| 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 | 43 | Very low | 44.3 | Very low | 236 Ų | 236 | 159.1 Ų | 159.1 | 100% | 1.163 | 86% | 0.859 | S | S | * | * | 0 | 121.1 | 0 | -78.7 | 175.3 | 167.2 | 0 | 0 | 108 | |||||
| 2 | N | 43 | Very low | 43.8 | Very low | 151 Ų | 151 | 154.7 Ų | 154.7 | 81% | 0.807 | 85% | 0.849 | S | S | * | * | trans | 41.6 | 108.7 | 157.4 | -61.5 | -1 | 0 | 0 | 0 | 117.6 | ||||
| 3 | T | 50.6 | Low | 43.8 | Very low | 132 Ų | 132 | 153.2 Ų | 153.2 | 81% | 0.81 | 84% | 0.84 | S | S | * | * | 163.4 | 156.1 | 77.8 | 42.3 | 0 | 0 | 0 | 0 | 104.3 | |||||
| 4 | S | 45.6 | Very low | 43.6 | Very low | 113 Ų | 113 | 153.9 Ų | 153.9 | 79% | 0.79 | 83% | 0.834 | S | S | * | * | cis | -169.7 | 141.8 | 11.5 | 21.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 5 | S | 40.2 | Very low | 43.4 | Very low | 117 Ų | 117 | 154.2 Ų | 154.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -82.3 | 148 | 174.9 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 6 | T | 49.4 | Very low | 43.2 | Very low | 155 Ų | 155 | 155.9 Ų | 155.9 | 95% | 0.951 | 83% | 0.834 | S | S | * | * | trans | -143.2 | 134.5 | 147.7 | -4.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 7 | R | 39.6 | Very low | 43 | Very low | 223 Ų | 223 | 154.6 Ų | 154.6 | 84% | 0.842 | 83% | 0.834 | S | S | * | * | trans | -120 | 155.8 | -160.6 | -132.6 | -175.8 | -160.2 | -169.1 | 4.8 | 107.8 | ||||
| 8 | L | 45 | Very low | 43.2 | Very low | 152 Ų | 152 | 151.9 Ų | 151.9 | 80% | 0.796 | 82% | 0.823 | S | S | * | * | trans | 81.4 | 114.2 | 155.6 | -57.1 | 162.1 | 0 | 0 | 0 | 118.2 | ||||
| 9 | N | 43.5 | Very low | 43.1 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | -155 | 122.6 | 118.9 | -135.2 | -9.5 | 0 | 0 | 0 | 111.7 | |||||
| 10 | S | 40.5 | Very low | 43.5 | Very low | 97 Ų | 97 | 152.9 Ų | 152.9 | 68% | 0.678 | 82% | 0.821 | S | S | * | * | trans | -92.3 | 131.4 | 173.5 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 11 | K | 46.7 | Very low | 43.7 | Very low | 207 Ų | 207 | 154.1 Ų | 154.1 | 90% | 0.9 | 82% | 0.821 | S | S | * | * | trans | -145.4 | 112.4 | 160.6 | -107.7 | 179 | 178.7 | -178.5 | 0 | 110.1 | ||||
| 12 | S | 38.9 | Very low | 43.9 | Very low | 106 Ų | 106 | 149 Ų | 149 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -69.5 | 145.7 | 164.6 | -25.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 13 | N | 43.1 | Very low | 44.2 | Very low | 136 Ų | 136 | 148 Ų | 148 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 169.7 | 119.3 | 140.5 | -90.5 | 7.5 | 0 | 0 | 0 | 110.2 | ||||
| 14 | E | 41.1 | Very low | 44 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | 97.4 | 95.8 | 120.4 | -74.6 | 176.2 | 148 | 0 | 0 | 111.8 | |||||
| 15 | L | 40.2 | Very low | 44 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | 62.5 | 89.9 | 96.8 | -82.2 | 164.9 | 0 | 0 | 0 | 112.9 | |||||
| 16 | E | 40.7 | Very low | 44.4 | Very low | 181 Ų | 181 | 149.9 Ų | 149.9 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -142.2 | 93 | 153.8 | -125.1 | 179.8 | -179.6 | 0 | 0 | 109.3 | V18 | E16-V18 HydrophobicContact CG-CG2 4.23Š| ||
| 17 | T | 39.4 | Very low | 44.5 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -80.7 | 108.9 | 164 | 39.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 18 | V | 47 | Very low | 44.9 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | trans | -123.3 | 102 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | E16 | E16-V18 HydrophobicContact CG-CG2 4.23Š| ||
| 19 | N | 42.4 | Very low | 45.1 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | trans | 49.3 | 87.4 | 145.2 | -66 | -14.5 | 0 | 0 | 0 | 119.7 | ||||
| 20 | E | 49.3 | Very low | 45.5 | Very low | 192 Ų | 192 | 139 Ų | 139 | 90% | 0.897 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -91.4 | 3 | 159.6 | -84.4 | -172.8 | 147.8 | 0 | 0 | 114.1 | ||
| 21 | E | 48.3 | Very low | 46.1 | Very low | 179 Ų | 179 | 138 Ų | 138 | 84% | 0.836 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -0.6 | -170.2 | -124.9 | -179.9 | 174.1 | 0 | 0 | 116.2 | ||
| 22 | L | 48.2 | Very low | 46.5 | Very low | 129 Ų | 129 | 131 Ų | 131 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -12.4 | -175.8 | -89.2 | 159.7 | 0 | 0 | 0 | 115.5 | ||
| 23 | I | 48.6 | Very low | 47.5 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 66% | 0.662 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -85.2 | -18.6 | -173.8 | -62.4 | 176 | 0 | 0 | 0 | 112.8 | K25 | I23-K25 PolarHBondContact O-N 3.05Š|
| 24 | V | 47.4 | Very low | 48.4 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 60% | 0.6 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.7 | -21.9 | -176.3 | -176.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 25 | K | 45.5 | Very low | 49.7 | Very low | 175 Ų | 175 | 124.8 Ų | 124.8 | 76% | 0.761 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.1 | -29.2 | 179.6 | -91.7 | 176.6 | 176.2 | 172 | 0 | 114.2 | I23 | I23-K25 PolarHBondContact O-N 3.05Å |
| 26 | D | 47.5 | Very low | 51.1 | Low | 128 Ų | 128 | 122.1 Ų | 122.1 | 68% | 0.684 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -79.1 | -25.2 | 179.9 | -97.6 | -16.5 | 0 | 0 | 0 | 113.6 | N28 A29 R30 | D26-N28 VanDerWaalsContact C-N 3.33Å; D26-N28 PolarHBondContact O-N 3.12Å; D26-A29 PolarHBondContact O-N 3.48Å; D26-R30 PolarHBondContact O-N 3.31Å |
| 27 | I | 51.6 | Low | 52.3 | Low | 103 Ų | 103 | 119 Ų | 119 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.1 | -35.5 | 178.7 | -61.7 | 173.1 | 0 | 0 | 0 | 110.7 | R30 T31 | I27-R30 PolarHBondContact O-N 3.36Å; I27-T31 PolarHBondContact O-N 3.49Å; I27-T31 PolarHBondContact O-OG1 3.4Å |
| 28 | N | 48.8 | Very low | 53.7 | Low | 113 Ų | 113 | 115.3 Ų | 115.3 | 60% | 0.604 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73.8 | -24.7 | 177.2 | -74.8 | -15.4 | 0 | 0 | 0 | 113.5 | D26 T31 | D26-N28 VanDerWaalsContact C-N 3.33Å; D26-N28 PolarHBondContact O-N 3.12Å; N28-T31 PolarHBondContact O-OG1 3.49Å; N28-T31 VanDerWaalsContact O-OG1 3.12Å |
| 29 | A | 49.7 | Very low | 55 | Low | 52 Ų | 52 | 117 Ų | 117 | 43% | 0.43 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -73 | -38 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D26 S32 | D26-A29 PolarHBondContact O-N 3.48Å; A29-S32 PolarHBondContact O-N 3.32Å; A29-S32 PolarHBondContact O-OG 3.38Å; A29-S32 VanDerWaalsContact O-OG 3.05Å |
| 30 | R | 50.7 | Low | 56.6 | Low | 201 Ų | 201 | 116 Ų | 116 | 76% | 0.758 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.3 | -34.5 | -178.2 | -118.8 | 177.1 | -176.3 | -169.5 | 3 | 113.8 | D26 I27 T33 | D26-R30 PolarHBondContact O-N 3.31Å; I27-R30 PolarHBondContact O-N 3.36Å; R30-T33 PolarHBondContact O-N 3.45Å; R30-T33 PolarHBondContact O-OG1 2.83Å |
| 31 | T | 52.5 | Low | 57.8 | Low | 75 Ų | 75 | 113.4 Ų | 113.4 | 46% | 0.46 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.1 | -36 | 175.7 | 39.6 | 0 | 0 | 0 | 0 | 112.2 | I27 N28 T33 D34 D35 | I27-T31 PolarHBondContact O-N 3.49Å; I27-T31 PolarHBondContact O-OG1 3.4Å; N28-T31 PolarHBondContact O-OG1 3.49Å; N28-T31 VanDerWaalsContact O-OG1 3.12Å; T31-T33 VanDerWaalsContact C-N 3.31Å; T31-T33 PolarHBondContact O-N 3.44Å; T31-D34 PolarHBondContact O-N 3.4Å; T31-D35 PolarHBondContact O-N 3.36Å |
| 32 | S | 55.1 | Low | 59.1 | Low | 62 Ų | 62 | 107.6 Ų | 107.6 | 43% | 0.434 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -33 | 177.9 | 84.7 | 0 | 0 | 0 | 0 | 113.2 | A29 I36 | A29-S32 PolarHBondContact O-N 3.32Å; A29-S32 PolarHBondContact O-OG 3.38Å; A29-S32 VanDerWaalsContact O-OG 3.05Å; S32-I36 WeakPolarHBondContact O-CG1 3.49Å; S32-I36 PolarHBondContact O-N 2.83Å |
