| 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 | 46.4 | Very low | 57.4 | Low | 192 Ų | 192 | 131.5 Ų | 131.5 | 95% | 0.946 | 66% | 0.66 | S | S | * | * | 0 | -55 | 0 | -87.1 | -92.5 | -79.6 | 0 | 0 | 109.3 | E3 L4 T5 | M1-E3 PolarHBondContact O-N 2.81Å; M1-L4 WeakPolarHBondContact O-CB 3.49Å; M1-L4 PolarHBondContact O-N 2.99Å; M1-T5 PolarHBondContact O-N 3.4Å; M1-T5 PolarHBondContact O-OG1 3.24Å; M1-T5 VanDerWaalsContact O-OG1 3.13Å | |||
| 2 | E | 52.6 | Low | 56.2 | Low | 173 Ų | 173 | 127.3 Ų | 127.3 | 81% | 0.808 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -55.5 | -43.3 | 176.2 | -72.6 | 173.3 | 148.9 | 0 | 0 | 114.5 | L4 T5 E6 | E2-L4 PolarHBondContact O-N 3.23Å; E2-T5 PolarHBondContact O-N 3.24Å; E2-T5 VanDerWaalsContact O-N 3.1Å; E2-E6 PolarHBondContact O-N 3.21Å |
| 3 | E | 55.5 | Low | 54.8 | Low | 151 Ų | 151 | 122.6 Ų | 122.6 | 71% | 0.706 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.5 | -25.8 | 175.3 | -88 | -171.5 | 141.9 | 0 | 0 | 114.4 | M1 K7 | M1-E3 PolarHBondContact O-N 2.81Å; E3-K7 PolarHBondContact O-N 3.37Å |
| 4 | L | 65.7 | Low | 53.3 | Low | 129 Ų | 129 | 126.4 Ų | 126.4 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -80 | -33.6 | 176.2 | -74.9 | 164.9 | 0 | 0 | 0 | 110.8 | M1 E2 S8 | M1-L4 WeakPolarHBondContact O-CB 3.49Å; M1-L4 PolarHBondContact O-N 2.99Å; E2-L4 PolarHBondContact O-N 3.23Å; L4-S8 PolarHBondContact O-N 2.93Å; L4-S8 VanDerWaalsContact O-N 3.16Å |
| 5 | T | 69.1 | Low | 52 | Low | 77 Ų | 77 | 126.7 Ų | 126.7 | 47% | 0.472 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -69.2 | -39.6 | 175.9 | -41.4 | 0 | 0 | 0 | 0 | 111.3 | M1 E2 S8 N9 | M1-T5 PolarHBondContact O-N 3.4Å; M1-T5 PolarHBondContact O-OG1 3.24Å; M1-T5 VanDerWaalsContact O-OG1 3.13Å; E2-T5 PolarHBondContact O-N 3.24Å; E2-T5 VanDerWaalsContact O-N 3.1Å; T5-S8 PolarHBondContact O-N 2.83Å; T5-N9 PolarHBondContact O-N 3.25Å |
| 6 | E | 64.1 | Low | 50.5 | Low | 140 Ų | 140 | 124.9 Ų | 124.9 | 65% | 0.654 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -67.3 | -40.9 | 179.5 | -158.7 | 174.3 | -158 | 0 | 0 | 112.2 | E2 S8 N9 M10 | E2-E6 PolarHBondContact O-N 3.21Å; E6-S8 VanDerWaalsContact C-N 3.34Å; E6-S8 PolarHBondContact O-N 3.21Å; E6-N9 PolarHBondContact O-N 2.86Å; E6-M10 PolarHBondContact O-N 3.5Å |
| 7 | K | 65.2 | Low | 49.2 | Very low | 148 Ų | 148 | 121.1 Ų | 121.1 | 64% | 0.643 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.1 | -33.7 | 173.7 | -77.8 | -179.9 | 178.1 | 170.2 | 0 | 113.1 | E3 L11 | E3-K7 PolarHBondContact O-N 3.37Å; K7-L11 WeakPolarHBondContact O-CD1 3.21Å; K7-L11 PolarHBondContact O-N 2.85Å |
| 8 | S | 62.8 | Low | 48.1 | Very low | 62 Ų | 62 | 122.7 Ų | 122.7 | 43% | 0.434 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -69 | -38.8 | 174.5 | -171.7 | 0 | 0 | 0 | 0 | 111.8 | L4 T5 E6 L11 T12 | L4-S8 PolarHBondContact O-N 2.93Å; L4-S8 VanDerWaalsContact O-N 3.16Å; T5-S8 PolarHBondContact O-N 2.83Å; E6-S8 VanDerWaalsContact C-N 3.34Å; E6-S8 PolarHBondContact O-N 3.21Å; S8-L11 PolarHBondContact O-N 3.43Å; S8-T12 PolarHBondContact O-N 3.07Å; S8-T12 PolarHBondContact O-OG1 3.37Å |
| 9 | N | 54.1 | Low | 46.9 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 52% | 0.519 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -72.3 | -32.3 | 179.9 | -72.4 | -10.8 | 0 | 0 | 0 | 112.8 | T5 E6 L11 T12 A13 | T5-N9 PolarHBondContact O-N 3.25Å; E6-N9 PolarHBondContact O-N 2.86Å; N9-L11 VanDerWaalsContact C-N 3.32Å; N9-T12 WeakPolarHBondContact CA-OG1 3.35Å; N9-T12 PolarHBondContact O-N 3.3Å; N9-T12 PolarHBondContact O-OG1 2.84Å; N9-A13 WeakPolarHBondContact O-CB 3.33Å; N9-A13 PolarHBondContact O-N 3.25Å; N9-A13 VanDerWaalsContact O-N 3.13Å |
| 10 | M | 49.2 | Very low | 45.8 | Very low | 147 Ų | 147 | 120.1 Ų | 120.1 | 72% | 0.724 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -64.6 | -36.5 | 169.9 | -81.3 | -160.9 | 85.8 | 0 | 0 | 112.3 | E6 | E6-M10 PolarHBondContact O-N 3.5Å |
| 11 | L | 46.9 | Very low | 44.9 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -73.1 | -26.6 | 179.6 | -82.3 | 159.4 | 0 | 0 | 0 | 113.1 | K7 S8 N9 | K7-L11 WeakPolarHBondContact O-CD1 3.21Å; K7-L11 PolarHBondContact O-N 2.85Å; S8-L11 PolarHBondContact O-N 3.43Å; N9-L11 VanDerWaalsContact C-N 3.32Å |
| 12 | T | 42.9 | Very low | 43.9 | Very low | 81 Ų | 81 | 118.6 Ų | 118.6 | 50% | 0.497 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -87.3 | -24.9 | 177.1 | 48.9 | 0 | 0 | 0 | 0 | 113.4 | S8 N9 V15 S16 | S8-T12 PolarHBondContact O-N 3.07Å; S8-T12 PolarHBondContact O-OG1 3.37Å; N9-T12 WeakPolarHBondContact CA-OG1 3.35Å; N9-T12 PolarHBondContact O-N 3.3Å; N9-T12 PolarHBondContact O-OG1 2.84Å; T12-V15 PolarHBondContact O-N 3.48Å; T12-S16 PolarHBondContact O-OG 2.92Å |
| 13 | A | 37.5 | Very low | 42.6 | Very low | 67 Ų | 67 | 119.9 Ų | 119.9 | 55% | 0.554 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.9 | -29.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N9 V15 | N9-A13 WeakPolarHBondContact O-CB 3.33Å; N9-A13 PolarHBondContact O-N 3.25Å; N9-A13 VanDerWaalsContact O-N 3.13Å; A13-V15 VanDerWaalsContact C-N 3.31Å; A13-V15 PolarHBondContact O-N 2.9Å |
| 14 | E | 34.2 | Very low | 41.2 | Very low | 176 Ų | 176 | 116.6 Ų | 116.6 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -9.8 | 178.7 | -83.6 | -173.4 | 156.9 | 0 | 0 | 114.3 | ||
| 15 | V | 34.2 | Very low | 39.1 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 79% | 0.788 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -9.2 | -179.6 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | T12 A13 | T12-V15 PolarHBondContact O-N 3.48Å; A13-V15 VanDerWaalsContact C-N 3.31Å; A13-V15 PolarHBondContact O-N 2.9Å |
| 16 | S | 28.4 | Very low | 37 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 69% | 0.692 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -112.3 | 59.8 | -179.6 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | T12 | T12-S16 PolarHBondContact O-OG 2.92Š|
| 17 | G | 27.3 | Very low | 35.3 | Very low | 59 Ų | 59 | 121.3 Ų | 121.3 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | trans | -140.9 | 46.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 18 | T | 30.3 | Very low | 33.5 | Very low | 150 Ų | 150 | 121 Ų | 121 | 92% | 0.92 | 72% | 0.72 | S | S | * | * | trans | -160.8 | 81 | 158.4 | 35.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 19 | A | 24.3 | Very low | 32.2 | Very low | 93 Ų | 93 | 123.6 Ų | 123.6 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | trans | -105.3 | 145.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 20 | S | 24.8 | Very low | 31 | Very low | 100 Ų | 100 | 124.4 Ų | 124.4 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | trans | 64.8 | 113 | 155.4 | 62.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 21 | H | 28.4 | Very low | 29.8 | Very low | 176 Ų | 176 | 124 Ų | 124 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | -174.5 | 98.1 | 126.9 | -93.1 | -63.7 | 0 | 0 | 0 | 107.1 | |||||
| 22 | T | 24.4 | Very low | 29.1 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | 57.4 | 116.3 | 89.8 | 59.3 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 23 | E | 24.7 | Very low | 28.2 | Very low | 199 Ų | 199 | 131.9 Ų | 131.9 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | 78.6 | 135.7 | 143.6 | -64.8 | 179.1 | 178.9 | 0 | 0 | 121.3 | ||||
| 24 | G | 26 | Very low | 27.9 | Very low | 82 Ų | 82 | 134.6 Ų | 134.6 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | 142.8 | 103.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 25 | W | 21.8 | Very low | 27.8 | Very low | 248 Ų | 248 | 135.5 Ų | 135.5 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | trans | -66.7 | 160.3 | 180 | -96.3 | 15.6 | 0 | 0 | 0 | 117.4 | ||||
| 26 | S | 26.5 | Very low | 27.7 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | 81.9 | 124 | 137.5 | 66.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 27 | S | 27.7 | Very low | 27.9 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | 70.8 | 112.2 | 137 | 56.4 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 28 | T | 28 | Very low | 28.3 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | 80.1 | 144.9 | 135.1 | 52.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 29 | P | 33.9 | Very low | 28.8 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -113.2 | 143.6 | -155 | 36 | -20.8 | 0 | 0 | 0 | 113.5 | ||||
| 30 | S | 28.8 | Very low | 29.6 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -163.2 | 134.9 | 145 | 45.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 31 | T | 25.3 | Very low | 31 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -31.9 | 119.3 | 168.6 | 40.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 32 | V | 32.8 | Very low | 32.1 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -138.5 | 118 | 150.1 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 33 | R | 22.6 | Very low | 33.6 | Very low | 240 Ų | 240 | 139.5 Ų | 139.5 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 134.1 | 168.9 | -69.9 | -177.5 | -178.4 | -166.2 | 1.4 | 109.9 | ||
| 34 | P | 31.6 | Very low | 35.1 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 128.6 | 157.3 | 16.6 | 1.8 | 0 | 0 | 0 | 111.5 | ||
| 35 | K | 31.9 | Very low | 36.7 | Very low | 194 Ų | 194 | 139.7 Ų | 139.7 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -72 | 146.3 | 172.8 | -71.5 | 175.2 | 173.9 | 175.9 | 0 | 111.7 | ||
| 36 | H | 31.7 | Very low | 38.3 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | trans | 50.8 | 97.4 | 148.1 | -82.2 | -103 | 0 | 0 | 0 | 120 | L38 | H36-L38 VanDerWaalsContact CE1-CD1 3.46Å; H36-L38 WeakPolarHBondContact CE1-CD1 3.39Å; H36-L38 WeakPolarHBondContact ND1-CD1 3.23Å | ||
| 37 | R | 33.2 | Very low | 40 | Very low | 245 Ų | 245 | 137.7 Ų | 137.7 | 93% | 0.925 | 72% | 0.723 | S | S | * | * | trans | -112.7 | 75.5 | 142.1 | -84.1 | -170.8 | -169.8 | -143.1 | 2.7 | 109.8 | ||||
| 38 | L | 34.7 | Very low | 41.4 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 71% | 0.707 | 73% | 0.726 | S | S | * | * | trans | -103.5 | 90.7 | 169.1 | -89.6 | 159.6 | 0 | 0 | 0 | 108.2 | H36 | H36-L38 VanDerWaalsContact CE1-CD1 3.46Å; H36-L38 WeakPolarHBondContact CE1-CD1 3.39Å; H36-L38 WeakPolarHBondContact ND1-CD1 3.23Å | ||
| 39 | S | 41.5 | Very low | 42.7 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -164.1 | -24.9 | 163.5 | -175.9 | 0 | 0 | 0 | 0 | 114.9 | S41 | S39-S41 PolarHBondContact O-N 2.69Š|
| 40 | Q | 40.9 | Very low | 43.6 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 73% | 0.729 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -4.3 | -174.3 | -75.7 | 179.4 | -15.5 | 0 | 0 | 116.2 | ||
| 41 | S | 53.5 | Low | 44.8 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 48% | 0.483 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -85.4 | -15.6 | -173.2 | 86.6 | 0 | 0 | 0 | 0 | 115.5 | S39 R45 | S39-S41 PolarHBondContact O-N 2.69Å; S41-R45 PolarHBondContact O-NE 2.99Å; S41-R45 PolarHBondContact OG-NH2 2.94Å; S41-R45 VanDerWaalsContact OG-NH2 3.13Å |
| 42 | S | 52.8 | Low | 46 | Very low | 78 Ų | 78 | 146 Ų | 146 | 55% | 0.545 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -85.3 | -41.6 | -178.1 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | R45 R46 | S42-R45 PolarHBondContact O-N 3.47Å; S42-R46 PolarHBondContact O-N 3.49Å |
| 43 | A | 56.2 | Low | 46.5 | Very low | 59 Ų | 59 | 145.7 Ų | 145.7 | 49% | 0.488 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -62.9 | -44.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R45 R46 I47 | A43-R45 VanDerWaalsContact C-N 3.27Å; A43-R45 PolarHBondContact O-N 2.71Å; A43-R46 PolarHBondContact O-N 3.16Å; A43-I47 PolarHBondContact O-N 3.04Å |
| 44 | N | 56.7 | Low | 47.3 | Very low | 115 Ų | 115 | 141.4 Ų | 141.4 | 62% | 0.615 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -65 | -28.6 | 177 | -81.8 | -7.8 | 0 | 0 | 0 | 113 | R48 | N44-R48 VanDerWaalsContact O-CB 3.26Å; N44-R48 WeakPolarHBondContact O-CB 3.08Å; N44-R48 PolarHBondContact O-N 2.93Å; N44-R48 VanDerWaalsContact O-N 3.13Å |
| 45 | R | 57.7 | Low | 48 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 65% | 0.645 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.2 | -40.4 | 175.6 | -103.5 | -177.6 | -76.8 | -158.9 | -1.4 | 112.7 | S41 S42 A43 W49 | S41-R45 PolarHBondContact O-NE 2.99Å; S41-R45 PolarHBondContact OG-NH2 2.94Å; S41-R45 VanDerWaalsContact OG-NH2 3.13Å; S42-R45 PolarHBondContact O-N 3.47Å; A43-R45 VanDerWaalsContact C-N 3.27Å; A43-R45 PolarHBondContact O-N 2.71Å; R45-W49 WeakPolarHBondContact O-CB 3.13Å; R45-W49 PolarHBondContact O-N 3.05Å |
| 46 | R | 55.4 | Low | 48.4 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 76% | 0.762 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.9 | -40.7 | 178.6 | -84.4 | -177 | 175.4 | -179.8 | -1 | 112.6 | S42 A43 W49 L50 | S42-R46 PolarHBondContact O-N 3.49Å; A43-R46 PolarHBondContact O-N 3.16Å; R46-W49 PolarHBondContact O-N 3.02Å; R46-L50 PolarHBondContact O-N 3.29Å |
| 47 | I | 63.4 | Low | 48.8 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 53% | 0.528 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -66.9 | -40 | 178 | -63.2 | 171.9 | 0 | 0 | 0 | 110.7 | A43 L50 R51 | A43-I47 PolarHBondContact O-N 3.04Å; I47-L50 PolarHBondContact O-N 3.06Å; I47-R51 PolarHBondContact O-N 3Å |
| 48 | R | 56.7 | Low | 49 | Very low | 199 Ų | 199 | 137.2 Ų | 137.2 | 75% | 0.751 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.8 | -37.3 | 177.7 | -153.8 | 171.2 | 179.1 | 178 | -0.6 | 112 | N44 Q52 | N44-R48 VanDerWaalsContact O-CB 3.26Å; N44-R48 WeakPolarHBondContact O-CB 3.08Å; N44-R48 PolarHBondContact O-N 2.93Å; N44-R48 VanDerWaalsContact O-N 3.13Å; R48-Q52 WeakPolarHBondContact O-CB 2.98Å; R48-Q52 PolarHBondContact O-N 3.22Å |
| 49 | W | 55.8 | Low | 49.3 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 58% | 0.58 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.1 | -40.4 | 174.5 | -169.8 | 81.7 | 0 | 0 | 0 | 112.9 | R45 R46 Q52 K53 | R45-W49 WeakPolarHBondContact O-CB 3.13Å; R45-W49 PolarHBondContact O-N 3.05Å; R46-W49 PolarHBondContact O-N 3.02Å; W49-Q52 PolarHBondContact O-N 2.98Å; W49-K53 HydrophobicContact CH2-CD 4.01Å; W49-K53 VanDerWaalsContact CH2-NZ 3.34Å; W49-K53 HydrophobicContact CZ2-CD 4.07Å; W49-K53 HydrophobicContact CZ3-CD 4.29Å; W49-K53 PolarHBondContact O-N 3.31Å |
| 50 | L | 53.3 | Low | 49.3 | Very low | 88 Ų | 88 | 133.9 Ų | 133.9 | 46% | 0.461 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -68.2 | -40.7 | 175.6 | -78 | 163.8 | 0 | 0 | 0 | 112.4 | R46 I47 Q52 K53 M54 | R46-L50 PolarHBondContact O-N 3.29Å; I47-L50 PolarHBondContact O-N 3.06Å; L50-Q52 VanDerWaalsContact C-N 3.29Å; L50-Q52 PolarHBondContact O-N 3.25Å; L50-K53 PolarHBondContact O-N 3.48Å; L50-M54 PolarHBondContact O-N 3.27Å |
| 51 | R | 54.1 | Low | 49.4 | Very low | 196 Ų | 196 | 135.1 Ų | 135.1 | 74% | 0.74 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -60.7 | -38.6 | 172.6 | -105.9 | -176.2 | 178.7 | -171.5 | 0 | 112 | I47 K53 M54 V55 | I47-R51 PolarHBondContact O-N 3Å; R51-K53 VanDerWaalsContact C-N 3.31Å; R51-K53 PolarHBondContact O-N 2.89Å; R51-M54 PolarHBondContact O-N 3.28Å; R51-V55 WeakPolarHBondContact O-CG2 3.42Å; R51-V55 PolarHBondContact O-N 2.95Å |
| 52 | Q | 49.8 | Very low | 49.5 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 70% | 0.696 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -71.3 | -24.4 | 179.8 | -156.4 | 166.4 | 2.6 | 0 | 0 | 113.1 | R48 W49 L50 | R48-Q52 WeakPolarHBondContact O-CB 2.98Å; R48-Q52 PolarHBondContact O-N 3.22Å; W49-Q52 PolarHBondContact O-N 2.98Å; L50-Q52 VanDerWaalsContact C-N 3.29Å; L50-Q52 PolarHBondContact O-N 3.25Å |
| 53 | K | 43.1 | Very low | 50.5 | Low | 128 Ų | 128 | 138 Ų | 138 | 56% | 0.557 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -87.6 | -29.1 | 172.1 | -89 | -173.2 | 171.4 | -178.1 | 0 | 114.4 | W49 L50 R51 T56 | W49-K53 HydrophobicContact CH2-CD 4.01Å; W49-K53 VanDerWaalsContact CH2-NZ 3.34Å; W49-K53 HydrophobicContact CZ2-CD 4.07Å; W49-K53 HydrophobicContact CZ3-CD 4.29Å; W49-K53 PolarHBondContact O-N 3.31Å; L50-K53 PolarHBondContact O-N 3.48Å; R51-K53 VanDerWaalsContact C-N 3.31Å; R51-K53 PolarHBondContact O-N 2.89Å; K53-T56 PolarHBondContact O-OG1 3.12Å |
| 54 | M | 39.5 | Very low | 51.5 | Low | 149 Ų | 149 | 142.6 Ų | 142.6 | 73% | 0.734 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -78.8 | -20.9 | 178.8 | -75.9 | -172.7 | -165.8 | 0 | 0 | 114.1 | L50 R51 T56 | L50-M54 PolarHBondContact O-N 3.27Å; R51-M54 PolarHBondContact O-N 3.28Å; M54-T56 VanDerWaalsContact C-N 3.3Å |
| 55 | V | 47.1 | Very low | 52.1 | Low | 123 Ų | 123 | 140.6 Ų | 140.6 | 75% | 0.745 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -81.6 | -7.3 | 176.4 | 177.8 | 0 | 0 | 0 | 0 | 112.8 | R51 K57 | R51-V55 WeakPolarHBondContact O-CG2 3.42Å; R51-V55 PolarHBondContact O-N 2.95Å; V55-K57 PolarHBondContact O-N 3.25Å |
| 56 | T | 40.3 | Very low | 53.1 | Low | 85 Ų | 85 | 136.5 Ų | 136.5 | 52% | 0.521 | 64% | 0.637 | S | S | . | * | trans | -83.6 | 55 | 168.2 | 33.2 | 0 | 0 | 0 | 0 | 112.8 | K53 M54 R58 | K53-T56 PolarHBondContact O-OG1 3.12Å; M54-T56 VanDerWaalsContact C-N 3.3Å; T56-R58 PolarHBondContact O-N 3.46Å | ||
| 57 | K | 38.8 | Very low | 54.5 | Low | 198 Ų | 198 | 129.5 Ų | 129.5 | 86% | 0.861 | 61% | 0.614 | S | S | * | * | trans | -78.8 | 83.5 | 147.3 | -87.9 | -170.8 | 177.1 | -178.8 | 0 | 106.9 | V55 G59 | V55-K57 PolarHBondContact O-N 3.25Å; K57-G59 PolarHBondContact O-N 2.87Å | ||
| 58 | R | 38.7 | Very low | 55.5 | Low | 225 Ų | 225 | 125.4 Ų | 125.4 | 85% | 0.849 | 59% | 0.593 | S | S | * | * | trans | -64.8 | 85.8 | 165.7 | -70.1 | -177.4 | -166.6 | 174.1 | 3.9 | 107.5 | T56 C60 | T56-R58 PolarHBondContact O-N 3.46Å; R58-C60 PolarHBondContact O-N 2.88Å | ||
| 59 | G | 39.2 | Very low | 56.7 | Low | 58 Ų | 58 | 116.5 Ų | 116.5 | 60% | 0.598 | 56% | 0.56 | S | S | * | * | trans | -54 | 137.1 | 150.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | K57 H61 | K57-G59 PolarHBondContact O-N 2.87Å; G59-H61 PolarHBondContact O-N 3.35Å | ||
| 60 | C | 43.1 | Very low | 58.2 | Low | 107 Ų | 107 | 112.9 Ų | 112.9 | 72% | 0.723 | 55% | 0.552 | S | S | * | * | trans | -68.5 | 69.8 | 175.9 | -154.2 | 0 | 0 | 0 | 0 | 108.4 | R58 F62 | R58-C60 PolarHBondContact O-N 2.88Å; C60-F62 VanDerWaalsContact C-N 3.26Å; C60-F62 HydrophobicContact CB-CE2 4.46Å; C60-F62 PolarHBondContact O-N 3.43Å; C60-F62 WeakPolarHBondContact SG-CE2 3.33Å | ||
| 61 | H | 41.3 | Very low | 60 | Low | 183 Ų | 183 | 112.6 Ų | 112.6 | 85% | 0.847 | 55% | 0.547 | S | S | * | . | trans | -73.9 | 90.9 | 168.2 | -114.1 | -45.7 | 0 | 0 | 0 | 105.3 | G59 D63 | G59-H61 PolarHBondContact O-N 3.35Å; H61-D63 PolarHBondContact O-N 3.17Å | ||
| 62 | F | 56.8 | Low | 61.6 | Low | 105 Ų | 105 | 103.3 Ų | 103.3 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | trans | -58.6 | 123.4 | 162.1 | -74.6 | -82.3 | 0 | 0 | 0 | 107.1 | C60 Q66 L67 | C60-F62 VanDerWaalsContact C-N 3.26Å; C60-F62 HydrophobicContact CB-CE2 4.46Å; C60-F62 PolarHBondContact O-N 3.43Å; C60-F62 WeakPolarHBondContact SG-CE2 3.33Å; F62-Q66 HydrophobicContact CB-CB 4.46Å; F62-Q66 HydrophobicContact CD1-CB 3.95Å; F62-L67 HydrophobicContact CB-CB 4.46Å | ||
| 63 | D | 73 | Confident | 63.3 | Low | 102 Ų | 102 | 98.6 Ų | 98.6 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | trans | -59.7 | 150.2 | 167.2 | -159.8 | -16.9 | 0 | 0 | 0 | 108.3 | H61 E65 Q66 L67 | H61-D63 PolarHBondContact O-N 3.17Å; D63-E65 PolarHBondContact O-N 3.49Å; D63-Q66 HydrophobicContact CB-CG 4.48Å; D63-Q66 PolarHBondContact O-N 3.21Å; D63-L67 PolarHBondContact O-N 3.28Å | ||
| 64 | K | 77.6 | Confident | 65.6 | Low | 155 Ų | 155 | 96.2 Ų | 96.2 | 67% | 0.674 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -51.9 | -33.2 | -178.4 | -70.4 | -177.6 | 179.4 | -179.5 | 0 | 111.7 | L68 W306 | K64-L68 WeakPolarHBondContact O-CB 3.48Å; K64-L68 PolarHBondContact O-N 3.16Å; K64-W306 HydrophobicContact CB-CZ2 4.35Å |
| 65 | E | 69.7 | Low | 68 | Low | 74 Ų | 74 | 89.2 Ų | 89.2 | 35% | 0.346 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.6 | -39.5 | 177.9 | -62.2 | -176.2 | 170 | 0 | 0 | 113.3 | D63 L69 N398 | D63-E65 PolarHBondContact O-N 3.49Å; E65-L69 WeakPolarHBondContact O-CB 3.4Å; E65-L69 PolarHBondContact O-N 2.83Å; E65-N398 PolarHBondContact OE2-OD1 3.31Å |
| 66 | Q | 77.5 | Confident | 70 | Confident | 84 Ų | 84 | 84 Ų | 84 | 39% | 0.393 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 176.5 | -65.8 | 179 | -18.1 | 0 | 0 | 111.3 | F62 D63 L69 L70 | F62-Q66 HydrophobicContact CB-CB 4.46Å; F62-Q66 HydrophobicContact CD1-CB 3.95Å; D63-Q66 HydrophobicContact CB-CG 4.48Å; D63-Q66 PolarHBondContact O-N 3.21Å; Q66-L69 PolarHBondContact O-N 3.47Å; Q66-L70 WeakPolarHBondContact O-CB 3.39Å; Q66-L70 PolarHBondContact O-N 2.82Å |
| 67 | L | 85 | Confident | 72.3 | Confident | 55 Ų | 55 | 84.6 Ų | 84.6 | 29% | 0.288 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 175.7 | -177.3 | 62.5 | 0 | 0 | 0 | 111.3 | F62 D63 L69 L70 F71 W306 | F62-L67 HydrophobicContact CB-CB 4.46Å; D63-L67 PolarHBondContact O-N 3.28Å; L67-L69 VanDerWaalsContact C-N 3.33Å; L67-L69 PolarHBondContact O-N 3.2Å; L67-L70 WeakPolarHBondContact O-CB 3.34Å; L67-L70 PolarHBondContact O-N 3.22Å; L67-F71 HydrophobicContact CD1-CD1 4.49Å; L67-F71 HydrophobicContact CD1-CD2 4.36Å; L67-F71 HydrophobicContact CD1-CE1 3.83Å; L67-F71 HydrophobicContact CD1-CE2 3.69Å; L67-F71 HydrophobicContact CD1-CZ 3.39Å; L67-F71 HydrophobicContact CD2-CE2 3.93Å; L67-F71 HydrophobicContact CD2-CZ 4.23Å; L67-F71 HydrophobicContact CG-CD2 4.05Å; L67-F71 HydrophobicContact CG-CE2 3.5Å; L67-F71 VanDerWaalsContact CG-CE2 3.5Å; L67-F71 HydrophobicContact CG-CZ 3.78Å; L67-F71 WeakPolarHBondContact O-CD2 3.23Å; L67-F71 WeakPolarHBondContact O-CG 3.4Å; L67-F71 PolarHBondContact O-N 3.23Å; L67-W306 HydrophobicContact CD2-CH2 4.19Å |
| 68 | L | 84.6 | Confident | 74.9 | Confident | 18 Ų | 18 | 79.7 Ų | 79.7 | 9% | 0.094 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 174.4 | 171.5 | 72.4 | 0 | 0 | 0 | 111.4 | K64 L70 F71 T72 I305 | K64-L68 WeakPolarHBondContact O-CB 3.48Å; K64-L68 PolarHBondContact O-N 3.16Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 3.44Å; L68-F71 PolarHBondContact O-N 2.79Å; L68-T72 WeakPolarHBondContact O-CB 3.41Å; L68-T72 PolarHBondContact O-N 3.18Å; L68-T72 PolarHBondContact O-OG1 3.48Å; L68-I305 HydrophobicContact CD1-CG2 3.64Å; L68-I305 WeakPolarHBondContact CD1-O 3.37Å; L68-I305 HydrophobicContact CD2-CG2 3.13Å; L68-I305 HydrophobicContact CG-CG2 3.92Å |
| 69 | L | 83.3 | Confident | 77.5 | Confident | 11 Ų | 11 | 69 Ų | 69 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 177.9 | 174.3 | 60.1 | 0 | 0 | 0 | 111.2 | E65 Q66 L67 F71 T72 V73 Y369 L372 P373 | E65-L69 WeakPolarHBondContact O-CB 3.4Å; E65-L69 PolarHBondContact O-N 2.83Å; Q66-L69 PolarHBondContact O-N 3.47Å; L67-L69 VanDerWaalsContact C-N 3.33Å; L67-L69 PolarHBondContact O-N 3.2Å; L69-F71 VanDerWaalsContact C-N 3.33Å; L69-F71 PolarHBondContact O-N 3.01Å; L69-T72 WeakPolarHBondContact O-CB 3.49Å; L69-T72 PolarHBondContact O-N 3.5Å; L69-T72 VanDerWaalsContact O-N 3.14Å; L69-V73 HydrophobicContact CD1-CG2 3.98Å; L69-V73 HydrophobicContact CG-CG2 4.44Å; L69-V73 WeakPolarHBondContact O-CG2 3.36Å; L69-V73 PolarHBondContact O-N 3.04Å; L69-Y369 HydrophobicContact CD2-CD1 4.37Å; L69-Y369 HydrophobicContact CD2-CD2 4.1Å; L69-Y369 HydrophobicContact CD2-CE1 3.82Å; L69-Y369 HydrophobicContact CD2-CE2 3.5Å; L69-L372 HydrophobicContact CD1-CB 3.76Å; L69-L372 HydrophobicContact CD1-CD2 3.73Å; L69-L372 HydrophobicContact CD1-CG 3.71Å; L69-L372 HydrophobicContact CD2-CD2 4.31Å; L69-L372 HydrophobicContact CG-CD2 4.48Å; L69-P373 HydrophobicContact CD1-CG 3.87Å |
| 70 | L | 87.4 | Confident | 79.8 | Confident | 77 Ų | 77 | 70 Ų | 70 | 40% | 0.403 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.3 | -48 | 176 | 177.6 | 63.8 | 0 | 0 | 0 | 111.1 | Q66 L67 L68 T72 V73 L74 | Q66-L70 WeakPolarHBondContact O-CB 3.39Å; Q66-L70 PolarHBondContact O-N 2.82Å; L67-L70 WeakPolarHBondContact O-CB 3.34Å; L67-L70 PolarHBondContact O-N 3.22Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 3.44Å; L70-T72 VanDerWaalsContact C-N 3.31Å; L70-T72 PolarHBondContact O-N 3.27Å; L70-V73 PolarHBondContact O-N 3.37Å; L70-L74 HydrophobicContact CD1-CD1 4.07Å; L70-L74 HydrophobicContact CD1-CG 4.22Å; L70-L74 HydrophobicContact CG-CD1 3.94Å; L70-L74 HydrophobicContact CG-CG 4.48Å; L70-L74 WeakPolarHBondContact O-CB 3.24Å; L70-L74 VanDerWaalsContact O-CG 3.24Å; L70-L74 WeakPolarHBondContact O-CG 3.21Å; L70-L74 PolarHBondContact O-N 2.89Å |
| 71 | F | 90.6 | Very high | 82.2 | Confident | 82 Ų | 82 | 68.1 Ų | 68.1 | 36% | 0.36 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.1 | -34.5 | 176.9 | -66.1 | -26.2 | 0 | 0 | 0 | 113.2 | L67 L68 L69 G75 W306 P309 | L67-F71 HydrophobicContact CD1-CD1 4.49Å; L67-F71 HydrophobicContact CD1-CD2 4.36Å; L67-F71 HydrophobicContact CD1-CE1 3.83Å; L67-F71 HydrophobicContact CD1-CE2 3.69Å; L67-F71 HydrophobicContact CD1-CZ 3.39Å; L67-F71 HydrophobicContact CD2-CE2 3.93Å; L67-F71 HydrophobicContact CD2-CZ 4.23Å; L67-F71 HydrophobicContact CG-CD2 4.05Å; L67-F71 HydrophobicContact CG-CE2 3.5Å; L67-F71 VanDerWaalsContact CG-CE2 3.5Å; L67-F71 HydrophobicContact CG-CZ 3.78Å; L67-F71 WeakPolarHBondContact O-CD2 3.23Å; L67-F71 WeakPolarHBondContact O-CG 3.4Å; L67-F71 PolarHBondContact O-N 3.23Å; L68-F71 PolarHBondContact O-N 2.79Å; L69-F71 VanDerWaalsContact C-N 3.33Å; L69-F71 PolarHBondContact O-N 3.01Å; F71-G75 WeakPolarHBondContact O-CA 3.41Å; F71-G75 PolarHBondContact O-N 3.15Å; F71-W306 HydrophobicContact CD2-CZ3 4.29Å; F71-W306 HydrophobicContact CE2-CZ3 4.21Å; F71-P309 HydrophobicContact CB-CB 4.11Å; F71-P309 HydrophobicContact CB-CG 3.64Å |
| 72 | T | 86.5 | Confident | 84.6 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 177.3 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | L68 L69 L70 G75 C76 I312 L376 | L68-T72 WeakPolarHBondContact O-CB 3.41Å; L68-T72 PolarHBondContact O-N 3.18Å; L68-T72 PolarHBondContact O-OG1 3.48Å; L69-T72 WeakPolarHBondContact O-CB 3.49Å; L69-T72 PolarHBondContact O-N 3.5Å; L69-T72 VanDerWaalsContact O-N 3.14Å; L70-T72 VanDerWaalsContact C-N 3.31Å; L70-T72 PolarHBondContact O-N 3.27Å; T72-G75 PolarHBondContact O-N 2.84Å; T72-C76 PolarHBondContact O-N 2.99Å; T72-I312 HydrophobicContact CG2-CD1 3.34Å; T72-L376 HydrophobicContact CG2-CB 4.13Å; T72-L376 HydrophobicContact CG2-CD1 3.68Å |
| 73 | V | 87 | Confident | 86.2 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 30% | 0.297 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 176.2 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | L69 L70 G75 C76 I77 L372 L376 | L69-V73 HydrophobicContact CD1-CG2 3.98Å; L69-V73 HydrophobicContact CG-CG2 4.44Å; L69-V73 WeakPolarHBondContact O-CG2 3.36Å; L69-V73 PolarHBondContact O-N 3.04Å; L70-V73 PolarHBondContact O-N 3.37Å; V73-G75 VanDerWaalsContact C-N 3.29Å; V73-G75 PolarHBondContact O-N 3.38Å; V73-C76 WeakPolarHBondContact O-CB 3.42Å; V73-C76 PolarHBondContact O-N 3.35Å; V73-I77 HydrophobicContact CG1-CD1 4.06Å; V73-I77 WeakPolarHBondContact O-CG1 3.46Å; V73-I77 PolarHBondContact O-N 3.42Å; V73-L372 HydrophobicContact CG2-CD2 4.29Å; V73-L376 HydrophobicContact CG2-CD1 3.79Å |
| 74 | L | 90.9 | Very high | 86.9 | Confident | 79 Ų | 79 | 56.4 Ų | 56.4 | 41% | 0.414 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 174.9 | -71.8 | 173.3 | 0 | 0 | 0 | 111.2 | L70 C76 I77 L78 | L70-L74 HydrophobicContact CD1-CD1 4.07Å; L70-L74 HydrophobicContact CD1-CG 4.22Å; L70-L74 HydrophobicContact CG-CD1 3.94Å; L70-L74 HydrophobicContact CG-CG 4.48Å; L70-L74 WeakPolarHBondContact O-CB 3.24Å; L70-L74 VanDerWaalsContact O-CG 3.24Å; L70-L74 WeakPolarHBondContact O-CG 3.21Å; L70-L74 PolarHBondContact O-N 2.89Å; L74-C76 VanDerWaalsContact C-N 3.33Å; L74-C76 PolarHBondContact O-N 2.9Å; L74-I77 PolarHBondContact O-N 3Å; L74-L78 WeakPolarHBondContact O-CB 3.08Å; L74-L78 VanDerWaalsContact O-CG 3.26Å; L74-L78 WeakPolarHBondContact O-CG 3.2Å; L74-L78 PolarHBondContact O-N 3.34Å |
| 75 | G | 90.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F71 T72 V73 L78 G79 I313 | F71-G75 WeakPolarHBondContact O-CA 3.41Å; F71-G75 PolarHBondContact O-N 3.15Å; T72-G75 PolarHBondContact O-N 2.84Å; V73-G75 VanDerWaalsContact C-N 3.29Å; V73-G75 PolarHBondContact O-N 3.38Å; G75-L78 PolarHBondContact O-N 2.94Å; G75-G79 PolarHBondContact O-N 3.5Å; G75-I313 VanDerWaalsContact CA-CG1 3.41Å; G75-I313 WeakPolarHBondContact O-CA 3.37Å; G75-I313 WeakPolarHBondContact O-CG1 3.11Å |
| 76 | C | 87.7 | Confident | 88.5 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 9% | 0.088 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 174 | -171.1 | 0 | 0 | 0 | 0 | 111.9 | T72 V73 L74 L78 G79 L80 I312 L376 | T72-C76 PolarHBondContact O-N 2.99Å; V73-C76 WeakPolarHBondContact O-CB 3.42Å; V73-C76 PolarHBondContact O-N 3.35Å; L74-C76 VanDerWaalsContact C-N 3.33Å; L74-C76 PolarHBondContact O-N 2.9Å; C76-L78 PolarHBondContact O-N 3.11Å; C76-G79 PolarHBondContact O-N 2.92Å; C76-L80 WeakPolarHBondContact O-CG 3.47Å; C76-L80 PolarHBondContact O-N 2.88Å; C76-I312 HydrophobicContact CB-CG2 3.97Å; C76-L376 HydrophobicContact CB-CD2 4.28Å |
| 77 | I | 89.8 | Confident | 88.8 | Confident | 98 Ų | 98 | 49.7 Ų | 49.7 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.3 | -64.4 | 167 | 0 | 0 | 0 | 111.2 | V73 L74 L80 S81 | V73-I77 HydrophobicContact CG1-CD1 4.06Å; V73-I77 WeakPolarHBondContact O-CG1 3.46Å; V73-I77 PolarHBondContact O-N 3.42Å; L74-I77 PolarHBondContact O-N 3Å; I77-L80 PolarHBondContact O-N 3.29Å; I77-S81 WeakPolarHBondContact O-CB 3.26Å; I77-S81 PolarHBondContact O-N 3.34Å; I77-S81 PolarHBondContact O-OG 3.11Å |
| 78 | L | 94 | Very high | 88.7 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 175.3 | -73 | 174.1 | 0 | 0 | 0 | 111.6 | L74 G75 C76 S81 L82 I313 | L74-L78 WeakPolarHBondContact O-CB 3.08Å; L74-L78 VanDerWaalsContact O-CG 3.26Å; L74-L78 WeakPolarHBondContact O-CG 3.2Å; L74-L78 PolarHBondContact O-N 3.34Å; G75-L78 PolarHBondContact O-N 2.94Å; C76-L78 PolarHBondContact O-N 3.11Å; L78-S81 WeakPolarHBondContact CA-OG 3.34Å; L78-S81 PolarHBondContact O-N 3.19Å; L78-S81 PolarHBondContact O-OG 3.33Å; L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 PolarHBondContact O-N 3.45Å; L78-I313 HydrophobicContact CB-CD1 4.41Å; L78-I313 HydrophobicContact CB-CG1 4.09Å; L78-I313 HydrophobicContact CD1-CD1 4.35Å |
| 79 | G | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | G75 C76 G83 I313 A317 | G75-G79 PolarHBondContact O-N 3.5Å; C76-G79 PolarHBondContact O-N 2.92Å; G79-G83 PolarHBondContact O-N 3.09Å; G79-I313 WeakPolarHBondContact CA-O 3.41Å; G79-A317 VanDerWaalsContact O-CA 3.24Å; G79-A317 WeakPolarHBondContact O-CA 3.33Å; G79-A317 WeakPolarHBondContact O-CB 3.48Å; G79-A317 PolarHBondContact O-N 3.43Å |
| 80 | L | 89.1 | Confident | 88 | Confident | 78 Ų | 78 | 68 Ų | 68 | 41% | 0.408 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 175.7 | -72.8 | 171.2 | 0 | 0 | 0 | 111.4 | C76 I77 G83 V84 T316 I320 | C76-L80 WeakPolarHBondContact O-CG 3.47Å; C76-L80 PolarHBondContact O-N 2.88Å; I77-L80 PolarHBondContact O-N 3.29Å; L80-G83 PolarHBondContact O-N 3.28Å; L80-V84 WeakPolarHBondContact O-CG2 3.31Å; L80-V84 PolarHBondContact O-N 2.79Å; L80-T316 HydrophobicContact CB-CG2 4.42Å; L80-T316 HydrophobicContact CD2-CG2 3.56Å; L80-T316 HydrophobicContact CG-CG2 3.65Å; L80-I320 HydrophobicContact CD2-CD1 3.97Å; L80-I320 HydrophobicContact CD2-CG1 4.15Å |
| 81 | S | 92.1 | Very high | 87.6 | Confident | 68 Ų | 68 | 70.4 Ų | 70.4 | 48% | 0.476 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 180 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | I77 L78 G85 | I77-S81 WeakPolarHBondContact O-CB 3.26Å; I77-S81 PolarHBondContact O-N 3.34Å; I77-S81 PolarHBondContact O-OG 3.11Å; L78-S81 WeakPolarHBondContact CA-OG 3.34Å; L78-S81 PolarHBondContact O-N 3.19Å; L78-S81 PolarHBondContact O-OG 3.33Å; S81-G85 PolarHBondContact O-N 2.89Å |
| 82 | L | 93 | Very high | 87.2 | Confident | 65 Ų | 65 | 72 Ų | 72 | 34% | 0.34 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 173.3 | 179.2 | 62.2 | 0 | 0 | 0 | 111 | L78 V84 G85 L86 I313 A317 | L78-L82 WeakPolarHBondContact O-CB 3.4Å; L78-L82 PolarHBondContact O-N 3.45Å; L82-V84 PolarHBondContact O-N 3.26Å; L82-G85 PolarHBondContact O-N 3.45Å; L82-L86 HydrophobicContact CD1-CD1 3.95Å; L82-L86 HydrophobicContact CD1-CD2 4.41Å; L82-L86 HydrophobicContact CD1-CG 3.97Å; L82-L86 HydrophobicContact CG-CD1 3.87Å; L82-L86 HydrophobicContact CG-CG 4.28Å; L82-L86 WeakPolarHBondContact O-CB 2.93Å; L82-L86 VanDerWaalsContact O-CG 3.23Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 3.2Å; L82-I313 HydrophobicContact CD2-CG2 4.17Å; L82-A317 HydrophobicContact CB-CB 4.11Å; L82-A317 HydrophobicContact CD2-CB 3.81Å; L82-A317 HydrophobicContact CG-CB 3.93Å |
| 83 | G | 89.8 | Confident | 87 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G79 L80 G85 L86 R87 I320 | G79-G83 PolarHBondContact O-N 3.09Å; L80-G83 PolarHBondContact O-N 3.28Å; G83-G85 VanDerWaalsContact C-N 3.33Å; G83-G85 PolarHBondContact O-N 3.22Å; G83-L86 PolarHBondContact O-N 2.98Å; G83-R87 PolarHBondContact O-N 2.92Å; G83-I320 VanDerWaalsContact C-CG2 3.4Å |
| 84 | V | 88.3 | Confident | 87.1 | Confident | 79 Ų | 79 | 74.8 Ų | 74.8 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L80 L82 I320 | L80-V84 WeakPolarHBondContact O-CG2 3.31Å; L80-V84 PolarHBondContact O-N 2.79Å; L82-V84 PolarHBondContact O-N 3.26Å; V84-I320 HydrophobicContact CG2-CG2 4.02Å |
| 85 | G | 89.9 | Confident | 87 | Confident | 44 Ų | 44 | 76.3 Ų | 76.3 | 45% | 0.454 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S81 L82 G83 R87 K88 | S81-G85 PolarHBondContact O-N 2.89Å; L82-G85 PolarHBondContact O-N 3.45Å; G83-G85 VanDerWaalsContact C-N 3.33Å; G83-G85 PolarHBondContact O-N 3.22Å; G85-R87 VanDerWaalsContact C-N 3.28Å; G85-R87 PolarHBondContact O-N 2.9Å; G85-K88 PolarHBondContact O-N 2.98Å |
| 86 | L | 90.4 | Very high | 87 | Confident | 49 Ų | 49 | 84.4 Ų | 84.4 | 26% | 0.257 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.2 | -34 | 178.8 | -72 | 176.6 | 0 | 0 | 0 | 112 | L82 G83 K88 R89 F93 L101 V321 | L82-L86 HydrophobicContact CD1-CD1 3.95Å; L82-L86 HydrophobicContact CD1-CD2 4.41Å; L82-L86 HydrophobicContact CD1-CG 3.97Å; L82-L86 HydrophobicContact CG-CD1 3.87Å; L82-L86 HydrophobicContact CG-CG 4.28Å; L82-L86 WeakPolarHBondContact O-CB 2.93Å; L82-L86 VanDerWaalsContact O-CG 3.23Å; L82-L86 WeakPolarHBondContact O-CG 3.36Å; L82-L86 PolarHBondContact O-N 3.2Å; G83-L86 PolarHBondContact O-N 2.98Å; L86-K88 PolarHBondContact O-N 3.01Å; L86-R89 WeakPolarHBondContact O-CB 3.42Å; L86-R89 PolarHBondContact O-N 3.07Å; L86-F93 HydrophobicContact CB-CE2 4.13Å; L86-F93 HydrophobicContact CB-CZ 3.77Å; L86-F93 HydrophobicContact CD1-CZ 4.48Å; L86-F93 HydrophobicContact CD2-CZ 4.01Å; L86-F93 HydrophobicContact CG-CZ 4.28Å; L86-F93 WeakPolarHBondContact O-CE2 3.24Å; L86-L101 HydrophobicContact CD1-CD1 3.68Å; L86-L101 HydrophobicContact CD1-CD2 3.83Å; L86-L101 HydrophobicContact CD1-CG 4.44Å; L86-V321 HydrophobicContact CB-CG2 3.66Å; L86-V321 HydrophobicContact CD1-CG2 4.23Å |
| 87 | R | 83.1 | Confident | 87.3 | Confident | 80 Ų | 80 | 86.6 Ų | 86.6 | 30% | 0.302 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.4 | -23.1 | 177.7 | -166.8 | 174.6 | -176.2 | -161.2 | 3.7 | 114.1 | G83 G85 R89 F323 D325 | G83-R87 PolarHBondContact O-N 2.92Å; G85-R87 VanDerWaalsContact C-N 3.28Å; G85-R87 PolarHBondContact O-N 2.9Å; R87-R89 PolarHBondContact O-N 3.14Å; R87-F323 VanDerWaalsContact CZ-O 3.29Å; R87-F323 PolarHBondContact NE-O 3.5Å; R87-F323 PolarHBondContact NH2-O 3.46Å; R87-D325 IonicContact CZ-OD1 3.98Å; R87-D325 IonicContact NE-OD1 3.39Å; R87-D325 IonicContact NH1-OD1 2.81Å; R87-D325 VanDerWaalsContact NH2-CA 3.34Å; R87-D325 VanDerWaalsContact NH2-CG 3.34Å; R87-D325 IonicContact NH2-OD1 3.71Å; R87-D325 PolarHBondContact NH2-OD1 3.23Å; R87-D325 IonicContact NH2-OD2 3.15Å |
| 88 | K | 83.1 | Confident | 87.3 | Confident | 175 Ų | 175 | 83.6 Ų | 83.6 | 76% | 0.761 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -2.5 | 178.2 | -65.5 | -178.4 | 178.4 | -177.4 | 0 | 114 | G85 L86 | G85-K88 PolarHBondContact O-N 2.98Å; L86-K88 PolarHBondContact O-N 3.01Å |
| 89 | R | 80.2 | Confident | 87.2 | Confident | 113 Ų | 113 | 84.3 Ų | 84.3 | 43% | 0.426 | 43% | 0.431 | S | S | . | . | trans | -65.4 | 136 | 177.3 | -172.1 | -177.1 | 177.7 | -170.1 | -0.1 | 110.3 | L86 R87 H91 F93 E97 | L86-R89 WeakPolarHBondContact O-CB 3.42Å; L86-R89 PolarHBondContact O-N 3.07Å; R87-R89 PolarHBondContact O-N 3.14Å; R89-H91 VanDerWaalsContact C-N 3.31Å; R89-H91 WeakPolarHBondContact CD-O 3.43Å; R89-H91 PolarHBondContact O-N 3.05Å; R89-F93 HydrophobicContact CB-CE2 4.45Å; R89-E97 IonicContact CZ-OE1 3.8Å; R89-E97 VanDerWaalsContact NH1-CD 3.27Å; R89-E97 IonicContact NH1-OE1 2.73Å; R89-E97 PolarHBondContact NH1-OE1 3.33Å; R89-E97 IonicContact NH1-OE2 3Å; R89-E97 PolarHBondContact NH1-OE2 2.89Å; R89-E97 IonicContact NH2-OE1 2.99Å; R89-E97 PolarHBondContact NH2-OE1 3.13Å | ||
| 90 | E | 73.8 | Confident | 87.4 | Confident | 181 Ų | 181 | 91.4 Ų | 91.4 | 85% | 0.846 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -63 | -35.4 | 179.9 | -66.8 | -179.4 | 173.9 | 0 | 0 | 113.2 | ||
| 91 | H | 79.6 | Confident | 87.6 | Confident | 126 Ų | 126 | 88.6 Ų | 88.6 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -95.2 | 130.9 | 177.9 | -61.7 | -52.3 | 0 | 0 | 0 | 111.2 | R89 | R89-H91 VanDerWaalsContact C-N 3.31Å; R89-H91 WeakPolarHBondContact CD-O 3.43Å; R89-H91 PolarHBondContact O-N 3.05Å |
| 92 | P | 80.4 | Confident | 87.6 | Confident | 116 Ų | 116 | 88.9 Ų | 88.9 | 75% | 0.753 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 143 | 173.6 | 27.1 | -33.7 | 0 | 0 | 0 | 109.6 | T94 | P92-T94 PolarHBondContact O-N 3.4Š|
| 93 | F | 84.3 | Confident | 87.7 | Confident | 41 Ų | 41 | 90.8 Ų | 90.8 | 18% | 0.18 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 133.4 | 178.7 | -77.6 | -104 | 0 | 0 | 0 | 110.4 | L86 R89 E97 L98 V321 | L86-F93 HydrophobicContact CB-CE2 4.13Å; L86-F93 HydrophobicContact CB-CZ 3.77Å; L86-F93 HydrophobicContact CD1-CZ 4.48Å; L86-F93 HydrophobicContact CD2-CZ 4.01Å; L86-F93 HydrophobicContact CG-CZ 4.28Å; L86-F93 WeakPolarHBondContact O-CE2 3.24Å; R89-F93 HydrophobicContact CB-CE2 4.45Å; F93-E97 HydrophobicContact CD1-CB 3.8Å; F93-L98 HydrophobicContact CB-CD1 4.38Å; F93-L98 HydrophobicContact CB-CD2 3.7Å; F93-L98 HydrophobicContact CB-CG 3.68Å; F93-L98 HydrophobicContact CG-CD2 4.15Å; F93-V321 HydrophobicContact CB-CG1 4.33Å; F93-V321 HydrophobicContact CD1-CG1 4.43Å; F93-V321 HydrophobicContact CD2-CG1 3.29Å; F93-V321 HydrophobicContact CE2-CG1 3.63Å; F93-V321 HydrophobicContact CG-CG1 3.77Å; F93-V321 HydrophobicContact CZ-CG1 4.35Å |
| 94 | T | 88.5 | Confident | 88 | Confident | 68 Ų | 68 | 92 Ų | 92 | 42% | 0.417 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -66 | 152.7 | 169.6 | 62.8 | 0 | 0 | 0 | 0 | 109.9 | P92 R96 E97 L98 | P92-T94 PolarHBondContact O-N 3.4Å; T94-R96 PolarHBondContact O-N 3.42Å; T94-E97 PolarHBondContact N-OE2 3.4Å; T94-E97 PolarHBondContact O-N 3.13Å; T94-E97 WeakPolarHBondContact OG1-CG 3.49Å; T94-E97 PolarHBondContact OG1-N 2.93Å; T94-E97 PolarHBondContact OG1-OE2 2.9Å; T94-L98 PolarHBondContact O-N 3.17Å |
| 95 | P | 87.5 | Confident | 88.2 | Confident | 112 Ų | 112 | 88.2 Ų | 88.2 | 73% | 0.727 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -53.8 | -30.4 | 175 | -27.9 | 35.2 | 0 | 0 | 0 | 113.5 | M99 | P95-M99 WeakPolarHBondContact O-CB 3.42Å; P95-M99 PolarHBondContact O-N 3.45Å |
| 96 | R | 92.1 | Very high | 88.2 | Confident | 172 Ų | 172 | 88.2 Ų | 88.2 | 65% | 0.649 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -71.7 | -43.6 | 176.6 | -173.4 | 177.9 | -64.4 | 160.7 | 1.7 | 112.7 | T94 L98 M99 Y100 | T94-R96 PolarHBondContact O-N 3.42Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-M99 WeakPolarHBondContact O-CB 3.43Å; R96-M99 PolarHBondContact O-N 3.33Å; R96-Y100 HydrophobicContact CG-CD2 4.45Å; R96-Y100 HydrophobicContact CG-CE1 4.34Å; R96-Y100 HydrophobicContact CG-CE2 3.81Å; R96-Y100 PolarHBondContact O-N 2.78Å |
| 97 | E | 92.6 | Very high | 88.4 | Confident | 58 Ų | 58 | 88.6 Ų | 88.6 | 27% | 0.271 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 175.9 | -67.9 | 163.4 | 135.6 | 0 | 0 | 111.2 | R89 F93 T94 M99 Y100 L101 | R89-E97 IonicContact CZ-OE1 3.8Å; R89-E97 VanDerWaalsContact NH1-CD 3.27Å; R89-E97 IonicContact NH1-OE1 2.73Å; R89-E97 PolarHBondContact NH1-OE1 3.33Å; R89-E97 IonicContact NH1-OE2 3Å; R89-E97 PolarHBondContact NH1-OE2 2.89Å; R89-E97 IonicContact NH2-OE1 2.99Å; R89-E97 PolarHBondContact NH2-OE1 3.13Å; F93-E97 HydrophobicContact CD1-CB 3.8Å; T94-E97 PolarHBondContact N-OE2 3.4Å; T94-E97 PolarHBondContact O-N 3.13Å; T94-E97 WeakPolarHBondContact OG1-CG 3.49Å; T94-E97 PolarHBondContact OG1-N 2.93Å; T94-E97 PolarHBondContact OG1-OE2 2.9Å; E97-M99 VanDerWaalsContact C-N 3.33Å; E97-Y100 PolarHBondContact O-N 3.24Å; E97-L101 WeakPolarHBondContact O-CB 3.38Å; E97-L101 PolarHBondContact O-N 2.94Å |
| 98 | L | 90.1 | Very high | 88.8 | Confident | 35 Ų | 35 | 84.8 Ų | 84.8 | 18% | 0.183 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 172.1 | -71.6 | 175.3 | 0 | 0 | 0 | 111.5 | F93 T94 R96 Y100 L101 K102 H318 V321 I322 | F93-L98 HydrophobicContact CB-CD1 4.38Å; F93-L98 HydrophobicContact CB-CD2 3.7Å; F93-L98 HydrophobicContact CB-CG 3.68Å; F93-L98 HydrophobicContact CG-CD2 4.15Å; T94-L98 PolarHBondContact O-N 3.17Å; R96-L98 VanDerWaalsContact C-N 3.34Å; L98-Y100 VanDerWaalsContact C-N 3.32Å; L98-Y100 PolarHBondContact O-N 3.41Å; L98-L101 PolarHBondContact O-N 3.3Å; L98-K102 WeakPolarHBondContact O-CB 3.31Å; L98-K102 PolarHBondContact O-N 3.42Å; L98-H318 PolarHBondContact O-CD2 3.35Å; L98-V321 HydrophobicContact CD2-CB 4.33Å; L98-V321 HydrophobicContact CD2-CG1 3.65Å; L98-I322 HydrophobicContact CD1-CG1 4.27Å; L98-I322 HydrophobicContact CD2-CG1 4.16Å |
| 99 | M | 92.4 | Very high | 89.1 | Confident | 110 Ų | 110 | 77.8 Ų | 77.8 | 54% | 0.542 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 174.2 | -179.5 | -173.9 | 173.8 | 0 | 0 | 111.3 | P95 R96 E97 K102 F103 | P95-M99 WeakPolarHBondContact O-CB 3.42Å; P95-M99 PolarHBondContact O-N 3.45Å; R96-M99 WeakPolarHBondContact O-CB 3.43Å; R96-M99 PolarHBondContact O-N 3.33Å; E97-M99 VanDerWaalsContact C-N 3.33Å; M99-K102 PolarHBondContact O-N 2.88Å; M99-F103 WeakPolarHBondContact O-CB 3.3Å; M99-F103 PolarHBondContact O-N 3.46Å |
| 100 | Y | 95.3 | Very high | 89.6 | Confident | 149 Ų | 149 | 79.8 Ų | 79.8 | 58% | 0.584 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 177.8 | -64.2 | -22.3 | 0 | 0 | 0 | 113.2 | R96 E97 L98 K102 F103 P104 | R96-Y100 HydrophobicContact CG-CD2 4.45Å; R96-Y100 HydrophobicContact CG-CE1 4.34Å; R96-Y100 HydrophobicContact CG-CE2 3.81Å; R96-Y100 PolarHBondContact O-N 2.78Å; E97-Y100 PolarHBondContact O-N 3.24Å; L98-Y100 VanDerWaalsContact C-N 3.32Å; L98-Y100 PolarHBondContact O-N 3.41Å; Y100-K102 VanDerWaalsContact C-N 3.33Å; Y100-K102 PolarHBondContact O-N 2.87Å; Y100-F103 PolarHBondContact O-N 3.14Å; Y100-P104 WeakPolarHBondContact O-CD 3.43Å |
| 101 | L | 93.9 | Very high | 90.5 | Very high | 19 Ų | 19 | 73.3 Ų | 73.3 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.1 | -177.9 | 64.4 | 0 | 0 | 0 | 111.5 | L86 E97 L98 F314 A317 H318 V321 | L86-L101 HydrophobicContact CD1-CD1 3.68Å; L86-L101 HydrophobicContact CD1-CD2 3.83Å; L86-L101 HydrophobicContact CD1-CG 4.44Å; E97-L101 WeakPolarHBondContact O-CB 3.38Å; E97-L101 PolarHBondContact O-N 2.94Å; L98-L101 PolarHBondContact O-N 3.3Å; L101-F314 HydrophobicContact CD1-CD1 4.2Å; L101-F314 WeakPolarHBondContact O-CD1 3.47Å; L101-A317 HydrophobicContact CD1-CB 4.35Å; L101-H318 HydrophobicContact CD2-CB 4.24Å; L101-H318 HydrophobicContact CG-CB 4.13Å; L101-V321 HydrophobicContact CD2-CB 4.2Å; L101-V321 HydrophobicContact CD2-CG2 3.88Å |
| 102 | K | 91.7 | Very high | 90.9 | Very high | 75 Ų | 75 | 67.3 Ų | 67.3 | 33% | 0.326 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.8 | -31.6 | 178.6 | -160.7 | -175.4 | 179 | -179.2 | 0 | 113.1 | L98 M99 Y100 G105 E106 H318 | L98-K102 WeakPolarHBondContact O-CB 3.31Å; L98-K102 PolarHBondContact O-N 3.42Å; M99-K102 PolarHBondContact O-N 2.88Å; Y100-K102 VanDerWaalsContact C-N 3.33Å; Y100-K102 PolarHBondContact O-N 2.87Å; K102-G105 CarbonylContact O-C 3.53Å; K102-G105 WeakPolarHBondContact O-CA 3.33Å; K102-G105 PolarHBondContact O-N 3.3Å; K102-E106 PolarHBondContact O-N 3.37Å; K102-H318 HydrophobicContact CB-CB 4.38Å; K102-H318 VanDerWaalsContact CB-CD2 3.43Å; K102-H318 WeakPolarHBondContact CB-CD2 3.16Å |
| 103 | F | 95.8 | Very high | 91.3 | Very high | 104 Ų | 104 | 66.8 Ų | 66.8 | 46% | 0.456 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -54.5 | -45.6 | -162.4 | -175.9 | -109.2 | 0 | 0 | 0 | 114.9 | M99 Y100 G105 E106 I107 | M99-F103 WeakPolarHBondContact O-CB 3.3Å; M99-F103 PolarHBondContact O-N 3.46Å; Y100-F103 PolarHBondContact O-N 3.14Å; F103-G105 VanDerWaalsContact C-N 3.26Å; F103-G105 PolarHBondContact O-N 3.29Å; F103-E106 WeakPolarHBondContact O-CB 3.09Å; F103-E106 PolarHBondContact O-N 2.9Å; F103-E106 VanDerWaalsContact O-N 3.12Å; F103-I107 HydrophobicContact CD1-CD1 3.83Å; F103-I107 HydrophobicContact CE1-CD1 3.44Å; F103-I107 VanDerWaalsContact CE1-CD1 3.44Å; F103-I107 HydrophobicContact CE1-CG1 4.24Å; F103-I107 HydrophobicContact CE2-CG1 4.47Å; F103-I107 HydrophobicContact CZ-CD1 3.83Å; F103-I107 HydrophobicContact CZ-CG1 4.19Å; F103-I107 WeakPolarHBondContact O-CG1 3.49Å; F103-I107 PolarHBondContact O-N 3.44Å |
| 104 | P | 95.5 | Very high | 91.6 | Very high | 25 Ų | 25 | 71.1 Ų | 71.1 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.2 | -35.5 | 176.3 | -22.3 | 34.3 | 0 | 0 | 0 | 112.7 | Y100 F108 Y307 I310 F314 | Y100-P104 WeakPolarHBondContact O-CD 3.43Å; P104-F108 PolarHBondContact O-N 3.48Å; P104-Y307 WeakPolarHBondContact O-CE1 3.41Å; P104-Y307 PolarHBondContact O-OH 3.18Å; P104-I310 HydrophobicContact CB-CG2 4.43Å; P104-F314 HydrophobicContact CB-CB 4Å; P104-F314 HydrophobicContact CB-CD1 4.38Å; P104-F314 HydrophobicContact CB-CD2 3.52Å; P104-F314 HydrophobicContact CB-CE2 4.07Å; P104-F314 HydrophobicContact CB-CG 3.71Å; P104-F314 HydrophobicContact CG-CB 4.3Å; P104-F314 HydrophobicContact CG-CD1 3.89Å; P104-F314 HydrophobicContact CG-CD2 3.84Å; P104-F314 HydrophobicContact CG-CE1 4.14Å; P104-F314 HydrophobicContact CG-CE2 4.1Å; P104-F314 HydrophobicContact CG-CG 3.74Å; P104-F314 HydrophobicContact CG-CZ 4.24Å |
