| 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 | 36.7 | Very low | 44.2 | Very low | 218 Ų | 218 | 154 Ų | 154 | 100% | 1.074 | 81% | 0.805 | S | S | * | * | 0 | 63.4 | 0 | -58.8 | 174.9 | -172.1 | 0 | 0 | 106.2 | |||||
| 2 | E | 46.5 | Very low | 44.1 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | 60.8 | 136.1 | 62.4 | -63.6 | 152.5 | 117.1 | 0 | 0 | 109.9 | |||||
| 3 | E | 45.1 | Very low | 43.9 | Very low | 198 Ų | 198 | 151 Ų | 151 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | cis | -131.1 | 171.9 | 32.6 | -68.5 | 168.9 | 116.7 | 0 | 0 | 114.7 | ||||
| 4 | N | 47 | Very low | 43.8 | Very low | 154 Ų | 154 | 153.6 Ų | 153.6 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -132.8 | 113.4 | -179.5 | 168.9 | 101.1 | 0 | 0 | 0 | 108.3 | ||||
| 5 | D | 51 | Low | 43.4 | Very low | 132 Ų | 132 | 154.1 Ų | 154.1 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -159.6 | 168.7 | 164.8 | -151.4 | -87.2 | 0 | 0 | 0 | 113.2 | ||||
| 6 | H | 48.8 | Very low | 43.3 | Very low | 180 Ų | 180 | 156.4 Ų | 156.4 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | 91 | 117 | 170.8 | -49.7 | 93.3 | 0 | 0 | 0 | 118.8 | ||||
| 7 | G | 41.3 | Very low | 43 | Very low | 73 Ų | 73 | 153.4 Ų | 153.4 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 146.5 | 43.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 8 | N | 38.5 | Very low | 43.4 | Very low | 138 Ų | 138 | 150.8 Ų | 150.8 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | 54.8 | 114.4 | 96.4 | -172.3 | 34.3 | 0 | 0 | 0 | 115.9 | |||||
| 9 | R | 44.2 | Very low | 43.5 | Very low | 215 Ų | 215 | 149.2 Ų | 149.2 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | -178.7 | 125.5 | 119.4 | -98.3 | 179.9 | 165.8 | 144.8 | -1 | 113.3 | |||||
| 10 | D | 43.4 | Very low | 43.8 | Very low | 126 Ų | 126 | 151.8 Ų | 151.8 | 67% | 0.674 | 79% | 0.793 | S | S | * | * | trans | 45.7 | 119 | 145.2 | -49.8 | -56.7 | 0 | 0 | 0 | 119.4 | ||||
| 11 | A | 43.8 | Very low | 44 | Very low | 84 Ų | 84 | 149.9 Ų | 149.9 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | 58.3 | 127.7 | 60.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 12 | V | 43.3 | Very low | 44.5 | Very low | 137 Ų | 137 | 145.7 Ų | 145.7 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | cis | -166.4 | 168.9 | 4.6 | -98.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 13 | E | 41.6 | Very low | 44.7 | Very low | 132 Ų | 132 | 149.1 Ų | 149.1 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | cis | -153.8 | -166.4 | 0.3 | -132.8 | -162.9 | 158.8 | 0 | 0 | 109.9 | ||||
| 14 | R | 41.5 | Very low | 44.7 | Very low | 188 Ų | 188 | 144 Ų | 144 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | trans | 11.8 | 158.6 | 143.5 | -68.1 | -175.3 | -155 | -161.5 | 8 | 122.5 | ||||
| 15 | Q | 38.3 | Very low | 44.6 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | cis | 173.3 | 131 | -14.9 | 171 | 176.1 | -55.2 | 0 | 0 | 106.1 | ||||
| 16 | E | 41.6 | Very low | 44.5 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | trans | 157.4 | 155.9 | 165.4 | -95.3 | 164.2 | -163.8 | 0 | 0 | 108 | ||||
| 17 | S | 39 | Very low | 44.2 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | cis | -156.8 | 154.4 | -27.9 | 52.1 | 0 | 0 | 0 | 0 | 107.2 | D19 | S17-D19 PolarHBondContact O-N 3.37Š| ||
| 18 | A | 48.8 | Very low | 44.2 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | trans | -84.7 | 100.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 19 | D | 47.1 | Very low | 44.4 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 64% | 0.642 | 79% | 0.787 | S | S | * | * | trans | -158.3 | 97 | 153.9 | -146.8 | -45.1 | 0 | 0 | 0 | 112.6 | S17 N22 | S17-D19 PolarHBondContact O-N 3.37Å; D19-N22 PolarHBondContact OD1-ND2 2.87Å | ||
| 20 | E | 48.2 | Very low | 44.1 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | trans | -139.6 | 34.4 | 162.6 | -144.3 | 166.9 | 177.5 | 0 | 0 | 111.5 | ||||
| 21 | S | 49.4 | Very low | 44.1 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -103.9 | 38.9 | -179.3 | -167.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 22 | N | 46.1 | Very low | 43.9 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | trans | -137.1 | 45.7 | -172 | -84 | -62.4 | 0 | 0 | 0 | 114.6 | D19 A24 | D19-N22 PolarHBondContact OD1-ND2 2.87Å; N22-A24 PolarHBondContact O-N 2.84Å | ||
| 23 | R | 50.2 | Low | 43.6 | Very low | 249 Ų | 249 | 143.7 Ų | 143.7 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | trans | -77.4 | 101.4 | 160.4 | -87.1 | -166.1 | 171.3 | -139.3 | -2.5 | 110.2 | I25 | R23-I25 PolarHBondContact O-N 2.94Š| ||
| 24 | A | 45.5 | Very low | 43.9 | Very low | 89 Ų | 89 | 144 Ų | 144 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -51.2 | 129 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N22 | N22-A24 PolarHBondContact O-N 2.84Š| ||
| 25 | I | 45.8 | Very low | 44.1 | Very low | 163 Ų | 163 | 142.6 Ų | 142.6 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -81.8 | 113 | 164.9 | -62.2 | 172.8 | 0 | 0 | 0 | 107.3 | R23 P27 | R23-I25 PolarHBondContact O-N 2.94Å; I25-P27 WeakPolarHBondContact O-CD 3.41Å | ||
| 26 | L | 48.8 | Very low | 44.8 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | trans | -76.9 | 124.5 | 171.6 | -70 | 175.1 | 0 | 0 | 0 | 110.1 | L28 | L26-L28 PolarHBondContact O-N 2.95Š| ||
| 27 | P | 41.8 | Very low | 45.4 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -82.4 | 96.6 | 175 | 32.1 | -31.4 | 0 | 0 | 0 | 110 | I25 | I25-P27 WeakPolarHBondContact O-CD 3.41Š| ||
| 28 | L | 40.8 | Very low | 46.2 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 126 | 173.1 | -162.2 | 72.4 | 0 | 0 | 0 | 110.6 | L26 | L26-L28 PolarHBondContact O-N 2.95Š|
| 29 | L | 42.5 | Very low | 46.6 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 88% | 0.88 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67 | 152.7 | -172.8 | -130.9 | 66.7 | 0 | 0 | 0 | 113.9 | ||
| 30 | Q | 39.3 | Very low | 46.9 | Very low | 177 Ų | 177 | 144.7 Ų | 144.7 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -81 | 125.6 | -176.6 | 176 | 75.4 | 7.9 | 0 | 0 | 113 | ||
| 31 | A | 41.9 | Very low | 47.5 | Very low | 72 Ų | 72 | 141.5 Ų | 141.5 | 60% | 0.595 | 77% | 0.772 | S | S | * | * | trans | 38.6 | 140.2 | 147 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 32 | P | 41.1 | Very low | 48.3 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | -138.9 | 136.5 | 75.5 | 36.1 | -21.1 | 0 | 0 | 0 | 114.9 | |||||
| 33 | G | 36.1 | Very low | 49.5 | Very low | 69 Ų | 69 | 140.2 Ų | 140.2 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -168 | 77.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | L35 | G33-L35 PolarHBondContact O-N 3.34Š| ||
| 34 | N | 48.8 | Very low | 50.4 | Low | 140 Ų | 140 | 134.8 Ų | 134.8 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | trans | -72.5 | 73.8 | -177.6 | -174.9 | 13.3 | 0 | 0 | 0 | 111.8 | Q36 | N34-Q36 PolarHBondContact O-N 3.02Š| ||
| 35 | L | 46 | Very low | 52 | Low | 158 Ų | 158 | 134.7 Ų | 134.7 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | -90.6 | 92 | 162.3 | -79.8 | 163.9 | 0 | 0 | 0 | 108 | G33 I37 | G33-L35 PolarHBondContact O-N 3.34Å; L35-I37 PolarHBondContact O-N 3.24Å | ||
| 36 | Q | 51.3 | Low | 53.5 | Low | 163 Ų | 163 | 132.7 Ų | 132.7 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | trans | -54.6 | 110.3 | 165.3 | -63.1 | -176.5 | 30.6 | 0 | 0 | 108.1 | N34 P38 | N34-Q36 PolarHBondContact O-N 3.02Å; Q36-P38 WeakPolarHBondContact O-CD 3.28Å | ||
| 37 | I | 55.6 | Low | 54.9 | Low | 145 Ų | 145 | 130.6 Ų | 130.6 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | trans | -77.6 | 105.4 | 169.4 | -60.1 | 168.3 | 0 | 0 | 0 | 105.5 | L35 H39 | L35-I37 PolarHBondContact O-N 3.24Å; I37-H39 PolarHBondContact O-N 3.38Å | ||
| 38 | P | 56.3 | Low | 56.5 | Low | 78 Ų | 78 | 127.8 Ų | 127.8 | 51% | 0.506 | 68% | 0.684 | S | S | . | * | trans | -65.4 | 127.9 | 177.2 | 29 | -34 | 0 | 0 | 0 | 107.8 | Q36 R40 | Q36-P38 WeakPolarHBondContact O-CD 3.28Å; P38-R40 PolarHBondContact O-N 3.18Å | ||
| 39 | H | 56.1 | Low | 58.3 | Low | 177 Ų | 177 | 124 Ų | 124 | 82% | 0.819 | 66% | 0.664 | S | S | * | * | trans | -65.3 | 74.9 | 178.8 | -72.9 | -88.4 | 0 | 0 | 0 | 111.7 | I37 V41 | I37-H39 PolarHBondContact O-N 3.38Å; H39-V41 VanDerWaalsContact C-N 3.29Å; H39-V41 PolarHBondContact O-N 3.41Å | ||
| 40 | R | 53.1 | Low | 60.1 | Low | 164 Ų | 164 | 122.3 Ų | 122.3 | 62% | 0.619 | 66% | 0.655 | S | S | * | * | trans | -75.4 | 78.7 | 177.6 | -80 | -170.5 | 172.8 | -118.7 | 9 | 111.1 | P38 | P38-R40 PolarHBondContact O-N 3.18Š| ||
| 41 | V | 60.5 | Low | 62 | Low | 134 Ų | 134 | 120.3 Ų | 120.3 | 81% | 0.812 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -86.3 | -22.8 | 162.9 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | H39 | H39-V41 VanDerWaalsContact C-N 3.29Å; H39-V41 PolarHBondContact O-N 3.41Å |
| 42 | T | 67.7 | Low | 63.8 | Low | 79 Ų | 79 | 122.5 Ų | 122.5 | 49% | 0.485 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -145.4 | 172 | 178.1 | 74.1 | 0 | 0 | 0 | 0 | 111.1 | F44 | T42-F44 PolarHBondContact O-N 2.97Å; T42-F44 PolarHBondContact OG1-N 2.92Å |
| 43 | N | 70.3 | Confident | 65.4 | Low | 136 Ų | 136 | 119.3 Ų | 119.3 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -76.8 | 12.6 | 174.5 | -69.5 | -29.4 | 0 | 0 | 0 | 114.2 | ||
| 44 | F | 69.6 | Low | 67.4 | Low | 134 Ų | 134 | 121.3 Ų | 121.3 | 59% | 0.588 | 61% | 0.613 | S | S | * | * | trans | -105.1 | 125.9 | 174.2 | -59.8 | -81.4 | 0 | 0 | 0 | 110 | T42 | T42-F44 PolarHBondContact O-N 2.97Å; T42-F44 PolarHBondContact OG1-N 2.92Å | ||
| 45 | F | 79.6 | Confident | 68.4 | Low | 88 Ų | 88 | 118.1 Ų | 118.1 | 39% | 0.386 | 61% | 0.613 | S | S | . | * | trans | -74.9 | 156.1 | 167.9 | -60.8 | -88.3 | 0 | 0 | 0 | 110 | D47 N48 | F45-D47 PolarHBondContact O-N 3.41Å; F45-N48 PolarHBondContact N-ND2 3.13Å; F45-N48 WeakPolarHBondContact O-CB 3.5Å; F45-N48 PolarHBondContact O-N 2.92Å; F45-N48 VanDerWaalsContact O-N 3.08Å | ||
| 46 | I | 76 | Confident | 69.9 | Low | 120 Ų | 120 | 119.8 Ų | 119.8 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -57.8 | -41.6 | 173.5 | -62.8 | 172.3 | 0 | 0 | 0 | 109.3 | N48 I49 L50 | I46-N48 PolarHBondContact O-N 2.76Å; I46-I49 PolarHBondContact O-N 3.36Å; I46-L50 HydrophobicContact CG2-CD1 3.81Å; I46-L50 HydrophobicContact CG2-CG 4.36Å; I46-L50 PolarHBondContact O-N 2.66Å |
| 47 | D | 77.9 | Confident | 70.3 | Confident | 111 Ų | 111 | 120.3 Ų | 120.3 | 59% | 0.594 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -57.5 | -33.9 | 177.1 | -46.2 | -50.3 | 0 | 0 | 0 | 112.6 | F45 I49 L50 R51 | F45-D47 PolarHBondContact O-N 3.41Å; D47-I49 VanDerWaalsContact C-N 3.28Å; D47-I49 PolarHBondContact O-N 3.02Å; D47-L50 PolarHBondContact O-N 2.81Å; D47-R51 WeakPolarHBondContact O-CG 3.47Å; D47-R51 PolarHBondContact O-N 3.28Å |
| 48 | N | 76.6 | Confident | 70.6 | Confident | 58 Ų | 58 | 122.3 Ų | 122.3 | 31% | 0.31 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.7 | -33 | 177.6 | -67.7 | -5.5 | 0 | 0 | 0 | 112.2 | F45 I46 F54 | F45-N48 PolarHBondContact N-ND2 3.13Å; F45-N48 WeakPolarHBondContact O-CB 3.5Å; F45-N48 PolarHBondContact O-N 2.92Å; F45-N48 VanDerWaalsContact O-N 3.08Å; I46-N48 PolarHBondContact O-N 2.76Å; N48-F54 WeakPolarHBondContact O-CD2 3.31Å; N48-F54 WeakPolarHBondContact O-CG 3.25Å |
| 49 | I | 77.5 | Confident | 70.4 | Confident | 96 Ų | 96 | 125.1 Ų | 125.1 | 49% | 0.492 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -81.9 | -28.4 | -178.7 | -57.5 | 174.3 | 0 | 0 | 0 | 110.7 | I46 D47 F54 | I46-I49 PolarHBondContact O-N 3.36Å; D47-I49 VanDerWaalsContact C-N 3.28Å; D47-I49 PolarHBondContact O-N 3.02Å; I49-F54 HydrophobicContact CB-CD1 4.44Å; I49-F54 HydrophobicContact CB-CE1 4.26Å; I49-F54 HydrophobicContact CB-CZ 4.4Å; I49-F54 HydrophobicContact CG1-CE1 4.31Å; I49-F54 HydrophobicContact CG1-CE2 4.35Å; I49-F54 HydrophobicContact CG1-CZ 4Å; I49-F54 HydrophobicContact CG2-CD1 4.06Å; I49-F54 HydrophobicContact CG2-CE1 3.82Å; I49-F54 HydrophobicContact CG2-CZ 4.37Å; I49-F54 WeakPolarHBondContact O-CD1 3.33Å |
| 50 | L | 80.9 | Confident | 70.2 | Confident | 131 Ų | 131 | 122.1 Ų | 122.1 | 69% | 0.686 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -84.3 | -5.7 | 180 | -66.6 | 174.6 | 0 | 0 | 0 | 114.1 | I46 D47 | I46-L50 HydrophobicContact CG2-CD1 3.81Å; I46-L50 HydrophobicContact CG2-CG 4.36Å; I46-L50 PolarHBondContact O-N 2.66Å; D47-L50 PolarHBondContact O-N 2.81Å |