| 33 | T | 61.5 | Low | 60.5 | Low | 68 Ų | 68 | 104.3 Ų | 104.3 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.5 | -34.4 | -180 | 49.4 | 0 | 0 | 0 | 0 | 113.2 | R30 T31 D35 I36 F37 | R30-T33 PolarHBondContact O-N 3.45Å; R30-T33 PolarHBondContact O-OG1 2.83Å; T31-T33 VanDerWaalsContact C-N 3.31Å; T31-T33 PolarHBondContact O-N 3.44Å; T33-D35 VanDerWaalsContact C-N 3.35Å; T33-I36 PolarHBondContact O-N 3.49Å; T33-F37 WeakPolarHBondContact O-CD2 3.36Å; T33-F37 PolarHBondContact O-N 3.19Å |
| 34 | D | 62 | Low | 61.9 | Low | 93 Ų | 93 | 106.4 Ų | 106.4 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -70.1 | -33.8 | 178.3 | -88.1 | -15.2 | 0 | 0 | 0 | 111.9 | T31 N38 | T31-D34 PolarHBondContact O-N 3.4Å; D34-N38 WeakPolarHBondContact O-CB 3.37Å; D34-N38 VanDerWaalsContact O-CG 3.3Å; D34-N38 PolarHBondContact O-N 3.38Å; D34-N38 PolarHBondContact O-ND2 3.41Å; D34-N38 VanDerWaalsContact O-ND2 3.1Å |
| 35 | D | 67.8 | Low | 63.2 | Low | 113 Ų | 113 | 103.4 Ų | 103.4 | 60% | 0.604 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.6 | -40.6 | 175.9 | -76.3 | -21.8 | 0 | 0 | 0 | 112.1 | T31 T33 F37 N38 Q39 | T31-D35 PolarHBondContact O-N 3.36Å; T33-D35 VanDerWaalsContact C-N 3.35Å; D35-F37 PolarHBondContact O-N 3.33Å; D35-N38 PolarHBondContact O-N 2.92Å; D35-Q39 WeakPolarHBondContact O-CB 3.45Å; D35-Q39 PolarHBondContact O-N 3.14Å |
| 36 | I | 69.8 | Low | 64.7 | Low | 102 Ų | 102 | 99.2 Ų | 99.2 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.9 | -66 | 166.7 | 0 | 0 | 0 | 110.8 | S32 T33 N38 Q39 E40 | S32-I36 WeakPolarHBondContact O-CG1 3.49Å; S32-I36 PolarHBondContact O-N 2.83Å; T33-I36 PolarHBondContact O-N 3.49Å; I36-N38 VanDerWaalsContact C-N 3.35Å; I36-N38 PolarHBondContact O-N 3.01Å; I36-Q39 PolarHBondContact O-N 2.95Å; I36-E40 PolarHBondContact O-N 3.32Å |
| 37 | F | 66.1 | Low | 66.2 | Low | 114 Ų | 114 | 98.5 Ų | 98.5 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -35.3 | 178.3 | -95.9 | -76.8 | 0 | 0 | 0 | 113.1 | T33 D35 R41 | T33-F37 WeakPolarHBondContact O-CD2 3.36Å; T33-F37 PolarHBondContact O-N 3.19Å; D35-F37 PolarHBondContact O-N 3.33Å; F37-R41 WeakPolarHBondContact O-CB 3.41Å; F37-R41 WeakPolarHBondContact O-CG 3.4Å; F37-R41 PolarHBondContact O-N 3.06Å; F37-R41 VanDerWaalsContact O-N 3.1Å |
| 38 | N | 68.6 | Low | 67.3 | Low | 57 Ų | 57 | 98.2 Ų | 98.2 | 31% | 0.305 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.6 | -37.1 | 175.4 | -74.7 | -32.9 | 0 | 0 | 0 | 111.4 | D34 D35 I36 R41 N42 | D34-N38 WeakPolarHBondContact O-CB 3.37Å; D34-N38 VanDerWaalsContact O-CG 3.3Å; D34-N38 PolarHBondContact O-N 3.38Å; D34-N38 PolarHBondContact O-ND2 3.41Å; D34-N38 VanDerWaalsContact O-ND2 3.1Å; D35-N38 PolarHBondContact O-N 2.92Å; I36-N38 VanDerWaalsContact C-N 3.35Å; I36-N38 PolarHBondContact O-N 3.01Å; N38-R41 PolarHBondContact O-N 3.34Å; N38-N42 WeakPolarHBondContact O-CB 3.47Å; N38-N42 VanDerWaalsContact O-CG 3.31Å; N38-N42 PolarHBondContact O-N 3.27Å; N38-N42 PolarHBondContact O-ND2 2.92Å; N38-N42 VanDerWaalsContact O-ND2 3.14Å |
| 39 | Q | 74.7 | Confident | 68.6 | Low | 144 Ų | 144 | 93.5 Ų | 93.5 | 67% | 0.673 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.9 | -43.3 | 176.3 | -166 | 172.2 | 24.2 | 0 | 0 | 111.8 | D35 I36 N42 S43 | D35-Q39 WeakPolarHBondContact O-CB 3.45Å; D35-Q39 PolarHBondContact O-N 3.14Å; I36-Q39 PolarHBondContact O-N 2.95Å; Q39-N42 PolarHBondContact O-N 3.43Å; Q39-S43 PolarHBondContact O-N 3.5Å |
| 40 | E | 75.1 | Confident | 69.9 | Low | 109 Ų | 109 | 98.8 Ų | 98.8 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | 176.3 | -165.1 | -174.6 | 169.6 | 0 | 0 | 112.3 | I36 S43 R44 | I36-E40 PolarHBondContact O-N 3.32Å; E40-S43 PolarHBondContact O-N 3.1Å; E40-S43 PolarHBondContact O-OG 3.39Å; E40-R44 WeakPolarHBondContact O-CG 3.4Å; E40-R44 PolarHBondContact O-N 3.49Å; E40-R44 VanDerWaalsContact O-N 3.12Å |
| 41 | R | 74.3 | Confident | 71.1 | Confident | 137 Ų | 137 | 92.9 Ų | 92.9 | 52% | 0.517 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 173.6 | -79.8 | -175.4 | 163.3 | 100.8 | 1.8 | 112 | F37 N38 S43 R44 L45 | F37-R41 WeakPolarHBondContact O-CB 3.41Å; F37-R41 WeakPolarHBondContact O-CG 3.4Å; F37-R41 PolarHBondContact O-N 3.06Å; F37-R41 VanDerWaalsContact O-N 3.1Å; N38-R41 PolarHBondContact O-N 3.34Å; R41-S43 VanDerWaalsContact C-N 3.32Å; R41-S43 PolarHBondContact O-N 3.1Å; R41-R44 PolarHBondContact O-N 3.39Å; R41-L45 WeakPolarHBondContact O-CG 3.49Å; R41-L45 PolarHBondContact O-N 3.04Å |
| 42 | N | 75.1 | Confident | 72.2 | Confident | 57 Ų | 57 | 97.3 Ų | 97.3 | 31% | 0.305 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.4 | -30.8 | 178.4 | -74.5 | -35.2 | 0 | 0 | 0 | 112.1 | N38 Q39 L45 H46 L59 | N38-N42 WeakPolarHBondContact O-CB 3.47Å; N38-N42 VanDerWaalsContact O-CG 3.31Å; N38-N42 PolarHBondContact O-N 3.27Å; N38-N42 PolarHBondContact O-ND2 2.92Å; N38-N42 VanDerWaalsContact O-ND2 3.14Å; Q39-N42 PolarHBondContact O-N 3.43Å; N42-L45 PolarHBondContact O-N 3.04Å; N42-H46 WeakPolarHBondContact O-CB 3.47Å; N42-H46 PolarHBondContact O-N 3.3Å; N42-L59 PolarHBondContact OD1-N 3.44Å |
| 43 | S | 79.3 | Confident | 72.4 | Confident | 59 Ų | 59 | 98 Ų | 98 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 173.8 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | Q39 E40 R41 H46 I47 | Q39-S43 PolarHBondContact O-N 3.5Å; E40-S43 PolarHBondContact O-N 3.1Å; E40-S43 PolarHBondContact O-OG 3.39Å; R41-S43 VanDerWaalsContact C-N 3.32Å; R41-S43 PolarHBondContact O-N 3.1Å; S43-H46 WeakPolarHBondContact O-CB 3.44Å; S43-H46 PolarHBondContact O-N 2.94Å; S43-I47 WeakPolarHBondContact O-CG1 3.39Å; S43-I47 PolarHBondContact O-N 2.96Å |
| 44 | R | 76.9 | Confident | 73 | Confident | 173 Ų | 173 | 98.5 Ų | 98.5 | 65% | 0.653 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 172.8 | -68.7 | -179.5 | 70.8 | 171.6 | 3 | 112 | E40 R41 H46 I47 L48 | E40-R44 WeakPolarHBondContact O-CG 3.4Å; E40-R44 PolarHBondContact O-N 3.49Å; E40-R44 VanDerWaalsContact O-N 3.12Å; R41-R44 PolarHBondContact O-N 3.39Å; R44-H46 VanDerWaalsContact C-N 3.3Å; R44-H46 PolarHBondContact O-N 3.38Å; R44-I47 PolarHBondContact O-N 3.45Å; R44-L48 WeakPolarHBondContact O-CG 3.41Å; R44-L48 PolarHBondContact O-N 3.36Å |
| 45 | L | 75.8 | Confident | 73.4 | Confident | 37 Ų | 37 | 103.4 Ų | 103.4 | 19% | 0.194 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -63.8 | -35.1 | 175 | -74 | 175 | 0 | 0 | 0 | 112.4 | R41 N42 L48 S49 L57 L59 | R41-L45 WeakPolarHBondContact O-CG 3.49Å; R41-L45 PolarHBondContact O-N 3.04Å; N42-L45 PolarHBondContact O-N 3.04Å; L45-L48 PolarHBondContact O-N 3.12Å; L45-S49 VanDerWaalsContact O-CB 3.3Å; L45-S49 WeakPolarHBondContact O-CB 3.3Å; L45-S49 PolarHBondContact O-N 3.5Å; L45-L57 HydrophobicContact CB-CB 4.07Å; L45-L57 HydrophobicContact CD2-CB 4.09Å; L45-L57 HydrophobicContact CD2-CD1 4.24Å; L45-L57 HydrophobicContact CG-CB 4.47Å; L45-L59 HydrophobicContact CD1-CD1 3.79Å; L45-L59 HydrophobicContact CD1-CG 4.07Å |
| 46 | H | 76.4 | Confident | 73.6 | Confident | 87 Ų | 87 | 107.6 Ų | 107.6 | 40% | 0.403 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 174.9 | -177.7 | -99.9 | 0 | 0 | 0 | 112.4 | N42 S43 R44 L48 S49 K50 | N42-H46 WeakPolarHBondContact O-CB 3.47Å; N42-H46 PolarHBondContact O-N 3.3Å; S43-H46 WeakPolarHBondContact O-CB 3.44Å; S43-H46 PolarHBondContact O-N 2.94Å; R44-H46 VanDerWaalsContact C-N 3.3Å; R44-H46 PolarHBondContact O-N 3.38Å; H46-L48 VanDerWaalsContact C-N 3.33Å; H46-L48 PolarHBondContact O-N 3.42Å; H46-S49 PolarHBondContact O-N 3.02Å; H46-K50 PolarHBondContact O-N 3.23Å |