| 105 | G | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.4 | -37.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K102 F103 F108 L109 | K102-G105 CarbonylContact O-C 3.53Å; K102-G105 WeakPolarHBondContact O-CA 3.33Å; K102-G105 PolarHBondContact O-N 3.3Å; F103-G105 VanDerWaalsContact C-N 3.26Å; F103-G105 PolarHBondContact O-N 3.29Å; G105-F108 WeakPolarHBondContact O-CB 3.48Å; G105-F108 PolarHBondContact O-N 3.48Å; G105-L109 PolarHBondContact O-N 2.84Å; G105-L109 VanDerWaalsContact O-N 3.11Å |
| 106 | E | 90.7 | Very high | 91.9 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 174.2 | -171.9 | -178.3 | 151.1 | 0 | 0 | 112 | K102 F103 F108 L109 R110 | K102-E106 PolarHBondContact O-N 3.37Å; F103-E106 WeakPolarHBondContact O-CB 3.09Å; F103-E106 PolarHBondContact O-N 2.9Å; F103-E106 VanDerWaalsContact O-N 3.12Å; E106-F108 VanDerWaalsContact C-N 3.27Å; E106-F108 PolarHBondContact O-N 3.31Å; E106-L109 WeakPolarHBondContact O-CB 3.37Å; E106-L109 PolarHBondContact O-N 3.01Å; E106-R110 HydrophobicContact CG-CG 4.42Å; E106-R110 WeakPolarHBondContact O-CG 3.18Å; E106-R110 PolarHBondContact O-N 3.13Å; E106-R110 IonicContact OE1-CZ 3.64Å; E106-R110 VanDerWaalsContact OE1-CZ 3.22Å; E106-R110 IonicContact OE1-NE 2.67Å; E106-R110 PolarHBondContact OE1-NE 2.87Å; E106-R110 IonicContact OE1-NH2 3.53Å; E106-R110 PolarHBondContact OE1-NH2 3.44Å |
| 107 | I | 94.5 | Very high | 91.9 | Very high | 57 Ų | 57 | 57.4 Ų | 57.4 | 29% | 0.292 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.4 | -44.1 | 174 | -69.7 | 164.8 | 0 | 0 | 0 | 110.4 | F103 L109 R110 M111 Y307 | F103-I107 HydrophobicContact CD1-CD1 3.83Å; F103-I107 HydrophobicContact CE1-CD1 3.44Å; F103-I107 VanDerWaalsContact CE1-CD1 3.44Å; F103-I107 HydrophobicContact CE1-CG1 4.24Å; F103-I107 HydrophobicContact CE2-CG1 4.47Å; F103-I107 HydrophobicContact CZ-CD1 3.83Å; F103-I107 HydrophobicContact CZ-CG1 4.19Å; F103-I107 WeakPolarHBondContact O-CG1 3.49Å; F103-I107 PolarHBondContact O-N 3.44Å; I107-L109 PolarHBondContact O-N 2.94Å; I107-R110 PolarHBondContact O-N 3.36Å; I107-M111 HydrophobicContact CG2-CE 4.13Å; I107-M111 WeakPolarHBondContact O-CG 3.28Å; I107-M111 PolarHBondContact O-N 2.92Å; I107-Y307 HydrophobicContact CG2-CE1 4.29Å |
| 108 | F | 92 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 176.2 | 178.5 | -125.7 | 0 | 0 | 0 | 112.2 | P104 G105 E106 R110 M111 L112 V304 Y307 A308 I312 L315 T377 | P104-F108 PolarHBondContact O-N 3.48Å; G105-F108 WeakPolarHBondContact O-CB 3.48Å; G105-F108 PolarHBondContact O-N 3.48Å; E106-F108 VanDerWaalsContact C-N 3.27Å; E106-F108 PolarHBondContact O-N 3.31Å; F108-R110 PolarHBondContact O-N 3.14Å; F108-M111 HydrophobicContact CD2-CE 4.29Å; F108-M111 PolarHBondContact O-N 2.66Å; F108-L112 HydrophobicContact CD1-CD1 4.43Å; F108-L112 HydrophobicContact CE1-CD1 3.87Å; F108-L112 HydrophobicContact CE2-CD1 4.03Å; F108-L112 HydrophobicContact CE2-CD2 4.45Å; F108-L112 HydrophobicContact CE2-CG 4.15Å; F108-L112 HydrophobicContact CZ-CD1 3.63Å; F108-L112 HydrophobicContact CZ-CG 4.26Å; F108-L112 PolarHBondContact O-N 3.46Å; F108-L112 VanDerWaalsContact O-N 3.09Å; F108-V304 HydrophobicContact CD2-CG1 4.35Å; F108-V304 HydrophobicContact CE2-CG1 4.19Å; F108-Y307 HydrophobicContact CB-CD1 3.73Å; F108-Y307 HydrophobicContact CB-CE1 3.77Å; F108-Y307 AromaticContact CD2-CD1 3.95Å; F108-Y307 HydrophobicContact CD2-CD1 3.95Å; F108-Y307 HydrophobicContact CG-CD1 4.2Å; F108-A308 HydrophobicContact CE1-CB 4.19Å; F108-A308 HydrophobicContact CE2-CB 3.6Å; F108-A308 HydrophobicContact CZ-CB 3.4Å; F108-I312 HydrophobicContact CE1-CG1 4.43Å; F108-L315 HydrophobicContact CD1-CD1 4.18Å; F108-T377 HydrophobicContact CE1-CG2 3.9Å; F108-T377 HydrophobicContact CZ-CG2 4.29Å |
| 109 | L | 88.1 | Confident | 92 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 15% | 0.147 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 176.3 | -83 | 175.8 | 0 | 0 | 0 | 112.7 | G105 E106 I107 M111 L112 Q113 L315 T381 A386 | G105-L109 PolarHBondContact O-N 2.84Å; G105-L109 VanDerWaalsContact O-N 3.11Å; E106-L109 WeakPolarHBondContact O-CB 3.37Å; E106-L109 PolarHBondContact O-N 3.01Å; I107-L109 PolarHBondContact O-N 2.94Å; L109-M111 VanDerWaalsContact C-N 3.33Å; L109-M111 PolarHBondContact O-N 2.83Å; L109-L112 PolarHBondContact O-N 3.16Å; L109-Q113 WeakPolarHBondContact O-CB 3.2Å; L109-Q113 WeakPolarHBondContact O-CG 3.33Å; L109-Q113 PolarHBondContact O-N 3.36Å; L109-L315 HydrophobicContact CD1-CD1 4.45Å; L109-L315 HydrophobicContact CD1-CD2 3.84Å; L109-L315 HydrophobicContact CG-CD1 4.28Å; L109-L315 HydrophobicContact CG-CD2 4.44Å; L109-T381 HydrophobicContact CD1-CG2 4.34Å; L109-T381 HydrophobicContact CD2-CG2 3.21Å; L109-T381 HydrophobicContact CG-CG2 3.96Å; L109-A386 HydrophobicContact CD2-CB 3.89Å |
| 110 | R | 91.5 | Very high | 91.9 | Very high | 155 Ų | 155 | 49.9 Ų | 49.9 | 59% | 0.585 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -62.9 | -39.8 | 177.9 | -73.5 | 176.7 | 177.9 | -92.2 | 1.6 | 111.8 | E106 I107 F108 Q113 M114 | E106-R110 HydrophobicContact CG-CG 4.42Å; E106-R110 WeakPolarHBondContact O-CG 3.18Å; E106-R110 PolarHBondContact O-N 3.13Å; E106-R110 IonicContact OE1-CZ 3.64Å; E106-R110 VanDerWaalsContact OE1-CZ 3.22Å; E106-R110 IonicContact OE1-NE 2.67Å; E106-R110 PolarHBondContact OE1-NE 2.87Å; E106-R110 IonicContact OE1-NH2 3.53Å; E106-R110 PolarHBondContact OE1-NH2 3.44Å; I107-R110 PolarHBondContact O-N 3.36Å; F108-R110 PolarHBondContact O-N 3.14Å; R110-Q113 PolarHBondContact O-N 2.77Å; R110-M114 WeakPolarHBondContact O-CB 3.44Å; R110-M114 PolarHBondContact O-N 3.02Å |
| 111 | M | 92.6 | Very high | 91.8 | Very high | 45 Ų | 45 | 43.9 Ų | 43.9 | 22% | 0.222 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.4 | -41.5 | 174.9 | -73 | -170.5 | -65.9 | 0 | 0 | 112.1 | I107 F108 L109 L115 V304 Y307 | I107-M111 HydrophobicContact CG2-CE 4.13Å; I107-M111 WeakPolarHBondContact O-CG 3.28Å; I107-M111 PolarHBondContact O-N 2.92Å; F108-M111 HydrophobicContact CD2-CE 4.29Å; F108-M111 PolarHBondContact O-N 2.66Å; L109-M111 VanDerWaalsContact C-N 3.33Å; L109-M111 PolarHBondContact O-N 2.83Å; M111-L115 WeakPolarHBondContact O-CG 3.19Å; M111-V304 HydrophobicContact CB-CB 4.49Å; M111-V304 HydrophobicContact CB-CG1 3.64Å; M111-V304 HydrophobicContact CB-CG2 3.98Å; M111-V304 HydrophobicContact CE-CG1 4.36Å; M111-V304 HydrophobicContact SD-CG2 4.3Å; M111-Y307 HydrophobicContact CE-CD1 3.25Å; M111-Y307 HydrophobicContact CE-CD2 4.28Å; M111-Y307 HydrophobicContact CE-CE1 3.84Å; M111-Y307 HydrophobicContact CE-CG 3.5Å |
| 112 | L | 88.9 | Confident | 91.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.4 | -48.1 | 175 | -69.3 | 175.6 | 0 | 0 | 0 | 111.3 | F108 L109 M114 L115 I116 V304 T377 A386 | F108-L112 HydrophobicContact CD1-CD1 4.43Å; F108-L112 HydrophobicContact CE1-CD1 3.87Å; F108-L112 HydrophobicContact CE2-CD1 4.03Å; F108-L112 HydrophobicContact CE2-CD2 4.45Å; F108-L112 HydrophobicContact CE2-CG 4.15Å; F108-L112 HydrophobicContact CZ-CD1 3.63Å; F108-L112 HydrophobicContact CZ-CG 4.26Å; F108-L112 PolarHBondContact O-N 3.46Å; F108-L112 VanDerWaalsContact O-N 3.09Å; L109-L112 PolarHBondContact O-N 3.16Å; L112-M114 VanDerWaalsContact C-N 3.28Å; L112-M114 PolarHBondContact O-N 2.86Å; L112-L115 WeakPolarHBondContact O-CA 3.3Å; L112-L115 WeakPolarHBondContact O-CB 3.48Å; L112-L115 PolarHBondContact O-N 3.49Å; L112-I116 WeakPolarHBondContact O-CG1 3.49Å; L112-I116 PolarHBondContact O-N 3.09Å; L112-V304 HydrophobicContact CD2-CG1 3.82Å; L112-V304 HydrophobicContact CG-CG1 4.2Å; L112-T377 HydrophobicContact CD1-CG2 4.04Å; L112-A386 WeakPolarHBondContact CB-O 3.36Å; L112-A386 WeakPolarHBondContact CD1-O 3.39Å |
| 113 | Q | 87.9 | Confident | 91.7 | Very high | 106 Ų | 106 | 39.4 Ų | 39.4 | 50% | 0.495 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.8 | -38 | -179.5 | -75.3 | 177.2 | -12.2 | 0 | 0 | 113.1 | L109 R110 L115 I116 | L109-Q113 WeakPolarHBondContact O-CB 3.2Å; L109-Q113 WeakPolarHBondContact O-CG 3.33Å; L109-Q113 PolarHBondContact O-N 3.36Å; R110-Q113 PolarHBondContact O-N 2.77Å; Q113-L115 PolarHBondContact O-N 3.2Å; Q113-I116 HydrophobicContact CB-CD1 4.26Å; Q113-I116 HydrophobicContact CG-CD1 3.99Å; Q113-I116 PolarHBondContact O-N 2.69Å |
| 114 | M | 90.5 | Very high | 91.4 | Very high | 131 Ų | 131 | 34.5 Ų | 34.5 | 65% | 0.645 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -59.6 | -28.9 | 174.1 | -176.2 | 175.1 | 65.8 | 0 | 0 | 112.9 | R110 L112 | R110-M114 WeakPolarHBondContact O-CB 3.44Å; R110-M114 PolarHBondContact O-N 3.02Å; L112-M114 VanDerWaalsContact C-N 3.28Å; L112-M114 PolarHBondContact O-N 2.86Å |
| 115 | L | 91.8 | Very high | 91.3 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -92.2 | -14.6 | -178.5 | -61 | 176.6 | 0 | 0 | 0 | 113.4 | M111 L112 Q113 L119 M297 L300 I301 V304 | M111-L115 WeakPolarHBondContact O-CG 3.19Å; L112-L115 WeakPolarHBondContact O-CA 3.3Å; L112-L115 WeakPolarHBondContact O-CB 3.48Å; L112-L115 PolarHBondContact O-N 3.49Å; Q113-L115 PolarHBondContact O-N 3.2Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 PolarHBondContact O-N 3.06Å; L115-L119 VanDerWaalsContact O-N 3.12Å; L115-M297 HydrophobicContact CD2-SD 4.05Å; L115-L300 HydrophobicContact CD1-CB 4.24Å; L115-L300 HydrophobicContact CD2-CB 3.91Å; L115-L300 HydrophobicContact CD2-CD1 3.91Å; L115-I301 HydrophobicContact CB-CG1 4.46Å; L115-I301 HydrophobicContact CD1-CB 4.48Å; L115-I301 HydrophobicContact CD1-CG1 3.73Å; L115-V304 HydrophobicContact CD1-CB 4.32Å; L115-V304 HydrophobicContact CD1-CG2 3.76Å |
| 116 | I | 90.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 33.4 Ų | 33.4 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -56.4 | -174.7 | -56.9 | 169.4 | 0 | 0 | 0 | 110.8 | L112 Q113 L119 I120 M260 S385 P389 | L112-I116 WeakPolarHBondContact O-CG1 3.49Å; L112-I116 PolarHBondContact O-N 3.09Å; Q113-I116 HydrophobicContact CB-CD1 4.26Å; Q113-I116 HydrophobicContact CG-CD1 3.99Å; Q113-I116 PolarHBondContact O-N 2.69Å; I116-L119 PolarHBondContact O-N 2.88Å; I116-I120 HydrophobicContact CG2-CD1 3.45Å; I116-I120 VanDerWaalsContact CG2-CD1 3.45Å; I116-I120 HydrophobicContact CG2-CG1 4.02Å; I116-I120 WeakPolarHBondContact O-CB 3.13Å; I116-I120 VanDerWaalsContact O-CG1 3.3Å; I116-I120 WeakPolarHBondContact O-CG1 3.48Å; I116-I120 PolarHBondContact O-N 2.93Å; I116-M260 HydrophobicContact CB-CE 4.01Å; I116-M260 HydrophobicContact CG2-CE 3.29Å; I116-S385 WeakPolarHBondContact CD1-O 3.3Å; I116-P389 HydrophobicContact CB-CG 4.46Å; I116-P389 HydrophobicContact CG1-CG 3.83Å |
| 117 | L | 92.2 | Very high | 90.9 | Very high | 48 Ų | 48 | 31.4 Ų | 31.4 | 25% | 0.251 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60.9 | -54.6 | -173.5 | 172.8 | 69.4 | 0 | 0 | 0 | 112.3 | L119 I120 I121 C210 M260 L265 | L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 2.94Å; L117-I120 PolarHBondContact O-N 3.31Å; L117-I121 HydrophobicContact CD1-CD1 3.46Å; L117-I121 VanDerWaalsContact CD1-CD1 3.46Å; L117-I121 HydrophobicContact CD1-CG1 4.08Å; L117-I121 HydrophobicContact CG-CD1 4.03Å; L117-I121 WeakPolarHBondContact O-CG1 3.34Å; L117-I121 PolarHBondContact O-N 2.73Å; L117-I121 VanDerWaalsContact O-N 3.12Å; L117-C210 HydrophobicContact CD1-CB 4.27Å; L117-C210 HydrophobicContact CD2-CB 3.76Å; L117-M260 HydrophobicContact CB-CE 4.49Å; L117-M260 HydrophobicContact CB-SD 3.65Å; L117-M260 HydrophobicContact CD1-SD 3.52Å; L117-M260 VanDerWaalsContact CD1-SD 3.52Å; L117-M260 HydrophobicContact CG-SD 4.14Å; L117-L265 HydrophobicContact CD1-CD1 3.59Å; L117-L265 HydrophobicContact CD1-CD2 4.4Å |
| 118 | P | 93.3 | Very high | 90.5 | Very high | 43 Ų | 43 | 29 Ų | 29 | 28% | 0.279 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -62.9 | -35.9 | -180 | -21.9 | 34.5 | 0 | 0 | 0 | 112.3 | S122 M297 | P118-S122 WeakPolarHBondContact O-CB 3.25Å; P118-S122 PolarHBondContact O-N 3.45Å; P118-S122 PolarHBondContact O-OG 3.11Å; P118-M297 HydrophobicContact CB-CG 4.16Å; P118-M297 HydrophobicContact CB-SD 3.73Å; P118-M297 HydrophobicContact CG-SD 4.45Å |
| 119 | L | 92.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.3 | -52.3 | 176.8 | -176 | 74.8 | 0 | 0 | 0 | 111 | L115 I116 L117 I121 S122 T123 M297 M298 I301 P389 I392 | L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 PolarHBondContact O-N 3.06Å; L115-L119 VanDerWaalsContact O-N 3.12Å; I116-L119 PolarHBondContact O-N 2.88Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 2.94Å; L119-I121 VanDerWaalsContact C-N 3.31Å; L119-I121 PolarHBondContact O-N 2.84Å; L119-S122 PolarHBondContact O-N 3.31Å; L119-S122 PolarHBondContact O-OG 3.2Å; L119-S122 VanDerWaalsContact O-OG 3.12Å; L119-T123 HydrophobicContact CD1-CG2 3.47Å; L119-T123 VanDerWaalsContact CD1-CG2 3.47Å; L119-T123 HydrophobicContact CG-CG2 3.75Å; L119-T123 WeakPolarHBondContact O-CB 3.42Å; L119-T123 WeakPolarHBondContact O-CG2 3.17Å; L119-T123 PolarHBondContact O-N 3.12Å; L119-T123 PolarHBondContact O-OG1 3.17Å; L119-M297 HydrophobicContact CB-CB 4.37Å; L119-M297 HydrophobicContact CD1-CB 3.69Å; L119-M298 HydrophobicContact CD1-SD 4.19Å; L119-I301 HydrophobicContact CD1-CD1 3.78Å; L119-I301 HydrophobicContact CD2-CD1 3.52Å; L119-I301 HydrophobicContact CG-CD1 4.18Å; L119-P389 HydrophobicContact CD2-CB 3.67Å; L119-P389 HydrophobicContact CD2-CG 4.11Å; L119-I392 HydrophobicContact CD2-CD1 3.98Å |
| 120 | I | 90.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.4 | -49.1 | -178.7 | -72.3 | 180 | 0 | 0 | 0 | 110.3 | I116 L117 T123 I124 M260 I262 I266 L388 P411 | I116-I120 HydrophobicContact CG2-CD1 3.45Å; I116-I120 VanDerWaalsContact CG2-CD1 3.45Å; I116-I120 HydrophobicContact CG2-CG1 4.02Å; I116-I120 WeakPolarHBondContact O-CB 3.13Å; I116-I120 VanDerWaalsContact O-CG1 3.3Å; I116-I120 WeakPolarHBondContact O-CG1 3.48Å; I116-I120 PolarHBondContact O-N 2.93Å; L117-I120 PolarHBondContact O-N 3.31Å; I120-T123 WeakPolarHBondContact CA-OG1 3.44Å; I120-T123 PolarHBondContact O-N 3.23Å; I120-T123 PolarHBondContact O-OG1 2.92Å; I120-T123 VanDerWaalsContact O-OG1 3.06Å; I120-I124 HydrophobicContact CG2-CD1 3.56Å; I120-I124 HydrophobicContact CG2-CG1 4.43Å; I120-I124 WeakPolarHBondContact O-CB 3.44Å; I120-I124 WeakPolarHBondContact O-CG1 3.37Å; I120-I124 PolarHBondContact O-N 3.12Å; I120-M260 HydrophobicContact CD1-CE 4.03Å; I120-I262 HydrophobicContact CD1-CD1 4.4Å; I120-I262 HydrophobicContact CD1-CG1 4.22Å; I120-I262 HydrophobicContact CD1-CG2 4.03Å; I120-I266 HydrophobicContact CG2-CG1 4.48Å; I120-L388 HydrophobicContact CD1-CD2 3.65Å; I120-L388 HydrophobicContact CG1-CD2 3.94Å; I120-P411 HydrophobicContact CD1-CB 4.5Å; I120-P411 HydrophobicContact CG1-CB 4.44Å; I120-P411 HydrophobicContact CG1-CG 4.49Å |
| 121 | I | 92.9 | Very high | 89.1 | Confident | 23 Ų | 23 | 23.2 Ų | 23.2 | 12% | 0.118 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63 | -53.1 | -178.3 | -64.4 | 177.3 | 0 | 0 | 0 | 110.4 | L117 L119 T123 I124 V125 F269 F290 | L117-I121 HydrophobicContact CD1-CD1 3.46Å; L117-I121 VanDerWaalsContact CD1-CD1 3.46Å; L117-I121 HydrophobicContact CD1-CG1 4.08Å; L117-I121 HydrophobicContact CG-CD1 4.03Å; L117-I121 WeakPolarHBondContact O-CG1 3.34Å; L117-I121 PolarHBondContact O-N 2.73Å; L117-I121 VanDerWaalsContact O-N 3.12Å; L119-I121 VanDerWaalsContact C-N 3.31Å; L119-I121 PolarHBondContact O-N 2.84Å; I121-T123 VanDerWaalsContact C-N 3.29Å; I121-T123 PolarHBondContact O-N 3.18Å; I121-I124 PolarHBondContact O-N 3.32Å; I121-V125 WeakPolarHBondContact O-CG2 3.16Å; I121-V125 PolarHBondContact O-N 3.38Å; I121-F269 HydrophobicContact CB-CD2 4.33Å; I121-F269 HydrophobicContact CB-CE2 4.21Å; I121-F269 HydrophobicContact CB-CZ 4.35Å; I121-F269 HydrophobicContact CD1-CD2 4.25Å; I121-F269 HydrophobicContact CD1-CE2 3.45Å; I121-F269 VanDerWaalsContact CD1-CE2 3.45Å; I121-F269 HydrophobicContact CD1-CZ 3.76Å; I121-F269 HydrophobicContact CG1-CD2 3.72Å; I121-F269 HydrophobicContact CG1-CE2 3.45Å; I121-F269 VanDerWaalsContact CG1-CE2 3.45Å; I121-F269 HydrophobicContact CG1-CG 4.46Å; I121-F269 HydrophobicContact CG1-CZ 3.97Å; I121-F269 HydrophobicContact CG2-CD1 3.75Å; I121-F269 HydrophobicContact CG2-CD2 4.05Å; I121-F269 HydrophobicContact CG2-CE1 3.45Å; I121-F269 VanDerWaalsContact CG2-CE1 3.45Å; I121-F269 HydrophobicContact CG2-CE2 3.8Å; I121-F269 HydrophobicContact CG2-CG 4.04Å; I121-F269 HydrophobicContact CG2-CZ 3.48Å; I121-F269 VanDerWaalsContact CG2-CZ 3.48Å; I121-F290 HydrophobicContact CG2-CD1 4.23Å; I121-F290 HydrophobicContact CG2-CE1 3.57Å; I121-F290 HydrophobicContact CG2-CZ 4.31Å |
| 122 | S | 93.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.1 | -36.2 | -177.4 | 61.8 | 0 | 0 | 0 | 0 | 112.8 | P118 L119 S126 F290 E294 | P118-S122 WeakPolarHBondContact O-CB 3.25Å; P118-S122 PolarHBondContact O-N 3.45Å; P118-S122 PolarHBondContact O-OG 3.11Å; L119-S122 PolarHBondContact O-N 3.31Å; L119-S122 PolarHBondContact O-OG 3.2Å; L119-S122 VanDerWaalsContact O-OG 3.12Å; S122-S126 WeakPolarHBondContact O-CB 3.45Å; S122-S126 PolarHBondContact O-N 3.13Å; S122-S126 PolarHBondContact O-OG 3.1Å; S122-F290 WeakPolarHBondContact CB-O 3.41Å; S122-E294 WeakPolarHBondContact OG-CA 3.27Å |
| 123 | T | 88.5 | Confident | 88.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.4 | -42.3 | -179.5 | 57.2 | 0 | 0 | 0 | 0 | 112.4 | L119 I120 I121 S126 S127 E294 R407 | L119-T123 HydrophobicContact CD1-CG2 3.47Å; L119-T123 VanDerWaalsContact CD1-CG2 3.47Å; L119-T123 HydrophobicContact CG-CG2 3.75Å; L119-T123 WeakPolarHBondContact O-CB 3.42Å; L119-T123 WeakPolarHBondContact O-CG2 3.17Å; L119-T123 PolarHBondContact O-N 3.12Å; L119-T123 PolarHBondContact O-OG1 3.17Å; I120-T123 WeakPolarHBondContact CA-OG1 3.44Å; I120-T123 PolarHBondContact O-N 3.23Å; I120-T123 PolarHBondContact O-OG1 2.92Å; I120-T123 VanDerWaalsContact O-OG1 3.06Å; I121-T123 VanDerWaalsContact C-N 3.29Å; I121-T123 PolarHBondContact O-N 3.18Å; T123-S126 PolarHBondContact O-OG 2.81Å; T123-S127 WeakPolarHBondContact O-CB 2.97Å; T123-S127 PolarHBondContact O-N 3.19Å; T123-S127 PolarHBondContact O-OG 2.99Å; T123-E294 HydrophobicContact CG2-CG 3.73Å; T123-R407 HydrophobicContact CG2-CG 3.85Å |
| 124 | I | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -49.4 | 176.1 | -69.9 | 172.5 | 0 | 0 | 0 | 110.3 | I120 I121 S127 I128 I266 F269 V270 R407 | I120-I124 HydrophobicContact CG2-CD1 3.56Å; I120-I124 HydrophobicContact CG2-CG1 4.43Å; I120-I124 WeakPolarHBondContact O-CB 3.44Å; I120-I124 WeakPolarHBondContact O-CG1 3.37Å; I120-I124 PolarHBondContact O-N 3.12Å; I121-I124 PolarHBondContact O-N 3.32Å; I124-S127 PolarHBondContact O-N 3.35Å; I124-I128 HydrophobicContact CG2-CD1 3.7Å; I124-I128 HydrophobicContact CG2-CG1 4.47Å; I124-I128 WeakPolarHBondContact O-CB 3.36Å; I124-I128 WeakPolarHBondContact O-CG1 3.31Å; I124-I128 PolarHBondContact O-N 3.01Å; I124-I266 HydrophobicContact CD1-CB 4.09Å; I124-I266 HydrophobicContact CD1-CG1 3.6Å; I124-I266 HydrophobicContact CD1-CG2 4.24Å; I124-F269 HydrophobicContact CB-CB 4.49Å; I124-F269 HydrophobicContact CG2-CB 3.95Å; I124-V270 HydrophobicContact CG2-CG2 4.03Å; I124-R407 WeakPolarHBondContact CG1-O 3.46Å |
| 125 | V | 92.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.1 | -48.4 | -178.8 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | I121 S127 A129 F269 F272 A273 I276 F290 | I121-V125 WeakPolarHBondContact O-CG2 3.16Å; I121-V125 PolarHBondContact O-N 3.38Å; V125-S127 VanDerWaalsContact C-N 3.28Å; V125-S127 PolarHBondContact O-N 3.27Å; V125-A129 WeakPolarHBondContact O-CB 3.33Å; V125-A129 PolarHBondContact O-N 3.22Å; V125-F269 HydrophobicContact CG2-CB 4.11Å; V125-F269 HydrophobicContact CG2-CD1 3.57Å; V125-F269 HydrophobicContact CG2-CE1 4.43Å; V125-F269 HydrophobicContact CG2-CG 4.21Å; V125-F272 HydrophobicContact CG1-CD1 4.43Å; V125-F272 HydrophobicContact CG1-CE1 4.4Å; V125-F272 HydrophobicContact CG2-CD1 3.9Å; V125-F272 HydrophobicContact CG2-CE1 4.27Å; V125-A273 HydrophobicContact CB-CB 4.49Å; V125-A273 HydrophobicContact CG1-CB 4.36Å; V125-A273 HydrophobicContact CG2-CB 4.49Å; V125-I276 HydrophobicContact CG1-CD1 3.68Å; V125-F290 HydrophobicContact CB-CB 4.06Å; V125-F290 HydrophobicContact CB-CD1 4.29Å; V125-F290 HydrophobicContact CB-CD2 3.94Å; V125-F290 HydrophobicContact CB-CE2 4.49Å; V125-F290 HydrophobicContact CB-CG 3.83Å; V125-F290 HydrophobicContact CG1-CB 4Å; V125-F290 HydrophobicContact CG1-CD2 3.39Å; V125-F290 HydrophobicContact CG1-CE2 4.01Å; V125-F290 HydrophobicContact CG1-CG 3.75Å; V125-F290 HydrophobicContact CG2-CD2 4.37Å; V125-F290 HydrophobicContact CG2-CE2 4.45Å; V125-F290 HydrophobicContact CG2-CG 4.42Å |
| 126 | S | 88.7 | Confident | 87.7 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.4 | -34.3 | 178.4 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | S122 T123 Q130 | S122-S126 WeakPolarHBondContact O-CB 3.45Å; S122-S126 PolarHBondContact O-N 3.13Å; S122-S126 PolarHBondContact O-OG 3.1Å; T123-S126 PolarHBondContact O-OG 2.81Å; S126-Q130 VanDerWaalsContact O-CD 3.28Å; S126-Q130 WeakPolarHBondContact O-CG 3.5Å; S126-Q130 PolarHBondContact O-NE2 3.03Å |
| 127 | S | 85.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -76.5 | -53.6 | 179.7 | -74.7 | 0 | 0 | 0 | 0 | 113.5 | T123 I124 V125 Q130 P403 R404 R407 | T123-S127 WeakPolarHBondContact O-CB 2.97Å; T123-S127 PolarHBondContact O-N 3.19Å; T123-S127 PolarHBondContact O-OG 2.99Å; I124-S127 PolarHBondContact O-N 3.35Å; V125-S127 VanDerWaalsContact C-N 3.28Å; V125-S127 PolarHBondContact O-N 3.27Å; S127-Q130 WeakPolarHBondContact O-CB 3.42Å; S127-Q130 PolarHBondContact O-N 2.93Å; S127-P403 PolarHBondContact OG-O 3.13Å; S127-R404 WeakPolarHBondContact OG-CA 3.48Å; S127-R407 WeakPolarHBondContact OG-CB 3.38Å; S127-R407 WeakPolarHBondContact OG-CD 3.2Å |
| 128 | I | 86.2 | Confident | 87.5 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.9 | -35.1 | -173.8 | -63.4 | 178.2 | 0 | 0 | 0 | 110.4 | I124 Q130 L131 V270 A273 I274 F408 | I124-I128 HydrophobicContact CG2-CD1 3.7Å; I124-I128 HydrophobicContact CG2-CG1 4.47Å; I124-I128 WeakPolarHBondContact O-CB 3.36Å; I124-I128 WeakPolarHBondContact O-CG1 3.31Å; I124-I128 PolarHBondContact O-N 3.01Å; I128-Q130 PolarHBondContact O-N 3.14Å; I128-Q130 VanDerWaalsContact O-N 3.09Å; I128-L131 PolarHBondContact O-N 3.47Å; I128-V270 HydrophobicContact CD1-CB 3.93Å; I128-V270 HydrophobicContact CD1-CG1 4Å; I128-V270 HydrophobicContact CD1-CG2 3.39Å; I128-A273 HydrophobicContact CB-CB 3.72Å; I128-A273 HydrophobicContact CG2-CB 3.78Å; I128-I274 HydrophobicContact CG2-CG1 4.05Å; I128-F408 HydrophobicContact CD1-CD2 3.92Å; I128-F408 HydrophobicContact CD1-CE2 4.44Å |
| 129 | A | 83.4 | Confident | 87.4 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -10.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V125 A273 I276 S277 R287 | V125-A129 WeakPolarHBondContact O-CB 3.33Å; V125-A129 PolarHBondContact O-N 3.22Å; A129-A273 HydrophobicContact CB-CB 4.39Å; A129-I276 HydrophobicContact CB-CB 4.48Å; A129-I276 HydrophobicContact CB-CG2 3.93Å; A129-S277 VanDerWaalsContact C-OG 3.28Å; A129-S277 WeakPolarHBondContact CA-OG 3.45Å; A129-S277 PolarHBondContact O-OG 2.92Å; A129-R287 HydrophobicContact CB-CG 3.86Å; A129-R287 VanDerWaalsContact O-CZ 3.31Å; A129-R287 PolarHBondContact O-NE 3.45Å; A129-R287 PolarHBondContact O-NH2 3.28Å |
| 130 | Q | 76.5 | Confident | 87.3 | Confident | 52 Ų | 52 | 25.1 Ų | 25.1 | 24% | 0.243 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -9 | 173 | -70.2 | -177.8 | 67.7 | 0 | 0 | 113.4 | S126 S127 I128 | S126-Q130 VanDerWaalsContact O-CD 3.28Å; S126-Q130 WeakPolarHBondContact O-CG 3.5Å; S126-Q130 PolarHBondContact O-NE2 3.03Å; S127-Q130 WeakPolarHBondContact O-CB 3.42Å; S127-Q130 PolarHBondContact O-N 2.93Å; I128-Q130 PolarHBondContact O-N 3.14Å; I128-Q130 VanDerWaalsContact O-N 3.09Å |
| 131 | L | 81.6 | Confident | 87.5 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -96.5 | 146.6 | 179.7 | -66.5 | 176 | 0 | 0 | 0 | 110.7 | I128 T135 A136 L139 R404 L521 | I128-L131 PolarHBondContact O-N 3.47Å; L131-T135 HydrophobicContact CD2-CG2 3.84Å; L131-A136 HydrophobicContact CB-CB 4.37Å; L131-A136 HydrophobicContact CD1-CB 4.5Å; L131-L139 HydrophobicContact CD1-CD2 4.05Å; L131-R404 HydrophobicContact CD1-CB 4.35Å; L131-R404 HydrophobicContact CD2-CB 4.34Å; L131-R404 HydrophobicContact CD2-CG 4.44Å; L131-R404 HydrophobicContact CG-CB 4.48Å; L131-L521 HydrophobicContact CD2-CD2 3.82Å |
| 132 | N | 82.2 | Confident | 87.7 | Confident | 35 Ų | 35 | 30.8 Ų | 30.8 | 19% | 0.187 | 16% | 0.164 | C | C | . | . | trans | -69.4 | 154.4 | 162.2 | 67.8 | 12.9 | 0 | 0 | 0 | 109.8 | R134 T135 A136 S524 E527 | N132-R134 PolarHBondContact O-N 3.1Å; N132-T135 PolarHBondContact O-N 3.03Å; N132-T135 VanDerWaalsContact O-N 3.16Å; N132-T135 WeakPolarHBondContact OD1-CA 3.46Å; N132-T135 WeakPolarHBondContact OD1-CB 3.16Å; N132-T135 PolarHBondContact OD1-N 3.42Å; N132-T135 PolarHBondContact OD1-OG1 2.76Å; N132-A136 PolarHBondContact O-N 3.29Å; N132-S524 PolarHBondContact N-OG 3.02Å; N132-E527 PolarHBondContact ND2-OE2 3.33Å | ||
| 133 | T | 80.3 | Confident | 87.7 | Confident | 93 Ų | 93 | 30.8 Ų | 30.8 | 57% | 0.571 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -57.4 | -35.8 | -176.7 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | G137 I274 | T133-G137 PolarHBondContact O-N 3.17Å; T133-I274 HydrophobicContact CG2-CG2 4.27Å |
| 134 | R | 85.7 | Confident | 87.9 | Confident | 179 Ų | 179 | 34.8 Ų | 34.8 | 68% | 0.675 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -63.7 | -48.6 | 176.6 | -172 | 177.3 | -179.3 | 173.8 | 3.7 | 112.4 | N132 A136 G137 E138 | N132-R134 PolarHBondContact O-N 3.1Å; R134-A136 VanDerWaalsContact C-N 3.33Å; R134-A136 PolarHBondContact O-N 3.42Å; R134-G137 PolarHBondContact O-N 3.1Å; R134-E138 VanDerWaalsContact O-CG 3.31Å; R134-E138 WeakPolarHBondContact O-CG 3.41Å; R134-E138 PolarHBondContact O-N 3.46Å |
| 135 | T | 86.9 | Confident | 88.1 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.1 | -35.4 | 180 | -57.6 | 0 | 0 | 0 | 0 | 111.2 | L131 N132 G137 E138 L139 Y520 L521 | L131-T135 HydrophobicContact CD2-CG2 3.84Å; N132-T135 PolarHBondContact O-N 3.03Å; N132-T135 VanDerWaalsContact O-N 3.16Å; N132-T135 WeakPolarHBondContact OD1-CA 3.46Å; N132-T135 WeakPolarHBondContact OD1-CB 3.16Å; N132-T135 PolarHBondContact OD1-N 3.42Å; N132-T135 PolarHBondContact OD1-OG1 2.76Å; T135-G137 VanDerWaalsContact C-N 3.33Å; T135-E138 PolarHBondContact O-N 3.24Å; T135-L139 VanDerWaalsContact O-CB 3.31Å; T135-L139 WeakPolarHBondContact O-CB 3.45Å; T135-L139 PolarHBondContact O-N 2.97Å; T135-Y520 PolarHBondContact OG1-O 3.16Å; T135-L521 HydrophobicContact CG2-CD2 4.07Å |
| 136 | A | 86 | Confident | 88.3 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L131 N132 R134 L139 G140 | L131-A136 HydrophobicContact CB-CB 4.37Å; L131-A136 HydrophobicContact CD1-CB 4.5Å; N132-A136 PolarHBondContact O-N 3.29Å; R134-A136 VanDerWaalsContact C-N 3.33Å; R134-A136 PolarHBondContact O-N 3.42Å; A136-L139 PolarHBondContact O-N 3.06Å; A136-G140 PolarHBondContact O-N 2.92Å |
| 137 | G | 88 | Confident | 88.6 | Confident | 45 Ų | 45 | 40 Ų | 40 | 46% | 0.464 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | T133 R134 T135 G140 M141 | T133-G137 PolarHBondContact O-N 3.17Å; R134-G137 PolarHBondContact O-N 3.1Å; T135-G137 VanDerWaalsContact C-N 3.33Å; G137-G140 PolarHBondContact O-N 3.19Å; G137-M141 WeakPolarHBondContact O-CB 3.35Å; G137-M141 PolarHBondContact O-N 2.72Å |
| 138 | E | 91.4 | Very high | 88.9 | Confident | 36 Ų | 36 | 45.8 Ų | 45.8 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.9 | -63.6 | -77.7 | -177.3 | 0 | 0 | 111.3 | R134 T135 G140 M141 Y142 Y520 | R134-E138 VanDerWaalsContact O-CG 3.31Å; R134-E138 WeakPolarHBondContact O-CG 3.41Å; R134-E138 PolarHBondContact O-N 3.46Å; T135-E138 PolarHBondContact O-N 3.24Å; E138-G140 VanDerWaalsContact C-N 3.34Å; E138-G140 PolarHBondContact O-N 3.01Å; E138-M141 PolarHBondContact O-N 3.17Å; E138-M141 WeakPolarHBondContact OE2-CE 3.29Å; E138-Y142 HydrophobicContact CB-CE2 4.37Å; E138-Y142 WeakPolarHBondContact O-CD2 3.21Å; E138-Y142 PolarHBondContact O-N 3.22Å; E138-Y520 HydrophobicContact CB-CD1 4.4Å; E138-Y520 HydrophobicContact CB-CE1 4.43Å; E138-Y520 HydrophobicContact CG-CD1 3.93Å; E138-Y520 HydrophobicContact CG-CE1 3.71Å |
| 139 | L | 91.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.3 | -47.2 | 174.8 | -176.9 | 71.6 | 0 | 0 | 0 | 111.3 | L131 T135 A136 T143 R404 V405 F408 V409 V513 C517 | L131-L139 HydrophobicContact CD1-CD2 4.05Å; T135-L139 VanDerWaalsContact O-CB 3.31Å; T135-L139 WeakPolarHBondContact O-CB 3.45Å; T135-L139 PolarHBondContact O-N 2.97Å; A136-L139 PolarHBondContact O-N 3.06Å; L139-T143 WeakPolarHBondContact O-CB 3.43Å; L139-T143 PolarHBondContact O-N 3.39Å; L139-T143 VanDerWaalsContact O-N 3.14Å; L139-T143 PolarHBondContact O-OG1 3.48Å; L139-R404 WeakPolarHBondContact CD2-O 3.37Å; L139-V405 HydrophobicContact CD1-CB 4.26Å; L139-V405 HydrophobicContact CD1-CG1 4.13Å; L139-V405 HydrophobicContact CD1-CG2 3.83Å; L139-F408 HydrophobicContact CD2-CB 4Å; L139-F408 HydrophobicContact CD2-CD1 3.88Å; L139-F408 HydrophobicContact CD2-CG 4.07Å; L139-F408 HydrophobicContact CG-CD1 3.96Å; L139-V409 HydrophobicContact CD1-CG2 4.5Å; L139-V513 HydrophobicContact CD1-CG1 3.65Å; L139-C517 HydrophobicContact CD1-CB 4.41Å |
| 140 | G | 90.6 | Very high | 89.9 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.1 | -50.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A136 G137 E138 T143 V144 | A136-G140 PolarHBondContact O-N 2.92Å; G137-G140 PolarHBondContact O-N 3.19Å; E138-G140 VanDerWaalsContact C-N 3.34Å; E138-G140 PolarHBondContact O-N 3.01Å; G140-T143 WeakPolarHBondContact O-CB 3.22Å; G140-T143 PolarHBondContact O-N 3.36Å; G140-V144 WeakPolarHBondContact O-CG2 3.13Å; G140-V144 PolarHBondContact O-N 2.95Å |
| 141 | M | 94.2 | Very high | 90.7 | Very high | 90 Ų | 90 | 46 Ų | 46 | 44% | 0.443 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.5 | -49.8 | -178.5 | -177.8 | -177.6 | 66 | 0 | 0 | 112.3 | G137 E138 T143 V144 I145 | G137-M141 WeakPolarHBondContact O-CB 3.35Å; G137-M141 PolarHBondContact O-N 2.72Å; E138-M141 PolarHBondContact O-N 3.17Å; E138-M141 WeakPolarHBondContact OE2-CE 3.29Å; M141-T143 PolarHBondContact O-N 2.85Å; M141-V144 PolarHBondContact O-N 2.93Å; M141-I145 HydrophobicContact CG-CD1 3.8Å; M141-I145 VanDerWaalsContact O-CG1 3.32Å; M141-I145 WeakPolarHBondContact O-CG1 3.5Å; M141-I145 PolarHBondContact O-N 3.36Å |
| 142 | Y | 95.6 | Very high | 91.2 | Very high | 54 Ų | 54 | 50 Ų | 50 | 21% | 0.212 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -33.7 | 178.6 | -74.6 | -60.2 | 0 | 0 | 0 | 112.5 | E138 Y146 L516 C517 Y520 | E138-Y142 HydrophobicContact CB-CE2 4.37Å; E138-Y142 WeakPolarHBondContact O-CD2 3.21Å; E138-Y142 PolarHBondContact O-N 3.22Å; Y142-Y146 WeakPolarHBondContact O-CB 3.23Å; Y142-Y146 PolarHBondContact O-N 3.38Å; Y142-L516 HydrophobicContact CD1-CB 4.21Å; Y142-L516 HydrophobicContact CD1-CD1 3.84Å; Y142-L516 HydrophobicContact CD2-CB 4.4Å; Y142-L516 HydrophobicContact CE1-CB 4.4Å; Y142-L516 HydrophobicContact CE1-CD1 4.41Å; Y142-L516 HydrophobicContact CG-CB 4.21Å; Y142-L516 HydrophobicContact CG-CD1 4.3Å; Y142-C517 VanDerWaalsContact CD2-SG 3.52Å; Y142-Y520 HydrophobicContact CE2-CE2 4.06Å |
| 143 | T | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.2 | -49.6 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | L139 G140 M141 I145 Y146 Y147 F408 V409 L412 | L139-T143 WeakPolarHBondContact O-CB 3.43Å; L139-T143 PolarHBondContact O-N 3.39Å; L139-T143 VanDerWaalsContact O-N 3.14Å; L139-T143 PolarHBondContact O-OG1 3.48Å; G140-T143 WeakPolarHBondContact O-CB 3.22Å; G140-T143 PolarHBondContact O-N 3.36Å; M141-T143 PolarHBondContact O-N 2.85Å; T143-I145 PolarHBondContact O-N 2.77Å; T143-Y146 PolarHBondContact O-N 3.35Å; T143-Y147 HydrophobicContact CG2-CD2 3.71Å; T143-Y147 HydrophobicContact CG2-CE2 3.23Å; T143-Y147 WeakPolarHBondContact O-CD2 3.3Å; T143-Y147 VanDerWaalsContact O-CG 3.32Å; T143-Y147 PolarHBondContact O-N 3.19Å; T143-F408 HydrophobicContact CG2-CE1 4.35Å; T143-V409 HydrophobicContact CG2-CB 4.42Å; T143-V409 HydrophobicContact CG2-CG1 4.13Å; T143-V409 HydrophobicContact CG2-CG2 4.15Å; T143-V409 WeakPolarHBondContact OG1-CG2 3.43Å; T143-L412 HydrophobicContact CG2-CD2 3.89Å |
| 144 | V | 93.3 | Very high | 92.7 | Very high | 83 Ų | 83 | 47.2 Ų | 47.2 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63 | -43.6 | 178.8 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | G140 M141 Y146 Y147 F148 | G140-V144 WeakPolarHBondContact O-CG2 3.13Å; G140-V144 PolarHBondContact O-N 2.95Å; M141-V144 PolarHBondContact O-N 2.93Å; V144-Y146 VanDerWaalsContact C-N 3.34Å; V144-Y146 PolarHBondContact O-N 3.02Å; V144-Y147 PolarHBondContact O-N 2.93Å; V144-F148 WeakPolarHBondContact O-CB 3.3Å; V144-F148 PolarHBondContact O-N 2.89Å |
| 145 | I | 95.1 | Very high | 93.2 | Very high | 89 Ų | 89 | 38.7 Ų | 38.7 | 46% | 0.456 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 177.4 | -69.7 | 169.3 | 0 | 0 | 0 | 110.6 | M141 T143 T149 | M141-I145 HydrophobicContact CG-CD1 3.8Å; M141-I145 VanDerWaalsContact O-CG1 3.32Å; M141-I145 WeakPolarHBondContact O-CG1 3.5Å; M141-I145 PolarHBondContact O-N 3.36Å; T143-I145 PolarHBondContact O-N 2.77Å; I145-T149 VanDerWaalsContact O-CB 3.26Å; I145-T149 WeakPolarHBondContact O-CB 3.34Å; I145-T149 PolarHBondContact O-N 3.22Å; I145-T149 PolarHBondContact O-OG1 3Å |
| 146 | Y | 96.4 | Very high | 93.6 | Very high | 17 Ų | 17 | 41.1 Ų | 41.1 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.7 | -53.1 | 178.6 | 173 | -100.1 | 0 | 0 | 0 | 111 | Y142 T143 V144 F148 T149 T150 L355 G505 G509 I512 | Y142-Y146 WeakPolarHBondContact O-CB 3.23Å; Y142-Y146 PolarHBondContact O-N 3.38Å; T143-Y146 PolarHBondContact O-N 3.35Å; V144-Y146 VanDerWaalsContact C-N 3.34Å; V144-Y146 PolarHBondContact O-N 3.02Å; Y146-F148 PolarHBondContact O-N 3.01Å; Y146-T149 PolarHBondContact O-N 3.27Å; Y146-T149 VanDerWaalsContact O-N 3.16Å; Y146-T150 HydrophobicContact CD2-CG2 4.03Å; Y146-T150 HydrophobicContact CE1-CG2 4.1Å; Y146-T150 HydrophobicContact CE2-CG2 3.49Å; Y146-T150 VanDerWaalsContact CE2-CG2 3.49Å; Y146-T150 PolarHBondContact O-N 3.37Å; Y146-T150 PolarHBondContact O-OG1 2.97Å; Y146-L355 HydrophobicContact CE2-CD1 4.45Å; Y146-G505 PolarHBondContact OH-O 3.09Å; Y146-G505 VanDerWaalsContact OH-O 3.07Å; Y146-G509 PolarHBondContact OH-N 3.04Å; Y146-I512 HydrophobicContact CD2-CD1 4.32Å; Y146-I512 HydrophobicContact CD2-CG2 4.35Å; Y146-I512 HydrophobicContact CE2-CD1 3.58Å |
| 147 | Y | 94.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -46.2 | -178 | -65.1 | -25.7 | 0 | 0 | 0 | 113.2 | T143 V144 T149 T150 T151 V409 L412 G413 I416 N417 | T143-Y147 HydrophobicContact CG2-CD2 3.71Å; T143-Y147 HydrophobicContact CG2-CE2 3.23Å; T143-Y147 WeakPolarHBondContact O-CD2 3.3Å; T143-Y147 VanDerWaalsContact O-CG 3.32Å; T143-Y147 PolarHBondContact O-N 3.19Å; V144-Y147 PolarHBondContact O-N 2.93Å; Y147-T149 VanDerWaalsContact C-N 3.26Å; Y147-T149 PolarHBondContact O-N 3.41Å; Y147-T150 PolarHBondContact O-N 2.96Å; Y147-T150 PolarHBondContact O-OG1 3.43Å; Y147-T151 VanDerWaalsContact O-CB 3.3Å; Y147-T151 WeakPolarHBondContact O-CB 3.42Å; Y147-T151 PolarHBondContact O-N 3.25Å; Y147-T151 PolarHBondContact O-OG1 3.4Å; Y147-V409 HydrophobicContact CE1-CG1 4.46Å; Y147-V409 VanDerWaalsContact OH-C 3.29Å; Y147-V409 WeakPolarHBondContact OH-CG1 3.14Å; Y147-V409 PolarHBondContact OH-O 3.38Å; Y147-L412 HydrophobicContact CE2-CB 4.39Å; Y147-L412 HydrophobicContact CE2-CD2 4.32Å; Y147-L412 HydrophobicContact CE2-CG 4.18Å; Y147-G413 VanDerWaalsContact CZ-CA 3.46Å; Y147-G413 VanDerWaalsContact OH-CA 3.28Å; Y147-G413 WeakPolarHBondContact OH-CA 3.32Å; Y147-G413 PolarHBondContact OH-N 2.9Å; Y147-I416 HydrophobicContact CD2-CD1 3.83Å; Y147-I416 HydrophobicContact CD2-CG1 3.88Å; Y147-I416 HydrophobicContact CE2-CD1 4.42Å; Y147-I416 HydrophobicContact CE2-CG1 4.3Å; Y147-N417 WeakPolarHBondContact CA-OD1 3.5Å; Y147-N417 WeakPolarHBondContact CB-OD1 3.01Å; Y147-N417 HydrophobicContact CD1-CB 3.39Å; Y147-N417 WeakPolarHBondContact CD1-ND2 3.44Å; Y147-N417 WeakPolarHBondContact CD1-OD1 3.45Å; Y147-N417 HydrophobicContact CD2-CB 3.91Å; Y147-N417 HydrophobicContact CE1-CB 3.72Å; Y147-N417 HydrophobicContact CE2-CB 4.16Å; Y147-N417 HydrophobicContact CG-CB 3.51Å |
| 148 | F | 92.5 | Very high | 94.5 | Very high | 123 Ų | 123 | 39.1 Ų | 39.1 | 54% | 0.539 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.4 | -40.7 | 176.1 | -174 | -95.1 | 0 | 0 | 0 | 111.5 | V144 Y146 F152 T453 | V144-F148 WeakPolarHBondContact O-CB 3.3Å; V144-F148 PolarHBondContact O-N 2.89Å; Y146-F148 PolarHBondContact O-N 3.01Å; F148-F152 WeakPolarHBondContact O-CB 3.04Å; F148-F152 PolarHBondContact O-N 3.44Å; F148-T453 HydrophobicContact CE2-CG2 4.43Å |
| 149 | T | 93.8 | Very high | 94.7 | Very high | 61 Ų | 61 | 38.2 Ų | 38.2 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.5 | -47.3 | -179.8 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | I145 Y146 Y147 F152 L153 | I145-T149 VanDerWaalsContact O-CB 3.26Å; I145-T149 WeakPolarHBondContact O-CB 3.34Å; I145-T149 PolarHBondContact O-N 3.22Å; I145-T149 PolarHBondContact O-OG1 3Å; Y146-T149 PolarHBondContact O-N 3.27Å; Y146-T149 VanDerWaalsContact O-N 3.16Å; Y147-T149 VanDerWaalsContact C-N 3.26Å; Y147-T149 PolarHBondContact O-N 3.41Å; T149-F152 PolarHBondContact O-N 2.85Å; T149-L153 HydrophobicContact CG2-CD1 4.1Å; T149-L153 HydrophobicContact CG2-CG 4.49Å; T149-L153 WeakPolarHBondContact O-CB 3.2Å; T149-L153 VanDerWaalsContact O-CG 3.23Å; T149-L153 WeakPolarHBondContact O-CG 3.39Å; T149-L153 PolarHBondContact O-N 2.97Å |
| 150 | T | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.4 | -43 | -179.2 | 50.3 | 0 | 0 | 0 | 0 | 111.8 | Y146 Y147 F152 L153 A154 L352 L355 N417 D419 | Y146-T150 HydrophobicContact CD2-CG2 4.03Å; Y146-T150 HydrophobicContact CE1-CG2 4.1Å; Y146-T150 HydrophobicContact CE2-CG2 3.49Å; Y146-T150 VanDerWaalsContact CE2-CG2 3.49Å; Y146-T150 PolarHBondContact O-N 3.37Å; Y146-T150 PolarHBondContact O-OG1 2.97Å; Y147-T150 PolarHBondContact O-N 2.96Å; Y147-T150 PolarHBondContact O-OG1 3.43Å; T150-F152 PolarHBondContact O-N 3.49Å; T150-L153 PolarHBondContact O-N 2.69Å; T150-A154 WeakPolarHBondContact O-CB 3.41Å; T150-A154 PolarHBondContact O-N 2.93Å; T150-L352 HydrophobicContact CG2-CD2 4.06Å; T150-L355 HydrophobicContact CG2-CD1 3.7Å; T150-N417 PolarHBondContact OG1-OD1 2.79Å; T150-D419 VanDerWaalsContact C-OD1 3.27Å; T150-D419 WeakPolarHBondContact CB-OD2 3.32Å; T150-D419 PolarHBondContact OG1-OD1 2.75Å; T150-D419 PolarHBondContact OG1-OD2 3.45Å |
| 151 | T | 94.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 178.7 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | Y147 L153 A154 V155 N417 D419 A422 T453 S456 | Y147-T151 VanDerWaalsContact O-CB 3.3Å; Y147-T151 WeakPolarHBondContact O-CB 3.42Å; Y147-T151 PolarHBondContact O-N 3.25Å; Y147-T151 PolarHBondContact O-OG1 3.4Å; T151-L153 PolarHBondContact O-N 3.23Å; T151-A154 WeakPolarHBondContact O-CB 3.38Å; T151-A154 PolarHBondContact O-N 2.82Å; T151-V155 WeakPolarHBondContact O-CG2 3.44Å; T151-V155 PolarHBondContact O-N 2.92Å; T151-N417 PolarHBondContact OG1-OD1 2.82Å; T151-D419 WeakPolarHBondContact CA-OD1 3.5Å; T151-D419 PolarHBondContact N-OD1 3.21Å; T151-D419 PolarHBondContact OG1-OD1 3.25Å; T151-A422 HydrophobicContact CG2-CB 3.62Å; T151-T453 HydrophobicContact CG2-CG2 4.1Å; T151-S456 WeakPolarHBondContact CG2-OG 3.37Å |
| 152 | F | 92.6 | Very high | 95.2 | Very high | 92 Ų | 92 | 38.1 Ų | 38.1 | 40% | 0.404 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 175.2 | -177.7 | -103 | 0 | 0 | 0 | 112.3 | F148 T149 T150 A154 V155 V156 | F148-F152 WeakPolarHBondContact O-CB 3.04Å; F148-F152 PolarHBondContact O-N 3.44Å; T149-F152 PolarHBondContact O-N 2.85Å; T150-F152 PolarHBondContact O-N 3.49Å; F152-A154 VanDerWaalsContact C-N 3.33Å; F152-A154 PolarHBondContact O-N 3.07Å; F152-V155 PolarHBondContact O-N 3.38Å; F152-V156 HydrophobicContact CD1-CG2 4.22Å; F152-V156 HydrophobicContact CE1-CG2 3.8Å; F152-V156 HydrophobicContact CE2-CG2 4.22Å; F152-V156 HydrophobicContact CZ-CG2 3.8Å; F152-V156 WeakPolarHBondContact O-CG2 3.46Å; F152-V156 PolarHBondContact O-N 3.23Å |
| 153 | L | 95.5 | Very high | 95.1 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 36% | 0.361 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61 | -41.6 | 175 | -72.5 | 173.1 | 0 | 0 | 0 | 111.7 | T149 T150 T151 V156 E157 V351 | T149-L153 HydrophobicContact CG2-CD1 4.1Å; T149-L153 HydrophobicContact CG2-CG 4.49Å; T149-L153 WeakPolarHBondContact O-CB 3.2Å; T149-L153 VanDerWaalsContact O-CG 3.23Å; T149-L153 WeakPolarHBondContact O-CG 3.39Å; T149-L153 PolarHBondContact O-N 2.97Å; T150-L153 PolarHBondContact O-N 2.69Å; T151-L153 PolarHBondContact O-N 3.23Å; L153-V156 PolarHBondContact O-N 3.32Å; L153-E157 WeakPolarHBondContact O-CB 3.42Å; L153-E157 PolarHBondContact O-N 2.85Å; L153-V351 HydrophobicContact CB-CG1 4.45Å; L153-V351 HydrophobicContact CD1-CG1 4.15Å |
| 154 | A | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T150 T151 F152 E157 G158 D419 L423 | T150-A154 WeakPolarHBondContact O-CB 3.41Å; T150-A154 PolarHBondContact O-N 2.93Å; T151-A154 WeakPolarHBondContact O-CB 3.38Å; T151-A154 PolarHBondContact O-N 2.82Å; F152-A154 VanDerWaalsContact C-N 3.33Å; F152-A154 PolarHBondContact O-N 3.07Å; A154-E157 PolarHBondContact O-N 3.01Å; A154-G158 PolarHBondContact O-N 3.44Å; A154-D419 HydrophobicContact CB-CB 3.92Å; A154-D419 WeakPolarHBondContact CB-O 3.28Å; A154-L423 HydrophobicContact CB-CB 4.18Å; A154-L423 HydrophobicContact CB-CD1 4.49Å; A154-L423 WeakPolarHBondContact O-CD1 3.38Å; A154-L423 WeakPolarHBondContact O-CG 3.45Å |
| 155 | V | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -48 | 176.1 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | T151 F152 E157 G158 I159 A422 A426 S449 A452 | T151-V155 WeakPolarHBondContact O-CG2 3.44Å; T151-V155 PolarHBondContact O-N 2.92Å; F152-V155 PolarHBondContact O-N 3.38Å; V155-E157 VanDerWaalsContact C-N 3.3Å; V155-E157 PolarHBondContact O-N 2.85Å; V155-G158 PolarHBondContact O-N 3.05Å; V155-I159 HydrophobicContact CG1-CD1 3.8Å; V155-I159 HydrophobicContact CG1-CG1 4.46Å; V155-I159 VanDerWaalsContact O-CG1 3.28Å; V155-I159 WeakPolarHBondContact O-CG1 3.27Å; V155-I159 PolarHBondContact O-N 3.46Å; V155-A422 HydrophobicContact CG2-CB 3.45Å; V155-A422 VanDerWaalsContact CG2-CB 3.45Å; V155-A426 HydrophobicContact CG1-CB 4.3Å; V155-S449 WeakPolarHBondContact CG1-OG 3.44Å; V155-A452 HydrophobicContact CG2-CB 4.42Å |
| 156 | V | 94.9 | Very high | 94.9 | Very high | 56 Ų | 56 | 43.3 Ų | 43.3 | 34% | 0.339 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.5 | -43.9 | 177.2 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | F152 L153 I159 V160 | F152-V156 HydrophobicContact CD1-CG2 4.22Å; F152-V156 HydrophobicContact CE1-CG2 3.8Å; F152-V156 HydrophobicContact CE2-CG2 4.22Å; F152-V156 HydrophobicContact CZ-CG2 3.8Å; F152-V156 WeakPolarHBondContact O-CG2 3.46Å; F152-V156 PolarHBondContact O-N 3.23Å; L153-V156 PolarHBondContact O-N 3.32Å; V156-I159 PolarHBondContact O-N 2.95Å; V156-V160 HydrophobicContact CG1-CG2 4.33Å; V156-V160 WeakPolarHBondContact O-CB 3.49Å; V156-V160 VanDerWaalsContact O-CG2 3.27Å; V156-V160 WeakPolarHBondContact O-CG2 3.49Å; V156-V160 PolarHBondContact O-N 3.49Å |
| 157 | E | 96.8 | Very high | 94.7 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59 | -48.1 | 175.4 | -178.6 | -176.6 | 168.2 | 0 | 0 | 112 | L153 A154 V155 I159 V160 L161 I346 H347 L423 | L153-E157 WeakPolarHBondContact O-CB 3.42Å; L153-E157 PolarHBondContact O-N 2.85Å; A154-E157 PolarHBondContact O-N 3.01Å; V155-E157 VanDerWaalsContact C-N 3.3Å; V155-E157 PolarHBondContact O-N 2.85Å; E157-I159 PolarHBondContact O-N 3.44Å; E157-V160 PolarHBondContact O-N 3.06Å; E157-L161 HydrophobicContact CG-CD1 4.12Å; E157-L161 WeakPolarHBondContact O-CB 3.4Å; E157-L161 VanDerWaalsContact O-CG 3.31Å; E157-L161 WeakPolarHBondContact O-CG 3.22Å; E157-L161 PolarHBondContact O-N 3.36Å; E157-I346 WeakPolarHBondContact OE1-CB 3.45Å; E157-I346 WeakPolarHBondContact OE1-CG2 3.34Å; E157-H347 PolarHBondContact OE1-N 2.73Å; E157-H347 WeakPolarHBondContact OE2-CB 3.48Å; E157-H347 IonicContact OE2-CG 3.96Å; E157-H347 IonicContact OE2-ND1 3.91Å; E157-H347 PolarHBondContact OE2-ND1 3.25Å; E157-L423 HydrophobicContact CG-CD1 4.46Å |
| 158 | G | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A154 V155 L161 V162 V427 | A154-G158 PolarHBondContact O-N 3.44Å; V155-G158 PolarHBondContact O-N 3.05Å; G158-L161 PolarHBondContact O-N 2.88Å; G158-V162 WeakPolarHBondContact O-CG1 2.78Å; G158-V162 PolarHBondContact O-N 3Å; G158-V427 WeakPolarHBondContact O-CG2 3.46Å |
| 159 | I | 95.7 | Very high | 94 | Very high | 18 Ų | 18 | 39.9 Ų | 39.9 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 177.3 | -69.7 | 170.9 | 0 | 0 | 0 | 111.1 | V155 V156 E157 L161 V162 M163 A426 L430 V445 | V155-I159 HydrophobicContact CG1-CD1 3.8Å; V155-I159 HydrophobicContact CG1-CG1 4.46Å; V155-I159 VanDerWaalsContact O-CG1 3.28Å; V155-I159 WeakPolarHBondContact O-CG1 3.27Å; V155-I159 PolarHBondContact O-N 3.46Å; V156-I159 PolarHBondContact O-N 2.95Å; E157-I159 PolarHBondContact O-N 3.44Å; I159-L161 VanDerWaalsContact C-N 3.3Å; I159-L161 PolarHBondContact O-N 3.03Å; I159-V162 WeakPolarHBondContact O-CG1 3.33Å; I159-V162 PolarHBondContact O-N 3.29Å; I159-M163 HydrophobicContact CG2-CG 4.24Å; I159-M163 VanDerWaalsContact O-CB 3.27Å; I159-M163 WeakPolarHBondContact O-CB 3.4Å; I159-M163 WeakPolarHBondContact O-CG 3.4Å; I159-M163 PolarHBondContact O-N 3.05Å; I159-A426 HydrophobicContact CG1-CB 4.19Å; I159-L430 HydrophobicContact CB-CD1 4.37Å; I159-L430 HydrophobicContact CG1-CD1 3.87Å; I159-L430 HydrophobicContact CG2-CD1 4.32Å; I159-V445 HydrophobicContact CD1-CG1 4.13Å; I159-V445 HydrophobicContact CG2-CG1 3.45Å; I159-V445 VanDerWaalsContact CG2-CG1 3.45Å |
| 160 | V | 95.5 | Very high | 93.5 | Very high | 80 Ų | 80 | 43.3 Ų | 43.3 | 49% | 0.485 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.1 | -43.7 | 179 | 169 | 0 | 0 | 0 | 0 | 110.3 | V156 E157 T164 | V156-V160 HydrophobicContact CG1-CG2 4.33Å; V156-V160 WeakPolarHBondContact O-CB 3.49Å; V156-V160 VanDerWaalsContact O-CG2 3.27Å; V156-V160 WeakPolarHBondContact O-CG2 3.49Å; V156-V160 PolarHBondContact O-N 3.49Å; E157-V160 PolarHBondContact O-N 3.06Å; V160-T164 HydrophobicContact CG1-CG2 4.39Å; V160-T164 WeakPolarHBondContact O-CB 3.34Å; V160-T164 WeakPolarHBondContact O-CG2 3.49Å; V160-T164 PolarHBondContact O-N 3.41Å; V160-T164 PolarHBondContact O-OG1 3.36Å |