| 51 | R | 80.3 | Confident | 69.5 | Low | 136 Ų | 136 | 117.5 Ų | 117.5 | 51% | 0.513 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -65.1 | 138.4 | 179.2 | -49 | -177.4 | 63.7 | -111.7 | -0.6 | 110.4 | D47 D53 F54 | D47-R51 WeakPolarHBondContact O-CG 3.47Å; D47-R51 PolarHBondContact O-N 3.28Å; R51-D53 WeakPolarHBondContact CB-OD1 3.49Å; R51-D53 IonicContact CZ-OD1 3.32Å; R51-D53 IonicContact CZ-OD2 3.43Å; R51-D53 IonicContact NE-OD1 3.89Å; R51-D53 IonicContact NH1-OD1 2.85Å; R51-D53 PolarHBondContact NH1-OD1 3.29Å; R51-D53 IonicContact NH1-OD2 2.71Å; R51-D53 PolarHBondContact NH1-OD2 2.97Å; R51-D53 IonicContact NH2-OD1 3.85Å; R51-D53 IonicContact NH2-OD2 3.46Å; R51-D53 PolarHBondContact NH2-OD2 3.3Å; R51-D53 PolarHBondContact O-N 3.08Å; R51-F54 VanDerWaalsContact O-CB 3.28Å; R51-F54 WeakPolarHBondContact O-CB 3.5Å; R51-F54 PolarHBondContact O-N 3.46Å |
| 52 | P | 78.4 | Confident | 68.8 | Low | 118 Ų | 118 | 116 Ų | 116 | 77% | 0.766 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -18.8 | -179.1 | -25.9 | 34.8 | 0 | 0 | 0 | 115.5 | R56 | P52-R56 PolarHBondContact O-NE 3.44Š|
| 53 | D | 74.9 | Confident | 67.5 | Low | 71 Ų | 71 | 120.6 Ų | 120.6 | 38% | 0.38 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.7 | -2.6 | 176.4 | 63.7 | -22.2 | 0 | 0 | 0 | 113.7 | R51 G55 R56 | R51-D53 WeakPolarHBondContact CB-OD1 3.49Å; R51-D53 IonicContact CZ-OD1 3.32Å; R51-D53 IonicContact CZ-OD2 3.43Å; R51-D53 IonicContact NE-OD1 3.89Å; R51-D53 IonicContact NH1-OD1 2.85Å; R51-D53 PolarHBondContact NH1-OD1 3.29Å; R51-D53 IonicContact NH1-OD2 2.71Å; R51-D53 PolarHBondContact NH1-OD2 2.97Å; R51-D53 IonicContact NH2-OD1 3.85Å; R51-D53 IonicContact NH2-OD2 3.46Å; R51-D53 PolarHBondContact NH2-OD2 3.3Å; R51-D53 PolarHBondContact O-N 3.08Å; D53-G55 PolarHBondContact O-N 3.01Å; D53-R56 WeakPolarHBondContact O-CB 3.09Å; D53-R56 PolarHBondContact O-N 3.03Å |
| 54 | F | 77.6 | Confident | 66.2 | Low | 110 Ų | 110 | 124.5 Ų | 124.5 | 48% | 0.482 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.6 | 129 | 178.5 | -171.7 | -104.9 | 0 | 0 | 0 | 111.2 | N48 I49 R51 R56 | N48-F54 WeakPolarHBondContact O-CD2 3.31Å; N48-F54 WeakPolarHBondContact O-CG 3.25Å; I49-F54 HydrophobicContact CB-CD1 4.44Å; I49-F54 HydrophobicContact CB-CE1 4.26Å; I49-F54 HydrophobicContact CB-CZ 4.4Å; I49-F54 HydrophobicContact CG1-CE1 4.31Å; I49-F54 HydrophobicContact CG1-CE2 4.35Å; I49-F54 HydrophobicContact CG1-CZ 4Å; I49-F54 HydrophobicContact CG2-CD1 4.06Å; I49-F54 HydrophobicContact CG2-CE1 3.82Å; I49-F54 HydrophobicContact CG2-CZ 4.37Å; I49-F54 WeakPolarHBondContact O-CD1 3.33Å; R51-F54 VanDerWaalsContact O-CB 3.28Å; R51-F54 WeakPolarHBondContact O-CB 3.5Å; R51-F54 PolarHBondContact O-N 3.46Å; F54-R56 PolarHBondContact O-N 2.99Å |
| 55 | G | 70.1 | Confident | 64.5 | Low | 74 Ų | 74 | 125.6 Ų | 125.6 | 76% | 0.763 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.7 | -6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D53 K57 | D53-G55 PolarHBondContact O-N 3.01Å; G55-K57 PolarHBondContact O-N 3.05Å |
| 56 | R | 77.1 | Confident | 62.6 | Low | 192 Ų | 192 | 129.1 Ų | 129.1 | 73% | 0.725 | 67% | 0.671 | S | S | * | * | trans | -82 | 95.8 | 171.7 | -56.9 | -170.5 | -169.2 | -114.1 | 0 | 109.6 | P52 D53 F54 K58 | P52-R56 PolarHBondContact O-NE 3.44Å; D53-R56 WeakPolarHBondContact O-CB 3.09Å; D53-R56 PolarHBondContact O-N 3.03Å; F54-R56 PolarHBondContact O-N 2.99Å; R56-K58 PolarHBondContact O-N 3.07Å | ||
| 57 | K | 61 | Low | 60.7 | Low | 175 Ų | 175 | 128.8 Ų | 128.8 | 76% | 0.761 | 68% | 0.68 | S | S | * | * | trans | -55.7 | 119.7 | 167.8 | 41.3 | 169.4 | 177.3 | 163.9 | 0 | 109.7 | G55 D59 | G55-K57 PolarHBondContact O-N 3.05Å; K57-D59 PolarHBondContact O-N 3.48Å | ||
| 58 | K | 60.3 | Low | 58.7 | Low | 186 Ų | 186 | 128 Ų | 128 | 81% | 0.809 | 68% | 0.683 | S | S | * | * | trans | -87 | 92.5 | 179.4 | -166.9 | -176.6 | -177.3 | 176.5 | 0 | 109.1 | R56 V60 | R56-K58 PolarHBondContact O-N 3.07Å; K58-V60 VanDerWaalsContact C-N 3.32Å; K58-V60 HydrophobicContact CB-CG2 4.45Å; K58-V60 HydrophobicContact CD-CG2 3.75Å; K58-V60 HydrophobicContact CG-CG2 3.69Å; K58-V60 PolarHBondContact O-N 3.17Å | ||
| 59 | D | 53.9 | Low | 57.3 | Low | 138 Ų | 138 | 131.3 Ų | 131.3 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | trans | -69.2 | 89.2 | 169.1 | -65.9 | -57.8 | 0 | 0 | 0 | 108.8 | K57 G61 | K57-D59 PolarHBondContact O-N 3.48Å; D59-G61 PolarHBondContact O-N 3.17Å; D59-G61 VanDerWaalsContact O-N 3.1Å | ||
| 60 | V | 51.6 | Low | 55.4 | Low | 114 Ų | 114 | 130.9 Ų | 130.9 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | trans | -80.6 | 88.7 | 176.6 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | K58 | K58-V60 VanDerWaalsContact C-N 3.32Å; K58-V60 HydrophobicContact CB-CG2 4.45Å; K58-V60 HydrophobicContact CD-CG2 3.75Å; K58-V60 HydrophobicContact CG-CG2 3.69Å; K58-V60 PolarHBondContact O-N 3.17Å | ||
| 61 | G | 38.6 | Very low | 53.1 | Low | 66 Ų | 66 | 130.9 Ų | 130.9 | 68% | 0.68 | 73% | 0.729 | S | S | * | * | trans | -60.4 | 145.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111 | D59 | D59-G61 PolarHBondContact O-N 3.17Å; D59-G61 VanDerWaalsContact O-N 3.1Å | ||
| 62 | A | 45.6 | Very low | 51.1 | Low | 104 Ų | 104 | 136 Ų | 136 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -69.2 | 137.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 63 | H | 40.4 | Very low | 49 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -135.5 | 124.6 | 152.2 | -147.6 | -78.2 | 0 | 0 | 0 | 108.4 | ||||
| 64 | R | 41.5 | Very low | 47.1 | Very low | 217 Ų | 217 | 140.8 Ų | 140.8 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | trans | -81.5 | 146.7 | 165.5 | -60 | 168.5 | 82.7 | -152.1 | 7.2 | 106.8 | ||||
| 65 | D | 34.3 | Very low | 45 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | -166.9 | 162.3 | 116.9 | -93.8 | -31.6 | 0 | 0 | 0 | 110.4 | |||||
| 66 | E | 40.9 | Very low | 43.2 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -124.3 | 137.9 | -160.5 | -175.2 | -96.8 | 118.5 | 0 | 0 | 110.8 | S68 | E66-S68 PolarHBondContact OE1-N 3.3Å; E66-S68 VanDerWaalsContact OE1-N 3.15Å | ||
| 67 | S | 34.6 | Very low | 41.2 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -163.5 | 107.1 | 154.1 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 68 | S | 37.3 | Very low | 40.7 | Very low | 95 Ų | 95 | 141.5 Ų | 141.5 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | trans | -76.7 | 168.3 | 163.4 | -155.8 | 0 | 0 | 0 | 0 | 111 | E66 | E66-S68 PolarHBondContact OE1-N 3.3Å; E66-S68 VanDerWaalsContact OE1-N 3.15Å | ||
| 69 | P | 46.6 | Very low | 39.3 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | -146.8 | 167.8 | 86.2 | 36.5 | -17.7 | 0 | 0 | 0 | 117.2 | |||||
| 70 | A | 37.1 | Very low | 38.5 | Very low | 87 Ų | 87 | 135 Ų | 135 | 72% | 0.719 | 80% | 0.799 | S | S | * | * | trans | -59.6 | 162.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 71 | S | 33.4 | Very low | 38.3 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -149.4 | 145.5 | 143.4 | -78.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 72 | R | 38.7 | Very low | 38.1 | Very low | 244 Ų | 244 | 141 Ų | 141 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | -139.3 | 123.8 | -164.9 | 169.2 | -167.5 | 179.4 | -156.7 | 2 | 109.1 | ||||
| 73 | E | 33.2 | Very low | 37.6 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -143.8 | 160.9 | 161 | -166.1 | 145.1 | 100.9 | 0 | 0 | 111.9 | ||||
| 74 | S | 34.5 | Very low | 37.4 | Very low | 97 Ų | 97 | 141.1 Ų | 141.1 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -141.8 | 143.9 | -160.6 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 75 | R | 35.3 | Very low | 38.1 | Very low | 244 Ų | 244 | 135.7 Ų | 135.7 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | 175.7 | 137 | 159.6 | -91.1 | 143.7 | -162.5 | -104.8 | 9 | 107.1 | ||||
| 76 | G | 30.5 | Very low | 38.1 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | cis | -173.4 | 165.5 | -7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 77 | S | 36.7 | Very low | 37.6 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -83.3 | 170.3 | 178.6 | -48.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 78 | P | 49.6 | Very low | 37.4 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | -132.1 | 141 | 91 | 11.8 | 10.6 | 0 | 0 | 0 | 112.6 | |||||
| 79 | A | 31.5 | Very low | 37.2 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | 90.2 | 131.9 | 68.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 80 | A | 36.1 | Very low | 36.7 | Very low | 89 Ų | 89 | 133.1 Ų | 133.1 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | trans | -98.2 | -172.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 81 | P | 47.5 | Very low | 37.4 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | -134.7 | 171.8 | 112.3 | 37.9 | -28.1 | 0 | 0 | 0 | 115.9 | |||||
| 82 | Q | 34.6 | Very low | 37.6 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | -92.3 | 177.4 | -171.9 | -57.7 | 165.4 | 21 | 0 | 0 | 110.5 | ||||
| 83 | T | 35.1 | Very low | 37.2 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | cis | -168 | 132.7 | 49.1 | 49.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 84 | E | 35.6 | Very low | 37.1 | Very low | 165 Ų | 165 | 122.8 Ų | 122.8 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | 44.1 | 171 | 122.3 | -56.8 | -58.3 | 127.6 | 0 | 0 | 122.7 | |||||
| 85 | P | 57.9 | Low | 36.9 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | -143.6 | 166.3 | -82.8 | 41.2 | -21.5 | 0 | 0 | 0 | 116.7 | |||||
| 86 | V | 32.9 | Very low | 36.7 | Very low | 155 Ų | 155 | 118 Ų | 118 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | trans | -167.2 | 140.3 | 146.1 | -172.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 87 | G | 30.3 | Very low | 36.9 | Very low | 63 Ų | 63 | 120.7 Ų | 120.7 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | cis | 158.3 | 142.7 | -6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 88 | S | 32.1 | Very low | 37.4 | Very low | 119 Ų | 119 | 119.5 Ų | 119.5 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 60.3 | 146.3 | 169.2 | -67.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 89 | T | 32.8 | Very low | 36.6 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | cis | -155.3 | 144.3 | -1.3 | 4.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 90 | V | 34.8 | Very low | 36.4 | Very low | 132 Ų | 132 | 122.8 Ų | 122.8 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | -86.5 | -168.3 | 163.8 | -70.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 91 | P | 52 | Low | 36.1 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -146.2 | -173.4 | 5.1 | 40.3 | -17.6 | 0 | 0 | 0 | 118 | ||||
| 92 | A | 37.7 | Very low | 35.3 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | trans | 63.7 | 156.5 | 136.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 93 | E | 31 | Very low | 35.1 | Very low | 188 Ų | 188 | 119.3 Ų | 119.3 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | cis | -161.7 | 172.8 | -10 | -109.5 | 168 | 138.9 | 0 | 0 | 105.6 | ||||
| 94 | G | 31.3 | Very low | 35.3 | Very low | 59 Ų | 59 | 120.5 Ų | 120.5 | 61% | 0.608 | 76% | 0.763 | S | S | * | * | cis | 146.3 | 161 | 6.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 95 | T | 30 | Very low | 35 | Very low | 134 Ų | 134 | 122.1 Ų | 122.1 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 74.6 | 142.7 | 158.9 | -47.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 96 | S | 30.7 | Very low | 33.6 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | cis | -151.9 | 153 | 18.5 | 0.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 97 | T | 34.1 | Very low | 33.9 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | trans | -83.3 | -173.6 | 151.9 | 32 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 98 | P | 48.9 | Very low | 34.1 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 60% | 0.597 | 77% | 0.772 | S | S | * | * | cis | -136.2 | -173.6 | 3.5 | 30.3 | -5.6 | 0 | 0 | 0 | 115.5 | ||||
| 99 | H | 31.4 | Very low | 33.9 | Very low | 172 Ų | 172 | 129.8 Ų | 129.8 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | 165.5 | 138 | 118.8 | -83.8 | -66.1 | 0 | 0 | 0 | 115.9 | |||||
| 100 | T | 28 | Very low | 33.7 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -42.3 | 151.3 | 170.4 | 40.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 101 | V | 30.1 | Very low | 33.6 | Very low | 126 Ų | 126 | 127 Ų | 127 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | 178.3 | 134.4 | 114.5 | 139.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 102 | T | 30.9 | Very low | 32.5 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 42.1 | 138.6 | 156.5 | 63.7 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 103 | G | 29.8 | Very low | 32 | Very low | 66 Ų | 66 | 132.9 Ų | 132.9 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | -89.1 | -168 | 153.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 104 | P | 39 | Very low | 31.9 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 92% | 0.922 | 77% | 0.765 | S | S | * | * | -144.9 | -176.3 | 102.8 | 38.5 | -22.9 | 0 | 0 | 0 | 116 | |||||