| 47 | I | 79 | Confident | 73 | Confident | 112 Ų | 112 | 106.6 Ų | 106.6 | 57% | 0.574 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.3 | -42.7 | 173.8 | -65.4 | 166.2 | 0 | 0 | 0 | 110.4 | S43 R44 K50 A51 | S43-I47 WeakPolarHBondContact O-CG1 3.39Å; S43-I47 PolarHBondContact O-N 2.96Å; R44-I47 PolarHBondContact O-N 3.45Å; I47-K50 PolarHBondContact O-N 3.44Å; I47-A51 WeakPolarHBondContact O-CB 3.43Å; I47-A51 PolarHBondContact O-N 3.02Å |
| 48 | L | 73.6 | Confident | 73.2 | Confident | 98 Ų | 98 | 104.6 Ų | 104.6 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 177.5 | -70.3 | 171.5 | 0 | 0 | 0 | 112.6 | R44 L45 H46 K50 A51 K52 | R44-L48 WeakPolarHBondContact O-CG 3.41Å; R44-L48 PolarHBondContact O-N 3.36Å; L45-L48 PolarHBondContact O-N 3.12Å; H46-L48 VanDerWaalsContact C-N 3.33Å; H46-L48 PolarHBondContact O-N 3.42Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 2.64Å; L48-A51 PolarHBondContact O-N 3.21Å; L48-K52 WeakPolarHBondContact O-CB 3.44Å; L48-K52 PolarHBondContact O-N 3.42Å |
| 49 | S | 75.8 | Confident | 73 | Confident | 14 Ų | 14 | 107.4 Ų | 107.4 | 10% | 0.098 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 174.8 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L45 H46 G53 V54 R56 | L45-S49 VanDerWaalsContact O-CB 3.3Å; L45-S49 WeakPolarHBondContact O-CB 3.3Å; L45-S49 PolarHBondContact O-N 3.5Å; H46-S49 PolarHBondContact O-N 3.02Å; S49-G53 PolarHBondContact O-N 3.38Å; S49-G53 VanDerWaalsContact O-N 3.14Å; S49-V54 PolarHBondContact O-N 3.03Å; S49-V54 PolarHBondContact OG-O 3.48Å; S49-R56 WeakPolarHBondContact OG-CA 3.46Å |
| 50 | K | 78 | Confident | 72.7 | Confident | 162 Ų | 162 | 106.6 Ų | 106.6 | 70% | 0.704 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.8 | -43.1 | 173.3 | -82.5 | -169.9 | 172.7 | -173.9 | 0 | 113.1 | H46 I47 L48 K52 | H46-K50 PolarHBondContact O-N 3.23Å; I47-K50 PolarHBondContact O-N 3.44Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 2.64Å; K50-K52 VanDerWaalsContact C-N 3.29Å; K50-K52 PolarHBondContact O-N 3.14Å |
| 51 | A | 75.8 | Confident | 71.8 | Confident | 77 Ų | 77 | 109.4 Ų | 109.4 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.4 | -24.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I47 L48 | I47-A51 WeakPolarHBondContact O-CB 3.43Å; I47-A51 PolarHBondContact O-N 3.02Å; L48-A51 PolarHBondContact O-N 3.21Å |
| 52 | K | 75.4 | Confident | 70.4 | Confident | 169 Ų | 169 | 111 Ų | 111 | 74% | 0.735 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -110.4 | 1.4 | -176.1 | -69 | -71.6 | -178.6 | -178.8 | 0 | 114.2 | L48 K50 V54 | L48-K52 WeakPolarHBondContact O-CB 3.44Å; L48-K52 PolarHBondContact O-N 3.42Å; K50-K52 VanDerWaalsContact C-N 3.29Å; K50-K52 PolarHBondContact O-N 3.14Å; K52-V54 HydrophobicContact CB-CG2 3.48Å; K52-V54 VanDerWaalsContact CB-CG2 3.48Å; K52-V54 WeakPolarHBondContact O-CG2 3.38Å; K52-V54 PolarHBondContact O-N 3.28Å |
| 53 | G | 60.3 | Low | 68.7 | Low | 76 Ų | 76 | 113.6 Ų | 113.6 | 78% | 0.784 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.2 | 24.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | S49 | S49-G53 PolarHBondContact O-N 3.38Å; S49-G53 VanDerWaalsContact O-N 3.14Å |
| 54 | V | 72.3 | Confident | 67 | Low | 79 Ų | 79 | 118.3 Ų | 118.3 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | trans | -102.9 | 144.3 | -175.4 | -140.6 | 0 | 0 | 0 | 0 | 110.1 | S49 K52 | S49-V54 PolarHBondContact O-N 3.03Å; S49-V54 PolarHBondContact OG-O 3.48Å; K52-V54 HydrophobicContact CB-CG2 3.48Å; K52-V54 VanDerWaalsContact CB-CG2 3.48Å; K52-V54 WeakPolarHBondContact O-CG2 3.38Å; K52-V54 PolarHBondContact O-N 3.28Å | ||
| 55 | K | 71.2 | Confident | 65.1 | Low | 195 Ų | 195 | 115.3 Ų | 115.3 | 85% | 0.848 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -48.5 | 139.1 | 174.9 | -128.6 | 173.9 | -177.4 | 176.7 | 0 | 110.7 | L57 | K55-L57 PolarHBondContact O-N 2.85Š|
| 56 | R | 71.4 | Confident | 63.2 | Low | 202 Ų | 202 | 122 Ų | 122 | 76% | 0.762 | 64% | 0.64 | S | S | * | * | trans | -37.8 | 115.9 | -173.5 | -171.6 | 178.8 | 177.5 | 179.7 | -0.9 | 112.6 | S49 | S49-R56 WeakPolarHBondContact OG-CA 3.46Š| ||
| 57 | L | 57.2 | Low | 61.3 | Low | 81 Ų | 81 | 126.9 Ų | 126.9 | 42% | 0.424 | 66% | 0.663 | S | S | . | * | trans | -83.5 | 124.9 | 172.6 | -63.1 | 172.6 | 0 | 0 | 0 | 109 | L45 K55 | L45-L57 HydrophobicContact CB-CB 4.07Å; L45-L57 HydrophobicContact CD2-CB 4.09Å; L45-L57 HydrophobicContact CD2-CD1 4.24Å; L45-L57 HydrophobicContact CG-CB 4.47Å; K55-L57 PolarHBondContact O-N 2.85Å | ||
| 58 | S | 71.9 | Confident | 59.3 | Low | 72 Ų | 72 | 127.5 Ų | 127.5 | 50% | 0.503 | 68% | 0.677 | S | S | . | * | trans | -139.4 | 141.4 | 174.2 | 58.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 59 | L | 64 | Low | 57.7 | Low | 116 Ų | 116 | 132 Ų | 132 | 61% | 0.607 | 70% | 0.695 | S | S | * | * | trans | -92.8 | 114.7 | 171.9 | -77.6 | 152 | 0 | 0 | 0 | 109.2 | N42 L45 | N42-L59 PolarHBondContact OD1-N 3.44Å; L45-L59 HydrophobicContact CD1-CD1 3.79Å; L45-L59 HydrophobicContact CD1-CG 4.07Å | ||
| 60 | I | 68.3 | Low | 56 | Low | 127 Ų | 127 | 135.9 Ų | 135.9 | 65% | 0.651 | 72% | 0.72 | S | S | * | * | trans | -103 | 119.9 | 172.7 | -60.3 | 171.9 | 0 | 0 | 0 | 107.8 | ||||
| 61 | K | 54.9 | Low | 54.1 | Low | 168 Ų | 168 | 137.8 Ų | 137.8 | 73% | 0.73 | 73% | 0.731 | S | S | * | * | trans | -81.9 | 115.9 | 164.6 | -87.9 | -178.3 | 174.9 | 179.2 | 0 | 107.8 | S63 | K61-S63 PolarHBondContact O-N 3.38Š| ||
| 62 | H | 45.5 | Very low | 52.5 | Low | 169 Ų | 169 | 140 Ų | 140 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | trans | -81.7 | 105.1 | 164.1 | -74.7 | -78.6 | 0 | 0 | 0 | 108.5 | ||||
| 63 | S | 40.6 | Very low | 51 | Low | 112 Ų | 112 | 137.2 Ų | 137.2 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -91.5 | 111.9 | 159.4 | 51.7 | 0 | 0 | 0 | 0 | 107.8 | K61 S65 | K61-S63 PolarHBondContact O-N 3.38Å; S63-S65 PolarHBondContact O-N 3.12Å | ||
| 64 | I | 42.5 | Very low | 50.1 | Low | 158 Ų | 158 | 140.5 Ų | 140.5 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -85.4 | 107 | 169.6 | -59.1 | 167.9 | 0 | 0 | 0 | 105.7 | ||||
| 65 | S | 38 | Very low | 48.7 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -97.8 | 116.6 | 162.7 | 68.1 | 0 | 0 | 0 | 0 | 108.5 | S63 | S63-S65 PolarHBondContact O-N 3.12Š| ||
| 66 | E | 34.5 | Very low | 47.2 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -65.9 | 131.2 | 164.9 | -65.3 | 176.5 | 145.2 | 0 | 0 | 110 | ||||
| 67 | Q | 36.7 | Very low | 45.8 | Very low | 190 Ų | 190 | 133.5 Ų | 133.5 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | trans | 166.6 | 107.2 | 136 | -98.5 | 178.7 | -13.2 | 0 | 0 | 110.6 | ||||
| 68 | S | 37.6 | Very low | 45 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | 172 | 120.9 | 124.1 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 69 | Q | 39.5 | Very low | 43.4 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -86.7 | -176.9 | -170.6 | -130.8 | -163.1 | -30.4 | 0 | 0 | 112 | ||||
| 70 | P | 39.4 | Very low | 42.5 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 62% | 0.623 | 79% | 0.791 | S | S | * | * | -123.3 | 172.4 | -119 | 37.3 | -16.9 | 0 | 0 | 0 | 115.1 | |||||
| 71 | Q | 39.2 | Very low | 41 | Very low | 202 Ų | 202 | 144.7 Ų | 144.7 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | trans | -127.8 | 122.3 | 160.1 | -71.6 | -173.4 | -16.5 | 0 | 0 | 110.2 | ||||
| 72 | T | 42.3 | Very low | 40.4 | Very low | 124 Ų | 124 | 143 Ų | 143 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -106.3 | -176.1 | 176.6 | 41.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 73 | P | 42.6 | Very low | 39.7 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | -139.4 | 167.6 | -52.2 | 38.1 | -22.8 | 0 | 0 | 0 | 112.2 | |||||