| 161 | L | 96.8 | Very high | 92.3 | Very high | 25 Ų | 25 | 44.2 Ų | 44.2 | 13% | 0.131 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.8 | -44.9 | -180 | -72.8 | 170.5 | 0 | 0 | 0 | 112.9 | E157 G158 I159 M163 T164 I165 T339 I346 | E157-L161 HydrophobicContact CG-CD1 4.12Å; E157-L161 WeakPolarHBondContact O-CB 3.4Å; E157-L161 VanDerWaalsContact O-CG 3.31Å; E157-L161 WeakPolarHBondContact O-CG 3.22Å; E157-L161 PolarHBondContact O-N 3.36Å; G158-L161 PolarHBondContact O-N 2.88Å; I159-L161 VanDerWaalsContact C-N 3.3Å; I159-L161 PolarHBondContact O-N 3.03Å; L161-M163 VanDerWaalsContact C-N 3.34Å; L161-M163 PolarHBondContact O-N 3.26Å; L161-T164 WeakPolarHBondContact CA-OG1 3.12Å; L161-T164 PolarHBondContact O-N 2.83Å; L161-T164 PolarHBondContact O-OG1 3.39Å; L161-T164 VanDerWaalsContact O-OG1 3.06Å; L161-I165 HydrophobicContact CD2-CD1 4.4Å; L161-I165 VanDerWaalsContact O-CB 3.31Å; L161-I165 WeakPolarHBondContact O-CB 3.47Å; L161-I165 WeakPolarHBondContact O-CG1 3.47Å; L161-I165 PolarHBondContact O-N 2.72Å; L161-T339 HydrophobicContact CB-CG2 4.05Å; L161-I346 HydrophobicContact CD1-CD1 4.25Å; L161-I346 HydrophobicContact CD2-CD1 4.22Å |
| 162 | V | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.2 | -32.1 | 179.8 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | G158 I159 R166 P167 T339 V427 L430 Q434 | G158-V162 WeakPolarHBondContact O-CG1 2.78Å; G158-V162 PolarHBondContact O-N 3Å; I159-V162 WeakPolarHBondContact O-CG1 3.33Å; I159-V162 PolarHBondContact O-N 3.29Å; V162-R166 VanDerWaalsContact O-CA 3.31Å; V162-R166 WeakPolarHBondContact O-CA 3.24Å; V162-R166 PolarHBondContact O-N 3.44Å; V162-P167 HydrophobicContact CG2-CG 3.84Å; V162-P167 WeakPolarHBondContact O-CD 3.45Å; V162-T339 HydrophobicContact CB-CG2 4.06Å; V162-V427 HydrophobicContact CB-CG1 4.23Å; V162-V427 HydrophobicContact CB-CG2 4.42Å; V162-V427 HydrophobicContact CG2-CG1 4.22Å; V162-L430 HydrophobicContact CG1-CB 3.67Å; V162-L430 HydrophobicContact CG1-CD1 3.44Å; V162-L430 VanDerWaalsContact CG1-CD1 3.44Å; V162-L430 HydrophobicContact CG1-CG 4.19Å; V162-L430 HydrophobicContact CG2-CB 4.02Å; V162-Q434 PolarHBondContact O-NE2 3.41Å |
| 163 | M | 93.1 | Very high | 89.3 | Confident | 62 Ų | 62 | 52.1 Ų | 52.1 | 31% | 0.305 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -73.5 | -30.4 | 175.4 | -69.5 | -67.3 | 169.9 | 0 | 0 | 112.9 | I159 L161 R166 L430 L440 V445 | I159-M163 HydrophobicContact CG2-CG 4.24Å; I159-M163 VanDerWaalsContact O-CB 3.27Å; I159-M163 WeakPolarHBondContact O-CB 3.4Å; I159-M163 WeakPolarHBondContact O-CG 3.4Å; I159-M163 PolarHBondContact O-N 3.05Å; L161-M163 VanDerWaalsContact C-N 3.34Å; L161-M163 PolarHBondContact O-N 3.26Å; M163-R166 VanDerWaalsContact O-CG 3.23Å; M163-R166 WeakPolarHBondContact O-CG 3.4Å; M163-L430 HydrophobicContact CE-CD1 3.73Å; M163-L430 HydrophobicContact CE-CD2 3.76Å; M163-L430 HydrophobicContact CE-CG 4.21Å; M163-L440 HydrophobicContact CE-CB 4.18Å; M163-L440 HydrophobicContact CE-CD1 3.74Å; M163-L440 HydrophobicContact CE-CG 4.48Å; M163-L440 HydrophobicContact SD-CD1 4.43Å; M163-V445 HydrophobicContact CE-CG2 3.47Å; M163-V445 VanDerWaalsContact CE-CG2 3.47Å |
| 164 | T | 93.5 | Very high | 87.5 | Confident | 97 Ų | 97 | 52.8 Ų | 52.8 | 60% | 0.595 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -85 | -45.3 | 179.4 | 50.3 | 0 | 0 | 0 | 0 | 112.7 | V160 L161 | V160-T164 HydrophobicContact CG1-CG2 4.39Å; V160-T164 WeakPolarHBondContact O-CB 3.34Å; V160-T164 WeakPolarHBondContact O-CG2 3.49Å; V160-T164 PolarHBondContact O-N 3.41Å; V160-T164 PolarHBondContact O-OG1 3.36Å; L161-T164 WeakPolarHBondContact CA-OG1 3.12Å; L161-T164 PolarHBondContact O-N 2.83Å; L161-T164 PolarHBondContact O-OG1 3.39Å; L161-T164 VanDerWaalsContact O-OG1 3.06Å |
| 165 | I | 93.7 | Very high | 85.6 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 24% | 0.241 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -75.1 | -32.4 | -179.9 | -63.5 | 172.1 | 0 | 0 | 0 | 111 | L161 P167 W170 T339 | L161-I165 HydrophobicContact CD2-CD1 4.4Å; L161-I165 VanDerWaalsContact O-CB 3.31Å; L161-I165 WeakPolarHBondContact O-CB 3.47Å; L161-I165 WeakPolarHBondContact O-CG1 3.47Å; L161-I165 PolarHBondContact O-N 2.72Å; I165-P167 HydrophobicContact CG2-CB 4.49Å; I165-W170 HydrophobicContact CG2-CH2 3.9Å; I165-W170 HydrophobicContact CG2-CZ2 3.69Å; I165-T339 HydrophobicContact CD1-CG2 4.28Å |
| 166 | R | 92 | Very high | 83.7 | Confident | 130 Ų | 130 | 59.4 Ų | 59.4 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | trans | 48.7 | 56.9 | -175.1 | -60.7 | -177.6 | 55.3 | 142.4 | 4.4 | 112.8 | V162 M163 G168 D169 | V162-R166 VanDerWaalsContact O-CA 3.31Å; V162-R166 WeakPolarHBondContact O-CA 3.24Å; V162-R166 PolarHBondContact O-N 3.44Å; M163-R166 VanDerWaalsContact O-CG 3.23Å; M163-R166 WeakPolarHBondContact O-CG 3.4Å; R166-G168 PolarHBondContact O-N 2.96Å; R166-G168 VanDerWaalsContact O-N 3.13Å; R166-D169 WeakPolarHBondContact CB-OD2 3.33Å; R166-D169 IonicContact CZ-OD2 2.76Å; R166-D169 VanDerWaalsContact CZ-OD2 3.3Å; R166-D169 IonicContact NE-OD2 3.24Å; R166-D169 PolarHBondContact NE-OD2 3.24Å; R166-D169 IonicContact NH2-OD1 3.6Å; R166-D169 IonicContact NH2-OD2 3.53Å; R166-D169 PolarHBondContact NH2-OD2 2.95Å; R166-D169 VanDerWaalsContact NH2-OD2 3.09Å; R166-D169 PolarHBondContact O-N 3.19Å; R166-D169 VanDerWaalsContact O-N 3.14Å | ||
| 167 | P | 90.9 | Very high | 81.6 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.006 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -62 | -22.6 | -175.4 | 26.6 | -35.7 | 0 | 0 | 0 | 113.9 | V162 I165 D169 W170 G335 T339 Y431 | V162-P167 HydrophobicContact CG2-CG 3.84Å; V162-P167 WeakPolarHBondContact O-CD 3.45Å; I165-P167 HydrophobicContact CG2-CB 4.49Å; P167-D169 PolarHBondContact O-N 3.44Å; P167-W170 WeakPolarHBondContact O-CB 3.33Å; P167-W170 PolarHBondContact O-N 3.38Å; P167-W170 VanDerWaalsContact O-N 3.16Å; P167-G335 VanDerWaalsContact CB-C 3.41Å; P167-T339 HydrophobicContact CG-CG2 4.44Å; P167-T339 WeakPolarHBondContact CG-OG1 3.42Å; P167-Y431 HydrophobicContact CB-CD2 3.99Å; P167-Y431 HydrophobicContact CB-CE2 4.37Å; P167-Y431 HydrophobicContact CG-CD2 3.93Å |
| 168 | G | 87.7 | Confident | 79.5 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 3% | 0.031 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -68.2 | -20.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | R166 W170 S171 Q434 T435 | R166-G168 PolarHBondContact O-N 2.96Å; R166-G168 VanDerWaalsContact O-N 3.13Å; G168-W170 PolarHBondContact O-N 3.04Å; G168-S171 PolarHBondContact O-OG 2.81Å; G168-Q434 VanDerWaalsContact N-OE1 3.15Å; G168-T435 WeakPolarHBondContact CA-OG1 3.01Å |
| 169 | D | 84.6 | Confident | 77.2 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 37% | 0.374 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -72.9 | -15.8 | 174.7 | -65.1 | -28 | 0 | 0 | 0 | 111.8 | R166 P167 | R166-D169 WeakPolarHBondContact CB-OD2 3.33Å; R166-D169 IonicContact CZ-OD2 2.76Å; R166-D169 VanDerWaalsContact CZ-OD2 3.3Å; R166-D169 IonicContact NE-OD2 3.24Å; R166-D169 PolarHBondContact NE-OD2 3.24Å; R166-D169 IonicContact NH2-OD1 3.6Å; R166-D169 IonicContact NH2-OD2 3.53Å; R166-D169 PolarHBondContact NH2-OD2 2.95Å; R166-D169 VanDerWaalsContact NH2-OD2 3.09Å; R166-D169 PolarHBondContact O-N 3.19Å; R166-D169 VanDerWaalsContact O-N 3.14Å; P167-D169 PolarHBondContact O-N 3.44Å |
| 170 | W | 83 | Confident | 75.1 | Confident | 132 Ų | 132 | 75.8 Ų | 75.8 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -86.3 | -14.1 | -175.3 | -56.3 | 6.1 | 0 | 0 | 0 | 112.5 | I165 P167 G168 H172 | I165-W170 HydrophobicContact CG2-CH2 3.9Å; I165-W170 HydrophobicContact CG2-CZ2 3.69Å; P167-W170 WeakPolarHBondContact O-CB 3.33Å; P167-W170 PolarHBondContact O-N 3.38Å; P167-W170 VanDerWaalsContact O-N 3.16Å; G168-W170 PolarHBondContact O-N 3.04Å; W170-H172 PolarHBondContact O-N 2.94Å |
| 171 | S | 72.3 | Confident | 73.1 | Confident | 20 Ų | 20 | 72.9 Ų | 72.9 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | trans | -90.4 | 101.4 | 178.3 | 38.3 | 0 | 0 | 0 | 0 | 111.1 | G168 T435 | G168-S171 PolarHBondContact O-OG 2.81Å; S171-T435 WeakPolarHBondContact OG-CG2 3.42Å; S171-T435 PolarHBondContact OG-OG1 3.25Å | ||
| 172 | H | 63 | Low | 71 | Confident | 154 Ų | 154 | 80.4 Ų | 80.4 | 71% | 0.713 | 41% | 0.414 | S | S | * | . | trans | -94.5 | -16.6 | 179.9 | -77.3 | -74.3 | 0 | 0 | 0 | 115.1 | W170 | W170-H172 PolarHBondContact O-N 2.94Š| ||
| 173 | D | 60.9 | Low | 69.1 | Low | 107 Ų | 107 | 84.7 Ų | 84.7 | 57% | 0.572 | 44% | 0.444 | S | S | * | . | trans | -114.8 | 99.3 | -179.7 | -75 | -15.6 | 0 | 0 | 0 | 111.4 | R332 | D173-R332 IonicContact OD2-NH2 3.25Å; D173-R332 PolarHBondContact OD2-NH2 2.9Å | ||
| 174 | F | 58.2 | Low | 67.7 | Low | 84 Ų | 84 | 82.8 Ų | 82.8 | 37% | 0.368 | 44% | 0.439 | S | S | . | . | trans | -99.5 | 95.6 | 179.1 | -146.8 | -90.4 | 0 | 0 | 0 | 110.3 | V176 T435 L436 Y483 L486 | F174-V176 HydrophobicContact CD1-CG2 4.37Å; F174-V176 HydrophobicContact CE1-CG2 3.76Å; F174-T435 HydrophobicContact CD2-CG2 3.34Å; F174-T435 HydrophobicContact CE2-CG2 3.22Å; F174-T435 HydrophobicContact CZ-CG2 4.44Å; F174-L436 HydrophobicContact CE1-CD2 4.15Å; F174-L436 HydrophobicContact CZ-CD2 3.92Å; F174-Y483 AromaticContact CE1-CD1 3.65Å; F174-Y483 HydrophobicContact CE1-CD1 3.65Å; F174-Y483 AromaticContact CE1-CE1 3.47Å; F174-Y483 HydrophobicContact CE1-CE1 3.47Å; F174-Y483 VanDerWaalsContact CE1-CE1 3.47Å; F174-Y483 AromaticContact CZ-CD1 3.58Å; F174-Y483 HydrophobicContact CZ-CD1 3.58Å; F174-Y483 AromaticContact CZ-CE1 3.84Å; F174-Y483 HydrophobicContact CZ-CE1 3.84Å; F174-L486 HydrophobicContact CE2-CD2 3.87Å; F174-L486 HydrophobicContact CZ-CD2 4.32Å | ||
| 175 | S | 55.7 | Low | 66.7 | Low | 83 Ų | 83 | 79.1 Ų | 79.1 | 58% | 0.58 | 42% | 0.416 | S | S | * | . | trans | -125.8 | 111.4 | 162.2 | 48 | 0 | 0 | 0 | 0 | 106.5 | S177 | S175-S177 PolarHBondContact O-N 3.23Š| ||
| 176 | V | 55.9 | Low | 66.1 | Low | 55 Ų | 55 | 78.1 Ų | 78.1 | 33% | 0.333 | 41% | 0.413 | S | S | . | . | trans | -66.8 | 114.9 | 166 | -179 | 0 | 0 | 0 | 0 | 104.6 | F174 E178 Y483 | F174-V176 HydrophobicContact CD1-CG2 4.37Å; F174-V176 HydrophobicContact CE1-CG2 3.76Å; V176-E178 PolarHBondContact O-N 3.44Å; V176-E178 VanDerWaalsContact O-N 3.11Å; V176-Y483 HydrophobicContact CG2-CD1 4.07Å; V176-Y483 HydrophobicContact CG2-CE1 4.11Å | ||
| 177 | S | 52.5 | Low | 65.6 | Low | 65 Ų | 65 | 72.1 Ų | 72.1 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | trans | -53.8 | 120 | 163.4 | 47.5 | 0 | 0 | 0 | 0 | 106.9 | S175 E179 | S175-S177 PolarHBondContact O-N 3.23Å; S177-E179 PolarHBondContact O-N 3.27Å | ||
| 178 | E | 50.9 | Low | 65.3 | Low | 178 Ų | 178 | 72.7 Ų | 72.7 | 83% | 0.832 | 40% | 0.395 | S | S | * | . | trans | -63.3 | 0.4 | 177.6 | -73.5 | -174.9 | 160.9 | 0 | 0 | 113.3 | V176 A180 Q239 | V176-E178 PolarHBondContact O-N 3.44Å; V176-E178 VanDerWaalsContact O-N 3.11Å; E178-A180 PolarHBondContact O-N 3.17Å; E178-Q239 PolarHBondContact O-NE2 3.01Å; E178-Q239 VanDerWaalsContact O-NE2 3.15Å | ||
| 179 | E | 50.6 | Low | 65.2 | Low | 161 Ų | 161 | 75.1 Ų | 75.1 | 75% | 0.752 | 41% | 0.407 | S | S | * | . | trans | -60.8 | 97.7 | 171 | -68.6 | -176.4 | -177.1 | 0 | 0 | 109.5 | S177 | S177-E179 PolarHBondContact O-N 3.27Š| ||
| 180 | A | 51.7 | Low | 65.2 | Low | 37 Ų | 37 | 72.9 Ų | 72.9 | 31% | 0.306 | 40% | 0.398 | S | S | . | . | trans | -56.2 | 144.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | E178 D182 E235 | E178-A180 PolarHBondContact O-N 3.17Å; A180-D182 PolarHBondContact O-N 3.36Å; A180-E235 HydrophobicContact CB-CB 4.39Å | ||
| 181 | P | 53 | Low | 65.4 | Low | 20 Ų | 20 | 71.2 Ų | 71.2 | 13% | 0.13 | 40% | 0.402 | C | S | . | . | trans | -54.5 | 140.9 | 170.6 | -8.7 | 17.1 | 0 | 0 | 0 | 109.9 | S183 F484 I485 M488 | P181-S183 PolarHBondContact O-N 3.11Å; P181-F484 HydrophobicContact CG-CE1 4.11Å; P181-F484 HydrophobicContact CG-CE2 4.48Å; P181-F484 HydrophobicContact CG-CZ 3.52Å; P181-I485 HydrophobicContact CG-CD1 4.46Å; P181-I485 HydrophobicContact CG-CG1 4.46Å; P181-M488 HydrophobicContact CB-CE 3.98Å; P181-M488 HydrophobicContact CG-CE 3.89Å | ||
| 182 | D | 52.1 | Low | 66.2 | Low | 182 Ų | 182 | 71.3 Ų | 71.3 | 97% | 0.973 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -54.2 | -19.9 | 176.5 | -74.7 | -32.9 | 0 | 0 | 0 | 113.3 | A180 | A180-D182 PolarHBondContact O-N 3.36Š|
| 183 | S | 56.3 | Low | 67.2 | Low | 90 Ų | 90 | 64.7 Ų | 64.7 | 63% | 0.629 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -145.8 | 124.7 | 171.2 | 60.6 | 0 | 0 | 0 | 0 | 110.5 | P181 | P181-S183 PolarHBondContact O-N 3.11Š|
| 184 | A | 62.2 | Low | 68.5 | Low | 23 Ų | 23 | 63 Ų | 63 | 19% | 0.19 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 131.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T234 E235 M238 | A184-T234 HydrophobicContact CB-CG2 3.74Å; A184-E235 HydrophobicContact CB-CB 4.38Å; A184-E235 HydrophobicContact CB-CG 3.66Å; A184-E235 WeakPolarHBondContact CB-OE1 3.39Å; A184-E235 PolarHBondContact N-OE1 3.38Å; A184-M238 HydrophobicContact CB-CE 4.34Å; A184-M238 HydrophobicContact CB-SD 4.26Å |
| 185 | P | 74.2 | Confident | 70 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 12% | 0.123 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 153.2 | 170.2 | 20 | -27.1 | 0 | 0 | 0 | 112 | L187 M238 V468 L471 F484 | P185-L187 PolarHBondContact O-N 2.85Å; P185-M238 HydrophobicContact CB-CE 4.41Å; P185-M238 HydrophobicContact CG-CE 3.53Å; P185-M238 HydrophobicContact CG-SD 4.13Å; P185-M238 WeakPolarHBondContact O-CE 3.5Å; P185-V468 HydrophobicContact CB-CG2 4.08Å; P185-L471 HydrophobicContact CB-CD1 3.71Å; P185-L471 HydrophobicContact CG-CD1 3.51Å; P185-F484 HydrophobicContact CG-CE1 4.3Å; P185-F484 HydrophobicContact CG-CE2 4.17Å; P185-F484 HydrophobicContact CG-CZ 3.7Å |
| 186 | C | 80 | Confident | 71.6 | Confident | 27 Ų | 27 | 59 Ų | 59 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 128.2 | 172.8 | 176.3 | 0 | 0 | 0 | 0 | 109.6 | T216 C217 V468 | C186-T216 PolarHBondContact SG-O 2.93Å; C186-T216 VanDerWaalsContact SG-O 3.32Å; C186-C217 HydrophobicContact CB-CB 4.17Å; C186-C217 WeakPolarHBondContact CB-SG 3.27Å; C186-C217 WeakPolarHBondContact SG-CA 3.43Å; C186-C217 WeakPolarHBondContact SG-CB 3.43Å; C186-C217 CovalentContact SG-SG 2.03Å; C186-C217 PolarHBondContact SG-SG 3.37Å; C186-V468 HydrophobicContact CB-CG1 4.25Å |
| 187 | L | 82.9 | Confident | 73.2 | Confident | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -97 | 126.3 | 174.3 | -157.1 | 73.8 | 0 | 0 | 0 | 110.4 | P185 C217 M218 F220 L471 I475 T481 | P185-L187 PolarHBondContact O-N 2.85Å; L187-C217 WeakPolarHBondContact O-CA 3.16Å; L187-M218 PolarHBondContact O-N 3.02Å; L187-F220 HydrophobicContact CD2-CE2 4.44Å; L187-F220 HydrophobicContact CD2-CZ 3.74Å; L187-L471 HydrophobicContact CD1-CB 3.96Å; L187-L471 HydrophobicContact CD1-CD1 4.06Å; L187-I475 HydrophobicContact CD1-CD1 3.45Å; L187-I475 VanDerWaalsContact CD1-CD1 3.45Å; L187-I475 HydrophobicContact CD1-CG1 4.39Å; L187-I475 HydrophobicContact CD2-CD1 3.92Å; L187-I475 HydrophobicContact CG-CD1 3.54Å; L187-T481 HydrophobicContact CD1-CG2 3.71Å |
| 188 | S | 83.6 | Confident | 75 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 8% | 0.084 | 34% | 0.337 | C | S | . | . | trans | -143.4 | 151.1 | 177.8 | 64 | 0 | 0 | 0 | 0 | 110.4 | T216 | S188-T216 WeakPolarHBondContact CB-O 3.33Š| ||
| 189 | N | 85.3 | Confident | 77 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | trans | -94.2 | 169 | 174.4 | -65.5 | -9.5 | 0 | 0 | 0 | 110.6 | V191 D192 T193 I475 | N189-V191 PolarHBondContact O-N 3.29Å; N189-D192 PolarHBondContact N-OD2 3.3Å; N189-D192 WeakPolarHBondContact O-CB 3.46Å; N189-D192 PolarHBondContact O-N 3.15Å; N189-T193 PolarHBondContact O-N 3.47Å; N189-T193 VanDerWaalsContact O-N 3.09Å; N189-T193 PolarHBondContact O-OG1 2.66Å; N189-I475 WeakPolarHBondContact OD1-CG2 3.33Å | ||
| 190 | A | 84.5 | Confident | 78.9 | Confident | 23 Ų | 23 | 49.5 Ų | 49.5 | 19% | 0.19 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.5 | -37.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T193 I194 M472 | A190-T193 PolarHBondContact O-N 3.31Å; A190-I194 WeakPolarHBondContact O-CG1 3.25Å; A190-I194 PolarHBondContact O-N 3.48Å; A190-I194 VanDerWaalsContact O-N 3.13Å; A190-M472 VanDerWaalsContact CA-SD 3.58Å; A190-M472 HydrophobicContact CB-CE 4.23Å; A190-M472 HydrophobicContact CB-CG 4.28Å; A190-M472 HydrophobicContact CB-SD 4.22Å |
| 191 | V | 87.7 | Confident | 80.8 | Confident | 97 Ų | 97 | 50.4 Ų | 50.4 | 59% | 0.588 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.4 | -43.1 | 176.5 | 180 | 0 | 0 | 0 | 0 | 111 | N189 T193 I194 L195 | N189-V191 PolarHBondContact O-N 3.29Å; V191-T193 VanDerWaalsContact C-N 3.32Å; V191-T193 PolarHBondContact O-N 2.87Å; V191-I194 PolarHBondContact O-N 3.21Å; V191-L195 HydrophobicContact CG1-CD1 4.08Å; V191-L195 HydrophobicContact CG1-CG 4.32Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.23Å; V191-L195 PolarHBondContact O-N 2.87Å |
| 192 | D | 88 | Confident | 82.8 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 178.7 | -59.8 | -47.8 | 0 | 0 | 0 | 111.3 | N189 I194 L195 D196 T216 M218 | N189-D192 PolarHBondContact N-OD2 3.3Å; N189-D192 WeakPolarHBondContact O-CB 3.46Å; N189-D192 PolarHBondContact O-N 3.15Å; D192-I194 VanDerWaalsContact C-N 3.34Å; D192-I194 PolarHBondContact O-N 3.29Å; D192-L195 CarbonylContact O-C 3.39Å; D192-L195 PolarHBondContact O-N 2.94Å; D192-D196 WeakPolarHBondContact O-CB 3.41Å; D192-D196 PolarHBondContact O-N 3.26Å; D192-T216 HydrophobicContact CB-CG2 4.19Å; D192-M218 WeakPolarHBondContact OD2-CE 3.45Å |
| 193 | T | 85 | Confident | 84.7 | Confident | 15 Ų | 15 | 47.5 Ų | 47.5 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -39 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 112 | N189 A190 V191 D196 L197 M472 | N189-T193 PolarHBondContact O-N 3.47Å; N189-T193 VanDerWaalsContact O-N 3.09Å; N189-T193 PolarHBondContact O-OG1 2.66Å; A190-T193 PolarHBondContact O-N 3.31Å; V191-T193 VanDerWaalsContact C-N 3.32Å; V191-T193 PolarHBondContact O-N 2.87Å; T193-D196 PolarHBondContact O-N 3.08Å; T193-L197 WeakPolarHBondContact O-CB 3.42Å; T193-L197 PolarHBondContact O-N 3.46Å; T193-M472 VanDerWaalsContact CB-SD 3.57Å; T193-M472 HydrophobicContact CG2-SD 3.94Å; T193-M472 PolarHBondContact OG1-SD 3.33Å |
| 194 | I | 87.6 | Confident | 86.4 | Confident | 73 Ų | 73 | 52.3 Ų | 52.3 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 173.6 | -67 | 166.7 | 0 | 0 | 0 | 110.7 | A190 V191 D192 D196 L197 I198 L454 | A190-I194 WeakPolarHBondContact O-CG1 3.25Å; A190-I194 PolarHBondContact O-N 3.48Å; A190-I194 VanDerWaalsContact O-N 3.13Å; V191-I194 PolarHBondContact O-N 3.21Å; D192-I194 VanDerWaalsContact C-N 3.34Å; D192-I194 PolarHBondContact O-N 3.29Å; I194-D196 VanDerWaalsContact C-N 3.32Å; I194-D196 PolarHBondContact O-N 3.29Å; I194-L197 WeakPolarHBondContact O-CB 3.32Å; I194-L197 PolarHBondContact O-N 3.28Å; I194-I198 HydrophobicContact CG2-CD1 4.49Å; I194-I198 WeakPolarHBondContact O-CG1 3.31Å; I194-I198 PolarHBondContact O-N 3.07Å; I194-I198 VanDerWaalsContact O-N 3.12Å; I194-L454 HydrophobicContact CD1-CD1 4.22Å; I194-L454 HydrophobicContact CD1-CD2 4.3Å; I194-L454 HydrophobicContact CG1-CD2 4.33Å |
| 195 | L | 91.2 | Very high | 87.9 | Confident | 72 Ų | 72 | 55 Ų | 55 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 177.1 | -67.6 | 175.9 | 0 | 0 | 0 | 111.4 | V191 D192 L197 I198 R199 | V191-L195 HydrophobicContact CG1-CD1 4.08Å; V191-L195 HydrophobicContact CG1-CG 4.32Å; V191-L195 VanDerWaalsContact O-CG 3.31Å; V191-L195 WeakPolarHBondContact O-CG 3.23Å; V191-L195 PolarHBondContact O-N 2.87Å; D192-L195 CarbonylContact O-C 3.39Å; D192-L195 PolarHBondContact O-N 2.94Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L195-I198 PolarHBondContact O-N 3.24Å; L195-R199 WeakPolarHBondContact O-CG 3.2Å; L195-R199 PolarHBondContact O-N 2.97Å |
| 196 | D | 88.5 | Confident | 88.8 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 6% | 0.059 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.7 | -35.9 | 174.4 | -71.8 | -19.1 | 0 | 0 | 0 | 111.7 | D192 T193 I194 I198 R199 N200 K215 T216 | D192-D196 WeakPolarHBondContact O-CB 3.41Å; D192-D196 PolarHBondContact O-N 3.26Å; T193-D196 PolarHBondContact O-N 3.08Å; I194-D196 VanDerWaalsContact C-N 3.32Å; I194-D196 PolarHBondContact O-N 3.29Å; D196-I198 VanDerWaalsContact C-N 3.3Å; D196-I198 PolarHBondContact O-N 3.49Å; D196-R199 PolarHBondContact O-N 3.33Å; D196-R199 IonicContact OD1-CZ 3.14Å; D196-R199 IonicContact OD1-NH1 3.5Å; D196-R199 PolarHBondContact OD1-NH1 3.24Å; D196-N200 VanDerWaalsContact O-CB 3.32Å; D196-N200 WeakPolarHBondContact O-CB 3.35Å; D196-N200 PolarHBondContact O-N 3.09Å; D196-N200 PolarHBondContact O-ND2 3.37Å; D196-K215 WeakPolarHBondContact OD2-CA 3.36Å; D196-T216 VanDerWaalsContact CG-N 3.32Å; D196-T216 WeakPolarHBondContact OD1-CB 3.46Å; D196-T216 PolarHBondContact OD1-N 3.39Å; D196-T216 PolarHBondContact OD1-OG1 3.35Å; D196-T216 PolarHBondContact OD2-N 2.82Å |
| 197 | L | 88.8 | Confident | 89.4 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 29% | 0.293 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 172.4 | -170.8 | 72.3 | 0 | 0 | 0 | 110.6 | T193 I194 L195 N200 L201 L263 I457 | T193-L197 WeakPolarHBondContact O-CB 3.42Å; T193-L197 PolarHBondContact O-N 3.46Å; I194-L197 WeakPolarHBondContact O-CB 3.32Å; I194-L197 PolarHBondContact O-N 3.28Å; L195-L197 VanDerWaalsContact C-N 3.33Å; L197-N200 PolarHBondContact O-N 3.33Å; L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 PolarHBondContact O-N 2.7Å; L197-L263 HydrophobicContact CD1-CD2 3.32Å; L197-L263 HydrophobicContact CG-CD2 4.03Å; L197-I457 HydrophobicContact CD1-CG2 3.91Å; L197-I457 HydrophobicContact CD2-CG2 3.74Å |
| 198 | I | 91.2 | Very high | 89.9 | Confident | 91 Ų | 91 | 62.6 Ų | 62.6 | 47% | 0.467 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -44.3 | 177.3 | -62.9 | 168.8 | 0 | 0 | 0 | 111.2 | I194 L195 D196 N200 L201 L202 | I194-I198 HydrophobicContact CG2-CD1 4.49Å; I194-I198 WeakPolarHBondContact O-CG1 3.31Å; I194-I198 PolarHBondContact O-N 3.07Å; I194-I198 VanDerWaalsContact O-N 3.12Å; L195-I198 PolarHBondContact O-N 3.24Å; D196-I198 VanDerWaalsContact C-N 3.3Å; D196-I198 PolarHBondContact O-N 3.49Å; I198-N200 VanDerWaalsContact C-N 3.3Å; I198-N200 PolarHBondContact O-N 3.28Å; I198-L201 WeakPolarHBondContact O-CB 3.02Å; I198-L201 PolarHBondContact O-N 3.25Å; I198-L202 PolarHBondContact O-N 3.26Å |
| 199 | R | 92.2 | Very high | 90.4 | Very high | 91 Ų | 91 | 62.1 Ų | 62.1 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 176.2 | -71 | 176.1 | -170.4 | 122.9 | -3.7 | 112 | L195 D196 L202 V214 T216 | L195-R199 WeakPolarHBondContact O-CG 3.2Å; L195-R199 PolarHBondContact O-N 2.97Å; D196-R199 PolarHBondContact O-N 3.33Å; D196-R199 IonicContact OD1-CZ 3.14Å; D196-R199 IonicContact OD1-NH1 3.5Å; D196-R199 PolarHBondContact OD1-NH1 3.24Å; R199-L202 CarbonylContact O-C 3.56Å; R199-L202 VanDerWaalsContact O-O 3.07Å; R199-V214 HydrophobicContact CB-CG1 4.48Å; R199-T216 PolarHBondContact NH1-OG1 3.44Å |
| 200 | N | 91.4 | Very high | 90.7 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 11% | 0.107 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -75.3 | -32.3 | 176.1 | -74.5 | -61.7 | 0 | 0 | 0 | 111.7 | D196 L197 I198 L202 V214 N261 G264 | D196-N200 VanDerWaalsContact O-CB 3.32Å; D196-N200 WeakPolarHBondContact O-CB 3.35Å; D196-N200 PolarHBondContact O-N 3.09Å; D196-N200 PolarHBondContact O-ND2 3.37Å; L197-N200 PolarHBondContact O-N 3.33Å; I198-N200 VanDerWaalsContact C-N 3.3Å; I198-N200 PolarHBondContact O-N 3.28Å; N200-L202 VanDerWaalsContact C-N 3.29Å; N200-L202 PolarHBondContact O-N 2.7Å; N200-V214 PolarHBondContact ND2-O 3.46Å; N200-V214 PolarHBondContact OD1-N 3.45Å; N200-N261 WeakPolarHBondContact CA-ND2 3.38Å; N200-N261 WeakPolarHBondContact CB-OD1 3.4Å; N200-N261 PolarHBondContact O-ND2 3.4Å; N200-N261 PolarHBondContact O-OD1 3.13Å; N200-G264 WeakPolarHBondContact O-CA 3.47Å; N200-G264 PolarHBondContact O-N 2.98Å; N200-G264 VanDerWaalsContact O-N 3.12Å |
| 201 | L | 91.9 | Very high | 91 | Very high | 57 Ų | 57 | 67.1 Ų | 67.1 | 30% | 0.298 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 173.2 | -170.2 | 72.7 | 0 | 0 | 0 | 111.6 | L197 I198 P203 L263 F267 | L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.42Å; L197-L201 PolarHBondContact O-N 2.7Å; I198-L201 WeakPolarHBondContact O-CB 3.02Å; I198-L201 PolarHBondContact O-N 3.25Å; L201-P203 VanDerWaalsContact O-CD 3.29Å; L201-P203 WeakPolarHBondContact O-CD 3.18Å; L201-L263 HydrophobicContact CB-CD2 4.39Å; L201-L263 HydrophobicContact CD1-CD1 4.01Å; L201-L263 HydrophobicContact CD1-CD2 4.35Å; L201-L263 HydrophobicContact CD1-CG 3.95Å; L201-F267 HydrophobicContact CD1-CB 3.69Å; L201-F267 HydrophobicContact CD1-CD2 3.72Å; L201-F267 HydrophobicContact CD1-CG 3.83Å; L201-F267 HydrophobicContact CD2-CD2 4.34Å; L201-F267 HydrophobicContact CD2-CE2 4.49Å; L201-F267 HydrophobicContact CG-CB 4.22Å; L201-F267 HydrophobicContact CG-CD2 3.89Å; L201-F267 HydrophobicContact CG-CE2 4.42Å; L201-F267 HydrophobicContact CG-CG 3.94Å; L201-F267 VanDerWaalsContact O-CD1 3.26Å; L201-F267 WeakPolarHBondContact O-CD1 3.37Å |
| 202 | L | 93.9 | Very high | 91.2 | Very high | 103 Ų | 103 | 63 Ų | 63 | 54% | 0.539 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -116.4 | 74.2 | 179.3 | -61.9 | 176.9 | 0 | 0 | 0 | 110.9 | I198 R199 N200 F267 | I198-L202 PolarHBondContact O-N 3.26Å; R199-L202 CarbonylContact O-C 3.56Å; R199-L202 VanDerWaalsContact O-O 3.07Å; N200-L202 VanDerWaalsContact C-N 3.29Å; N200-L202 PolarHBondContact O-N 2.7Å; L202-F267 HydrophobicContact CD2-CD1 3.87Å; L202-F267 HydrophobicContact CD2-CE1 3.27Å; L202-F267 HydrophobicContact CD2-CZ 3.83Å |
| 203 | P | 91.8 | Very high | 91.2 | Very high | 38 Ų | 38 | 62.8 Ų | 62.8 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | trans | -65.4 | 144 | -178.2 | 27.6 | -34 | 0 | 0 | 0 | 111.8 | L201 N205 A209 | L201-P203 VanDerWaalsContact O-CD 3.29Å; L201-P203 WeakPolarHBondContact O-CD 3.18Å; P203-N205 VanDerWaalsContact C-N 3.27Å; P203-N205 PolarHBondContact O-N 3.18Å; P203-A209 HydrophobicContact CB-CB 3.89Å; P203-A209 HydrophobicContact CG-CB 4.07Å | ||
| 204 | E | 91.5 | Very high | 91.4 | Very high | 191 Ų | 191 | 63.4 Ų | 63.4 | 89% | 0.893 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -63.5 | -34.7 | 177.4 | -61.6 | -178.3 | -173.4 | 0 | 0 | 112.1 | ||
| 205 | N | 93.9 | Very high | 91.3 | Very high | 78 Ų | 78 | 62.8 Ų | 62.8 | 42% | 0.417 | 32% | 0.318 | S | S | . | . | trans | -141.5 | 130.5 | -178.9 | -170.2 | -68.1 | 0 | 0 | 0 | 111.4 | P203 V207 E208 A209 | P203-N205 VanDerWaalsContact C-N 3.27Å; P203-N205 PolarHBondContact O-N 3.18Å; N205-V207 VanDerWaalsContact C-N 3.34Å; N205-V207 PolarHBondContact O-N 3.47Å; N205-V207 WeakPolarHBondContact OD1-CA 3.08Å; N205-V207 WeakPolarHBondContact OD1-CB 3.34Å; N205-V207 PolarHBondContact OD1-N 3.31Å; N205-E208 HydrophobicContact CB-CB 3.9Å; N205-E208 PolarHBondContact O-N 3.31Å; N205-E208 PolarHBondContact OD1-N 2.96Å; N205-A209 PolarHBondContact O-N 3.48Å | ||
| 206 | L | 93.3 | Very high | 91.2 | Very high | 60 Ų | 60 | 59.4 Ų | 59.4 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 179.7 | -174.2 | 65.9 | 0 | 0 | 0 | 112.6 | A209 C210 L265 F268 F269 | L206-A209 PolarHBondContact O-N 3.42Å; L206-C210 PolarHBondContact O-N 2.82Å; L206-C210 PolarHBondContact O-SG 3.33Å; L206-L265 HydrophobicContact CD1-CD2 3.78Å; L206-F268 HydrophobicContact CD1-CB 4.26Å; L206-F268 HydrophobicContact CD1-CD1 3.56Å; L206-F268 HydrophobicContact CD1-CD2 4.49Å; L206-F268 HydrophobicContact CD1-CE1 4.01Å; L206-F268 HydrophobicContact CD1-CG 3.84Å; L206-F268 HydrophobicContact CD2-CD1 3.96Å; L206-F268 HydrophobicContact CD2-CE1 3.49Å; L206-F268 VanDerWaalsContact CD2-CE1 3.49Å; L206-F268 HydrophobicContact CD2-CZ 3.88Å; L206-F268 HydrophobicContact CG-CD1 4.41Å; L206-F268 HydrophobicContact CG-CE1 4.39Å; L206-F269 HydrophobicContact CD1-CE2 4Å; L206-F269 HydrophobicContact CD1-CZ 4.49Å; L206-F269 HydrophobicContact CD2-CE2 4.45Å; L206-F269 HydrophobicContact CD2-CZ 4.13Å |
| 207 | V | 93.9 | Very high | 91.2 | Very high | 103 Ų | 103 | 59.2 Ų | 59.2 | 62% | 0.624 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -68.7 | -38.6 | 178.5 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | N205 C210 Y211 | N205-V207 VanDerWaalsContact C-N 3.34Å; N205-V207 PolarHBondContact O-N 3.47Å; N205-V207 WeakPolarHBondContact OD1-CA 3.08Å; N205-V207 WeakPolarHBondContact OD1-CB 3.34Å; N205-V207 PolarHBondContact OD1-N 3.31Å; V207-C210 VanDerWaalsContact O-CB 3.32Å; V207-C210 WeakPolarHBondContact O-CB 3.49Å; V207-C210 PolarHBondContact O-N 2.8Å; V207-Y211 WeakPolarHBondContact O-CD1 3.43Å; V207-Y211 VanDerWaalsContact O-CE1 3.26Å; V207-Y211 WeakPolarHBondContact O-CE1 3.36Å |
| 208 | E | 93.2 | Very high | 91.2 | Very high | 47 Ų | 47 | 57.4 Ų | 57.4 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 173.8 | -172.4 | 177.2 | 174.7 | 0 | 0 | 112 | N205 C210 Y211 S212 | N205-E208 HydrophobicContact CB-CB 3.9Å; N205-E208 PolarHBondContact O-N 3.31Å; N205-E208 PolarHBondContact OD1-N 2.96Å; E208-C210 PolarHBondContact O-N 3.31Å; E208-Y211 HydrophobicContact CB-CE1 4.47Å; E208-Y211 PolarHBondContact O-N 2.8Å; E208-S212 PolarHBondContact O-N 2.78Å |
| 209 | A | 93.3 | Very high | 91 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 3% | 0.025 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.3 | -25.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P203 N205 L206 Y211 N261 L265 | P203-A209 HydrophobicContact CB-CB 3.89Å; P203-A209 HydrophobicContact CG-CB 4.07Å; N205-A209 PolarHBondContact O-N 3.48Å; L206-A209 PolarHBondContact O-N 3.42Å; A209-Y211 VanDerWaalsContact C-N 3.28Å; A209-Y211 PolarHBondContact O-N 3.25Å; A209-N261 HydrophobicContact CB-CB 4.09Å; A209-N261 PolarHBondContact O-N 3.44Å; A209-L265 HydrophobicContact CB-CD2 4.21Å; A209-L265 HydrophobicContact CB-CG 4.33Å |
| 210 | C | 92.3 | Very high | 90.7 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 24% | 0.243 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -22.4 | 176.7 | -67.2 | 0 | 0 | 0 | 0 | 114.2 | L117 L206 V207 E208 | L117-C210 HydrophobicContact CD1-CB 4.27Å; L117-C210 HydrophobicContact CD2-CB 3.76Å; L206-C210 PolarHBondContact O-N 2.82Å; L206-C210 PolarHBondContact O-SG 3.33Å; V207-C210 VanDerWaalsContact O-CB 3.32Å; V207-C210 WeakPolarHBondContact O-CB 3.49Å; V207-C210 PolarHBondContact O-N 2.8Å; E208-C210 PolarHBondContact O-N 3.31Å |
| 211 | Y | 90.9 | Very high | 90.5 | Very high | 145 Ų | 145 | 54 Ų | 54 | 57% | 0.569 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.7 | -11.5 | -176.4 | 65.4 | -94.2 | 0 | 0 | 0 | 114.6 | V207 E208 A209 G259 | V207-Y211 WeakPolarHBondContact O-CD1 3.43Å; V207-Y211 VanDerWaalsContact O-CE1 3.26Å; V207-Y211 WeakPolarHBondContact O-CE1 3.36Å; E208-Y211 HydrophobicContact CB-CE1 4.47Å; E208-Y211 PolarHBondContact O-N 2.8Å; A209-Y211 VanDerWaalsContact C-N 3.28Å; A209-Y211 PolarHBondContact O-N 3.25Å; Y211-G259 CarbonylContact O-C 3.4Å; Y211-G259 PolarHBondContact O-N 2.96Å |
| 212 | S | 90.6 | Very high | 90.2 | Very high | 12 Ų | 12 | 54.7 Ų | 54.7 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155.2 | -173.4 | -84.7 | 0 | 0 | 0 | 0 | 113.1 | E208 I256 G257 G259 N261 | E208-S212 PolarHBondContact O-N 2.78Å; S212-I256 VanDerWaalsContact CB-CG2 3.43Å; S212-I256 VanDerWaalsContact OG-CG2 3.25Å; S212-I256 WeakPolarHBondContact OG-CG2 3.45Å; S212-G257 WeakPolarHBondContact CA-O 3.5Å; S212-G257 PolarHBondContact OG-O 3.35Å; S212-G259 CarbonylContact C-O 3.55Å; S212-G259 WeakPolarHBondContact CA-O 3.2Å; S212-G259 PolarHBondContact N-O 2.88Å; S212-N261 VanDerWaalsContact O-CB 3.26Å; S212-N261 WeakPolarHBondContact O-CB 3.25Å; S212-N261 PolarHBondContact O-N 3.4Å |
| 213 | S | 88.3 | Confident | 89.6 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 12% | 0.119 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 150 | 176.2 | 46.3 | 0 | 0 | 0 | 0 | 109.6 | G257 G259 | S213-G257 PolarHBondContact N-O 3.11Å; S213-G257 VanDerWaalsContact N-O 3.16Å; S213-G257 WeakPolarHBondContact O-CA 3.24Å; S213-G257 PolarHBondContact O-N 2.93Å; S213-G259 PolarHBondContact N-O 2.88Å; S213-G259 PolarHBondContact OG-O 3.35Å |
| 214 | V | 89.6 | Confident | 89 | Confident | 28 Ų | 28 | 55 Ų | 55 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 133.9 | -176.3 | -180 | 0 | 0 | 0 | 0 | 109.5 | R199 N200 T254 | R199-V214 HydrophobicContact CB-CG1 4.48Å; N200-V214 PolarHBondContact ND2-O 3.46Å; N200-V214 PolarHBondContact OD1-N 3.45Å; V214-T254 HydrophobicContact CG1-CG2 3.24Å |
| 215 | K | 86.4 | Confident | 88.3 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 26% | 0.261 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 141 | 174.4 | -63.3 | -171.3 | 177.7 | -169.8 | 0 | 110.6 | D196 K255 | D196-K215 WeakPolarHBondContact OD2-CA 3.36Å; K215-K255 PolarHBondContact N-O 3.47Å; K215-K255 PolarHBondContact O-N 2.64Å; K215-K255 VanDerWaalsContact O-O 3.12Å |
| 216 | T | 89.3 | Confident | 87.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.2 | 173.9 | -58.6 | 0 | 0 | 0 | 0 | 108.9 | C186 S188 D192 D196 R199 P252 | C186-T216 PolarHBondContact SG-O 2.93Å; C186-T216 VanDerWaalsContact SG-O 3.32Å; S188-T216 WeakPolarHBondContact CB-O 3.33Å; D192-T216 HydrophobicContact CB-CG2 4.19Å; D196-T216 VanDerWaalsContact CG-N 3.32Å; D196-T216 WeakPolarHBondContact OD1-CB 3.46Å; D196-T216 PolarHBondContact OD1-N 3.39Å; D196-T216 PolarHBondContact OD1-OG1 3.35Å; D196-T216 PolarHBondContact OD2-N 2.82Å; R199-T216 PolarHBondContact NH1-OG1 3.44Å; T216-P252 HydrophobicContact CG2-CB 3.72Å |
| 217 | C | 88 | Confident | 86.8 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.2 | 174.7 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | C186 L187 E253 K255 | C186-C217 HydrophobicContact CB-CB 4.17Å; C186-C217 WeakPolarHBondContact CB-SG 3.27Å; C186-C217 WeakPolarHBondContact SG-CA 3.43Å; C186-C217 WeakPolarHBondContact SG-CB 3.43Å; C186-C217 CovalentContact SG-SG 2.03Å; C186-C217 PolarHBondContact SG-SG 3.37Å; L187-C217 WeakPolarHBondContact O-CA 3.16Å; C217-E253 PolarHBondContact N-O 3.3Å; C217-E253 WeakPolarHBondContact O-CA 3.14Å; C217-E253 PolarHBondContact O-N 3.46Å; C217-K255 HydrophobicContact CB-CD 4.05Å; C217-K255 HydrophobicContact CB-CG 4.34Å |
| 218 | M | 87.9 | Confident | 86.3 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.089 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 131.3 | 175.1 | -62.6 | -55.5 | 174.8 | 0 | 0 | 112.1 | L187 D192 F220 P252 | L187-M218 PolarHBondContact O-N 3.02Å; D192-M218 WeakPolarHBondContact OD2-CE 3.45Å; M218-F220 HydrophobicContact CB-CE1 4.26Å; M218-F220 HydrophobicContact CB-CE2 3.75Å; M218-F220 HydrophobicContact CB-CZ 3.56Å; M218-F220 HydrophobicContact CG-CZ 4.45Å; M218-P252 HydrophobicContact SD-CB 4.39Å |
| 219 | K | 86.7 | Confident | 85.7 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 22% | 0.217 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.7 | 160.1 | -80 | -171.7 | -173.2 | 166.5 | 0 | 109.6 | E250 S251 E253 | K219-E250 WeakPolarHBondContact O-CA 3.48Å; K219-S251 PolarHBondContact N-O 3.38Å; K219-S251 PolarHBondContact O-N 3.2Å; K219-E253 HydrophobicContact CD-CB 4.23Å; K219-E253 WeakPolarHBondContact CE-OE1 3.37Å; K219-E253 WeakPolarHBondContact CE-OE2 3.14Å; K219-E253 HydrophobicContact CG-CB 3.98Å; K219-E253 IonicContact NZ-OE1 3.4Å; K219-E253 PolarHBondContact NZ-OE1 3.07Å; K219-E253 IonicContact NZ-OE2 3.53Å |
| 220 | F | 87.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.2 | 174.6 | -56.8 | -85.4 | 0 | 0 | 0 | 109.7 | L187 M218 V232 T234 V237 L248 E250 | L187-F220 HydrophobicContact CD2-CE2 4.44Å; L187-F220 HydrophobicContact CD2-CZ 3.74Å; M218-F220 HydrophobicContact CB-CE1 4.26Å; M218-F220 HydrophobicContact CB-CE2 3.75Å; M218-F220 HydrophobicContact CB-CZ 3.56Å; M218-F220 HydrophobicContact CG-CZ 4.45Å; F220-V232 HydrophobicContact CB-CB 4.19Å; F220-V232 PolarHBondContact O-N 3.41Å; F220-T234 HydrophobicContact CE2-CG2 4.34Å; F220-V237 HydrophobicContact CB-CG2 3.6Å; F220-V237 HydrophobicContact CD1-CB 4.49Å; F220-V237 HydrophobicContact CD1-CG1 3.72Å; F220-V237 HydrophobicContact CD1-CG2 4.13Å; F220-V237 HydrophobicContact CD2-CB 4.05Å; F220-V237 HydrophobicContact CD2-CG1 3.97Å; F220-V237 HydrophobicContact CD2-CG2 3.69Å; F220-V237 HydrophobicContact CE1-CG1 3.67Å; F220-V237 HydrophobicContact CE2-CB 4.3Å; F220-V237 HydrophobicContact CE2-CG1 3.94Å; F220-V237 HydrophobicContact CE2-CG2 4.43Å; F220-V237 HydrophobicContact CG-CB 4.17Å; F220-V237 HydrophobicContact CG-CG1 3.88Å; F220-V237 HydrophobicContact CG-CG2 3.53Å; F220-V237 HydrophobicContact CZ-CG1 3.79Å; F220-L248 HydrophobicContact CB-CD1 4.15Å; F220-L248 HydrophobicContact CD1-CD1 4.41Å; F220-E250 HydrophobicContact CD1-CG 3.77Å; F220-E250 VanDerWaalsContact CE1-CD 3.47Å; F220-E250 HydrophobicContact CE1-CG 3.67Å; F220-E250 WeakPolarHBondContact CE1-OE1 3.31Å |
| 221 | R | 86.4 | Confident | 85 | Confident | 78 Ų | 78 | 66.8 Ų | 66.8 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.2 | 174.7 | -63.2 | -172.6 | -176.3 | 87.1 | -5.3 | 110 | V230 S249 S251 | R221-V230 VanDerWaalsContact CA-O 3.31Å; R221-V230 WeakPolarHBondContact CA-O 3.47Å; R221-S249 PolarHBondContact N-O 3.07Å; R221-S249 PolarHBondContact O-N 2.92Å; R221-S251 PolarHBondContact NH1-OG 2.93Å |
| 222 | N | 86 | Confident | 84.6 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 39% | 0.39 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.1 | 167.5 | -169.3 | -16.3 | 0 | 0 | 0 | 108.5 | V230 V232 L248 | N222-V230 PolarHBondContact N-O 3.37Å; N222-V230 PolarHBondContact O-N 2.96Å; N222-V232 HydrophobicContact CB-CG2 3.78Å; N222-L248 HydrophobicContact CB-CD2 3.68Å |
| 223 | I | 81.9 | Confident | 84.2 | Confident | 98 Ų | 98 | 63.3 Ų | 63.3 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 105.8 | 175 | -54.5 | 177 | 0 | 0 | 0 | 107 | T229 | I223-T229 HydrophobicContact CG1-CG2 4.36Å |
| 224 | T | 78.8 | Confident | 83.9 | Confident | 49 Ų | 49 | 63.8 Ų | 63.8 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | trans | -69.7 | 160.9 | 176.1 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | T226 N227 V228 V230 | T224-T226 PolarHBondContact O-N 3.5Å; T224-T226 PolarHBondContact OG1-OG1 3.32Å; T224-N227 PolarHBondContact O-N 3.15Å; T224-V228 PolarHBondContact N-O 3.09Å; T224-V228 WeakPolarHBondContact OG1-CB 3.28Å; T224-V228 PolarHBondContact OG1-N 2.86Å; T224-V228 PolarHBondContact OG1-O 2.88Å; T224-V230 HydrophobicContact CG2-CG2 4.12Å | ||
| 225 | S | 76.1 | Confident | 83.3 | Confident | 134 Ų | 134 | 65.3 Ų | 65.3 | 94% | 0.937 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -15.5 | 177.7 | -48.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 226 | T | 78.3 | Confident | 83 | Confident | 109 Ų | 109 | 65.6 Ų | 65.6 | 67% | 0.669 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 15.6 | 176.3 | 53.5 | 0 | 0 | 0 | 0 | 113.3 | T224 V228 | T224-T226 PolarHBondContact O-N 3.5Å; T224-T226 PolarHBondContact OG1-OG1 3.32Å; T226-V228 PolarHBondContact O-N 3.36Å; T226-V228 VanDerWaalsContact O-N 3.14Å |
| 227 | N | 76.9 | Confident | 82.7 | Confident | 139 Ų | 139 | 65.8 Ų | 65.8 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 58.6 | 15.7 | -173.8 | -76.1 | -18.6 | 0 | 0 | 0 | 114.6 | T224 | T224-N227 PolarHBondContact O-N 3.15Š|
| 228 | V | 84.4 | Confident | 82.1 | Confident | 81 Ų | 81 | 65.7 Ų | 65.7 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | trans | -81.5 | 124 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | T224 T226 V230 | T224-V228 PolarHBondContact N-O 3.09Å; T224-V228 WeakPolarHBondContact OG1-CB 3.28Å; T224-V228 PolarHBondContact OG1-N 2.86Å; T224-V228 PolarHBondContact OG1-O 2.88Å; T226-V228 PolarHBondContact O-N 3.36Å; T226-V228 VanDerWaalsContact O-N 3.14Å; V228-V230 HydrophobicContact CG1-CG2 4.26Å | ||
| 229 | T | 79.5 | Confident | 81.6 | Confident | 87 Ų | 87 | 69 Ų | 69 | 53% | 0.534 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 115.2 | 175 | 60.6 | 0 | 0 | 0 | 0 | 110 | I223 | I223-T229 HydrophobicContact CG1-CG2 4.36Å |
| 230 | V | 85.8 | Confident | 81.2 | Confident | 73 Ų | 73 | 68.5 Ų | 68.5 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 124.9 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | R221 N222 T224 V228 V232 | R221-V230 VanDerWaalsContact CA-O 3.31Å; R221-V230 WeakPolarHBondContact CA-O 3.47Å; N222-V230 PolarHBondContact N-O 3.37Å; N222-V230 PolarHBondContact O-N 2.96Å; T224-V230 HydrophobicContact CG2-CG2 4.12Å; V228-V230 HydrophobicContact CG1-CG2 4.26Å; V230-V232 PolarHBondContact O-N 3.13Å |
| 231 | K | 84.9 | Confident | 80.8 | Confident | 142 Ų | 142 | 70.1 Ų | 70.1 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 122 | 173.2 | -176.7 | -177.7 | 177.1 | -173.4 | 0 | 108.6 | ||
| 232 | V | 83.6 | Confident | 80.3 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 12% | 0.115 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.2 | 175.1 | -172.5 | 0 | 0 | 0 | 0 | 108 | F220 N222 V230 V236 V237 L248 | F220-V232 HydrophobicContact CB-CB 4.19Å; F220-V232 PolarHBondContact O-N 3.41Å; N222-V232 HydrophobicContact CB-CG2 3.78Å; V230-V232 PolarHBondContact O-N 3.13Å; V232-V236 HydrophobicContact CG1-CB 4.02Å; V232-V236 HydrophobicContact CG1-CG1 4.05Å; V232-V237 HydrophobicContact CB-CG2 4.04Å; V232-V237 HydrophobicContact CG1-CG2 3.56Å; V232-L248 HydrophobicContact CG2-CD1 4.5Å; V232-L248 HydrophobicContact CG2-CD2 4.02Å |
| 233 | P | 82.8 | Confident | 80 | Confident | 66 Ų | 66 | 74.7 Ų | 74.7 | 43% | 0.429 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 141.2 | 173.1 | -21.1 | 32.1 | 0 | 0 | 0 | 111 | E235 V236 V237 | P233-E235 WeakPolarHBondContact CB-OE2 3.47Å; P233-E235 PolarHBondContact O-N 3.15Å; P233-V236 HydrophobicContact CB-CG2 4.24Å; P233-V236 HydrophobicContact CG-CG2 4.28Å; P233-V236 PolarHBondContact O-N 3.42Å; P233-V236 VanDerWaalsContact O-N 3.11Å; P233-V237 WeakPolarHBondContact O-CG2 3.31Å; P233-V237 PolarHBondContact O-N 3.3Å |
| 234 | T | 81.8 | Confident | 80.1 | Confident | 27 Ų | 27 | 74.6 Ų | 74.6 | 17% | 0.166 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64 | -27.9 | -177.9 | -55.4 | 0 | 0 | 0 | 0 | 111.3 | A184 F220 V236 V237 M238 | A184-T234 HydrophobicContact CB-CG2 3.74Å; F220-T234 HydrophobicContact CE2-CG2 4.34Å; T234-V236 VanDerWaalsContact C-N 3.31Å; T234-V236 PolarHBondContact O-N 3.01Å; T234-V237 PolarHBondContact O-N 3.1Å; T234-M238 HydrophobicContact CG2-CE 3.68Å; T234-M238 HydrophobicContact CG2-SD 4.47Å; T234-M238 WeakPolarHBondContact O-CG 3.21Å; T234-M238 PolarHBondContact O-N 2.77Å |
| 235 | E | 77.2 | Confident | 80.1 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 28% | 0.28 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 174.2 | -61.1 | 72.6 | -163.2 | 0 | 0 | 111.2 | A180 A184 P233 | A180-E235 HydrophobicContact CB-CB 4.39Å; A184-E235 HydrophobicContact CB-CB 4.38Å; A184-E235 HydrophobicContact CB-CG 3.66Å; A184-E235 WeakPolarHBondContact CB-OE1 3.39Å; A184-E235 PolarHBondContact N-OE1 3.38Å; P233-E235 WeakPolarHBondContact CB-OE2 3.47Å; P233-E235 PolarHBondContact O-N 3.15Å |
| 236 | V | 80 | Confident | 80.4 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 39% | 0.394 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -68.6 | -45.4 | 177 | 179 | 0 | 0 | 0 | 0 | 109.7 | V232 P233 T234 M238 Q239 L240 | V232-V236 HydrophobicContact CG1-CB 4.02Å; V232-V236 HydrophobicContact CG1-CG1 4.05Å; P233-V236 HydrophobicContact CB-CG2 4.24Å; P233-V236 HydrophobicContact CG-CG2 4.28Å; P233-V236 PolarHBondContact O-N 3.42Å; P233-V236 VanDerWaalsContact O-N 3.11Å; T234-V236 VanDerWaalsContact C-N 3.31Å; T234-V236 PolarHBondContact O-N 3.01Å; V236-M238 VanDerWaalsContact C-N 3.25Å; V236-M238 PolarHBondContact O-N 3.13Å; V236-Q239 WeakPolarHBondContact O-CB 3.21Å; V236-Q239 PolarHBondContact O-N 3.49Å; V236-L240 WeakPolarHBondContact O-CG 3.11Å; V236-L240 PolarHBondContact O-N 3.07Å |
| 237 | V | 81.3 | Confident | 80.7 | Confident | 5 Ų | 5 | 73.9 Ų | 73.9 | 3% | 0.03 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.1 | -35.8 | -179.3 | 179.2 | 0 | 0 | 0 | 0 | 112.7 | F220 V232 P233 T234 Q239 L240 R245 L248 | F220-V237 HydrophobicContact CB-CG2 3.6Å; F220-V237 HydrophobicContact CD1-CB 4.49Å; F220-V237 HydrophobicContact CD1-CG1 3.72Å; F220-V237 HydrophobicContact CD1-CG2 4.13Å; F220-V237 HydrophobicContact CD2-CB 4.05Å; F220-V237 HydrophobicContact CD2-CG1 3.97Å; F220-V237 HydrophobicContact CD2-CG2 3.69Å; F220-V237 HydrophobicContact CE1-CG1 3.67Å; F220-V237 HydrophobicContact CE2-CB 4.3Å; F220-V237 HydrophobicContact CE2-CG1 3.94Å; F220-V237 HydrophobicContact CE2-CG2 4.43Å; F220-V237 HydrophobicContact CG-CB 4.17Å; F220-V237 HydrophobicContact CG-CG1 3.88Å; F220-V237 HydrophobicContact CG-CG2 3.53Å; F220-V237 HydrophobicContact CZ-CG1 3.79Å; V232-V237 HydrophobicContact CB-CG2 4.04Å; V232-V237 HydrophobicContact CG1-CG2 3.56Å; P233-V237 WeakPolarHBondContact O-CG2 3.31Å; P233-V237 PolarHBondContact O-N 3.3Å; T234-V237 PolarHBondContact O-N 3.1Å; V237-Q239 PolarHBondContact O-N 2.86Å; V237-L240 HydrophobicContact CG2-CD1 4.48Å; V237-L240 PolarHBondContact O-N 2.95Å; V237-R245 HydrophobicContact CG1-CG 4.28Å; V237-L248 HydrophobicContact CG1-CD1 4.43Å; V237-L248 HydrophobicContact CG2-CD1 3.8Å |
| 238 | M | 76.4 | Confident | 81.1 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.025 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.3 | -30.1 | 176.9 | -75.5 | 174.3 | 177.5 | 0 | 0 | 112.5 | A184 P185 T234 V236 L471 K482 F484 | A184-M238 HydrophobicContact CB-CE 4.34Å; A184-M238 HydrophobicContact CB-SD 4.26Å; P185-M238 HydrophobicContact CB-CE 4.41Å; P185-M238 HydrophobicContact CG-CE 3.53Å; P185-M238 HydrophobicContact CG-SD 4.13Å; P185-M238 WeakPolarHBondContact O-CE 3.5Å; T234-M238 HydrophobicContact CG2-CE 3.68Å; T234-M238 HydrophobicContact CG2-SD 4.47Å; T234-M238 WeakPolarHBondContact O-CG 3.21Å; T234-M238 PolarHBondContact O-N 2.77Å; V236-M238 VanDerWaalsContact C-N 3.25Å; V236-M238 PolarHBondContact O-N 3.13Å; M238-L471 HydrophobicContact CE-CD1 4.04Å; M238-K482 WeakPolarHBondContact O-CB 3.24Å; M238-F484 HydrophobicContact SD-CE1 3.86Å; M238-F484 HydrophobicContact SD-CZ 4.44Å |
| 239 | Q | 77.4 | Confident | 81.2 | Confident | 87 Ų | 87 | 66.9 Ų | 66.9 | 41% | 0.407 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -82.5 | -21.7 | -179.1 | -64.1 | -177.1 | -22.1 | 0 | 0 | 113.5 | E178 V236 V237 | E178-Q239 PolarHBondContact O-NE2 3.01Å; E178-Q239 VanDerWaalsContact O-NE2 3.15Å; V236-Q239 WeakPolarHBondContact O-CB 3.21Å; V236-Q239 PolarHBondContact O-N 3.49Å; V237-Q239 PolarHBondContact O-N 2.86Å |