| 105 | K | 30 | Very low | 32 | Very low | 199 Ų | 199 | 132.7 Ų | 132.7 | 87% | 0.865 | 78% | 0.778 | S | S | * | * | trans | -108.2 | 162.2 | -170.9 | -65.4 | 171.9 | 170.5 | 172 | 0 | 113.9 | ||||
| 106 | K | 28.1 | Very low | 32.2 | Very low | 194 Ų | 194 | 135.7 Ų | 135.7 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 70.2 | 170.9 | 145.2 | -98.9 | -158.9 | 173.6 | -174.7 | 0 | 116.7 | ||||
| 107 | P | 39.5 | Very low | 32.8 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | cis | -127.4 | 177 | 12.4 | 41.3 | -25.1 | 0 | 0 | 0 | 117.5 | ||||
| 108 | A | 34.3 | Very low | 32.5 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -112.8 | 153.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 109 | K | 28.2 | Very low | 31.6 | Very low | 201 Ų | 201 | 134.9 Ų | 134.9 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -147.3 | 137.5 | 156.4 | -71.2 | -169.1 | 175.1 | -174.1 | 0 | 106.4 | ||||
| 110 | A | 28.7 | Very low | 31.6 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | cis | 84.4 | 93.1 | 26.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 111 | A | 32 | Very low | 32 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -176 | 157.6 | 144.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 112 | E | 28.2 | Very low | 32.3 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | cis | 164.7 | 151 | -27.6 | -138 | -81.3 | 93.1 | 0 | 0 | 104.7 | ||||
| 113 | E | 28.9 | Very low | 32.6 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | 58.1 | 157.6 | 172.7 | -87.1 | -153.3 | 95.1 | 0 | 0 | 119.5 | ||||
| 114 | S | 28.8 | Very low | 32.8 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 52% | 0.524 | 80% | 0.799 | S | S | . | * | cis | -159.2 | 151.2 | -16.5 | -128.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 115 | L | 33.3 | Very low | 32.6 | Very low | 167 Ų | 167 | 138 Ų | 138 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 63.4 | 140.2 | 148.5 | -61 | 166.1 | 0 | 0 | 0 | 123.5 | ||||
| 116 | K | 33.8 | Very low | 33.1 | Very low | 198 Ų | 198 | 135.7 Ų | 135.7 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -78.2 | -173.8 | 168.2 | -76 | -178.5 | 171.1 | 178.8 | 0 | 111.5 | ||||
| 117 | P | 42.7 | Very low | 33.7 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | cis | -141.2 | -177.4 | 4.4 | 40.2 | -20 | 0 | 0 | 0 | 118.2 | ||||
| 118 | S | 27.9 | Very low | 33.9 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | 87.6 | 139.6 | 146.7 | -147.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 119 | G | 31 | Very low | 34.3 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 159.4 | 60 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 120 | E | 31.3 | Very low | 35.5 | Very low | 190 Ų | 190 | 129.8 Ų | 129.8 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -75.9 | 128.9 | -175.9 | -173.2 | 178.7 | 114.3 | 0 | 0 | 112.1 | ||||
| 121 | S | 36.6 | Very low | 36.2 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -161.6 | 105.7 | 157.7 | -151.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 122 | G | 34.7 | Very low | 36.9 | Very low | 61 Ų | 61 | 132.7 Ų | 132.7 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | -109.1 | 104.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q124 | G122-Q124 PolarHBondContact O-N 3.07Š| ||
| 123 | D | 37 | Very low | 38 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | trans | -90.7 | 92.2 | 167.4 | -78.6 | -52.5 | 0 | 0 | 0 | 110.2 | C125 | D123-C125 PolarHBondContact O-N 3.37Š| ||
| 124 | Q | 35.1 | Very low | 38.9 | Very low | 173 Ų | 173 | 131.5 Ų | 131.5 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | -80.1 | 99.9 | 173.2 | -61.7 | 174.3 | 48.4 | 0 | 0 | 109.2 | G122 L126 | G122-Q124 PolarHBondContact O-N 3.07Å; Q124-L126 PolarHBondContact O-N 3.47Å | ||
| 125 | C | 35.6 | Very low | 39.3 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -88.7 | 106.8 | 169 | -158.9 | 0 | 0 | 0 | 0 | 109.4 | D123 S127 | D123-C125 PolarHBondContact O-N 3.37Å; C125-S127 PolarHBondContact O-N 2.72Å | ||
| 126 | L | 39.9 | Very low | 40 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -70.2 | 115.5 | -175.9 | -61.7 | 169.4 | 0 | 0 | 0 | 111.1 | Q124 S128 | Q124-L126 PolarHBondContact O-N 3.47Å; L126-S128 PolarHBondContact O-N 3.37Å | ||
| 127 | S | 39.7 | Very low | 40.5 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -73.5 | 105.4 | 161.6 | -66.2 | 0 | 0 | 0 | 0 | 108.8 | C125 | C125-S127 PolarHBondContact O-N 2.72Š| ||
| 128 | S | 45.3 | Very low | 40.7 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -97.7 | 92.5 | 170.5 | -169.1 | 0 | 0 | 0 | 0 | 109.1 | L126 S130 | L126-S128 PolarHBondContact O-N 3.37Å; S128-S130 PolarHBondContact O-N 3.05Å | ||
| 129 | D | 41.6 | Very low | 41.8 | Very low | 157 Ų | 157 | 129 Ų | 129 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -67.6 | 120.8 | 159.7 | -75.6 | -73.8 | 0 | 0 | 0 | 107.9 | ||||
| 130 | S | 52.7 | Low | 42.6 | Very low | 104 Ų | 104 | 130.3 Ų | 130.3 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -134.1 | 96.9 | 172.9 | -76.3 | 0 | 0 | 0 | 0 | 109.3 | S128 | S128-S130 PolarHBondContact O-N 3.05Š| ||
| 131 | D | 44.2 | Very low | 43.5 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -71.3 | 129.5 | 165 | 173.5 | 47.4 | 0 | 0 | 0 | 110.1 | ||||
| 132 | S | 47.3 | Very low | 44.7 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -168.9 | 149.3 | 152.8 | -89.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 133 | S | 51.4 | Low | 45.7 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | -95.4 | 156.1 | -164.7 | -70.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 134 | Q | 47.7 | Very low | 46.9 | Very low | 193 Ų | 193 | 131.5 Ų | 131.5 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | 56.1 | 113.5 | 152.9 | -69.3 | 179.2 | 74.9 | 0 | 0 | 120 | ||||
| 135 | A | 37.3 | Very low | 48.3 | Very low | 105 Ų | 105 | 130 Ų | 130 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | -152 | 132.1 | 142.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 136 | S | 46.4 | Very low | 50 | Low | 121 Ų | 121 | 130.7 Ų | 130.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -100.1 | 133 | 178.1 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 137 | S | 44.4 | Very low | 51.5 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 178 | 156.1 | 143.7 | 38.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 138 | N | 48.1 | Very low | 53.3 | Low | 147 Ų | 147 | 124.4 Ų | 124.4 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | trans | 67.3 | 107.4 | 170.1 | -76.4 | -1.1 | 0 | 0 | 0 | 120.9 | ||||
| 139 | P | 49.7 | Very low | 54.2 | Low | 138 Ų | 138 | 122.8 Ų | 122.8 | 90% | 0.896 | 74% | 0.735 | S | S | * | * | trans | -98.5 | 77.1 | 153.1 | 36.6 | -27 | 0 | 0 | 0 | 110.6 | ||||
| 140 | S | 48.6 | Very low | 55.8 | Low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | trans | -137.6 | 76 | 171.7 | -174.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 141 | M | 50.9 | Low | 57 | Low | 166 Ų | 166 | 120.4 Ų | 120.4 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -167.8 | 128.2 | 157.3 | -99.4 | -62.4 | -179.4 | 0 | 0 | 105.5 | Q143 | M141-Q143 VanDerWaalsContact C-N 3.34Å; M141-Q143 PolarHBondContact O-N 3.4Å |
| 142 | S | 61.1 | Low | 58.1 | Low | 115 Ų | 115 | 116 Ų | 116 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -66.8 | 91.7 | 176 | 40.5 | 0 | 0 | 0 | 0 | 109.8 | P144 | S142-P144 VanDerWaalsContact O-CD 3.23Å; S142-P144 WeakPolarHBondContact O-CD 3.43Å | ||
| 143 | Q | 55.2 | Low | 59.1 | Low | 168 Ų | 168 | 114.8 Ų | 114.8 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -54.9 | 112.9 | 172.9 | -76.7 | -69.3 | -13.5 | 0 | 0 | 108.5 | M141 M145 | M141-Q143 VanDerWaalsContact C-N 3.34Å; M141-Q143 PolarHBondContact O-N 3.4Å; Q143-M145 PolarHBondContact O-N 2.85Å | ||
| 144 | P | 62.6 | Low | 59.8 | Low | 97 Ų | 97 | 113.9 Ų | 113.9 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | trans | -63.2 | 125.4 | 176.4 | 26.8 | -32.4 | 0 | 0 | 0 | 106.8 | S142 L146 | S142-P144 VanDerWaalsContact O-CD 3.23Å; S142-P144 WeakPolarHBondContact O-CD 3.43Å; P144-L146 PolarHBondContact O-N 3.07Å | ||
| 145 | M | 64.4 | Low | 60.1 | Low | 141 Ų | 141 | 112.5 Ų | 112.5 | 70% | 0.695 | 64% | 0.64 | S | S | * | * | trans | -58.5 | 96.7 | -171 | -164.9 | 171.3 | 78.3 | 0 | 0 | 110.2 | Q143 W147 | Q143-M145 PolarHBondContact O-N 2.85Å; M145-W147 HydrophobicContact CE-CH2 4.22Å; M145-W147 HydrophobicContact CE-CZ2 3.9Å; M145-W147 PolarHBondContact O-N 3.3Å; M145-W147 VanDerWaalsContact O-N 3.14Å | ||
| 146 | L | 71.9 | Confident | 60.8 | Low | 143 Ų | 143 | 110.6 Ų | 110.6 | 75% | 0.749 | 61% | 0.611 | S | S | * | * | trans | -81.3 | 104.4 | -165.1 | -159.4 | 75.8 | 0 | 0 | 0 | 108.5 | P144 Y152 | P144-L146 PolarHBondContact O-N 3.07Å; L146-Y152 HydrophobicContact CD1-CE2 4.37Å; L146-Y152 HydrophobicContact CG-CE2 4.37Å | ||
| 147 | W | 71.1 | Confident | 61.4 | Low | 63 Ų | 63 | 105.9 Ų | 105.9 | 24% | 0.239 | 58% | 0.578 | C | S | . | * | trans | -59.9 | 149 | -178.2 | -66.8 | 89.8 | 0 | 0 | 0 | 111.3 | M145 A149 V151 Y152 | M145-W147 HydrophobicContact CE-CH2 4.22Å; M145-W147 HydrophobicContact CE-CZ2 3.9Å; M145-W147 PolarHBondContact O-N 3.3Å; M145-W147 VanDerWaalsContact O-N 3.14Å; W147-A149 PolarHBondContact O-N 3.38Å; W147-V151 HydrophobicContact CB-CB 3.98Å; W147-V151 HydrophobicContact CB-CG1 4.06Å; W147-V151 HydrophobicContact CB-CG2 4.17Å; W147-V151 HydrophobicContact CG-CG1 4.45Å; W147-Y152 HydrophobicContact CB-CD2 4.46Å; W147-Y152 HydrophobicContact CB-CE2 3.75Å; W147-Y152 WeakPolarHBondContact O-CD2 3.18Å; W147-Y152 WeakPolarHBondContact O-CE2 3.45Å | ||
| 148 | P | 77.8 | Confident | 61.8 | Low | 73 Ų | 73 | 107.4 Ų | 107.4 | 47% | 0.474 | 58% | 0.578 | S | S | . | * | trans | -52 | 141.3 | 178.4 | -28.9 | 36 | 0 | 0 | 0 | 112.3 | W150 V151 | P148-W150 PolarHBondContact O-N 2.81Å; P148-V151 VanDerWaalsContact O-CB 3.32Å; P148-V151 WeakPolarHBondContact O-CB 3.44Å; P148-V151 WeakPolarHBondContact O-CG2 3.38Å; P148-V151 PolarHBondContact O-N 3.25Å | ||
| 149 | A | 63.2 | Low | 62.2 | Low | 67 Ų | 67 | 105.5 Ų | 105.5 | 55% | 0.554 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -52.7 | -29.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 115 | W147 V151 Y152 C153 | W147-A149 PolarHBondContact O-N 3.38Å; A149-V151 VanDerWaalsContact C-N 3.26Å; A149-V151 PolarHBondContact O-N 2.67Å; A149-Y152 PolarHBondContact O-N 2.81Å; A149-Y152 VanDerWaalsContact O-N 3.15Å; A149-C153 PolarHBondContact O-N 3.12Å; A149-C153 VanDerWaalsContact O-N 3.11Å; A149-C153 PolarHBondContact O-SG 2.91Å |
| 150 | W | 76.4 | Confident | 62.6 | Low | 192 Ų | 192 | 105.6 Ų | 105.6 | 73% | 0.727 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.1 | -30.5 | 175.7 | 70.7 | -99.6 | 0 | 0 | 0 | 113.5 | P148 Y152 C153 | P148-W150 PolarHBondContact O-N 2.81Å; W150-Y152 VanDerWaalsContact C-N 3.32Å; W150-C153 PolarHBondContact O-N 3.23Å |
| 151 | V | 77.3 | Confident | 62.8 | Low | 19 Ų | 19 | 105.9 Ų | 105.9 | 12% | 0.115 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -65.8 | -37 | 175.7 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | W147 P148 A149 S157 | W147-V151 HydrophobicContact CB-CB 3.98Å; W147-V151 HydrophobicContact CB-CG1 4.06Å; W147-V151 HydrophobicContact CB-CG2 4.17Å; W147-V151 HydrophobicContact CG-CG1 4.45Å; P148-V151 VanDerWaalsContact O-CB 3.32Å; P148-V151 WeakPolarHBondContact O-CB 3.44Å; P148-V151 WeakPolarHBondContact O-CG2 3.38Å; P148-V151 PolarHBondContact O-N 3.25Å; A149-V151 VanDerWaalsContact C-N 3.26Å; A149-V151 PolarHBondContact O-N 2.67Å; V151-S157 PolarHBondContact O-OG 3.04Å |
| 152 | Y | 67.3 | Low | 63 | Low | 55 Ų | 55 | 101.3 Ų | 101.3 | 22% | 0.216 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -86.2 | -5.7 | 177.4 | -64.3 | -65.2 | 0 | 0 | 0 | 114.9 | L146 W147 A149 W150 S157 | L146-Y152 HydrophobicContact CD1-CE2 4.37Å; L146-Y152 HydrophobicContact CG-CE2 4.37Å; W147-Y152 HydrophobicContact CB-CD2 4.46Å; W147-Y152 HydrophobicContact CB-CE2 3.75Å; W147-Y152 WeakPolarHBondContact O-CD2 3.18Å; W147-Y152 WeakPolarHBondContact O-CE2 3.45Å; A149-Y152 PolarHBondContact O-N 2.81Å; A149-Y152 VanDerWaalsContact O-N 3.15Å; W150-Y152 VanDerWaalsContact C-N 3.32Å; Y152-S157 VanDerWaalsContact C-OG 3.3Å; Y152-S157 WeakPolarHBondContact CA-OG 3.35Å; Y152-S157 PolarHBondContact O-OG 3.34Å |