| 74 | V | 43.4 | Very low | 39.5 | Very low | 145 Ų | 145 | 140 Ų | 140 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -142.3 | 122.2 | 159.4 | -179.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 75 | S | 42.5 | Very low | 39.3 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 74.1 | 92.5 | 148.4 | -169 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 76 | C | 39.6 | Very low | 39.1 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | 32.2 | 163.2 | 118.3 | -58 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 77 | P | 41.1 | Very low | 39.3 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -142.8 | 173.8 | -47 | 40.3 | -22.7 | 0 | 0 | 0 | 114.5 | ||||
| 78 | N | 40.4 | Very low | 39.2 | Very low | 162 Ų | 162 | 134 Ų | 134 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | 60.8 | 105.2 | 149.1 | -98.2 | -12.3 | 0 | 0 | 0 | 121.8 | ||||
| 79 | R | 38 | Very low | 39.5 | Very low | 240 Ų | 240 | 134.8 Ų | 134.8 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -154.3 | 132.9 | 133.1 | -141.9 | 174.3 | -171 | -169.6 | 2.1 | 111.3 | ||||
| 80 | S | 44.8 | Very low | 39.5 | Very low | 97 Ų | 97 | 132.7 Ų | 132.7 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -62.6 | 163.3 | -179.1 | 31.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 81 | P | 38.5 | Very low | 39.3 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -84.1 | 130.7 | -171.1 | 33.3 | -30.9 | 0 | 0 | 0 | 111.5 | ||||
| 82 | I | 41 | Very low | 39.2 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 68% | 0.682 | 78% | 0.778 | S | S | * | * | trans | -115.2 | 127.1 | 173.8 | -66.6 | 173.4 | 0 | 0 | 0 | 109 | ||||
| 83 | S | 31.5 | Very low | 39.2 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -59.6 | 128.3 | 160.4 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 84 | C | 37.1 | Very low | 39.1 | Very low | 109 Ų | 109 | 128.5 Ų | 128.5 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -134.8 | 105.4 | 161.4 | -50.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 85 | L | 38.5 | Very low | 38.9 | Very low | 161 Ų | 161 | 126 Ų | 126 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | 58.8 | 117.3 | 84.2 | -87.5 | 154.1 | 0 | 0 | 0 | 113.7 | |||||
| 86 | N | 32.1 | Very low | 38.9 | Very low | 163 Ų | 163 | 127 Ų | 127 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -34.6 | 130.1 | 162 | -66 | -30 | 0 | 0 | 0 | 113.1 | ||||
| 87 | A | 38.4 | Very low | 38.8 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -115.1 | 105.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 88 | S | 36.6 | Very low | 38.9 | Very low | 93 Ų | 93 | 129.5 Ų | 129.5 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -58.4 | 132.8 | 160.3 | 167.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 89 | V | 43.8 | Very low | 39 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -121.7 | 99.6 | 158.6 | -178.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 90 | N | 38.6 | Very low | 39.3 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -69.9 | 137.9 | 163.5 | -73.5 | -35.9 | 0 | 0 | 0 | 109.4 | ||||
| 91 | G | 34.5 | Very low | 39.3 | Very low | 64 Ų | 64 | 128.7 Ų | 128.7 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | trans | 179.8 | 101 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 92 | P | 38.6 | Very low | 39.2 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | trans | -84.3 | 134.8 | 177.9 | 33.1 | -28.7 | 0 | 0 | 0 | 109.4 | ||||
| 93 | T | 42.2 | Very low | 39.1 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -135.9 | 111 | 162.6 | -7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 94 | S | 39.1 | Very low | 39.6 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -48.7 | 129.2 | 164.2 | 153.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 95 | A | 40.1 | Very low | 39.9 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -153.5 | 87.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 96 | V | 41.8 | Very low | 39.9 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 39.5 | 107.9 | 130.8 | -175.8 | 0 | 0 | 0 | 0 | 117.4 | T98 | V96-T98 PolarHBondContact O-N 3.49Š| ||
| 97 | E | 39.1 | Very low | 40.7 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -33.3 | 121.4 | 151.4 | -89.6 | 171.7 | 134.4 | 0 | 0 | 113.6 | ||||
| 98 | T | 43 | Very low | 40.9 | Very low | 109 Ų | 109 | 140 Ų | 140 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | trans | -134.8 | 100.8 | 147.4 | 50.1 | 0 | 0 | 0 | 0 | 109.8 | V96 K100 | V96-T98 PolarHBondContact O-N 3.49Å; T98-K100 PolarHBondContact O-N 3.18Å | ||
| 99 | N | 41.5 | Very low | 41.5 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -60.9 | 101.8 | 160.5 | -73.2 | -50.4 | 0 | 0 | 0 | 108.5 | ||||
| 100 | K | 43.6 | Very low | 41.7 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -114.8 | 99.8 | 166.4 | -77.3 | -173.6 | -179.9 | 177.2 | 0 | 109.6 | T98 L102 | T98-K100 PolarHBondContact O-N 3.18Å; K100-L102 PolarHBondContact O-N 3.17Å | ||
| 101 | I | 44.9 | Very low | 41.9 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | trans | -53.3 | 114.6 | 165.2 | -65.2 | 163.4 | 0 | 0 | 0 | 108.3 | T103 | I101-T103 HydrophobicContact CG2-CG2 4.25Å; I101-T103 PolarHBondContact O-N 3.47Å | ||
| 102 | L | 36.9 | Very low | 42.4 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -78 | 99.4 | 167.2 | -79.6 | 165.5 | 0 | 0 | 0 | 108.2 | K100 | K100-L102 PolarHBondContact O-N 3.17Š| ||
| 103 | T | 39.2 | Very low | 42.4 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | -85.9 | 116.1 | 164 | 26.3 | 0 | 0 | 0 | 0 | 108.1 | I101 R105 | I101-T103 HydrophobicContact CG2-CG2 4.25Å; I101-T103 PolarHBondContact O-N 3.47Å; T103-R105 PolarHBondContact O-N 3.23Å | ||
| 104 | F | 42.7 | Very low | 42.5 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -74.3 | 115.5 | 167.2 | -71.3 | -84 | 0 | 0 | 0 | 107.8 | D106 | F104-D106 PolarHBondContact O-N 2.89Š| ||
| 105 | R | 42.1 | Very low | 42.9 | Very low | 233 Ų | 233 | 144.4 Ų | 144.4 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -70.3 | 122.2 | 166.7 | -73.8 | -177 | 174 | 170.1 | -2.3 | 107.9 | T103 I107 | T103-R105 PolarHBondContact O-N 3.23Å; R105-I107 PolarHBondContact O-N 3.15Å | ||
| 106 | D | 39.8 | Very low | 42.8 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | trans | -57.2 | 128.7 | 161.3 | -73.5 | -46.4 | 0 | 0 | 0 | 108.5 | F104 | F104-D106 PolarHBondContact O-N 2.89Š| ||
| 107 | I | 48.2 | Very low | 43 | Very low | 140 Ų | 140 | 151.7 Ų | 151.7 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | -88.4 | 114 | 173.5 | -67.9 | 169.2 | 0 | 0 | 0 | 106.2 | R105 H109 | R105-I107 PolarHBondContact O-N 3.15Å; I107-H109 PolarHBondContact O-N 3.33Å | ||
| 108 | D | 41.6 | Very low | 43 | Very low | 153 Ų | 153 | 152.8 Ų | 152.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124 | 171.1 | -66.4 | -49.2 | 0 | 0 | 0 | 110.2 | ||
| 109 | H | 49.3 | Very low | 43.2 | Very low | 169 Ų | 169 | 155.6 Ų | 155.6 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 129.9 | 163.4 | -74.4 | -42.7 | 0 | 0 | 0 | 109.5 | I107 | I107-H109 PolarHBondContact O-N 3.33Š|
| 110 | P | 49.3 | Very low | 43.2 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 144.1 | 179.3 | 30.2 | -32 | 0 | 0 | 0 | 111.8 | ||