| 240 | L | 79 | Confident | 81.5 | Confident | 40 Ų | 40 | 66.3 Ų | 66.3 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -63.2 | 153.2 | -178.7 | -63.9 | 179.3 | 0 | 0 | 0 | 112.8 | V236 V237 E244 L248 | V236-L240 WeakPolarHBondContact O-CG 3.11Å; V236-L240 PolarHBondContact O-N 3.07Å; V237-L240 HydrophobicContact CG2-CD1 4.48Å; V237-L240 PolarHBondContact O-N 2.95Å; L240-E244 WeakPolarHBondContact CA-OE2 3.29Å; L240-E244 HydrophobicContact CB-CB 3.99Å; L240-E244 HydrophobicContact CD1-CB 4.47Å; L240-E244 HydrophobicContact CD2-CB 4.13Å; L240-E244 HydrophobicContact CG-CB 4.4Å; L240-L248 HydrophobicContact CD1-CD1 3.58Å; L240-L248 HydrophobicContact CD1-CG 4.47Å |
| 241 | S | 77.3 | Confident | 81.5 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | trans | -69.4 | 165.2 | 166.1 | 90.9 | 0 | 0 | 0 | 0 | 111.3 | E243 E244 R245 | S241-E243 VanDerWaalsContact C-N 3.26Å; S241-E243 VanDerWaalsContact CB-OE2 3.25Å; S241-E243 WeakPolarHBondContact CB-OE2 3.43Å; S241-E243 PolarHBondContact O-N 3.32Å; S241-E243 PolarHBondContact OG-N 3.24Å; S241-E243 PolarHBondContact OG-OE2 3.46Å; S241-E244 PolarHBondContact N-OE2 2.97Å; S241-E244 PolarHBondContact O-N 2.92Å; S241-E244 PolarHBondContact OG-N 3.37Å; S241-E244 VanDerWaalsContact OG-N 3.15Å; S241-R245 VanDerWaalsContact O-CB 3.28Å; S241-R245 WeakPolarHBondContact O-CB 3.34Å; S241-R245 PolarHBondContact O-N 3.36Å | ||
| 242 | E | 76.6 | Confident | 81.7 | Confident | 114 Ų | 114 | 62 Ų | 62 | 53% | 0.533 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 175 | -69.3 | -158 | 146.6 | 0 | 0 | 111.6 | R245 S246 | E242-R245 PolarHBondContact O-N 3.06Å; E242-S246 WeakPolarHBondContact O-CB 3.45Å; E242-S246 PolarHBondContact O-N 2.96Å |
| 243 | E | 79.6 | Confident | 82 | Confident | 132 Ų | 132 | 63.7 Ų | 63.7 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.2 | -47.7 | 176.5 | -56.5 | 79.7 | -172.6 | 0 | 0 | 111.2 | S241 R245 S246 L247 | S241-E243 VanDerWaalsContact C-N 3.26Å; S241-E243 VanDerWaalsContact CB-OE2 3.25Å; S241-E243 WeakPolarHBondContact CB-OE2 3.43Å; S241-E243 PolarHBondContact O-N 3.32Å; S241-E243 PolarHBondContact OG-N 3.24Å; S241-E243 PolarHBondContact OG-OE2 3.46Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 3.46Å; E243-S246 WeakPolarHBondContact O-CB 3.49Å; E243-S246 PolarHBondContact O-N 3.4Å; E243-S246 PolarHBondContact O-OG 3.34Å; E243-L247 PolarHBondContact O-N 2.88Å |
| 244 | E | 83.5 | Confident | 82.2 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 45% | 0.453 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 177 | -68.8 | 175.2 | 136.3 | 0 | 0 | 111.9 | L240 S241 S246 L247 | L240-E244 WeakPolarHBondContact CA-OE2 3.29Å; L240-E244 HydrophobicContact CB-CB 3.99Å; L240-E244 HydrophobicContact CD1-CB 4.47Å; L240-E244 HydrophobicContact CD2-CB 4.13Å; L240-E244 HydrophobicContact CG-CB 4.4Å; S241-E244 PolarHBondContact N-OE2 2.97Å; S241-E244 PolarHBondContact O-N 2.92Å; S241-E244 PolarHBondContact OG-N 3.37Å; S241-E244 VanDerWaalsContact OG-N 3.15Å; E244-S246 VanDerWaalsContact C-N 3.31Å; E244-S246 PolarHBondContact O-N 2.91Å; E244-L247 WeakPolarHBondContact O-CB 3.47Å; E244-L247 PolarHBondContact O-N 3.35Å |
| 245 | R | 80.7 | Confident | 82.5 | Confident | 45 Ų | 45 | 67.3 Ų | 67.3 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 176.3 | -177.7 | 176.9 | 170.2 | -172 | -4.8 | 111.6 | V237 S241 E242 E243 L247 L248 E250 | V237-R245 HydrophobicContact CG1-CG 4.28Å; S241-R245 VanDerWaalsContact O-CB 3.28Å; S241-R245 WeakPolarHBondContact O-CB 3.34Å; S241-R245 PolarHBondContact O-N 3.36Å; E242-R245 PolarHBondContact O-N 3.06Å; E243-R245 VanDerWaalsContact C-N 3.33Å; E243-R245 PolarHBondContact O-N 3.46Å; R245-L247 PolarHBondContact O-N 3.41Å; R245-L248 WeakPolarHBondContact O-CB 3.19Å; R245-L248 PolarHBondContact O-N 2.81Å; R245-E250 WeakPolarHBondContact CG-OE1 3.47Å; R245-E250 IonicContact CZ-OE1 2.69Å; R245-E250 IonicContact NE-OE1 3.82Å; R245-E250 PolarHBondContact NE-OE1 3.04Å; R245-E250 IonicContact NH2-OE1 3.47Å; R245-E250 PolarHBondContact NH2-OE1 3.38Å; R245-E250 VanDerWaalsContact NH2-OE1 3.15Å; R245-E250 IonicContact NH2-OE2 3.89Å; R245-E250 PolarHBondContact NH2-OE2 2.9Å; R245-E250 VanDerWaalsContact NH2-OE2 3.14Å |
| 246 | S | 80.9 | Confident | 82.9 | Confident | 92 Ų | 92 | 69.6 Ų | 69.6 | 64% | 0.643 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -63.8 | -21.4 | 177.9 | 79.2 | 0 | 0 | 0 | 0 | 113.7 | E242 E243 E244 L248 | E242-S246 WeakPolarHBondContact O-CB 3.45Å; E242-S246 PolarHBondContact O-N 2.96Å; E243-S246 WeakPolarHBondContact O-CB 3.49Å; E243-S246 PolarHBondContact O-N 3.4Å; E243-S246 PolarHBondContact O-OG 3.34Å; E244-S246 VanDerWaalsContact C-N 3.31Å; E244-S246 PolarHBondContact O-N 2.91Å; S246-L248 VanDerWaalsContact C-N 3.28Å |
| 247 | L | 85 | Confident | 82.8 | Confident | 139 Ų | 139 | 67.5 Ų | 67.5 | 73% | 0.728 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -13.1 | 174.4 | -59.6 | 173.9 | 0 | 0 | 0 | 112.8 | E243 E244 R245 | E243-L247 PolarHBondContact O-N 2.88Å; E244-L247 WeakPolarHBondContact O-CB 3.47Å; E244-L247 PolarHBondContact O-N 3.35Å; R245-L247 PolarHBondContact O-N 3.41Å |
| 248 | L | 86.1 | Confident | 82.6 | Confident | 18 Ų | 18 | 78.8 Ų | 78.8 | 9% | 0.094 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -86.8 | 144.3 | 177.9 | -58.1 | -179.9 | 0 | 0 | 0 | 110.9 | F220 N222 V232 V237 L240 R245 S246 E250 | F220-L248 HydrophobicContact CB-CD1 4.15Å; F220-L248 HydrophobicContact CD1-CD1 4.41Å; N222-L248 HydrophobicContact CB-CD2 3.68Å; V232-L248 HydrophobicContact CG2-CD1 4.5Å; V232-L248 HydrophobicContact CG2-CD2 4.02Å; V237-L248 HydrophobicContact CG1-CD1 4.43Å; V237-L248 HydrophobicContact CG2-CD1 3.8Å; L240-L248 HydrophobicContact CD1-CD1 3.58Å; L240-L248 HydrophobicContact CD1-CG 4.47Å; R245-L248 WeakPolarHBondContact O-CB 3.19Å; R245-L248 PolarHBondContact O-N 2.81Å; S246-L248 VanDerWaalsContact C-N 3.28Å; L248-E250 PolarHBondContact O-N 3.37Å |
| 249 | S | 85 | Confident | 82.7 | Confident | 55 Ų | 55 | 79.9 Ų | 79.9 | 39% | 0.385 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 112.5 | 167.8 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | R221 | R221-S249 PolarHBondContact N-O 3.07Å; R221-S249 PolarHBondContact O-N 2.92Å |
| 250 | E | 85.9 | Confident | 83.2 | Confident | 76 Ų | 76 | 77.7 Ų | 77.7 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 131.2 | 172.7 | -53 | -163.9 | -179.6 | 0 | 0 | 110.1 | K219 F220 R245 L248 | K219-E250 WeakPolarHBondContact O-CA 3.48Å; F220-E250 HydrophobicContact CD1-CG 3.77Å; F220-E250 VanDerWaalsContact CE1-CD 3.47Å; F220-E250 HydrophobicContact CE1-CG 3.67Å; F220-E250 WeakPolarHBondContact CE1-OE1 3.31Å; R245-E250 WeakPolarHBondContact CG-OE1 3.47Å; R245-E250 IonicContact CZ-OE1 2.69Å; R245-E250 IonicContact NE-OE1 3.82Å; R245-E250 PolarHBondContact NE-OE1 3.04Å; R245-E250 IonicContact NH2-OE1 3.47Å; R245-E250 PolarHBondContact NH2-OE1 3.38Å; R245-E250 VanDerWaalsContact NH2-OE1 3.15Å; R245-E250 IonicContact NH2-OE2 3.89Å; R245-E250 PolarHBondContact NH2-OE2 2.9Å; R245-E250 VanDerWaalsContact NH2-OE2 3.14Å; L248-E250 PolarHBondContact O-N 3.37Å |
| 251 | S | 87.5 | Confident | 83.8 | Confident | 28 Ų | 28 | 76.2 Ų | 76.2 | 20% | 0.196 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 136.6 | 173.5 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | K219 R221 | K219-S251 PolarHBondContact N-O 3.38Å; K219-S251 PolarHBondContact O-N 3.2Å; R221-S251 PolarHBondContact NH1-OG 2.93Å |
| 252 | P | 89.2 | Confident | 84.4 | Confident | 96 Ų | 96 | 75 Ų | 75 | 62% | 0.623 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134.6 | 177.4 | 28.3 | -33.4 | 0 | 0 | 0 | 110.5 | T216 M218 | T216-P252 HydrophobicContact CG2-CB 3.72Å; M218-P252 HydrophobicContact SD-CB 4.39Å |
| 253 | E | 88.9 | Confident | 85 | Confident | 54 Ų | 54 | 70.5 Ų | 70.5 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.8 | 168.3 | 173.1 | -177.9 | -129.3 | 0 | 0 | 109.7 | C217 K219 K255 | C217-E253 PolarHBondContact N-O 3.3Å; C217-E253 WeakPolarHBondContact O-CA 3.14Å; C217-E253 PolarHBondContact O-N 3.46Å; K219-E253 HydrophobicContact CD-CB 4.23Å; K219-E253 WeakPolarHBondContact CE-OE1 3.37Å; K219-E253 WeakPolarHBondContact CE-OE2 3.14Å; K219-E253 HydrophobicContact CG-CB 3.98Å; K219-E253 IonicContact NZ-OE1 3.4Å; K219-E253 PolarHBondContact NZ-OE1 3.07Å; K219-E253 IonicContact NZ-OE2 3.53Å; E253-K255 HydrophobicContact CG-CG 4.11Å; E253-K255 PolarHBondContact O-N 2.81Å; E253-K255 WeakPolarHBondContact OE2-CE 3.31Å |
| 254 | T | 87.7 | Confident | 85.6 | Confident | 84 Ų | 84 | 64.2 Ų | 64.2 | 52% | 0.515 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 119.7 | 167.4 | -47.4 | 0 | 0 | 0 | 0 | 109.9 | V214 | V214-T254 HydrophobicContact CG1-CG2 3.24Å |
| 255 | K | 86.8 | Confident | 86.1 | Confident | 85 Ų | 85 | 59.6 Ų | 59.6 | 37% | 0.37 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 143.5 | 173.7 | -65.5 | -167.2 | -173.9 | 169.5 | 0 | 110.9 | K215 C217 E253 | K215-K255 PolarHBondContact N-O 3.47Å; K215-K255 PolarHBondContact O-N 2.64Å; K215-K255 VanDerWaalsContact O-O 3.12Å; C217-K255 HydrophobicContact CB-CD 4.05Å; C217-K255 HydrophobicContact CB-CG 4.34Å; E253-K255 HydrophobicContact CG-CG 4.11Å; E253-K255 PolarHBondContact O-N 2.81Å; E253-K255 WeakPolarHBondContact OE2-CE 3.31Å |
| 256 | I | 85.6 | Confident | 86.6 | Confident | 109 Ų | 109 | 57.7 Ų | 57.7 | 56% | 0.559 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 110 | 173.2 | -57.1 | 174.1 | 0 | 0 | 0 | 108.2 | S212 | S212-I256 VanDerWaalsContact CB-CG2 3.43Å; S212-I256 VanDerWaalsContact OG-CG2 3.25Å; S212-I256 WeakPolarHBondContact OG-CG2 3.45Å |
| 257 | G | 79 | Confident | 87.1 | Confident | 20 Ų | 20 | 57 Ų | 57 | 21% | 0.206 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 144.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S212 S213 | S212-G257 WeakPolarHBondContact CA-O 3.5Å; S212-G257 PolarHBondContact OG-O 3.35Å; S213-G257 PolarHBondContact N-O 3.11Å; S213-G257 VanDerWaalsContact N-O 3.16Å; S213-G257 WeakPolarHBondContact O-CA 3.24Å; S213-G257 PolarHBondContact O-N 2.93Å |
| 258 | R | 76.1 | Confident | 87.6 | Confident | 242 Ų | 242 | 54.3 Ų | 54.3 | 91% | 0.913 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 125.3 | 168.8 | -73.1 | -175.9 | 176.1 | 165.3 | -0.1 | 109.2 | ||
| 259 | G | 79.8 | Confident | 88 | Confident | 29 Ų | 29 | 54.2 Ų | 54.2 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 132.6 | 137.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y211 S212 S213 N261 | Y211-G259 CarbonylContact O-C 3.4Å; Y211-G259 PolarHBondContact O-N 2.96Å; S212-G259 CarbonylContact C-O 3.55Å; S212-G259 WeakPolarHBondContact CA-O 3.2Å; S212-G259 PolarHBondContact N-O 2.88Å; S213-G259 PolarHBondContact N-O 2.88Å; S213-G259 PolarHBondContact OG-O 3.35Å; G259-N261 PolarHBondContact O-N 3.45Å |
| 260 | M | 87.5 | Confident | 88.3 | Confident | 41 Ų | 41 | 53 Ų | 53 | 20% | 0.202 | 27% | 0.27 | C | S | . | . | trans | -57.6 | 131 | -178.9 | 178 | 170.7 | 64.3 | 0 | 0 | 111.9 | I116 L117 I120 I262 L265 | I116-M260 HydrophobicContact CB-CE 4.01Å; I116-M260 HydrophobicContact CG2-CE 3.29Å; L117-M260 HydrophobicContact CB-CE 4.49Å; L117-M260 HydrophobicContact CB-SD 3.65Å; L117-M260 HydrophobicContact CD1-SD 3.52Å; L117-M260 VanDerWaalsContact CD1-SD 3.52Å; L117-M260 HydrophobicContact CG-SD 4.14Å; I120-M260 HydrophobicContact CD1-CE 4.03Å; M260-I262 VanDerWaalsContact C-N 3.25Å; M260-I262 HydrophobicContact CE-CD1 3.98Å; M260-I262 HydrophobicContact CE-CG1 3.5Å; M260-I262 HydrophobicContact CG-CG1 4.13Å; M260-I262 PolarHBondContact O-N 2.97Å; M260-L265 HydrophobicContact CG-CD1 3.3Å; M260-L265 HydrophobicContact SD-CD1 3.45Å; M260-L265 WeakPolarHBondContact SD-CD1 3.42Å | ||
| 261 | N | 90.7 | Very high | 88.6 | Confident | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | trans | -75.3 | 78.7 | 170.1 | 177.3 | 9.4 | 0 | 0 | 0 | 110.1 | N200 A209 S212 G259 L263 G264 L265 | N200-N261 WeakPolarHBondContact CA-ND2 3.38Å; N200-N261 WeakPolarHBondContact CB-OD1 3.4Å; N200-N261 PolarHBondContact O-ND2 3.4Å; N200-N261 PolarHBondContact O-OD1 3.13Å; A209-N261 HydrophobicContact CB-CB 4.09Å; A209-N261 PolarHBondContact O-N 3.44Å; S212-N261 VanDerWaalsContact O-CB 3.26Å; S212-N261 WeakPolarHBondContact O-CB 3.25Å; S212-N261 PolarHBondContact O-N 3.4Å; G259-N261 PolarHBondContact O-N 3.45Å; N261-L263 VanDerWaalsContact C-N 3.27Å; N261-L263 PolarHBondContact O-N 2.62Å; N261-G264 PolarHBondContact O-N 2.99Å; N261-G264 PolarHBondContact OD1-N 3.25Å; N261-L265 VanDerWaalsContact O-CG 3.28Å; N261-L265 WeakPolarHBondContact O-CG 3.41Å; N261-L265 PolarHBondContact O-N 3.05Å; N261-L265 VanDerWaalsContact O-N 3.07Å | ||
| 262 | I | 89.6 | Confident | 88.9 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.051 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.4 | -40.5 | -179.9 | -66.7 | 171.9 | 0 | 0 | 0 | 111 | I120 M260 L265 I266 S385 T415 | I120-I262 HydrophobicContact CD1-CD1 4.4Å; I120-I262 HydrophobicContact CD1-CG1 4.22Å; I120-I262 HydrophobicContact CD1-CG2 4.03Å; M260-I262 VanDerWaalsContact C-N 3.25Å; M260-I262 HydrophobicContact CE-CD1 3.98Å; M260-I262 HydrophobicContact CE-CG1 3.5Å; M260-I262 HydrophobicContact CG-CG1 4.13Å; M260-I262 PolarHBondContact O-N 2.97Å; I262-L265 PolarHBondContact O-N 3.27Å; I262-I266 HydrophobicContact CG2-CD1 3.57Å; I262-I266 HydrophobicContact CG2-CG1 4.16Å; I262-I266 WeakPolarHBondContact O-CG1 3.3Å; I262-I266 PolarHBondContact O-N 3.31Å; I262-S385 WeakPolarHBondContact CD1-OG 3.24Å; I262-T415 HydrophobicContact CB-CG2 3.59Å; I262-T415 HydrophobicContact CD1-CG2 4.47Å; I262-T415 HydrophobicContact CG2-CG2 3.5Å |
| 263 | L | 90.4 | Very high | 89 | Confident | 20 Ų | 20 | 49 Ų | 49 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -49.3 | -179.2 | -179.3 | 65.1 | 0 | 0 | 0 | 111.9 | L197 L201 N261 I266 F267 L412 I416 | L197-L263 HydrophobicContact CD1-CD2 3.32Å; L197-L263 HydrophobicContact CG-CD2 4.03Å; L201-L263 HydrophobicContact CB-CD2 4.39Å; L201-L263 HydrophobicContact CD1-CD1 4.01Å; L201-L263 HydrophobicContact CD1-CD2 4.35Å; L201-L263 HydrophobicContact CD1-CG 3.95Å; N261-L263 VanDerWaalsContact C-N 3.27Å; N261-L263 PolarHBondContact O-N 2.62Å; L263-I266 PolarHBondContact O-N 2.92Å; L263-F267 PolarHBondContact O-N 3.43Å; L263-L412 HydrophobicContact CD1-CD1 4.3Å; L263-I416 HydrophobicContact CD1-CG2 4.28Å |
| 264 | G | 92.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -39.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | N200 N261 F267 F268 | N200-G264 WeakPolarHBondContact O-CA 3.47Å; N200-G264 PolarHBondContact O-N 2.98Å; N200-G264 VanDerWaalsContact O-N 3.12Å; N261-G264 PolarHBondContact O-N 2.99Å; N261-G264 PolarHBondContact OD1-N 3.25Å; G264-F267 PolarHBondContact O-N 3.46Å; G264-F268 WeakPolarHBondContact O-CB 3.37Å; G264-F268 PolarHBondContact O-N 3.33Å |
| 265 | L | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 173.9 | -68.9 | 170.5 | 0 | 0 | 0 | 111.4 | L117 L206 A209 M260 N261 I262 F269 | L117-L265 HydrophobicContact CD1-CD1 3.59Å; L117-L265 HydrophobicContact CD1-CD2 4.4Å; L206-L265 HydrophobicContact CD1-CD2 3.78Å; A209-L265 HydrophobicContact CB-CD2 4.21Å; A209-L265 HydrophobicContact CB-CG 4.33Å; M260-L265 HydrophobicContact CG-CD1 3.3Å; M260-L265 HydrophobicContact SD-CD1 3.45Å; M260-L265 WeakPolarHBondContact SD-CD1 3.42Å; N261-L265 VanDerWaalsContact O-CG 3.28Å; N261-L265 WeakPolarHBondContact O-CG 3.41Å; N261-L265 PolarHBondContact O-N 3.05Å; N261-L265 VanDerWaalsContact O-N 3.07Å; I262-L265 PolarHBondContact O-N 3.27Å; L265-F269 HydrophobicContact CD2-CD2 4.48Å; L265-F269 HydrophobicContact CD2-CE2 4.08Å; L265-F269 WeakPolarHBondContact O-CB 3.28Å; L265-F269 VanDerWaalsContact O-CD2 3.24Å; L265-F269 WeakPolarHBondContact O-CD2 3.26Å; L265-F269 PolarHBondContact O-N 3.22Å |
| 266 | I | 91.5 | Very high | 89.5 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.9 | -52.9 | 175.7 | -69.6 | 163.8 | 0 | 0 | 0 | 109.7 | I120 I124 I262 L263 F268 F269 V270 P411 L412 | I120-I266 HydrophobicContact CG2-CG1 4.48Å; I124-I266 HydrophobicContact CD1-CB 4.09Å; I124-I266 HydrophobicContact CD1-CG1 3.6Å; I124-I266 HydrophobicContact CD1-CG2 4.24Å; I262-I266 HydrophobicContact CG2-CD1 3.57Å; I262-I266 HydrophobicContact CG2-CG1 4.16Å; I262-I266 WeakPolarHBondContact O-CG1 3.3Å; I262-I266 PolarHBondContact O-N 3.31Å; L263-I266 PolarHBondContact O-N 2.92Å; I266-F268 PolarHBondContact O-N 3.46Å; I266-F269 PolarHBondContact O-N 3.4Å; I266-V270 HydrophobicContact CG2-CG2 3.98Å; I266-V270 WeakPolarHBondContact O-CB 3.3Å; I266-V270 WeakPolarHBondContact O-CG2 3.42Å; I266-V270 PolarHBondContact O-N 2.92Å; I266-P411 VanDerWaalsContact CD1-C 3.44Å; I266-P411 HydrophobicContact CD1-CB 3.74Å; I266-P411 WeakPolarHBondContact CD1-O 2.83Å; I266-P411 HydrophobicContact CG1-CB 4.18Å; I266-L412 HydrophobicContact CD1-CB 4.36Å |
| 267 | F | 91.6 | Very high | 89.6 | Confident | 78 Ų | 78 | 43 Ų | 43 | 34% | 0.342 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -57.6 | -51.5 | -177.8 | 178.1 | -94.2 | 0 | 0 | 0 | 112 | L201 L202 L263 G264 F269 V270 V271 | L201-F267 HydrophobicContact CD1-CB 3.69Å; L201-F267 HydrophobicContact CD1-CD2 3.72Å; L201-F267 HydrophobicContact CD1-CG 3.83Å; L201-F267 HydrophobicContact CD2-CD2 4.34Å; L201-F267 HydrophobicContact CD2-CE2 4.49Å; L201-F267 HydrophobicContact CG-CB 4.22Å; L201-F267 HydrophobicContact CG-CD2 3.89Å; L201-F267 HydrophobicContact CG-CE2 4.42Å; L201-F267 HydrophobicContact CG-CG 3.94Å; L201-F267 VanDerWaalsContact O-CD1 3.26Å; L201-F267 WeakPolarHBondContact O-CD1 3.37Å; L202-F267 HydrophobicContact CD2-CD1 3.87Å; L202-F267 HydrophobicContact CD2-CE1 3.27Å; L202-F267 HydrophobicContact CD2-CZ 3.83Å; L263-F267 PolarHBondContact O-N 3.43Å; G264-F267 PolarHBondContact O-N 3.46Å; F267-F269 PolarHBondContact O-N 3.43Å; F267-V270 PolarHBondContact O-N 3.25Å; F267-V271 HydrophobicContact CE1-CG2 4.31Å; F267-V271 HydrophobicContact CZ-CG2 4.23Å; F267-V271 WeakPolarHBondContact O-CG2 3.47Å; F267-V271 PolarHBondContact O-N 3.48Å; F267-V271 VanDerWaalsContact O-N 3.14Å |
| 268 | F | 94.9 | Very high | 90 | Very high | 82 Ų | 82 | 46.3 Ų | 46.3 | 36% | 0.36 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59 | -49.5 | 178.5 | 177.1 | -92.3 | 0 | 0 | 0 | 111.6 | L206 G264 I266 V270 V271 F272 | L206-F268 HydrophobicContact CD1-CB 4.26Å; L206-F268 HydrophobicContact CD1-CD1 3.56Å; L206-F268 HydrophobicContact CD1-CD2 4.49Å; L206-F268 HydrophobicContact CD1-CE1 4.01Å; L206-F268 HydrophobicContact CD1-CG 3.84Å; L206-F268 HydrophobicContact CD2-CD1 3.96Å; L206-F268 HydrophobicContact CD2-CE1 3.49Å; L206-F268 VanDerWaalsContact CD2-CE1 3.49Å; L206-F268 HydrophobicContact CD2-CZ 3.88Å; L206-F268 HydrophobicContact CG-CD1 4.41Å; L206-F268 HydrophobicContact CG-CE1 4.39Å; G264-F268 WeakPolarHBondContact O-CB 3.37Å; G264-F268 PolarHBondContact O-N 3.33Å; I266-F268 PolarHBondContact O-N 3.46Å; F268-V270 VanDerWaalsContact C-N 3.33Å; F268-V270 PolarHBondContact O-N 2.64Å; F268-V271 PolarHBondContact O-N 3.23Å; F268-F272 HydrophobicContact CE1-CB 4.27Å; F268-F272 HydrophobicContact CE1-CD2 4.42Å; F268-F272 HydrophobicContact CE1-CG 4.42Å; F268-F272 HydrophobicContact CZ-CD2 4.49Å; F268-F272 VanDerWaalsContact O-CB 3.27Å; F268-F272 WeakPolarHBondContact O-CB 3.17Å; F268-F272 PolarHBondContact O-N 3.39Å |
| 269 | F | 94.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 39 Ų | 39 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.7 | -22.6 | -176 | -78.1 | -70.2 | 0 | 0 | 0 | 113.8 | I121 I124 V125 L206 L265 I266 F267 F272 A273 | I121-F269 HydrophobicContact CB-CD2 4.33Å; I121-F269 HydrophobicContact CB-CE2 4.21Å; I121-F269 HydrophobicContact CB-CZ 4.35Å; I121-F269 HydrophobicContact CD1-CD2 4.25Å; I121-F269 HydrophobicContact CD1-CE2 3.45Å; I121-F269 VanDerWaalsContact CD1-CE2 3.45Å; I121-F269 HydrophobicContact CD1-CZ 3.76Å; I121-F269 HydrophobicContact CG1-CD2 3.72Å; I121-F269 HydrophobicContact CG1-CE2 3.45Å; I121-F269 VanDerWaalsContact CG1-CE2 3.45Å; I121-F269 HydrophobicContact CG1-CG 4.46Å; I121-F269 HydrophobicContact CG1-CZ 3.97Å; I121-F269 HydrophobicContact CG2-CD1 3.75Å; I121-F269 HydrophobicContact CG2-CD2 4.05Å; I121-F269 HydrophobicContact CG2-CE1 3.45Å; I121-F269 VanDerWaalsContact CG2-CE1 3.45Å; I121-F269 HydrophobicContact CG2-CE2 3.8Å; I121-F269 HydrophobicContact CG2-CG 4.04Å; I121-F269 HydrophobicContact CG2-CZ 3.48Å; I121-F269 VanDerWaalsContact CG2-CZ 3.48Å; I124-F269 HydrophobicContact CB-CB 4.49Å; I124-F269 HydrophobicContact CG2-CB 3.95Å; V125-F269 HydrophobicContact CG2-CB 4.11Å; V125-F269 HydrophobicContact CG2-CD1 3.57Å; V125-F269 HydrophobicContact CG2-CE1 4.43Å; V125-F269 HydrophobicContact CG2-CG 4.21Å; L206-F269 HydrophobicContact CD1-CE2 4Å; L206-F269 HydrophobicContact CD1-CZ 4.49Å; L206-F269 HydrophobicContact CD2-CE2 4.45Å; L206-F269 HydrophobicContact CD2-CZ 4.13Å; L265-F269 HydrophobicContact CD2-CD2 4.48Å; L265-F269 HydrophobicContact CD2-CE2 4.08Å; L265-F269 WeakPolarHBondContact O-CB 3.28Å; L265-F269 VanDerWaalsContact O-CD2 3.24Å; L265-F269 WeakPolarHBondContact O-CD2 3.26Å; L265-F269 PolarHBondContact O-N 3.22Å; I266-F269 PolarHBondContact O-N 3.4Å; F267-F269 PolarHBondContact O-N 3.43Å; F269-F272 HydrophobicContact CD1-CB 4.36Å; F269-F272 AromaticContact CD1-CD1 3.8Å; F269-F272 HydrophobicContact CD1-CD1 3.8Å; F269-F272 HydrophobicContact CD1-CE1 4.4Å; F269-F272 HydrophobicContact CD1-CG 4.28Å; F269-F272 HydrophobicContact CE1-CD1 4.18Å; F269-F272 HydrophobicContact CE1-CE1 4.4Å; F269-A273 WeakPolarHBondContact O-CB 3.25Å; F269-A273 PolarHBondContact O-N 3.44Å |
| 270 | V | 91.3 | Very high | 90.9 | Very high | 30 Ų | 30 | 42.7 Ų | 42.7 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -52 | 167.1 | 168.6 | 0 | 0 | 0 | 0 | 110.1 | I124 I128 I266 F267 F268 F272 A273 I274 F408 | I124-V270 HydrophobicContact CG2-CG2 4.03Å; I128-V270 HydrophobicContact CD1-CB 3.93Å; I128-V270 HydrophobicContact CD1-CG1 4Å; I128-V270 HydrophobicContact CD1-CG2 3.39Å; I266-V270 HydrophobicContact CG2-CG2 3.98Å; I266-V270 WeakPolarHBondContact O-CB 3.3Å; I266-V270 WeakPolarHBondContact O-CG2 3.42Å; I266-V270 PolarHBondContact O-N 2.92Å; F267-V270 PolarHBondContact O-N 3.25Å; F268-V270 VanDerWaalsContact C-N 3.33Å; F268-V270 PolarHBondContact O-N 2.64Å; V270-F272 PolarHBondContact O-N 2.94Å; V270-A273 PolarHBondContact O-N 3.12Å; V270-I274 HydrophobicContact CG1-CD1 3.95Å; V270-I274 VanDerWaalsContact O-CG1 3.28Å; V270-I274 WeakPolarHBondContact O-CG1 3.25Å; V270-I274 PolarHBondContact O-N 2.9Å; V270-F408 HydrophobicContact CG2-CD2 4.22Å; V270-F408 HydrophobicContact CG2-CE2 3.89Å |
| 271 | V | 92.2 | Very high | 90.9 | Very high | 56 Ų | 56 | 47.8 Ų | 47.8 | 34% | 0.339 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 178.5 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | F267 F268 A273 I274 F275 | F267-V271 HydrophobicContact CE1-CG2 4.31Å; F267-V271 HydrophobicContact CZ-CG2 4.23Å; F267-V271 WeakPolarHBondContact O-CG2 3.47Å; F267-V271 PolarHBondContact O-N 3.48Å; F267-V271 VanDerWaalsContact O-N 3.14Å; F268-V271 PolarHBondContact O-N 3.23Å; V271-A273 VanDerWaalsContact C-N 3.34Å; V271-A273 PolarHBondContact O-N 2.97Å; V271-I274 WeakPolarHBondContact O-CB 3.46Å; V271-I274 PolarHBondContact O-N 3.13Å; V271-I274 VanDerWaalsContact O-N 3.16Å; V271-F275 HydrophobicContact CG1-CD2 3.82Å; V271-F275 HydrophobicContact CG1-CE2 3.72Å; V271-F275 VanDerWaalsContact O-CD2 3.3Å; V271-F275 WeakPolarHBondContact O-CD2 3.31Å; V271-F275 PolarHBondContact O-N 3.27Å |
| 272 | F | 93.6 | Very high | 90.9 | Very high | 61 Ų | 61 | 54.8 Ų | 54.8 | 27% | 0.268 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.9 | -45 | 175.9 | -179.6 | -101 | 0 | 0 | 0 | 112.3 | V125 F268 F269 V270 I274 F275 I276 L286 F290 | V125-F272 HydrophobicContact CG1-CD1 4.43Å; V125-F272 HydrophobicContact CG1-CE1 4.4Å; V125-F272 HydrophobicContact CG2-CD1 3.9Å; V125-F272 HydrophobicContact CG2-CE1 4.27Å; F268-F272 HydrophobicContact CE1-CB 4.27Å; F268-F272 HydrophobicContact CE1-CD2 4.42Å; F268-F272 HydrophobicContact CE1-CG 4.42Å; F268-F272 HydrophobicContact CZ-CD2 4.49Å; F268-F272 VanDerWaalsContact O-CB 3.27Å; F268-F272 WeakPolarHBondContact O-CB 3.17Å; F268-F272 PolarHBondContact O-N 3.39Å; F269-F272 HydrophobicContact CD1-CB 4.36Å; F269-F272 AromaticContact CD1-CD1 3.8Å; F269-F272 HydrophobicContact CD1-CD1 3.8Å; F269-F272 HydrophobicContact CD1-CE1 4.4Å; F269-F272 HydrophobicContact CD1-CG 4.28Å; F269-F272 HydrophobicContact CE1-CD1 4.18Å; F269-F272 HydrophobicContact CE1-CE1 4.4Å; V270-F272 PolarHBondContact O-N 2.94Å; F272-I274 PolarHBondContact O-N 3.31Å; F272-F275 PolarHBondContact O-N 3.4Å; F272-I276 HydrophobicContact CD1-CD1 3.64Å; F272-I276 HydrophobicContact CD1-CG1 4.47Å; F272-I276 HydrophobicContact CE1-CD1 3.23Å; F272-I276 HydrophobicContact CE1-CG1 4.25Å; F272-I276 HydrophobicContact CG-CD1 4.48Å; F272-I276 HydrophobicContact CZ-CD1 3.77Å; F272-I276 HydrophobicContact CZ-CG1 4.46Å; F272-I276 WeakPolarHBondContact O-CG1 3.14Å; F272-I276 PolarHBondContact O-N 3Å; F272-L286 HydrophobicContact CZ-CD1 4.16Å; F272-F290 AromaticContact CE1-CE2 3.7Å; F272-F290 HydrophobicContact CE1-CE2 3.7Å; F272-F290 HydrophobicContact CE1-CZ 4.15Å; F272-F290 HydrophobicContact CZ-CE2 4.31Å |
| 273 | A | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | V125 I128 A129 F269 V270 V271 I276 S277 | V125-A273 HydrophobicContact CB-CB 4.49Å; V125-A273 HydrophobicContact CG1-CB 4.36Å; V125-A273 HydrophobicContact CG2-CB 4.49Å; I128-A273 HydrophobicContact CB-CB 3.72Å; I128-A273 HydrophobicContact CG2-CB 3.78Å; A129-A273 HydrophobicContact CB-CB 4.39Å; F269-A273 WeakPolarHBondContact O-CB 3.25Å; F269-A273 PolarHBondContact O-N 3.44Å; V270-A273 PolarHBondContact O-N 3.12Å; V271-A273 VanDerWaalsContact C-N 3.34Å; V271-A273 PolarHBondContact O-N 2.97Å; A273-I276 PolarHBondContact O-N 3.25Å; A273-S277 PolarHBondContact O-N 3.49Å |
| 274 | I | 90.7 | Very high | 90.9 | Very high | 57 Ų | 57 | 56.5 Ų | 56.5 | 29% | 0.292 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 173.1 | -69.7 | 164.4 | 0 | 0 | 0 | 110.2 | I128 T133 V270 V271 F272 S277 V278 | I128-I274 HydrophobicContact CG2-CG1 4.05Å; T133-I274 HydrophobicContact CG2-CG2 4.27Å; V270-I274 HydrophobicContact CG1-CD1 3.95Å; V270-I274 VanDerWaalsContact O-CG1 3.28Å; V270-I274 WeakPolarHBondContact O-CG1 3.25Å; V270-I274 PolarHBondContact O-N 2.9Å; V271-I274 WeakPolarHBondContact O-CB 3.46Å; V271-I274 PolarHBondContact O-N 3.13Å; V271-I274 VanDerWaalsContact O-N 3.16Å; F272-I274 PolarHBondContact O-N 3.31Å; I274-S277 CarbonylContact O-C 3.22Å; I274-S277 WeakPolarHBondContact O-CA 3.45Å; I274-S277 VanDerWaalsContact O-CB 3.25Å; I274-S277 WeakPolarHBondContact O-CB 3.42Å; I274-S277 PolarHBondContact O-N 3.08Å; I274-V278 HydrophobicContact CG2-CG2 4.48Å; I274-V278 WeakPolarHBondContact O-CG2 3.36Å; I274-V278 PolarHBondContact O-N 2.85Å |
| 275 | F | 91.8 | Very high | 91 | Very high | 127 Ų | 127 | 60.9 Ų | 60.9 | 56% | 0.557 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -67.7 | -39.1 | 177.7 | -82.4 | -75 | 0 | 0 | 0 | 113 | V271 F272 S277 V278 L279 | V271-F275 HydrophobicContact CG1-CD2 3.82Å; V271-F275 HydrophobicContact CG1-CE2 3.72Å; V271-F275 VanDerWaalsContact O-CD2 3.3Å; V271-F275 WeakPolarHBondContact O-CD2 3.31Å; V271-F275 PolarHBondContact O-N 3.27Å; F272-F275 PolarHBondContact O-N 3.4Å; F275-S277 PolarHBondContact O-N 3.35Å; F275-V278 PolarHBondContact O-N 3.39Å; F275-V278 VanDerWaalsContact O-N 3.12Å; F275-L279 WeakPolarHBondContact O-CG 3.27Å; F275-L279 PolarHBondContact O-N 3.39Å |
| 276 | I | 91.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.4 | -38.6 | 167.5 | -73.8 | 173.1 | 0 | 0 | 0 | 110.3 | V125 A129 F272 A273 L286 R287 | V125-I276 HydrophobicContact CG1-CD1 3.68Å; A129-I276 HydrophobicContact CB-CB 4.48Å; A129-I276 HydrophobicContact CB-CG2 3.93Å; F272-I276 HydrophobicContact CD1-CD1 3.64Å; F272-I276 HydrophobicContact CD1-CG1 4.47Å; F272-I276 HydrophobicContact CE1-CD1 3.23Å; F272-I276 HydrophobicContact CE1-CG1 4.25Å; F272-I276 HydrophobicContact CG-CD1 4.48Å; F272-I276 HydrophobicContact CZ-CD1 3.77Å; F272-I276 HydrophobicContact CZ-CG1 4.46Å; F272-I276 WeakPolarHBondContact O-CG1 3.14Å; F272-I276 PolarHBondContact O-N 3Å; A273-I276 PolarHBondContact O-N 3.25Å; I276-L286 HydrophobicContact CD1-CB 3.78Å; I276-L286 HydrophobicContact CD1-CD1 4.06Å; I276-L286 HydrophobicContact CG1-CB 4.27Å; I276-L286 HydrophobicContact CG1-CD1 4.06Å; I276-R287 HydrophobicContact CG2-CG 3.28Å |
| 277 | S | 86.1 | Confident | 91.1 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.7 | -37.5 | 177.4 | -88.4 | 0 | 0 | 0 | 0 | 115 | A129 A273 I274 F275 E280 R287 | A129-S277 VanDerWaalsContact C-OG 3.28Å; A129-S277 WeakPolarHBondContact CA-OG 3.45Å; A129-S277 PolarHBondContact O-OG 2.92Å; A273-S277 PolarHBondContact O-N 3.49Å; I274-S277 CarbonylContact O-C 3.22Å; I274-S277 WeakPolarHBondContact O-CA 3.45Å; I274-S277 VanDerWaalsContact O-CB 3.25Å; I274-S277 WeakPolarHBondContact O-CB 3.42Å; I274-S277 PolarHBondContact O-N 3.08Å; F275-S277 PolarHBondContact O-N 3.35Å; S277-E280 PolarHBondContact O-N 2.74Å; S277-R287 PolarHBondContact OG-NH2 3.28Å |
| 278 | V | 88.2 | Confident | 91.1 | Very high | 90 Ų | 90 | 66 Ų | 66 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.2 | -33.9 | 178 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | I274 F275 E280 | I274-V278 HydrophobicContact CG2-CG2 4.48Å; I274-V278 WeakPolarHBondContact O-CG2 3.36Å; I274-V278 PolarHBondContact O-N 2.85Å; F275-V278 PolarHBondContact O-N 3.39Å; F275-V278 VanDerWaalsContact O-N 3.12Å; V278-E280 PolarHBondContact O-N 3.37Å |
| 279 | L | 89.2 | Confident | 91.2 | Very high | 88 Ų | 88 | 67.8 Ų | 67.8 | 46% | 0.461 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -6.3 | 178 | -71.8 | 175 | 0 | 0 | 0 | 114.2 | F275 E281 E282 | F275-L279 WeakPolarHBondContact O-CG 3.27Å; F275-L279 PolarHBondContact O-N 3.39Å; L279-E281 PolarHBondContact O-N 3.3Å; L279-E282 HydrophobicContact CB-CB 4.22Å; L279-E282 PolarHBondContact O-N 3.22Å |
| 280 | E | 84.9 | Confident | 91.3 | Very high | 107 Ų | 107 | 68 Ų | 68 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | -101.4 | 177.2 | -56.4 | -163.8 | 151.3 | 0 | 0 | 113.8 | S277 V278 R287 R531 | S277-E280 PolarHBondContact O-N 2.74Å; V278-E280 PolarHBondContact O-N 3.37Å; E280-R287 PolarHBondContact O-NH1 2.77Å; E280-R531 IonicContact OE1-NH1 2.96Å; E280-R531 PolarHBondContact OE1-NH1 3.28Å |
| 281 | E | 87.7 | Confident | 91.3 | Very high | 147 Ų | 147 | 71.2 Ų | 71.2 | 69% | 0.687 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -39.1 | -178.6 | -63.1 | -169.7 | 167.4 | 0 | 0 | 112.7 | L279 G283 Q284 | L279-E281 PolarHBondContact O-N 3.3Å; E281-G283 PolarHBondContact O-N 2.93Å; E281-Q284 VanDerWaalsContact O-CB 3.24Å; E281-Q284 WeakPolarHBondContact O-CB 3.36Å; E281-Q284 PolarHBondContact O-N 2.52Å; E281-Q284 VanDerWaalsContact O-N 3.13Å |
| 282 | E | 90.4 | Very high | 91.5 | Very high | 156 Ų | 156 | 72 Ų | 72 | 73% | 0.729 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -29.5 | 178.8 | -66.5 | -177 | -171.3 | 0 | 0 | 111.8 | L279 Q284 P285 | L279-E282 HydrophobicContact CB-CB 4.22Å; L279-E282 PolarHBondContact O-N 3.22Å; E282-Q284 VanDerWaalsContact C-N 3.34Å; E282-P285 WeakPolarHBondContact O-CD 3.32Å |
| 283 | G | 90.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -14.6 | 176 | 0 | 0 | 0 | 0 | 0 | 114.2 | E281 L286 R287 | E281-G283 PolarHBondContact O-N 2.93Å; G283-L286 PolarHBondContact O-N 3.34Å; G283-R287 PolarHBondContact O-N 3.28Å; G283-R287 VanDerWaalsContact O-N 3.14Å |
| 284 | Q | 90.3 | Very high | 91.6 | Very high | 67 Ų | 67 | 72.1 Ų | 72.1 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | -171.7 | -171.5 | 57.2 | 34.1 | 0 | 0 | 114.3 | E281 E282 L286 R287 D288 | E281-Q284 VanDerWaalsContact O-CB 3.24Å; E281-Q284 WeakPolarHBondContact O-CB 3.36Å; E281-Q284 PolarHBondContact O-N 2.52Å; E281-Q284 VanDerWaalsContact O-N 3.13Å; E282-Q284 VanDerWaalsContact C-N 3.34Å; Q284-L286 VanDerWaalsContact C-N 3.29Å; Q284-L286 PolarHBondContact O-N 3.45Å; Q284-R287 WeakPolarHBondContact O-CB 3.49Å; Q284-R287 PolarHBondContact O-N 2.91Å; Q284-R287 VanDerWaalsContact O-N 3.14Å; Q284-D288 PolarHBondContact NE2-OD1 3.38Å; Q284-D288 PolarHBondContact NE2-OD2 3.27Å; Q284-D288 PolarHBondContact O-N 2.98Å |
| 285 | P | 94.9 | Very high | 91.7 | Very high | 91 Ų | 91 | 72 Ų | 72 | 59% | 0.591 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.1 | -38.7 | 177.1 | -25.1 | 35.6 | 0 | 0 | 0 | 113.2 | E282 D288 F289 | E282-P285 WeakPolarHBondContact O-CD 3.32Å; P285-D288 PolarHBondContact O-N 3.18Å; P285-F289 WeakPolarHBondContact O-CB 3.46Å; P285-F289 PolarHBondContact O-N 2.87Å |
| 286 | L | 94.6 | Very high | 91.9 | Very high | 74 Ų | 74 | 69.5 Ų | 69.5 | 39% | 0.387 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.1 | -42.8 | 176.5 | -71 | 173.2 | 0 | 0 | 0 | 111.1 | F272 I276 G283 Q284 D288 F289 F290 | F272-L286 HydrophobicContact CZ-CD1 4.16Å; I276-L286 HydrophobicContact CD1-CB 3.78Å; I276-L286 HydrophobicContact CD1-CD1 4.06Å; I276-L286 HydrophobicContact CG1-CB 4.27Å; I276-L286 HydrophobicContact CG1-CD1 4.06Å; G283-L286 PolarHBondContact O-N 3.34Å; Q284-L286 VanDerWaalsContact C-N 3.29Å; Q284-L286 PolarHBondContact O-N 3.45Å; L286-D288 VanDerWaalsContact C-N 3.31Å; L286-D288 PolarHBondContact O-N 3Å; L286-F289 PolarHBondContact O-N 3.21Å; L286-F290 HydrophobicContact CD2-CE2 4.49Å; L286-F290 WeakPolarHBondContact O-CD2 3.16Å; L286-F290 PolarHBondContact O-N 3.33Å |
| 287 | R | 91 | Very high | 91.9 | Very high | 45 Ų | 45 | 70.1 Ų | 70.1 | 17% | 0.17 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.8 | -47.3 | 174.8 | -67.9 | 179.2 | 163.4 | 147.5 | -16 | 111.6 | A129 I276 S277 E280 G283 Q284 F290 K291 | A129-R287 HydrophobicContact CB-CG 3.86Å; A129-R287 VanDerWaalsContact O-CZ 3.31Å; A129-R287 PolarHBondContact O-NE 3.45Å; A129-R287 PolarHBondContact O-NH2 3.28Å; I276-R287 HydrophobicContact CG2-CG 3.28Å; S277-R287 PolarHBondContact OG-NH2 3.28Å; E280-R287 PolarHBondContact O-NH1 2.77Å; G283-R287 PolarHBondContact O-N 3.28Å; G283-R287 VanDerWaalsContact O-N 3.14Å; Q284-R287 WeakPolarHBondContact O-CB 3.49Å; Q284-R287 PolarHBondContact O-N 2.91Å; Q284-R287 VanDerWaalsContact O-N 3.14Å; R287-F290 PolarHBondContact O-N 2.81Å; R287-K291 VanDerWaalsContact O-CB 3.25Å; R287-K291 WeakPolarHBondContact O-CB 3.17Å; R287-K291 PolarHBondContact O-N 2.81Å |
| 288 | D | 93.4 | Very high | 92.1 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 38% | 0.38 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70 | -36.8 | -176.8 | -70.2 | -28.6 | 0 | 0 | 0 | 112.3 | Q284 P285 L286 S292 | Q284-D288 PolarHBondContact NE2-OD1 3.38Å; Q284-D288 PolarHBondContact NE2-OD2 3.27Å; Q284-D288 PolarHBondContact O-N 2.98Å; P285-D288 PolarHBondContact O-N 3.18Å; L286-D288 VanDerWaalsContact C-N 3.31Å; L286-D288 PolarHBondContact O-N 3Å; D288-S292 WeakPolarHBondContact O-CB 3.46Å; D288-S292 PolarHBondContact O-N 3.12Å; D288-S292 PolarHBondContact O-OG 3.3Å |
| 289 | F | 96 | Very high | 92.3 | Very high | 120 Ų | 120 | 73.2 Ų | 73.2 | 53% | 0.526 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.9 | -55.2 | 170.5 | 171.4 | -98.3 | 0 | 0 | 0 | 111.4 | P285 L286 K291 S292 L293 | P285-F289 WeakPolarHBondContact O-CB 3.46Å; P285-F289 PolarHBondContact O-N 2.87Å; L286-F289 PolarHBondContact O-N 3.21Å; F289-K291 VanDerWaalsContact C-N 3.34Å; F289-K291 PolarHBondContact O-N 3.04Å; F289-S292 PolarHBondContact O-N 3.24Å; F289-L293 HydrophobicContact CE1-CD2 4.14Å; F289-L293 HydrophobicContact CZ-CD2 4.27Å; F289-L293 WeakPolarHBondContact O-CB 3.19Å; F289-L293 PolarHBondContact O-N 2.97Å |
| 290 | F | 95.2 | Very high | 92.5 | Very high | 20 Ų | 20 | 72.3 Ų | 72.3 | 9% | 0.088 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67 | -34.8 | -177.3 | -76.1 | -68 | 0 | 0 | 0 | 112.6 | I121 S122 V125 F272 L286 R287 L293 E294 | I121-F290 HydrophobicContact CG2-CD1 4.23Å; I121-F290 HydrophobicContact CG2-CE1 3.57Å; I121-F290 HydrophobicContact CG2-CZ 4.31Å; S122-F290 WeakPolarHBondContact CB-O 3.41Å; V125-F290 HydrophobicContact CB-CB 4.06Å; V125-F290 HydrophobicContact CB-CD1 4.29Å; V125-F290 HydrophobicContact CB-CD2 3.94Å; V125-F290 HydrophobicContact CB-CE2 4.49Å; V125-F290 HydrophobicContact CB-CG 3.83Å; V125-F290 HydrophobicContact CG1-CB 4Å; V125-F290 HydrophobicContact CG1-CD2 3.39Å; V125-F290 HydrophobicContact CG1-CE2 4.01Å; V125-F290 HydrophobicContact CG1-CG 3.75Å; V125-F290 HydrophobicContact CG2-CD2 4.37Å; V125-F290 HydrophobicContact CG2-CE2 4.45Å; V125-F290 HydrophobicContact CG2-CG 4.42Å; F272-F290 AromaticContact CE1-CE2 3.7Å; F272-F290 HydrophobicContact CE1-CE2 3.7Å; F272-F290 HydrophobicContact CE1-CZ 4.15Å; F272-F290 HydrophobicContact CZ-CE2 4.31Å; L286-F290 HydrophobicContact CD2-CE2 4.49Å; L286-F290 WeakPolarHBondContact O-CD2 3.16Å; L286-F290 PolarHBondContact O-N 3.33Å; R287-F290 PolarHBondContact O-N 2.81Å; F290-L293 HydrophobicContact CD1-CD2 4.34Å; F290-L293 PolarHBondContact O-N 3.27Å; F290-E294 VanDerWaalsContact O-CB 3.28Å; F290-E294 WeakPolarHBondContact O-CB 3.06Å; F290-E294 PolarHBondContact O-N 2.95Å |
| 291 | K | 93.3 | Very high | 92.7 | Very high | 98 Ų | 98 | 67.2 Ų | 67.2 | 43% | 0.426 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 173 | -176.5 | 178.3 | 178.6 | -176.4 | 0 | 112.2 | R287 F289 S295 | R287-K291 VanDerWaalsContact O-CB 3.25Å; R287-K291 WeakPolarHBondContact O-CB 3.17Å; R287-K291 PolarHBondContact O-N 2.81Å; F289-K291 VanDerWaalsContact C-N 3.34Å; F289-K291 PolarHBondContact O-N 3.04Å; K291-S295 WeakPolarHBondContact O-CB 3.16Å; K291-S295 PolarHBondContact O-N 3.17Å; K291-S295 PolarHBondContact O-OG 3.18Å |
| 292 | S | 96.3 | Very high | 92.8 | Very high | 73 Ų | 73 | 62.8 Ų | 62.8 | 51% | 0.51 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 176 | -59.8 | 0 | 0 | 0 | 0 | 111 | D288 F289 E294 S295 V296 | D288-S292 WeakPolarHBondContact O-CB 3.46Å; D288-S292 PolarHBondContact O-N 3.12Å; D288-S292 PolarHBondContact O-OG 3.3Å; F289-S292 PolarHBondContact O-N 3.24Å; S292-E294 PolarHBondContact O-N 3.18Å; S292-S295 WeakPolarHBondContact O-CB 3.3Å; S292-S295 PolarHBondContact O-N 2.95Å; S292-V296 WeakPolarHBondContact O-CG2 3.46Å; S292-V296 PolarHBondContact O-N 3.32Å |
| 293 | L | 95.7 | Very high | 92.8 | Very high | 46 Ų | 46 | 61.1 Ų | 61.1 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 176.2 | -179.1 | 59.5 | 0 | 0 | 0 | 111.3 | F289 F290 S295 V296 M297 | F289-L293 HydrophobicContact CE1-CD2 4.14Å; F289-L293 HydrophobicContact CZ-CD2 4.27Å; F289-L293 WeakPolarHBondContact O-CB 3.19Å; F289-L293 PolarHBondContact O-N 2.97Å; F290-L293 HydrophobicContact CD1-CD2 4.34Å; F290-L293 PolarHBondContact O-N 3.27Å; L293-S295 PolarHBondContact O-N 2.93Å; L293-V296 WeakPolarHBondContact O-CB 3.21Å; L293-V296 PolarHBondContact O-N 3.15Å; L293-M297 HydrophobicContact CD1-CE 3.82Å; L293-M297 HydrophobicContact CD1-CG 4.49Å; L293-M297 WeakPolarHBondContact O-CG 3.31Å; L293-M297 PolarHBondContact O-N 3.01Å |
| 294 | E | 91.7 | Very high | 92.8 | Very high | 17 Ų | 17 | 61.8 Ų | 61.8 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.8 | -47.3 | 176 | 174 | -92.9 | 132.3 | 0 | 0 | 111.6 | S122 T123 F290 S292 V296 M297 M298 R407 | S122-E294 WeakPolarHBondContact OG-CA 3.27Å; T123-E294 HydrophobicContact CG2-CG 3.73Å; F290-E294 VanDerWaalsContact O-CB 3.28Å; F290-E294 WeakPolarHBondContact O-CB 3.06Å; F290-E294 PolarHBondContact O-N 2.95Å; S292-E294 PolarHBondContact O-N 3.18Å; E294-V296 VanDerWaalsContact C-N 3.28Å; E294-V296 PolarHBondContact O-N 3.43Å; E294-M297 PolarHBondContact O-N 3.1Å; E294-M297 VanDerWaalsContact O-N 3.09Å; E294-M298 WeakPolarHBondContact O-CG 3.13Å; E294-M298 PolarHBondContact O-N 3.22Å; E294-M298 VanDerWaalsContact OE1-CG 3.29Å; E294-M298 WeakPolarHBondContact OE1-CG 3.41Å; E294-R407 VanDerWaalsContact CG-NH1 3.35Å; E294-R407 IonicContact OE1-CZ 3.09Å; E294-R407 VanDerWaalsContact OE1-CZ 3.24Å; E294-R407 IonicContact OE1-NH1 2.93Å; E294-R407 PolarHBondContact OE1-NH1 2.81Å; E294-R407 IonicContact OE1-NH2 2.73Å; E294-R407 PolarHBondContact OE1-NH2 3.38Å; E294-R407 IonicContact OE2-CZ 3.3Å; E294-R407 IonicContact OE2-NH1 3.95Å; E294-R407 PolarHBondContact OE2-NH1 2.79Å; E294-R407 IonicContact OE2-NH2 3.22Å |
| 295 | S | 92.3 | Very high | 92.6 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.8 | -38.1 | 177.6 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | K291 S292 L293 K299 | K291-S295 WeakPolarHBondContact O-CB 3.16Å; K291-S295 PolarHBondContact O-N 3.17Å; K291-S295 PolarHBondContact O-OG 3.18Å; S292-S295 WeakPolarHBondContact O-CB 3.3Å; S292-S295 PolarHBondContact O-N 2.95Å; L293-S295 PolarHBondContact O-N 2.93Å; S295-K299 PolarHBondContact O-N 3.13Å |
| 296 | V | 95.4 | Very high | 92.4 | Very high | 74 Ų | 74 | 60 Ų | 60 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 174 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | S292 L293 E294 M298 K299 L300 | S292-V296 WeakPolarHBondContact O-CG2 3.46Å; S292-V296 PolarHBondContact O-N 3.32Å; L293-V296 WeakPolarHBondContact O-CB 3.21Å; L293-V296 PolarHBondContact O-N 3.15Å; E294-V296 VanDerWaalsContact C-N 3.28Å; E294-V296 PolarHBondContact O-N 3.43Å; V296-M298 VanDerWaalsContact C-N 3.32Å; V296-M298 PolarHBondContact O-N 3.25Å; V296-K299 WeakPolarHBondContact O-CB 3.27Å; V296-K299 PolarHBondContact O-N 3.32Å; V296-K299 VanDerWaalsContact O-N 3.1Å; V296-L300 HydrophobicContact CG1-CD1 4.32Å; V296-L300 HydrophobicContact CG1-CG 4.45Å; V296-L300 PolarHBondContact O-N 2.85Å |
| 297 | M | 93.6 | Very high | 92.3 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.8 | -42 | 178.6 | -68 | -52 | 104.7 | 0 | 0 | 111.7 | L115 P118 L119 L293 E294 K299 L300 I301 | L115-M297 HydrophobicContact CD2-SD 4.05Å; P118-M297 HydrophobicContact CB-CG 4.16Å; P118-M297 HydrophobicContact CB-SD 3.73Å; P118-M297 HydrophobicContact CG-SD 4.45Å; L119-M297 HydrophobicContact CB-CB 4.37Å; L119-M297 HydrophobicContact CD1-CB 3.69Å; L293-M297 HydrophobicContact CD1-CE 3.82Å; L293-M297 HydrophobicContact CD1-CG 4.49Å; L293-M297 WeakPolarHBondContact O-CG 3.31Å; L293-M297 PolarHBondContact O-N 3.01Å; E294-M297 PolarHBondContact O-N 3.1Å; E294-M297 VanDerWaalsContact O-N 3.09Å; M297-K299 VanDerWaalsContact C-N 3.27Å; M297-K299 PolarHBondContact O-N 3.19Å; M297-L300 HydrophobicContact CE-CD1 3.55Å; M297-L300 PolarHBondContact O-N 3.37Å; M297-L300 VanDerWaalsContact O-N 3.13Å; M297-L300 HydrophobicContact SD-CD1 4.07Å; M297-I301 VanDerWaalsContact O-CG1 3.24Å; M297-I301 WeakPolarHBondContact O-CG1 3.26Å; M297-I301 PolarHBondContact O-N 2.92Å |
| 298 | M | 89.1 | Confident | 92.1 | Very high | 19 Ų | 19 | 57.4 Ų | 57.4 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.5 | -33.3 | 176.7 | -69.3 | -63.1 | -91.5 | 0 | 0 | 113.1 | L119 E294 V296 I301 T302 K393 E396 | L119-M298 HydrophobicContact CD1-SD 4.19Å; E294-M298 WeakPolarHBondContact O-CG 3.13Å; E294-M298 PolarHBondContact O-N 3.22Å; E294-M298 VanDerWaalsContact OE1-CG 3.29Å; E294-M298 WeakPolarHBondContact OE1-CG 3.41Å; V296-M298 VanDerWaalsContact C-N 3.32Å; V296-M298 PolarHBondContact O-N 3.25Å; M298-I301 HydrophobicContact SD-CD1 4.16Å; M298-T302 PolarHBondContact O-N 3.37Å; M298-T302 PolarHBondContact O-OG1 3.46Å; M298-K393 HydrophobicContact CE-CB 4.25Å; M298-K393 HydrophobicContact CE-CG 4.3Å; M298-E396 WeakPolarHBondContact CE-OE2 3.43Å |
| 299 | K | 92.4 | Very high | 92 | Very high | 154 Ų | 154 | 54.9 Ų | 54.9 | 67% | 0.67 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -70.4 | -43.4 | 172.4 | -70.6 | 179.7 | 179.8 | -176.8 | 0 | 111.7 | S295 V296 M297 T302 I303 | S295-K299 PolarHBondContact O-N 3.13Å; V296-K299 WeakPolarHBondContact O-CB 3.27Å; V296-K299 PolarHBondContact O-N 3.32Å; V296-K299 VanDerWaalsContact O-N 3.1Å; M297-K299 VanDerWaalsContact C-N 3.27Å; M297-K299 PolarHBondContact O-N 3.19Å; K299-T302 VanDerWaalsContact O-CB 3.3Å; K299-T302 WeakPolarHBondContact O-CB 3.44Å; K299-T302 PolarHBondContact O-N 3.02Å; K299-T302 VanDerWaalsContact O-N 3.12Å; K299-I303 PolarHBondContact O-N 3.28Å |
| 300 | L | 93.4 | Very high | 91.9 | Very high | 69 Ų | 69 | 52.8 Ų | 52.8 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 176.5 | -67.8 | 178.2 | 0 | 0 | 0 | 111.9 | L115 V296 M297 T302 I303 V304 | L115-L300 HydrophobicContact CD1-CB 4.24Å; L115-L300 HydrophobicContact CD2-CB 3.91Å; L115-L300 HydrophobicContact CD2-CD1 3.91Å; V296-L300 HydrophobicContact CG1-CD1 4.32Å; V296-L300 HydrophobicContact CG1-CG 4.45Å; V296-L300 PolarHBondContact O-N 2.85Å; M297-L300 HydrophobicContact CE-CD1 3.55Å; M297-L300 PolarHBondContact O-N 3.37Å; M297-L300 VanDerWaalsContact O-N 3.13Å; M297-L300 HydrophobicContact SD-CD1 4.07Å; L300-T302 PolarHBondContact O-N 3.49Å; L300-I303 WeakPolarHBondContact O-CB 3.43Å; L300-I303 PolarHBondContact O-N 3.31Å; L300-V304 PolarHBondContact O-N 3.25Å |
| 301 | I | 90 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.7 | -40.1 | 174.3 | -68 | 164.7 | 0 | 0 | 0 | 110.1 | L115 L119 M297 M298 I303 V304 I305 P389 K393 | L115-I301 HydrophobicContact CB-CG1 4.46Å; L115-I301 HydrophobicContact CD1-CB 4.48Å; L115-I301 HydrophobicContact CD1-CG1 3.73Å; L119-I301 HydrophobicContact CD1-CD1 3.78Å; L119-I301 HydrophobicContact CD2-CD1 3.52Å; L119-I301 HydrophobicContact CG-CD1 4.18Å; M297-I301 VanDerWaalsContact O-CG1 3.24Å; M297-I301 WeakPolarHBondContact O-CG1 3.26Å; M297-I301 PolarHBondContact O-N 2.92Å; M298-I301 HydrophobicContact SD-CD1 4.16Å; I301-I303 VanDerWaalsContact C-N 3.27Å; I301-I303 PolarHBondContact O-N 2.97Å; I301-V304 PolarHBondContact O-N 3.3Å; I301-I305 HydrophobicContact CG2-CD1 3.45Å; I301-I305 VanDerWaalsContact CG2-CD1 3.45Å; I301-I305 HydrophobicContact CG2-CG1 4.07Å; I301-I305 VanDerWaalsContact O-CB 3.31Å; I301-I305 WeakPolarHBondContact O-CB 3.5Å; I301-I305 WeakPolarHBondContact O-CD1 3.42Å; I301-I305 WeakPolarHBondContact O-CG1 3.28Å; I301-I305 PolarHBondContact O-N 2.75Å; I301-P389 HydrophobicContact CD1-CB 3.83Å; I301-P389 HydrophobicContact CG1-CB 4.12Å; I301-K393 HydrophobicContact CG2-CB 4.33Å; I301-K393 HydrophobicContact CG2-CD 3.84Å |
| 302 | T | 88.7 | Confident | 91.6 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.5 | -36.2 | 176.8 | -58.2 | 0 | 0 | 0 | 0 | 113 | M298 K299 L300 K393 | M298-T302 PolarHBondContact O-N 3.37Å; M298-T302 PolarHBondContact O-OG1 3.46Å; K299-T302 VanDerWaalsContact O-CB 3.3Å; K299-T302 WeakPolarHBondContact O-CB 3.44Å; K299-T302 PolarHBondContact O-N 3.02Å; K299-T302 VanDerWaalsContact O-N 3.12Å; L300-T302 PolarHBondContact O-N 3.49Å; T302-K393 VanDerWaalsContact CA-NZ 3.33Å; T302-K393 WeakPolarHBondContact OG1-CE 3.49Å; T302-K393 PolarHBondContact OG1-NZ 3.42Å |