| 153 | C | 68.8 | Low | 63 | Low | 93 Ų | 93 | 98.3 Ų | 98.3 | 63% | 0.628 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | 7.7 | 176.6 | -70.3 | 0 | 0 | 0 | 0 | 112.7 | A149 W150 | A149-C153 PolarHBondContact O-N 3.12Å; A149-C153 VanDerWaalsContact O-N 3.11Å; A149-C153 PolarHBondContact O-SG 2.91Å; W150-C153 PolarHBondContact O-N 3.23Å |
| 154 | T | 66.9 | Low | 63.1 | Low | 77 Ų | 77 | 96.7 Ų | 96.7 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -81.3 | 158.5 | 175.4 | -140.1 | 0 | 0 | 0 | 0 | 111.5 | Y156 S157 | T154-Y156 PolarHBondContact O-N 3.18Å; T154-S157 WeakPolarHBondContact CG2-OG 3.24Å; T154-S157 PolarHBondContact N-OG 2.91Å; T154-S157 PolarHBondContact O-N 3.11Å; T154-S157 PolarHBondContact O-OG 2.91Å |
| 155 | R | 53.9 | Low | 62.7 | Low | 163 Ų | 163 | 102.5 Ų | 102.5 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 9.6 | -175.6 | 73.6 | -179.1 | -179.2 | 93.2 | -1.7 | 116 | ||
| 156 | Y | 51.7 | Low | 62.4 | Low | 66 Ų | 66 | 100.9 Ų | 100.9 | 26% | 0.259 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.7 | 2.2 | -172 | -71.9 | -65.9 | 0 | 0 | 0 | 113 | T154 D158 N254 | T154-Y156 PolarHBondContact O-N 3.18Å; Y156-D158 PolarHBondContact O-N 3.47Å; Y156-N254 HydrophobicContact CD1-CB 3.89Å; Y156-N254 HydrophobicContact CE1-CB 4.02Å |
| 157 | S | 58.4 | Low | 61.8 | Low | 21 Ų | 21 | 103.2 Ų | 103.2 | 15% | 0.147 | 55% | 0.548 | C | S | . | . | trans | -82.5 | 108.1 | 176.3 | -29.6 | 0 | 0 | 0 | 0 | 108.9 | V151 Y152 T154 R159 | V151-S157 PolarHBondContact O-OG 3.04Å; Y152-S157 VanDerWaalsContact C-OG 3.3Å; Y152-S157 WeakPolarHBondContact CA-OG 3.35Å; Y152-S157 PolarHBondContact O-OG 3.34Å; T154-S157 WeakPolarHBondContact CG2-OG 3.24Å; T154-S157 PolarHBondContact N-OG 2.91Å; T154-S157 PolarHBondContact O-N 3.11Å; T154-S157 PolarHBondContact O-OG 2.91Å; S157-R159 VanDerWaalsContact C-N 3.25Å; S157-R159 PolarHBondContact O-N 2.97Å | ||
| 158 | D | 53.4 | Low | 61.2 | Low | 147 Ų | 147 | 109.2 Ų | 109.2 | 79% | 0.786 | 58% | 0.576 | S | S | * | * | trans | -72.6 | 86.7 | 169.6 | -72 | -44.1 | 0 | 0 | 0 | 109.1 | Y156 | Y156-D158 PolarHBondContact O-N 3.47Š| ||
| 159 | R | 56.8 | Low | 60.2 | Low | 107 Ų | 107 | 111.3 Ų | 111.3 | 40% | 0.404 | 59% | 0.59 | S | S | . | * | trans | -83.7 | 119.6 | 179.1 | -161.9 | 169.9 | -170.9 | 164.3 | -1.2 | 107.8 | S157 S161 S162 | S157-R159 VanDerWaalsContact C-N 3.25Å; S157-R159 PolarHBondContact O-N 2.97Å; R159-S161 PolarHBondContact O-N 3.26Å; R159-S162 PolarHBondContact O-N 3.36Å | ||
| 160 | P | 56.4 | Low | 59.9 | Low | 139 Ų | 139 | 117.3 Ų | 117.3 | 90% | 0.903 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -11.3 | -171 | 22.9 | -33.9 | 0 | 0 | 0 | 115 | ||
| 161 | S | 53.2 | Low | 58.9 | Low | 111 Ų | 111 | 117.3 Ų | 117.3 | 78% | 0.776 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -9.8 | 174.5 | 161.8 | 0 | 0 | 0 | 0 | 113.9 | R159 G163 | R159-S161 PolarHBondContact O-N 3.26Å; S161-G163 PolarHBondContact O-N 3.06Å; S161-G163 VanDerWaalsContact O-N 3.09Å |
| 162 | S | 55 | Low | 57.8 | Low | 70 Ų | 70 | 125.9 Ų | 125.9 | 49% | 0.49 | 64% | 0.644 | S | S | . | * | trans | -80.8 | 90.1 | 173.2 | -74.2 | 0 | 0 | 0 | 0 | 110.5 | R159 | R159-S162 PolarHBondContact O-N 3.36Š| ||
| 163 | G | 61.7 | Low | 56.9 | Low | 52 Ų | 52 | 127 Ų | 127 | 54% | 0.536 | 66% | 0.66 | S | S | . | * | trans | -52.8 | 164.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S161 R165 | S161-G163 PolarHBondContact O-N 3.06Å; S161-G163 VanDerWaalsContact O-N 3.09Å; G163-R165 PolarHBondContact O-N 2.71Å | ||
| 164 | P | 57.5 | Low | 56.2 | Low | 135 Ų | 135 | 128.8 Ų | 128.8 | 88% | 0.877 | 67% | 0.668 | S | S | * | * | trans | -55.5 | 96.9 | -162.8 | 21 | -33.9 | 0 | 0 | 0 | 112.7 | S166 | P164-S166 VanDerWaalsContact C-N 3.28Å; P164-S166 PolarHBondContact O-N 2.8Å | ||
| 165 | R | 54.9 | Low | 55.4 | Low | 219 Ų | 219 | 129.6 Ų | 129.6 | 83% | 0.826 | 68% | 0.677 | S | S | * | * | trans | -79 | 80.5 | -173.8 | -162.8 | 172.7 | -166.1 | 129.2 | 2.9 | 109.8 | G163 R167 | G163-R165 PolarHBondContact O-N 2.71Å; R165-R167 PolarHBondContact O-N 3.39Å | ||
| 166 | S | 58.1 | Low | 55.4 | Low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | trans | -46.8 | 110 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | P164 K168 | P164-S166 VanDerWaalsContact C-N 3.28Å; P164-S166 PolarHBondContact O-N 2.8Å; S166-K168 VanDerWaalsContact C-N 3.31Å; S166-K168 PolarHBondContact O-N 2.81Å | ||
| 167 | R | 58.9 | Low | 55.7 | Low | 191 Ų | 191 | 136 Ų | 136 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | trans | -73.4 | 89.8 | 178.6 | -58 | -177.3 | 100.4 | 108.5 | 6.5 | 106.8 | R165 P169 | R165-R167 PolarHBondContact O-N 3.39Å; R167-P169 WeakPolarHBondContact O-CD 3.43Å | ||
| 168 | K | 57.5 | Low | 55.6 | Low | 190 Ų | 190 | 142.7 Ų | 142.7 | 83% | 0.826 | 75% | 0.747 | S | S | * | * | trans | -46.2 | 116.3 | 169.4 | -93.1 | -178.9 | 175.1 | 172.3 | 0 | 107.5 | S166 K170 | S166-K168 VanDerWaalsContact C-N 3.31Å; S166-K168 PolarHBondContact O-N 2.81Å; K168-K170 PolarHBondContact O-N 3.16Å | ||
| 169 | P | 57.8 | Low | 55.9 | Low | 117 Ų | 117 | 144.7 Ų | 144.7 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -58.5 | 131.7 | -176 | 22.1 | -32.3 | 0 | 0 | 0 | 107.6 | R167 K171 | R167-P169 WeakPolarHBondContact O-CD 3.43Å; P169-K171 PolarHBondContact O-N 3.22Å | ||
| 170 | K | 56.5 | Low | 56.4 | Low | 192 Ų | 192 | 150.7 Ų | 150.7 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | trans | -65.9 | 96.7 | -170.9 | -178.2 | 158.7 | -178.6 | 157.3 | 0 | 109.2 | K168 K172 | K168-K170 PolarHBondContact O-N 3.16Å; K170-K172 PolarHBondContact O-N 3.06Å | ||
| 171 | K | 55.5 | Low | 57.1 | Low | 192 Ų | 192 | 149.7 Ų | 149.7 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -47.5 | 130.1 | 168.5 | -77.4 | -169.6 | 175.4 | -173.8 | 0 | 107.4 | P169 S173 | P169-K171 PolarHBondContact O-N 3.22Å; K171-S173 PolarHBondContact O-N 3.11Å | ||
| 172 | K | 53.7 | Low | 58.3 | Low | 199 Ų | 199 | 156.3 Ų | 156.3 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | -74.8 | 79.3 | -176.2 | -166.9 | 161.5 | -176.3 | 175.5 | 0 | 109 | K170 T174 | K170-K172 PolarHBondContact O-N 3.06Å; K172-T174 PolarHBondContact O-N 3.41Å; K172-T174 VanDerWaalsContact O-N 3.12Å | ||
| 173 | S | 48.6 | Very low | 59.6 | Low | 80 Ų | 80 | 157.6 Ų | 157.6 | 56% | 0.559 | 78% | 0.778 | S | S | * | * | trans | -55.2 | 115.4 | 173.6 | 55.1 | 0 | 0 | 0 | 0 | 108.9 | K171 S175 | K171-S173 PolarHBondContact O-N 3.11Å; S173-S175 PolarHBondContact O-N 3.08Å | ||
| 174 | T | 54.7 | Low | 61 | Low | 130 Ų | 130 | 159.7 Ų | 159.7 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -74.3 | 2.1 | -179.3 | 39.2 | 0 | 0 | 0 | 0 | 113.5 | K172 K176 | K172-T174 PolarHBondContact O-N 3.41Å; K172-T174 VanDerWaalsContact O-N 3.12Å; T174-K176 PolarHBondContact O-N 3Å | ||
| 175 | S | 48.8 | Very low | 62.8 | Low | 93 Ų | 93 | 155.7 Ų | 155.7 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | -63.5 | 90.1 | 172.1 | -16.9 | 0 | 0 | 0 | 0 | 111.1 | S173 E177 | S173-S175 PolarHBondContact O-N 3.08Å; S175-E177 VanDerWaalsContact C-N 3.27Å | ||
| 176 | K | 55.3 | Low | 64.8 | Low | 200 Ų | 200 | 148.6 Ų | 148.6 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | trans | -91.1 | 18.3 | 174.5 | -75.5 | -177.8 | 178.3 | 173.4 | 0 | 113.1 | T174 | T174-K176 PolarHBondContact O-N 3Š| ||
| 177 | E | 56.2 | Low | 66.6 | Low | 165 Ų | 165 | 147.4 Ų | 147.4 | 77% | 0.771 | 74% | 0.737 | S | S | * | * | trans | -136.8 | 100.6 | -166.2 | -162.1 | 160.9 | -135.5 | 0 | 0 | 102.5 | S175 | S175-E177 VanDerWaalsContact C-N 3.27Š| ||
| 178 | D | 56.6 | Low | 68.4 | Low | 160 Ų | 160 | 145.6 Ų | 145.6 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | S | Bend | -139.5 | 14.4 | 67.3 | -77.4 | -64.2 | 0 | 0 | 0 | 115.1 | R180 | D178-R180 PolarHBondContact O-N 2.97Š| |
| 179 | K | 60.5 | Low | 70.3 | Confident | 189 Ų | 189 | 138 Ų | 138 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -88.1 | 112.8 | -177.9 | -63.2 | -165 | 179.1 | -166.8 | 0 | 110 | P181 | K179-P181 VanDerWaalsContact O-N 3.14Š|
| 180 | R | 66.5 | Low | 72.2 | Confident | 234 Ų | 234 | 135 Ų | 135 | 88% | 0.883 | 68% | 0.681 | S | S | * | * | trans | -35.3 | 120.2 | 173.1 | -75.3 | -174.9 | 179.9 | 177.4 | -0 | 109.8 | D178 R182 | D178-R180 PolarHBondContact O-N 2.97Å; R180-R182 PolarHBondContact O-N 3.31Å | ||
| 181 | P | 71.5 | Confident | 74.1 | Confident | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 67% | 0.668 | S | S | * | * | trans | -58.5 | 134.2 | -172.1 | 21.7 | -32.5 | 0 | 0 | 0 | 110 | K179 T183 | K179-P181 VanDerWaalsContact O-N 3.14Å; P181-T183 PolarHBondContact O-N 3.36Å | ||
| 182 | R | 78.5 | Confident | 76.1 | Confident | 250 Ų | 250 | 125.4 Ų | 125.4 | 94% | 0.943 | 64% | 0.64 | S | S | * | * | trans | -69.5 | 105.1 | 177.2 | -76 | 179.9 | 172.6 | 161.5 | -3.8 | 108.8 | R180 A184 | R180-R182 PolarHBondContact O-N 3.31Å; R182-A184 PolarHBondContact O-N 3.3Å | ||
| 183 | T | 83.1 | Confident | 78.2 | Confident | 97 Ų | 97 | 116 Ų | 116 | 60% | 0.595 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 117.3 | 171.6 | 57.4 | 0 | 0 | 0 | 0 | 109.5 | P181 | P181-T183 PolarHBondContact O-N 3.36Š|
| 184 | A | 90.6 | Very high | 80.6 | Confident | 95 Ų | 95 | 116 Ų | 116 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 143.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | R182 | R182-A184 PolarHBondContact O-N 3.3Š|
| 185 | F | 95.1 | Very high | 82.6 | Confident | 51 Ų | 51 | 112.4 Ų | 112.4 | 22% | 0.224 | 57% | 0.569 | C | S | . | * | P | Polyproline II helix | trans | -83.4 | 148.4 | 171.5 | -57.8 | -57.4 | 0 | 0 | 0 | 110.2 | Q189 L190 L217 Q221 W225 | F185-Q189 HydrophobicContact CB-CB 4.23Å; F185-L190 HydrophobicContact CB-CD2 3.99Å; F185-L190 HydrophobicContact CB-CG 3.94Å; F185-L190 HydrophobicContact CD2-CD2 4.14Å; F185-L217 HydrophobicContact CD1-CD1 3.68Å; F185-L217 HydrophobicContact CD1-CD2 3.83Å; F185-L217 HydrophobicContact CD1-CG 4.44Å; F185-L217 HydrophobicContact CE1-CD1 3.77Å; F185-L217 HydrophobicContact CE1-CD2 3.85Å; F185-L217 HydrophobicContact CE1-CG 4.43Å; F185-Q221 HydrophobicContact CE1-CB 4Å; F185-Q221 HydrophobicContact CE1-CG 4.49Å; F185-Q221 HydrophobicContact CZ-CB 3.93Å; F185-W225 AromaticContact CD2-CD1 3.78Å; F185-W225 HydrophobicContact CE2-CB 4.32Å; F185-W225 AromaticContact CE2-CD1 3.67Å; F185-W225 HydrophobicContact CE2-CG 4.37Å |
| 186 | T | 96.8 | Very high | 84.9 | Confident | 71 Ų | 71 | 108.8 Ų | 108.8 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 162.8 | 175.7 | 72.8 | 0 | 0 | 0 | 0 | 111.2 | E188 Q189 L190 | T186-E188 VanDerWaalsContact C-N 3.28Å; T186-E188 PolarHBondContact O-N 3.22Å; T186-Q189 PolarHBondContact O-N 2.99Å; T186-Q189 WeakPolarHBondContact OG1-CB 3.39Å; T186-Q189 VanDerWaalsContact OG1-CG 3.28Å; T186-Q189 WeakPolarHBondContact OG1-CG 3.27Å; T186-Q189 PolarHBondContact OG1-N 3.24Å; T186-L190 WeakPolarHBondContact O-CG 3.29Å; T186-L190 PolarHBondContact O-N 2.79Å |
| 187 | A | 95.9 | Very high | 86.9 | Confident | 82 Ų | 82 | 99.6 Ų | 99.6 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.8 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L190 Q191 | A187-L190 PolarHBondContact O-N 3.33Å; A187-Q191 WeakPolarHBondContact O-CG 3.43Å; A187-Q191 PolarHBondContact O-N 2.9Å |
| 188 | E | 96.6 | Very high | 88.8 | Confident | 153 Ų | 153 | 98 Ų | 98 | 72% | 0.715 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.4 | -50.5 | 177.1 | -175.3 | -175.5 | -179.3 | 0 | 0 | 112.4 | T186 L190 Q191 R192 | T186-E188 VanDerWaalsContact C-N 3.28Å; T186-E188 PolarHBondContact O-N 3.22Å; E188-L190 PolarHBondContact O-N 2.79Å; E188-Q191 WeakPolarHBondContact O-CA 3.37Å; E188-Q191 WeakPolarHBondContact O-CB 3.3Å; E188-Q191 PolarHBondContact O-N 3.02Å; E188-R192 PolarHBondContact O-N 3.4Å |
| 189 | Q | 97.1 | Very high | 90.7 | Very high | 31 Ų | 31 | 95.8 Ų | 95.8 | 15% | 0.145 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -53.9 | -43.1 | 174.1 | -73.4 | 171.2 | -18.1 | 0 | 0 | 111 | F185 T186 L193 L215 L217 | F185-Q189 HydrophobicContact CB-CB 4.23Å; T186-Q189 PolarHBondContact O-N 2.99Å; T186-Q189 WeakPolarHBondContact OG1-CB 3.39Å; T186-Q189 VanDerWaalsContact OG1-CG 3.28Å; T186-Q189 WeakPolarHBondContact OG1-CG 3.27Å; T186-Q189 PolarHBondContact OG1-N 3.24Å; Q189-L193 WeakPolarHBondContact O-CB 3.34Å; Q189-L193 WeakPolarHBondContact O-CD1 3.14Å; Q189-L193 WeakPolarHBondContact O-CG 3.46Å; Q189-L193 PolarHBondContact O-N 3.12Å; Q189-L215 HydrophobicContact CG-CB 4.27Å; Q189-L215 HydrophobicContact CG-CD2 4.16Å; Q189-L215 PolarHBondContact NE2-O 2.91Å; Q189-L217 HydrophobicContact CB-CD1 4.43Å; Q189-L217 HydrophobicContact CG-CD1 4.28Å |