| 111 | T | 41.9 | Very low | 43.3 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 129 | 178.1 | -45.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 112 | V | 45.4 | Very low | 42.9 | Very low | 138 Ų | 138 | 153 Ų | 153 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -130.4 | 112.2 | 149.8 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 113 | G | 38.5 | Very low | 43.1 | Very low | 63 Ų | 63 | 150.7 Ų | 150.7 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | -75.7 | 139.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 114 | I | 44.5 | Very low | 43.2 | Very low | 162 Ų | 162 | 153.4 Ų | 153.4 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -137.1 | 132 | 154.9 | -60.6 | -176.8 | 0 | 0 | 0 | 108.6 | ||||
| 115 | T | 47.6 | Very low | 43.2 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -59.3 | 145.5 | -172.5 | 47.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 116 | S | 38 | Very low | 43.1 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -53.9 | 134.3 | 168.9 | -49.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 117 | R | 44.9 | Very low | 43.1 | Very low | 245 Ų | 245 | 142.5 Ų | 142.5 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -133.2 | 130 | 150.4 | -91.9 | -172.6 | -172.8 | 173.3 | 3.5 | 111.1 | ||||
| 118 | K | 40.8 | Very low | 42.8 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -67 | 130.8 | 176.4 | -149.4 | 178.3 | -174.7 | -178 | 0 | 109.1 | ||||
| 119 | I | 45.9 | Very low | 42.7 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | trans | -127.6 | 123.7 | 159.4 | -68.9 | 177.3 | 0 | 0 | 0 | 107.8 | ||||
| 120 | S | 42.5 | Very low | 42.5 | Very low | 84 Ų | 84 | 139.9 Ų | 139.9 | 59% | 0.587 | 81% | 0.806 | S | S | * | * | trans | -97.9 | 161.6 | 176.5 | -49.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 121 | Q | 44.8 | Very low | 42.3 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | 75.2 | 116.4 | 162.5 | -55.8 | 174.1 | -7.9 | 0 | 0 | 115.9 | ||||
| 122 | N | 37.8 | Very low | 42.1 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | -173.5 | 153.2 | 89.6 | -154 | 3 | 0 | 0 | 0 | 111 | |||||
| 123 | T | 41.2 | Very low | 41.8 | Very low | 104 Ų | 104 | 141 Ų | 141 | 64% | 0.638 | 81% | 0.808 | S | S | * | * | trans | -79.3 | 166.9 | -165.9 | 38.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 124 | Q | 41.4 | Very low | 42.1 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | 73.1 | 104.3 | 148.4 | -76.8 | 163.2 | 12.6 | 0 | 0 | 118.4 | ||||
| 125 | S | 41.8 | Very low | 41.8 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -162.6 | 136.3 | 130.3 | 8.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 126 | S | 39.9 | Very low | 42 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -82.5 | 158.1 | -167.9 | -48.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 127 | S | 39.8 | Very low | 42.6 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | 58 | 109.9 | 144.7 | 60.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 128 | S | 41.5 | Very low | 43.3 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | -168.4 | 119.7 | 111.5 | 39.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 129 | S | 40.8 | Very low | 44.4 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -79.4 | 130.8 | 179.5 | 38.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 130 | L | 44.3 | Very low | 45.5 | Very low | 174 Ų | 174 | 139.6 Ų | 139.6 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -143.4 | 91.4 | 154.1 | -74.6 | 178.7 | 0 | 0 | 0 | 109.2 | ||||
| 131 | T | 44.2 | Very low | 46.5 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -137 | 100.8 | 156.2 | 47.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 132 | S | 38.2 | Very low | 47.8 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | trans | -113.8 | 123.8 | 154.2 | 56.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 133 | L | 39 | Very low | 49.1 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | 172.7 | 124.8 | 140.1 | -89.2 | 161.3 | 0 | 0 | 0 | 108.6 | ||||
| 134 | I | 45.8 | Very low | 50.3 | Low | 153 Ų | 153 | 137.8 Ų | 137.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 88.6 | 74 | 163.3 | -38.4 | 150.8 | 0 | 0 | 0 | 116.4 | T136 | I134-T136 PolarHBondContact O-N 2.83Š| ||
| 135 | N | 38.5 | Very low | 51.6 | Low | 150 Ų | 150 | 131.3 Ų | 131.3 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 1 | 94.9 | 130.2 | -163.9 | 16.7 | 0 | 0 | 0 | 116.3 | ||||
| 136 | T | 51 | Low | 52.7 | Low | 115 Ų | 115 | 130 Ų | 130 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | -158.5 | 140.2 | 137.1 | 52.5 | 0 | 0 | 0 | 0 | 107.6 | I134 R138 | I134-T136 PolarHBondContact O-N 2.83Å; T136-R138 PolarHBondContact O-N 3.24Å | ||
| 137 | N | 51.7 | Low | 53.8 | Low | 171 Ų | 171 | 129.9 Ų | 129.9 | 91% | 0.914 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -63.1 | 56.5 | -171.7 | -71.9 | -43 | 0 | 0 | 0 | 115.8 | ||
| 138 | R | 58.8 | Low | 54.9 | Low | 222 Ų | 222 | 127.1 Ų | 127.1 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -129.8 | 137.8 | 174.3 | -78.6 | -176.3 | 176 | -179.3 | -0.6 | 111.6 | T136 | T136-R138 PolarHBondContact O-N 3.24Š|
| 139 | P | 64.5 | Low | 55.9 | Low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | trans | -61.3 | 138.7 | -178.6 | 24.5 | -32.5 | 0 | 0 | 0 | 110.8 | L141 | P139-L141 PolarHBondContact O-N 2.93Š| ||
| 140 | P | 68.4 | Low | 57 | Low | 129 Ų | 129 | 125.5 Ų | 125.5 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | trans | -64.1 | 121.3 | -177.9 | 25.7 | -33.1 | 0 | 0 | 0 | 110.3 | S142 | P140-S142 PolarHBondContact O-N 2.74Š| ||
| 141 | L | 64.1 | Low | 57.7 | Low | 148 Ų | 148 | 127.4 Ų | 127.4 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -66.8 | 115.7 | 176.5 | -74.4 | 164 | 0 | 0 | 0 | 109.7 | P139 L143 I146 | P139-L141 PolarHBondContact O-N 2.93Å; L141-L143 PolarHBondContact O-N 3.29Å; L141-I146 HydrophobicContact CB-CD1 4.42Å; L141-I146 HydrophobicContact CB-CG1 4.43Å | ||
| 142 | S | 70.7 | Confident | 58.4 | Low | 79 Ų | 79 | 126 Ų | 126 | 55% | 0.552 | 68% | 0.684 | S | S | * | * | trans | -55.8 | 131.9 | 171.9 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | P140 L144 G145 I146 | P140-S142 PolarHBondContact O-N 2.74Å; S142-L144 PolarHBondContact O-N 3.43Å; S142-L144 VanDerWaalsContact O-N 3.13Å; S142-L144 PolarHBondContact OG-N 3.15Å; S142-G145 WeakPolarHBondContact O-CA 2.88Å; S142-G145 PolarHBondContact O-N 3.06Å; S142-I146 PolarHBondContact O-N 3.18Å; S142-I146 VanDerWaalsContact O-N 3.15Å | ||
| 143 | L | 66.7 | Low | 59.4 | Low | 132 Ų | 132 | 125.1 Ų | 125.1 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -55.1 | -31.6 | 177.2 | -148.8 | 155.8 | 0 | 0 | 0 | 111.4 | L141 I146 L147 | L141-L143 PolarHBondContact O-N 3.29Å; L143-I146 PolarHBondContact O-N 3.23Å; L143-L147 HydrophobicContact CD2-CD1 4.22Å; L143-L147 PolarHBondContact O-N 2.91Å; L143-L147 VanDerWaalsContact O-N 3.12Å |
| 144 | L | 65.8 | Low | 60.1 | Low | 134 Ų | 134 | 126.6 Ų | 126.6 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.1 | -36.8 | 173.5 | -151.6 | 75.7 | 0 | 0 | 0 | 112.1 | S142 L147 A148 | S142-L144 PolarHBondContact O-N 3.43Å; S142-L144 VanDerWaalsContact O-N 3.13Å; S142-L144 PolarHBondContact OG-N 3.15Å; L144-L147 PolarHBondContact O-N 2.86Å; L144-A148 WeakPolarHBondContact O-CB 3.05Å; L144-A148 PolarHBondContact O-N 2.54Å |
| 145 | G | 68.2 | Low | 60.6 | Low | 40 Ų | 40 | 127.2 Ų | 127.2 | 41% | 0.412 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.6 | -38.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S142 A148 A149 | S142-G145 WeakPolarHBondContact O-CA 2.88Å; S142-G145 PolarHBondContact O-N 3.06Å; G145-A148 PolarHBondContact O-N 3.19Å; G145-A149 WeakPolarHBondContact O-CB 3.4Å; G145-A149 PolarHBondContact O-N 3.36Å |