| 303 | I | 91.4 | Very high | 91.5 | Very high | 121 Ų | 121 | 45.3 Ų | 45.3 | 62% | 0.621 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -72.1 | -49.7 | 175.9 | -61.5 | 167.3 | 0 | 0 | 0 | 110.4 | K299 L300 I301 I305 W306 | K299-I303 PolarHBondContact O-N 3.28Å; L300-I303 WeakPolarHBondContact O-CB 3.43Å; L300-I303 PolarHBondContact O-N 3.31Å; I301-I303 VanDerWaalsContact C-N 3.27Å; I301-I303 PolarHBondContact O-N 2.97Å; I303-I305 PolarHBondContact O-N 3.32Å; I303-W306 PolarHBondContact O-N 3.48Å; I303-W306 VanDerWaalsContact O-N 3.07Å |
| 304 | V | 90.5 | Very high | 91.4 | Very high | 14 Ų | 14 | 46 Ų | 46 | 9% | 0.085 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -37.9 | -178.4 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | F108 M111 L112 L115 L300 I301 W306 Y307 | F108-V304 HydrophobicContact CD2-CG1 4.35Å; F108-V304 HydrophobicContact CE2-CG1 4.19Å; M111-V304 HydrophobicContact CB-CB 4.49Å; M111-V304 HydrophobicContact CB-CG1 3.64Å; M111-V304 HydrophobicContact CB-CG2 3.98Å; M111-V304 HydrophobicContact CE-CG1 4.36Å; M111-V304 HydrophobicContact SD-CG2 4.3Å; L112-V304 HydrophobicContact CD2-CG1 3.82Å; L112-V304 HydrophobicContact CG-CG1 4.2Å; L115-V304 HydrophobicContact CD1-CB 4.32Å; L115-V304 HydrophobicContact CD1-CG2 3.76Å; L300-V304 PolarHBondContact O-N 3.25Å; I301-V304 PolarHBondContact O-N 3.3Å; V304-W306 PolarHBondContact O-N 3.06Å; V304-Y307 WeakPolarHBondContact O-CB 3.33Å; V304-Y307 PolarHBondContact O-N 3.23Å |
| 305 | I | 86.6 | Confident | 91.3 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.3 | -30.3 | 179.1 | -76.5 | 171.5 | 0 | 0 | 0 | 112.8 | L68 I301 I303 Y307 A308 L390 K393 | L68-I305 HydrophobicContact CD1-CG2 3.64Å; L68-I305 WeakPolarHBondContact CD1-O 3.37Å; L68-I305 HydrophobicContact CD2-CG2 3.13Å; L68-I305 HydrophobicContact CG-CG2 3.92Å; I301-I305 HydrophobicContact CG2-CD1 3.45Å; I301-I305 VanDerWaalsContact CG2-CD1 3.45Å; I301-I305 HydrophobicContact CG2-CG1 4.07Å; I301-I305 VanDerWaalsContact O-CB 3.31Å; I301-I305 WeakPolarHBondContact O-CB 3.5Å; I301-I305 WeakPolarHBondContact O-CD1 3.42Å; I301-I305 WeakPolarHBondContact O-CG1 3.28Å; I301-I305 PolarHBondContact O-N 2.75Å; I303-I305 PolarHBondContact O-N 3.32Å; I305-Y307 PolarHBondContact O-N 2.88Å; I305-A308 WeakPolarHBondContact O-CB 3.47Å; I305-A308 PolarHBondContact O-N 3.37Å; I305-L390 HydrophobicContact CD1-CD1 3.35Å; I305-L390 HydrophobicContact CG1-CD1 3.78Å; I305-K393 HydrophobicContact CD1-CD 3.6Å |
| 306 | W | 90 | Very high | 91 | Very high | 115 Ų | 115 | 43.3 Ų | 43.3 | 44% | 0.436 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.7 | -19.7 | 175.8 | -81.5 | 96.4 | 0 | 0 | 0 | 113.3 | K64 L67 F71 I303 V304 A308 P309 | K64-W306 HydrophobicContact CB-CZ2 4.35Å; L67-W306 HydrophobicContact CD2-CH2 4.19Å; F71-W306 HydrophobicContact CD2-CZ3 4.29Å; F71-W306 HydrophobicContact CE2-CZ3 4.21Å; I303-W306 PolarHBondContact O-N 3.48Å; I303-W306 VanDerWaalsContact O-N 3.07Å; V304-W306 PolarHBondContact O-N 3.06Å; W306-A308 VanDerWaalsContact C-N 3.33Å; W306-P309 WeakPolarHBondContact O-CD 3.24Å |
| 307 | Y | 91.6 | Very high | 90.8 | Very high | 62 Ų | 62 | 39.8 Ų | 39.8 | 24% | 0.243 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -13.2 | 171.3 | -169.7 | -92.6 | 0 | 0 | 0 | 112.5 | P104 I107 F108 M111 V304 I305 P309 I310 G311 | P104-Y307 WeakPolarHBondContact O-CE1 3.41Å; P104-Y307 PolarHBondContact O-OH 3.18Å; I107-Y307 HydrophobicContact CG2-CE1 4.29Å; F108-Y307 HydrophobicContact CB-CD1 3.73Å; F108-Y307 HydrophobicContact CB-CE1 3.77Å; F108-Y307 AromaticContact CD2-CD1 3.95Å; F108-Y307 HydrophobicContact CD2-CD1 3.95Å; F108-Y307 HydrophobicContact CG-CD1 4.2Å; M111-Y307 HydrophobicContact CE-CD1 3.25Å; M111-Y307 HydrophobicContact CE-CD2 4.28Å; M111-Y307 HydrophobicContact CE-CE1 3.84Å; M111-Y307 HydrophobicContact CE-CG 3.5Å; V304-Y307 WeakPolarHBondContact O-CB 3.33Å; V304-Y307 PolarHBondContact O-N 3.23Å; I305-Y307 PolarHBondContact O-N 2.88Å; Y307-P309 VanDerWaalsContact C-CD 3.46Å; Y307-I310 HydrophobicContact CD2-CD1 4.33Å; Y307-I310 HydrophobicContact CE2-CB 4.43Å; Y307-I310 HydrophobicContact CE2-CD1 4.31Å; Y307-I310 HydrophobicContact CE2-CG2 4.27Å; Y307-I310 PolarHBondContact O-N 2.85Å; Y307-I310 VanDerWaalsContact O-N 3.11Å; Y307-G311 PolarHBondContact O-N 2.97Å |
| 308 | A | 87.8 | Confident | 90.6 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.2 | -41.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F108 I305 W306 I310 G311 I312 | F108-A308 HydrophobicContact CE1-CB 4.19Å; F108-A308 HydrophobicContact CE2-CB 3.6Å; F108-A308 HydrophobicContact CZ-CB 3.4Å; I305-A308 WeakPolarHBondContact O-CB 3.47Å; I305-A308 PolarHBondContact O-N 3.37Å; W306-A308 VanDerWaalsContact C-N 3.33Å; A308-I310 VanDerWaalsContact C-N 3.31Å; A308-I310 PolarHBondContact O-N 3.22Å; A308-G311 PolarHBondContact O-N 3.39Å; A308-I312 HydrophobicContact CB-CD1 4.21Å; A308-I312 VanDerWaalsContact O-CB 3.3Å; A308-I312 WeakPolarHBondContact O-CB 3.43Å; A308-I312 WeakPolarHBondContact O-CD1 3.2Å; A308-I312 WeakPolarHBondContact O-CG1 3.44Å; A308-I312 PolarHBondContact O-N 3.05Å |
| 309 | P | 90.9 | Very high | 90.1 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.5 | -45 | 176.6 | -27.7 | 37.1 | 0 | 0 | 0 | 112.9 | F71 W306 Y307 I313 | F71-P309 HydrophobicContact CB-CB 4.11Å; F71-P309 HydrophobicContact CB-CG 3.64Å; W306-P309 WeakPolarHBondContact O-CD 3.24Å; Y307-P309 VanDerWaalsContact C-CD 3.46Å; P309-I313 WeakPolarHBondContact O-CD1 3.19Å; P309-I313 WeakPolarHBondContact O-CG1 3.44Å; P309-I313 PolarHBondContact O-N 3.47Å; P309-I313 VanDerWaalsContact O-N 3.09Å |
| 310 | I | 93.7 | Very high | 89.6 | Confident | 76 Ų | 76 | 34.7 Ų | 34.7 | 39% | 0.39 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.6 | -50.7 | 177.1 | -60.8 | 173 | 0 | 0 | 0 | 109.4 | P104 Y307 A308 I312 I313 F314 | P104-I310 HydrophobicContact CB-CG2 4.43Å; Y307-I310 HydrophobicContact CD2-CD1 4.33Å; Y307-I310 HydrophobicContact CE2-CB 4.43Å; Y307-I310 HydrophobicContact CE2-CD1 4.31Å; Y307-I310 HydrophobicContact CE2-CG2 4.27Å; Y307-I310 PolarHBondContact O-N 2.85Å; Y307-I310 VanDerWaalsContact O-N 3.11Å; A308-I310 VanDerWaalsContact C-N 3.31Å; A308-I310 PolarHBondContact O-N 3.22Å; I310-I312 VanDerWaalsContact C-N 3.28Å; I310-I312 PolarHBondContact O-N 2.85Å; I310-I313 PolarHBondContact O-N 3.26Å; I310-F314 HydrophobicContact CG2-CD2 3.96Å; I310-F314 HydrophobicContact CG2-CE2 3.98Å; I310-F314 VanDerWaalsContact O-CD2 3.31Å; I310-F314 WeakPolarHBondContact O-CD2 3.37Å; I310-F314 PolarHBondContact O-N 3.48Å |
| 311 | G | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -53.1 | -46.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y307 A308 F314 L315 | Y307-G311 PolarHBondContact O-N 2.97Å; A308-G311 PolarHBondContact O-N 3.39Å; G311-F314 PolarHBondContact O-N 3.33Å; G311-L315 WeakPolarHBondContact O-CB 3.49Å; G311-L315 WeakPolarHBondContact O-CG 3.49Å; G311-L315 PolarHBondContact O-N 2.92Å |
| 312 | I | 89.5 | Confident | 88.6 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.3 | -37.7 | -178.5 | -68.4 | 165.3 | 0 | 0 | 0 | 111.8 | T72 C76 F108 A308 I310 F314 T316 | T72-I312 HydrophobicContact CG2-CD1 3.34Å; C76-I312 HydrophobicContact CB-CG2 3.97Å; F108-I312 HydrophobicContact CE1-CG1 4.43Å; A308-I312 HydrophobicContact CB-CD1 4.21Å; A308-I312 VanDerWaalsContact O-CB 3.3Å; A308-I312 WeakPolarHBondContact O-CB 3.43Å; A308-I312 WeakPolarHBondContact O-CD1 3.2Å; A308-I312 WeakPolarHBondContact O-CG1 3.44Å; A308-I312 PolarHBondContact O-N 3.05Å; I310-I312 VanDerWaalsContact C-N 3.28Å; I310-I312 PolarHBondContact O-N 2.85Å; I312-F314 PolarHBondContact O-N 3Å; I312-T316 WeakPolarHBondContact O-CB 3.47Å; I312-T316 PolarHBondContact O-N 3.11Å; I312-T316 PolarHBondContact O-OG1 3.25Å |
| 313 | I | 94 | Very high | 87.4 | Confident | 33 Ų | 33 | 36 Ų | 36 | 17% | 0.169 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.5 | -54.5 | 174 | -70.9 | 161.1 | 0 | 0 | 0 | 110 | G75 L78 G79 L82 P309 I310 A317 | G75-I313 VanDerWaalsContact CA-CG1 3.41Å; G75-I313 WeakPolarHBondContact O-CA 3.37Å; G75-I313 WeakPolarHBondContact O-CG1 3.11Å; L78-I313 HydrophobicContact CB-CD1 4.41Å; L78-I313 HydrophobicContact CB-CG1 4.09Å; L78-I313 HydrophobicContact CD1-CD1 4.35Å; G79-I313 WeakPolarHBondContact CA-O 3.41Å; L82-I313 HydrophobicContact CD2-CG2 4.17Å; P309-I313 WeakPolarHBondContact O-CD1 3.19Å; P309-I313 WeakPolarHBondContact O-CG1 3.44Å; P309-I313 PolarHBondContact O-N 3.47Å; P309-I313 VanDerWaalsContact O-N 3.09Å; I310-I313 PolarHBondContact O-N 3.26Å; I313-A317 VanDerWaalsContact O-CB 3.23Å; I313-A317 WeakPolarHBondContact O-CB 3.3Å; I313-A317 PolarHBondContact O-N 3.01Å |
| 314 | F | 94.5 | Very high | 86.1 | Confident | 62 Ų | 62 | 39 Ų | 39 | 27% | 0.272 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -75.7 | -35.5 | -173 | -74.7 | -79.7 | 0 | 0 | 0 | 113 | L101 P104 I310 G311 I312 H318 | L101-F314 HydrophobicContact CD1-CD1 4.2Å; L101-F314 WeakPolarHBondContact O-CD1 3.47Å; P104-F314 HydrophobicContact CB-CB 4Å; P104-F314 HydrophobicContact CB-CD1 4.38Å; P104-F314 HydrophobicContact CB-CD2 3.52Å; P104-F314 HydrophobicContact CB-CE2 4.07Å; P104-F314 HydrophobicContact CB-CG 3.71Å; P104-F314 HydrophobicContact CG-CB 4.3Å; P104-F314 HydrophobicContact CG-CD1 3.89Å; P104-F314 HydrophobicContact CG-CD2 3.84Å; P104-F314 HydrophobicContact CG-CE1 4.14Å; P104-F314 HydrophobicContact CG-CE2 4.1Å; P104-F314 HydrophobicContact CG-CG 3.74Å; P104-F314 HydrophobicContact CG-CZ 4.24Å; I310-F314 HydrophobicContact CG2-CD2 3.96Å; I310-F314 HydrophobicContact CG2-CE2 3.98Å; I310-F314 VanDerWaalsContact O-CD2 3.31Å; I310-F314 WeakPolarHBondContact O-CD2 3.37Å; I310-F314 PolarHBondContact O-N 3.48Å; G311-F314 PolarHBondContact O-N 3.33Å; I312-F314 PolarHBondContact O-N 3Å; F314-H318 WeakPolarHBondContact O-CB 3.16Å; F314-H318 PolarHBondContact O-N 3.24Å |
| 315 | L | 89.7 | Confident | 84.7 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.7 | -59.3 | 169.8 | -74.5 | 173.1 | 0 | 0 | 0 | 109.2 | F108 L109 G311 A317 H318 Q319 T381 | F108-L315 HydrophobicContact CD1-CD1 4.18Å; L109-L315 HydrophobicContact CD1-CD1 4.45Å; L109-L315 HydrophobicContact CD1-CD2 3.84Å; L109-L315 HydrophobicContact CG-CD1 4.28Å; L109-L315 HydrophobicContact CG-CD2 4.44Å; G311-L315 WeakPolarHBondContact O-CB 3.49Å; G311-L315 WeakPolarHBondContact O-CG 3.49Å; G311-L315 PolarHBondContact O-N 2.92Å; L315-A317 VanDerWaalsContact C-N 3.35Å; L315-A317 PolarHBondContact O-N 3.46Å; L315-H318 PolarHBondContact O-N 3.05Å; L315-Q319 WeakPolarHBondContact O-CG 3.48Å; L315-Q319 PolarHBondContact O-N 3.25Å; L315-T381 HydrophobicContact CD1-CG2 3.73Å |
| 316 | T | 86.6 | Confident | 83.1 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 8% | 0.08 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.5 | -42.9 | -176.4 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | L80 I312 Q319 I320 | L80-T316 HydrophobicContact CB-CG2 4.42Å; L80-T316 HydrophobicContact CD2-CG2 3.56Å; L80-T316 HydrophobicContact CG-CG2 3.65Å; I312-T316 WeakPolarHBondContact O-CB 3.47Å; I312-T316 PolarHBondContact O-N 3.11Å; I312-T316 PolarHBondContact O-OG1 3.25Å; T316-Q319 PolarHBondContact O-N 2.89Å; T316-I320 WeakPolarHBondContact O-CG1 3.45Å; T316-I320 PolarHBondContact O-N 2.77Å; T316-I320 VanDerWaalsContact O-N 3.16Å |
| 317 | A | 91 | Very high | 81.8 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G79 L82 L101 I313 L315 Q319 I320 V321 | G79-A317 VanDerWaalsContact O-CA 3.24Å; G79-A317 WeakPolarHBondContact O-CA 3.33Å; G79-A317 WeakPolarHBondContact O-CB 3.48Å; G79-A317 PolarHBondContact O-N 3.43Å; L82-A317 HydrophobicContact CB-CB 4.11Å; L82-A317 HydrophobicContact CD2-CB 3.81Å; L82-A317 HydrophobicContact CG-CB 3.93Å; L101-A317 HydrophobicContact CD1-CB 4.35Å; I313-A317 VanDerWaalsContact O-CB 3.23Å; I313-A317 WeakPolarHBondContact O-CB 3.3Å; I313-A317 PolarHBondContact O-N 3.01Å; L315-A317 VanDerWaalsContact C-N 3.35Å; L315-A317 PolarHBondContact O-N 3.46Å; A317-Q319 PolarHBondContact O-N 3Å; A317-I320 PolarHBondContact O-N 3.07Å; A317-V321 WeakPolarHBondContact O-CG2 3.44Å; A317-V321 PolarHBondContact O-N 2.8Å; A317-V321 VanDerWaalsContact O-N 3.17Å |
| 318 | H | 89.1 | Confident | 80.2 | Confident | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.051 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -55.9 | -41.3 | 175.8 | 170.2 | -92.5 | 0 | 0 | 0 | 111.9 | L98 L101 K102 F314 L315 I320 V321 I322 | L98-H318 PolarHBondContact O-CD2 3.35Å; L101-H318 HydrophobicContact CD2-CB 4.24Å; L101-H318 HydrophobicContact CG-CB 4.13Å; K102-H318 HydrophobicContact CB-CB 4.38Å; K102-H318 VanDerWaalsContact CB-CD2 3.43Å; K102-H318 WeakPolarHBondContact CB-CD2 3.16Å; F314-H318 WeakPolarHBondContact O-CB 3.16Å; F314-H318 PolarHBondContact O-N 3.24Å; L315-H318 PolarHBondContact O-N 3.05Å; H318-I320 PolarHBondContact O-N 3.25Å; H318-V321 PolarHBondContact O-N 2.93Å; H318-I322 WeakPolarHBondContact CE1-CD1 3.24Å; H318-I322 VanDerWaalsContact NE2-CD1 3.3Å; H318-I322 WeakPolarHBondContact NE2-CD1 3.4Å; H318-I322 PolarHBondContact O-N 3.32Å; H318-I322 VanDerWaalsContact O-N 3.12Å |
| 319 | Q | 79.3 | Confident | 78.9 | Confident | 31 Ų | 31 | 52.4 Ų | 52.4 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 179.6 | -56.9 | -44.1 | -11 | 0 | 0 | 113.1 | L315 T316 A317 V321 G380 R496 | L315-Q319 WeakPolarHBondContact O-CG 3.48Å; L315-Q319 PolarHBondContact O-N 3.25Å; T316-Q319 PolarHBondContact O-N 2.89Å; A317-Q319 PolarHBondContact O-N 3Å; Q319-V321 VanDerWaalsContact C-N 3.31Å; Q319-V321 PolarHBondContact O-N 3.46Å; Q319-G380 PolarHBondContact NE2-O 2.98Å; Q319-R496 VanDerWaalsContact CG-CZ 3.44Å; Q319-R496 VanDerWaalsContact CG-NH2 3.29Å |
| 320 | I | 81.9 | Confident | 77.8 | Confident | 40 Ų | 40 | 54.8 Ų | 54.8 | 21% | 0.205 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.6 | -33.2 | 178.7 | -62 | -63.2 | 0 | 0 | 0 | 111.4 | L80 G83 V84 T316 A317 H318 F323 | L80-I320 HydrophobicContact CD2-CD1 3.97Å; L80-I320 HydrophobicContact CD2-CG1 4.15Å; G83-I320 VanDerWaalsContact C-CG2 3.4Å; V84-I320 HydrophobicContact CG2-CG2 4.02Å; T316-I320 WeakPolarHBondContact O-CG1 3.45Å; T316-I320 PolarHBondContact O-N 2.77Å; T316-I320 VanDerWaalsContact O-N 3.16Å; A317-I320 PolarHBondContact O-N 3.07Å; H318-I320 PolarHBondContact O-N 3.25Å; I320-F323 WeakPolarHBondContact O-CB 3.49Å; I320-F323 PolarHBondContact O-N 3.33Å |
| 321 | V | 84.9 | Confident | 76.6 | Confident | 19 Ų | 19 | 58 Ų | 58 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74 | -36.4 | -179.7 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | L86 F93 L98 L101 A317 H318 Q319 F323 | L86-V321 HydrophobicContact CB-CG2 3.66Å; L86-V321 HydrophobicContact CD1-CG2 4.23Å; F93-V321 HydrophobicContact CB-CG1 4.33Å; F93-V321 HydrophobicContact CD1-CG1 4.43Å; F93-V321 HydrophobicContact CD2-CG1 3.29Å; F93-V321 HydrophobicContact CE2-CG1 3.63Å; F93-V321 HydrophobicContact CG-CG1 3.77Å; F93-V321 HydrophobicContact CZ-CG1 4.35Å; L98-V321 HydrophobicContact CD2-CB 4.33Å; L98-V321 HydrophobicContact CD2-CG1 3.65Å; L101-V321 HydrophobicContact CD2-CB 4.2Å; L101-V321 HydrophobicContact CD2-CG2 3.88Å; A317-V321 WeakPolarHBondContact O-CG2 3.44Å; A317-V321 PolarHBondContact O-N 2.8Å; A317-V321 VanDerWaalsContact O-N 3.17Å; H318-V321 PolarHBondContact O-N 2.93Å; Q319-V321 VanDerWaalsContact C-N 3.31Å; Q319-V321 PolarHBondContact O-N 3.46Å; V321-F323 PolarHBondContact O-N 2.97Å |
| 322 | I | 76.3 | Confident | 75.5 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 41% | 0.41 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.1 | -21 | 176.1 | -74.5 | -169.6 | 0 | 0 | 0 | 112.3 | L98 H318 K324 | L98-I322 HydrophobicContact CD1-CG1 4.27Å; L98-I322 HydrophobicContact CD2-CG1 4.16Å; H318-I322 WeakPolarHBondContact CE1-CD1 3.24Å; H318-I322 VanDerWaalsContact NE2-CD1 3.3Å; H318-I322 WeakPolarHBondContact NE2-CD1 3.4Å; H318-I322 PolarHBondContact O-N 3.32Å; H318-I322 VanDerWaalsContact O-N 3.12Å; I322-K324 PolarHBondContact O-N 2.96Å |
| 323 | F | 64.7 | Low | 75.2 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 23% | 0.232 | 30% | 0.295 | C | S | . | . | trans | -66.8 | 97.8 | -179.9 | -169.7 | -127.1 | 0 | 0 | 0 | 111.8 | R87 I320 V321 P326 W492 | R87-F323 VanDerWaalsContact CZ-O 3.29Å; R87-F323 PolarHBondContact NE-O 3.5Å; R87-F323 PolarHBondContact NH2-O 3.46Å; I320-F323 WeakPolarHBondContact O-CB 3.49Å; I320-F323 PolarHBondContact O-N 3.33Å; V321-F323 PolarHBondContact O-N 2.97Å; F323-P326 HydrophobicContact CE1-CG 3.7Å; F323-P326 HydrophobicContact CE2-CG 3.62Å; F323-P326 HydrophobicContact CZ-CG 3.16Å; F323-W492 HydrophobicContact CB-CH2 4.13Å; F323-W492 HydrophobicContact CB-CZ2 4.05Å; F323-W492 HydrophobicContact CD1-CZ2 4.37Å; F323-W492 HydrophobicContact CD2-CD2 4.47Å; F323-W492 AromaticContact CD2-CE2 3.28Å; F323-W492 AromaticContact CD2-CH2 3.84Å; F323-W492 HydrophobicContact CD2-CH2 3.84Å; F323-W492 AromaticContact CD2-CZ2 2.92Å; F323-W492 HydrophobicContact CD2-CZ2 2.92Å; F323-W492 AromaticContact CD2-NE1 3.43Å; F323-W492 AromaticContact CE2-CE2 3.53Å; F323-W492 HydrophobicContact CE2-CH2 4.37Å; F323-W492 AromaticContact CE2-CZ2 3.2Å; F323-W492 HydrophobicContact CE2-CZ2 3.2Å; F323-W492 AromaticContact CE2-NE1 3.38Å; F323-W492 HydrophobicContact CG-CH2 4.05Å; F323-W492 AromaticContact CG-CZ2 3.55Å; F323-W492 HydrophobicContact CG-CZ2 3.55Å; F323-W492 HydrophobicContact CZ-CZ2 4.03Å | ||
| 324 | K | 64 | Low | 74.8 | Confident | 184 Ų | 184 | 61.7 Ų | 61.7 | 80% | 0.8 | 30% | 0.302 | S | S | * | . | trans | -63.4 | 133.4 | 171.5 | -68.2 | -177.4 | 178.1 | 178.6 | 0 | 109.3 | I322 P326 | I322-K324 PolarHBondContact O-N 2.96Å; K324-P326 WeakPolarHBondContact O-CD 3.27Å; K324-P326 WeakPolarHBondContact O-CG 3.34Å; K324-P326 VanDerWaalsContact O-N 3.11Å | ||
| 325 | D | 60.5 | Low | 74.5 | Confident | 126 Ų | 126 | 58.9 Ų | 58.9 | 67% | 0.674 | 29% | 0.291 | S | S | * | . | trans | -50.8 | 110.8 | 179.5 | -83.4 | -48.4 | 0 | 0 | 0 | 112.8 | R87 | R87-D325 IonicContact CZ-OD1 3.98Å; R87-D325 IonicContact NE-OD1 3.39Å; R87-D325 IonicContact NH1-OD1 2.81Å; R87-D325 VanDerWaalsContact NH2-CA 3.34Å; R87-D325 VanDerWaalsContact NH2-CG 3.34Å; R87-D325 IonicContact NH2-OD1 3.71Å; R87-D325 PolarHBondContact NH2-OD1 3.23Å; R87-D325 IonicContact NH2-OD2 3.15Å | ||
| 326 | P | 53.4 | Low | 74.6 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 16% | 0.156 | 29% | 0.29 | C | S | . | . | trans | -109.7 | 31.4 | -174.8 | 32.3 | -16.2 | 0 | 0 | 0 | 111.5 | F323 K324 K328 E329 L330 | F323-P326 HydrophobicContact CE1-CG 3.7Å; F323-P326 HydrophobicContact CE2-CG 3.62Å; F323-P326 HydrophobicContact CZ-CG 3.16Å; K324-P326 WeakPolarHBondContact O-CD 3.27Å; K324-P326 WeakPolarHBondContact O-CG 3.34Å; K324-P326 VanDerWaalsContact O-N 3.11Å; P326-K328 PolarHBondContact O-N 2.89Å; P326-E329 HydrophobicContact CB-CB 4.38Å; P326-E329 PolarHBondContact O-N 2.97Å; P326-E329 VanDerWaalsContact O-N 3.16Å; P326-L330 HydrophobicContact CB-CB 4.49Å; P326-L330 WeakPolarHBondContact O-CA 3.38Å; P326-L330 WeakPolarHBondContact O-CB 3.06Å; P326-L330 PolarHBondContact O-N 3.42Å | ||
| 327 | V | 61.9 | Low | 74.8 | Confident | 104 Ų | 104 | 59.4 Ų | 59.4 | 63% | 0.63 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -55.4 | -33.8 | -174.5 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | Q331 | V327-Q331 WeakPolarHBondContact O-CG 3.46Å |
| 328 | K | 57.5 | Low | 74.9 | Confident | 150 Ų | 150 | 63 Ų | 63 | 65% | 0.652 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -80.9 | -41 | 177.4 | -158.8 | 178.7 | -178.8 | -175.7 | 0 | 113.8 | P326 | P326-K328 PolarHBondContact O-N 2.89Å |
| 329 | E | 62.4 | Low | 75.3 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 36% | 0.355 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -75 | -33.9 | 178 | -65.2 | -51.2 | 133.5 | 0 | 0 | 112.5 | P326 Q331 R332 L333 | P326-E329 HydrophobicContact CB-CB 4.38Å; P326-E329 PolarHBondContact O-N 2.97Å; P326-E329 VanDerWaalsContact O-N 3.16Å; E329-Q331 VanDerWaalsContact C-N 3.34Å; E329-Q331 PolarHBondContact O-N 3.42Å; E329-R332 PolarHBondContact O-N 3.31Å; E329-R332 IonicContact OE1-NH1 2.64Å; E329-L333 PolarHBondContact O-N 3.42Å |
| 330 | L | 67 | Low | 76.1 | Confident | 66 Ų | 66 | 61 Ų | 61 | 35% | 0.346 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 177.6 | -177.3 | 61.4 | 0 | 0 | 0 | 110.1 | P326 R332 L333 V334 M337 | P326-L330 HydrophobicContact CB-CB 4.49Å; P326-L330 WeakPolarHBondContact O-CA 3.38Å; P326-L330 WeakPolarHBondContact O-CB 3.06Å; P326-L330 PolarHBondContact O-N 3.42Å; L330-R332 PolarHBondContact O-N 3.02Å; L330-L333 CarbonylContact O-C 3.45Å; L330-L333 PolarHBondContact O-N 3.49Å; L330-V334 HydrophobicContact CD1-CG2 4.35Å; L330-V334 HydrophobicContact CG-CG2 4.04Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 3.3Å; L330-M337 HydrophobicContact CD1-CE 4.3Å; L330-M337 HydrophobicContact CD1-SD 3.31Å; L330-M337 WeakPolarHBondContact CD1-SD 3.48Å |
| 331 | Q | 69 | Low | 76.8 | Confident | 145 Ų | 145 | 60.6 Ų | 60.6 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -52 | -40.5 | 177.9 | -79.6 | 178.5 | -7.4 | 0 | 0 | 112.6 | V327 E329 | V327-Q331 WeakPolarHBondContact O-CG 3.46Å; E329-Q331 VanDerWaalsContact C-N 3.34Å; E329-Q331 PolarHBondContact O-N 3.42Å |
| 332 | R | 69.2 | Low | 77.4 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 21% | 0.208 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74.1 | -33 | 179.7 | -63.6 | 175.7 | 174.2 | 172.9 | -9.1 | 112.7 | D173 E329 L330 | D173-R332 IonicContact OD2-NH2 3.25Å; D173-R332 PolarHBondContact OD2-NH2 2.9Å; E329-R332 PolarHBondContact O-N 3.31Å; E329-R332 IonicContact OE1-NH1 2.64Å; L330-R332 PolarHBondContact O-N 3.02Å |
| 333 | L | 82.8 | Confident | 78.4 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -100 | -0.1 | -174.7 | -61.9 | 171.9 | 0 | 0 | 0 | 113.8 | E329 L330 G335 Y336 M337 Y431 L486 P489 V490 | E329-L333 PolarHBondContact O-N 3.42Å; L330-L333 CarbonylContact O-C 3.45Å; L330-L333 PolarHBondContact O-N 3.49Å; L333-G335 VanDerWaalsContact C-N 3.32Å; L333-G335 PolarHBondContact O-N 3.23Å; L333-Y336 PolarHBondContact O-N 2.91Å; L333-M337 WeakPolarHBondContact O-CG 3.46Å; L333-M337 PolarHBondContact O-N 3.42Å; L333-Y431 HydrophobicContact CD2-CE1 4.24Å; L333-L486 VanDerWaalsContact CD1-O 3.28Å; L333-L486 WeakPolarHBondContact CD1-O 3.44Å; L333-L486 HydrophobicContact CD2-CD1 4.2Å; L333-L486 HydrophobicContact CD2-CG 4.04Å; L333-L486 WeakPolarHBondContact CD2-O 3.39Å; L333-P489 HydrophobicContact CD1-CB 4.33Å; L333-P489 HydrophobicContact CD1-CG 4.44Å; L333-V490 HydrophobicContact CB-CG1 4.09Å; L333-V490 HydrophobicContact CD1-CG1 3.67Å; L333-V490 HydrophobicContact CD1-CG2 4.13Å |
| 334 | V | 85 | Confident | 80 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 33% | 0.327 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.1 | -47.3 | -177.5 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | L330 Y336 M337 I338 | L330-V334 HydrophobicContact CD1-CG2 4.35Å; L330-V334 HydrophobicContact CG-CG2 4.04Å; L330-V334 WeakPolarHBondContact O-CG2 3.44Å; L330-V334 PolarHBondContact O-N 3.3Å; V334-Y336 PolarHBondContact O-N 3.24Å; V334-M337 PolarHBondContact O-N 3.13Å; V334-I338 HydrophobicContact CG1-CD1 3.45Å; V334-I338 VanDerWaalsContact CG1-CD1 3.45Å; V334-I338 HydrophobicContact CG1-CG1 4.07Å; V334-I338 WeakPolarHBondContact O-CB 3.36Å; V334-I338 VanDerWaalsContact O-CG1 3.27Å; V334-I338 WeakPolarHBondContact O-CG1 3.5Å; V334-I338 PolarHBondContact O-N 3.17Å |
| 335 | G | 89.2 | Confident | 81.6 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.4 | -49.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | P167 L333 M337 I338 T339 | P167-G335 VanDerWaalsContact CB-C 3.41Å; L333-G335 VanDerWaalsContact C-N 3.32Å; L333-G335 PolarHBondContact O-N 3.23Å; G335-M337 PolarHBondContact O-N 3.27Å; G335-I338 PolarHBondContact O-N 2.92Å; G335-T339 PolarHBondContact O-N 3.03Å; G335-T339 PolarHBondContact O-OG1 2.87Å |
| 336 | Y | 91.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.4 | -49.6 | 176.3 | 169.7 | -109.7 | 0 | 0 | 0 | 112.3 | L333 V334 I338 T339 V340 Y424 V427 A428 Y431 I487 V490 L494 | L333-Y336 PolarHBondContact O-N 2.91Å; V334-Y336 PolarHBondContact O-N 3.24Å; Y336-I338 PolarHBondContact O-N 3.31Å; Y336-T339 PolarHBondContact O-N 3.47Å; Y336-V340 HydrophobicContact CD2-CG2 4.09Å; Y336-V340 HydrophobicContact CE1-CG2 4.36Å; Y336-V340 HydrophobicContact CE2-CG2 3.52Å; Y336-V340 WeakPolarHBondContact O-CG2 3.37Å; Y336-V340 PolarHBondContact O-N 2.9Å; Y336-Y424 VanDerWaalsContact OH-CD2 3.27Å; Y336-Y424 WeakPolarHBondContact OH-CD2 3.28Å; Y336-Y424 WeakPolarHBondContact OH-CE2 3.37Å; Y336-V427 HydrophobicContact CD2-CG1 4.11Å; Y336-V427 HydrophobicContact CE2-CG1 3.97Å; Y336-A428 HydrophobicContact CE2-CB 4Å; Y336-Y431 AromaticContact CD2-CD1 3.63Å; Y336-Y431 HydrophobicContact CD2-CD1 3.63Å; Y336-Y431 HydrophobicContact CD2-CD2 4.36Å; Y336-Y431 HydrophobicContact CD2-CE1 4.29Å; Y336-Y431 AromaticContact CD2-CG 3.66Å; Y336-Y431 HydrophobicContact CD2-CG 3.66Å; Y336-Y431 HydrophobicContact CE2-CD1 4.31Å; Y336-Y431 AromaticContact CG-CD1 3.86Å; Y336-Y431 HydrophobicContact CG-CD1 3.86Å; Y336-Y431 HydrophobicContact CG-CE1 4.05Å; Y336-Y431 HydrophobicContact CG-CG 4.12Å; Y336-I487 HydrophobicContact CD1-CB 4.45Å; Y336-I487 HydrophobicContact CD1-CG2 4.03Å; Y336-I487 HydrophobicContact CE1-CB 3.85Å; Y336-I487 HydrophobicContact CE1-CG2 3.77Å; Y336-I487 HydrophobicContact CE2-CG2 4.43Å; Y336-I487 HydrophobicContact CG-CG2 4.45Å; Y336-V490 HydrophobicContact CD1-CG2 3.93Å; Y336-V490 HydrophobicContact CE1-CG2 3.8Å; Y336-L494 HydrophobicContact CD1-CD1 4.35Å; Y336-L494 HydrophobicContact CE1-CD1 3.56Å |
| 337 | M | 90.9 | Very high | 85.6 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 12% | 0.123 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 178.1 | -73.5 | -173.9 | 70.1 | 0 | 0 | 112 | L330 L333 V334 G335 T339 V340 L341 V490 F493 | L330-M337 HydrophobicContact CD1-CE 4.3Å; L330-M337 HydrophobicContact CD1-SD 3.31Å; L330-M337 WeakPolarHBondContact CD1-SD 3.48Å; L333-M337 WeakPolarHBondContact O-CG 3.46Å; L333-M337 PolarHBondContact O-N 3.42Å; V334-M337 PolarHBondContact O-N 3.13Å; G335-M337 PolarHBondContact O-N 3.27Å; M337-T339 VanDerWaalsContact C-N 3.33Å; M337-T339 PolarHBondContact O-N 3.31Å; M337-V340 PolarHBondContact O-N 3.14Å; M337-L341 VanDerWaalsContact O-CB 3.25Å; M337-L341 WeakPolarHBondContact O-CB 3.16Å; M337-L341 WeakPolarHBondContact O-CG 3.34Å; M337-L341 PolarHBondContact O-N 2.92Å; M337-V490 HydrophobicContact CE-CB 4.44Å; M337-V490 HydrophobicContact CE-CG1 4.48Å; M337-V490 HydrophobicContact CG-CB 3.91Å; M337-V490 HydrophobicContact CG-CG1 3.98Å; M337-V490 HydrophobicContact CG-CG2 3.98Å; M337-V490 HydrophobicContact SD-CB 3.77Å; M337-V490 HydrophobicContact SD-CG1 3.39Å; M337-V490 WeakPolarHBondContact SD-CG1 3.35Å; M337-V490 HydrophobicContact SD-CG2 4.45Å; M337-F493 HydrophobicContact CE-CD1 3.6Å; M337-F493 HydrophobicContact CE-CE1 3.92Å |
| 338 | I | 93 | Very high | 87.3 | Confident | 75 Ų | 75 | 42.9 Ų | 42.9 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61 | -44.5 | 177.5 | -72.2 | 174.1 | 0 | 0 | 0 | 110.1 | V334 G335 Y336 S342 | V334-I338 HydrophobicContact CG1-CD1 3.45Å; V334-I338 VanDerWaalsContact CG1-CD1 3.45Å; V334-I338 HydrophobicContact CG1-CG1 4.07Å; V334-I338 WeakPolarHBondContact O-CB 3.36Å; V334-I338 VanDerWaalsContact O-CG1 3.27Å; V334-I338 WeakPolarHBondContact O-CG1 3.5Å; V334-I338 PolarHBondContact O-N 3.17Å; G335-I338 PolarHBondContact O-N 2.92Å; Y336-I338 PolarHBondContact O-N 3.31Å; I338-S342 WeakPolarHBondContact O-CB 3.43Å; I338-S342 PolarHBondContact O-N 2.93Å; I338-S342 PolarHBondContact O-OG 2.97Å |
| 339 | T | 96 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -49.6 | 179 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | L161 V162 I165 P167 G335 Y336 M337 S342 G343 V427 | L161-T339 HydrophobicContact CB-CG2 4.05Å; V162-T339 HydrophobicContact CB-CG2 4.06Å; I165-T339 HydrophobicContact CD1-CG2 4.28Å; P167-T339 HydrophobicContact CG-CG2 4.44Å; P167-T339 WeakPolarHBondContact CG-OG1 3.42Å; G335-T339 PolarHBondContact O-N 3.03Å; G335-T339 PolarHBondContact O-OG1 2.87Å; Y336-T339 PolarHBondContact O-N 3.47Å; M337-T339 VanDerWaalsContact C-N 3.33Å; M337-T339 PolarHBondContact O-N 3.31Å; T339-S342 PolarHBondContact O-N 2.95Å; T339-G343 PolarHBondContact O-N 3.21Å; T339-V427 HydrophobicContact CG2-CG1 3.62Å; T339-V427 HydrophobicContact CG2-CG2 4.27Å |
| 340 | V | 96.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -49.2 | 178.5 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | Y336 M337 S342 G343 L344 Y424 V427 L494 | Y336-V340 HydrophobicContact CD2-CG2 4.09Å; Y336-V340 HydrophobicContact CE1-CG2 4.36Å; Y336-V340 HydrophobicContact CE2-CG2 3.52Å; Y336-V340 WeakPolarHBondContact O-CG2 3.37Å; Y336-V340 PolarHBondContact O-N 2.9Å; M337-V340 PolarHBondContact O-N 3.14Å; V340-S342 VanDerWaalsContact C-N 3.34Å; V340-S342 PolarHBondContact O-N 3.05Å; V340-G343 PolarHBondContact O-N 2.95Å; V340-L344 HydrophobicContact CG1-CD1 3.81Å; V340-L344 HydrophobicContact CG1-CG 4.18Å; V340-L344 WeakPolarHBondContact O-CG 3.5Å; V340-L344 PolarHBondContact O-N 2.85Å; V340-Y424 HydrophobicContact CG1-CD2 4.11Å; V340-Y424 HydrophobicContact CG2-CD2 4.36Å; V340-V427 HydrophobicContact CG2-CB 4.05Å; V340-V427 HydrophobicContact CG2-CG1 3.6Å; V340-L494 HydrophobicContact CB-CD1 4.26Å; V340-L494 HydrophobicContact CB-CD2 4.2Å; V340-L494 HydrophobicContact CG1-CD1 4.16Å; V340-L494 HydrophobicContact CG1-CD2 3.92Å; V340-L494 HydrophobicContact CG1-CG 4.44Å; V340-L494 HydrophobicContact CG2-CD1 4.33Å |
| 341 | L | 96.6 | Very high | 92.4 | Very high | 32 Ų | 32 | 41.3 Ų | 41.3 | 17% | 0.168 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | -179 | -70.3 | 171.2 | 0 | 0 | 0 | 111.6 | M337 G343 L344 F345 F493 L494 I497 | M337-L341 VanDerWaalsContact O-CB 3.25Å; M337-L341 WeakPolarHBondContact O-CB 3.16Å; M337-L341 WeakPolarHBondContact O-CG 3.34Å; M337-L341 PolarHBondContact O-N 2.92Å; L341-G343 VanDerWaalsContact C-N 3.31Å; L341-G343 PolarHBondContact O-N 2.83Å; L341-L344 PolarHBondContact O-N 3.33Å; L341-F345 HydrophobicContact CB-CD2 4.22Å; L341-F345 HydrophobicContact CB-CE2 4.12Å; L341-F345 HydrophobicContact CD2-CE2 4.42Å; L341-F345 WeakPolarHBondContact O-CB 3.28Å; L341-F345 WeakPolarHBondContact O-CD2 3.48Å; L341-F345 WeakPolarHBondContact O-CG 3.31Å; L341-F345 PolarHBondContact O-N 2.03Å; L341-F493 HydrophobicContact CD1-CE1 4.04Å; L341-F493 HydrophobicContact CD2-CE1 3.96Å; L341-L494 HydrophobicContact CD2-CD2 3.83Å; L341-L494 HydrophobicContact CG-CD2 3.87Å; L341-I497 HydrophobicContact CD2-CB 4.48Å; L341-I497 HydrophobicContact CD2-CG1 4.11Å; L341-I497 HydrophobicContact CD2-CG2 4.4Å |
| 342 | S | 97.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 34.4 Ų | 34.4 | 29% | 0.287 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 176.9 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | I338 T339 V340 F345 I346 | I338-S342 WeakPolarHBondContact O-CB 3.43Å; I338-S342 PolarHBondContact O-N 2.93Å; I338-S342 PolarHBondContact O-OG 2.97Å; T339-S342 PolarHBondContact O-N 2.95Å; V340-S342 VanDerWaalsContact C-N 3.34Å; V340-S342 PolarHBondContact O-N 3.05Å; S342-F345 PolarHBondContact O-N 3.32Å; S342-I346 WeakPolarHBondContact O-CB 3.5Å; S342-I346 WeakPolarHBondContact O-CD1 3.13Å; S342-I346 VanDerWaalsContact O-CG1 3.25Å; S342-I346 WeakPolarHBondContact O-CG1 3.26Å; S342-I346 PolarHBondContact O-N 3.36Å |
| 343 | G | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.3 | -48.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | T339 V340 L341 F345 I346 H347 | T339-G343 PolarHBondContact O-N 3.21Å; V340-G343 PolarHBondContact O-N 2.95Å; L341-G343 VanDerWaalsContact C-N 3.31Å; L341-G343 PolarHBondContact O-N 2.83Å; G343-F345 PolarHBondContact O-N 2.93Å; G343-I346 PolarHBondContact O-N 3.04Å; G343-H347 VanDerWaalsContact O-CB 3.25Å; G343-H347 WeakPolarHBondContact O-CB 3.45Å; G343-H347 PolarHBondContact O-N 3.16Å |
| 344 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.7 | -37.2 | 176.4 | -68.5 | 177.2 | 0 | 0 | 0 | 112.2 | V340 L341 A348 G420 L423 I497 R498 V501 | V340-L344 HydrophobicContact CG1-CD1 3.81Å; V340-L344 HydrophobicContact CG1-CG 4.18Å; V340-L344 WeakPolarHBondContact O-CG 3.5Å; V340-L344 PolarHBondContact O-N 2.85Å; L341-L344 PolarHBondContact O-N 3.33Å; L344-A348 WeakPolarHBondContact O-CB 3.25Å; L344-A348 PolarHBondContact O-N 2.73Å; L344-G420 VanDerWaalsContact CD2-CA 3.46Å; L344-L423 HydrophobicContact CD2-CD2 4.4Å; L344-L423 HydrophobicContact CG-CD2 4.44Å; L344-I497 HydrophobicContact CB-CG2 4.14Å; L344-I497 HydrophobicContact CD1-CB 4.02Å; L344-I497 HydrophobicContact CD1-CG2 3.77Å; L344-R498 HydrophobicContact CD1-CB 4.4Å; L344-V501 HydrophobicContact CB-CG2 4.19Å; L344-V501 HydrophobicContact CD2-CB 4.41Å; L344-V501 HydrophobicContact CD2-CG2 4.29Å |
| 345 | F | 98.1 | Very high | 96.4 | Very high | 98 Ų | 98 | 34 Ų | 34 | 43% | 0.43 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -74.6 | -42.7 | 178.2 | -74.8 | -50.5 | 0 | 0 | 0 | 113.5 | L341 S342 G343 H347 A348 F349 | L341-F345 HydrophobicContact CB-CD2 4.22Å; L341-F345 HydrophobicContact CB-CE2 4.12Å; L341-F345 HydrophobicContact CD2-CE2 4.42Å; L341-F345 WeakPolarHBondContact O-CB 3.28Å; L341-F345 WeakPolarHBondContact O-CD2 3.48Å; L341-F345 WeakPolarHBondContact O-CG 3.31Å; L341-F345 PolarHBondContact O-N 2.03Å; S342-F345 PolarHBondContact O-N 3.32Å; G343-F345 PolarHBondContact O-N 2.93Å; F345-H347 VanDerWaalsContact C-N 3.3Å; F345-A348 PolarHBondContact O-N 3.14Å; F345-F349 HydrophobicContact CB-CD2 4.29Å; F345-F349 AromaticContact CD1-CD2 3.86Å; F345-F349 HydrophobicContact CD1-CD2 3.86Å; F345-F349 AromaticContact CD1-CE2 3.52Å; F345-F349 HydrophobicContact CD1-CE2 3.52Å; F345-F349 HydrophobicContact CE1-CE2 4.01Å; F345-F349 VanDerWaalsContact O-CB 3.32Å; F345-F349 WeakPolarHBondContact O-CB 3.37Å; F345-F349 WeakPolarHBondContact O-CD2 3.5Å; F345-F349 PolarHBondContact O-N 3.15Å |
| 346 | I | 98.4 | Very high | 96.8 | Very high | 68 Ų | 68 | 33.9 Ų | 33.9 | 35% | 0.349 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 174.5 | -69.2 | 163.2 | 0 | 0 | 0 | 108.9 | E157 L161 S342 G343 A348 V350 V351 | E157-I346 WeakPolarHBondContact OE1-CB 3.45Å; E157-I346 WeakPolarHBondContact OE1-CG2 3.34Å; L161-I346 HydrophobicContact CD1-CD1 4.25Å; L161-I346 HydrophobicContact CD2-CD1 4.22Å; S342-I346 WeakPolarHBondContact O-CB 3.5Å; S342-I346 WeakPolarHBondContact O-CD1 3.13Å; S342-I346 VanDerWaalsContact O-CG1 3.25Å; S342-I346 WeakPolarHBondContact O-CG1 3.26Å; S342-I346 PolarHBondContact O-N 3.36Å; G343-I346 PolarHBondContact O-N 3.04Å; I346-A348 PolarHBondContact O-N 2.93Å; I346-V350 HydrophobicContact CG2-CB 4.28Å; I346-V350 HydrophobicContact CG2-CG2 4.38Å; I346-V350 VanDerWaalsContact O-CA 3.3Å; I346-V350 WeakPolarHBondContact O-CA 3.46Å; I346-V350 WeakPolarHBondContact O-CB 3.28Å; I346-V350 PolarHBondContact O-N 3.46Å; I346-V351 PolarHBondContact O-N 2.87Å; I346-V351 VanDerWaalsContact O-N 3.11Å |
| 347 | H | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -59.4 | -49.5 | 175.4 | -156.5 | 72.7 | 0 | 0 | 0 | 112.6 | E157 G343 F345 V351 L352 D419 | E157-H347 PolarHBondContact OE1-N 2.73Å; E157-H347 WeakPolarHBondContact OE2-CB 3.48Å; E157-H347 IonicContact OE2-CG 3.96Å; E157-H347 IonicContact OE2-ND1 3.91Å; E157-H347 PolarHBondContact OE2-ND1 3.25Å; G343-H347 VanDerWaalsContact O-CB 3.25Å; G343-H347 WeakPolarHBondContact O-CB 3.45Å; G343-H347 PolarHBondContact O-N 3.16Å; F345-H347 VanDerWaalsContact C-N 3.3Å; H347-V351 PolarHBondContact O-N 3.25Å; H347-L352 WeakPolarHBondContact O-CG 3.36Å; H347-L352 PolarHBondContact O-N 2.93Å; H347-D419 IonicContact NE2-OD2 3.25Å |
| 348 | A | 97.9 | Very high | 97.3 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -72.8 | -33.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | L344 F345 I346 P353 V501 F504 | L344-A348 WeakPolarHBondContact O-CB 3.25Å; L344-A348 PolarHBondContact O-N 2.73Å; F345-A348 PolarHBondContact O-N 3.14Å; I346-A348 PolarHBondContact O-N 2.93Å; A348-P353 WeakPolarHBondContact O-CD 3.35Å; A348-P353 WeakPolarHBondContact O-CG 3.47Å; A348-V501 HydrophobicContact CB-CG2 3.97Å; A348-F504 HydrophobicContact CB-CD1 4.41Å; A348-F504 WeakPolarHBondContact O-CE1 3.46Å |
| 349 | F | 97.6 | Very high | 97.5 | Very high | 148 Ų | 148 | 42.8 Ų | 42.8 | 65% | 0.649 | 23% | 0.23 | S | C | * | . | I | π-helix | trans | -105.3 | -16 | -174.3 | -68.6 | -67.5 | 0 | 0 | 0 | 114.1 | F345 | F345-F349 HydrophobicContact CB-CD2 4.29Å; F345-F349 AromaticContact CD1-CD2 3.86Å; F345-F349 HydrophobicContact CD1-CD2 3.86Å; F345-F349 AromaticContact CD1-CE2 3.52Å; F345-F349 HydrophobicContact CD1-CE2 3.52Å; F345-F349 HydrophobicContact CE1-CE2 4.01Å; F345-F349 VanDerWaalsContact O-CB 3.32Å; F345-F349 WeakPolarHBondContact O-CB 3.37Å; F345-F349 WeakPolarHBondContact O-CD2 3.5Å; F345-F349 PolarHBondContact O-N 3.15Å |
| 350 | V | 97.7 | Very high | 97.5 | Very high | 81 Ų | 81 | 42.8 Ų | 42.8 | 49% | 0.491 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -116.8 | -61.5 | 179.9 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | I346 S354 | I346-V350 HydrophobicContact CG2-CB 4.28Å; I346-V350 HydrophobicContact CG2-CG2 4.38Å; I346-V350 VanDerWaalsContact O-CA 3.3Å; I346-V350 WeakPolarHBondContact O-CA 3.46Å; I346-V350 WeakPolarHBondContact O-CB 3.28Å; I346-V350 PolarHBondContact O-N 3.46Å; V350-S354 WeakPolarHBondContact O-CB 3.4Å; V350-S354 PolarHBondContact O-N 3.37Å; V350-S354 PolarHBondContact O-OG 3.01Å |
| 351 | V | 97.9 | Very high | 97.4 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -66.5 | -58.2 | -170.4 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | L153 I346 H347 S354 L355 | L153-V351 HydrophobicContact CB-CG1 4.45Å; L153-V351 HydrophobicContact CD1-CG1 4.15Å; I346-V351 PolarHBondContact O-N 2.87Å; I346-V351 VanDerWaalsContact O-N 3.11Å; H347-V351 PolarHBondContact O-N 3.25Å; V351-S354 PolarHBondContact O-N 2.84Å; V351-L355 HydrophobicContact CG1-CD1 4.39Å; V351-L355 WeakPolarHBondContact O-CG 3.31Å; V351-L355 PolarHBondContact O-N 3.12Å |
| 352 | L | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | -177.9 | -64.5 | 172.2 | 0 | 0 | 0 | 112.6 | T150 H347 S354 L355 M356 V501 F504 L508 | T150-L352 HydrophobicContact CG2-CD2 4.06Å; H347-L352 WeakPolarHBondContact O-CG 3.36Å; H347-L352 PolarHBondContact O-N 2.93Å; L352-S354 VanDerWaalsContact C-N 3.33Å; L352-S354 PolarHBondContact O-N 3.09Å; L352-L355 PolarHBondContact O-N 3.1Å; L352-M356 PolarHBondContact O-N 3.38Å; L352-V501 HydrophobicContact CD1-CG1 4.4Å; L352-F504 HydrophobicContact CB-CD1 4.42Å; L352-F504 HydrophobicContact CB-CE1 4.12Å; L352-F504 HydrophobicContact CD1-CD1 3.72Å; L352-F504 HydrophobicContact CD1-CE1 4.25Å; L352-L508 HydrophobicContact CB-CD2 3.81Å |
| 353 | P | 97.7 | Very high | 97.2 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 11% | 0.11 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -35.5 | 174.6 | -28.2 | 40.4 | 0 | 0 | 0 | 113.5 | A348 M356 L357 P364 F504 | A348-P353 WeakPolarHBondContact O-CD 3.35Å; A348-P353 WeakPolarHBondContact O-CG 3.47Å; P353-M356 PolarHBondContact O-N 2.95Å; P353-L357 WeakPolarHBondContact O-CG 3.05Å; P353-L357 PolarHBondContact O-N 3.01Å; P353-P364 HydrophobicContact CB-CB 3.77Å; P353-P364 HydrophobicContact CB-CG 3.94Å; P353-F504 HydrophobicContact CG-CE1 4.47Å |
| 354 | S | 97.6 | Very high | 97.1 | Very high | 49 Ų | 49 | 57.3 Ų | 57.3 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 175.8 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | V350 V351 L352 M356 L357 L358 | V350-S354 WeakPolarHBondContact O-CB 3.4Å; V350-S354 PolarHBondContact O-N 3.37Å; V350-S354 PolarHBondContact O-OG 3.01Å; V351-S354 PolarHBondContact O-N 2.84Å; L352-S354 VanDerWaalsContact C-N 3.33Å; L352-S354 PolarHBondContact O-N 3.09Å; S354-M356 VanDerWaalsContact C-N 3.3Å; S354-M356 PolarHBondContact O-N 3.09Å; S354-L357 PolarHBondContact O-N 3.27Å; S354-L358 WeakPolarHBondContact O-CB 3.35Å; S354-L358 VanDerWaalsContact O-CG 3.25Å; S354-L358 WeakPolarHBondContact O-CG 3.48Å; S354-L358 PolarHBondContact O-N 3.36Å |
| 355 | L | 96.9 | Very high | 97 | Very high | 36 Ų | 36 | 63.9 Ų | 63.9 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61 | -40.4 | 174.1 | -70.1 | 173.1 | 0 | 0 | 0 | 111.8 | Y146 T150 V351 L352 L357 V359 G360 I512 | Y146-L355 HydrophobicContact CE2-CD1 4.45Å; T150-L355 HydrophobicContact CG2-CD1 3.7Å; V351-L355 HydrophobicContact CG1-CD1 4.39Å; V351-L355 WeakPolarHBondContact O-CG 3.31Å; V351-L355 PolarHBondContact O-N 3.12Å; L352-L355 PolarHBondContact O-N 3.1Å; L355-L357 PolarHBondContact O-N 3.27Å; L355-V359 WeakPolarHBondContact O-CB 3.07Å; L355-V359 PolarHBondContact O-N 3.34Å; L355-G360 PolarHBondContact O-N 3.31Å; L355-I512 HydrophobicContact CB-CD1 4Å |
| 356 | M | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.5 | -37 | 176.5 | -176.6 | 53.6 | 149.2 | 0 | 0 | 112.7 | L352 P353 S354 G360 R361 R362 P364 Y367 L508 I512 | L352-M356 PolarHBondContact O-N 3.38Å; P353-M356 PolarHBondContact O-N 2.95Å; S354-M356 VanDerWaalsContact C-N 3.3Å; S354-M356 PolarHBondContact O-N 3.09Å; M356-G360 CarbonylContact O-C 3.18Å; M356-G360 VanDerWaalsContact O-C 3.22Å; M356-G360 WeakPolarHBondContact O-CA 3.04Å; M356-G360 PolarHBondContact O-N 2.9Å; M356-R361 PolarHBondContact O-N 3.24Å; M356-R362 HydrophobicContact CE-CB 3.59Å; M356-R362 HydrophobicContact CE-CG 4.3Å; M356-R362 HydrophobicContact CG-CB 4.45Å; M356-R362 PolarHBondContact O-N 3.32Å; M356-R362 HydrophobicContact SD-CB 3.93Å; M356-P364 HydrophobicContact CB-CB 4.35Å; M356-P364 HydrophobicContact CG-CB 4.24Å; M356-Y367 HydrophobicContact CE-CD1 3.92Å; M356-Y367 HydrophobicContact CE-CD2 3.17Å; M356-Y367 HydrophobicContact CE-CE1 4.2Å; M356-Y367 HydrophobicContact CE-CE2 3.51Å; M356-Y367 HydrophobicContact CE-CG 3.38Å; M356-L508 HydrophobicContact CB-CD2 4.27Å; M356-L508 HydrophobicContact CB-CG 4.46Å; M356-I512 HydrophobicContact CB-CD1 4.48Å; M356-I512 HydrophobicContact SD-CG1 3.93Å |
| 357 | L | 97.5 | Very high | 96.8 | Very high | 95 Ų | 95 | 64 Ų | 64 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.8 | -48.5 | 175.5 | -75.8 | 169.9 | 0 | 0 | 0 | 112.2 | P353 S354 L355 R361 P364 | P353-L357 WeakPolarHBondContact O-CG 3.05Å; P353-L357 PolarHBondContact O-N 3.01Å; S354-L357 PolarHBondContact O-N 3.27Å; L355-L357 PolarHBondContact O-N 3.27Å; L357-R361 WeakPolarHBondContact O-CA 3.42Å; L357-R361 PolarHBondContact O-N 3.02Å; L357-P364 HydrophobicContact CD1-CG 4.12Å; L357-P364 HydrophobicContact CD2-CG 4.13Å; L357-P364 HydrophobicContact CG-CG 3.87Å |
| 358 | L | 97 | Very high | 96.7 | Very high | 133 Ų | 133 | 65.6 Ų | 65.6 | 70% | 0.696 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -76 | -48.4 | -172.7 | -65.6 | 173.2 | 0 | 0 | 0 | 112.3 | S354 | S354-L358 WeakPolarHBondContact O-CB 3.35Å; S354-L358 VanDerWaalsContact O-CG 3.25Å; S354-L358 WeakPolarHBondContact O-CG 3.48Å; S354-L358 PolarHBondContact O-N 3.36Å |
| 359 | V | 96.9 | Very high | 96.5 | Very high | 58 Ų | 58 | 71.3 Ų | 71.3 | 35% | 0.352 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -51.7 | -174.7 | -170.3 | 0 | 0 | 0 | 0 | 110.7 | L355 R361 I512 L516 | L355-V359 WeakPolarHBondContact O-CB 3.07Å; L355-V359 PolarHBondContact O-N 3.34Å; V359-R361 VanDerWaalsContact C-N 3.25Å; V359-R361 PolarHBondContact O-N 3.35Å; V359-I512 HydrophobicContact CB-CG2 4.07Å; V359-I512 HydrophobicContact CG1-CG2 3.69Å; V359-L516 HydrophobicContact CG1-CD1 4.18Å; V359-L516 HydrophobicContact CG1-CD2 3.83Å; V359-L516 HydrophobicContact CG1-CG 4.18Å |
| 360 | G | 95.2 | Very high | 96.3 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -68.3 | -22.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L355 M356 R362 K515 | L355-G360 PolarHBondContact O-N 3.31Å; M356-G360 CarbonylContact O-C 3.18Å; M356-G360 VanDerWaalsContact O-C 3.22Å; M356-G360 WeakPolarHBondContact O-CA 3.04Å; M356-G360 PolarHBondContact O-N 2.9Å; G360-R362 PolarHBondContact O-N 2.98Å; G360-R362 VanDerWaalsContact O-N 3.16Å; G360-K515 WeakPolarHBondContact O-CG 3.42Å |
| 361 | R | 95.2 | Very high | 96.2 | Very high | 196 Ų | 196 | 60.7 Ų | 60.7 | 74% | 0.74 | 30% | 0.296 | S | S | * | . | trans | 48.3 | 37.5 | -176.4 | -61.4 | -172.8 | 175.8 | 178.7 | -0 | 112.9 | M356 L357 V359 | M356-R361 PolarHBondContact O-N 3.24Å; L357-R361 WeakPolarHBondContact O-CA 3.42Å; L357-R361 PolarHBondContact O-N 3.02Å; V359-R361 VanDerWaalsContact C-N 3.25Å; V359-R361 PolarHBondContact O-N 3.35Å | ||
| 362 | R | 94.5 | Very high | 96 | Very high | 76 Ų | 76 | 61.7 Ų | 61.7 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -123.8 | 149.7 | 177 | -75 | -179.3 | 173.8 | -154.6 | -2.2 | 109.2 | M356 G360 P364 N399 N400 | M356-R362 HydrophobicContact CE-CB 3.59Å; M356-R362 HydrophobicContact CE-CG 4.3Å; M356-R362 HydrophobicContact CG-CB 4.45Å; M356-R362 PolarHBondContact O-N 3.32Å; M356-R362 HydrophobicContact SD-CB 3.93Å; G360-R362 PolarHBondContact O-N 2.98Å; G360-R362 VanDerWaalsContact O-N 3.16Å; R362-P364 VanDerWaalsContact O-CD 3.31Å; R362-P364 WeakPolarHBondContact O-CD 3.41Å; R362-N399 PolarHBondContact NH1-O 3.15Å; R362-N400 PolarHBondContact NH2-O 3.42Å |
| 363 | N | 96.3 | Very high | 95.6 | Very high | 95 Ų | 95 | 62 Ų | 62 | 51% | 0.508 | 30% | 0.302 | S | S | . | . | trans | -69.8 | 116.7 | 176.1 | -178.8 | -32.4 | 0 | 0 | 0 | 109.5 | L365 K366 Y367 | N363-L365 PolarHBondContact O-N 2.99Å; N363-L365 WeakPolarHBondContact OD1-CB 3.43Å; N363-L365 PolarHBondContact OD1-N 2.91Å; N363-K366 HydrophobicContact CB-CB 4.22Å; N363-K366 PolarHBondContact O-N 3.14Å; N363-K366 PolarHBondContact OD1-N 3.26Å; N363-Y367 WeakPolarHBondContact O-CB 3.44Å; N363-Y367 PolarHBondContact O-N 3.27Å; N363-Y367 VanDerWaalsContact O-N 3.07Å | ||
| 364 | P | 95.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 7% | 0.071 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.8 | -33.9 | -174.4 | 27 | -34.9 | 0 | 0 | 0 | 112.2 | P353 M356 L357 R362 Y367 T368 | P353-P364 HydrophobicContact CB-CB 3.77Å; P353-P364 HydrophobicContact CB-CG 3.94Å; M356-P364 HydrophobicContact CB-CB 4.35Å; M356-P364 HydrophobicContact CG-CB 4.24Å; L357-P364 HydrophobicContact CD1-CG 4.12Å; L357-P364 HydrophobicContact CD2-CG 4.13Å; L357-P364 HydrophobicContact CG-CG 3.87Å; R362-P364 VanDerWaalsContact O-CD 3.31Å; R362-P364 WeakPolarHBondContact O-CD 3.41Å; P364-Y367 PolarHBondContact O-N 3.4Å; P364-T368 VanDerWaalsContact O-CB 3.32Å; P364-T368 WeakPolarHBondContact O-CB 3.03Å; P364-T368 PolarHBondContact O-N 3.39Å; P364-T368 PolarHBondContact O-OG1 2.86Å |
| 365 | L | 95.1 | Very high | 95.2 | Very high | 137 Ų | 137 | 59.7 Ų | 59.7 | 72% | 0.717 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66.3 | -45.2 | 179.7 | -62.7 | 177.8 | 0 | 0 | 0 | 111.2 | N363 Y367 T368 Y369 | N363-L365 PolarHBondContact O-N 2.99Å; N363-L365 WeakPolarHBondContact OD1-CB 3.43Å; N363-L365 PolarHBondContact OD1-N 2.91Å; L365-Y367 VanDerWaalsContact C-N 3.3Å; L365-Y367 PolarHBondContact O-N 3.47Å; L365-T368 PolarHBondContact O-N 2.81Å; L365-Y369 PolarHBondContact O-N 3.01Å |