| 190 | L | 97.3 | Very high | 92.4 | Very high | 53 Ų | 53 | 90.1 Ų | 90.1 | 28% | 0.277 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.3 | -32.8 | 176.1 | -70 | 174.2 | 0 | 0 | 0 | 113.4 | F185 T186 A187 E188 K194 W225 | F185-L190 HydrophobicContact CB-CD2 3.99Å; F185-L190 HydrophobicContact CB-CG 3.94Å; F185-L190 HydrophobicContact CD2-CD2 4.14Å; T186-L190 WeakPolarHBondContact O-CG 3.29Å; T186-L190 PolarHBondContact O-N 2.79Å; A187-L190 PolarHBondContact O-N 3.33Å; E188-L190 PolarHBondContact O-N 2.79Å; L190-K194 WeakPolarHBondContact O-CB 3.39Å; L190-K194 VanDerWaalsContact O-CD 3.31Å; L190-K194 WeakPolarHBondContact O-CD 3.46Å; L190-K194 WeakPolarHBondContact O-CG 3.25Å; L190-K194 PolarHBondContact O-N 3.43Å; L190-K194 VanDerWaalsContact O-N 3.08Å; L190-W225 VanDerWaalsContact CD2-NE1 3.31Å |
| 191 | Q | 97.8 | Very high | 93.8 | Very high | 119 Ų | 119 | 84.8 Ų | 84.8 | 56% | 0.556 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -68 | -49.3 | 174.6 | -70.8 | -65.4 | 15.3 | 0 | 0 | 111.1 | A187 E188 L193 K194 S195 | A187-Q191 WeakPolarHBondContact O-CG 3.43Å; A187-Q191 PolarHBondContact O-N 2.9Å; E188-Q191 WeakPolarHBondContact O-CA 3.37Å; E188-Q191 WeakPolarHBondContact O-CB 3.3Å; E188-Q191 PolarHBondContact O-N 3.02Å; Q191-L193 PolarHBondContact O-N 2.98Å; Q191-K194 WeakPolarHBondContact O-CB 3.33Å; Q191-K194 PolarHBondContact O-N 3.44Å; Q191-K194 VanDerWaalsContact O-N 3.13Å; Q191-S195 PolarHBondContact O-N 3.46Å |
| 192 | R | 97.6 | Very high | 95 | Very high | 64 Ų | 64 | 86 Ų | 86 | 24% | 0.242 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 178.3 | -174.3 | 68 | -174 | 105.2 | 14.8 | 112.1 | E188 K194 S195 E196 L211 E214 L215 | E188-R192 PolarHBondContact O-N 3.4Å; R192-K194 PolarHBondContact O-N 2.84Å; R192-S195 PolarHBondContact O-N 3.35Å; R192-E196 IonicContact NH2-OE1 3.18Å; R192-E196 PolarHBondContact O-N 2.87Å; R192-L211 HydrophobicContact CG-CD2 4.23Å; R192-E214 IonicContact CZ-OE2 2.66Å; R192-E214 IonicContact NE-OE2 2.76Å; R192-E214 PolarHBondContact NE-OE2 3.19Å; R192-E214 IonicContact NH2-OE1 3.99Å; R192-E214 PolarHBondContact NH2-OE1 2.84Å; R192-E214 IonicContact NH2-OE2 3.37Å; R192-E214 PolarHBondContact NH2-OE2 3.25Å; R192-L215 HydrophobicContact CB-CD1 4.28Å; R192-L215 HydrophobicContact CB-CD2 3.83Å; R192-L215 HydrophobicContact CG-CD1 4.22Å; R192-L215 HydrophobicContact CG-CD2 3.87Å; R192-L215 HydrophobicContact CG-CG 4.31Å |
| 193 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.6 | -36.2 | 175.4 | -70.4 | 168.7 | 0 | 0 | 0 | 112.8 | Q189 Q191 F197 L215 L217 I222 W225 F226 | Q189-L193 WeakPolarHBondContact O-CB 3.34Å; Q189-L193 WeakPolarHBondContact O-CD1 3.14Å; Q189-L193 WeakPolarHBondContact O-CG 3.46Å; Q189-L193 PolarHBondContact O-N 3.12Å; Q191-L193 PolarHBondContact O-N 2.98Å; L193-F197 VanDerWaalsContact O-CB 3.24Å; L193-F197 WeakPolarHBondContact O-CB 3.48Å; L193-F197 PolarHBondContact O-N 3.42Å; L193-L215 HydrophobicContact CD1-CD1 4.37Å; L193-L215 HydrophobicContact CD2-CD1 3.93Å; L193-L215 HydrophobicContact CG-CD1 3.76Å; L193-L217 HydrophobicContact CD1-CD1 4.5Å; L193-I222 HydrophobicContact CD2-CG1 4.33Å; L193-I222 HydrophobicContact CD2-CG2 4.07Å; L193-W225 VanDerWaalsContact C-CH2 3.49Å; L193-W225 HydrophobicContact CB-CD2 4.11Å; L193-W225 HydrophobicContact CB-CE3 4.09Å; L193-W225 HydrophobicContact CB-CH2 3.75Å; L193-W225 HydrophobicContact CB-CZ2 3.74Å; L193-W225 HydrophobicContact CB-CZ3 3.93Å; L193-W225 HydrophobicContact CD1-CD2 4.06Å; L193-W225 HydrophobicContact CD1-CG 4.04Å; L193-W225 WeakPolarHBondContact O-CH2 3.49Å; L193-W225 WeakPolarHBondContact O-CZ3 3.48Å; L193-F226 HydrophobicContact CD2-CE2 3.93Å |
| 194 | K | 97.5 | Very high | 96.5 | Very high | 82 Ų | 82 | 75.3 Ų | 75.3 | 36% | 0.357 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 173.7 | -73.8 | 163.6 | -163.8 | 170.3 | 0 | 111.9 | L190 Q191 R192 F197 Q198 W225 | L190-K194 WeakPolarHBondContact O-CB 3.39Å; L190-K194 VanDerWaalsContact O-CD 3.31Å; L190-K194 WeakPolarHBondContact O-CD 3.46Å; L190-K194 WeakPolarHBondContact O-CG 3.25Å; L190-K194 PolarHBondContact O-N 3.43Å; L190-K194 VanDerWaalsContact O-N 3.08Å; Q191-K194 WeakPolarHBondContact O-CB 3.33Å; Q191-K194 PolarHBondContact O-N 3.44Å; Q191-K194 VanDerWaalsContact O-N 3.13Å; R192-K194 PolarHBondContact O-N 2.84Å; K194-F197 PolarHBondContact O-N 2.86Å; K194-Q198 WeakPolarHBondContact O-CG 3.46Å; K194-Q198 PolarHBondContact O-N 3.01Å; K194-W225 HydrophobicContact CG-CH2 4.42Å; K194-W225 HydrophobicContact CG-CZ2 4.33Å |
| 195 | S | 97.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 76.4 Ų | 76.4 | 37% | 0.371 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.2 | -52.3 | 177.5 | 165.9 | 0 | 0 | 0 | 0 | 110.6 | Q191 R192 F197 Q198 T199 | Q191-S195 PolarHBondContact O-N 3.46Å; R192-S195 PolarHBondContact O-N 3.35Å; S195-F197 VanDerWaalsContact C-N 3.32Å; S195-F197 PolarHBondContact O-N 3.42Å; S195-Q198 WeakPolarHBondContact O-CB 3.4Å; S195-Q198 PolarHBondContact O-N 2.83Å; S195-T199 PolarHBondContact O-N 3.28Å; S195-T199 PolarHBondContact O-OG1 2.9Å |
| 196 | E | 97.4 | Very high | 96.9 | Very high | 18 Ų | 18 | 80.5 Ų | 80.5 | 8% | 0.084 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 175.1 | -95.4 | -59 | 160.8 | 0 | 0 | 112.8 | R192 Q198 T199 N200 R207 L211 F226 | R192-E196 IonicContact NH2-OE1 3.18Å; R192-E196 PolarHBondContact O-N 2.87Å; E196-Q198 PolarHBondContact O-N 3.46Å; E196-T199 PolarHBondContact O-N 3.4Å; E196-T199 VanDerWaalsContact O-N 3.16Å; E196-N200 PolarHBondContact O-N 3.02Å; E196-R207 IonicContact OE1-CZ 3.14Å; E196-R207 IonicContact OE1-NE 2.67Å; E196-R207 PolarHBondContact OE1-NE 3.02Å; E196-R207 IonicContact OE1-NH2 2.72Å; E196-R207 PolarHBondContact OE1-NH2 3.14Å; E196-L211 HydrophobicContact CB-CD1 4.21Å; E196-L211 HydrophobicContact CG-CD1 4.07Å; E196-L211 HydrophobicContact CG-CD2 3.99Å; E196-L211 HydrophobicContact CG-CG 4.44Å; E196-F226 HydrophobicContact CB-CZ 4.3Å |
| 197 | F | 97.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 80.4 Ų | 80.4 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.9 | -30.2 | 175.5 | -168.8 | -90.8 | 0 | 0 | 0 | 112.8 | L193 K194 S195 N200 R201 W225 F226 K229 R230 I233 | L193-F197 VanDerWaalsContact O-CB 3.24Å; L193-F197 WeakPolarHBondContact O-CB 3.48Å; L193-F197 PolarHBondContact O-N 3.42Å; K194-F197 PolarHBondContact O-N 2.86Å; S195-F197 VanDerWaalsContact C-N 3.32Å; S195-F197 PolarHBondContact O-N 3.42Å; F197-N200 WeakPolarHBondContact CA-O 3.33Å; F197-R201 HydrophobicContact CE2-CB 4.35Å; F197-R201 HydrophobicContact CZ-CB 4.26Å; F197-R201 HydrophobicContact CZ-CG 4.4Å; F197-R201 VanDerWaalsContact O-CD 3.28Å; F197-R201 WeakPolarHBondContact O-CD 3.39Å; F197-R201 PolarHBondContact O-NE 3.16Å; F197-W225 HydrophobicContact CB-CH2 4.1Å; F197-W225 HydrophobicContact CB-CZ3 3.93Å; F197-W225 HydrophobicContact CD2-CZ3 4.08Å; F197-W225 HydrophobicContact CG-CZ3 4.2Å; F197-F226 HydrophobicContact CB-CE1 4.21Å; F197-F226 HydrophobicContact CB-CZ 4.25Å; F197-F226 AromaticContact CD2-CD1 3.68Å; F197-F226 HydrophobicContact CD2-CD1 3.68Å; F197-F226 AromaticContact CD2-CE1 3.63Å; F197-F226 HydrophobicContact CD2-CE1 3.63Å; F197-F226 HydrophobicContact CD2-CG 4.43Å; F197-F226 HydrophobicContact CD2-CZ 4.34Å; F197-F226 HydrophobicContact CE2-CD1 4.19Å; F197-F226 HydrophobicContact CG-CE1 4.41Å; F197-K229 HydrophobicContact CD1-CD 4.33Å; F197-K229 VanDerWaalsContact CD1-CE 3.49Å; F197-K229 HydrophobicContact CD1-CG 3.76Å; F197-K229 HydrophobicContact CD2-CB 4.2Å; F197-K229 HydrophobicContact CD2-CG 3.57Å; F197-K229 HydrophobicContact CE1-CD 4.32Å; F197-K229 HydrophobicContact CE1-CG 3.65Å; F197-K229 HydrophobicContact CE2-CB 3.97Å; F197-K229 HydrophobicContact CE2-CG 3.46Å; F197-K229 VanDerWaalsContact CE2-CG 3.46Å; F197-K229 HydrophobicContact CG-CG 3.73Å; F197-K229 HydrophobicContact CZ-CB 4.34Å; F197-K229 HydrophobicContact CZ-CG 3.5Å; F197-R230 HydrophobicContact CE2-CG 3.84Å; F197-R230 HydrophobicContact CZ-CG 3.99Å; F197-I233 HydrophobicContact CE1-CD1 3.35Å; F197-I233 HydrophobicContact CZ-CD1 3.62Å |
| 198 | Q | 96.8 | Very high | 97 | Very high | 133 Ų | 133 | 78.7 Ų | 78.7 | 62% | 0.621 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.8 | -48.6 | 174.8 | -73.4 | 163.2 | -9.7 | 0 | 0 | 110.5 | K194 S195 E196 R201 | K194-Q198 WeakPolarHBondContact O-CG 3.46Å; K194-Q198 PolarHBondContact O-N 3.01Å; S195-Q198 WeakPolarHBondContact O-CB 3.4Å; S195-Q198 PolarHBondContact O-N 2.83Å; E196-Q198 PolarHBondContact O-N 3.46Å; Q198-R201 PolarHBondContact O-NH2 3.4Å |
| 199 | T | 95.9 | Very high | 97.1 | Very high | 113 Ų | 113 | 75.2 Ų | 75.2 | 69% | 0.693 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.8 | -50.8 | 176.7 | -50.5 | 0 | 0 | 0 | 0 | 112.4 | S195 E196 | S195-T199 PolarHBondContact O-N 3.28Å; S195-T199 PolarHBondContact O-OG1 2.9Å; E196-T199 PolarHBondContact O-N 3.4Å; E196-T199 VanDerWaalsContact O-N 3.16Å |
| 200 | N | 95 | Very high | 97.1 | Very high | 69 Ų | 69 | 76.7 Ų | 76.7 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | trans | -140.2 | 125.3 | -178.8 | -168.6 | -13.3 | 0 | 0 | 0 | 112.1 | E196 F197 Y202 | E196-N200 PolarHBondContact O-N 3.02Å; F197-N200 WeakPolarHBondContact CA-O 3.33Å; N200-Y202 VanDerWaalsContact C-N 3.26Å; N200-Y202 PolarHBondContact ND2-O 2.86Å; N200-Y202 PolarHBondContact O-N 3.46Å; N200-Y202 PolarHBondContact OD1-N 2.89Å; N200-Y202 PolarHBondContact OD1-O 2.92Å | ||
| 201 | R | 95.8 | Very high | 97.1 | Very high | 122 Ų | 122 | 74.2 Ų | 74.2 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -75.4 | -14.3 | 179.5 | -52.1 | -65.5 | 140.9 | 96 | 2.3 | 113 | F197 Q198 R230 | F197-R201 HydrophobicContact CE2-CB 4.35Å; F197-R201 HydrophobicContact CZ-CB 4.26Å; F197-R201 HydrophobicContact CZ-CG 4.4Å; F197-R201 VanDerWaalsContact O-CD 3.28Å; F197-R201 WeakPolarHBondContact O-CD 3.39Å; F197-R201 PolarHBondContact O-NE 3.16Å; Q198-R201 PolarHBondContact O-NH2 3.4Å; R201-R230 VanDerWaalsContact O-CD 3.32Å; R201-R230 WeakPolarHBondContact O-CD 3.37Å |
| 202 | Y | 96.9 | Very high | 97.1 | Very high | 143 Ų | 143 | 69.2 Ų | 69.2 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -134.5 | 116.2 | -174.4 | -67.4 | -104 | 0 | 0 | 0 | 110.5 | N200 R230 | N200-Y202 VanDerWaalsContact C-N 3.26Å; N200-Y202 PolarHBondContact ND2-O 2.86Å; N200-Y202 PolarHBondContact O-N 3.46Å; N200-Y202 PolarHBondContact OD1-N 2.89Å; N200-Y202 PolarHBondContact OD1-O 2.92Å; Y202-R230 VanDerWaalsContact CE1-CZ 3.44Å |
| 203 | L | 96 | Very high | 97.1 | Very high | 39 Ų | 39 | 73.6 Ų | 73.6 | 20% | 0.204 | 35% | 0.354 | C | S | . | . | trans | -78.3 | 136 | 177.3 | -66.7 | 175.3 | 0 | 0 | 0 | 112.1 | R207 R208 L211 I222 F226 | L203-R207 HydrophobicContact CD2-CB 4.19Å; L203-R207 HydrophobicContact CD2-CG 3.84Å; L203-R208 HydrophobicContact CB-CB 4.28Å; L203-R208 HydrophobicContact CD1-CB 4.2Å; L203-R208 HydrophobicContact CD1-CG 4.38Å; L203-L211 HydrophobicContact CD1-CD1 3.88Å; L203-L211 HydrophobicContact CD2-CD1 3.72Å; L203-L211 HydrophobicContact CG-CD1 4.48Å; L203-I222 HydrophobicContact CD1-CG2 3.39Å; L203-F226 HydrophobicContact CD1-CD1 4.19Å; L203-F226 HydrophobicContact CD1-CD2 3.57Å; L203-F226 HydrophobicContact CD1-CE1 4.1Å; L203-F226 HydrophobicContact CD1-CE2 3.51Å; L203-F226 HydrophobicContact CD1-CG 3.95Å; L203-F226 HydrophobicContact CD1-CZ 3.78Å; L203-F226 HydrophobicContact CD2-CE1 3.93Å; L203-F226 HydrophobicContact CD2-CE2 4.36Å; L203-F226 HydrophobicContact CD2-CZ 3.79Å; L203-F226 HydrophobicContact CG-CD1 3.84Å; L203-F226 HydrophobicContact CG-CD2 4.15Å; L203-F226 HydrophobicContact CG-CE1 3.62Å; L203-F226 HydrophobicContact CG-CE2 3.98Å; L203-F226 HydrophobicContact CG-CG 4.11Å; L203-F226 HydrophobicContact CG-CZ 3.71Å | ||
| 204 | T | 97.5 | Very high | 97.1 | Very high | 84 Ų | 84 | 78.1 Ų | 78.1 | 52% | 0.515 | 38% | 0.376 | S | S | . | . | trans | -70.9 | 165.8 | 158.4 | 60.6 | 0 | 0 | 0 | 0 | 110.5 | R207 R208 | T204-R207 PolarHBondContact O-N 3.37Å; T204-R207 WeakPolarHBondContact OG1-CB 3.47Å; T204-R207 PolarHBondContact OG1-N 2.92Å; T204-R208 VanDerWaalsContact O-CB 3.31Å; T204-R208 WeakPolarHBondContact O-CB 3.5Å; T204-R208 PolarHBondContact O-N 3.49Å | ||
| 205 | E | 97.3 | Very high | 97 | Very high | 118 Ų | 118 | 75.2 Ų | 75.2 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -55.5 | -55.4 | 174.6 | -172.3 | 123 | -93.9 | 0 | 0 | 112.2 | R207 R208 Q209 | E205-R207 PolarHBondContact O-N 2.95Å; E205-R208 WeakPolarHBondContact O-CB 3.42Å; E205-R208 PolarHBondContact O-N 2.66Å; E205-R208 VanDerWaalsContact O-N 3.11Å; E205-R208 IonicContact OE1-CZ 3.17Å; E205-R208 IonicContact OE1-NH1 2.91Å; E205-R208 PolarHBondContact OE1-NH1 2.65Å; E205-R208 VanDerWaalsContact OE1-NH1 3.14Å; E205-R208 IonicContact OE1-NH2 3.82Å; E205-R208 PolarHBondContact OE1-NH2 2.95Å; E205-Q209 PolarHBondContact O-N 3.37Å |