| 146 | I | 65 | Low | 61.5 | Low | 100 Ų | 100 | 127.8 Ų | 127.8 | 51% | 0.513 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -64.9 | -41.5 | 175.2 | -60.9 | 174.2 | 0 | 0 | 0 | 110.7 | L141 S142 L143 K150 | L141-I146 HydrophobicContact CB-CD1 4.42Å; L141-I146 HydrophobicContact CB-CG1 4.43Å; S142-I146 PolarHBondContact O-N 3.18Å; S142-I146 VanDerWaalsContact O-N 3.15Å; L143-I146 PolarHBondContact O-N 3.23Å; I146-K150 PolarHBondContact O-N 2.95Å |
| 147 | L | 64.1 | Low | 61.7 | Low | 106 Ų | 106 | 128.6 Ų | 128.6 | 56% | 0.555 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -68.6 | -36.6 | 175.4 | -73.4 | 174.1 | 0 | 0 | 0 | 112.7 | L143 L144 K150 | L143-L147 HydrophobicContact CD2-CD1 4.22Å; L143-L147 PolarHBondContact O-N 2.91Å; L143-L147 VanDerWaalsContact O-N 3.12Å; L144-L147 PolarHBondContact O-N 2.86Å; L147-K150 PolarHBondContact O-N 2.88Å |
| 148 | A | 61.5 | Low | 61.8 | Low | 53 Ų | 53 | 124 Ų | 124 | 44% | 0.438 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.5 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L144 G145 K150 R151 I152 | L144-A148 WeakPolarHBondContact O-CB 3.05Å; L144-A148 PolarHBondContact O-N 2.54Å; G145-A148 PolarHBondContact O-N 3.19Å; A148-K150 PolarHBondContact O-N 3.29Å; A148-R151 PolarHBondContact O-N 3.16Å; A148-R151 VanDerWaalsContact O-N 3.08Å; A148-I152 PolarHBondContact O-N 3.18Å |
| 149 | A | 62.3 | Low | 61.7 | Low | 59 Ų | 59 | 118.2 Ų | 118.2 | 49% | 0.488 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -60.4 | -34.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G145 R151 I152 T153 | G145-A149 WeakPolarHBondContact O-CB 3.4Å; G145-A149 PolarHBondContact O-N 3.36Å; A149-R151 VanDerWaalsContact C-N 3.26Å; A149-R151 PolarHBondContact O-N 3.48Å; A149-I152 PolarHBondContact O-N 3.2Å; A149-T153 PolarHBondContact O-N 3.4Å; A149-T153 PolarHBondContact O-OG1 2.94Å |
| 150 | K | 64.2 | Low | 61.3 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 60% | 0.604 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.3 | -23.3 | 177.6 | -164.4 | 173 | 179.6 | 177 | 0 | 113.7 | I146 L147 A148 | I146-K150 PolarHBondContact O-N 2.95Å; L147-K150 PolarHBondContact O-N 2.88Å; A148-K150 PolarHBondContact O-N 3.29Å |
| 151 | R | 60.3 | Low | 60.6 | Low | 215 Ų | 215 | 119.6 Ų | 119.6 | 81% | 0.811 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -86.2 | -26.8 | 179 | -148.6 | 175 | -172.3 | 142.6 | 0.5 | 112.4 | A148 A149 | A148-R151 PolarHBondContact O-N 3.16Å; A148-R151 VanDerWaalsContact O-N 3.08Å; A149-R151 VanDerWaalsContact C-N 3.26Å; A149-R151 PolarHBondContact O-N 3.48Å |
| 152 | I | 57.9 | Low | 59.9 | Low | 116 Ų | 116 | 119.2 Ų | 119.2 | 60% | 0.595 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -78.3 | -33.8 | -176.7 | -68.1 | 169.5 | 0 | 0 | 0 | 111.8 | A148 A149 R154 K155 | A148-I152 PolarHBondContact O-N 3.18Å; A149-I152 PolarHBondContact O-N 3.2Å; I152-R154 VanDerWaalsContact C-N 3.26Å; I152-R154 PolarHBondContact O-N 3.47Å; I152-K155 PolarHBondContact O-N 2.8Å |
| 153 | T | 58.4 | Low | 59 | Low | 90 Ų | 90 | 121.6 Ų | 121.6 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.8 | -18.6 | -179.5 | 33.9 | 0 | 0 | 0 | 0 | 114.8 | A149 | A149-T153 PolarHBondContact O-N 3.4Å; A149-T153 PolarHBondContact O-OG1 2.94Å |
| 154 | R | 54.7 | Low | 58.4 | Low | 195 Ų | 195 | 122.9 Ų | 122.9 | 74% | 0.736 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.6 | -24.9 | 176.2 | -67.1 | -168.1 | -158.2 | -179.2 | 4 | 113.9 | I152 | I152-R154 VanDerWaalsContact C-N 3.26Å; I152-R154 PolarHBondContact O-N 3.47Å |
| 155 | K | 56.1 | Low | 57.7 | Low | 165 Ų | 165 | 124.3 Ų | 124.3 | 72% | 0.717 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -85.8 | -25.1 | -175.9 | -73.2 | -163.7 | 171.1 | -169.5 | 0 | 113.8 | I152 S158 | I152-K155 PolarHBondContact O-N 2.8Å; K155-S158 PolarHBondContact O-OG 3.43Å |
| 156 | F | 56.7 | Low | 56.7 | Low | 162 Ų | 162 | 130 Ų | 130 | 71% | 0.711 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79 | -25.9 | 176.9 | -106.5 | -86.2 | 0 | 0 | 0 | 113.5 | T159 | F156-T159 PolarHBondContact O-OG1 3.32Å |
| 157 | L | 55.3 | Low | 56 | Low | 133 Ų | 133 | 136.9 Ų | 136.9 | 70% | 0.696 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -79.9 | -21.6 | 176.2 | -80.8 | 161 | 0 | 0 | 0 | 113.1 | T159 | L157-T159 VanDerWaalsContact C-N 3.33Å |
| 158 | S | 54.7 | Low | 55.3 | Low | 73 Ų | 73 | 142.5 Ų | 142.5 | 51% | 0.51 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.8 | -12.4 | 177.3 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | K155 | K155-S158 PolarHBondContact O-OG 3.43Š|
| 159 | T | 56.5 | Low | 54.5 | Low | 101 Ų | 101 | 146.9 Ų | 146.9 | 62% | 0.62 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -2.3 | -177.1 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | F156 L157 | F156-T159 PolarHBondContact O-OG1 3.32Å; L157-T159 VanDerWaalsContact C-N 3.33Å |
| 160 | L | 55.4 | Low | 53.9 | Low | 153 Ų | 153 | 149.6 Ų | 149.6 | 80% | 0.801 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -98.7 | -1.9 | 173.8 | -84.9 | 169.4 | 0 | 0 | 0 | 113.5 | ||
| 161 | T | 53.9 | Low | 53.3 | Low | 119 Ų | 119 | 147.5 Ų | 147.5 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | trans | -105.8 | 66.6 | 174.4 | 61.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 162 | D | 49.8 | Very low | 52.9 | Low | 139 Ų | 139 | 147.7 Ų | 147.7 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | -98.2 | 149.7 | 168.7 | -157.4 | 3.6 | 0 | 0 | 0 | 109.7 | ||||
| 163 | E | 52.4 | Low | 52.5 | Low | 130 Ų | 130 | 146.2 Ų | 146.2 | 61% | 0.607 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 73 | 88.1 | 171 | -70.4 | -92.5 | 114.4 | 0 | 0 | 118.4 | H165 | E163-H165 PolarHBondContact O-N 3.47Š|
| 164 | K | 52.8 | Low | 52.1 | Low | 158 Ų | 158 | 152.9 Ų | 152.9 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | S | Bend | 88.9 | -23.1 | 126.5 | -80.1 | -177.2 | -177.7 | 113.7 | 0 | 123.3 | |||
| 165 | H | 51.2 | Low | 51.8 | Low | 165 Ų | 165 | 152.3 Ų | 152.3 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | trans | -133 | 108.4 | -176.2 | -67.7 | -15.1 | 0 | 0 | 0 | 112.7 | E163 | E163-H165 PolarHBondContact O-N 3.47Š| ||
| 166 | Q | 47.1 | Very low | 51.6 | Low | 160 Ų | 160 | 149.3 Ų | 149.3 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | 159.9 | 86.1 | 131.6 | -122.5 | 85.5 | -4.1 | 0 | 0 | 109.1 | ||||
| 167 | R | 51.7 | Low | 51.2 | Low | 243 Ų | 243 | 146.5 Ų | 146.5 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | trans | -67.9 | 139.3 | 148.4 | -74.7 | 178.2 | -175.4 | 155.8 | 1.3 | 106.9 | ||||
| 168 | R | 47.8 | Very low | 50.9 | Low | 225 Ų | 225 | 151.3 Ų | 151.3 | 85% | 0.849 | 76% | 0.755 | S | S | * | * | trans | 81.6 | 84.3 | 177.5 | -53.1 | 179.8 | 85.5 | 178 | 8.4 | 115.6 | ||||
| 169 | L | 45.9 | Very low | 50.6 | Low | 144 Ų | 144 | 152.2 Ų | 152.2 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | -148.2 | 79.8 | 140.2 | -78.2 | -174.8 | 0 | 0 | 0 | 109.4 | T171 | L169-T171 PolarHBondContact O-N 3.35Å; L169-T171 VanDerWaalsContact O-N 3.09Å | ||
| 170 | S | 49.6 | Very low | 50.4 | Low | 116 Ų | 116 | 153.5 Ų | 153.5 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -72.8 | 79.8 | 158 | 50.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 171 | T | 52 | Low | 50.3 | Low | 95 Ų | 95 | 149.5 Ų | 149.5 | 58% | 0.583 | 76% | 0.761 | S | S | * | * | trans | -159.5 | 77.7 | 165.9 | 24.6 | 0 | 0 | 0 | 0 | 107.5 | L169 S173 | L169-T171 PolarHBondContact O-N 3.35Å; L169-T171 VanDerWaalsContact O-N 3.09Å; T171-S173 PolarHBondContact O-N 3.3Å | ||
| 172 | F | 50.7 | Low | 49.9 | Very low | 220 Ų | 220 | 148 Ų | 148 | 97% | 0.965 | 76% | 0.755 | S | S | * | * | trans | -69.2 | 82.3 | 154.8 | -76 | -78.8 | 0 | 0 | 0 | 107 | ||||