| 366 | K | 95.1 | Very high | 94.9 | Very high | 163 Ų | 163 | 59.1 Ų | 59.1 | 71% | 0.709 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.5 | -41.3 | 175.4 | -174.6 | 179.6 | 178.7 | -177.6 | 0 | 111 | N363 Y369 G370 | N363-K366 HydrophobicContact CB-CB 4.22Å; N363-K366 PolarHBondContact O-N 3.14Å; N363-K366 PolarHBondContact OD1-N 3.26Å; K366-Y369 PolarHBondContact O-N 3.32Å; K366-G370 PolarHBondContact O-N 2.85Å |
| 367 | Y | 97.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 2% | 0.02 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 178.5 | -165.4 | -87 | 0 | 0 | 0 | 111.8 | M356 N363 P364 L365 Y369 G370 I371 N399 V401 S507 L508 G511 | M356-Y367 HydrophobicContact CE-CD1 3.92Å; M356-Y367 HydrophobicContact CE-CD2 3.17Å; M356-Y367 HydrophobicContact CE-CE1 4.2Å; M356-Y367 HydrophobicContact CE-CE2 3.51Å; M356-Y367 HydrophobicContact CE-CG 3.38Å; N363-Y367 WeakPolarHBondContact O-CB 3.44Å; N363-Y367 PolarHBondContact O-N 3.27Å; N363-Y367 VanDerWaalsContact O-N 3.07Å; P364-Y367 PolarHBondContact O-N 3.4Å; L365-Y367 VanDerWaalsContact C-N 3.3Å; L365-Y367 PolarHBondContact O-N 3.47Å; Y367-Y369 VanDerWaalsContact C-N 3.32Å; Y367-Y369 PolarHBondContact O-N 3.33Å; Y367-G370 PolarHBondContact O-N 3.32Å; Y367-I371 HydrophobicContact CD1-CD1 4.31Å; Y367-I371 HydrophobicContact CE1-CD1 4.32Å; Y367-I371 HydrophobicContact CE1-CG2 4.47Å; Y367-I371 PolarHBondContact O-N 2.67Å; Y367-N399 WeakPolarHBondContact CA-OD1 3.39Å; Y367-N399 HydrophobicContact CD2-CB 3.84Å; Y367-N399 VanDerWaalsContact CD2-CG 3.49Å; Y367-N399 HydrophobicContact CE2-CB 3.52Å; Y367-N399 PolarHBondContact O-ND2 3.4Å; Y367-N399 PolarHBondContact O-OD1 3Å; Y367-V401 HydrophobicContact CE2-CG2 3.94Å; Y367-V401 WeakPolarHBondContact OH-CG2 3.47Å; Y367-S507 WeakPolarHBondContact CE1-O 3.28Å; Y367-S507 WeakPolarHBondContact CE1-OG 3.48Å; Y367-S507 PolarHBondContact OH-O 3.41Å; Y367-L508 HydrophobicContact CD1-CD1 3.63Å; Y367-L508 HydrophobicContact CD1-CG 4.27Å; Y367-L508 HydrophobicContact CE1-CD1 3.8Å; Y367-L508 HydrophobicContact CE1-CG 4.4Å; Y367-G511 PolarHBondContact OH-N 3.19Å |
| 368 | T | 96.6 | Very high | 94.1 | Very high | 35 Ų | 35 | 54.7 Ų | 54.7 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 177.8 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | P364 L365 G370 I371 L372 L375 F504 | P364-T368 VanDerWaalsContact O-CB 3.32Å; P364-T368 WeakPolarHBondContact O-CB 3.03Å; P364-T368 PolarHBondContact O-N 3.39Å; P364-T368 PolarHBondContact O-OG1 2.86Å; L365-T368 PolarHBondContact O-N 2.81Å; T368-G370 PolarHBondContact O-N 3.47Å; T368-I371 VanDerWaalsContact O-CG1 3.26Å; T368-I371 WeakPolarHBondContact O-CG1 3.45Å; T368-I371 PolarHBondContact O-N 3.38Å; T368-I371 VanDerWaalsContact O-N 3.13Å; T368-L372 PolarHBondContact O-N 3Å; T368-L375 HydrophobicContact CG2-CD1 4.03Å; T368-F504 HydrophobicContact CG2-CD2 4.48Å; T368-F504 HydrophobicContact CG2-CE2 3.72Å; T368-F504 HydrophobicContact CG2-CZ 4.37Å; T368-F504 VanDerWaalsContact OG1-CE2 3.25Å; T368-F504 WeakPolarHBondContact OG1-CE2 3.42Å; T368-F504 WeakPolarHBondContact OG1-CZ 3.11Å |
| 369 | Y | 94.4 | Very high | 93.7 | Very high | 131 Ų | 131 | 51 Ų | 51 | 51% | 0.514 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.4 | -37.5 | 175.4 | -174.6 | -95.7 | 0 | 0 | 0 | 112.4 | L69 L365 K366 Y367 I371 L372 | L69-Y369 HydrophobicContact CD2-CD1 4.37Å; L69-Y369 HydrophobicContact CD2-CD2 4.1Å; L69-Y369 HydrophobicContact CD2-CE1 3.82Å; L69-Y369 HydrophobicContact CD2-CE2 3.5Å; L365-Y369 PolarHBondContact O-N 3.01Å; K366-Y369 PolarHBondContact O-N 3.32Å; Y367-Y369 VanDerWaalsContact C-N 3.32Å; Y367-Y369 PolarHBondContact O-N 3.33Å; Y369-I371 VanDerWaalsContact C-N 3.29Å; Y369-I371 PolarHBondContact O-N 2.92Å; Y369-L372 PolarHBondContact O-N 2.71Å |
| 370 | G | 93.5 | Very high | 93 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 6% | 0.062 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.5 | -26 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | K366 Y367 T368 N398 | K366-G370 PolarHBondContact O-N 2.85Å; Y367-G370 PolarHBondContact O-N 3.32Å; T368-G370 PolarHBondContact O-N 3.47Å; G370-N398 WeakPolarHBondContact O-CB 3.3Å; G370-N398 PolarHBondContact O-ND2 2.81Å |
| 371 | I | 95.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -107.9 | 3 | -177.9 | 59.3 | 170.9 | 0 | 0 | 0 | 113.2 | Y367 T368 Y369 P373 A374 L375 C394 N399 F504 S507 L508 | Y367-I371 HydrophobicContact CD1-CD1 4.31Å; Y367-I371 HydrophobicContact CE1-CD1 4.32Å; Y367-I371 HydrophobicContact CE1-CG2 4.47Å; Y367-I371 PolarHBondContact O-N 2.67Å; T368-I371 VanDerWaalsContact O-CG1 3.26Å; T368-I371 WeakPolarHBondContact O-CG1 3.45Å; T368-I371 PolarHBondContact O-N 3.38Å; T368-I371 VanDerWaalsContact O-N 3.13Å; Y369-I371 VanDerWaalsContact C-N 3.29Å; Y369-I371 PolarHBondContact O-N 2.92Å; I371-P373 VanDerWaalsContact C-N 3.31Å; I371-A374 WeakPolarHBondContact O-CA 3.11Å; I371-A374 VanDerWaalsContact O-CB 3.31Å; I371-A374 WeakPolarHBondContact O-CB 3.41Å; I371-A374 PolarHBondContact O-N 3.32Å; I371-L375 HydrophobicContact CD1-CD1 4.33Å; I371-L375 HydrophobicContact CD1-CD2 4.43Å; I371-L375 HydrophobicContact CD1-CG 4.46Å; I371-L375 HydrophobicContact CG1-CD1 4.21Å; I371-L375 HydrophobicContact CG1-CG 4.35Å; I371-L375 PolarHBondContact O-N 2.8Å; I371-L375 VanDerWaalsContact O-N 3.07Å; I371-C394 HydrophobicContact CB-CB 4.43Å; I371-C394 HydrophobicContact CG2-CB 3.95Å; I371-N399 VanDerWaalsContact CG2-ND2 3.28Å; I371-N399 WeakPolarHBondContact CG2-ND2 3.49Å; I371-F504 HydrophobicContact CD1-CD2 3.65Å; I371-F504 HydrophobicContact CD1-CE2 3.96Å; I371-S507 VanDerWaalsContact CD1-OG 3.28Å; I371-S507 WeakPolarHBondContact CD1-OG 2.98Å; I371-S507 WeakPolarHBondContact CG2-OG 3.21Å; I371-L508 HydrophobicContact CD1-CD1 3.98Å |
| 372 | L | 92.9 | Very high | 91.9 | Very high | 50 Ų | 50 | 39.6 Ų | 39.6 | 26% | 0.262 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -53.4 | -37 | -177.9 | -173.2 | 56.5 | 0 | 0 | 0 | 114.3 | L69 V73 T368 Y369 A374 L375 L376 | L69-L372 HydrophobicContact CD1-CB 3.76Å; L69-L372 HydrophobicContact CD1-CD2 3.73Å; L69-L372 HydrophobicContact CD1-CG 3.71Å; L69-L372 HydrophobicContact CD2-CD2 4.31Å; L69-L372 HydrophobicContact CG-CD2 4.48Å; V73-L372 HydrophobicContact CG2-CD2 4.29Å; T368-L372 PolarHBondContact O-N 3Å; Y369-L372 PolarHBondContact O-N 2.71Å; L372-A374 VanDerWaalsContact C-N 3.31Å; L372-A374 PolarHBondContact O-N 2.98Å; L372-L375 PolarHBondContact O-N 3.3Å; L372-L376 HydrophobicContact CD1-CG 4.26Å; L372-L376 HydrophobicContact CG-CD1 4.29Å; L372-L376 WeakPolarHBondContact O-CG 3.41Å; L372-L376 PolarHBondContact O-N 3.2Å |
| 373 | P | 89.2 | Confident | 91.6 | Very high | 7 Ų | 7 | 36.3 Ų | 36.3 | 5% | 0.045 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.6 | -37.6 | 173.8 | -22.8 | 35.1 | 0 | 0 | 0 | 113.3 | L69 I371 T377 L390 | L69-P373 HydrophobicContact CD1-CG 3.87Å; I371-P373 VanDerWaalsContact C-N 3.31Å; P373-T377 WeakPolarHBondContact O-CB 3.29Å; P373-T377 PolarHBondContact O-N 2.8Å; P373-T377 VanDerWaalsContact O-N 3.1Å; P373-T377 PolarHBondContact O-OG1 3.44Å; P373-L390 HydrophobicContact CB-CD1 4.37Å; P373-L390 HydrophobicContact CB-CD2 4.47Å |
| 374 | A | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.3 | -44.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | I371 L372 L376 T377 A378 T387 L390 | I371-A374 WeakPolarHBondContact O-CA 3.11Å; I371-A374 VanDerWaalsContact O-CB 3.31Å; I371-A374 WeakPolarHBondContact O-CB 3.41Å; I371-A374 PolarHBondContact O-N 3.32Å; L372-A374 VanDerWaalsContact C-N 3.31Å; L372-A374 PolarHBondContact O-N 2.98Å; A374-L376 PolarHBondContact O-N 3.26Å; A374-T377 WeakPolarHBondContact O-CB 3.5Å; A374-T377 PolarHBondContact O-N 3.04Å; A374-T377 VanDerWaalsContact O-N 3.17Å; A374-A378 WeakPolarHBondContact O-CB 3.43Å; A374-A378 PolarHBondContact O-N 3.44Å; A374-T387 HydrophobicContact CB-CG2 3.96Å; A374-T387 WeakPolarHBondContact O-CG2 3.28Å; A374-L390 HydrophobicContact CB-CD2 4.48Å; A374-L390 HydrophobicContact CB-CG 4.08Å |
| 375 | L | 94.9 | Very high | 90.9 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 9% | 0.094 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 178.2 | -59.6 | -179.4 | 0 | 0 | 0 | 112.6 | T368 I371 L372 T377 A378 L379 T500 V503 F504 | T368-L375 HydrophobicContact CG2-CD1 4.03Å; I371-L375 HydrophobicContact CD1-CD1 4.33Å; I371-L375 HydrophobicContact CD1-CD2 4.43Å; I371-L375 HydrophobicContact CD1-CG 4.46Å; I371-L375 HydrophobicContact CG1-CD1 4.21Å; I371-L375 HydrophobicContact CG1-CG 4.35Å; I371-L375 PolarHBondContact O-N 2.8Å; I371-L375 VanDerWaalsContact O-N 3.07Å; L372-L375 PolarHBondContact O-N 3.3Å; L375-T377 VanDerWaalsContact C-N 3.31Å; L375-T377 PolarHBondContact O-N 2.76Å; L375-A378 PolarHBondContact O-N 3.01Å; L375-L379 WeakPolarHBondContact O-CB 3.5Å; L375-L379 PolarHBondContact O-N 3.47Å; L375-T500 HydrophobicContact CB-CG2 4.11Å; L375-T500 HydrophobicContact CD2-CG2 4.21Å; L375-V503 HydrophobicContact CD2-CG1 4.25Å; L375-F504 HydrophobicContact CD1-CD2 3.93Å; L375-F504 HydrophobicContact CD2-CB 3.76Å; L375-F504 HydrophobicContact CD2-CD2 4.1Å; L375-F504 HydrophobicContact CD2-CG 4.41Å |
| 376 | L | 89.7 | Confident | 90.4 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 13% | 0.126 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.6 | -35.6 | 176.1 | -69.2 | 172.7 | 0 | 0 | 0 | 112.2 | T72 V73 C76 L372 A374 G380 | T72-L376 HydrophobicContact CG2-CB 4.13Å; T72-L376 HydrophobicContact CG2-CD1 3.68Å; V73-L376 HydrophobicContact CG2-CD1 3.79Å; C76-L376 HydrophobicContact CB-CD2 4.28Å; L372-L376 HydrophobicContact CD1-CG 4.26Å; L372-L376 HydrophobicContact CG-CD1 4.29Å; L372-L376 WeakPolarHBondContact O-CG 3.41Å; L372-L376 PolarHBondContact O-N 3.2Å; A374-L376 PolarHBondContact O-N 3.26Å; L376-G380 PolarHBondContact O-N 3.3Å |
| 377 | T | 87 | Confident | 90.2 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.1 | -43.6 | 174.2 | -58 | 0 | 0 | 0 | 0 | 110.9 | F108 L112 P373 A374 L375 L379 G380 T381 T387 L390 | F108-T377 HydrophobicContact CE1-CG2 3.9Å; F108-T377 HydrophobicContact CZ-CG2 4.29Å; L112-T377 HydrophobicContact CD1-CG2 4.04Å; P373-T377 WeakPolarHBondContact O-CB 3.29Å; P373-T377 PolarHBondContact O-N 2.8Å; P373-T377 VanDerWaalsContact O-N 3.1Å; P373-T377 PolarHBondContact O-OG1 3.44Å; A374-T377 WeakPolarHBondContact O-CB 3.5Å; A374-T377 PolarHBondContact O-N 3.04Å; A374-T377 VanDerWaalsContact O-N 3.17Å; L375-T377 VanDerWaalsContact C-N 3.31Å; L375-T377 PolarHBondContact O-N 2.76Å; T377-L379 VanDerWaalsContact C-N 3.31Å; T377-L379 PolarHBondContact O-N 3.43Å; T377-G380 PolarHBondContact O-N 3.16Å; T377-T381 HydrophobicContact CG2-CG2 4Å; T377-T381 VanDerWaalsContact O-CB 3.28Å; T377-T381 WeakPolarHBondContact O-CB 3.5Å; T377-T381 WeakPolarHBondContact O-CG2 3.33Å; T377-T381 PolarHBondContact O-N 2.97Å; T377-T381 PolarHBondContact O-OG1 2.97Å; T377-T387 HydrophobicContact CG2-CG2 4.14Å; T377-L390 HydrophobicContact CG2-CD2 4.29Å; T377-L390 VanDerWaalsContact OG1-CD2 3.24Å; T377-L390 WeakPolarHBondContact OG1-CD2 3.41Å |
| 378 | A | 91 | Very high | 89.9 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A374 L375 T381 S382 T387 T499 V503 | A374-A378 WeakPolarHBondContact O-CB 3.43Å; A374-A378 PolarHBondContact O-N 3.44Å; L375-A378 PolarHBondContact O-N 3.01Å; A378-T381 PolarHBondContact O-N 3.41Å; A378-S382 VanDerWaalsContact O-CA 3.31Å; A378-S382 WeakPolarHBondContact O-CA 3.25Å; A378-S382 PolarHBondContact O-N 3.28Å; A378-T387 HydrophobicContact CB-CG2 4.29Å; A378-T387 PolarHBondContact N-OG1 2.96Å; A378-T499 HydrophobicContact CB-CG2 4.3Å; A378-V503 HydrophobicContact CB-CB 4.1Å; A378-V503 HydrophobicContact CB-CG1 4.38Å; A378-V503 HydrophobicContact CB-CG2 3.83Å |
| 379 | L | 89.7 | Confident | 89.6 | Confident | 56 Ų | 56 | 16.3 Ų | 16.3 | 29% | 0.293 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 176.9 | -175.3 | 68.7 | 0 | 0 | 0 | 112.6 | L375 T377 R496 I497 T500 | L375-L379 WeakPolarHBondContact O-CB 3.5Å; L375-L379 PolarHBondContact O-N 3.47Å; T377-L379 VanDerWaalsContact C-N 3.31Å; T377-L379 PolarHBondContact O-N 3.43Å; L379-R496 HydrophobicContact CD1-CB 3.96Å; L379-R496 PolarHBondContact O-NH1 3.39Å; L379-R496 VanDerWaalsContact O-NH1 3.13Å; L379-I497 HydrophobicContact CD1-CD1 3.79Å; L379-T500 WeakPolarHBondContact CA-OG1 3.27Å; L379-T500 PolarHBondContact N-OG1 3.23Å |
| 380 | G | 81.2 | Confident | 89.4 | Confident | 3 Ų | 3 | 10.2 Ų | 10.2 | 3% | 0.031 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -72.3 | -33.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q319 L376 T377 R496 | Q319-G380 PolarHBondContact NE2-O 2.98Å; L376-G380 PolarHBondContact O-N 3.3Å; T377-G380 PolarHBondContact O-N 3.16Å; G380-R496 PolarHBondContact O-NH1 2.99Å |
| 381 | T | 82.4 | Confident | 89.5 | Confident | 9 Ų | 9 | 10.1 Ų | 10.1 | 6% | 0.055 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -97.7 | -23.6 | -172.4 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | L109 L315 T377 A378 S383 | L109-T381 HydrophobicContact CD1-CG2 4.34Å; L109-T381 HydrophobicContact CD2-CG2 3.21Å; L109-T381 HydrophobicContact CG-CG2 3.96Å; L315-T381 HydrophobicContact CD1-CG2 3.73Å; T377-T381 HydrophobicContact CG2-CG2 4Å; T377-T381 VanDerWaalsContact O-CB 3.28Å; T377-T381 WeakPolarHBondContact O-CB 3.5Å; T377-T381 WeakPolarHBondContact O-CG2 3.33Å; T377-T381 PolarHBondContact O-N 2.97Å; T377-T381 PolarHBondContact O-OG1 2.97Å; A378-T381 PolarHBondContact O-N 3.41Å; T381-S383 PolarHBondContact O-N 3.36Å; T381-S383 PolarHBondContact OG1-N 2.99Å |
| 382 | S | 85.9 | Confident | 89.4 | Confident | 3 Ų | 3 | 10.1 Ų | 10.1 | 2% | 0.021 | 6% | 0.057 | C | C | . | . | trans | 53.4 | 30 | -168.7 | -48.3 | 0 | 0 | 0 | 0 | 113.5 | A378 D495 R496 T499 | A378-S382 VanDerWaalsContact O-CA 3.31Å; A378-S382 WeakPolarHBondContact O-CA 3.25Å; A378-S382 PolarHBondContact O-N 3.28Å; S382-D495 WeakPolarHBondContact CB-OD2 3.17Å; S382-R496 WeakPolarHBondContact OG-CG 3.17Å; S382-R496 PolarHBondContact OG-NH1 3.35Å; S382-R496 VanDerWaalsContact OG-NH1 3.1Å; S382-T499 VanDerWaalsContact C-CG2 3.46Å; S382-T499 PolarHBondContact O-OG1 3.16Å | ||
| 383 | S | 87.9 | Confident | 89.4 | Confident | 8 Ų | 8 | 8.9 Ų | 8.9 | 6% | 0.056 | 5% | 0.05 | C | C | . | . | trans | -135.8 | 117.6 | -179.9 | 176.6 | 0 | 0 | 0 | 0 | 112.5 | T381 A386 T387 G461 | T381-S383 PolarHBondContact O-N 3.36Å; T381-S383 PolarHBondContact OG1-N 2.99Å; S383-A386 WeakPolarHBondContact OG-CB 3.28Å; S383-A386 PolarHBondContact OG-N 3.41Å; S383-A386 VanDerWaalsContact OG-N 3.08Å; S383-T387 WeakPolarHBondContact O-CB 3.23Å; S383-T387 PolarHBondContact O-N 3.19Å; S383-T387 PolarHBondContact O-OG1 3.18Å; S383-G461 PolarHBondContact OG-O 3.46Å | ||
| 384 | S | 91 | Very high | 89.6 | Confident | 6 Ų | 6 | 8.8 Ų | 8.8 | 4% | 0.042 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 171.9 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | A386 T387 L388 | S384-A386 PolarHBondContact O-N 2.91Å; S384-T387 PolarHBondContact O-N 3.44Å; S384-L388 PolarHBondContact O-N 2.98Å |
| 385 | S | 87 | Confident | 89.7 | Confident | 13 Ų | 13 | 8.8 Ų | 8.8 | 9% | 0.091 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.7 | -40.5 | -178.7 | -51.7 | 0 | 0 | 0 | 0 | 112.5 | I116 I262 T387 L388 G461 | I116-S385 WeakPolarHBondContact CD1-O 3.3Å; I262-S385 WeakPolarHBondContact CD1-OG 3.24Å; S385-T387 PolarHBondContact O-N 3.3Å; S385-L388 WeakPolarHBondContact O-CB 3.42Å; S385-L388 PolarHBondContact O-N 2.62Å; S385-G461 PolarHBondContact N-O 3.26Å; S385-G461 PolarHBondContact OG-O 3.42Å |
| 386 | A | 85 | Confident | 89.7 | Confident | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.008 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.9 | -31.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L109 L112 S383 S384 | L109-A386 HydrophobicContact CD2-CB 3.89Å; L112-A386 WeakPolarHBondContact CB-O 3.36Å; L112-A386 WeakPolarHBondContact CD1-O 3.39Å; S383-A386 WeakPolarHBondContact OG-CB 3.28Å; S383-A386 PolarHBondContact OG-N 3.41Å; S383-A386 VanDerWaalsContact OG-N 3.08Å; S384-A386 PolarHBondContact O-N 2.91Å |
| 387 | T | 89.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -84.4 | -19.1 | -178.8 | -53.4 | 0 | 0 | 0 | 0 | 112.5 | A374 T377 A378 S383 S384 S385 L390 T391 V503 | A374-T387 HydrophobicContact CB-CG2 3.96Å; A374-T387 WeakPolarHBondContact O-CG2 3.28Å; T377-T387 HydrophobicContact CG2-CG2 4.14Å; A378-T387 HydrophobicContact CB-CG2 4.29Å; A378-T387 PolarHBondContact N-OG1 2.96Å; S383-T387 WeakPolarHBondContact O-CB 3.23Å; S383-T387 PolarHBondContact O-N 3.19Å; S383-T387 PolarHBondContact O-OG1 3.18Å; S384-T387 PolarHBondContact O-N 3.44Å; S385-T387 PolarHBondContact O-N 3.3Å; T387-L390 WeakPolarHBondContact O-CA 3.4Å; T387-L390 WeakPolarHBondContact O-CB 3.5Å; T387-L390 PolarHBondContact O-N 3.48Å; T387-T391 PolarHBondContact O-N 3.37Å; T387-T391 PolarHBondContact O-OG1 3.34Å; T387-V503 HydrophobicContact CG2-CG1 4.37Å |
| 388 | L | 91.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 15.6 Ų | 15.6 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -50.2 | -46.8 | -171.6 | 176 | 64.4 | 0 | 0 | 0 | 115.1 | I120 S384 S385 L390 T391 I392 L410 P411 | I120-L388 HydrophobicContact CD1-CD2 3.65Å; I120-L388 HydrophobicContact CG1-CD2 3.94Å; S384-L388 PolarHBondContact O-N 2.98Å; S385-L388 WeakPolarHBondContact O-CB 3.42Å; S385-L388 PolarHBondContact O-N 2.62Å; L388-L390 VanDerWaalsContact C-N 3.28Å; L388-L390 PolarHBondContact O-N 3.42Å; L388-T391 PolarHBondContact O-N 3.19Å; L388-T391 VanDerWaalsContact O-N 3.15Å; L388-I392 HydrophobicContact CD1-CD1 3.96Å; L388-I392 HydrophobicContact CD1-CG1 4.05Å; L388-I392 HydrophobicContact CG-CD1 4.05Å; L388-I392 WeakPolarHBondContact O-CG1 3.37Å; L388-I392 PolarHBondContact O-N 3.18Å; L388-L410 HydrophobicContact CD1-CB 3.66Å; L388-P411 HydrophobicContact CD1-CG 4.29Å; L388-P411 HydrophobicContact CD2-CB 4.03Å; L388-P411 HydrophobicContact CD2-CG 4.16Å |
| 389 | P | 90.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.3 | -40.3 | 177 | -28.2 | 38 | 0 | 0 | 0 | 113.6 | I116 L119 I301 K393 | I116-P389 HydrophobicContact CB-CG 4.46Å; I116-P389 HydrophobicContact CG1-CG 3.83Å; L119-P389 HydrophobicContact CD2-CB 3.67Å; L119-P389 HydrophobicContact CD2-CG 4.11Å; I301-P389 HydrophobicContact CD1-CB 3.83Å; I301-P389 HydrophobicContact CG1-CB 4.12Å; P389-K393 PolarHBondContact O-N 3.26Å |
| 390 | L | 89.7 | Confident | 90.6 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71.1 | -41.5 | 177.2 | 171.7 | 57.8 | 0 | 0 | 0 | 110.8 | I305 P373 A374 T377 T387 L388 I392 K393 C394 | I305-L390 HydrophobicContact CD1-CD1 3.35Å; I305-L390 HydrophobicContact CG1-CD1 3.78Å; P373-L390 HydrophobicContact CB-CD1 4.37Å; P373-L390 HydrophobicContact CB-CD2 4.47Å; A374-L390 HydrophobicContact CB-CD2 4.48Å; A374-L390 HydrophobicContact CB-CG 4.08Å; T377-L390 HydrophobicContact CG2-CD2 4.29Å; T377-L390 VanDerWaalsContact OG1-CD2 3.24Å; T377-L390 WeakPolarHBondContact OG1-CD2 3.41Å; T387-L390 WeakPolarHBondContact O-CA 3.4Å; T387-L390 WeakPolarHBondContact O-CB 3.5Å; T387-L390 PolarHBondContact O-N 3.48Å; L388-L390 VanDerWaalsContact C-N 3.28Å; L388-L390 PolarHBondContact O-N 3.42Å; L390-I392 PolarHBondContact O-N 2.89Å; L390-K393 PolarHBondContact O-N 3.49Å; L390-C394 WeakPolarHBondContact O-CB 3.3Å; L390-C394 PolarHBondContact O-N 3.13Å |
| 391 | T | 94.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 176 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | T387 L388 K393 C394 C395 L410 V503 | T387-T391 PolarHBondContact O-N 3.37Å; T387-T391 PolarHBondContact O-OG1 3.34Å; L388-T391 PolarHBondContact O-N 3.19Å; L388-T391 VanDerWaalsContact O-N 3.15Å; T391-K393 VanDerWaalsContact C-N 3.34Å; T391-K393 PolarHBondContact O-N 3.09Å; T391-C394 PolarHBondContact O-N 3.29Å; T391-C395 PolarHBondContact O-N 3.33Å; T391-C395 PolarHBondContact O-SG 3.47Å; T391-C395 VanDerWaalsContact O-SG 3.32Å; T391-L410 HydrophobicContact CG2-CD1 4.09Å; T391-L410 HydrophobicContact CG2-CD2 4.06Å; T391-V503 HydrophobicContact CG2-CG1 4.2Å |
| 392 | I | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.1 | -50.4 | 177 | -70 | 166.2 | 0 | 0 | 0 | 110.1 | L119 L388 L390 C394 C395 E396 R407 L410 P411 | L119-I392 HydrophobicContact CD2-CD1 3.98Å; L388-I392 HydrophobicContact CD1-CD1 3.96Å; L388-I392 HydrophobicContact CD1-CG1 4.05Å; L388-I392 HydrophobicContact CG-CD1 4.05Å; L388-I392 WeakPolarHBondContact O-CG1 3.37Å; L388-I392 PolarHBondContact O-N 3.18Å; L390-I392 PolarHBondContact O-N 2.89Å; I392-C394 PolarHBondContact O-N 3.46Å; I392-C395 PolarHBondContact O-N 2.95Å; I392-E396 HydrophobicContact CG2-CG 4.47Å; I392-E396 VanDerWaalsContact CG2-OE1 3.3Å; I392-E396 WeakPolarHBondContact CG2-OE1 3.36Å; I392-E396 WeakPolarHBondContact O-CG 3.36Å; I392-E396 PolarHBondContact O-N 2.99Å; I392-R407 HydrophobicContact CG2-CG 4.3Å; I392-L410 HydrophobicContact CB-CD1 4.27Å; I392-L410 HydrophobicContact CG1-CB 4.16Å; I392-L410 HydrophobicContact CG1-CD1 3.72Å; I392-P411 HydrophobicContact CD1-CG 4.26Å |
| 393 | K | 91.5 | Very high | 92.2 | Very high | 25 Ų | 25 | 22.3 Ų | 22.3 | 11% | 0.109 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.9 | -44.9 | -179.5 | -176 | -177.7 | 165.6 | -174 | 0 | 112.5 | M298 I301 T302 I305 P389 L390 T391 C395 E396 K397 | M298-K393 HydrophobicContact CE-CB 4.25Å; M298-K393 HydrophobicContact CE-CG 4.3Å; I301-K393 HydrophobicContact CG2-CB 4.33Å; I301-K393 HydrophobicContact CG2-CD 3.84Å; T302-K393 VanDerWaalsContact CA-NZ 3.33Å; T302-K393 WeakPolarHBondContact OG1-CE 3.49Å; T302-K393 PolarHBondContact OG1-NZ 3.42Å; I305-K393 HydrophobicContact CD1-CD 3.6Å; P389-K393 PolarHBondContact O-N 3.26Å; L390-K393 PolarHBondContact O-N 3.49Å; T391-K393 VanDerWaalsContact C-N 3.34Å; T391-K393 PolarHBondContact O-N 3.09Å; K393-C395 VanDerWaalsContact C-N 3.34Å; K393-C395 PolarHBondContact O-N 3.05Å; K393-E396 PolarHBondContact O-N 3.17Å; K393-K397 HydrophobicContact CG-CG 4.08Å; K393-K397 WeakPolarHBondContact O-CB 3.44Å; K393-K397 PolarHBondContact O-N 3.47Å |
| 394 | C | 93.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.034 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -61.2 | -42.5 | 177.8 | -78.3 | 0 | 0 | 0 | 0 | 111.9 | I371 L390 T391 I392 N398 N399 | I371-C394 HydrophobicContact CB-CB 4.43Å; I371-C394 HydrophobicContact CG2-CB 3.95Å; L390-C394 WeakPolarHBondContact O-CB 3.3Å; L390-C394 PolarHBondContact O-N 3.13Å; T391-C394 PolarHBondContact O-N 3.29Å; I392-C394 PolarHBondContact O-N 3.46Å; C394-N398 WeakPolarHBondContact O-CA 3.35Å; C394-N398 VanDerWaalsContact O-CB 3.26Å; C394-N398 WeakPolarHBondContact O-CB 3.48Å; C394-N398 PolarHBondContact O-N 3.33Å; C394-N399 PolarHBondContact O-N 3.28Å |
| 395 | C | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -63.7 | -44.7 | 176.7 | -70 | 0 | 0 | 0 | 0 | 112.1 | T391 I392 K393 N399 N400 V401 T406 L410 S507 | T391-C395 PolarHBondContact O-N 3.33Å; T391-C395 PolarHBondContact O-SG 3.47Å; T391-C395 VanDerWaalsContact O-SG 3.32Å; I392-C395 PolarHBondContact O-N 2.95Å; K393-C395 VanDerWaalsContact C-N 3.34Å; K393-C395 PolarHBondContact O-N 3.05Å; C395-N399 CarbonylContact O-C 3.57Å; C395-N399 WeakPolarHBondContact O-CB 3.45Å; C395-N400 PolarHBondContact O-N 3.37Å; C395-V401 HydrophobicContact CB-CB 4.38Å; C395-V401 HydrophobicContact CB-CG2 4.34Å; C395-V401 WeakPolarHBondContact O-CB 3.46Å; C395-V401 WeakPolarHBondContact O-CG2 3.38Å; C395-V401 PolarHBondContact O-N 3.21Å; C395-T406 HydrophobicContact CB-CG2 3.52Å; C395-L410 HydrophobicContact CB-CD1 4.15Å; C395-S507 PolarHBondContact SG-OG 2.92Å |
| 396 | E | 94.4 | Very high | 92.9 | Very high | 18 Ų | 18 | 21.9 Ų | 21.9 | 8% | 0.084 | 11% | 0.112 | C | C | . | . | I | π-helix | trans | -70.8 | -50.3 | -179.1 | -71 | -178.9 | -164 | 0 | 0 | 112.6 | M298 I392 K393 N400 P403 T406 R407 | M298-E396 WeakPolarHBondContact CE-OE2 3.43Å; I392-E396 HydrophobicContact CG2-CG 4.47Å; I392-E396 VanDerWaalsContact CG2-OE1 3.3Å; I392-E396 WeakPolarHBondContact CG2-OE1 3.36Å; I392-E396 WeakPolarHBondContact O-CG 3.36Å; I392-E396 PolarHBondContact O-N 2.99Å; K393-E396 PolarHBondContact O-N 3.17Å; E396-N400 WeakPolarHBondContact O-CA 3.43Å; E396-N400 PolarHBondContact O-N 3.17Å; E396-P403 HydrophobicContact CG-CB 4.4Å; E396-P403 HydrophobicContact CG-CG 4.24Å; E396-T406 HydrophobicContact CG-CG2 4.02Å; E396-T406 VanDerWaalsContact CG-OG1 3.29Å; E396-T406 WeakPolarHBondContact CG-OG1 3.47Å; E396-T406 PolarHBondContact OE1-OG1 2.64Å; E396-R407 WeakPolarHBondContact OE1-CG 3.23Å; E396-R407 IonicContact OE1-CZ 2.77Å; E396-R407 IonicContact OE1-NE 3.53Å; E396-R407 PolarHBondContact OE1-NE 3.36Å; E396-R407 IonicContact OE1-NH2 2.84Å; E396-R407 IonicContact OE2-CZ 3.96Å; E396-R407 IonicContact OE2-NE 2.87Å; E396-R407 IonicContact OE2-NH2 3.59Å; E396-R407 PolarHBondContact OE2-NH2 3.26Å |
| 397 | K | 92 | Very high | 93.1 | Very high | 121 Ų | 121 | 22.5 Ų | 22.5 | 53% | 0.526 | 11% | 0.114 | S | C | . | . | I | π-helix | trans | -82.3 | -50.2 | -172.8 | -65.9 | -62.5 | -177.6 | -172.7 | 0 | 112.9 | K393 | K393-K397 HydrophobicContact CG-CG 4.08Å; K393-K397 WeakPolarHBondContact O-CB 3.44Å; K393-K397 PolarHBondContact O-N 3.47Å |
| 398 | N | 92.9 | Very high | 93 | Very high | 47 Ų | 47 | 23.6 Ų | 23.6 | 25% | 0.251 | 12% | 0.118 | S | C | . | . | I | π-helix | trans | -85.1 | -36.8 | -170 | -52.9 | 9 | 0 | 0 | 0 | 110.4 | E65 G370 C394 | E65-N398 PolarHBondContact OE2-OD1 3.31Å; G370-N398 WeakPolarHBondContact O-CB 3.3Å; G370-N398 PolarHBondContact O-ND2 2.81Å; C394-N398 WeakPolarHBondContact O-CA 3.35Å; C394-N398 VanDerWaalsContact O-CB 3.26Å; C394-N398 WeakPolarHBondContact O-CB 3.48Å; C394-N398 PolarHBondContact O-N 3.33Å |
| 399 | N | 95.8 | Very high | 93.1 | Very high | 15 Ų | 15 | 23.4 Ų | 23.4 | 8% | 0.08 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -104.8 | -0.6 | -175.9 | -76.2 | -28.9 | 0 | 0 | 0 | 114.7 | R362 Y367 I371 C394 C395 V401 | R362-N399 PolarHBondContact NH1-O 3.15Å; Y367-N399 WeakPolarHBondContact CA-OD1 3.39Å; Y367-N399 HydrophobicContact CD2-CB 3.84Å; Y367-N399 VanDerWaalsContact CD2-CG 3.49Å; Y367-N399 HydrophobicContact CE2-CB 3.52Å; Y367-N399 PolarHBondContact O-ND2 3.4Å; Y367-N399 PolarHBondContact O-OD1 3Å; I371-N399 VanDerWaalsContact CG2-ND2 3.28Å; I371-N399 WeakPolarHBondContact CG2-ND2 3.49Å; C394-N399 PolarHBondContact O-N 3.28Å; C395-N399 CarbonylContact O-C 3.57Å; C395-N399 WeakPolarHBondContact O-CB 3.45Å; N399-V401 VanDerWaalsContact C-N 3.25Å; N399-V401 HydrophobicContact CB-CG2 4.09Å; N399-V401 PolarHBondContact O-N 3.29Å |
| 400 | N | 94.9 | Very high | 93.3 | Very high | 116 Ų | 116 | 23.3 Ų | 23.3 | 62% | 0.62 | 12% | 0.117 | S | C | * | . | trans | 49.6 | 48.2 | 177.4 | -58.9 | -82.3 | 0 | 0 | 0 | 111.8 | R362 C395 E396 | R362-N400 PolarHBondContact NH2-O 3.42Å; C395-N400 PolarHBondContact O-N 3.37Å; E396-N400 WeakPolarHBondContact O-CA 3.43Å; E396-N400 PolarHBondContact O-N 3.17Å | ||
| 401 | V | 96.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | trans | -88 | 137.6 | 171 | -172.2 | 0 | 0 | 0 | 0 | 108.3 | Y367 C395 N399 V405 T406 A510 H514 | Y367-V401 HydrophobicContact CE2-CG2 3.94Å; Y367-V401 WeakPolarHBondContact OH-CG2 3.47Å; C395-V401 HydrophobicContact CB-CB 4.38Å; C395-V401 HydrophobicContact CB-CG2 4.34Å; C395-V401 WeakPolarHBondContact O-CB 3.46Å; C395-V401 WeakPolarHBondContact O-CG2 3.38Å; C395-V401 PolarHBondContact O-N 3.21Å; N399-V401 VanDerWaalsContact C-N 3.25Å; N399-V401 HydrophobicContact CB-CG2 4.09Å; N399-V401 PolarHBondContact O-N 3.29Å; V401-V405 HydrophobicContact CG1-CB 4.44Å; V401-V405 HydrophobicContact CG1-CG1 4.49Å; V401-T406 HydrophobicContact CB-CG2 3.57Å; V401-T406 HydrophobicContact CG1-CG2 3.47Å; V401-T406 VanDerWaalsContact CG1-CG2 3.47Å; V401-A510 HydrophobicContact CG1-CB 4.41Å; V401-A510 WeakPolarHBondContact CG1-O 3.38Å; V401-H514 WeakPolarHBondContact CA-ND1 3.44Å; V401-H514 HydrophobicContact CG1-CB 3.73Å | ||
| 402 | D | 94.3 | Very high | 93.2 | Very high | 29 Ų | 29 | 23.8 Ų | 23.8 | 16% | 0.155 | 12% | 0.119 | C | C | . | . | trans | -57.9 | 127.5 | -178.1 | -169.5 | -57.3 | 0 | 0 | 0 | 110.1 | R404 V405 T406 H514 L521 | D402-R404 PolarHBondContact O-N 3.3Å; D402-R404 VanDerWaalsContact O-N 3.15Å; D402-R404 WeakPolarHBondContact OD1-CB 3.16Å; D402-R404 WeakPolarHBondContact OD1-CG 3.45Å; D402-R404 IonicContact OD1-CZ 2.75Å; D402-R404 PolarHBondContact OD1-N 2.88Å; D402-R404 IonicContact OD1-NE 2.7Å; D402-R404 PolarHBondContact OD1-NE 3.32Å; D402-R404 IonicContact OD1-NH2 3.57Å; D402-R404 IonicContact OD2-CZ 3.18Å; D402-R404 IonicContact OD2-NE 3.31Å; D402-R404 PolarHBondContact OD2-NE 3.5Å; D402-R404 IonicContact OD2-NH2 3.55Å; D402-R404 PolarHBondContact OD2-NH2 2.89Å; D402-V405 HydrophobicContact CB-CG2 4.08Å; D402-V405 WeakPolarHBondContact O-CA 3.11Å; D402-V405 WeakPolarHBondContact O-CB 3.36Å; D402-V405 PolarHBondContact O-N 2.92Å; D402-T406 PolarHBondContact O-N 3Å; D402-T406 VanDerWaalsContact O-N 3.1Å; D402-H514 PolarHBondContact N-CE1 3.49Å; D402-H514 PolarHBondContact N-ND1 3.25Å; D402-L521 HydrophobicContact CB-CD1 4.04Å | ||
| 403 | P | 91.9 | Very high | 93.1 | Very high | 48 Ų | 48 | 23.8 Ų | 23.8 | 31% | 0.312 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -52.8 | -34.4 | 178.2 | -29 | 36 | 0 | 0 | 0 | 113.7 | S127 E396 V405 T406 R407 | S127-P403 PolarHBondContact OG-O 3.13Å; E396-P403 HydrophobicContact CG-CB 4.4Å; E396-P403 HydrophobicContact CG-CG 4.24Å; P403-V405 PolarHBondContact O-N 2.86Å; P403-T406 WeakPolarHBondContact CA-OG1 3.39Å; P403-T406 PolarHBondContact O-N 2.78Å; P403-T406 PolarHBondContact O-OG1 2.84Å; P403-R407 WeakPolarHBondContact O-CB 3.38Å; P403-R407 WeakPolarHBondContact O-CD 3.37Å; P403-R407 WeakPolarHBondContact O-CG 3.47Å; P403-R407 PolarHBondContact O-N 3.16Å |
| 404 | R | 90.7 | Very high | 93.1 | Very high | 19 Ų | 19 | 22.7 Ų | 22.7 | 7% | 0.072 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.1 | -27.7 | 178.7 | -60.7 | 170.2 | -68.4 | -173.5 | -10.3 | 112.2 | S127 L131 L139 D402 L521 D525 | S127-R404 WeakPolarHBondContact OG-CA 3.48Å; L131-R404 HydrophobicContact CD1-CB 4.35Å; L131-R404 HydrophobicContact CD2-CB 4.34Å; L131-R404 HydrophobicContact CD2-CG 4.44Å; L131-R404 HydrophobicContact CG-CB 4.48Å; L139-R404 WeakPolarHBondContact CD2-O 3.37Å; D402-R404 PolarHBondContact O-N 3.3Å; D402-R404 VanDerWaalsContact O-N 3.15Å; D402-R404 WeakPolarHBondContact OD1-CB 3.16Å; D402-R404 WeakPolarHBondContact OD1-CG 3.45Å; D402-R404 IonicContact OD1-CZ 2.75Å; D402-R404 PolarHBondContact OD1-N 2.88Å; D402-R404 IonicContact OD1-NE 2.7Å; D402-R404 PolarHBondContact OD1-NE 3.32Å; D402-R404 IonicContact OD1-NH2 3.57Å; D402-R404 IonicContact OD2-CZ 3.18Å; D402-R404 IonicContact OD2-NE 3.31Å; D402-R404 PolarHBondContact OD2-NE 3.5Å; D402-R404 IonicContact OD2-NH2 3.55Å; D402-R404 PolarHBondContact OD2-NH2 2.89Å; R404-L521 HydrophobicContact CB-CD2 4.38Å; R404-D525 IonicContact CZ-OD1 3.6Å; R404-D525 IonicContact CZ-OD2 2.69Å; R404-D525 IonicContact NH1-OD1 3.14Å; R404-D525 PolarHBondContact NH1-OD1 3.25Å; R404-D525 IonicContact NH1-OD2 3.36Å; R404-D525 PolarHBondContact NH1-OD2 3.26Å; R404-D525 IonicContact NH2-OD1 2.96Å; R404-D525 IonicContact NH2-OD2 3.41Å; R404-D525 PolarHBondContact NH2-OD2 3.33Å |
| 405 | V | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -84.5 | -57 | 176 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | L139 V401 D402 P403 R407 F408 V409 A510 V513 H514 L521 | L139-V405 HydrophobicContact CD1-CB 4.26Å; L139-V405 HydrophobicContact CD1-CG1 4.13Å; L139-V405 HydrophobicContact CD1-CG2 3.83Å; V401-V405 HydrophobicContact CG1-CB 4.44Å; V401-V405 HydrophobicContact CG1-CG1 4.49Å; D402-V405 HydrophobicContact CB-CG2 4.08Å; D402-V405 WeakPolarHBondContact O-CA 3.11Å; D402-V405 WeakPolarHBondContact O-CB 3.36Å; D402-V405 PolarHBondContact O-N 2.92Å; P403-V405 PolarHBondContact O-N 2.86Å; V405-R407 PolarHBondContact O-N 2.73Å; V405-R407 VanDerWaalsContact O-N 3.17Å; V405-F408 PolarHBondContact O-N 2.89Å; V405-F408 VanDerWaalsContact O-N 3.1Å; V405-V409 HydrophobicContact CG1-CB 4.38Å; V405-V409 HydrophobicContact CG1-CG2 3.61Å; V405-V409 VanDerWaalsContact O-CB 3.28Å; V405-V409 WeakPolarHBondContact O-CB 3.43Å; V405-V409 VanDerWaalsContact O-CG2 3.22Å; V405-V409 WeakPolarHBondContact O-CG2 3.5Å; V405-V409 PolarHBondContact O-N 3Å; V405-A510 WeakPolarHBondContact CG1-O 3.41Å; V405-V513 HydrophobicContact CG1-CB 4.17Å; V405-V513 HydrophobicContact CG1-CG1 3.97Å; V405-H514 HydrophobicContact CB-CB 4.29Å; V405-H514 HydrophobicContact CG1-CB 4.06Å; V405-H514 HydrophobicContact CG2-CB 4.03Å; V405-L521 HydrophobicContact CG2-CD1 3.8Å |
| 406 | T | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56.4 | -38.9 | -174.8 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | C395 E396 V401 D402 P403 F408 L410 P411 A510 | C395-T406 HydrophobicContact CB-CG2 3.52Å; E396-T406 HydrophobicContact CG-CG2 4.02Å; E396-T406 VanDerWaalsContact CG-OG1 3.29Å; E396-T406 WeakPolarHBondContact CG-OG1 3.47Å; E396-T406 PolarHBondContact OE1-OG1 2.64Å; V401-T406 HydrophobicContact CB-CG2 3.57Å; V401-T406 HydrophobicContact CG1-CG2 3.47Å; V401-T406 VanDerWaalsContact CG1-CG2 3.47Å; D402-T406 PolarHBondContact O-N 3Å; D402-T406 VanDerWaalsContact O-N 3.1Å; P403-T406 WeakPolarHBondContact CA-OG1 3.39Å; P403-T406 PolarHBondContact O-N 2.78Å; P403-T406 PolarHBondContact O-OG1 2.84Å; T406-F408 VanDerWaalsContact C-N 3.28Å; T406-F408 PolarHBondContact O-N 3.38Å; T406-L410 HydrophobicContact CG2-CD1 4.28Å; T406-L410 VanDerWaalsContact O-CB 3.23Å; T406-L410 WeakPolarHBondContact O-CB 3.46Å; T406-L410 VanDerWaalsContact O-CG 3.28Å; T406-L410 WeakPolarHBondContact O-CG 3.47Å; T406-L410 PolarHBondContact O-N 3.06Å; T406-P411 WeakPolarHBondContact O-CD 3.25Å; T406-A510 HydrophobicContact CG2-CB 4.44Å |
| 407 | R | 89.5 | Confident | 91.7 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 5% | 0.053 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -76.7 | -13 | -175.6 | -66.5 | 172.7 | -176.7 | -173.6 | 5.3 | 114.6 | T123 I124 S127 E294 I392 E396 P403 V405 P411 | T123-R407 HydrophobicContact CG2-CG 3.85Å; I124-R407 WeakPolarHBondContact CG1-O 3.46Å; S127-R407 WeakPolarHBondContact OG-CB 3.38Å; S127-R407 WeakPolarHBondContact OG-CD 3.2Å; E294-R407 VanDerWaalsContact CG-NH1 3.35Å; E294-R407 IonicContact OE1-CZ 3.09Å; E294-R407 VanDerWaalsContact OE1-CZ 3.24Å; E294-R407 IonicContact OE1-NH1 2.93Å; E294-R407 PolarHBondContact OE1-NH1 2.81Å; E294-R407 IonicContact OE1-NH2 2.73Å; E294-R407 PolarHBondContact OE1-NH2 3.38Å; E294-R407 IonicContact OE2-CZ 3.3Å; E294-R407 IonicContact OE2-NH1 3.95Å; E294-R407 PolarHBondContact OE2-NH1 2.79Å; E294-R407 IonicContact OE2-NH2 3.22Å; I392-R407 HydrophobicContact CG2-CG 4.3Å; E396-R407 WeakPolarHBondContact OE1-CG 3.23Å; E396-R407 IonicContact OE1-CZ 2.77Å; E396-R407 IonicContact OE1-NE 3.53Å; E396-R407 PolarHBondContact OE1-NE 3.36Å; E396-R407 IonicContact OE1-NH2 2.84Å; E396-R407 IonicContact OE2-CZ 3.96Å; E396-R407 IonicContact OE2-NE 2.87Å; E396-R407 IonicContact OE2-NH2 3.59Å; E396-R407 PolarHBondContact OE2-NH2 3.26Å; P403-R407 WeakPolarHBondContact O-CB 3.38Å; P403-R407 WeakPolarHBondContact O-CD 3.37Å; P403-R407 WeakPolarHBondContact O-CG 3.47Å; P403-R407 PolarHBondContact O-N 3.16Å; V405-R407 PolarHBondContact O-N 2.73Å; V405-R407 VanDerWaalsContact O-N 3.17Å; R407-P411 WeakPolarHBondContact O-CG 3.26Å |
| 408 | F | 88.6 | Confident | 91.5 | Very high | 22 Ų | 22 | 18.3 Ų | 18.3 | 10% | 0.096 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -103.8 | -50.7 | 172.4 | 174.5 | -99.3 | 0 | 0 | 0 | 110.5 | I128 L139 T143 V270 V405 T406 L412 | I128-F408 HydrophobicContact CD1-CD2 3.92Å; I128-F408 HydrophobicContact CD1-CE2 4.44Å; L139-F408 HydrophobicContact CD2-CB 4Å; L139-F408 HydrophobicContact CD2-CD1 3.88Å; L139-F408 HydrophobicContact CD2-CG 4.07Å; L139-F408 HydrophobicContact CG-CD1 3.96Å; T143-F408 HydrophobicContact CG2-CE1 4.35Å; V270-F408 HydrophobicContact CG2-CD2 4.22Å; V270-F408 HydrophobicContact CG2-CE2 3.89Å; V405-F408 PolarHBondContact O-N 2.89Å; V405-F408 VanDerWaalsContact O-N 3.1Å; T406-F408 VanDerWaalsContact C-N 3.28Å; T406-F408 PolarHBondContact O-N 3.38Å; F408-L412 HydrophobicContact CE1-CD2 4.17Å; F408-L412 HydrophobicContact CZ-CD2 4.08Å; F408-L412 WeakPolarHBondContact O-CB 3.49Å; F408-L412 PolarHBondContact O-N 3.36Å |
| 409 | V | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.5 | -52.6 | -174.3 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | L139 T143 Y147 V405 L412 G413 A510 V513 | L139-V409 HydrophobicContact CD1-CG2 4.5Å; T143-V409 HydrophobicContact CG2-CB 4.42Å; T143-V409 HydrophobicContact CG2-CG1 4.13Å; T143-V409 HydrophobicContact CG2-CG2 4.15Å; T143-V409 WeakPolarHBondContact OG1-CG2 3.43Å; Y147-V409 HydrophobicContact CE1-CG1 4.46Å; Y147-V409 VanDerWaalsContact OH-C 3.29Å; Y147-V409 WeakPolarHBondContact OH-CG1 3.14Å; Y147-V409 PolarHBondContact OH-O 3.38Å; V405-V409 HydrophobicContact CG1-CB 4.38Å; V405-V409 HydrophobicContact CG1-CG2 3.61Å; V405-V409 VanDerWaalsContact O-CB 3.28Å; V405-V409 WeakPolarHBondContact O-CB 3.43Å; V405-V409 VanDerWaalsContact O-CG2 3.22Å; V405-V409 WeakPolarHBondContact O-CG2 3.5Å; V405-V409 PolarHBondContact O-N 3Å; V409-L412 PolarHBondContact O-N 2.91Å; V409-G413 PolarHBondContact O-N 2.78Å; V409-A510 HydrophobicContact CB-CB 4.33Å; V409-A510 HydrophobicContact CG1-CB 4.02Å; V409-V513 HydrophobicContact CG2-CB 4.28Å; V409-V513 HydrophobicContact CG2-CG1 3.95Å |
| 410 | L | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.7 | -43.7 | -171.9 | -58.4 | 169.1 | 0 | 0 | 0 | 113.7 | L388 T391 I392 C395 T406 L412 G413 A414 D506 A510 | L388-L410 HydrophobicContact CD1-CB 3.66Å; T391-L410 HydrophobicContact CG2-CD1 4.09Å; T391-L410 HydrophobicContact CG2-CD2 4.06Å; I392-L410 HydrophobicContact CB-CD1 4.27Å; I392-L410 HydrophobicContact CG1-CB 4.16Å; I392-L410 HydrophobicContact CG1-CD1 3.72Å; C395-L410 HydrophobicContact CB-CD1 4.15Å; T406-L410 HydrophobicContact CG2-CD1 4.28Å; T406-L410 VanDerWaalsContact O-CB 3.23Å; T406-L410 WeakPolarHBondContact O-CB 3.46Å; T406-L410 VanDerWaalsContact O-CG 3.28Å; T406-L410 WeakPolarHBondContact O-CG 3.47Å; T406-L410 PolarHBondContact O-N 3.06Å; L410-L412 VanDerWaalsContact C-N 3.28Å; L410-L412 PolarHBondContact O-N 3.17Å; L410-G413 PolarHBondContact O-N 3.3Å; L410-A414 PolarHBondContact O-N 2.72Å; L410-D506 HydrophobicContact CD2-CB 4.02Å; L410-D506 VanDerWaalsContact CD2-O 3.24Å; L410-D506 WeakPolarHBondContact CD2-O 2.91Å; L410-A510 HydrophobicContact CD2-CB 3.83Å; L410-A510 HydrophobicContact CG-CB 4.09Å |
| 411 | P | 91.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -60.6 | -39.2 | 174.7 | -26.4 | 36.8 | 0 | 0 | 0 | 112.8 | I120 I266 L388 I392 T406 R407 | I120-P411 HydrophobicContact CD1-CB 4.5Å; I120-P411 HydrophobicContact CG1-CB 4.44Å; I120-P411 HydrophobicContact CG1-CG 4.49Å; I266-P411 VanDerWaalsContact CD1-C 3.44Å; I266-P411 HydrophobicContact CD1-CB 3.74Å; I266-P411 WeakPolarHBondContact CD1-O 2.83Å; I266-P411 HydrophobicContact CG1-CB 4.18Å; L388-P411 HydrophobicContact CD1-CG 4.29Å; L388-P411 HydrophobicContact CD2-CB 4.03Å; L388-P411 HydrophobicContact CD2-CG 4.16Å; I392-P411 HydrophobicContact CD1-CG 4.26Å; T406-P411 WeakPolarHBondContact O-CD 3.25Å; R407-P411 WeakPolarHBondContact O-CG 3.26Å |
| 412 | L | 90.4 | Very high | 91.5 | Very high | 18 Ų | 18 | 9.9 Ų | 9.9 | 9% | 0.094 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -65.8 | -47.7 | 176.6 | -174.7 | 62 | 0 | 0 | 0 | 110.5 | T143 Y147 L263 I266 F408 V409 L410 A414 T415 I416 | T143-L412 HydrophobicContact CG2-CD2 3.89Å; Y147-L412 HydrophobicContact CE2-CB 4.39Å; Y147-L412 HydrophobicContact CE2-CD2 4.32Å; Y147-L412 HydrophobicContact CE2-CG 4.18Å; L263-L412 HydrophobicContact CD1-CD1 4.3Å; I266-L412 HydrophobicContact CD1-CB 4.36Å; F408-L412 HydrophobicContact CE1-CD2 4.17Å; F408-L412 HydrophobicContact CZ-CD2 4.08Å; F408-L412 WeakPolarHBondContact O-CB 3.49Å; F408-L412 PolarHBondContact O-N 3.36Å; V409-L412 PolarHBondContact O-N 2.91Å; L410-L412 VanDerWaalsContact C-N 3.28Å; L410-L412 PolarHBondContact O-N 3.17Å; L412-A414 VanDerWaalsContact C-N 3.33Å; L412-A414 PolarHBondContact O-N 3.23Å; L412-T415 PolarHBondContact O-N 3.39Å; L412-T415 PolarHBondContact O-OG1 2.84Å; L412-I416 HydrophobicContact CD1-CD1 3.71Å; L412-I416 HydrophobicContact CD1-CG1 4.11Å; L412-I416 HydrophobicContact CD1-CG2 4.35Å; L412-I416 HydrophobicContact CD2-CD1 3.98Å; L412-I416 HydrophobicContact CG-CD1 3.59Å; L412-I416 HydrophobicContact CG-CG1 3.93Å; L412-I416 WeakPolarHBondContact O-CG1 3.17Å; L412-I416 PolarHBondContact O-N 3.23Å |
| 413 | G | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -56.6 | -43.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y147 V409 L410 T415 I416 N417 D506 | Y147-G413 VanDerWaalsContact CZ-CA 3.46Å; Y147-G413 VanDerWaalsContact OH-CA 3.28Å; Y147-G413 WeakPolarHBondContact OH-CA 3.32Å; Y147-G413 PolarHBondContact OH-N 2.9Å; V409-G413 PolarHBondContact O-N 2.78Å; L410-G413 PolarHBondContact O-N 3.3Å; G413-T415 PolarHBondContact O-N 3.36Å; G413-I416 PolarHBondContact O-N 2.93Å; G413-N417 WeakPolarHBondContact O-CA 3.17Å; G413-N417 PolarHBondContact O-N 2.66Å; G413-D506 WeakPolarHBondContact CA-OD1 3.26Å |
| 414 | A | 90 | Very high | 91.8 | Very high | 2 Ų | 2 | 6.3 Ų | 6.3 | 2% | 0.017 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61.2 | -7.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | L410 L412 D506 | L410-A414 PolarHBondContact O-N 2.72Å; L412-A414 VanDerWaalsContact C-N 3.33Å; L412-A414 PolarHBondContact O-N 3.23Å; A414-D506 PolarHBondContact N-OD2 3.07Å |
| 415 | T | 84.8 | Confident | 91.9 | Very high | 16 Ų | 16 | 5.4 Ų | 5.4 | 10% | 0.098 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -113.3 | -45.1 | 174.6 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | I262 L412 G413 | I262-T415 HydrophobicContact CB-CG2 3.59Å; I262-T415 HydrophobicContact CD1-CG2 4.47Å; I262-T415 HydrophobicContact CG2-CG2 3.5Å; L412-T415 PolarHBondContact O-N 3.39Å; L412-T415 PolarHBondContact O-OG1 2.84Å; G413-T415 PolarHBondContact O-N 3.36Å |
| 416 | I | 86 | Confident | 92 | Very high | 29 Ų | 29 | 5.4 Ų | 5.4 | 15% | 0.149 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -107.3 | -18.6 | -170.8 | 68.6 | 171 | 0 | 0 | 0 | 114.4 | Y147 L263 L412 G413 I457 | Y147-I416 HydrophobicContact CD2-CD1 3.83Å; Y147-I416 HydrophobicContact CD2-CG1 3.88Å; Y147-I416 HydrophobicContact CE2-CD1 4.42Å; Y147-I416 HydrophobicContact CE2-CG1 4.3Å; L263-I416 HydrophobicContact CD1-CG2 4.28Å; L412-I416 HydrophobicContact CD1-CD1 3.71Å; L412-I416 HydrophobicContact CD1-CG1 4.11Å; L412-I416 HydrophobicContact CD1-CG2 4.35Å; L412-I416 HydrophobicContact CD2-CD1 3.98Å; L412-I416 HydrophobicContact CG-CD1 3.59Å; L412-I416 HydrophobicContact CG-CG1 3.93Å; L412-I416 WeakPolarHBondContact O-CG1 3.17Å; L412-I416 PolarHBondContact O-N 3.23Å; G413-I416 PolarHBondContact O-N 2.93Å; I416-I457 HydrophobicContact CB-CG2 4.16Å; I416-I457 HydrophobicContact CG2-CG2 4.04Å |
| 417 | N | 84.5 | Confident | 92 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.027 | C | C | . | . | trans | -107.9 | 86.6 | -174.4 | -173.5 | 54.9 | 0 | 0 | 0 | 110.3 | Y147 T150 T151 G413 D419 D506 | Y147-N417 WeakPolarHBondContact CA-OD1 3.5Å; Y147-N417 WeakPolarHBondContact CB-OD1 3.01Å; Y147-N417 HydrophobicContact CD1-CB 3.39Å; Y147-N417 WeakPolarHBondContact CD1-ND2 3.44Å; Y147-N417 WeakPolarHBondContact CD1-OD1 3.45Å; Y147-N417 HydrophobicContact CD2-CB 3.91Å; Y147-N417 HydrophobicContact CE1-CB 3.72Å; Y147-N417 HydrophobicContact CE2-CB 4.16Å; Y147-N417 HydrophobicContact CG-CB 3.51Å; T150-N417 PolarHBondContact OG1-OD1 2.79Å; T151-N417 PolarHBondContact OG1-OD1 2.82Å; G413-N417 WeakPolarHBondContact O-CA 3.17Å; G413-N417 PolarHBondContact O-N 2.66Å; N417-D419 PolarHBondContact OD1-OD1 2.76Å; N417-D506 WeakPolarHBondContact CB-OD1 2.98Å; N417-D506 PolarHBondContact ND2-OD1 2.98Å | ||
| 418 | M | 89.1 | Confident | 92.2 | Very high | 6 Ų | 6 | 4.7 Ų | 4.7 | 3% | 0.03 | 3% | 0.025 | C | C | . | . | trans | -120 | 63 | -178.6 | -59.3 | -156.7 | -169.3 | 0 | 0 | 112.2 | G420 T421 A422 A459 N502 | M418-G420 VanDerWaalsContact C-N 3.29Å; M418-G420 PolarHBondContact O-N 3.04Å; M418-T421 WeakPolarHBondContact CB-OG1 3.33Å; M418-T421 WeakPolarHBondContact O-CA 3.45Å; M418-T421 WeakPolarHBondContact O-CB 3.36Å; M418-T421 PolarHBondContact O-N 3.35Å; M418-A422 PolarHBondContact O-N 3.43Å; M418-A459 HydrophobicContact CE-CB 3.98Å; M418-A459 WeakPolarHBondContact CE-O 3.18Å; M418-A459 HydrophobicContact SD-CB 3.52Å; M418-A459 VanDerWaalsContact SD-CB 3.52Å; M418-N502 VanDerWaalsContact C-OD1 3.27Å | ||
| 419 | D | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -47.4 | -49.3 | -178.7 | -60.7 | -25.4 | 0 | 0 | 0 | 113 | T150 T151 A154 H347 N417 T421 A422 L423 N502 | T150-D419 VanDerWaalsContact C-OD1 3.27Å; T150-D419 WeakPolarHBondContact CB-OD2 3.32Å; T150-D419 PolarHBondContact OG1-OD1 2.75Å; T150-D419 PolarHBondContact OG1-OD2 3.45Å; T151-D419 WeakPolarHBondContact CA-OD1 3.5Å; T151-D419 PolarHBondContact N-OD1 3.21Å; T151-D419 PolarHBondContact OG1-OD1 3.25Å; A154-D419 HydrophobicContact CB-CB 3.92Å; A154-D419 WeakPolarHBondContact CB-O 3.28Å; H347-D419 IonicContact NE2-OD2 3.25Å; N417-D419 PolarHBondContact OD1-OD1 2.76Å; D419-T421 VanDerWaalsContact C-N 3.28Å; D419-T421 PolarHBondContact O-N 3.17Å; D419-A422 PolarHBondContact O-N 3.46Å; D419-L423 WeakPolarHBondContact O-CB 3.49Å; D419-L423 PolarHBondContact O-N 3.09Å; D419-N502 PolarHBondContact N-OD1 2.89Å |
| 420 | G | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -66.5 | -28.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L344 M418 Y424 R498 N502 | L344-G420 VanDerWaalsContact CD2-CA 3.46Å; M418-G420 VanDerWaalsContact C-N 3.29Å; M418-G420 PolarHBondContact O-N 3.04Å; G420-Y424 WeakPolarHBondContact O-CB 3.21Å; G420-Y424 PolarHBondContact O-N 3.21Å; G420-Y424 VanDerWaalsContact O-N 3.13Å; G420-R498 VanDerWaalsContact C-CG 3.44Å; G420-R498 WeakPolarHBondContact O-CD 3.32Å; G420-N502 WeakPolarHBondContact CA-OD1 3.34Å; G420-N502 PolarHBondContact N-OD1 3.4Å |