| 206 | Q | 97.4 | Very high | 97 | Very high | 138 Ų | 138 | 76 Ų | 76 | 65% | 0.645 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59.3 | -42.5 | -179.6 | -168.6 | -179.2 | 12.2 | 0 | 0 | 112.4 | R208 Q209 N210 | Q206-R208 VanDerWaalsContact C-N 3.31Å; Q206-R208 PolarHBondContact O-N 2.71Å; Q206-Q209 PolarHBondContact O-N 2.75Å; Q206-N210 PolarHBondContact O-N 3.49Å; Q206-N210 PolarHBondContact O-OD1 2.87Å |
| 207 | R | 97.4 | Very high | 96.9 | Very high | 68 Ų | 68 | 76 Ų | 76 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.1 | -31.6 | 178.6 | -166.1 | 57.1 | 175.1 | 152 | -19.1 | 112.3 | E196 L203 T204 E205 L211 E214 | E196-R207 IonicContact OE1-CZ 3.14Å; E196-R207 IonicContact OE1-NE 2.67Å; E196-R207 PolarHBondContact OE1-NE 3.02Å; E196-R207 IonicContact OE1-NH2 2.72Å; E196-R207 PolarHBondContact OE1-NH2 3.14Å; L203-R207 HydrophobicContact CD2-CB 4.19Å; L203-R207 HydrophobicContact CD2-CG 3.84Å; T204-R207 PolarHBondContact O-N 3.37Å; T204-R207 WeakPolarHBondContact OG1-CB 3.47Å; T204-R207 PolarHBondContact OG1-N 2.92Å; E205-R207 PolarHBondContact O-N 2.95Å; R207-L211 WeakPolarHBondContact O-CB 3.4Å; R207-L211 WeakPolarHBondContact O-CG 3.37Å; R207-L211 PolarHBondContact O-N 2.97Å; R207-E214 IonicContact CZ-OE1 3.09Å; R207-E214 IonicContact NH1-OE1 2.66Å; R207-E214 PolarHBondContact NH1-OE1 2.97Å |
| 208 | R | 98.1 | Very high | 96.9 | Very high | 47 Ų | 47 | 81.1 Ų | 81.1 | 18% | 0.177 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 174.2 | -173.7 | -174.2 | 72.7 | -133.2 | 5.9 | 111.9 | L203 T204 E205 Q206 A212 E219 I222 | L203-R208 HydrophobicContact CB-CB 4.28Å; L203-R208 HydrophobicContact CD1-CB 4.2Å; L203-R208 HydrophobicContact CD1-CG 4.38Å; T204-R208 VanDerWaalsContact O-CB 3.31Å; T204-R208 WeakPolarHBondContact O-CB 3.5Å; T204-R208 PolarHBondContact O-N 3.49Å; E205-R208 WeakPolarHBondContact O-CB 3.42Å; E205-R208 PolarHBondContact O-N 2.66Å; E205-R208 VanDerWaalsContact O-N 3.11Å; E205-R208 IonicContact OE1-CZ 3.17Å; E205-R208 IonicContact OE1-NH1 2.91Å; E205-R208 PolarHBondContact OE1-NH1 2.65Å; E205-R208 VanDerWaalsContact OE1-NH1 3.14Å; E205-R208 IonicContact OE1-NH2 3.82Å; E205-R208 PolarHBondContact OE1-NH2 2.95Å; Q206-R208 VanDerWaalsContact C-N 3.31Å; Q206-R208 PolarHBondContact O-N 2.71Å; R208-A212 WeakPolarHBondContact O-CB 3.5Å; R208-A212 PolarHBondContact O-N 3.42Å; R208-E219 HydrophobicContact CG-CB 4.11Å; R208-E219 HydrophobicContact CG-CG 4.37Å; R208-E219 IonicContact CZ-OE2 2.71Å; R208-E219 IonicContact NE-OE2 2.65Å; R208-E219 PolarHBondContact NE-OE2 3.3Å; R208-E219 IonicContact NH2-OE2 3.33Å; R208-E219 PolarHBondContact NH2-OE2 3.09Å; R208-I222 HydrophobicContact CG-CG2 4.33Å |
| 209 | Q | 98.1 | Very high | 96.9 | Very high | 80 Ų | 80 | 77.8 Ų | 77.8 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.8 | -47.6 | 173.7 | -73.5 | 172.6 | -21.6 | 0 | 0 | 111.8 | E205 Q206 L211 A212 Q213 E219 | E205-Q209 PolarHBondContact O-N 3.37Å; Q206-Q209 PolarHBondContact O-N 2.75Å; Q209-L211 VanDerWaalsContact C-N 3.34Å; Q209-L211 PolarHBondContact O-N 3.27Å; Q209-A212 WeakPolarHBondContact O-CB 3.39Å; Q209-A212 PolarHBondContact O-N 2.84Å; Q209-A212 VanDerWaalsContact O-N 3.08Å; Q209-Q213 PolarHBondContact O-N 2.79Å; Q209-Q213 VanDerWaalsContact O-N 3.07Å; Q209-E219 VanDerWaalsContact CG-CD 3.49Å; Q209-E219 HydrophobicContact CG-CG 4.41Å; Q209-E219 WeakPolarHBondContact CG-OE2 3.31Å |
| 210 | N | 97.7 | Very high | 96.9 | Very high | 62 Ų | 62 | 75.9 Ų | 75.9 | 33% | 0.332 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 177 | -66.1 | 6.7 | 0 | 0 | 0 | 111.1 | Q206 A212 Q213 E214 | Q206-N210 PolarHBondContact O-N 3.49Å; Q206-N210 PolarHBondContact O-OD1 2.87Å; N210-A212 VanDerWaalsContact C-N 3.3Å; N210-A212 PolarHBondContact O-N 3.27Å; N210-Q213 PolarHBondContact O-N 3.03Å; N210-E214 WeakPolarHBondContact O-CB 3.21Å; N210-E214 VanDerWaalsContact O-CG 3.27Å; N210-E214 WeakPolarHBondContact O-CG 3.39Å; N210-E214 PolarHBondContact O-N 3.37Å |
| 211 | L | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.9 | -30 | 175.6 | -75.1 | 171.8 | 0 | 0 | 0 | 113.8 | R192 E196 L203 R207 Q209 L215 I222 | R192-L211 HydrophobicContact CG-CD2 4.23Å; E196-L211 HydrophobicContact CB-CD1 4.21Å; E196-L211 HydrophobicContact CG-CD1 4.07Å; E196-L211 HydrophobicContact CG-CD2 3.99Å; E196-L211 HydrophobicContact CG-CG 4.44Å; L203-L211 HydrophobicContact CD1-CD1 3.88Å; L203-L211 HydrophobicContact CD2-CD1 3.72Å; L203-L211 HydrophobicContact CG-CD1 4.48Å; R207-L211 WeakPolarHBondContact O-CB 3.4Å; R207-L211 WeakPolarHBondContact O-CG 3.37Å; R207-L211 PolarHBondContact O-N 2.97Å; Q209-L211 VanDerWaalsContact C-N 3.34Å; Q209-L211 PolarHBondContact O-N 3.27Å; L211-L215 VanDerWaalsContact O-CB 3.29Å; L211-L215 WeakPolarHBondContact O-CB 3.44Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.11Å; L211-L215 VanDerWaalsContact O-N 3.17Å; L211-I222 VanDerWaalsContact C-CD1 3.44Å; L211-I222 HydrophobicContact CB-CD1 3.8Å; L211-I222 HydrophobicContact CD1-CG2 4.47Å |
| 212 | A | 97.6 | Very high | 97 | Very high | 14 Ų | 14 | 68.8 Ų | 68.8 | 12% | 0.116 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | R208 Q209 N210 G216 L217 E219 I222 | R208-A212 WeakPolarHBondContact O-CB 3.5Å; R208-A212 PolarHBondContact O-N 3.42Å; Q209-A212 WeakPolarHBondContact O-CB 3.39Å; Q209-A212 PolarHBondContact O-N 2.84Å; Q209-A212 VanDerWaalsContact O-N 3.08Å; N210-A212 VanDerWaalsContact C-N 3.3Å; N210-A212 PolarHBondContact O-N 3.27Å; A212-G216 PolarHBondContact O-N 3.22Å; A212-G216 VanDerWaalsContact O-N 3.07Å; A212-L217 CarbonylContact C-O 3.6Å; A212-L217 VanDerWaalsContact CA-O 3.25Å; A212-L217 WeakPolarHBondContact CA-O 3.32Å; A212-L217 WeakPolarHBondContact CB-O 3.34Å; A212-L217 PolarHBondContact O-N 3.19Å; A212-E219 HydrophobicContact CB-CG 3.79Å; A212-I222 VanDerWaalsContact CA-CD1 3.45Å; A212-I222 HydrophobicContact CB-CD1 3.94Å; A212-I222 VanDerWaalsContact N-CD1 3.3Å |
| 213 | Q | 97.5 | Very high | 97 | Very high | 156 Ų | 156 | 67.3 Ų | 67.3 | 73% | 0.729 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.6 | -49.7 | 175.6 | -66.1 | 175.1 | -8.2 | 0 | 0 | 111.7 | Q209 N210 L215 G216 | Q209-Q213 PolarHBondContact O-N 2.79Å; Q209-Q213 VanDerWaalsContact O-N 3.07Å; N210-Q213 PolarHBondContact O-N 3.03Å; Q213-L215 PolarHBondContact O-N 3.4Å; Q213-L215 VanDerWaalsContact O-N 3.17Å; Q213-G216 PolarHBondContact O-N 2.84Å |
| 214 | E | 96.7 | Very high | 97.1 | Very high | 95 Ų | 95 | 69.3 Ų | 69.3 | 44% | 0.444 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.3 | -32.8 | 178.5 | -75.2 | 175.1 | -143.2 | 0 | 0 | 113 | R192 R207 N210 | R192-E214 IonicContact CZ-OE2 2.66Å; R192-E214 IonicContact NE-OE2 2.76Å; R192-E214 PolarHBondContact NE-OE2 3.19Å; R192-E214 IonicContact NH2-OE1 3.99Å; R192-E214 PolarHBondContact NH2-OE1 2.84Å; R192-E214 IonicContact NH2-OE2 3.37Å; R192-E214 PolarHBondContact NH2-OE2 3.25Å; R207-E214 IonicContact CZ-OE1 3.09Å; R207-E214 IonicContact NH1-OE1 2.66Å; R207-E214 PolarHBondContact NH1-OE1 2.97Å; N210-E214 WeakPolarHBondContact O-CB 3.21Å; N210-E214 VanDerWaalsContact O-CG 3.27Å; N210-E214 WeakPolarHBondContact O-CG 3.39Å; N210-E214 PolarHBondContact O-N 3.37Å |
| 215 | L | 96.1 | Very high | 97.1 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -110.4 | -3.6 | -171.6 | -64.9 | -177.6 | 0 | 0 | 0 | 115.4 | Q189 R192 L193 L211 Q213 L217 | Q189-L215 HydrophobicContact CG-CB 4.27Å; Q189-L215 HydrophobicContact CG-CD2 4.16Å; Q189-L215 PolarHBondContact NE2-O 2.91Å; R192-L215 HydrophobicContact CB-CD1 4.28Å; R192-L215 HydrophobicContact CB-CD2 3.83Å; R192-L215 HydrophobicContact CG-CD1 4.22Å; R192-L215 HydrophobicContact CG-CD2 3.87Å; R192-L215 HydrophobicContact CG-CG 4.31Å; L193-L215 HydrophobicContact CD1-CD1 4.37Å; L193-L215 HydrophobicContact CD2-CD1 3.93Å; L193-L215 HydrophobicContact CG-CD1 3.76Å; L211-L215 VanDerWaalsContact O-CB 3.29Å; L211-L215 WeakPolarHBondContact O-CB 3.44Å; L211-L215 WeakPolarHBondContact O-CG 3.28Å; L211-L215 PolarHBondContact O-N 3.11Å; L211-L215 VanDerWaalsContact O-N 3.17Å; Q213-L215 PolarHBondContact O-N 3.4Å; Q213-L215 VanDerWaalsContact O-N 3.17Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 HydrophobicContact CB-CB 4.39Å; L215-L217 HydrophobicContact CB-CD1 4.04Å; L215-L217 HydrophobicContact CB-CG 4Å; L215-L217 HydrophobicContact CD1-CD1 4.33Å; L215-L217 PolarHBondContact O-N 3.23Å |
| 216 | G | 96.5 | Very high | 97.1 | Very high | 69 Ų | 69 | 61.5 Ų | 61.5 | 71% | 0.711 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 35.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A212 Q213 | A212-G216 PolarHBondContact O-N 3.22Å; A212-G216 VanDerWaalsContact O-N 3.07Å; Q213-G216 PolarHBondContact O-N 2.84Å |
| 217 | L | 95.9 | Very high | 97.1 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | trans | -118.8 | 150.4 | -175.8 | -68.3 | -178.9 | 0 | 0 | 0 | 111.4 | F185 Q189 L193 A212 L215 I222 | F185-L217 HydrophobicContact CD1-CD1 3.68Å; F185-L217 HydrophobicContact CD1-CD2 3.83Å; F185-L217 HydrophobicContact CD1-CG 4.44Å; F185-L217 HydrophobicContact CE1-CD1 3.77Å; F185-L217 HydrophobicContact CE1-CD2 3.85Å; F185-L217 HydrophobicContact CE1-CG 4.43Å; Q189-L217 HydrophobicContact CB-CD1 4.43Å; Q189-L217 HydrophobicContact CG-CD1 4.28Å; L193-L217 HydrophobicContact CD1-CD1 4.5Å; A212-L217 CarbonylContact C-O 3.6Å; A212-L217 VanDerWaalsContact CA-O 3.25Å; A212-L217 WeakPolarHBondContact CA-O 3.32Å; A212-L217 WeakPolarHBondContact CB-O 3.34Å; A212-L217 PolarHBondContact O-N 3.19Å; L215-L217 VanDerWaalsContact C-N 3.28Å; L215-L217 HydrophobicContact CB-CB 4.39Å; L215-L217 HydrophobicContact CB-CD1 4.04Å; L215-L217 HydrophobicContact CB-CG 4Å; L215-L217 HydrophobicContact CD1-CD1 4.33Å; L215-L217 PolarHBondContact O-N 3.23Å; L217-I222 HydrophobicContact CB-CD1 4.29Å; L217-I222 HydrophobicContact CB-CG1 4.25Å | ||
| 218 | N | 96.8 | Very high | 97.1 | Very high | 113 Ų | 113 | 61.1 Ų | 61.1 | 60% | 0.604 | 32% | 0.321 | S | S | * | . | trans | -69.5 | 141.2 | 172.8 | -65.5 | -88.3 | 0 | 0 | 0 | 110.6 | S220 Q221 I222 | N218-S220 PolarHBondContact O-N 3Å; N218-Q221 HydrophobicContact CB-CG 4.23Å; N218-Q221 PolarHBondContact ND2-OE1 3.06Å; N218-Q221 WeakPolarHBondContact O-CA 3.34Å; N218-Q221 WeakPolarHBondContact O-CB 3.43Å; N218-Q221 PolarHBondContact O-N 3.29Å; N218-I222 PolarHBondContact O-N 3.18Å | ||
| 219 | E | 97.3 | Very high | 97 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 29% | 0.294 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -51.6 | -35.7 | 175.2 | -67.8 | -171 | -117 | 0 | 0 | 113.3 | R208 Q209 A212 I222 K223 | R208-E219 HydrophobicContact CG-CB 4.11Å; R208-E219 HydrophobicContact CG-CG 4.37Å; R208-E219 IonicContact CZ-OE2 2.71Å; R208-E219 IonicContact NE-OE2 2.65Å; R208-E219 PolarHBondContact NE-OE2 3.3Å; R208-E219 IonicContact NH2-OE2 3.33Å; R208-E219 PolarHBondContact NH2-OE2 3.09Å; Q209-E219 VanDerWaalsContact CG-CD 3.49Å; Q209-E219 HydrophobicContact CG-CG 4.41Å; Q209-E219 WeakPolarHBondContact CG-OE2 3.31Å; A212-E219 HydrophobicContact CB-CG 3.79Å; E219-I222 PolarHBondContact O-N 3.26Å; E219-K223 WeakPolarHBondContact O-CB 3.36Å; E219-K223 PolarHBondContact O-N 2.92Å |
| 220 | S | 96.4 | Very high | 96.9 | Very high | 73 Ų | 73 | 62.4 Ų | 62.4 | 51% | 0.51 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 175.7 | -172.4 | 0 | 0 | 0 | 0 | 112.5 | N218 I222 K223 I224 | N218-S220 PolarHBondContact O-N 3Å; S220-I222 VanDerWaalsContact C-N 3.35Å; S220-I222 PolarHBondContact O-N 2.94Å; S220-K223 PolarHBondContact O-N 3.47Å; S220-I224 WeakPolarHBondContact O-CB 3.48Å; S220-I224 WeakPolarHBondContact O-CD1 3.28Å; S220-I224 WeakPolarHBondContact O-CG1 3.32Å; S220-I224 PolarHBondContact O-N 2.86Å |
| 221 | Q | 96.3 | Very high | 96.8 | Very high | 41 Ų | 41 | 61.6 Ų | 61.6 | 19% | 0.192 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 176.4 | -71.5 | 170.8 | -65.1 | 0 | 0 | 110.9 | F185 N218 I224 W225 | F185-Q221 HydrophobicContact CE1-CB 4Å; F185-Q221 HydrophobicContact CE1-CG 4.49Å; F185-Q221 HydrophobicContact CZ-CB 3.93Å; N218-Q221 HydrophobicContact CB-CG 4.23Å; N218-Q221 PolarHBondContact ND2-OE1 3.06Å; N218-Q221 WeakPolarHBondContact O-CA 3.34Å; N218-Q221 WeakPolarHBondContact O-CB 3.43Å; N218-Q221 PolarHBondContact O-N 3.29Å; Q221-I224 PolarHBondContact O-N 3.5Å; Q221-W225 WeakPolarHBondContact O-CB 3.45Å; Q221-W225 PolarHBondContact O-N 3.14Å |