| 173 | S | 49.7 | Very low | 49.8 | Very low | 85 Ų | 85 | 151.6 Ų | 151.6 | 59% | 0.594 | 76% | 0.76 | S | S | * | * | trans | -142.7 | 107.6 | 171.6 | -74.2 | 0 | 0 | 0 | 0 | 106.5 | T171 | T171-S173 PolarHBondContact O-N 3.3Š| ||
| 174 | R | 49.8 | Very low | 49.7 | Very low | 230 Ų | 230 | 152.3 Ų | 152.3 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | trans | 77.3 | 51.5 | 152.2 | -52.8 | 177.8 | 178.4 | 168.5 | -1.4 | 118.3 | S176 | R174-S176 VanDerWaalsContact C-N 3.28Š| ||
| 175 | L | 49.2 | Very low | 49.7 | Very low | 182 Ų | 182 | 151.5 Ų | 151.5 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | trans | -95.8 | 57.1 | 148.3 | -81 | 145.1 | 0 | 0 | 0 | 109.6 | S177 | L175-S177 VanDerWaalsContact C-N 3.32Å; L175-S177 PolarHBondContact O-N 2.81Å | ||
| 176 | S | 51.2 | Low | 50 | Low | 102 Ų | 102 | 148.8 Ų | 148.8 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | trans | -87.1 | 88.2 | 154.2 | 55.6 | 0 | 0 | 0 | 0 | 105.8 | R174 Y178 | R174-S176 VanDerWaalsContact C-N 3.28Å; S176-Y178 PolarHBondContact O-N 3.32Å | ||
| 177 | S | 49.9 | Very low | 50.5 | Low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | trans | -44.7 | 121.5 | 171.4 | 38.2 | 0 | 0 | 0 | 0 | 111 | L175 S179 | L175-S177 VanDerWaalsContact C-N 3.32Å; L175-S177 PolarHBondContact O-N 2.81Å; S177-S179 PolarHBondContact O-N 2.91Å | ||
| 178 | Y | 47.9 | Very low | 50.6 | Low | 234 Ų | 234 | 145 Ų | 145 | 92% | 0.918 | 75% | 0.75 | S | S | * | * | trans | -26.3 | 97.7 | 161.1 | -68.3 | -94.8 | 0 | 0 | 0 | 112.8 | S176 | S176-Y178 PolarHBondContact O-N 3.32Š| ||
| 179 | S | 48.4 | Very low | 51.2 | Low | 92 Ų | 92 | 140.6 Ų | 140.6 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | -106.4 | 117.6 | 153.3 | 178.6 | 0 | 0 | 0 | 0 | 106.1 | S177 A181 | S177-S179 PolarHBondContact O-N 2.91Å; S179-A181 PolarHBondContact O-N 2.86Å; S179-A181 VanDerWaalsContact O-N 3.08Å; S179-A181 WeakPolarHBondContact OG-CB 3.38Å | ||
| 180 | P | 51.5 | Low | 51.8 | Low | 129 Ų | 129 | 138.4 Ų | 138.4 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | trans | -76 | 18.6 | 175.9 | 32.1 | -32.5 | 0 | 0 | 0 | 112.5 | S182 | P180-S182 VanDerWaalsContact C-N 3.33Å; P180-S182 PolarHBondContact O-N 2.81Å | ||
| 181 | A | 54.8 | Low | 52.4 | Low | 69 Ų | 69 | 138.6 Ų | 138.6 | 57% | 0.57 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -72.6 | 90 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S179 | S179-A181 PolarHBondContact O-N 2.86Å; S179-A181 VanDerWaalsContact O-N 3.08Å; S179-A181 WeakPolarHBondContact OG-CB 3.38Å |
| 182 | S | 45.8 | Very low | 53.1 | Low | 87 Ų | 87 | 142.1 Ų | 142.1 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | trans | 45 | 90.3 | 148.4 | 33.8 | 0 | 0 | 0 | 0 | 115.5 | P180 N184 | P180-S182 VanDerWaalsContact C-N 3.33Å; P180-S182 PolarHBondContact O-N 2.81Å; S182-N184 PolarHBondContact O-N 2.81Å | ||
| 183 | Y | 47.5 | Very low | 54 | Low | 215 Ų | 215 | 133.8 Ų | 133.8 | 84% | 0.843 | 71% | 0.705 | S | S | * | * | trans | -59.4 | 62.1 | 152.4 | 46.9 | -88.3 | 0 | 0 | 0 | 111.3 | L185 | Y183-L185 PolarHBondContact O-N 3.38Å; Y183-L185 VanDerWaalsContact O-N 3.15Å | ||
| 184 | N | 49.9 | Very low | 55.2 | Low | 144 Ų | 144 | 136.5 Ų | 136.5 | 77% | 0.77 | 71% | 0.713 | S | S | * | * | trans | -81.1 | 55.7 | 142.6 | -73.8 | -22.8 | 0 | 0 | 0 | 107.1 | S182 I186 | S182-N184 PolarHBondContact O-N 2.81Å; N184-I186 PolarHBondContact O-N 3.26Å | ||
| 185 | L | 52.2 | Low | 56.4 | Low | 141 Ų | 141 | 126.3 Ų | 126.3 | 74% | 0.738 | 68% | 0.679 | S | S | * | * | trans | -70.8 | 84.6 | 159.7 | -142 | 85.5 | 0 | 0 | 0 | 103.7 | Y183 N187 | Y183-L185 PolarHBondContact O-N 3.38Å; Y183-L185 VanDerWaalsContact O-N 3.15Å; L185-N187 VanDerWaalsContact C-N 3.26Å; L185-N187 PolarHBondContact O-N 2.69Å | ||
| 186 | I | 57.1 | Low | 57.9 | Low | 108 Ų | 108 | 118.5 Ų | 118.5 | 55% | 0.554 | 64% | 0.639 | S | S | * | * | trans | -56.6 | 105.1 | 165.8 | -62.5 | 172.4 | 0 | 0 | 0 | 103.6 | N184 Y188 | N184-I186 PolarHBondContact O-N 3.26Å; I186-Y188 HydrophobicContact CB-CD2 4.07Å; I186-Y188 HydrophobicContact CB-CE2 3.75Å; I186-Y188 HydrophobicContact CD1-CE2 4.42Å; I186-Y188 HydrophobicContact CG2-CD1 4.25Å; I186-Y188 HydrophobicContact CG2-CD2 3.79Å; I186-Y188 HydrophobicContact CG2-CE1 4.06Å; I186-Y188 HydrophobicContact CG2-CE2 3.58Å; I186-Y188 HydrophobicContact CG2-CG 4.13Å; I186-Y188 WeakPolarHBondContact O-CD2 3.4Å; I186-Y188 PolarHBondContact O-N 3.06Å | ||
| 187 | N | 57.3 | Low | 59.2 | Low | 136 Ų | 136 | 121.4 Ų | 121.4 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | trans | -61.9 | 84.3 | 166.6 | -86.9 | -18.4 | 0 | 0 | 0 | 105.8 | L185 L189 | L185-N187 VanDerWaalsContact C-N 3.26Å; L185-N187 PolarHBondContact O-N 2.69Å; N187-L189 PolarHBondContact O-N 3.41Å | ||
| 188 | Y | 54.8 | Low | 60.6 | Low | 188 Ų | 188 | 123.5 Ų | 123.5 | 74% | 0.737 | 64% | 0.637 | S | S | * | * | trans | -64.9 | 99.2 | 159.5 | -70.8 | -79.1 | 0 | 0 | 0 | 104.5 | I186 | I186-Y188 HydrophobicContact CB-CD2 4.07Å; I186-Y188 HydrophobicContact CB-CE2 3.75Å; I186-Y188 HydrophobicContact CD1-CE2 4.42Å; I186-Y188 HydrophobicContact CG2-CD1 4.25Å; I186-Y188 HydrophobicContact CG2-CD2 3.79Å; I186-Y188 HydrophobicContact CG2-CE1 4.06Å; I186-Y188 HydrophobicContact CG2-CE2 3.58Å; I186-Y188 HydrophobicContact CG2-CG 4.13Å; I186-Y188 WeakPolarHBondContact O-CD2 3.4Å; I186-Y188 PolarHBondContact O-N 3.06Å | ||
| 189 | L | 59.3 | Low | 62.4 | Low | 133 Ų | 133 | 117 Ų | 117 | 70% | 0.696 | 62% | 0.617 | S | S | * | * | trans | -49.8 | 136.7 | 154.9 | -78.6 | 95.1 | 0 | 0 | 0 | 105.6 | N187 T191 | N187-L189 PolarHBondContact O-N 3.41Å; L189-T191 PolarHBondContact O-N 2.99Å; L189-T191 PolarHBondContact O-OG1 3.43Å | ||
| 190 | P | 60.3 | Low | 64.1 | Low | 98 Ų | 98 | 113.2 Ų | 113.2 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | trans | -66.2 | 84.1 | 169.1 | 29.1 | -33 | 0 | 0 | 0 | 106.7 | F192 | P190-F192 HydrophobicContact CB-CD2 3.82Å; P190-F192 HydrophobicContact CB-CE2 3.54Å; P190-F192 HydrophobicContact CB-CZ 4.26Å; P190-F192 HydrophobicContact CG-CE2 4.28Å; P190-F192 PolarHBondContact O-N 2.8Å | ||
| 191 | T | 61.2 | Low | 65.7 | Low | 119 Ų | 119 | 111.3 Ų | 111.3 | 73% | 0.73 | 57% | 0.572 | S | S | * | * | trans | -75.4 | 70.9 | 174.2 | -45.7 | 0 | 0 | 0 | 0 | 106 | L189 Q193 | L189-T191 PolarHBondContact O-N 2.99Å; L189-T191 PolarHBondContact O-OG1 3.43Å; T191-Q193 PolarHBondContact O-N 3.25Å | ||
| 192 | F | 67.7 | Low | 67.5 | Low | 169 Ų | 169 | 109.9 Ų | 109.9 | 74% | 0.741 | 55% | 0.554 | S | S | * | * | trans | -60.4 | 98.6 | 164.9 | -70.1 | -71.5 | 0 | 0 | 0 | 105.8 | P190 L194 | P190-F192 HydrophobicContact CB-CD2 3.82Å; P190-F192 HydrophobicContact CB-CE2 3.54Å; P190-F192 HydrophobicContact CB-CZ 4.26Å; P190-F192 HydrophobicContact CG-CE2 4.28Å; P190-F192 PolarHBondContact O-N 2.8Å; F192-L194 PolarHBondContact O-N 3.23Å | ||
| 193 | Q | 68.1 | Low | 69.6 | Low | 45 Ų | 45 | 110.3 Ų | 110.3 | 21% | 0.21 | 56% | 0.557 | C | S | . | * | trans | -70.6 | 102.3 | 176.3 | -160 | -167.8 | -25.3 | 0 | 0 | 107.1 | T191 G195 P196 R251 | T191-Q193 PolarHBondContact O-N 3.25Å; Q193-G195 WeakPolarHBondContact CG-O 3.43Å; Q193-G195 PolarHBondContact NE2-O 2.94Å; Q193-G195 PolarHBondContact O-N 3.34Å; Q193-P196 VanDerWaalsContact NE2-C 3.26Å; Q193-R251 PolarHBondContact O-NH1 3.5Å | ||
| 194 | L | 75 | Confident | 71.6 | Confident | 143 Ų | 143 | 102.4 Ų | 102.4 | 75% | 0.749 | 53% | 0.534 | S | S | * | . | trans | -71 | -18.1 | -176.6 | -66 | 173.6 | 0 | 0 | 0 | 113.1 | F192 | F192-L194 PolarHBondContact O-N 3.23Š| ||