| 421 | T | 94.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 3.7 Ų | 3.7 | 3% | 0.031 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -73.7 | -47.8 | 175 | -52.5 | 0 | 0 | 0 | 0 | 110.5 | M418 D419 L423 Y424 E425 A459 R498 N502 | M418-T421 WeakPolarHBondContact CB-OG1 3.33Å; M418-T421 WeakPolarHBondContact O-CA 3.45Å; M418-T421 WeakPolarHBondContact O-CB 3.36Å; M418-T421 PolarHBondContact O-N 3.35Å; D419-T421 VanDerWaalsContact C-N 3.28Å; D419-T421 PolarHBondContact O-N 3.17Å; T421-L423 PolarHBondContact O-N 3.44Å; T421-Y424 PolarHBondContact O-N 3.12Å; T421-E425 HydrophobicContact CG2-CG 4.32Å; T421-E425 WeakPolarHBondContact CG2-OE1 3.5Å; T421-E425 WeakPolarHBondContact O-CB 3.48Å; T421-E425 VanDerWaalsContact O-CG 3.27Å; T421-E425 WeakPolarHBondContact O-CG 3.13Å; T421-E425 PolarHBondContact O-N 3.01Å; T421-A459 HydrophobicContact CG2-CB 4.41Å; T421-R498 WeakPolarHBondContact OG1-CD 3.44Å; T421-N502 PolarHBondContact OG1-ND2 3.28Å |
| 422 | A | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T151 V155 M418 D419 E425 A426 | T151-A422 HydrophobicContact CG2-CB 3.62Å; V155-A422 HydrophobicContact CG2-CB 3.45Å; V155-A422 VanDerWaalsContact CG2-CB 3.45Å; M418-A422 PolarHBondContact O-N 3.43Å; D419-A422 PolarHBondContact O-N 3.46Å; A422-E425 PolarHBondContact O-N 2.86Å; A422-A426 WeakPolarHBondContact O-CB 3.45Å; A422-A426 PolarHBondContact O-N 2.65Å |
| 423 | L | 96.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 3 Ų | 3 | 1% | 0.005 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -59.8 | -50.1 | 175.3 | -175.2 | 156.6 | 0 | 0 | 0 | 111.2 | A154 E157 L344 D419 T421 E425 A426 V427 | A154-L423 HydrophobicContact CB-CB 4.18Å; A154-L423 HydrophobicContact CB-CD1 4.49Å; A154-L423 WeakPolarHBondContact O-CD1 3.38Å; A154-L423 WeakPolarHBondContact O-CG 3.45Å; E157-L423 HydrophobicContact CG-CD1 4.46Å; L344-L423 HydrophobicContact CD2-CD2 4.4Å; L344-L423 HydrophobicContact CG-CD2 4.44Å; D419-L423 WeakPolarHBondContact O-CB 3.49Å; D419-L423 PolarHBondContact O-N 3.09Å; T421-L423 PolarHBondContact O-N 3.44Å; L423-E425 PolarHBondContact O-N 3.36Å; L423-A426 PolarHBondContact O-N 3.12Å; L423-V427 HydrophobicContact CD2-CG2 4.09Å; L423-V427 VanDerWaalsContact O-CG2 3.3Å; L423-V427 WeakPolarHBondContact O-CG2 3.18Å; L423-V427 PolarHBondContact O-N 3.33Å |
| 424 | Y | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 3.6 Ų | 3.6 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 179.1 | 163.8 | -89.7 | 0 | 0 | 0 | 112.1 | Y336 V340 G420 T421 V427 A428 M470 I487 D491 L494 R498 | Y336-Y424 VanDerWaalsContact OH-CD2 3.27Å; Y336-Y424 WeakPolarHBondContact OH-CD2 3.28Å; Y336-Y424 WeakPolarHBondContact OH-CE2 3.37Å; V340-Y424 HydrophobicContact CG1-CD2 4.11Å; V340-Y424 HydrophobicContact CG2-CD2 4.36Å; G420-Y424 WeakPolarHBondContact O-CB 3.21Å; G420-Y424 PolarHBondContact O-N 3.21Å; G420-Y424 VanDerWaalsContact O-N 3.13Å; T421-Y424 PolarHBondContact O-N 3.12Å; Y424-V427 PolarHBondContact O-N 3.36Å; Y424-A428 WeakPolarHBondContact O-CB 3.49Å; Y424-A428 PolarHBondContact O-N 3.32Å; Y424-M470 HydrophobicContact CE1-SD 4.23Å; Y424-I487 WeakPolarHBondContact OH-CD1 3.48Å; Y424-D491 VanDerWaalsContact CZ-OD1 3.3Å; Y424-D491 PolarHBondContact OH-OD1 2.98Å; Y424-L494 HydrophobicContact CD2-CB 4.37Å; Y424-L494 HydrophobicContact CD2-CD1 4.25Å; Y424-L494 HydrophobicContact CE2-CB 4.27Å; Y424-L494 HydrophobicContact CE2-CD1 3.95Å; Y424-R498 VanDerWaalsContact CE1-NH1 3.26Å; Y424-R498 VanDerWaalsContact CE2-NH1 3.34Å |
| 425 | E | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.023 | C | C | . | . | H | α-helix | trans | -64.3 | -43.2 | -178.6 | -74.5 | 172.9 | 167.7 | 0 | 0 | 111.6 | T421 A422 L423 A428 A429 A452 A455 T469 M470 V473 | T421-E425 HydrophobicContact CG2-CG 4.32Å; T421-E425 WeakPolarHBondContact CG2-OE1 3.5Å; T421-E425 WeakPolarHBondContact O-CB 3.48Å; T421-E425 VanDerWaalsContact O-CG 3.27Å; T421-E425 WeakPolarHBondContact O-CG 3.13Å; T421-E425 PolarHBondContact O-N 3.01Å; A422-E425 PolarHBondContact O-N 2.86Å; L423-E425 PolarHBondContact O-N 3.36Å; E425-A428 PolarHBondContact O-N 3.21Å; E425-A429 WeakPolarHBondContact O-CB 3.28Å; E425-A429 PolarHBondContact O-N 2.98Å; E425-A452 HydrophobicContact CB-CB 4.11Å; E425-A455 WeakPolarHBondContact OE2-CB 3.13Å; E425-T469 WeakPolarHBondContact OE1-CB 3.26Å; E425-T469 PolarHBondContact OE1-OG1 3.45Å; E425-M470 HydrophobicContact CG-CB 4.11Å; E425-V473 HydrophobicContact CB-CG2 4.33Å |
| 426 | A | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V155 I159 A422 L423 L430 V448 A452 | V155-A426 HydrophobicContact CG1-CB 4.3Å; I159-A426 HydrophobicContact CG1-CB 4.19Å; A422-A426 WeakPolarHBondContact O-CB 3.45Å; A422-A426 PolarHBondContact O-N 2.65Å; L423-A426 PolarHBondContact O-N 3.12Å; A426-L430 WeakPolarHBondContact O-CB 3.2Å; A426-L430 VanDerWaalsContact O-CG 3.3Å; A426-L430 WeakPolarHBondContact O-CG 3.36Å; A426-L430 PolarHBondContact O-N 3.32Å; A426-V448 HydrophobicContact CB-CG1 3.89Å; A426-A452 HydrophobicContact CB-CB 4.11Å |
| 427 | V | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 176.9 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | G158 V162 Y336 T339 V340 L423 Y424 Y431 | G158-V427 WeakPolarHBondContact O-CG2 3.46Å; V162-V427 HydrophobicContact CB-CG1 4.23Å; V162-V427 HydrophobicContact CB-CG2 4.42Å; V162-V427 HydrophobicContact CG2-CG1 4.22Å; Y336-V427 HydrophobicContact CD2-CG1 4.11Å; Y336-V427 HydrophobicContact CE2-CG1 3.97Å; T339-V427 HydrophobicContact CG2-CG1 3.62Å; T339-V427 HydrophobicContact CG2-CG2 4.27Å; V340-V427 HydrophobicContact CG2-CB 4.05Å; V340-V427 HydrophobicContact CG2-CG1 3.6Å; L423-V427 HydrophobicContact CD2-CG2 4.09Å; L423-V427 VanDerWaalsContact O-CG2 3.3Å; L423-V427 WeakPolarHBondContact O-CG2 3.18Å; L423-V427 PolarHBondContact O-N 3.33Å; Y424-V427 PolarHBondContact O-N 3.36Å; V427-Y431 WeakPolarHBondContact O-CB 3.42Å; V427-Y431 PolarHBondContact O-N 2.97Å |
| 428 | A | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.7 | -48.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y336 Y424 E425 L430 Y431 I432 M470 I487 | Y336-A428 HydrophobicContact CE2-CB 4Å; Y424-A428 WeakPolarHBondContact O-CB 3.49Å; Y424-A428 PolarHBondContact O-N 3.32Å; E425-A428 PolarHBondContact O-N 3.21Å; A428-L430 VanDerWaalsContact C-N 3.34Å; A428-L430 PolarHBondContact O-N 3.13Å; A428-Y431 PolarHBondContact O-N 2.9Å; A428-I432 VanDerWaalsContact O-CG1 3.3Å; A428-I432 WeakPolarHBondContact O-CG1 3.44Å; A428-I432 PolarHBondContact O-N 3.47Å; A428-M470 HydrophobicContact CB-CG 4.38Å; A428-M470 HydrophobicContact CB-SD 3.47Å; A428-M470 WeakPolarHBondContact CB-SD 3.42Å; A428-I487 HydrophobicContact CB-CD1 3.73Å |
| 429 | A | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E425 I432 A433 V448 V473 L474 I477 | E425-A429 WeakPolarHBondContact O-CB 3.28Å; E425-A429 PolarHBondContact O-N 2.98Å; A429-I432 PolarHBondContact O-N 2.87Å; A429-A433 PolarHBondContact O-N 3.06Å; A429-V448 HydrophobicContact CB-CG1 4.36Å; A429-V448 HydrophobicContact CB-CG2 4.34Å; A429-V473 HydrophobicContact CB-CG1 3.63Å; A429-L474 HydrophobicContact CB-CD2 4.16Å; A429-I477 HydrophobicContact CB-CD1 4.1Å |
| 430 | L | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.7 | -35.5 | 179.3 | -64.7 | 174.1 | 0 | 0 | 0 | 112.4 | I159 V162 M163 A426 A428 A433 Q434 L440 V448 | I159-L430 HydrophobicContact CB-CD1 4.37Å; I159-L430 HydrophobicContact CG1-CD1 3.87Å; I159-L430 HydrophobicContact CG2-CD1 4.32Å; V162-L430 HydrophobicContact CG1-CB 3.67Å; V162-L430 HydrophobicContact CG1-CD1 3.44Å; V162-L430 VanDerWaalsContact CG1-CD1 3.44Å; V162-L430 HydrophobicContact CG1-CG 4.19Å; V162-L430 HydrophobicContact CG2-CB 4.02Å; M163-L430 HydrophobicContact CE-CD1 3.73Å; M163-L430 HydrophobicContact CE-CD2 3.76Å; M163-L430 HydrophobicContact CE-CG 4.21Å; A426-L430 WeakPolarHBondContact O-CB 3.2Å; A426-L430 VanDerWaalsContact O-CG 3.3Å; A426-L430 WeakPolarHBondContact O-CG 3.36Å; A426-L430 PolarHBondContact O-N 3.32Å; A428-L430 VanDerWaalsContact C-N 3.34Å; A428-L430 PolarHBondContact O-N 3.13Å; L430-A433 PolarHBondContact O-N 2.61Å; L430-Q434 WeakPolarHBondContact O-CB 3.3Å; L430-Q434 VanDerWaalsContact O-CG 3.24Å; L430-Q434 WeakPolarHBondContact O-CG 3.08Å; L430-Q434 PolarHBondContact O-N 2.95Å; L430-L440 HydrophobicContact CD2-CD1 3.97Å; L430-L440 HydrophobicContact CD2-CD2 3.61Å; L430-L440 HydrophobicContact CD2-CG 4.39Å; L430-V448 HydrophobicContact CD1-CG1 4.36Å; L430-V448 HydrophobicContact CD2-CB 4.46Å; L430-V448 HydrophobicContact CD2-CG2 3.89Å; L430-V448 HydrophobicContact CG-CG1 4.19Å; L430-V448 HydrophobicContact CG-CG2 4.33Å |
| 431 | Y | 92.5 | Very high | 91.1 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -45.7 | 172.4 | 166.2 | -109.5 | 0 | 0 | 0 | 111.6 | P167 L333 Y336 V427 A428 Q434 T435 L486 I487 | P167-Y431 HydrophobicContact CB-CD2 3.99Å; P167-Y431 HydrophobicContact CB-CE2 4.37Å; P167-Y431 HydrophobicContact CG-CD2 3.93Å; L333-Y431 HydrophobicContact CD2-CE1 4.24Å; Y336-Y431 AromaticContact CD2-CD1 3.63Å; Y336-Y431 HydrophobicContact CD2-CD1 3.63Å; Y336-Y431 HydrophobicContact CD2-CD2 4.36Å; Y336-Y431 HydrophobicContact CD2-CE1 4.29Å; Y336-Y431 AromaticContact CD2-CG 3.66Å; Y336-Y431 HydrophobicContact CD2-CG 3.66Å; Y336-Y431 HydrophobicContact CE2-CD1 4.31Å; Y336-Y431 AromaticContact CG-CD1 3.86Å; Y336-Y431 HydrophobicContact CG-CD1 3.86Å; Y336-Y431 HydrophobicContact CG-CE1 4.05Å; Y336-Y431 HydrophobicContact CG-CG 4.12Å; V427-Y431 WeakPolarHBondContact O-CB 3.42Å; V427-Y431 PolarHBondContact O-N 2.97Å; A428-Y431 PolarHBondContact O-N 2.9Å; Y431-Q434 PolarHBondContact O-N 3.24Å; Y431-T435 WeakPolarHBondContact O-CB 3.45Å; Y431-T435 PolarHBondContact O-N 3.03Å; Y431-T435 PolarHBondContact O-OG1 2.81Å; Y431-L486 HydrophobicContact CE1-CD2 3.68Å; Y431-L486 HydrophobicContact CE1-CG 4.28Å; Y431-I487 HydrophobicContact CD1-CG2 3.97Å; Y431-I487 HydrophobicContact CE1-CG2 3.9Å |
| 432 | I | 90.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 176.9 | -67.9 | 166.4 | 0 | 0 | 0 | 109.9 | A428 A429 Q434 T435 L436 L474 L479 Y483 | A428-I432 VanDerWaalsContact O-CG1 3.3Å; A428-I432 WeakPolarHBondContact O-CG1 3.44Å; A428-I432 PolarHBondContact O-N 3.47Å; A429-I432 PolarHBondContact O-N 2.87Å; I432-Q434 PolarHBondContact O-N 3.3Å; I432-T435 PolarHBondContact O-N 2.71Å; I432-L436 HydrophobicContact CG2-CD1 3.94Å; I432-L436 HydrophobicContact CG2-CG 4.49Å; I432-L436 WeakPolarHBondContact O-CG 3.33Å; I432-L436 PolarHBondContact O-N 3.37Å; I432-L474 HydrophobicContact CD1-CD1 4.19Å; I432-L474 HydrophobicContact CD1-CD2 3.93Å; I432-L479 HydrophobicContact CB-CD1 4.2Å; I432-L479 HydrophobicContact CG2-CD1 3.85Å; I432-Y483 HydrophobicContact CG2-CD2 4.37Å; I432-Y483 HydrophobicContact CG2-CG 4.19Å |
| 433 | A | 91.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.2 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A429 L430 T435 L436 R437 L438 L440 L479 | A429-A433 PolarHBondContact O-N 3.06Å; L430-A433 PolarHBondContact O-N 2.61Å; A433-T435 VanDerWaalsContact C-N 3.35Å; A433-L436 PolarHBondContact O-N 2.81Å; A433-R437 PolarHBondContact O-N 3.47Å; A433-L438 PolarHBondContact O-N 2.78Å; A433-L440 HydrophobicContact CB-CD1 4.16Å; A433-L440 HydrophobicContact CB-CD2 3.58Å; A433-L440 HydrophobicContact CB-CG 4.07Å; A433-L479 HydrophobicContact CB-CD1 4.11Å |
| 434 | Q | 91.6 | Very high | 90.2 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -43.1 | 176.1 | -75.3 | 172.9 | -1.7 | 0 | 0 | 111.5 | V162 G168 L430 Y431 I432 L436 R437 L440 | V162-Q434 PolarHBondContact O-NE2 3.41Å; G168-Q434 VanDerWaalsContact N-OE1 3.15Å; L430-Q434 WeakPolarHBondContact O-CB 3.3Å; L430-Q434 VanDerWaalsContact O-CG 3.24Å; L430-Q434 WeakPolarHBondContact O-CG 3.08Å; L430-Q434 PolarHBondContact O-N 2.95Å; Y431-Q434 PolarHBondContact O-N 3.24Å; I432-Q434 PolarHBondContact O-N 3.3Å; Q434-L436 VanDerWaalsContact C-N 3.28Å; Q434-L436 PolarHBondContact O-N 3.19Å; Q434-R437 WeakPolarHBondContact O-CA 3.17Å; Q434-R437 PolarHBondContact O-N 3.38Å; Q434-L440 HydrophobicContact CG-CD1 3.81Å |
| 435 | T | 87.9 | Confident | 89.9 | Confident | 15 Ų | 15 | 44.9 Ų | 44.9 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.2 | -34.7 | -179.4 | -51.3 | 0 | 0 | 0 | 0 | 112 | G168 S171 F174 Y431 I432 A433 R437 | G168-T435 WeakPolarHBondContact CA-OG1 3.01Å; S171-T435 WeakPolarHBondContact OG-CG2 3.42Å; S171-T435 PolarHBondContact OG-OG1 3.25Å; F174-T435 HydrophobicContact CD2-CG2 3.34Å; F174-T435 HydrophobicContact CE2-CG2 3.22Å; F174-T435 HydrophobicContact CZ-CG2 4.44Å; Y431-T435 WeakPolarHBondContact O-CB 3.45Å; Y431-T435 PolarHBondContact O-N 3.03Å; Y431-T435 PolarHBondContact O-OG1 2.81Å; I432-T435 PolarHBondContact O-N 2.71Å; A433-T435 VanDerWaalsContact C-N 3.35Å; T435-R437 PolarHBondContact O-N 2.67Å |
| 436 | L | 87.1 | Confident | 89.8 | Confident | 43 Ų | 43 | 50 Ų | 50 | 23% | 0.225 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 2 | 173.1 | -61.7 | 172.2 | 0 | 0 | 0 | 113.3 | F174 I432 A433 Q434 L438 L479 Y483 | F174-L436 HydrophobicContact CE1-CD2 4.15Å; F174-L436 HydrophobicContact CZ-CD2 3.92Å; I432-L436 HydrophobicContact CG2-CD1 3.94Å; I432-L436 HydrophobicContact CG2-CG 4.49Å; I432-L436 WeakPolarHBondContact O-CG 3.33Å; I432-L436 PolarHBondContact O-N 3.37Å; A433-L436 PolarHBondContact O-N 2.81Å; Q434-L436 VanDerWaalsContact C-N 3.28Å; Q434-L436 PolarHBondContact O-N 3.19Å; L436-L438 HydrophobicContact CB-CG 4.11Å; L436-L438 PolarHBondContact O-N 2.85Å; L436-L479 HydrophobicContact CD1-CD2 3.67Å; L436-Y483 HydrophobicContact CD1-CD2 3.51Å; L436-Y483 HydrophobicContact CD1-CE2 3.41Å; L436-Y483 VanDerWaalsContact CD1-CE2 3.41Å; L436-Y483 HydrophobicContact CD1-CG 4.16Å; L436-Y483 HydrophobicContact CD2-CD1 4.24Å; L436-Y483 HydrophobicContact CD2-CD2 4.31Å; L436-Y483 HydrophobicContact CD2-CE1 3.8Å; L436-Y483 HydrophobicContact CD2-CE2 3.8Å; L436-Y483 HydrophobicContact CD2-CG 4.48Å; L436-Y483 HydrophobicContact CG-CD2 4.45Å; L436-Y483 HydrophobicContact CG-CE2 4.24Å |
| 437 | R | 86.6 | Confident | 89.7 | Confident | 211 Ų | 211 | 53.1 Ų | 53.1 | 80% | 0.796 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 32.9 | -178.2 | -54.4 | -177.3 | 179 | 179.1 | 0.4 | 113.5 | A433 Q434 T435 | A433-R437 PolarHBondContact O-N 3.47Å; Q434-R437 WeakPolarHBondContact O-CA 3.17Å; Q434-R437 PolarHBondContact O-N 3.38Å; T435-R437 PolarHBondContact O-N 2.67Å |
| 438 | L | 85.5 | Confident | 89.6 | Confident | 93 Ų | 93 | 53.1 Ų | 53.1 | 49% | 0.487 | 27% | 0.274 | S | S | . | . | trans | -76.7 | 136.6 | 173.5 | -63.2 | -178.7 | 0 | 0 | 0 | 110.2 | A433 L436 L440 L479 | A433-L438 PolarHBondContact O-N 2.78Å; L436-L438 HydrophobicContact CB-CG 4.11Å; L436-L438 PolarHBondContact O-N 2.85Å; L438-L440 PolarHBondContact O-N 3.32Å; L438-L440 VanDerWaalsContact O-N 3.1Å; L438-L479 HydrophobicContact CD1-CD2 3.32Å; L438-L479 HydrophobicContact CD1-CG 4.5Å | ||
| 439 | E | 80.3 | Confident | 89.6 | Confident | 186 Ų | 186 | 54 Ų | 54 | 87% | 0.869 | 28% | 0.279 | S | S | * | . | trans | -71.1 | 106.1 | 174.2 | -66.4 | -162.4 | 162.7 | 0 | 0 | 110.3 | S441 | E439-S441 PolarHBondContact O-N 3.22Š| ||
| 440 | L | 82.2 | Confident | 89.5 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 23% | 0.225 | 31% | 0.305 | C | S | . | . | trans | -75.9 | 90.6 | 177.5 | -72.1 | 166.4 | 0 | 0 | 0 | 110.2 | M163 L430 A433 Q434 L438 H444 | M163-L440 HydrophobicContact CE-CB 4.18Å; M163-L440 HydrophobicContact CE-CD1 3.74Å; M163-L440 HydrophobicContact CE-CG 4.48Å; M163-L440 HydrophobicContact SD-CD1 4.43Å; L430-L440 HydrophobicContact CD2-CD1 3.97Å; L430-L440 HydrophobicContact CD2-CD2 3.61Å; L430-L440 HydrophobicContact CD2-CG 4.39Å; A433-L440 HydrophobicContact CB-CD1 4.16Å; A433-L440 HydrophobicContact CB-CD2 3.58Å; A433-L440 HydrophobicContact CB-CG 4.07Å; Q434-L440 HydrophobicContact CG-CD1 3.81Å; L438-L440 PolarHBondContact O-N 3.32Å; L438-L440 VanDerWaalsContact O-N 3.1Å; L440-H444 HydrophobicContact CD2-CB 4.19Å | ||
| 441 | S | 87.7 | Confident | 89.3 | Confident | 61 Ų | 61 | 59 Ų | 59 | 43% | 0.427 | 31% | 0.306 | S | S | . | . | trans | -65.8 | 159.4 | 171.4 | 79 | 0 | 0 | 0 | 0 | 111.5 | E439 G443 H444 V445 | E439-S441 PolarHBondContact O-N 3.22Å; S441-G443 PolarHBondContact O-N 3.49Å; S441-G443 VanDerWaalsContact O-N 3.11Å; S441-G443 PolarHBondContact OG-N 3.07Å; S441-H444 PolarHBondContact O-N 3.07Å; S441-H444 PolarHBondContact OG-ND1 2.84Å; S441-V445 PolarHBondContact O-N 3.4Å | ||
| 442 | L | 88.4 | Confident | 89.4 | Confident | 136 Ų | 136 | 59 Ų | 59 | 71% | 0.712 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -53.7 | -33.3 | 174.2 | -177.5 | 64.3 | 0 | 0 | 0 | 112.2 | V445 I446 | L442-V445 PolarHBondContact O-N 2.61Å; L442-I446 HydrophobicContact CG-CD1 4.09Å; L442-I446 WeakPolarHBondContact O-CG1 3.34Å; L442-I446 PolarHBondContact O-N 3.15Å; L442-I446 VanDerWaalsContact O-N 3.09Å |
| 443 | G | 89 | Confident | 89.4 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 46% | 0.464 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | S441 V445 I446 L447 | S441-G443 PolarHBondContact O-N 3.49Å; S441-G443 VanDerWaalsContact O-N 3.11Å; S441-G443 PolarHBondContact OG-N 3.07Å; G443-V445 VanDerWaalsContact C-N 3.34Å; G443-V445 PolarHBondContact O-N 2.92Å; G443-I446 PolarHBondContact O-N 2.83Å; G443-L447 WeakPolarHBondContact O-CB 3.29Å; G443-L447 PolarHBondContact O-N 2.8Å |
| 444 | H | 89.8 | Confident | 89.2 | Confident | 69 Ų | 69 | 61.6 Ų | 61.6 | 32% | 0.319 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 175.9 | -68.8 | 90.4 | 0 | 0 | 0 | 111.3 | L440 S441 I446 L447 V448 | L440-H444 HydrophobicContact CD2-CB 4.19Å; S441-H444 PolarHBondContact O-N 3.07Å; S441-H444 PolarHBondContact OG-ND1 2.84Å; H444-I446 PolarHBondContact O-N 3.41Å; H444-L447 PolarHBondContact O-N 3.1Å; H444-V448 WeakPolarHBondContact O-CG2 3.39Å; H444-V448 PolarHBondContact O-N 3.17Å |
| 445 | V | 90.3 | Very high | 89 | Confident | 25 Ų | 25 | 61 Ų | 61 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 178.8 | 180 | 0 | 0 | 0 | 0 | 111.8 | I159 M163 S441 L442 G443 S449 | I159-V445 HydrophobicContact CD1-CG1 4.13Å; I159-V445 HydrophobicContact CG2-CG1 3.45Å; I159-V445 VanDerWaalsContact CG2-CG1 3.45Å; M163-V445 HydrophobicContact CE-CG2 3.47Å; M163-V445 VanDerWaalsContact CE-CG2 3.47Å; S441-V445 PolarHBondContact O-N 3.4Å; L442-V445 PolarHBondContact O-N 2.61Å; G443-V445 VanDerWaalsContact C-N 3.34Å; G443-V445 PolarHBondContact O-N 2.92Å; V445-S449 WeakPolarHBondContact O-CB 3.08Å; V445-S449 PolarHBondContact O-N 3.1Å |
| 446 | I | 92.4 | Very high | 89 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 55% | 0.549 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 176.3 | -66.6 | 167.8 | 0 | 0 | 0 | 110.5 | L442 G443 H444 S449 L450 | L442-I446 HydrophobicContact CG-CD1 4.09Å; L442-I446 WeakPolarHBondContact O-CG1 3.34Å; L442-I446 PolarHBondContact O-N 3.15Å; L442-I446 VanDerWaalsContact O-N 3.09Å; G443-I446 PolarHBondContact O-N 2.83Å; H444-I446 PolarHBondContact O-N 3.41Å; I446-S449 WeakPolarHBondContact O-CB 3.35Å; I446-S449 PolarHBondContact O-N 3.01Å; I446-L450 PolarHBondContact O-N 3.32Å |
| 447 | L | 92.4 | Very high | 89 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 35% | 0.346 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 179.7 | -174.1 | 54.8 | 0 | 0 | 0 | 112.1 | G443 H444 S449 L450 T451 A476 I477 | G443-L447 WeakPolarHBondContact O-CB 3.29Å; G443-L447 PolarHBondContact O-N 2.8Å; H444-L447 PolarHBondContact O-N 3.1Å; L447-S449 VanDerWaalsContact C-N 3.31Å; L447-S449 PolarHBondContact O-N 3.43Å; L447-L450 PolarHBondContact O-N 3.01Å; L447-T451 HydrophobicContact CD1-CG2 3.84Å; L447-T451 HydrophobicContact CG-CG2 4.39Å; L447-T451 WeakPolarHBondContact O-CB 3.02Å; L447-T451 VanDerWaalsContact O-CG2 3.25Å; L447-T451 WeakPolarHBondContact O-CG2 3.46Å; L447-T451 PolarHBondContact O-N 3.49Å; L447-T451 PolarHBondContact O-OG1 3.03Å; L447-A476 WeakPolarHBondContact CD2-O 3.44Å; L447-I477 HydrophobicContact CB-CG2 4.36Å; L447-I477 HydrophobicContact CD2-CG2 4.12Å; L447-I477 HydrophobicContact CG-CG2 4.11Å |
| 448 | V | 93.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 171.8 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | A426 A429 L430 H444 L450 T451 A452 V473 I477 | A426-V448 HydrophobicContact CB-CG1 3.89Å; A429-V448 HydrophobicContact CB-CG1 4.36Å; A429-V448 HydrophobicContact CB-CG2 4.34Å; L430-V448 HydrophobicContact CD1-CG1 4.36Å; L430-V448 HydrophobicContact CD2-CB 4.46Å; L430-V448 HydrophobicContact CD2-CG2 3.89Å; L430-V448 HydrophobicContact CG-CG1 4.19Å; L430-V448 HydrophobicContact CG-CG2 4.33Å; H444-V448 WeakPolarHBondContact O-CG2 3.39Å; H444-V448 PolarHBondContact O-N 3.17Å; V448-L450 PolarHBondContact O-N 3.47Å; V448-T451 WeakPolarHBondContact CA-OG1 3.38Å; V448-T451 PolarHBondContact O-N 3.16Å; V448-T451 PolarHBondContact O-OG1 3.5Å; V448-A452 WeakPolarHBondContact O-CB 3.48Å; V448-A452 PolarHBondContact O-N 2.94Å; V448-V473 HydrophobicContact CG1-CG1 4.3Å; V448-I477 HydrophobicContact CG2-CD1 4.05Å; V448-I477 HydrophobicContact CG2-CG2 3.61Å |
| 449 | S | 93.2 | Very high | 88 | Confident | 17 Ų | 17 | 47.5 Ų | 47.5 | 12% | 0.119 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -49.1 | -179.2 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | V155 V445 I446 L447 T453 | V155-S449 WeakPolarHBondContact CG1-OG 3.44Å; V445-S449 WeakPolarHBondContact O-CB 3.08Å; V445-S449 PolarHBondContact O-N 3.1Å; I446-S449 WeakPolarHBondContact O-CB 3.35Å; I446-S449 PolarHBondContact O-N 3.01Å; L447-S449 VanDerWaalsContact C-N 3.31Å; L447-S449 PolarHBondContact O-N 3.43Å; S449-T453 WeakPolarHBondContact O-CB 3.42Å; S449-T453 PolarHBondContact O-N 3.37Å; S449-T453 VanDerWaalsContact O-N 3.16Å; S449-T453 PolarHBondContact O-OG1 2.99Å |
| 450 | L | 91.6 | Very high | 87.5 | Confident | 103 Ų | 103 | 39.9 Ų | 39.9 | 54% | 0.539 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.1 | -45.2 | 179.3 | -178.4 | 61.6 | 0 | 0 | 0 | 111.9 | I446 L447 V448 T453 L454 | I446-L450 PolarHBondContact O-N 3.32Å; L447-L450 PolarHBondContact O-N 3.01Å; V448-L450 PolarHBondContact O-N 3.47Å; L450-T453 PolarHBondContact O-N 3.36Å; L450-L454 HydrophobicContact CD1-CD1 4.36Å; L450-L454 HydrophobicContact CG-CD1 4.13Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.28Å; L450-L454 PolarHBondContact O-N 3.43Å |
| 451 | T | 91.6 | Very high | 86.7 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.025 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.4 | -35.9 | -174.6 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | L447 V448 L454 A455 M472 A476 | L447-T451 HydrophobicContact CD1-CG2 3.84Å; L447-T451 HydrophobicContact CG-CG2 4.39Å; L447-T451 WeakPolarHBondContact O-CB 3.02Å; L447-T451 VanDerWaalsContact O-CG2 3.25Å; L447-T451 WeakPolarHBondContact O-CG2 3.46Å; L447-T451 PolarHBondContact O-N 3.49Å; L447-T451 PolarHBondContact O-OG1 3.03Å; V448-T451 WeakPolarHBondContact CA-OG1 3.38Å; V448-T451 PolarHBondContact O-N 3.16Å; V448-T451 PolarHBondContact O-OG1 3.5Å; T451-L454 PolarHBondContact O-N 2.99Å; T451-A455 VanDerWaalsContact O-CB 3.27Å; T451-A455 WeakPolarHBondContact O-CB 3.3Å; T451-A455 PolarHBondContact O-N 2.84Å; T451-M472 WeakPolarHBondContact O-CE 2.91Å; T451-A476 HydrophobicContact CG2-CB 3.54Å |
| 452 | A | 93.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.3 | -40.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V155 E425 A426 V448 L454 A455 S456 V473 | V155-A452 HydrophobicContact CG2-CB 4.42Å; E425-A452 HydrophobicContact CB-CB 4.11Å; A426-A452 HydrophobicContact CB-CB 4.11Å; V448-A452 WeakPolarHBondContact O-CB 3.48Å; V448-A452 PolarHBondContact O-N 2.94Å; A452-L454 PolarHBondContact O-N 3.37Å; A452-A455 PolarHBondContact O-N 3.34Å; A452-S456 WeakPolarHBondContact O-CB 3.42Å; A452-S456 PolarHBondContact O-N 3.37Å; A452-V473 HydrophobicContact CB-CG2 4.38Å |
| 453 | T | 91.3 | Very high | 84.6 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.055 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.5 | -47.8 | 172.9 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | F148 T151 S449 L450 S456 I457 | F148-T453 HydrophobicContact CE2-CG2 4.43Å; T151-T453 HydrophobicContact CG2-CG2 4.1Å; S449-T453 WeakPolarHBondContact O-CB 3.42Å; S449-T453 PolarHBondContact O-N 3.37Å; S449-T453 VanDerWaalsContact O-N 3.16Å; S449-T453 PolarHBondContact O-OG1 2.99Å; L450-T453 PolarHBondContact O-N 3.36Å; T453-S456 PolarHBondContact O-N 3.15Å; T453-S456 PolarHBondContact O-OG 3.34Å; T453-I457 WeakPolarHBondContact O-CG1 3.22Å; T453-I457 PolarHBondContact O-N 2.99Å |
| 454 | L | 87.8 | Confident | 83.6 | Confident | 48 Ų | 48 | 39 Ų | 39 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65 | -40.6 | 178.3 | -70.7 | 169.1 | 0 | 0 | 0 | 113.1 | I194 L450 T451 A452 S456 I457 G458 M472 | I194-L454 HydrophobicContact CD1-CD1 4.22Å; I194-L454 HydrophobicContact CD1-CD2 4.3Å; I194-L454 HydrophobicContact CG1-CD2 4.33Å; L450-L454 HydrophobicContact CD1-CD1 4.36Å; L450-L454 HydrophobicContact CG-CD1 4.13Å; L450-L454 VanDerWaalsContact O-CG 3.3Å; L450-L454 WeakPolarHBondContact O-CG 3.28Å; L450-L454 PolarHBondContact O-N 3.43Å; T451-L454 PolarHBondContact O-N 2.99Å; A452-L454 PolarHBondContact O-N 3.37Å; L454-S456 VanDerWaalsContact C-N 3.32Å; L454-S456 PolarHBondContact O-N 2.98Å; L454-I457 PolarHBondContact O-N 2.67Å; L454-G458 PolarHBondContact O-N 3.43Å; L454-M472 HydrophobicContact CB-CE 4.37Å |
| 455 | A | 87.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E425 T451 A452 I457 G458 A459 M472 V473 | E425-A455 WeakPolarHBondContact OE2-CB 3.13Å; T451-A455 VanDerWaalsContact O-CB 3.27Å; T451-A455 WeakPolarHBondContact O-CB 3.3Å; T451-A455 PolarHBondContact O-N 2.84Å; A452-A455 PolarHBondContact O-N 3.34Å; A455-I457 VanDerWaalsContact C-N 3.28Å; A455-I457 PolarHBondContact O-N 3.4Å; A455-G458 CarbonylContact O-C 3.02Å; A455-G458 PolarHBondContact O-N 3.47Å; A455-G458 VanDerWaalsContact O-N 3.14Å; A455-A459 PolarHBondContact O-N 2.78Å; A455-M472 HydrophobicContact CB-CE 3.47Å; A455-M472 VanDerWaalsContact CB-CE 3.47Å; A455-M472 HydrophobicContact CB-SD 4.38Å; A455-V473 HydrophobicContact CB-CG2 3.98Å |
| 456 | S | 88.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -28.9 | 178.8 | 78 | 0 | 0 | 0 | 0 | 114.1 | T151 A452 T453 L454 | T151-S456 WeakPolarHBondContact CG2-OG 3.37Å; A452-S456 WeakPolarHBondContact O-CB 3.42Å; A452-S456 PolarHBondContact O-N 3.37Å; T453-S456 PolarHBondContact O-N 3.15Å; T453-S456 PolarHBondContact O-OG 3.34Å; L454-S456 VanDerWaalsContact C-N 3.32Å; L454-S456 PolarHBondContact O-N 2.98Å |
| 457 | I | 85.9 | Confident | 81.5 | Confident | 46 Ų | 46 | 30.8 Ų | 30.8 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -75.2 | -34.6 | 175.3 | -64.1 | 168.1 | 0 | 0 | 0 | 111.2 | L197 I416 T453 L454 A455 | L197-I457 HydrophobicContact CD1-CG2 3.91Å; L197-I457 HydrophobicContact CD2-CG2 3.74Å; I416-I457 HydrophobicContact CB-CG2 4.16Å; I416-I457 HydrophobicContact CG2-CG2 4.04Å; T453-I457 WeakPolarHBondContact O-CG1 3.22Å; T453-I457 PolarHBondContact O-N 2.99Å; L454-I457 PolarHBondContact O-N 2.67Å; A455-I457 VanDerWaalsContact C-N 3.28Å; A455-I457 PolarHBondContact O-N 3.4Å |
| 458 | G | 74.7 | Confident | 80.9 | Confident | 28 Ų | 28 | 29.5 Ų | 29.5 | 29% | 0.289 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -84.6 | -9.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | L454 A455 | L454-G458 PolarHBondContact O-N 3.43Å; A455-G458 CarbonylContact O-C 3.02Å; A455-G458 PolarHBondContact O-N 3.47Å; A455-G458 VanDerWaalsContact O-N 3.14Å |
| 459 | A | 76.9 | Confident | 80.5 | Confident | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | trans | -67.4 | 134.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | M418 T421 A455 T469 | M418-A459 HydrophobicContact CE-CB 3.98Å; M418-A459 WeakPolarHBondContact CE-O 3.18Å; M418-A459 HydrophobicContact SD-CB 3.52Å; M418-A459 VanDerWaalsContact SD-CB 3.52Å; T421-A459 HydrophobicContact CG2-CB 4.41Å; A455-A459 PolarHBondContact O-N 2.78Å; A459-T469 HydrophobicContact CB-CG2 4.02Å | ||
| 460 | A | 69.3 | Low | 80.3 | Confident | 27 Ų | 27 | 29.4 Ų | 29.4 | 22% | 0.223 | 17% | 0.173 | C | C | . | . | trans | -80.6 | 142.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | I462 A465 | A460-I462 HydrophobicContact CB-CD1 3.98Å; A460-I462 HydrophobicContact CB-CG1 3.8Å; A460-I462 PolarHBondContact O-N 3.01Å; A460-A465 WeakPolarHBondContact O-CB 3.35Å | ||
| 461 | G | 66.8 | Low | 80.1 | Confident | 9 Ų | 9 | 24.5 Ų | 24.5 | 9% | 0.093 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -70.4 | 33.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S383 S385 | S383-G461 PolarHBondContact OG-O 3.46Å; S385-G461 PolarHBondContact N-O 3.26Å; S385-G461 PolarHBondContact OG-O 3.42Å |
| 462 | I | 67.3 | Low | 79.9 | Confident | 75 Ų | 75 | 24.3 Ų | 24.3 | 39% | 0.385 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -106.4 | 156.2 | -179.8 | 64.8 | 179.8 | 0 | 0 | 0 | 110.2 | A460 A465 | A460-I462 HydrophobicContact CB-CD1 3.98Å; A460-I462 HydrophobicContact CB-CG1 3.8Å; A460-I462 PolarHBondContact O-N 3.01Å; I462-A465 HydrophobicContact CG1-CB 3.95Å; I462-A465 WeakPolarHBondContact O-CB 3.46Å; I462-A465 PolarHBondContact O-N 3.47Å |
| 463 | P | 64 | Low | 79.8 | Confident | 69 Ų | 69 | 24.3 Ų | 24.3 | 45% | 0.448 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 145.5 | 179.8 | -24.1 | 35 | 0 | 0 | 0 | 112.5 | A465 | P463-A465 PolarHBondContact O-N 3.19Å; P463-A465 VanDerWaalsContact O-N 3.08Å |
| 464 | Q | 67.1 | Low | 79.7 | Confident | 113 Ų | 113 | 23.9 Ų | 23.9 | 53% | 0.528 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 12.8 | 177.1 | -59.5 | 177.3 | -37.1 | 0 | 0 | 115.8 | G466 I467 D495 | Q464-G466 PolarHBondContact O-N 3.34Å; Q464-I467 PolarHBondContact O-N 2.76Å; Q464-D495 PolarHBondContact N-OD2 2.9Å |
| 465 | A | 72.2 | Confident | 79.8 | Confident | 10 Ų | 10 | 23.2 Ų | 23.2 | 8% | 0.083 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62 | -31.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A460 I462 P463 I467 V468 T469 | A460-A465 WeakPolarHBondContact O-CB 3.35Å; I462-A465 HydrophobicContact CG1-CB 3.95Å; I462-A465 WeakPolarHBondContact O-CB 3.46Å; I462-A465 PolarHBondContact O-N 3.47Å; P463-A465 PolarHBondContact O-N 3.19Å; P463-A465 VanDerWaalsContact O-N 3.08Å; A465-I467 VanDerWaalsContact C-N 3.31Å; A465-I467 PolarHBondContact O-N 2.83Å; A465-V468 PolarHBondContact O-N 2.95Å; A465-V468 VanDerWaalsContact O-N 3.12Å; A465-T469 PolarHBondContact O-N 3.12Å; A465-T469 PolarHBondContact O-OG1 3.42Å |
| 466 | G | 76 | Confident | 79.8 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.8 | -30.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q464 T469 M470 | Q464-G466 PolarHBondContact O-N 3.34Å; G466-T469 WeakPolarHBondContact CA-OG1 3.36Å; G466-T469 PolarHBondContact O-OG1 3.22Å; G466-M470 WeakPolarHBondContact O-CB 3.21Å; G466-M470 PolarHBondContact O-N 2.87Å |
| 467 | I | 80.6 | Confident | 79.9 | Confident | 15 Ų | 15 | 25.7 Ų | 25.7 | 8% | 0.077 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 174.8 | -72.3 | 176.3 | 0 | 0 | 0 | 110.6 | Q464 A465 T469 M470 L471 F484 M488 D491 | Q464-I467 PolarHBondContact O-N 2.76Å; A465-I467 VanDerWaalsContact C-N 3.31Å; A465-I467 PolarHBondContact O-N 2.83Å; I467-T469 VanDerWaalsContact C-N 3.33Å; I467-T469 PolarHBondContact O-N 3.44Å; I467-M470 HydrophobicContact CG2-CE 4.46Å; I467-M470 WeakPolarHBondContact O-CB 3.45Å; I467-M470 PolarHBondContact O-N 3.36Å; I467-L471 PolarHBondContact O-N 2.88Å; I467-F484 HydrophobicContact CG2-CD2 3.48Å; I467-F484 VanDerWaalsContact CG2-CD2 3.48Å; I467-F484 HydrophobicContact CG2-CE2 3.61Å; I467-M488 HydrophobicContact CD1-CG 4.22Å; I467-D491 HydrophobicContact CD1-CB 3.76Å; I467-D491 WeakPolarHBondContact CD1-OD2 3.32Å; I467-D491 HydrophobicContact CG1-CB 4.14Å; I467-D491 WeakPolarHBondContact CG1-OD2 3.13Å |
| 468 | V | 79.2 | Confident | 79.8 | Confident | 40 Ų | 40 | 25.3 Ų | 25.3 | 24% | 0.242 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | -176.9 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | P185 C186 A465 L471 | P185-V468 HydrophobicContact CB-CG2 4.08Å; C186-V468 HydrophobicContact CB-CG1 4.25Å; A465-V468 PolarHBondContact O-N 2.95Å; A465-V468 VanDerWaalsContact O-N 3.12Å; V468-L471 PolarHBondContact O-N 3.19Å |
| 469 | T | 86.6 | Confident | 80.4 | Confident | 14 Ų | 14 | 24.2 Ų | 24.2 | 9% | 0.086 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -75.8 | -28.1 | 179 | 48.9 | 0 | 0 | 0 | 0 | 112.7 | E425 A459 A465 G466 I467 L471 M472 | E425-T469 WeakPolarHBondContact OE1-CB 3.26Å; E425-T469 PolarHBondContact OE1-OG1 3.45Å; A459-T469 HydrophobicContact CB-CG2 4.02Å; A465-T469 PolarHBondContact O-N 3.12Å; A465-T469 PolarHBondContact O-OG1 3.42Å; G466-T469 WeakPolarHBondContact CA-OG1 3.36Å; G466-T469 PolarHBondContact O-OG1 3.22Å; I467-T469 VanDerWaalsContact C-N 3.33Å; I467-T469 PolarHBondContact O-N 3.44Å; T469-L471 VanDerWaalsContact C-N 3.28Å; T469-L471 PolarHBondContact O-N 3.46Å; T469-M472 WeakPolarHBondContact O-CB 3.37Å; T469-M472 PolarHBondContact O-N 3.48Å |
| 470 | M | 88.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -33.8 | 170.8 | -178.6 | -174.2 | 62.6 | 0 | 0 | 113.1 | Y424 E425 A428 G466 I467 M472 V473 L474 F484 I487 | Y424-M470 HydrophobicContact CE1-SD 4.23Å; E425-M470 HydrophobicContact CG-CB 4.11Å; A428-M470 HydrophobicContact CB-CG 4.38Å; A428-M470 HydrophobicContact CB-SD 3.47Å; A428-M470 WeakPolarHBondContact CB-SD 3.42Å; G466-M470 WeakPolarHBondContact O-CB 3.21Å; G466-M470 PolarHBondContact O-N 2.87Å; I467-M470 HydrophobicContact CG2-CE 4.46Å; I467-M470 WeakPolarHBondContact O-CB 3.45Å; I467-M470 PolarHBondContact O-N 3.36Å; M470-M472 PolarHBondContact O-N 3Å; M470-V473 WeakPolarHBondContact O-CA 3.35Å; M470-V473 WeakPolarHBondContact O-CB 3.35Å; M470-V473 PolarHBondContact O-N 3.04Å; M470-L474 PolarHBondContact O-N 3.42Å; M470-F484 HydrophobicContact CE-CB 3.6Å; M470-I487 HydrophobicContact CE-CD1 3.52Å; M470-I487 HydrophobicContact CE-CG1 4.16Å; M470-I487 HydrophobicContact SD-CD1 3.23Å; M470-I487 WeakPolarHBondContact SD-CD1 3.03Å; M470-I487 HydrophobicContact SD-CG1 4.42Å |
| 471 | L | 88.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.3 | -36.5 | 177.1 | -62.4 | 174.8 | 0 | 0 | 0 | 112 | P185 L187 M238 I467 V468 T469 V473 L474 I475 T481 F484 | P185-L471 HydrophobicContact CB-CD1 3.71Å; P185-L471 HydrophobicContact CG-CD1 3.51Å; L187-L471 HydrophobicContact CD1-CB 3.96Å; L187-L471 HydrophobicContact CD1-CD1 4.06Å; M238-L471 HydrophobicContact CE-CD1 4.04Å; I467-L471 PolarHBondContact O-N 2.88Å; V468-L471 PolarHBondContact O-N 3.19Å; T469-L471 VanDerWaalsContact C-N 3.28Å; T469-L471 PolarHBondContact O-N 3.46Å; L471-V473 VanDerWaalsContact C-N 3.28Å; L471-V473 PolarHBondContact O-N 3.47Å; L471-L474 HydrophobicContact CD2-CD1 4.4Å; L471-L474 PolarHBondContact O-N 3.19Å; L471-I475 VanDerWaalsContact O-CG1 3.24Å; L471-I475 WeakPolarHBondContact O-CG1 3.31Å; L471-I475 PolarHBondContact O-N 3.41Å; L471-T481 HydrophobicContact CD2-CG2 4.38Å; L471-F484 HydrophobicContact CD2-CB 3.74Å; L471-F484 HydrophobicContact CD2-CD1 3.84Å; L471-F484 HydrophobicContact CD2-CD2 4.44Å; L471-F484 HydrophobicContact CD2-CE1 4.49Å; L471-F484 HydrophobicContact CD2-CG 3.76Å |
| 472 | M | 86.1 | Confident | 82 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.2 | -41.1 | 174.5 | -170.5 | -160.7 | 84.6 | 0 | 0 | 111.2 | A190 T193 T451 L454 A455 T469 M470 A476 | A190-M472 VanDerWaalsContact CA-SD 3.58Å; A190-M472 HydrophobicContact CB-CE 4.23Å; A190-M472 HydrophobicContact CB-CG 4.28Å; A190-M472 HydrophobicContact CB-SD 4.22Å; T193-M472 VanDerWaalsContact CB-SD 3.57Å; T193-M472 HydrophobicContact CG2-SD 3.94Å; T193-M472 PolarHBondContact OG1-SD 3.33Å; T451-M472 WeakPolarHBondContact O-CE 2.91Å; L454-M472 HydrophobicContact CB-CE 4.37Å; A455-M472 HydrophobicContact CB-CE 3.47Å; A455-M472 VanDerWaalsContact CB-CE 3.47Å; A455-M472 HydrophobicContact CB-SD 4.38Å; T469-M472 WeakPolarHBondContact O-CB 3.37Å; T469-M472 PolarHBondContact O-N 3.48Å; M470-M472 PolarHBondContact O-N 3Å; M472-A476 WeakPolarHBondContact O-CB 3.29Å; M472-A476 PolarHBondContact O-N 3.43Å |
| 473 | V | 91 | Very high | 82.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 176.9 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | E425 A429 V448 A452 A455 M470 L471 A476 I477 | E425-V473 HydrophobicContact CB-CG2 4.33Å; A429-V473 HydrophobicContact CB-CG1 3.63Å; V448-V473 HydrophobicContact CG1-CG1 4.3Å; A452-V473 HydrophobicContact CB-CG2 4.38Å; A455-V473 HydrophobicContact CB-CG2 3.98Å; M470-V473 WeakPolarHBondContact O-CA 3.35Å; M470-V473 WeakPolarHBondContact O-CB 3.35Å; M470-V473 PolarHBondContact O-N 3.04Å; L471-V473 VanDerWaalsContact C-N 3.28Å; L471-V473 PolarHBondContact O-N 3.47Å; V473-A476 PolarHBondContact O-N 2.81Å; V473-I477 WeakPolarHBondContact O-CG1 3.33Å; V473-I477 PolarHBondContact O-N 3.36Å |
| 474 | L | 90.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 176.2 | -64.4 | -179 | 0 | 0 | 0 | 111.9 | A429 I432 M470 L471 A476 I477 G478 L479 F484 | A429-L474 HydrophobicContact CB-CD2 4.16Å; I432-L474 HydrophobicContact CD1-CD1 4.19Å; I432-L474 HydrophobicContact CD1-CD2 3.93Å; M470-L474 PolarHBondContact O-N 3.42Å; L471-L474 HydrophobicContact CD2-CD1 4.4Å; L471-L474 PolarHBondContact O-N 3.19Å; L474-A476 VanDerWaalsContact C-N 3.28Å; L474-A476 PolarHBondContact O-N 2.92Å; L474-I477 WeakPolarHBondContact O-CG1 3.45Å; L474-I477 PolarHBondContact O-N 3.4Å; L474-G478 PolarHBondContact O-N 2.95Å; L474-L479 HydrophobicContact CB-CB 4.09Å; L474-L479 HydrophobicContact CD2-CB 4.08Å; L474-L479 HydrophobicContact CD2-CD1 3.71Å; L474-L479 PolarHBondContact O-N 3.29Å; L474-F484 HydrophobicContact CD1-CB 4.16Å |
| 475 | I | 88.5 | Confident | 84.1 | Confident | 35 Ų | 35 | 17.8 Ų | 17.8 | 18% | 0.179 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.1 | -41.5 | 177.4 | -66.4 | 163 | 0 | 0 | 0 | 110.9 | L187 N189 L471 I477 G478 T481 | L187-I475 HydrophobicContact CD1-CD1 3.45Å; L187-I475 VanDerWaalsContact CD1-CD1 3.45Å; L187-I475 HydrophobicContact CD1-CG1 4.39Å; L187-I475 HydrophobicContact CD2-CD1 3.92Å; L187-I475 HydrophobicContact CG-CD1 3.54Å; N189-I475 WeakPolarHBondContact OD1-CG2 3.33Å; L471-I475 VanDerWaalsContact O-CG1 3.24Å; L471-I475 WeakPolarHBondContact O-CG1 3.31Å; L471-I475 PolarHBondContact O-N 3.41Å; I475-I477 PolarHBondContact O-N 2.91Å; I475-G478 PolarHBondContact O-N 3.12Å; I475-T481 HydrophobicContact CD1-CG2 4.2Å; I475-T481 HydrophobicContact CG1-CG2 3.7Å |
| 476 | A | 88.6 | Confident | 84.4 | Confident | 34 Ų | 34 | 19.2 Ų | 19.2 | 28% | 0.281 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -60.8 | -34.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L447 T451 M472 V473 L474 | L447-A476 WeakPolarHBondContact CD2-O 3.44Å; T451-A476 HydrophobicContact CG2-CB 3.54Å; M472-A476 WeakPolarHBondContact O-CB 3.29Å; M472-A476 PolarHBondContact O-N 3.43Å; V473-A476 PolarHBondContact O-N 2.81Å; L474-A476 VanDerWaalsContact C-N 3.28Å; L474-A476 PolarHBondContact O-N 2.92Å |
| 477 | I | 89.2 | Confident | 84.7 | Confident | 17 Ų | 17 | 19 Ų | 19 | 9% | 0.087 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 7.2 | 176.5 | 61.9 | 172.8 | 0 | 0 | 0 | 114.2 | A429 L447 V448 V473 L474 I475 L479 | A429-I477 HydrophobicContact CB-CD1 4.1Å; L447-I477 HydrophobicContact CB-CG2 4.36Å; L447-I477 HydrophobicContact CD2-CG2 4.12Å; L447-I477 HydrophobicContact CG-CG2 4.11Å; V448-I477 HydrophobicContact CG2-CD1 4.05Å; V448-I477 HydrophobicContact CG2-CG2 3.61Å; V473-I477 WeakPolarHBondContact O-CG1 3.33Å; V473-I477 PolarHBondContact O-N 3.36Å; L474-I477 WeakPolarHBondContact O-CG1 3.45Å; L474-I477 PolarHBondContact O-N 3.4Å; I475-I477 PolarHBondContact O-N 2.91Å; I477-L479 HydrophobicContact CD1-CD1 3.5Å; I477-L479 VanDerWaalsContact CD1-CD1 3.5Å; I477-L479 HydrophobicContact CD1-CG 3.82Å; I477-L479 HydrophobicContact CG1-CB 4.23Å; I477-L479 HydrophobicContact CG1-CD1 4.11Å; I477-L479 HydrophobicContact CG1-CG 3.91Å |
| 478 | G | 85.3 | Confident | 84.7 | Confident | 39 Ų | 39 | 21.4 Ų | 21.4 | 40% | 0.402 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 28.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | L474 I475 | L474-G478 PolarHBondContact O-N 2.95Å; I475-G478 PolarHBondContact O-N 3.12Å |
| 479 | L | 85.8 | Confident | 84.6 | Confident | 5 Ų | 5 | 22.1 Ų | 22.1 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | trans | -89.8 | 133.3 | 173.1 | -79.9 | -174.9 | 0 | 0 | 0 | 111.4 | I432 A433 L436 L438 L474 I477 T481 | I432-L479 HydrophobicContact CB-CD1 4.2Å; I432-L479 HydrophobicContact CG2-CD1 3.85Å; A433-L479 HydrophobicContact CB-CD1 4.11Å; L436-L479 HydrophobicContact CD1-CD2 3.67Å; L438-L479 HydrophobicContact CD1-CD2 3.32Å; L438-L479 HydrophobicContact CD1-CG 4.5Å; L474-L479 HydrophobicContact CB-CB 4.09Å; L474-L479 HydrophobicContact CD2-CB 4.08Å; L474-L479 HydrophobicContact CD2-CD1 3.71Å; L474-L479 PolarHBondContact O-N 3.29Å; I477-L479 HydrophobicContact CD1-CD1 3.5Å; I477-L479 VanDerWaalsContact CD1-CD1 3.5Å; I477-L479 HydrophobicContact CD1-CG 3.82Å; I477-L479 HydrophobicContact CG1-CB 4.23Å; I477-L479 HydrophobicContact CG1-CD1 4.11Å; I477-L479 HydrophobicContact CG1-CG 3.91Å; L479-T481 PolarHBondContact O-N 3.22Å | ||
| 480 | P | 82.7 | Confident | 84.4 | Confident | 35 Ų | 35 | 21.8 Ų | 21.8 | 23% | 0.227 | 13% | 0.128 | C | C | . | . | trans | -57.6 | 128.9 | 173.1 | -26.3 | 34.9 | 0 | 0 | 0 | 111.5 | K482 Y483 | P480-K482 VanDerWaalsContact C-N 3.28Å; P480-K482 HydrophobicContact CB-CG 4.09Å; P480-K482 PolarHBondContact O-N 2.9Å; P480-Y483 HydrophobicContact CB-CD2 3.88Å; P480-Y483 HydrophobicContact CB-CE2 3.68Å; P480-Y483 HydrophobicContact CG-CD2 4.25Å; P480-Y483 HydrophobicContact CG-CE2 3.71Å; P480-Y483 VanDerWaalsContact O-CD2 3.27Å; P480-Y483 WeakPolarHBondContact O-CD2 3.24Å; P480-Y483 PolarHBondContact O-N 2.79Å | ||
| 481 | T | 82.7 | Confident | 84.2 | Confident | 8 Ų | 8 | 21.8 Ų | 21.8 | 5% | 0.049 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -63 | -32.3 | -172.8 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | L187 L471 I475 L479 Y483 F484 | L187-T481 HydrophobicContact CD1-CG2 3.71Å; L471-T481 HydrophobicContact CD2-CG2 4.38Å; I475-T481 HydrophobicContact CD1-CG2 4.2Å; I475-T481 HydrophobicContact CG1-CG2 3.7Å; L479-T481 PolarHBondContact O-N 3.22Å; T481-Y483 PolarHBondContact O-N 2.95Å; T481-F484 WeakPolarHBondContact O-CB 3.34Å; T481-F484 WeakPolarHBondContact O-CD1 3.34Å; T481-F484 PolarHBondContact O-N 2.91Å |
| 482 | K | 81 | Confident | 83.9 | Confident | 54 Ų | 54 | 24.3 Ų | 24.3 | 24% | 0.235 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -45.4 | -31.6 | 177 | 51.6 | -173.5 | -178.3 | -168.4 | 0 | 115.5 | M238 P480 F484 I485 | M238-K482 WeakPolarHBondContact O-CB 3.24Å; P480-K482 VanDerWaalsContact C-N 3.28Å; P480-K482 HydrophobicContact CB-CG 4.09Å; P480-K482 PolarHBondContact O-N 2.9Å; K482-F484 PolarHBondContact O-N 3.23Å; K482-F484 VanDerWaalsContact O-N 3.17Å; K482-I485 WeakPolarHBondContact O-CB 3.26Å; K482-I485 WeakPolarHBondContact O-CG1 3.25Å; K482-I485 PolarHBondContact O-N 2.68Å |
| 483 | Y | 83.5 | Confident | 83.8 | Confident | 43 Ų | 43 | 27.6 Ų | 27.6 | 17% | 0.169 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -70 | -10.7 | -176.7 | -60.5 | -56.6 | 0 | 0 | 0 | 113.7 | F174 V176 I432 L436 P480 T481 I485 L486 | F174-Y483 AromaticContact CE1-CD1 3.65Å; F174-Y483 HydrophobicContact CE1-CD1 3.65Å; F174-Y483 AromaticContact CE1-CE1 3.47Å; F174-Y483 HydrophobicContact CE1-CE1 3.47Å; F174-Y483 VanDerWaalsContact CE1-CE1 3.47Å; F174-Y483 AromaticContact CZ-CD1 3.58Å; F174-Y483 HydrophobicContact CZ-CD1 3.58Å; F174-Y483 AromaticContact CZ-CE1 3.84Å; F174-Y483 HydrophobicContact CZ-CE1 3.84Å; V176-Y483 HydrophobicContact CG2-CD1 4.07Å; V176-Y483 HydrophobicContact CG2-CE1 4.11Å; I432-Y483 HydrophobicContact CG2-CD2 4.37Å; I432-Y483 HydrophobicContact CG2-CG 4.19Å; L436-Y483 HydrophobicContact CD1-CD2 3.51Å; L436-Y483 HydrophobicContact CD1-CE2 3.41Å; L436-Y483 VanDerWaalsContact CD1-CE2 3.41Å; L436-Y483 HydrophobicContact CD1-CG 4.16Å; L436-Y483 HydrophobicContact CD2-CD1 4.24Å; L436-Y483 HydrophobicContact CD2-CD2 4.31Å; L436-Y483 HydrophobicContact CD2-CE1 3.8Å; L436-Y483 HydrophobicContact CD2-CE2 3.8Å; L436-Y483 HydrophobicContact CD2-CG 4.48Å; L436-Y483 HydrophobicContact CG-CD2 4.45Å; L436-Y483 HydrophobicContact CG-CE2 4.24Å; P480-Y483 HydrophobicContact CB-CD2 3.88Å; P480-Y483 HydrophobicContact CB-CE2 3.68Å; P480-Y483 HydrophobicContact CG-CD2 4.25Å; P480-Y483 HydrophobicContact CG-CE2 3.71Å; P480-Y483 VanDerWaalsContact O-CD2 3.27Å; P480-Y483 WeakPolarHBondContact O-CD2 3.24Å; P480-Y483 PolarHBondContact O-N 2.79Å; T481-Y483 PolarHBondContact O-N 2.95Å; Y483-I485 PolarHBondContact O-N 2.91Å; Y483-L486 WeakPolarHBondContact O-CB 3.1Å; Y483-L486 PolarHBondContact O-N 2.97Å; Y483-L486 VanDerWaalsContact O-N 3.12Å |
| 484 | F | 81.4 | Confident | 83.8 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -58.9 | -28.5 | 170.3 | 95 | -88.7 | 0 | 0 | 0 | 113 | P181 P185 M238 I467 M470 L471 L474 T481 K482 L486 I487 M488 | P181-F484 HydrophobicContact CG-CE1 4.11Å; P181-F484 HydrophobicContact CG-CE2 4.48Å; P181-F484 HydrophobicContact CG-CZ 3.52Å; P185-F484 HydrophobicContact CG-CE1 4.3Å; P185-F484 HydrophobicContact CG-CE2 4.17Å; P185-F484 HydrophobicContact CG-CZ 3.7Å; M238-F484 HydrophobicContact SD-CE1 3.86Å; M238-F484 HydrophobicContact SD-CZ 4.44Å; I467-F484 HydrophobicContact CG2-CD2 3.48Å; I467-F484 VanDerWaalsContact CG2-CD2 3.48Å; I467-F484 HydrophobicContact CG2-CE2 3.61Å; M470-F484 HydrophobicContact CE-CB 3.6Å; L471-F484 HydrophobicContact CD2-CB 3.74Å; L471-F484 HydrophobicContact CD2-CD1 3.84Å; L471-F484 HydrophobicContact CD2-CD2 4.44Å; L471-F484 HydrophobicContact CD2-CE1 4.49Å; L471-F484 HydrophobicContact CD2-CG 3.76Å; L474-F484 HydrophobicContact CD1-CB 4.16Å; T481-F484 WeakPolarHBondContact O-CB 3.34Å; T481-F484 WeakPolarHBondContact O-CD1 3.34Å; T481-F484 PolarHBondContact O-N 2.91Å; K482-F484 PolarHBondContact O-N 3.23Å; K482-F484 VanDerWaalsContact O-N 3.17Å; F484-L486 PolarHBondContact O-N 2.93Å; F484-I487 VanDerWaalsContact O-CG1 3.3Å; F484-I487 WeakPolarHBondContact O-CG1 3.43Å; F484-I487 PolarHBondContact O-N 2.85Å; F484-M488 HydrophobicContact CD2-CE 4.31Å; F484-M488 HydrophobicContact CE2-CE 3.5Å; F484-M488 HydrophobicContact CZ-CE 3.86Å; F484-M488 PolarHBondContact O-N 2.72Å |
| 485 | I | 79 | Confident | 83.7 | Confident | 18 Ų | 18 | 27.9 Ų | 27.9 | 9% | 0.092 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -61.1 | -27.4 | 179.1 | -61.6 | 170.1 | 0 | 0 | 0 | 110.7 | P181 K482 Y483 I487 M488 P489 | P181-I485 HydrophobicContact CG-CD1 4.46Å; P181-I485 HydrophobicContact CG-CG1 4.46Å; K482-I485 WeakPolarHBondContact O-CB 3.26Å; K482-I485 WeakPolarHBondContact O-CG1 3.25Å; K482-I485 PolarHBondContact O-N 2.68Å; Y483-I485 PolarHBondContact O-N 2.91Å; I485-I487 VanDerWaalsContact C-N 3.29Å; I485-I487 PolarHBondContact O-N 2.89Å; I485-M488 HydrophobicContact CG1-CE 4.12Å; I485-M488 WeakPolarHBondContact O-CB 3.34Å; I485-M488 PolarHBondContact O-N 3.34Å; I485-P489 WeakPolarHBondContact O-CD 3.49Å |