| 222 | I | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 175.8 | -62.4 | 172.9 | 0 | 0 | 0 | 110.6 | L193 L203 R208 L211 A212 L217 N218 E219 S220 I224 W225 F226 | L193-I222 HydrophobicContact CD2-CG1 4.33Å; L193-I222 HydrophobicContact CD2-CG2 4.07Å; L203-I222 HydrophobicContact CD1-CG2 3.39Å; R208-I222 HydrophobicContact CG-CG2 4.33Å; L211-I222 VanDerWaalsContact C-CD1 3.44Å; L211-I222 HydrophobicContact CB-CD1 3.8Å; L211-I222 HydrophobicContact CD1-CG2 4.47Å; A212-I222 VanDerWaalsContact CA-CD1 3.45Å; A212-I222 HydrophobicContact CB-CD1 3.94Å; A212-I222 VanDerWaalsContact N-CD1 3.3Å; L217-I222 HydrophobicContact CB-CD1 4.29Å; L217-I222 HydrophobicContact CB-CG1 4.25Å; N218-I222 PolarHBondContact O-N 3.18Å; E219-I222 PolarHBondContact O-N 3.26Å; S220-I222 VanDerWaalsContact C-N 3.35Å; S220-I222 PolarHBondContact O-N 2.94Å; I222-I224 VanDerWaalsContact C-N 3.34Å; I222-I224 PolarHBondContact O-N 3.09Å; I222-W225 PolarHBondContact O-N 2.89Å; I222-W225 VanDerWaalsContact O-N 3.16Å; I222-F226 HydrophobicContact CG2-CD2 3.99Å; I222-F226 HydrophobicContact CG2-CE2 4.14Å; I222-F226 WeakPolarHBondContact O-CD2 3.4Å; I222-F226 PolarHBondContact O-N 3.38Å |
| 223 | K | 96.9 | Very high | 96.3 | Very high | 112 Ų | 112 | 72.2 Ų | 72.2 | 49% | 0.487 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -55.2 | -47.5 | 174.9 | -178.5 | 176.6 | -179.9 | 176 | 0 | 111.6 | E219 S220 F226 Q227 | E219-K223 WeakPolarHBondContact O-CB 3.36Å; E219-K223 PolarHBondContact O-N 2.92Å; S220-K223 PolarHBondContact O-N 3.47Å; K223-F226 PolarHBondContact O-N 3.31Å; K223-Q227 VanDerWaalsContact O-CG 3.28Å; K223-Q227 WeakPolarHBondContact O-CG 3.27Å; K223-Q227 PolarHBondContact O-N 3.49Å |
| 224 | I | 96.8 | Very high | 96 | Very high | 82 Ų | 82 | 72.2 Ų | 72.2 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 176.9 | -70.4 | 164.5 | 0 | 0 | 0 | 111 | S220 Q221 I222 Q227 N228 | S220-I224 WeakPolarHBondContact O-CB 3.48Å; S220-I224 WeakPolarHBondContact O-CD1 3.28Å; S220-I224 WeakPolarHBondContact O-CG1 3.32Å; S220-I224 PolarHBondContact O-N 2.86Å; Q221-I224 PolarHBondContact O-N 3.5Å; I222-I224 VanDerWaalsContact C-N 3.34Å; I222-I224 PolarHBondContact O-N 3.09Å; I224-Q227 PolarHBondContact O-N 2.63Å; I224-N228 WeakPolarHBondContact CG2-ND2 3.35Å; I224-N228 WeakPolarHBondContact O-CB 3.48Å; I224-N228 PolarHBondContact O-N 3.32Å; I224-N228 PolarHBondContact O-ND2 2.88Å |
| 225 | W | 97.3 | Very high | 95.5 | Very high | 31 Ų | 31 | 76.4 Ų | 76.4 | 12% | 0.117 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 177.1 | -172.4 | 102.1 | 0 | 0 | 0 | 111.6 | F185 L190 L193 K194 F197 Q221 I222 Q227 N228 K229 | F185-W225 AromaticContact CD2-CD1 3.78Å; F185-W225 HydrophobicContact CE2-CB 4.32Å; F185-W225 AromaticContact CE2-CD1 3.67Å; F185-W225 HydrophobicContact CE2-CG 4.37Å; L190-W225 VanDerWaalsContact CD2-NE1 3.31Å; L193-W225 VanDerWaalsContact C-CH2 3.49Å; L193-W225 HydrophobicContact CB-CD2 4.11Å; L193-W225 HydrophobicContact CB-CE3 4.09Å; L193-W225 HydrophobicContact CB-CH2 3.75Å; L193-W225 HydrophobicContact CB-CZ2 3.74Å; L193-W225 HydrophobicContact CB-CZ3 3.93Å; L193-W225 HydrophobicContact CD1-CD2 4.06Å; L193-W225 HydrophobicContact CD1-CG 4.04Å; L193-W225 WeakPolarHBondContact O-CH2 3.49Å; L193-W225 WeakPolarHBondContact O-CZ3 3.48Å; K194-W225 HydrophobicContact CG-CH2 4.42Å; K194-W225 HydrophobicContact CG-CZ2 4.33Å; F197-W225 HydrophobicContact CB-CH2 4.1Å; F197-W225 HydrophobicContact CB-CZ3 3.93Å; F197-W225 HydrophobicContact CD2-CZ3 4.08Å; F197-W225 HydrophobicContact CG-CZ3 4.2Å; Q221-W225 WeakPolarHBondContact O-CB 3.45Å; Q221-W225 PolarHBondContact O-N 3.14Å; I222-W225 PolarHBondContact O-N 2.89Å; I222-W225 VanDerWaalsContact O-N 3.16Å; W225-Q227 PolarHBondContact O-N 3.11Å; W225-N228 PolarHBondContact O-N 3.04Å; W225-K229 HydrophobicContact CE3-CB 4.15Å; W225-K229 HydrophobicContact CH2-CB 4.38Å; W225-K229 HydrophobicContact CH2-CD 4.25Å; W225-K229 HydrophobicContact CH2-CG 4.08Å; W225-K229 HydrophobicContact CZ3-CB 4.01Å; W225-K229 HydrophobicContact CZ3-CG 4Å; W225-K229 VanDerWaalsContact O-CB 3.3Å; W225-K229 WeakPolarHBondContact O-CB 3.4Å; W225-K229 PolarHBondContact O-N 3.42Å |
| 226 | F | 98.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 79.3 Ų | 79.3 | 3% | 0.031 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.2 | -38.6 | 177.8 | -91.3 | -105.1 | 0 | 0 | 0 | 112.4 | L193 E196 F197 L203 I222 K223 R230 | L193-F226 HydrophobicContact CD2-CE2 3.93Å; E196-F226 HydrophobicContact CB-CZ 4.3Å; F197-F226 HydrophobicContact CB-CE1 4.21Å; F197-F226 HydrophobicContact CB-CZ 4.25Å; F197-F226 AromaticContact CD2-CD1 3.68Å; F197-F226 HydrophobicContact CD2-CD1 3.68Å; F197-F226 AromaticContact CD2-CE1 3.63Å; F197-F226 HydrophobicContact CD2-CE1 3.63Å; F197-F226 HydrophobicContact CD2-CG 4.43Å; F197-F226 HydrophobicContact CD2-CZ 4.34Å; F197-F226 HydrophobicContact CE2-CD1 4.19Å; F197-F226 HydrophobicContact CG-CE1 4.41Å; L203-F226 HydrophobicContact CD1-CD1 4.19Å; L203-F226 HydrophobicContact CD1-CD2 3.57Å; L203-F226 HydrophobicContact CD1-CE1 4.1Å; L203-F226 HydrophobicContact CD1-CE2 3.51Å; L203-F226 HydrophobicContact CD1-CG 3.95Å; L203-F226 HydrophobicContact CD1-CZ 3.78Å; L203-F226 HydrophobicContact CD2-CE1 3.93Å; L203-F226 HydrophobicContact CD2-CE2 4.36Å; L203-F226 HydrophobicContact CD2-CZ 3.79Å; L203-F226 HydrophobicContact CG-CD1 3.84Å; L203-F226 HydrophobicContact CG-CD2 4.15Å; L203-F226 HydrophobicContact CG-CE1 3.62Å; L203-F226 HydrophobicContact CG-CE2 3.98Å; L203-F226 HydrophobicContact CG-CG 4.11Å; L203-F226 HydrophobicContact CG-CZ 3.71Å; I222-F226 HydrophobicContact CG2-CD2 3.99Å; I222-F226 HydrophobicContact CG2-CE2 4.14Å; I222-F226 WeakPolarHBondContact O-CD2 3.4Å; I222-F226 PolarHBondContact O-N 3.38Å; K223-F226 PolarHBondContact O-N 3.31Å; F226-R230 PolarHBondContact O-N 3.43Å |
| 227 | Q | 97.7 | Very high | 94.1 | Very high | 93 Ų | 93 | 80.3 Ų | 80.3 | 44% | 0.435 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.3 | -49.3 | 172.4 | -73.1 | 174.6 | 10.9 | 0 | 0 | 111.7 | K223 I224 W225 K229 R230 A231 | K223-Q227 VanDerWaalsContact O-CG 3.28Å; K223-Q227 WeakPolarHBondContact O-CG 3.27Å; K223-Q227 PolarHBondContact O-N 3.49Å; I224-Q227 PolarHBondContact O-N 2.63Å; W225-Q227 PolarHBondContact O-N 3.11Å; Q227-K229 VanDerWaalsContact C-N 3.33Å; Q227-K229 PolarHBondContact O-N 2.92Å; Q227-R230 PolarHBondContact O-N 2.84Å; Q227-A231 VanDerWaalsContact O-CB 3.32Å; Q227-A231 WeakPolarHBondContact O-CB 3.22Å; Q227-A231 PolarHBondContact O-N 2.97Å |
| 228 | N | 96.9 | Very high | 92.6 | Very high | 105 Ų | 105 | 82 Ų | 82 | 56% | 0.561 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.4 | -39.6 | 177.7 | -77.3 | -34.7 | 0 | 0 | 0 | 112.3 | I224 W225 A231 K232 | I224-N228 WeakPolarHBondContact CG2-ND2 3.35Å; I224-N228 WeakPolarHBondContact O-CB 3.48Å; I224-N228 PolarHBondContact O-N 3.32Å; I224-N228 PolarHBondContact O-ND2 2.88Å; W225-N228 PolarHBondContact O-N 3.04Å; N228-A231 PolarHBondContact O-N 3.15Å; N228-K232 WeakPolarHBondContact O-CB 3.4Å; N228-K232 PolarHBondContact O-N 3.29Å |
| 229 | K | 96.4 | Very high | 91.3 | Very high | 72 Ų | 72 | 82.6 Ų | 82.6 | 31% | 0.313 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 177.3 | -178 | 65.6 | 175.1 | 179.7 | 0 | 111.6 | F197 W225 Q227 K232 I233 | F197-K229 HydrophobicContact CD1-CD 4.33Å; F197-K229 VanDerWaalsContact CD1-CE 3.49Å; F197-K229 HydrophobicContact CD1-CG 3.76Å; F197-K229 HydrophobicContact CD2-CB 4.2Å; F197-K229 HydrophobicContact CD2-CG 3.57Å; F197-K229 HydrophobicContact CE1-CD 4.32Å; F197-K229 HydrophobicContact CE1-CG 3.65Å; F197-K229 HydrophobicContact CE2-CB 3.97Å; F197-K229 HydrophobicContact CE2-CG 3.46Å; F197-K229 VanDerWaalsContact CE2-CG 3.46Å; F197-K229 HydrophobicContact CG-CG 3.73Å; F197-K229 HydrophobicContact CZ-CB 4.34Å; F197-K229 HydrophobicContact CZ-CG 3.5Å; W225-K229 HydrophobicContact CE3-CB 4.15Å; W225-K229 HydrophobicContact CH2-CB 4.38Å; W225-K229 HydrophobicContact CH2-CD 4.25Å; W225-K229 HydrophobicContact CH2-CG 4.08Å; W225-K229 HydrophobicContact CZ3-CB 4.01Å; W225-K229 HydrophobicContact CZ3-CG 4Å; W225-K229 VanDerWaalsContact O-CB 3.3Å; W225-K229 WeakPolarHBondContact O-CB 3.4Å; W225-K229 PolarHBondContact O-N 3.42Å; Q227-K229 VanDerWaalsContact C-N 3.33Å; Q227-K229 PolarHBondContact O-N 2.92Å; K229-K232 PolarHBondContact O-N 3.46Å; K229-I233 WeakPolarHBondContact O-CG1 3.41Å; K229-I233 PolarHBondContact O-N 2.83Å; K229-I233 VanDerWaalsContact O-N 3.12Å |
| 230 | R | 96.4 | Very high | 90 | Very high | 82 Ų | 82 | 87.6 Ų | 87.6 | 31% | 0.309 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 172.8 | -74.6 | -169.1 | -74 | 131.5 | -3.8 | 112.2 | F197 R201 Y202 F226 Q227 K232 I233 K234 | F197-R230 HydrophobicContact CE2-CG 3.84Å; F197-R230 HydrophobicContact CZ-CG 3.99Å; R201-R230 VanDerWaalsContact O-CD 3.32Å; R201-R230 WeakPolarHBondContact O-CD 3.37Å; Y202-R230 VanDerWaalsContact CE1-CZ 3.44Å; F226-R230 PolarHBondContact O-N 3.43Å; Q227-R230 PolarHBondContact O-N 2.84Å; R230-K232 PolarHBondContact O-N 3.1Å; R230-I233 PolarHBondContact O-N 2.91Å; R230-K234 PolarHBondContact O-N 3.44Å |
| 231 | A | 94.6 | Very high | 89.1 | Confident | 44 Ų | 44 | 89.4 Ų | 89.4 | 36% | 0.364 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q227 N228 K234 K235 | Q227-A231 VanDerWaalsContact O-CB 3.32Å; Q227-A231 WeakPolarHBondContact O-CB 3.22Å; Q227-A231 PolarHBondContact O-N 2.97Å; N228-A231 PolarHBondContact O-N 3.15Å; A231-K234 PolarHBondContact O-N 3.35Å; A231-K235 WeakPolarHBondContact O-CB 3.44Å; A231-K235 WeakPolarHBondContact O-CG 3.32Å; A231-K235 PolarHBondContact O-N 3.21Å |
| 232 | K | 93.1 | Very high | 88.2 | Confident | 161 Ų | 161 | 91.9 Ų | 91.9 | 70% | 0.7 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.2 | -42.3 | 174.5 | -174.4 | 173.7 | 179.7 | 176 | 0 | 111.7 | N228 K229 R230 K235 A236 | N228-K232 WeakPolarHBondContact O-CB 3.4Å; N228-K232 PolarHBondContact O-N 3.29Å; K229-K232 PolarHBondContact O-N 3.46Å; R230-K232 PolarHBondContact O-N 3.1Å; K232-K235 PolarHBondContact O-N 2.95Å; K232-A236 WeakPolarHBondContact O-CB 3.33Å; K232-A236 PolarHBondContact O-N 3.2Å |
| 233 | I | 91.6 | Very high | 87.4 | Confident | 76 Ų | 76 | 96.3 Ų | 96.3 | 39% | 0.39 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 176.3 | -69.1 | 166.2 | 0 | 0 | 0 | 110.9 | F197 K229 R230 K235 A236 S237 | F197-I233 HydrophobicContact CE1-CD1 3.35Å; F197-I233 HydrophobicContact CZ-CD1 3.62Å; K229-I233 WeakPolarHBondContact O-CG1 3.41Å; K229-I233 PolarHBondContact O-N 2.83Å; K229-I233 VanDerWaalsContact O-N 3.12Å; R230-I233 PolarHBondContact O-N 2.91Å; I233-K235 VanDerWaalsContact C-N 3.26Å; I233-K235 PolarHBondContact O-N 3.29Å; I233-A236 CarbonylContact O-C 3.57Å; I233-A236 WeakPolarHBondContact O-CA 3.28Å; I233-A236 PolarHBondContact O-N 2.96Å; I233-S237 WeakPolarHBondContact O-CB 3.16Å; I233-S237 PolarHBondContact O-N 3.29Å |
| 234 | K | 90.6 | Very high | 86.5 | Confident | 157 Ų | 157 | 92 Ų | 92 | 68% | 0.683 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.2 | -39.6 | 176.2 | -170.3 | 174.2 | 71.6 | 166 | 0 | 112.1 | R230 A231 | R230-K234 PolarHBondContact O-N 3.44Å; A231-K234 PolarHBondContact O-N 3.35Å |
| 235 | K | 86.3 | Confident | 85.7 | Confident | 182 Ų | 182 | 92.5 Ų | 92.5 | 79% | 0.791 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.4 | -31.8 | 174.1 | -74.4 | -178.3 | 66 | 173.9 | 0 | 113.7 | A231 K232 I233 | A231-K235 WeakPolarHBondContact O-CB 3.44Å; A231-K235 WeakPolarHBondContact O-CG 3.32Å; A231-K235 PolarHBondContact O-N 3.21Å; K232-K235 PolarHBondContact O-N 2.95Å; I233-K235 VanDerWaalsContact C-N 3.26Å; I233-K235 PolarHBondContact O-N 3.29Å |
| 236 | A | 83.5 | Confident | 85 | Confident | 84 Ų | 84 | 95.4 Ų | 95.4 | 69% | 0.694 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -79.3 | -28.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K232 I233 G238 | K232-A236 WeakPolarHBondContact O-CB 3.33Å; K232-A236 PolarHBondContact O-N 3.2Å; I233-A236 CarbonylContact O-C 3.57Å; I233-A236 WeakPolarHBondContact O-CA 3.28Å; I233-A236 PolarHBondContact O-N 2.96Å; A236-G238 PolarHBondContact O-N 2.9Å |
| 237 | S | 80.3 | Confident | 84.3 | Confident | 90 Ų | 90 | 96.4 Ų | 96.4 | 63% | 0.629 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 24.5 | -176 | -163.4 | 0 | 0 | 0 | 0 | 115.2 | I233 T239 | I233-S237 WeakPolarHBondContact O-CB 3.16Å; I233-S237 PolarHBondContact O-N 3.29Å; S237-T239 PolarHBondContact O-N 3.14Å |
| 238 | G | 64.4 | Low | 83.6 | Confident | 53 Ų | 53 | 96 Ų | 96 | 55% | 0.546 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -6.7 | 159 | 0 | 0 | 0 | 0 | 0 | 118.3 | A236 K240 | A236-G238 PolarHBondContact O-N 2.9Å; G238-K240 PolarHBondContact O-N 2.74Å |
| 239 | T | 69.6 | Low | 82.7 | Confident | 126 Ų | 126 | 95.3 Ų | 95.3 | 77% | 0.773 | 53% | 0.527 | S | S | * | . | trans | -70.8 | 77.3 | 168.5 | -42.1 | 0 | 0 | 0 | 0 | 110 | S237 N241 | S237-T239 PolarHBondContact O-N 3.14Å; T239-N241 PolarHBondContact O-N 3.19Å | ||