| 486 | L | 78.3 | Confident | 83.7 | Confident | 40 Ų | 40 | 27.6 Ų | 27.6 | 21% | 0.209 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -56.8 | -40.9 | 178.5 | -178.7 | 63 | 0 | 0 | 0 | 112.6 | F174 L333 Y431 Y483 F484 | F174-L486 HydrophobicContact CE2-CD2 3.87Å; F174-L486 HydrophobicContact CZ-CD2 4.32Å; L333-L486 VanDerWaalsContact CD1-O 3.28Å; L333-L486 WeakPolarHBondContact CD1-O 3.44Å; L333-L486 HydrophobicContact CD2-CD1 4.2Å; L333-L486 HydrophobicContact CD2-CG 4.04Å; L333-L486 WeakPolarHBondContact CD2-O 3.39Å; Y431-L486 HydrophobicContact CE1-CD2 3.68Å; Y431-L486 HydrophobicContact CE1-CG 4.28Å; Y483-L486 WeakPolarHBondContact O-CB 3.1Å; Y483-L486 PolarHBondContact O-N 2.97Å; Y483-L486 VanDerWaalsContact O-N 3.12Å; F484-L486 PolarHBondContact O-N 2.93Å |
| 487 | I | 83.1 | Confident | 84 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -11.3 | -174.7 | 65.9 | 171.6 | 0 | 0 | 0 | 112.9 | Y336 Y424 A428 Y431 M470 F484 I485 P489 V490 D491 | Y336-I487 HydrophobicContact CD1-CB 4.45Å; Y336-I487 HydrophobicContact CD1-CG2 4.03Å; Y336-I487 HydrophobicContact CE1-CB 3.85Å; Y336-I487 HydrophobicContact CE1-CG2 3.77Å; Y336-I487 HydrophobicContact CE2-CG2 4.43Å; Y336-I487 HydrophobicContact CG-CG2 4.45Å; Y424-I487 WeakPolarHBondContact OH-CD1 3.48Å; A428-I487 HydrophobicContact CB-CD1 3.73Å; Y431-I487 HydrophobicContact CD1-CG2 3.97Å; Y431-I487 HydrophobicContact CE1-CG2 3.9Å; M470-I487 HydrophobicContact CE-CD1 3.52Å; M470-I487 HydrophobicContact CE-CG1 4.16Å; M470-I487 HydrophobicContact SD-CD1 3.23Å; M470-I487 WeakPolarHBondContact SD-CD1 3.03Å; M470-I487 HydrophobicContact SD-CG1 4.42Å; F484-I487 VanDerWaalsContact O-CG1 3.3Å; F484-I487 WeakPolarHBondContact O-CG1 3.43Å; F484-I487 PolarHBondContact O-N 2.85Å; I485-I487 VanDerWaalsContact C-N 3.29Å; I485-I487 PolarHBondContact O-N 2.89Å; I487-P489 VanDerWaalsContact C-N 3.3Å; I487-V490 VanDerWaalsContact O-CG2 3.22Å; I487-V490 WeakPolarHBondContact O-CG2 3.1Å; I487-V490 PolarHBondContact O-N 3.25Å; I487-D491 PolarHBondContact O-N 2.99Å |
| 488 | M | 79.8 | Confident | 84.3 | Confident | 64 Ų | 64 | 26.6 Ų | 26.6 | 32% | 0.315 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -52.7 | -38.6 | -179.7 | -167 | -160.8 | -63.8 | 0 | 0 | 113.5 | P181 I467 F484 I485 V490 D491 | P181-M488 HydrophobicContact CB-CE 3.98Å; P181-M488 HydrophobicContact CG-CE 3.89Å; I467-M488 HydrophobicContact CD1-CG 4.22Å; F484-M488 HydrophobicContact CD2-CE 4.31Å; F484-M488 HydrophobicContact CE2-CE 3.5Å; F484-M488 HydrophobicContact CZ-CE 3.86Å; F484-M488 PolarHBondContact O-N 2.72Å; I485-M488 HydrophobicContact CG1-CE 4.12Å; I485-M488 WeakPolarHBondContact O-CB 3.34Å; I485-M488 PolarHBondContact O-N 3.34Å; M488-V490 PolarHBondContact O-N 2.64Å; M488-V490 VanDerWaalsContact O-N 3.13Å; M488-D491 PolarHBondContact O-N 2.97Å |
| 489 | P | 77.8 | Confident | 84.7 | Confident | 55 Ų | 55 | 25.1 Ų | 25.1 | 36% | 0.357 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -60.3 | -23.9 | 178.6 | -26.5 | 36.1 | 0 | 0 | 0 | 114.7 | L333 I485 I487 W492 | L333-P489 HydrophobicContact CD1-CB 4.33Å; L333-P489 HydrophobicContact CD1-CG 4.44Å; I485-P489 WeakPolarHBondContact O-CD 3.49Å; I487-P489 VanDerWaalsContact C-N 3.3Å; P489-W492 PolarHBondContact O-NE1 3.23Å; P489-W492 VanDerWaalsContact O-NE1 3.14Å |
| 490 | V | 80.9 | Confident | 85.1 | Confident | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -111.1 | -16.8 | -177.4 | -58.9 | 0 | 0 | 0 | 0 | 113.1 | L333 Y336 M337 I487 M488 W492 F493 L494 | L333-V490 HydrophobicContact CB-CG1 4.09Å; L333-V490 HydrophobicContact CD1-CG1 3.67Å; L333-V490 HydrophobicContact CD1-CG2 4.13Å; Y336-V490 HydrophobicContact CD1-CG2 3.93Å; Y336-V490 HydrophobicContact CE1-CG2 3.8Å; M337-V490 HydrophobicContact CE-CB 4.44Å; M337-V490 HydrophobicContact CE-CG1 4.48Å; M337-V490 HydrophobicContact CG-CB 3.91Å; M337-V490 HydrophobicContact CG-CG1 3.98Å; M337-V490 HydrophobicContact CG-CG2 3.98Å; M337-V490 HydrophobicContact SD-CB 3.77Å; M337-V490 HydrophobicContact SD-CG1 3.39Å; M337-V490 WeakPolarHBondContact SD-CG1 3.35Å; M337-V490 HydrophobicContact SD-CG2 4.45Å; I487-V490 VanDerWaalsContact O-CG2 3.22Å; I487-V490 WeakPolarHBondContact O-CG2 3.1Å; I487-V490 PolarHBondContact O-N 3.25Å; M488-V490 PolarHBondContact O-N 2.64Å; M488-V490 VanDerWaalsContact O-N 3.13Å; V490-W492 VanDerWaalsContact C-N 3.27Å; V490-W492 PolarHBondContact O-N 3.32Å; V490-F493 WeakPolarHBondContact O-CB 3.47Å; V490-F493 PolarHBondContact O-N 2.98Å; V490-L494 HydrophobicContact CG2-CD1 4.06Å; V490-L494 PolarHBondContact O-N 3.28Å; V490-L494 VanDerWaalsContact O-N 3.13Å |
| 491 | D | 84.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56 | -41.6 | 179.5 | 173.7 | 68.1 | 0 | 0 | 0 | 111.8 | Y424 I467 I487 M488 F493 L494 D495 R498 | Y424-D491 VanDerWaalsContact CZ-OD1 3.3Å; Y424-D491 PolarHBondContact OH-OD1 2.98Å; I467-D491 HydrophobicContact CD1-CB 3.76Å; I467-D491 WeakPolarHBondContact CD1-OD2 3.32Å; I467-D491 HydrophobicContact CG1-CB 4.14Å; I467-D491 WeakPolarHBondContact CG1-OD2 3.13Å; I487-D491 PolarHBondContact O-N 2.99Å; M488-D491 PolarHBondContact O-N 2.97Å; D491-F493 PolarHBondContact O-N 2.91Å; D491-L494 PolarHBondContact O-N 3.44Å; D491-L494 VanDerWaalsContact O-N 3.1Å; D491-D495 WeakPolarHBondContact O-CB 3.19Å; D491-D495 PolarHBondContact O-N 3.14Å; D491-R498 IonicContact OD1-CZ 3.37Å; D491-R498 IonicContact OD1-NH1 2.81Å; D491-R498 PolarHBondContact OD1-NH1 3.31Å; D491-R498 VanDerWaalsContact OD1-NH1 3.14Å; D491-R498 IonicContact OD1-NH2 2.81Å; D491-R498 PolarHBondContact OD1-NH2 3.03Å; D491-R498 IonicContact OD2-NH2 3.59Å |
| 492 | W | 81.5 | Confident | 86.5 | Confident | 52 Ų | 52 | 24.6 Ų | 24.6 | 20% | 0.197 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.9 | -30.5 | -179.9 | 79.2 | -85.8 | 0 | 0 | 0 | 113.1 | F323 P489 V490 R496 | F323-W492 HydrophobicContact CB-CH2 4.13Å; F323-W492 HydrophobicContact CB-CZ2 4.05Å; F323-W492 HydrophobicContact CD1-CZ2 4.37Å; F323-W492 HydrophobicContact CD2-CD2 4.47Å; F323-W492 AromaticContact CD2-CE2 3.28Å; F323-W492 AromaticContact CD2-CH2 3.84Å; F323-W492 HydrophobicContact CD2-CH2 3.84Å; F323-W492 AromaticContact CD2-CZ2 2.92Å; F323-W492 HydrophobicContact CD2-CZ2 2.92Å; F323-W492 AromaticContact CD2-NE1 3.43Å; F323-W492 AromaticContact CE2-CE2 3.53Å; F323-W492 HydrophobicContact CE2-CH2 4.37Å; F323-W492 AromaticContact CE2-CZ2 3.2Å; F323-W492 HydrophobicContact CE2-CZ2 3.2Å; F323-W492 AromaticContact CE2-NE1 3.38Å; F323-W492 HydrophobicContact CG-CH2 4.05Å; F323-W492 AromaticContact CG-CZ2 3.55Å; F323-W492 HydrophobicContact CG-CZ2 3.55Å; F323-W492 HydrophobicContact CZ-CZ2 4.03Å; P489-W492 PolarHBondContact O-NE1 3.23Å; P489-W492 VanDerWaalsContact O-NE1 3.14Å; V490-W492 VanDerWaalsContact C-N 3.27Å; V490-W492 PolarHBondContact O-N 3.32Å; W492-R496 VanDerWaalsContact O-CG 3.29Å; W492-R496 WeakPolarHBondContact O-CG 3.49Å |
| 493 | F | 84.6 | Confident | 87.2 | Confident | 69 Ų | 69 | 22.2 Ų | 22.2 | 30% | 0.303 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -83.4 | -48.2 | 177.2 | 172.5 | -105 | 0 | 0 | 0 | 111 | M337 L341 V490 D491 D495 R496 I497 | M337-F493 HydrophobicContact CE-CD1 3.6Å; M337-F493 HydrophobicContact CE-CE1 3.92Å; L341-F493 HydrophobicContact CD1-CE1 4.04Å; L341-F493 HydrophobicContact CD2-CE1 3.96Å; V490-F493 WeakPolarHBondContact O-CB 3.47Å; V490-F493 PolarHBondContact O-N 2.98Å; D491-F493 PolarHBondContact O-N 2.91Å; F493-D495 VanDerWaalsContact C-N 3.25Å; F493-D495 PolarHBondContact O-N 3.3Å; F493-R496 WeakPolarHBondContact O-CB 3.48Å; F493-R496 WeakPolarHBondContact O-CG 3.4Å; F493-R496 PolarHBondContact O-N 3.1Å; F493-R496 VanDerWaalsContact O-N 3.17Å; F493-I497 HydrophobicContact CZ-CG1 4.49Å |
| 494 | L | 90.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.6 | -35.8 | 179.7 | -64.3 | 175.6 | 0 | 0 | 0 | 111.5 | Y336 V340 L341 Y424 V490 D491 R496 I497 R498 | Y336-L494 HydrophobicContact CD1-CD1 4.35Å; Y336-L494 HydrophobicContact CE1-CD1 3.56Å; V340-L494 HydrophobicContact CB-CD1 4.26Å; V340-L494 HydrophobicContact CB-CD2 4.2Å; V340-L494 HydrophobicContact CG1-CD1 4.16Å; V340-L494 HydrophobicContact CG1-CD2 3.92Å; V340-L494 HydrophobicContact CG1-CG 4.44Å; V340-L494 HydrophobicContact CG2-CD1 4.33Å; L341-L494 HydrophobicContact CD2-CD2 3.83Å; L341-L494 HydrophobicContact CG-CD2 3.87Å; Y424-L494 HydrophobicContact CD2-CB 4.37Å; Y424-L494 HydrophobicContact CD2-CD1 4.25Å; Y424-L494 HydrophobicContact CE2-CB 4.27Å; Y424-L494 HydrophobicContact CE2-CD1 3.95Å; V490-L494 HydrophobicContact CG2-CD1 4.06Å; V490-L494 PolarHBondContact O-N 3.28Å; V490-L494 VanDerWaalsContact O-N 3.13Å; D491-L494 PolarHBondContact O-N 3.44Å; D491-L494 VanDerWaalsContact O-N 3.1Å; L494-R496 PolarHBondContact O-N 2.96Å; L494-I497 PolarHBondContact O-N 3.48Å; L494-R498 VanDerWaalsContact O-CB 3.22Å; L494-R498 WeakPolarHBondContact O-CB 3.35Å; L494-R498 PolarHBondContact O-N 2.87Å |
| 495 | D | 89.5 | Confident | 88.7 | Confident | 7 Ų | 7 | 20.6 Ų | 20.6 | 4% | 0.037 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.1 | -35.6 | 176.2 | -169.9 | 37.5 | 0 | 0 | 0 | 112.8 | S382 Q464 D491 F493 R498 T499 | S382-D495 WeakPolarHBondContact CB-OD2 3.17Å; Q464-D495 PolarHBondContact N-OD2 2.9Å; D491-D495 WeakPolarHBondContact O-CB 3.19Å; D491-D495 PolarHBondContact O-N 3.14Å; F493-D495 VanDerWaalsContact C-N 3.25Å; F493-D495 PolarHBondContact O-N 3.3Å; D495-R498 VanDerWaalsContact CB-NH2 3.26Å; D495-R498 IonicContact OD1-CZ 3.91Å; D495-R498 VanDerWaalsContact OD1-CZ 3.31Å; D495-R498 IonicContact OD1-NE 2.97Å; D495-R498 PolarHBondContact OD1-NE 2.75Å; D495-R498 IonicContact OD1-NH2 3.33Å; D495-R498 PolarHBondContact OD1-NH2 3.34Å; D495-T499 VanDerWaalsContact O-CB 3.29Å; D495-T499 WeakPolarHBondContact O-CB 3.43Å; D495-T499 PolarHBondContact O-N 3.47Å; D495-T499 PolarHBondContact O-OG1 3.43Å |
| 496 | R | 89.6 | Confident | 89.6 | Confident | 29 Ų | 29 | 20 Ų | 20 | 11% | 0.109 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.4 | -46.7 | -179.8 | -44.2 | -168.1 | 159.8 | -76.5 | -13.6 | 111.4 | Q319 L379 G380 S382 W492 F493 L494 T500 | Q319-R496 VanDerWaalsContact CG-CZ 3.44Å; Q319-R496 VanDerWaalsContact CG-NH2 3.29Å; L379-R496 HydrophobicContact CD1-CB 3.96Å; L379-R496 PolarHBondContact O-NH1 3.39Å; L379-R496 VanDerWaalsContact O-NH1 3.13Å; G380-R496 PolarHBondContact O-NH1 2.99Å; S382-R496 WeakPolarHBondContact OG-CG 3.17Å; S382-R496 PolarHBondContact OG-NH1 3.35Å; S382-R496 VanDerWaalsContact OG-NH1 3.1Å; W492-R496 VanDerWaalsContact O-CG 3.29Å; W492-R496 WeakPolarHBondContact O-CG 3.49Å; F493-R496 WeakPolarHBondContact O-CB 3.48Å; F493-R496 WeakPolarHBondContact O-CG 3.4Å; F493-R496 PolarHBondContact O-N 3.1Å; F493-R496 VanDerWaalsContact O-N 3.17Å; L494-R496 PolarHBondContact O-N 2.96Å; R496-T500 WeakPolarHBondContact O-CB 3.31Å; R496-T500 PolarHBondContact O-N 2.98Å; R496-T500 PolarHBondContact O-OG1 3.47Å |
| 497 | I | 94.1 | Very high | 90.5 | Very high | 29 Ų | 29 | 18.1 Ų | 18.1 | 15% | 0.149 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68 | -46.7 | 179.8 | -53 | -56.4 | 0 | 0 | 0 | 108.8 | L341 L344 L379 F493 L494 T499 T500 V501 | L341-I497 HydrophobicContact CD2-CB 4.48Å; L341-I497 HydrophobicContact CD2-CG1 4.11Å; L341-I497 HydrophobicContact CD2-CG2 4.4Å; L344-I497 HydrophobicContact CB-CG2 4.14Å; L344-I497 HydrophobicContact CD1-CB 4.02Å; L344-I497 HydrophobicContact CD1-CG2 3.77Å; L379-I497 HydrophobicContact CD1-CD1 3.79Å; F493-I497 HydrophobicContact CZ-CG1 4.49Å; L494-I497 PolarHBondContact O-N 3.48Å; I497-T499 PolarHBondContact O-N 2.84Å; I497-T500 WeakPolarHBondContact O-CA 3.08Å; I497-T500 WeakPolarHBondContact O-CB 3.32Å; I497-T500 PolarHBondContact O-N 3.45Å; I497-T500 VanDerWaalsContact O-N 3.09Å; I497-V501 HydrophobicContact CG2-CG2 4.47Å; I497-V501 WeakPolarHBondContact O-CG2 3.41Å; I497-V501 PolarHBondContact O-N 2.91Å |
| 498 | R | 95.3 | Very high | 91.2 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -50.6 | -53.6 | 173.3 | 165.1 | 170.9 | 70.6 | -141.9 | 10.2 | 112.1 | L344 G420 T421 Y424 D491 L494 D495 T500 V501 N502 | L344-R498 HydrophobicContact CD1-CB 4.4Å; G420-R498 VanDerWaalsContact C-CG 3.44Å; G420-R498 WeakPolarHBondContact O-CD 3.32Å; T421-R498 WeakPolarHBondContact OG1-CD 3.44Å; Y424-R498 VanDerWaalsContact CE1-NH1 3.26Å; Y424-R498 VanDerWaalsContact CE2-NH1 3.34Å; D491-R498 IonicContact OD1-CZ 3.37Å; D491-R498 IonicContact OD1-NH1 2.81Å; D491-R498 PolarHBondContact OD1-NH1 3.31Å; D491-R498 VanDerWaalsContact OD1-NH1 3.14Å; D491-R498 IonicContact OD1-NH2 2.81Å; D491-R498 PolarHBondContact OD1-NH2 3.03Å; D491-R498 IonicContact OD2-NH2 3.59Å; L494-R498 VanDerWaalsContact O-CB 3.22Å; L494-R498 WeakPolarHBondContact O-CB 3.35Å; L494-R498 PolarHBondContact O-N 2.87Å; D495-R498 VanDerWaalsContact CB-NH2 3.26Å; D495-R498 IonicContact OD1-CZ 3.91Å; D495-R498 VanDerWaalsContact OD1-CZ 3.31Å; D495-R498 IonicContact OD1-NE 2.97Å; D495-R498 PolarHBondContact OD1-NE 2.75Å; D495-R498 IonicContact OD1-NH2 3.33Å; D495-R498 PolarHBondContact OD1-NH2 3.34Å; R498-T500 VanDerWaalsContact C-N 3.28Å; R498-T500 PolarHBondContact O-N 3.14Å; R498-V501 PolarHBondContact O-N 2.95Å; R498-V501 VanDerWaalsContact O-N 3.15Å; R498-N502 VanDerWaalsContact O-CG 3.23Å; R498-N502 PolarHBondContact O-N 3.14Å; R498-N502 PolarHBondContact O-OD1 3.39Å |
| 499 | T | 93.4 | Very high | 92 | Very high | 8 Ų | 8 | 15 Ų | 15 | 5% | 0.049 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.4 | -38.6 | 179.5 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | A378 S382 D495 I497 V501 N502 V503 | A378-T499 HydrophobicContact CB-CG2 4.3Å; S382-T499 VanDerWaalsContact C-CG2 3.46Å; S382-T499 PolarHBondContact O-OG1 3.16Å; D495-T499 VanDerWaalsContact O-CB 3.29Å; D495-T499 WeakPolarHBondContact O-CB 3.43Å; D495-T499 PolarHBondContact O-N 3.47Å; D495-T499 PolarHBondContact O-OG1 3.43Å; I497-T499 PolarHBondContact O-N 2.84Å; T499-V501 VanDerWaalsContact C-N 3.35Å; T499-V501 PolarHBondContact O-N 2.99Å; T499-N502 PolarHBondContact O-N 3.14Å; T499-V503 HydrophobicContact CG2-CG2 4.49Å; T499-V503 WeakPolarHBondContact O-CG2 3.48Å; T499-V503 PolarHBondContact O-N 3.25Å |
| 500 | T | 95.6 | Very high | 93 | Very high | 27 Ų | 27 | 12.4 Ų | 12.4 | 17% | 0.166 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 176 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | L375 L379 R496 I497 R498 F504 | L375-T500 HydrophobicContact CB-CG2 4.11Å; L375-T500 HydrophobicContact CD2-CG2 4.21Å; L379-T500 WeakPolarHBondContact CA-OG1 3.27Å; L379-T500 PolarHBondContact N-OG1 3.23Å; R496-T500 WeakPolarHBondContact O-CB 3.31Å; R496-T500 PolarHBondContact O-N 2.98Å; R496-T500 PolarHBondContact O-OG1 3.47Å; I497-T500 WeakPolarHBondContact O-CA 3.08Å; I497-T500 WeakPolarHBondContact O-CB 3.32Å; I497-T500 PolarHBondContact O-N 3.45Å; I497-T500 VanDerWaalsContact O-N 3.09Å; R498-T500 VanDerWaalsContact C-N 3.28Å; R498-T500 PolarHBondContact O-N 3.14Å; T500-F504 VanDerWaalsContact O-CB 3.24Å; T500-F504 WeakPolarHBondContact O-CB 3.43Å; T500-F504 PolarHBondContact O-N 3.38Å |
| 501 | V | 97.3 | Very high | 93.8 | Very high | 7 Ų | 7 | 12.1 Ų | 12.1 | 4% | 0.042 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.5 | -41.3 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L344 A348 L352 I497 R498 T499 F504 G505 | L344-V501 HydrophobicContact CB-CG2 4.19Å; L344-V501 HydrophobicContact CD2-CB 4.41Å; L344-V501 HydrophobicContact CD2-CG2 4.29Å; A348-V501 HydrophobicContact CB-CG2 3.97Å; L352-V501 HydrophobicContact CD1-CG1 4.4Å; I497-V501 HydrophobicContact CG2-CG2 4.47Å; I497-V501 WeakPolarHBondContact O-CG2 3.41Å; I497-V501 PolarHBondContact O-N 2.91Å; R498-V501 PolarHBondContact O-N 2.95Å; R498-V501 VanDerWaalsContact O-N 3.15Å; T499-V501 VanDerWaalsContact C-N 3.35Å; T499-V501 PolarHBondContact O-N 2.99Å; V501-F504 WeakPolarHBondContact O-CB 3.27Å; V501-F504 PolarHBondContact O-N 2.93Å; V501-G505 PolarHBondContact O-N 2.92Å |
| 502 | N | 96.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 1% | 0.011 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -60.6 | -51.2 | 176.2 | -64.7 | -15 | 0 | 0 | 0 | 111.2 | M418 D419 G420 T421 R498 T499 F504 G505 D506 | M418-N502 VanDerWaalsContact C-OD1 3.27Å; D419-N502 PolarHBondContact N-OD1 2.89Å; G420-N502 WeakPolarHBondContact CA-OD1 3.34Å; G420-N502 PolarHBondContact N-OD1 3.4Å; T421-N502 PolarHBondContact OG1-ND2 3.28Å; R498-N502 VanDerWaalsContact O-CG 3.23Å; R498-N502 PolarHBondContact O-N 3.14Å; R498-N502 PolarHBondContact O-OD1 3.39Å; T499-N502 PolarHBondContact O-N 3.14Å; N502-F504 PolarHBondContact O-N 2.95Å; N502-G505 PolarHBondContact O-N 2.98Å; N502-D506 VanDerWaalsContact O-CG 3.32Å; N502-D506 PolarHBondContact O-N 3.32Å |
| 503 | V | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 9.7 Ų | 9.7 | 2% | 0.024 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.5 | -35.5 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | L375 A378 T387 T391 T499 S507 | L375-V503 HydrophobicContact CD2-CG1 4.25Å; A378-V503 HydrophobicContact CB-CB 4.1Å; A378-V503 HydrophobicContact CB-CG1 4.38Å; A378-V503 HydrophobicContact CB-CG2 3.83Å; T387-V503 HydrophobicContact CG2-CG1 4.37Å; T391-V503 HydrophobicContact CG2-CG1 4.2Å; T499-V503 HydrophobicContact CG2-CG2 4.49Å; T499-V503 WeakPolarHBondContact O-CG2 3.48Å; T499-V503 PolarHBondContact O-N 3.25Å; V503-S507 VanDerWaalsContact O-CB 3.28Å; V503-S507 WeakPolarHBondContact O-CB 3.15Å; V503-S507 PolarHBondContact O-N 2.94Å |
| 504 | F | 97.9 | Very high | 95.8 | Very high | 13 Ų | 13 | 7.4 Ų | 7.4 | 6% | 0.057 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65 | -49.5 | 174.3 | -174.7 | -117.8 | 0 | 0 | 0 | 111.7 | A348 L352 P353 T368 I371 L375 T500 V501 N502 S507 L508 | A348-F504 HydrophobicContact CB-CD1 4.41Å; A348-F504 WeakPolarHBondContact O-CE1 3.46Å; L352-F504 HydrophobicContact CB-CD1 4.42Å; L352-F504 HydrophobicContact CB-CE1 4.12Å; L352-F504 HydrophobicContact CD1-CD1 3.72Å; L352-F504 HydrophobicContact CD1-CE1 4.25Å; P353-F504 HydrophobicContact CG-CE1 4.47Å; T368-F504 HydrophobicContact CG2-CD2 4.48Å; T368-F504 HydrophobicContact CG2-CE2 3.72Å; T368-F504 HydrophobicContact CG2-CZ 4.37Å; T368-F504 VanDerWaalsContact OG1-CE2 3.25Å; T368-F504 WeakPolarHBondContact OG1-CE2 3.42Å; T368-F504 WeakPolarHBondContact OG1-CZ 3.11Å; I371-F504 HydrophobicContact CD1-CD2 3.65Å; I371-F504 HydrophobicContact CD1-CE2 3.96Å; L375-F504 HydrophobicContact CD1-CD2 3.93Å; L375-F504 HydrophobicContact CD2-CB 3.76Å; L375-F504 HydrophobicContact CD2-CD2 4.1Å; L375-F504 HydrophobicContact CD2-CG 4.41Å; T500-F504 VanDerWaalsContact O-CB 3.24Å; T500-F504 WeakPolarHBondContact O-CB 3.43Å; T500-F504 PolarHBondContact O-N 3.38Å; V501-F504 WeakPolarHBondContact O-CB 3.27Å; V501-F504 PolarHBondContact O-N 2.93Å; N502-F504 PolarHBondContact O-N 2.95Å; F504-S507 PolarHBondContact O-N 3.44Å; F504-L508 HydrophobicContact CD1-CD1 4.5Å; F504-L508 HydrophobicContact CD1-CD2 4.26Å; F504-L508 HydrophobicContact CD2-CD1 3.63Å; F504-L508 HydrophobicContact CE1-CD1 4.19Å; F504-L508 HydrophobicContact CE1-CD2 3.56Å; F504-L508 HydrophobicContact CE2-CD1 3.26Å; F504-L508 HydrophobicContact CE2-CD2 4.08Å; F504-L508 HydrophobicContact CE2-CG 4.34Å; F504-L508 HydrophobicContact CG-CD1 4.24Å; F504-L508 HydrophobicContact CZ-CD1 3.59Å; F504-L508 HydrophobicContact CZ-CD2 3.46Å; F504-L508 VanDerWaalsContact CZ-CD2 3.46Å; F504-L508 HydrophobicContact CZ-CG 4.2Å; F504-L508 VanDerWaalsContact O-CD1 3.31Å; F504-L508 WeakPolarHBondContact O-CD1 3.26Å; F504-L508 PolarHBondContact O-N 3.43Å |
| 505 | G | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56 | -50.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y146 V501 N502 S507 L508 G509 | Y146-G505 PolarHBondContact OH-O 3.09Å; Y146-G505 VanDerWaalsContact OH-O 3.07Å; V501-G505 PolarHBondContact O-N 2.92Å; N502-G505 PolarHBondContact O-N 2.98Å; G505-S507 VanDerWaalsContact C-N 3.31Å; G505-S507 PolarHBondContact O-N 2.69Å; G505-L508 PolarHBondContact O-N 3.47Å; G505-G509 PolarHBondContact O-N 3.19Å |
| 506 | D | 97.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 13.9 Ų | 13.9 | 3% | 0.027 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57 | -44.4 | 176.9 | -69.6 | -18.1 | 0 | 0 | 0 | 112.2 | L410 G413 A414 N417 N502 G509 A510 | L410-D506 HydrophobicContact CD2-CB 4.02Å; L410-D506 VanDerWaalsContact CD2-O 3.24Å; L410-D506 WeakPolarHBondContact CD2-O 2.91Å; G413-D506 WeakPolarHBondContact CA-OD1 3.26Å; A414-D506 PolarHBondContact N-OD2 3.07Å; N417-D506 WeakPolarHBondContact CB-OD1 2.98Å; N417-D506 PolarHBondContact ND2-OD1 2.98Å; N502-D506 VanDerWaalsContact O-CG 3.32Å; N502-D506 PolarHBondContact O-N 3.32Å; D506-G509 PolarHBondContact O-N 3.25Å; D506-A510 PolarHBondContact O-N 2.98Å |
| 507 | S | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.9 | -45.2 | 179.9 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | Y367 I371 C395 V503 F504 G505 G509 A510 G511 | Y367-S507 WeakPolarHBondContact CE1-O 3.28Å; Y367-S507 WeakPolarHBondContact CE1-OG 3.48Å; Y367-S507 PolarHBondContact OH-O 3.41Å; I371-S507 VanDerWaalsContact CD1-OG 3.28Å; I371-S507 WeakPolarHBondContact CD1-OG 2.98Å; I371-S507 WeakPolarHBondContact CG2-OG 3.21Å; C395-S507 PolarHBondContact SG-OG 2.92Å; V503-S507 VanDerWaalsContact O-CB 3.28Å; V503-S507 WeakPolarHBondContact O-CB 3.15Å; V503-S507 PolarHBondContact O-N 2.94Å; F504-S507 PolarHBondContact O-N 3.44Å; G505-S507 VanDerWaalsContact C-N 3.31Å; G505-S507 PolarHBondContact O-N 2.69Å; S507-G509 VanDerWaalsContact C-N 3.33Å; S507-A510 PolarHBondContact O-N 3.02Å; S507-G511 PolarHBondContact O-N 3.49Å |
| 508 | L | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 176.1 | -90.6 | 59.7 | 0 | 0 | 0 | 110.7 | L352 M356 Y367 I371 F504 G505 A510 G511 I512 | L352-L508 HydrophobicContact CB-CD2 3.81Å; M356-L508 HydrophobicContact CB-CD2 4.27Å; M356-L508 HydrophobicContact CB-CG 4.46Å; Y367-L508 HydrophobicContact CD1-CD1 3.63Å; Y367-L508 HydrophobicContact CD1-CG 4.27Å; Y367-L508 HydrophobicContact CE1-CD1 3.8Å; Y367-L508 HydrophobicContact CE1-CG 4.4Å; I371-L508 HydrophobicContact CD1-CD1 3.98Å; F504-L508 HydrophobicContact CD1-CD1 4.5Å; F504-L508 HydrophobicContact CD1-CD2 4.26Å; F504-L508 HydrophobicContact CD2-CD1 3.63Å; F504-L508 HydrophobicContact CE1-CD1 4.19Å; F504-L508 HydrophobicContact CE1-CD2 3.56Å; F504-L508 HydrophobicContact CE2-CD1 3.26Å; F504-L508 HydrophobicContact CE2-CD2 4.08Å; F504-L508 HydrophobicContact CE2-CG 4.34Å; F504-L508 HydrophobicContact CG-CD1 4.24Å; F504-L508 HydrophobicContact CZ-CD1 3.59Å; F504-L508 HydrophobicContact CZ-CD2 3.46Å; F504-L508 VanDerWaalsContact CZ-CD2 3.46Å; F504-L508 HydrophobicContact CZ-CG 4.2Å; F504-L508 VanDerWaalsContact O-CD1 3.31Å; F504-L508 WeakPolarHBondContact O-CD1 3.26Å; F504-L508 PolarHBondContact O-N 3.43Å; G505-L508 PolarHBondContact O-N 3.47Å; L508-A510 PolarHBondContact O-N 3.31Å; L508-G511 CarbonylContact O-C 3.59Å; L508-G511 WeakPolarHBondContact O-CA 3.47Å; L508-G511 PolarHBondContact O-N 3.43Å; L508-I512 WeakPolarHBondContact O-CG1 3.43Å; L508-I512 PolarHBondContact O-N 2.9Å |
| 509 | G | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -53.1 | -48.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y146 G505 D506 S507 G511 I512 V513 | Y146-G509 PolarHBondContact OH-N 3.04Å; G505-G509 PolarHBondContact O-N 3.19Å; D506-G509 PolarHBondContact O-N 3.25Å; S507-G509 VanDerWaalsContact C-N 3.33Å; G509-G511 VanDerWaalsContact C-N 3.26Å; G509-G511 PolarHBondContact O-N 3Å; G509-I512 PolarHBondContact O-N 3.45Å; G509-I512 VanDerWaalsContact O-N 3.13Å; G509-V513 WeakPolarHBondContact O-CB 3.43Å; G509-V513 VanDerWaalsContact O-CG2 3.3Å; G509-V513 WeakPolarHBondContact O-CG2 3.43Å; G509-V513 PolarHBondContact O-N 3.04Å |
| 510 | A | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.5 | -38.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V401 V405 T406 V409 L410 D506 S507 L508 H514 | V401-A510 HydrophobicContact CG1-CB 4.41Å; V401-A510 WeakPolarHBondContact CG1-O 3.38Å; V405-A510 WeakPolarHBondContact CG1-O 3.41Å; T406-A510 HydrophobicContact CG2-CB 4.44Å; V409-A510 HydrophobicContact CB-CB 4.33Å; V409-A510 HydrophobicContact CG1-CB 4.02Å; L410-A510 HydrophobicContact CD2-CB 3.83Å; L410-A510 HydrophobicContact CG-CB 4.09Å; D506-A510 PolarHBondContact O-N 2.98Å; S507-A510 PolarHBondContact O-N 3.02Å; L508-A510 PolarHBondContact O-N 3.31Å; A510-H514 WeakPolarHBondContact O-CB 3.43Å; A510-H514 PolarHBondContact O-N 3.3Å |
| 511 | G | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.1 | -41.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y367 S507 L508 G509 K515 | Y367-G511 PolarHBondContact OH-N 3.19Å; S507-G511 PolarHBondContact O-N 3.49Å; L508-G511 CarbonylContact O-C 3.59Å; L508-G511 WeakPolarHBondContact O-CA 3.47Å; L508-G511 PolarHBondContact O-N 3.43Å; G509-G511 VanDerWaalsContact C-N 3.26Å; G509-G511 PolarHBondContact O-N 3Å; G511-K515 PolarHBondContact O-N 3.21Å; G511-K515 VanDerWaalsContact O-N 3.15Å |
| 512 | I | 97.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.3 | -50.2 | 179.1 | -68.5 | 165 | 0 | 0 | 0 | 110.6 | Y146 L355 M356 V359 L508 G509 H514 K515 L516 | Y146-I512 HydrophobicContact CD2-CD1 4.32Å; Y146-I512 HydrophobicContact CD2-CG2 4.35Å; Y146-I512 HydrophobicContact CE2-CD1 3.58Å; L355-I512 HydrophobicContact CB-CD1 4Å; M356-I512 HydrophobicContact CB-CD1 4.48Å; M356-I512 HydrophobicContact SD-CG1 3.93Å; V359-I512 HydrophobicContact CB-CG2 4.07Å; V359-I512 HydrophobicContact CG1-CG2 3.69Å; L508-I512 WeakPolarHBondContact O-CG1 3.43Å; L508-I512 PolarHBondContact O-N 2.9Å; G509-I512 PolarHBondContact O-N 3.45Å; G509-I512 VanDerWaalsContact O-N 3.13Å; I512-H514 VanDerWaalsContact C-N 3.29Å; I512-H514 PolarHBondContact O-N 3.49Å; I512-K515 WeakPolarHBondContact O-CA 3.42Å; I512-K515 WeakPolarHBondContact O-CB 3.46Å; I512-K515 PolarHBondContact O-N 3.46Å; I512-L516 HydrophobicContact CG2-CD1 4.14Å; I512-L516 WeakPolarHBondContact O-CG 3.19Å; I512-L516 PolarHBondContact O-N 3.41Å |
| 513 | V | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59 | -42.4 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | L139 V405 V409 G509 K515 L516 C517 | L139-V513 HydrophobicContact CD1-CG1 3.65Å; V405-V513 HydrophobicContact CG1-CB 4.17Å; V405-V513 HydrophobicContact CG1-CG1 3.97Å; V409-V513 HydrophobicContact CG2-CB 4.28Å; V409-V513 HydrophobicContact CG2-CG1 3.95Å; G509-V513 WeakPolarHBondContact O-CB 3.43Å; G509-V513 VanDerWaalsContact O-CG2 3.3Å; G509-V513 WeakPolarHBondContact O-CG2 3.43Å; G509-V513 PolarHBondContact O-N 3.04Å; V513-K515 VanDerWaalsContact C-N 3.29Å; V513-K515 PolarHBondContact O-N 3.33Å; V513-L516 PolarHBondContact O-N 3.45Å; V513-L516 VanDerWaalsContact O-N 3.15Å; V513-C517 WeakPolarHBondContact O-CB 3.25Å; V513-C517 PolarHBondContact O-N 3.14Å; V513-C517 PolarHBondContact O-SG 3.21Å; V513-C517 VanDerWaalsContact O-SG 3.37Å |
| 514 | H | 97.1 | Very high | 95.6 | Very high | 20 Ų | 20 | 30.1 Ų | 30.1 | 9% | 0.093 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -44.1 | 173.1 | 173.6 | -162.5 | 0 | 0 | 0 | 111.7 | V401 D402 V405 A510 I512 L516 C517 I518 | V401-H514 WeakPolarHBondContact CA-ND1 3.44Å; V401-H514 HydrophobicContact CG1-CB 3.73Å; D402-H514 PolarHBondContact N-CE1 3.49Å; D402-H514 PolarHBondContact N-ND1 3.25Å; V405-H514 HydrophobicContact CB-CB 4.29Å; V405-H514 HydrophobicContact CG1-CB 4.06Å; V405-H514 HydrophobicContact CG2-CB 4.03Å; A510-H514 WeakPolarHBondContact O-CB 3.43Å; A510-H514 PolarHBondContact O-N 3.3Å; I512-H514 VanDerWaalsContact C-N 3.29Å; I512-H514 PolarHBondContact O-N 3.49Å; H514-L516 VanDerWaalsContact C-N 3.33Å; H514-L516 PolarHBondContact O-N 3.13Å; H514-C517 PolarHBondContact O-N 3.01Å; H514-I518 PolarHBondContact O-N 2.96Å |
| 515 | K | 97 | Very high | 95.2 | Very high | 80 Ų | 80 | 32.7 Ų | 32.7 | 35% | 0.348 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62 | -40.9 | 177.5 | 178.9 | 59.9 | -176.4 | 171.4 | 0 | 112.4 | G360 G511 I512 V513 I518 | G360-K515 WeakPolarHBondContact O-CG 3.42Å; G511-K515 PolarHBondContact O-N 3.21Å; G511-K515 VanDerWaalsContact O-N 3.15Å; I512-K515 WeakPolarHBondContact O-CA 3.42Å; I512-K515 WeakPolarHBondContact O-CB 3.46Å; I512-K515 PolarHBondContact O-N 3.46Å; V513-K515 VanDerWaalsContact C-N 3.29Å; V513-K515 PolarHBondContact O-N 3.33Å; K515-I518 WeakPolarHBondContact O-CG2 3.3Å |
| 516 | L | 96.5 | Very high | 94.8 | Very high | 63 Ų | 63 | 37.7 Ų | 37.7 | 33% | 0.33 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.8 | -37.9 | 178.5 | -65.8 | 173.6 | 0 | 0 | 0 | 111.9 | Y142 V359 I512 V513 H514 | Y142-L516 HydrophobicContact CD1-CB 4.21Å; Y142-L516 HydrophobicContact CD1-CD1 3.84Å; Y142-L516 HydrophobicContact CD2-CB 4.4Å; Y142-L516 HydrophobicContact CE1-CB 4.4Å; Y142-L516 HydrophobicContact CE1-CD1 4.41Å; Y142-L516 HydrophobicContact CG-CB 4.21Å; Y142-L516 HydrophobicContact CG-CD1 4.3Å; V359-L516 HydrophobicContact CG1-CD1 4.18Å; V359-L516 HydrophobicContact CG1-CD2 3.83Å; V359-L516 HydrophobicContact CG1-CG 4.18Å; I512-L516 HydrophobicContact CG2-CD1 4.14Å; I512-L516 WeakPolarHBondContact O-CG 3.19Å; I512-L516 PolarHBondContact O-N 3.41Å; V513-L516 PolarHBondContact O-N 3.45Å; V513-L516 VanDerWaalsContact O-N 3.15Å; H514-L516 VanDerWaalsContact C-N 3.33Å; H514-L516 PolarHBondContact O-N 3.13Å |
| 517 | C | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -87.5 | -6.7 | -176.6 | -64.6 | 0 | 0 | 0 | 0 | 114.6 | L139 Y142 V513 H514 N519 Y520 L521 | L139-C517 HydrophobicContact CD1-CB 4.41Å; Y142-C517 VanDerWaalsContact CD2-SG 3.52Å; V513-C517 WeakPolarHBondContact O-CB 3.25Å; V513-C517 PolarHBondContact O-N 3.14Å; V513-C517 PolarHBondContact O-SG 3.21Å; V513-C517 VanDerWaalsContact O-SG 3.37Å; H514-C517 PolarHBondContact O-N 3.01Å; C517-N519 VanDerWaalsContact C-N 3.27Å; C517-N519 PolarHBondContact O-N 2.93Å; C517-N519 VanDerWaalsContact O-N 3.1Å; C517-Y520 WeakPolarHBondContact O-CA 3.24Å; C517-Y520 WeakPolarHBondContact O-CB 3.25Å; C517-Y520 PolarHBondContact O-N 2.92Å; C517-L521 HydrophobicContact CB-CD1 4.32Å; C517-L521 HydrophobicContact CB-CG 4.32Å; C517-L521 WeakPolarHBondContact O-CG 3.39Å; C517-L521 PolarHBondContact O-N 3.28Å |
| 518 | I | 94.7 | Very high | 93.7 | Very high | 59 Ų | 59 | 46 Ų | 46 | 30% | 0.303 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -52.7 | -41.1 | -169.7 | -163 | 169 | 0 | 0 | 0 | 113.7 | H514 K515 Y520 L521 M522 | H514-I518 PolarHBondContact O-N 2.96Å; K515-I518 WeakPolarHBondContact O-CG2 3.3Å; I518-Y520 VanDerWaalsContact C-N 3.34Å; I518-Y520 PolarHBondContact O-N 3.49Å; I518-L521 PolarHBondContact O-N 2.79Å; I518-M522 HydrophobicContact CG1-SD 4.49Å; I518-M522 VanDerWaalsContact O-CG 3.32Å; I518-M522 WeakPolarHBondContact O-CG 3.39Å; I518-M522 PolarHBondContact O-N 3.01Å |
| 519 | N | 94 | Very high | 93.1 | Very high | 105 Ų | 105 | 49 Ų | 49 | 56% | 0.561 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -69.2 | -33.7 | 179.9 | -66.9 | -24.4 | 0 | 0 | 0 | 112.2 | C517 K523 | C517-N519 VanDerWaalsContact C-N 3.27Å; C517-N519 PolarHBondContact O-N 2.93Å; C517-N519 VanDerWaalsContact O-N 3.1Å; N519-K523 VanDerWaalsContact O-CG 3.25Å; N519-K523 WeakPolarHBondContact O-CG 3.34Å; N519-K523 PolarHBondContact O-N 3.2Å; N519-K523 VanDerWaalsContact O-N 3.14Å |
| 520 | Y | 92.3 | Very high | 92.6 | Very high | 57 Ų | 57 | 55.4 Ų | 55.4 | 22% | 0.224 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.2 | -40.3 | 177.1 | -60.3 | -89.3 | 0 | 0 | 0 | 110.8 | T135 E138 Y142 C517 I518 K523 S524 | T135-Y520 PolarHBondContact OG1-O 3.16Å; E138-Y520 HydrophobicContact CB-CD1 4.4Å; E138-Y520 HydrophobicContact CB-CE1 4.43Å; E138-Y520 HydrophobicContact CG-CD1 3.93Å; E138-Y520 HydrophobicContact CG-CE1 3.71Å; Y142-Y520 HydrophobicContact CE2-CE2 4.06Å; C517-Y520 WeakPolarHBondContact O-CA 3.24Å; C517-Y520 WeakPolarHBondContact O-CB 3.25Å; C517-Y520 PolarHBondContact O-N 2.92Å; I518-Y520 VanDerWaalsContact C-N 3.34Å; I518-Y520 PolarHBondContact O-N 3.49Å; Y520-K523 PolarHBondContact O-N 3.04Å; Y520-S524 WeakPolarHBondContact O-CB 2.98Å; Y520-S524 PolarHBondContact O-N 2.59Å |
| 521 | L | 91.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 174.7 | -64.5 | 172.9 | 0 | 0 | 0 | 111.4 | L131 T135 D402 R404 V405 C517 I518 K523 S524 D525 | L131-L521 HydrophobicContact CD2-CD2 3.82Å; T135-L521 HydrophobicContact CG2-CD2 4.07Å; D402-L521 HydrophobicContact CB-CD1 4.04Å; R404-L521 HydrophobicContact CB-CD2 4.38Å; V405-L521 HydrophobicContact CG2-CD1 3.8Å; C517-L521 HydrophobicContact CB-CD1 4.32Å; C517-L521 HydrophobicContact CB-CG 4.32Å; C517-L521 WeakPolarHBondContact O-CG 3.39Å; C517-L521 PolarHBondContact O-N 3.28Å; I518-L521 PolarHBondContact O-N 2.79Å; L521-K523 PolarHBondContact O-N 3.16Å; L521-S524 WeakPolarHBondContact O-CB 3.31Å; L521-S524 PolarHBondContact O-N 3.43Å; L521-D525 PolarHBondContact O-N 3.04Å |
| 522 | M | 93.3 | Very high | 91 | Very high | 104 Ų | 104 | 64.8 Ų | 64.8 | 51% | 0.512 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 176.1 | -71.7 | 178.2 | 67.8 | 0 | 0 | 112.3 | I518 S524 D525 E526 | I518-M522 HydrophobicContact CG1-SD 4.49Å; I518-M522 VanDerWaalsContact O-CG 3.32Å; I518-M522 WeakPolarHBondContact O-CG 3.39Å; I518-M522 PolarHBondContact O-N 3.01Å; M522-S524 VanDerWaalsContact C-N 3.33Å; M522-S524 PolarHBondContact O-N 3.36Å; M522-D525 PolarHBondContact O-N 2.88Å; M522-E526 WeakPolarHBondContact O-CG 3.46Å; M522-E526 PolarHBondContact O-N 3.08Å |
| 523 | K | 91.4 | Very high | 90.3 | Very high | 116 Ų | 116 | 68.1 Ų | 68.1 | 50% | 0.504 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 175.5 | -75.3 | 174.1 | -178.4 | -178.2 | 0 | 112.3 | N519 Y520 L521 D525 E526 E527 | N519-K523 VanDerWaalsContact O-CG 3.25Å; N519-K523 WeakPolarHBondContact O-CG 3.34Å; N519-K523 PolarHBondContact O-N 3.2Å; N519-K523 VanDerWaalsContact O-N 3.14Å; Y520-K523 PolarHBondContact O-N 3.04Å; L521-K523 PolarHBondContact O-N 3.16Å; K523-D525 VanDerWaalsContact C-N 3.28Å; K523-D525 PolarHBondContact O-N 3.26Å; K523-E526 PolarHBondContact O-N 2.94Å; K523-E527 WeakPolarHBondContact O-CB 3.43Å; K523-E527 WeakPolarHBondContact O-CG 3.36Å; K523-E527 PolarHBondContact O-N 3.18Å |
| 524 | S | 87.9 | Confident | 89.4 | Confident | 4 Ų | 4 | 73.7 Ų | 73.7 | 3% | 0.028 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 175.8 | -169.5 | 0 | 0 | 0 | 0 | 111.5 | N132 Y520 L521 M522 R528 | N132-S524 PolarHBondContact N-OG 3.02Å; Y520-S524 WeakPolarHBondContact O-CB 2.98Å; Y520-S524 PolarHBondContact O-N 2.59Å; L521-S524 WeakPolarHBondContact O-CB 3.31Å; L521-S524 PolarHBondContact O-N 3.43Å; M522-S524 VanDerWaalsContact C-N 3.33Å; M522-S524 PolarHBondContact O-N 3.36Å; S524-R528 WeakPolarHBondContact O-CB 3.38Å; S524-R528 PolarHBondContact O-N 3.04Å; S524-R528 VanDerWaalsContact O-N 3.08Å |
| 525 | D | 89.4 | Confident | 88.1 | Confident | 67 Ų | 67 | 76.7 Ų | 76.7 | 36% | 0.358 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 176.3 | -67.6 | -30.1 | 0 | 0 | 0 | 112 | R404 L521 M522 K523 R528 A529 | R404-D525 IonicContact CZ-OD1 3.6Å; R404-D525 IonicContact CZ-OD2 2.69Å; R404-D525 IonicContact NH1-OD1 3.14Å; R404-D525 PolarHBondContact NH1-OD1 3.25Å; R404-D525 IonicContact NH1-OD2 3.36Å; R404-D525 PolarHBondContact NH1-OD2 3.26Å; R404-D525 IonicContact NH2-OD1 2.96Å; R404-D525 IonicContact NH2-OD2 3.41Å; R404-D525 PolarHBondContact NH2-OD2 3.33Å; L521-D525 PolarHBondContact O-N 3.04Å; M522-D525 PolarHBondContact O-N 2.88Å; K523-D525 VanDerWaalsContact C-N 3.28Å; K523-D525 PolarHBondContact O-N 3.26Å; D525-R528 PolarHBondContact O-N 2.94Å; D525-A529 WeakPolarHBondContact O-CB 3.34Å; D525-A529 PolarHBondContact O-N 3.49Å |
| 526 | E | 90.4 | Very high | 86.6 | Confident | 104 Ų | 104 | 78.5 Ų | 78.5 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 175.8 | -71.5 | 172.7 | -173 | 0 | 0 | 112.8 | M522 K523 R530 | M522-E526 WeakPolarHBondContact O-CG 3.46Å; M522-E526 PolarHBondContact O-N 3.08Å; K523-E526 PolarHBondContact O-N 2.94Å; E526-R530 WeakPolarHBondContact O-CB 3.4Å; E526-R530 WeakPolarHBondContact O-CG 3.5Å; E526-R530 PolarHBondContact O-N 2.96Å; E526-R530 PolarHBondContact O-NE 2.93Å |
| 527 | E | 87 | Confident | 84.6 | Confident | 72 Ų | 72 | 77.1 Ų | 77.1 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.7 | -75.9 | 174.3 | -167.2 | 0 | 0 | 111.4 | N132 K523 R530 R531 | N132-E527 PolarHBondContact ND2-OE2 3.33Å; K523-E527 WeakPolarHBondContact O-CB 3.43Å; K523-E527 WeakPolarHBondContact O-CG 3.36Å; K523-E527 PolarHBondContact O-N 3.18Å; E527-R530 PolarHBondContact O-N 3.12Å; E527-R531 WeakPolarHBondContact O-CG 3.42Å; E527-R531 PolarHBondContact O-N 2.77Å |
| 528 | R | 83 | Confident | 82.5 | Confident | 107 Ų | 107 | 81.4 Ų | 81.4 | 40% | 0.404 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 177.3 | -173.1 | 178.9 | -177.9 | -177.3 | 4 | 112.1 | S524 D525 R530 R531 A532 | S524-R528 WeakPolarHBondContact O-CB 3.38Å; S524-R528 PolarHBondContact O-N 3.04Å; S524-R528 VanDerWaalsContact O-N 3.08Å; D525-R528 PolarHBondContact O-N 2.94Å; R528-R530 VanDerWaalsContact C-N 3.29Å; R528-R530 PolarHBondContact O-N 2.96Å; R528-R531 PolarHBondContact O-N 3.17Å; R528-A532 PolarHBondContact O-N 3.08Å |
| 529 | A | 86.4 | Confident | 80.1 | Confident | 63 Ų | 63 | 83.3 Ų | 83.3 | 52% | 0.521 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D525 A532 S533 | D525-A529 WeakPolarHBondContact O-CB 3.34Å; D525-A529 PolarHBondContact O-N 3.49Å; A529-A532 PolarHBondContact O-N 3.37Å; A529-S533 PolarHBondContact O-N 3.24Å |
| 530 | R | 87.4 | Confident | 77.5 | Confident | 136 Ų | 136 | 88.3 Ų | 88.3 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 173.4 | -79.8 | -179.6 | -76.1 | -162.8 | -2.6 | 112.2 | E526 E527 R528 A532 S533 I534 | E526-R530 WeakPolarHBondContact O-CB 3.4Å; E526-R530 WeakPolarHBondContact O-CG 3.5Å; E526-R530 PolarHBondContact O-N 2.96Å; E526-R530 PolarHBondContact O-NE 2.93Å; E527-R530 PolarHBondContact O-N 3.12Å; R528-R530 VanDerWaalsContact C-N 3.29Å; R528-R530 PolarHBondContact O-N 2.96Å; R530-A532 PolarHBondContact O-N 3.46Å; R530-S533 PolarHBondContact O-N 2.94Å; R530-S533 PolarHBondContact O-OG 3.36Å; R530-I534 WeakPolarHBondContact O-CG1 3.44Å; R530-I534 PolarHBondContact O-N 3.12Å; R530-I534 VanDerWaalsContact O-N 3.07Å |
| 531 | R | 81.2 | Confident | 74.7 | Confident | 145 Ų | 145 | 93.6 Ų | 93.6 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 176.9 | -72.7 | -178 | -174.3 | -150.2 | 0.5 | 111.9 | E280 E527 R528 S533 I534 V535 | E280-R531 IonicContact OE1-NH1 2.96Å; E280-R531 PolarHBondContact OE1-NH1 3.28Å; E527-R531 WeakPolarHBondContact O-CG 3.42Å; E527-R531 PolarHBondContact O-N 2.77Å; R528-R531 PolarHBondContact O-N 3.17Å; R531-S533 VanDerWaalsContact C-N 3.3Å; R531-S533 PolarHBondContact O-N 3.13Å; R531-I534 PolarHBondContact O-N 3.4Å; R531-I534 VanDerWaalsContact O-N 3.13Å; R531-V535 WeakPolarHBondContact O-CG2 3.01Å; R531-V535 PolarHBondContact O-N 2.7Å; R531-V535 VanDerWaalsContact O-N 3.08Å |
| 532 | A | 79.4 | Confident | 71.8 | Confident | 52 Ų | 52 | 103.7 Ų | 103.7 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.2 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R528 A529 R530 I534 V535 D536 | R528-A532 PolarHBondContact O-N 3.08Å; A529-A532 PolarHBondContact O-N 3.37Å; R530-A532 PolarHBondContact O-N 3.46Å; A532-I534 VanDerWaalsContact C-N 3.31Å; A532-I534 PolarHBondContact O-N 3.49Å; A532-V535 PolarHBondContact O-N 3.2Å; A532-D536 PolarHBondContact O-N 3.23Å; A532-D536 VanDerWaalsContact O-N 3.13Å |
| 533 | S | 83.5 | Confident | 69.1 | Low | 72 Ų | 72 | 106.6 Ų | 106.6 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67 | -28 | 178 | 72.9 | 0 | 0 | 0 | 0 | 114.4 | A529 R530 R531 G537 | A529-S533 PolarHBondContact O-N 3.24Å; R530-S533 PolarHBondContact O-N 2.94Å; R530-S533 PolarHBondContact O-OG 3.36Å; R531-S533 VanDerWaalsContact C-N 3.3Å; R531-S533 PolarHBondContact O-N 3.13Å; S533-G537 WeakPolarHBondContact O-CA 3.39Å; S533-G537 PolarHBondContact O-N 3.13Å; S533-G537 VanDerWaalsContact O-N 3.12Å |
| 534 | I | 78.8 | Confident | 66.4 | Low | 118 Ų | 118 | 106.4 Ų | 106.4 | 61% | 0.605 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -76.7 | -41.1 | 177.6 | -67.5 | 165 | 0 | 0 | 0 | 110.5 | R530 R531 A532 G537 P538 | R530-I534 WeakPolarHBondContact O-CG1 3.44Å; R530-I534 PolarHBondContact O-N 3.12Å; R530-I534 VanDerWaalsContact O-N 3.07Å; R531-I534 PolarHBondContact O-N 3.4Å; R531-I534 VanDerWaalsContact O-N 3.13Å; A532-I534 VanDerWaalsContact C-N 3.31Å; A532-I534 PolarHBondContact O-N 3.49Å; I534-G537 PolarHBondContact O-N 3.07Å; I534-P538 WeakPolarHBondContact O-CD 3.35Å |
| 535 | V | 69.3 | Low | 63.7 | Low | 83 Ų | 83 | 110.3 Ų | 110.3 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.1 | -40.6 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 111 | R531 A532 G537 | R531-V535 WeakPolarHBondContact O-CG2 3.01Å; R531-V535 PolarHBondContact O-N 2.7Å; R531-V535 VanDerWaalsContact O-N 3.08Å; A532-V535 PolarHBondContact O-N 3.2Å; V535-G537 VanDerWaalsContact C-N 3.31Å; V535-G537 PolarHBondContact O-N 3.47Å |
| 536 | D | 64.6 | Low | 61 | Low | 117 Ų | 117 | 112.1 Ų | 112.1 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -77.5 | -15.5 | 176.4 | -70.6 | -27.1 | 0 | 0 | 0 | 113.6 | A532 | A532-D536 PolarHBondContact O-N 3.23Å; A532-D536 VanDerWaalsContact O-N 3.13Å |
| 537 | G | 56.2 | Low | 58.3 | Low | 34 Ų | 34 | 113.1 Ų | 113.1 | 35% | 0.351 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71 | -46.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | S533 I534 V535 | S533-G537 WeakPolarHBondContact O-CA 3.39Å; S533-G537 PolarHBondContact O-N 3.13Å; S533-G537 VanDerWaalsContact O-N 3.12Å; I534-G537 PolarHBondContact O-N 3.07Å; V535-G537 VanDerWaalsContact C-N 3.31Å; V535-G537 PolarHBondContact O-N 3.47Å |
| 538 | P | 49.8 | Very low | 55.7 | Low | 91 Ų | 91 | 115.5 Ų | 115.5 | 59% | 0.591 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -93.8 | -22.1 | -177.6 | 30.3 | -27.7 | 0 | 0 | 0 | 113.6 | I534 | I534-P538 WeakPolarHBondContact O-CD 3.35Å |
| 539 | T | 44.4 | Very low | 53.2 | Low | 98 Ų | 98 | 116.9 Ų | 116.9 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.3 | -33.9 | -177.3 | -28 | 0 | 0 | 0 | 0 | 111.8 | ||
| 540 | R | 40.2 | Very low | 50.5 | Low | 210 Ų | 210 | 119 Ų | 119 | 79% | 0.792 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -79 | -28.1 | 179.8 | -158.5 | 171.4 | -176.4 | 177.5 | 1.2 | 114 | ||
| 541 | K | 33.6 | Very low | 47.7 | Very low | 169 Ų | 169 | 119.3 Ų | 119.3 | 74% | 0.735 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.1 | -22.7 | 176.1 | -80 | -173.7 | 177.6 | 179.4 | 0 | 113.6 | T544 | K541-T544 PolarHBondContact O-OG1 3.47Å |
| 542 | R | 31.4 | Very low | 45.3 | Very low | 215 Ų | 215 | 122.5 Ų | 122.5 | 81% | 0.811 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -83.9 | -19.6 | 178 | -135.1 | 175.3 | -171.8 | -176.2 | 1.3 | 113.6 | ||
| 543 | M | 34.7 | Very low | 42.7 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -9.9 | 175.1 | -89.6 | -179.1 | 157.8 | 0 | 0 | 114.5 | ||
| 544 | T | 35.4 | Very low | 40 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 6.2 | 178.3 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | K541 | K541-T544 PolarHBondContact O-OG1 3.47Š|
| 545 | S | 32.6 | Very low | 37.8 | Very low | 86 Ų | 86 | 127.3 Ų | 127.3 | 60% | 0.601 | 70% | 0.704 | S | S | * | * | trans | -102.9 | 57.8 | 167.9 | 68.3 | 0 | 0 | 0 | 0 | 110.5 | T547 | S545-T547 PolarHBondContact O-N 3.23Š| ||
| 546 | S | 32.8 | Very low | 35.7 | Very low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | -75.8 | 95.8 | 160.4 | 54.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 547 | T | 31.9 | Very low | 34 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | -61 | 128.9 | 158 | -3.8 | 0 | 0 | 0 | 0 | 107.5 | S545 T549 | S545-T547 PolarHBondContact O-N 3.23Å; T547-T549 PolarHBondContact O-N 3.4Å | ||
| 548 | P | 32.8 | Very low | 33.3 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | trans | -74.8 | 111.3 | -176.7 | 29.6 | -31.4 | 0 | 0 | 0 | 108.7 | ||||
| 549 | T | 30.7 | Very low | 32.2 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 75% | 0.751 | S | S | * | * | trans | -79.5 | 131.4 | 162.9 | 40.9 | 0 | 0 | 0 | 0 | 108.9 | T547 | T547-T549 PolarHBondContact O-N 3.4Š| ||
| 550 | P | 30.2 | Very low | 31.5 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | trans | -84.5 | 147.1 | -165.3 | 28.6 | -22.2 | 0 | 0 | 0 | 112.5 | F552 | P550-F552 PolarHBondContact O-N 3.19Š| ||
| 551 | D | 27.6 | Very low | 30.8 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | 11.1 | 98.6 | 151.8 | -60.3 | -27.6 | 0 | 0 | 0 | 116.5 | ||||
| 552 | F | 31.1 | Very low | 30.8 | Very low | 212 Ų | 212 | 138.5 Ų | 138.5 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -102.3 | 92.4 | 150.8 | -119 | -91.7 | 0 | 0 | 0 | 108.8 | P550 | P550-F552 PolarHBondContact O-N 3.19Š| ||
| 553 | I | 25.8 | Very low | 30.8 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 67% | 0.672 | 78% | 0.782 | S | S | * | * | trans | -80.5 | 144.3 | 165.8 | -67.5 | 170.2 | 0 | 0 | 0 | 108.5 | ||||
| 554 | S | 26.2 | Very low | 30.6 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 89.7 | 108.2 | 159.8 | 77.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 555 | S | 32.2 | Very low | 30.3 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | 161.5 | 100.7 | 112 | 47 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 556 | Q | 25.3 | Very low | 30.2 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | 45 | 104 | 89 | -83.1 | -165.6 | -13.8 | 0 | 0 | 114.7 | |||||
| 557 | H | 29.6 | Very low | 30 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 75% | 0.745 | 80% | 0.8 | S | S | * | * | 141.9 | 152.1 | 123.4 | -84.8 | -57.8 | 0 | 0 | 0 | 114.8 | |||||
| 558 | P | 41.4 | Very low | 29.9 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 66% | 0.662 | 80% | 0.802 | S | S | * | * | trans | -113.1 | 166.2 | -131.1 | 41 | -31.8 | 0 | 0 | 0 | 114.5 | ||||
| 559 | V | 25.6 | Very low | 29.7 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | 15.5 | 112.5 | 142.1 | -171.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 560 | S | 29.9 | Very low | 29.6 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | -169.4 | 137.5 | 126.5 | 44.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 561 | S | 26.2 | Very low | 29.5 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -25.1 | 131.5 | 161.3 | 50.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 562 | L | 33.7 | Very low | 29.7 | Very low | 248 Ų | 248 | 144.6 Ų | 144.6 | 100% | 1.298 | 81% | 0.812 | S | S | * | * | -157.1 | 0 | 116.5 | -108.1 | 157.5 | 0 | 0 | 0 | 109.4 |
Retrieved 562 of 562 residues in 1364.3 ms
(Link to these results)