| 240 | K | 69.8 | Low | 82.1 | Confident | 169 Ų | 169 | 95.8 Ų | 95.8 | 74% | 0.735 | 53% | 0.53 | S | S | * | . | trans | -53.7 | 125.5 | 170.1 | -62.4 | 174 | -172.6 | 174.7 | 0 | 106.8 | G238 S242 | G238-K240 PolarHBondContact O-N 2.74Å; K240-S242 PolarHBondContact O-N 3.32Å | ||
| 241 | N | 77.8 | Confident | 81.5 | Confident | 111 Ų | 111 | 94 Ų | 94 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | trans | -65.3 | 109.1 | 179 | -173.5 | -18.6 | 0 | 0 | 0 | 107.7 | T239 L243 A244 L245 | T239-N241 PolarHBondContact O-N 3.19Å; N241-L243 PolarHBondContact O-N 2.87Å; N241-L243 PolarHBondContact OD1-N 3.31Å; N241-A244 HydrophobicContact CB-CB 4.04Å; N241-A244 WeakPolarHBondContact O-CA 3.49Å; N241-A244 WeakPolarHBondContact O-CB 2.97Å; N241-A244 PolarHBondContact O-N 2.9Å; N241-L245 PolarHBondContact O-N 3Å | ||
| 242 | S | 78.4 | Confident | 80.9 | Confident | 93 Ų | 93 | 94.3 Ų | 94.3 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -55.9 | -37.7 | -171.7 | -173.4 | 0 | 0 | 0 | 0 | 111.9 | K240 A244 L245 H246 | K240-S242 PolarHBondContact O-N 3.32Å; S242-A244 PolarHBondContact O-N 2.95Å; S242-L245 WeakPolarHBondContact O-CB 3.44Å; S242-L245 PolarHBondContact O-N 3.37Å; S242-L245 VanDerWaalsContact O-N 3.14Å; S242-H246 PolarHBondContact O-N 3.08Å |
| 243 | L | 80.3 | Confident | 80.2 | Confident | 92 Ų | 92 | 91.2 Ų | 91.2 | 48% | 0.482 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 173 | 179.4 | 62.4 | 0 | 0 | 0 | 112.5 | N241 L245 H246 L247 | N241-L243 PolarHBondContact O-N 2.87Å; N241-L243 PolarHBondContact OD1-N 3.31Å; L243-L245 VanDerWaalsContact C-N 3.32Å; L243-L245 PolarHBondContact O-N 3.35Å; L243-H246 PolarHBondContact O-N 3.43Å; L243-L247 HydrophobicContact CD1-CD1 4.06Å; L243-L247 HydrophobicContact CD1-CG 4.2Å; L243-L247 HydrophobicContact CG-CD1 3.94Å; L243-L247 HydrophobicContact CG-CG 4.48Å; L243-L247 WeakPolarHBondContact O-CB 3.35Å; L243-L247 VanDerWaalsContact O-CG 3.22Å; L243-L247 WeakPolarHBondContact O-CG 3.23Å; L243-L247 PolarHBondContact O-N 2.69Å |
| 244 | A | 76.6 | Confident | 79 | Confident | 23 Ų | 23 | 91.3 Ų | 91.3 | 19% | 0.19 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -67 | -34.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N241 S242 M248 Y253 | N241-A244 HydrophobicContact CB-CB 4.04Å; N241-A244 WeakPolarHBondContact O-CA 3.49Å; N241-A244 WeakPolarHBondContact O-CB 2.97Å; N241-A244 PolarHBondContact O-N 2.9Å; S242-A244 PolarHBondContact O-N 2.95Å; A244-M248 WeakPolarHBondContact O-CB 3.04Å; A244-M248 VanDerWaalsContact O-CG 3.27Å; A244-M248 WeakPolarHBondContact O-CG 3.07Å; A244-M248 PolarHBondContact O-N 3.2Å; A244-Y253 HydrophobicContact CB-CE1 4.41Å |
| 245 | L | 80.9 | Confident | 77.7 | Confident | 92 Ų | 92 | 88.7 Ų | 88.7 | 48% | 0.482 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.4 | -42.9 | 174.6 | -174.6 | 60 | 0 | 0 | 0 | 112 | N241 S242 L243 M248 A249 | N241-L245 PolarHBondContact O-N 3Å; S242-L245 WeakPolarHBondContact O-CB 3.44Å; S242-L245 PolarHBondContact O-N 3.37Å; S242-L245 VanDerWaalsContact O-N 3.14Å; L243-L245 VanDerWaalsContact C-N 3.32Å; L243-L245 PolarHBondContact O-N 3.35Å; L245-M248 HydrophobicContact CB-CE 4.37Å; L245-M248 HydrophobicContact CD1-CE 3.85Å; L245-M248 PolarHBondContact O-N 3.4Å; L245-A249 PolarHBondContact O-N 3.46Å |
| 246 | H | 82.6 | Confident | 76.3 | Confident | 91 Ų | 91 | 84.1 Ų | 84.1 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 174.5 | -172.4 | 80.2 | 0 | 0 | 0 | 112.1 | S242 L243 M248 A249 Q250 | S242-H246 PolarHBondContact O-N 3.08Å; L243-H246 PolarHBondContact O-N 3.43Å; H246-M248 VanDerWaalsContact C-N 3.34Å; H246-M248 PolarHBondContact O-N 3.32Å; H246-A249 PolarHBondContact O-N 2.71Å; H246-Q250 PolarHBondContact NE2-NE2 3.19Å; H246-Q250 PolarHBondContact O-N 2.85Å |
| 247 | L | 83.4 | Confident | 74.7 | Confident | 29 Ų | 29 | 84.8 Ų | 84.8 | 15% | 0.152 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -69 | -28.4 | 176.2 | -67.3 | 168.3 | 0 | 0 | 0 | 113 | L243 G251 L252 Y253 | L243-L247 HydrophobicContact CD1-CD1 4.06Å; L243-L247 HydrophobicContact CD1-CG 4.2Å; L243-L247 HydrophobicContact CG-CD1 3.94Å; L243-L247 HydrophobicContact CG-CG 4.48Å; L243-L247 WeakPolarHBondContact O-CB 3.35Å; L243-L247 VanDerWaalsContact O-CG 3.22Å; L243-L247 WeakPolarHBondContact O-CG 3.23Å; L243-L247 PolarHBondContact O-N 2.69Å; L247-G251 PolarHBondContact O-N 3.31Å; L247-L252 HydrophobicContact CD2-CB 4.08Å; L247-L252 HydrophobicContact CD2-CD1 4.06Å; L247-L252 PolarHBondContact O-N 3.15Å; L247-Y253 PolarHBondContact O-N 3.32Å; L247-Y253 VanDerWaalsContact O-N 3.09Å |
| 248 | M | 81.8 | Confident | 73.1 | Confident | 84 Ų | 84 | 86 Ų | 86 | 41% | 0.414 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.5 | -45.9 | 169 | -77 | -174.7 | -62.5 | 0 | 0 | 111 | A244 L245 H246 Q250 G251 Y253 H255 | A244-M248 WeakPolarHBondContact O-CB 3.04Å; A244-M248 VanDerWaalsContact O-CG 3.27Å; A244-M248 WeakPolarHBondContact O-CG 3.07Å; A244-M248 PolarHBondContact O-N 3.2Å; L245-M248 HydrophobicContact CB-CE 4.37Å; L245-M248 HydrophobicContact CD1-CE 3.85Å; L245-M248 PolarHBondContact O-N 3.4Å; H246-M248 VanDerWaalsContact C-N 3.34Å; H246-M248 PolarHBondContact O-N 3.32Å; M248-Q250 PolarHBondContact O-N 3.03Å; M248-G251 PolarHBondContact O-N 3.22Å; M248-Y253 HydrophobicContact CG-CD1 3.7Å; M248-Y253 WeakPolarHBondContact CG-O 3.09Å; M248-Y253 HydrophobicContact SD-CD1 4.32Å; M248-H255 HydrophobicContact SD-CB 4.11Å |
| 249 | A | 78.9 | Confident | 72.1 | Confident | 91 Ų | 91 | 89.3 Ų | 89.3 | 75% | 0.752 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -29.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | L245 H246 G251 | L245-A249 PolarHBondContact O-N 3.46Å; H246-A249 PolarHBondContact O-N 2.71Å; A249-G251 VanDerWaalsContact C-N 3.35Å |
| 250 | Q | 84.6 | Confident | 70.6 | Confident | 81 Ų | 81 | 87.6 Ų | 87.6 | 38% | 0.379 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 2.2 | 174.6 | -70.8 | 175.3 | -15.9 | 0 | 0 | 114.2 | H246 M248 L252 | H246-Q250 PolarHBondContact NE2-NE2 3.19Å; H246-Q250 PolarHBondContact O-N 2.85Å; M248-Q250 PolarHBondContact O-N 3.03Å; Q250-L252 HydrophobicContact CB-CD1 4.17Å; Q250-L252 HydrophobicContact CB-CG 4.11Å; Q250-L252 PolarHBondContact O-N 3.24Å; Q250-L252 VanDerWaalsContact O-N 3.11Å |
| 251 | G | 83.6 | Confident | 69.3 | Low | 46 Ų | 46 | 87.2 Ų | 87.2 | 47% | 0.474 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | -2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L247 M248 A249 Y253 | L247-G251 PolarHBondContact O-N 3.31Å; M248-G251 PolarHBondContact O-N 3.22Å; A249-G251 VanDerWaalsContact C-N 3.35Å; G251-Y253 VanDerWaalsContact C-N 3.3Å; G251-Y253 PolarHBondContact O-N 3.3Å |
| 252 | L | 80.9 | Confident | 67.7 | Low | 50 Ų | 50 | 88.2 Ų | 88.2 | 26% | 0.262 | 51% | 0.511 | S | S | . | . | trans | -78.2 | -10 | -176.7 | -62.6 | 177.4 | 0 | 0 | 0 | 113.8 | L247 Q250 | L247-L252 HydrophobicContact CD2-CB 4.08Å; L247-L252 HydrophobicContact CD2-CD1 4.06Å; L247-L252 PolarHBondContact O-N 3.15Å; Q250-L252 HydrophobicContact CB-CD1 4.17Å; Q250-L252 HydrophobicContact CB-CG 4.11Å; Q250-L252 PolarHBondContact O-N 3.24Å; Q250-L252 VanDerWaalsContact O-N 3.11Å | ||
| 253 | Y | 77.6 | Confident | 66.2 | Low | 96 Ų | 96 | 90.5 Ų | 90.5 | 38% | 0.376 | 51% | 0.511 | S | S | . | . | trans | -133 | 100.6 | -179.7 | -173.4 | -100.8 | 0 | 0 | 0 | 112.7 | A244 L247 M248 G251 H255 | A244-Y253 HydrophobicContact CB-CE1 4.41Å; L247-Y253 PolarHBondContact O-N 3.32Å; L247-Y253 VanDerWaalsContact O-N 3.09Å; M248-Y253 HydrophobicContact CG-CD1 3.7Å; M248-Y253 WeakPolarHBondContact CG-O 3.09Å; M248-Y253 HydrophobicContact SD-CD1 4.32Å; G251-Y253 VanDerWaalsContact C-N 3.3Å; G251-Y253 PolarHBondContact O-N 3.3Å; Y253-H255 HydrophobicContact CD1-CB 4.3Å; Y253-H255 HydrophobicContact CE1-CB 3.93Å; Y253-H255 AromaticContact CE1-CD2 3.83Å; Y253-H255 PolarHBondContact O-N 3.48Å | ||
| 254 | N | 66.9 | Low | 64.9 | Low | 78 Ų | 78 | 94.6 Ų | 94.6 | 42% | 0.417 | 53% | 0.525 | S | S | . | . | trans | -84.4 | 101 | 177 | -92.9 | -74.2 | 0 | 0 | 0 | 112.1 | Y156 A256 | Y156-N254 HydrophobicContact CD1-CB 3.89Å; Y156-N254 HydrophobicContact CE1-CB 4.02Å; N254-A256 VanDerWaalsContact C-N 3.26Å; N254-A256 PolarHBondContact O-N 3.25Å | ||
| 255 | H | 64.1 | Low | 63.7 | Low | 101 Ų | 101 | 98.7 Ų | 98.7 | 47% | 0.468 | 55% | 0.552 | S | S | . | * | trans | -90.4 | 39.2 | 172.8 | -160.9 | -79.3 | 0 | 0 | 0 | 112.6 | M248 Y253 T257 | M248-H255 HydrophobicContact SD-CB 4.11Å; Y253-H255 HydrophobicContact CD1-CB 4.3Å; Y253-H255 HydrophobicContact CE1-CB 3.93Å; Y253-H255 AromaticContact CE1-CD2 3.83Å; Y253-H255 PolarHBondContact O-N 3.48Å; H255-T257 PolarHBondContact O-N 3.32Å | ||
| 256 | A | 56.5 | Low | 62.2 | Low | 87 Ų | 87 | 100.5 Ų | 100.5 | 72% | 0.719 | 56% | 0.562 | S | S | * | * | trans | -72.7 | 44.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | N254 | N254-A256 VanDerWaalsContact C-N 3.26Å; N254-A256 PolarHBondContact O-N 3.25Å | ||
| 257 | T | 50.3 | Low | 60.9 | Low | 97 Ų | 97 | 101.5 Ų | 101.5 | 60% | 0.595 | 58% | 0.579 | S | S | * | * | trans | -120.4 | 27.1 | 167.5 | 69.5 | 0 | 0 | 0 | 0 | 111 | H255 T259 | H255-T257 PolarHBondContact O-N 3.32Å; T257-T259 VanDerWaalsContact C-N 3.34Å; T257-T259 PolarHBondContact O-N 2.86Å; T257-T259 VanDerWaalsContact O-N 3.11Å | ||
| 258 | V | 45.3 | Very low | 59.4 | Low | 115 Ų | 115 | 111.6 Ų | 111.6 | 70% | 0.697 | 63% | 0.634 | S | S | * | * | trans | -65.3 | 104.5 | 154.4 | -180 | 0 | 0 | 0 | 0 | 105 | S260 | V258-S260 PolarHBondContact O-N 2.98Š| ||
| 259 | T | 43.5 | Very low | 58.2 | Low | 123 Ų | 123 | 113 Ų | 113 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | trans | -59.7 | 117.5 | 160.7 | 46.2 | 0 | 0 | 0 | 0 | 106.1 | T257 K261 | T257-T259 VanDerWaalsContact C-N 3.34Å; T257-T259 PolarHBondContact O-N 2.86Å; T257-T259 VanDerWaalsContact O-N 3.11Å; T259-K261 VanDerWaalsContact C-N 3.32Å; T259-K261 PolarHBondContact O-N 3.48Å | ||
| 260 | S | 38.8 | Very low | 57.2 | Low | 90 Ų | 90 | 114.2 Ų | 114.2 | 63% | 0.629 | 64% | 0.639 | S | S | * | * | trans | -52.4 | 100.5 | 169.5 | -34.2 | 0 | 0 | 0 | 0 | 107.7 | V258 D262 | V258-S260 PolarHBondContact O-N 2.98Å; S260-D262 VanDerWaalsContact CB-OD2 3.25Å; S260-D262 WeakPolarHBondContact CB-OD2 3.48Å; S260-D262 PolarHBondContact O-N 3.46Å | ||
| 261 | K | 43.6 | Very low | 55.6 | Low | 161 Ų | 161 | 116 Ų | 116 | 70% | 0.7 | 65% | 0.654 | S | S | * | * | trans | -87.8 | 82.1 | 154.3 | -175.3 | 173 | 178.8 | -88.8 | 0 | 102.8 | T259 E263 | T259-K261 VanDerWaalsContact C-N 3.32Å; T259-K261 PolarHBondContact O-N 3.48Å; K261-E263 IonicContact NZ-OE1 2.81Å; K261-E263 PolarHBondContact NZ-OE1 3.42Å; K261-E263 PolarHBondContact O-N 3.06Å | ||
| 262 | D | 43.4 | Very low | 54 | Low | 133 Ų | 133 | 120.1 Ų | 120.1 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | trans | -59.7 | 110 | 175.7 | -65.9 | -62.7 | 0 | 0 | 0 | 106.8 | S260 K264 | S260-D262 VanDerWaalsContact CB-OD2 3.25Å; S260-D262 WeakPolarHBondContact CB-OD2 3.48Å; S260-D262 PolarHBondContact O-N 3.46Å; D262-K264 PolarHBondContact O-N 2.84Å | ||
| 263 | E | 47.6 | Very low | 52.3 | Low | 140 Ų | 140 | 124.5 Ų | 124.5 | 65% | 0.654 | 69% | 0.689 | S | S | * | * | trans | -70.1 | 84.3 | 169.9 | -65.9 | -71.1 | 118.2 | 0 | 0 | 106.3 | K261 S265 | K261-E263 IonicContact NZ-OE1 2.81Å; K261-E263 PolarHBondContact NZ-OE1 3.42Å; K261-E263 PolarHBondContact O-N 3.06Å; E263-S265 PolarHBondContact O-N 3.22Å | ||
| 264 | K | 51.3 | Low | 50.6 | Low | 178 Ų | 178 | 126.4 Ų | 126.4 | 77% | 0.774 | 71% | 0.71 | S | S | * | * | trans | -70.6 | 74.5 | 163.9 | -174.8 | -179.3 | 167.4 | 87.8 | 0 | 107.4 | D262 D266 | D262-K264 PolarHBondContact O-N 2.84Å; K264-D266 PolarHBondContact O-N 3.23Å | ||
| 265 | S | 51 | Low | 49.5 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | trans | -69.9 | 112.1 | 160.8 | 47.8 | 0 | 0 | 0 | 0 | 107.3 | E263 | E263-S265 PolarHBondContact O-N 3.22Š| ||
| 266 | D | 50.2 | Low | 48.3 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -65.3 | 163 | 178.9 | -130.3 | -119.4 | 0 | 0 | 0 | 111.4 | K264 | K264-D266 PolarHBondContact O-N 3.23Š| ||
| 267 | S | 56.5 | Low | 47.6 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -66 | 154.2 | 179.6 | -71.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 268 | D | 50.2 | Low | 47.4 | Very low | 242 Ų | 242 | 139.4 Ų | 139.4 | 100% | 1.294 | 77% | 0.768 | S | S | * | * | trans | -111.2 | 0 | 141 | -157.5 | -111.9 | 0 | 0 | 0 | 106.6 |
Retrieved 268 of 268 residues in 425 ms
(Link to these results)