| 195 | G | 75.7 | Confident | 73.6 | Confident | 15 Ų | 15 | 95.7 Ų | 95.7 | 16% | 0.155 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -136.6 | 164.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q193 Y303 | Q193-G195 WeakPolarHBondContact CG-O 3.43Å; Q193-G195 PolarHBondContact NE2-O 2.94Å; Q193-G195 PolarHBondContact O-N 3.34Å; G195-Y303 VanDerWaalsContact C-CZ 3.45Å; G195-Y303 PolarHBondContact O-OH 3.08Å; G195-Y303 VanDerWaalsContact O-OH 3.07Å |
| 196 | P | 80.1 | Confident | 75.6 | Confident | 18 Ų | 18 | 92.9 Ų | 92.9 | 12% | 0.117 | 48% | 0.479 | C | S | . | . | trans | -61.4 | 151.4 | 177.9 | 26.6 | -32.9 | 0 | 0 | 0 | 111.7 | Q193 E198 Y252 Y280 Y303 | Q193-P196 VanDerWaalsContact NE2-C 3.26Å; P196-E198 VanDerWaalsContact C-N 3.32Å; P196-E198 WeakPolarHBondContact CB-O 3.46Å; P196-Y252 HydrophobicContact CB-CE2 4.2Å; P196-Y252 WeakPolarHBondContact CB-OH 3.48Å; P196-Y252 WeakPolarHBondContact CG-OH 3.45Å; P196-Y280 VanDerWaalsContact CD-CE1 3.42Å; P196-Y280 HydrophobicContact CG-CD1 3.52Å; P196-Y280 HydrophobicContact CG-CE1 4.13Å; P196-Y280 HydrophobicContact CG-CG 4.25Å; P196-Y303 HydrophobicContact CB-CD2 3.88Å; P196-Y303 HydrophobicContact CB-CE2 3.53Å; P196-Y303 HydrophobicContact CG-CD2 4.17Å; P196-Y303 HydrophobicContact CG-CE2 4.14Å; P196-Y303 VanDerWaalsContact N-CZ 3.32Å | ||
| 197 | K | 78.8 | Confident | 77.4 | Confident | 164 Ų | 164 | 91 Ų | 91 | 71% | 0.713 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -69.3 | -41.3 | 171.8 | -68.5 | -173.3 | 178.5 | 177.9 | 0 | 109.6 | ||
| 198 | E | 80.3 | Confident | 79.2 | Confident | 147 Ų | 147 | 92.3 Ų | 92.3 | 69% | 0.687 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -130.5 | 130.8 | -179.2 | -139.6 | 175.1 | -176.8 | 0 | 0 | 109.5 | P196 Y252 | P196-E198 VanDerWaalsContact C-N 3.32Å; P196-E198 WeakPolarHBondContact CB-O 3.46Å; E198-Y252 PolarHBondContact O-OH 3.27Å; E198-Y252 VanDerWaalsContact O-OH 3.07Å |
| 199 | I | 84 | Confident | 81.1 | Confident | 98 Ų | 98 | 83.3 Ų | 83.3 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | trans | -69.2 | 134.7 | 174.9 | -60.7 | 171.9 | 0 | 0 | 0 | 107.4 | N201 | I199-N201 PolarHBondContact O-N 3.09Å; I199-N201 VanDerWaalsContact O-N 3.09Å | ||
| 200 | F | 84.2 | Confident | 82.8 | Confident | 12 Ų | 12 | 80.2 Ų | 80.2 | 5% | 0.053 | 42% | 0.415 | C | S | . | . | trans | -61.2 | 116.8 | -178.8 | -170.1 | -82.1 | 0 | 0 | 0 | 111.3 | I202 I205 L244 H247 Y252 Y254 I301 | F200-I202 HydrophobicContact CD1-CG1 4.44Å; F200-I202 PolarHBondContact O-N 2.91Å; F200-I205 HydrophobicContact CE1-CG2 3.67Å; F200-I205 HydrophobicContact CZ-CD1 4.4Å; F200-I205 HydrophobicContact CZ-CG2 3.99Å; F200-L244 HydrophobicContact CE1-CD2 4.5Å; F200-L244 HydrophobicContact CZ-CD2 3.99Å; F200-H247 AromaticContact CZ-ND1 3.99Å; F200-Y252 HydrophobicContact CB-CE1 4.49Å; F200-Y252 PolarHBondContact N-OH 3.19Å; F200-Y254 HydrophobicContact CE2-CE1 4.05Å; F200-I301 HydrophobicContact CB-CG2 4.25Å; F200-I301 HydrophobicContact CD1-CD1 3.43Å; F200-I301 VanDerWaalsContact CD1-CD1 3.43Å; F200-I301 HydrophobicContact CD1-CG1 4.47Å; F200-I301 HydrophobicContact CD2-CG2 4.23Å; F200-I301 HydrophobicContact CE1-CD1 3.39Å; F200-I301 HydrophobicContact CE1-CG1 4.42Å; F200-I301 HydrophobicContact CG-CD1 4.07Å; F200-I301 HydrophobicContact CG-CG2 4.11Å; F200-I301 HydrophobicContact CZ-CD1 4.01Å | ||
| 201 | N | 86.7 | Confident | 84.5 | Confident | 89 Ų | 89 | 82 Ų | 82 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | trans | -79.6 | 105.8 | 178.4 | -170 | -7 | 0 | 0 | 0 | 110.6 | I199 S203 S204 | I199-N201 PolarHBondContact O-N 3.09Å; I199-N201 VanDerWaalsContact O-N 3.09Å; N201-S203 VanDerWaalsContact C-N 3.31Å; N201-S203 WeakPolarHBondContact OD1-CB 3.17Å; N201-S203 PolarHBondContact OD1-N 3.45Å; N201-S204 PolarHBondContact O-OG 3.29Å; N201-S204 VanDerWaalsContact O-OG 3.1Å | ||
| 202 | I | 90.7 | Very high | 86.1 | Confident | 39 Ų | 39 | 77.2 Ų | 77.2 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.7 | -34.2 | 177.5 | -58.5 | 175.4 | 0 | 0 | 0 | 111.2 | F200 S204 I205 K206 R282 F284 | F200-I202 HydrophobicContact CD1-CG1 4.44Å; F200-I202 PolarHBondContact O-N 2.91Å; I202-S204 VanDerWaalsContact C-N 3.25Å; I202-S204 PolarHBondContact O-N 3.43Å; I202-I205 WeakPolarHBondContact O-CG2 3.48Å; I202-I205 PolarHBondContact O-N 3.27Å; I202-K206 HydrophobicContact CG2-CB 4.18Å; I202-K206 VanDerWaalsContact O-CB 3.31Å; I202-K206 WeakPolarHBondContact O-CB 3.36Å; I202-K206 PolarHBondContact O-N 3.42Å; I202-R282 HydrophobicContact CD1-CB 3.83Å; I202-R282 HydrophobicContact CD1-CG 4.23Å; I202-R282 HydrophobicContact CG1-CB 4.09Å; I202-R282 HydrophobicContact CG1-CG 4.4Å; I202-F284 HydrophobicContact CG1-CD1 4.43Å; I202-F284 HydrophobicContact CG2-CB 3.91Å; I202-F284 HydrophobicContact CG2-CD1 3.62Å; I202-F284 HydrophobicContact CG2-CE1 4.37Å; I202-F284 HydrophobicContact CG2-CG 3.88Å |
| 203 | S | 90.5 | Very high | 87.4 | Confident | 95 Ų | 95 | 69.1 Ų | 69.1 | 66% | 0.664 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.9 | -28.3 | -168.7 | -55.7 | 0 | 0 | 0 | 0 | 113.2 | N201 P207 | N201-S203 VanDerWaalsContact C-N 3.31Å; N201-S203 WeakPolarHBondContact OD1-CB 3.17Å; N201-S203 PolarHBondContact OD1-N 3.45Å; S203-P207 WeakPolarHBondContact O-CD 3.31Å |
| 204 | S | 89.4 | Confident | 88.6 | Confident | 50 Ų | 50 | 71.4 Ų | 71.4 | 35% | 0.35 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -78.5 | -37 | 177.5 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | N201 I202 H247 | N201-S204 PolarHBondContact O-OG 3.29Å; N201-S204 VanDerWaalsContact O-OG 3.1Å; I202-S204 VanDerWaalsContact C-N 3.25Å; I202-S204 PolarHBondContact O-N 3.43Å; S204-H247 PolarHBondContact OG-CE1 3.34Å; S204-H247 PolarHBondContact OG-NE2 2.94Å |
| 205 | I | 92.8 | Very high | 89.5 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -90.3 | -31.5 | -173.9 | -167.9 | 142.9 | 0 | 0 | 0 | 113.5 | F200 I202 R208 I209 M243 L244 H247 F284 | F200-I205 HydrophobicContact CE1-CG2 3.67Å; F200-I205 HydrophobicContact CZ-CD1 4.4Å; F200-I205 HydrophobicContact CZ-CG2 3.99Å; I202-I205 WeakPolarHBondContact O-CG2 3.48Å; I202-I205 PolarHBondContact O-N 3.27Å; I205-R208 WeakPolarHBondContact O-CB 3.22Å; I205-R208 PolarHBondContact O-N 3.33Å; I205-I209 HydrophobicContact CG1-CD1 3.74Å; I205-I209 HydrophobicContact CG1-CG1 4.11Å; I205-I209 WeakPolarHBondContact O-CG1 3.31Å; I205-I209 PolarHBondContact O-N 2.81Å; I205-M243 HydrophobicContact CD1-CB 4.46Å; I205-M243 WeakPolarHBondContact CD1-O 3.24Å; I205-L244 HydrophobicContact CD1-CD2 3.9Å; I205-L244 HydrophobicContact CD1-CG 4.46Å; I205-L244 HydrophobicContact CG1-CD2 4.37Å; I205-L244 HydrophobicContact CG2-CD2 4.49Å; I205-H247 HydrophobicContact CD1-CB 3.57Å; I205-F284 HydrophobicContact CG2-CE1 4.4Å; I205-F284 HydrophobicContact CG2-CZ 4.45Å |
| 206 | K | 94.1 | Very high | 90.3 | Very high | 81 Ų | 81 | 70.6 Ų | 70.6 | 35% | 0.352 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -52.2 | -54.5 | 179.3 | -178 | -179.2 | 171.2 | -175.1 | 0 | 113 | I202 R208 I209 E210 I286 | I202-K206 HydrophobicContact CG2-CB 4.18Å; I202-K206 VanDerWaalsContact O-CB 3.31Å; I202-K206 WeakPolarHBondContact O-CB 3.36Å; I202-K206 PolarHBondContact O-N 3.42Å; K206-R208 PolarHBondContact O-N 3.42Å; K206-I209 PolarHBondContact O-N 3.38Å; K206-I209 VanDerWaalsContact O-N 3.13Å; K206-E210 WeakPolarHBondContact CE-OE1 3.24Å; K206-E210 IonicContact NZ-OE1 3.22Å; K206-E210 WeakPolarHBondContact O-CG 3.28Å; K206-E210 PolarHBondContact O-N 3.42Å; K206-I286 HydrophobicContact CG-CD1 4.31Å; K206-I286 HydrophobicContact CG-CG1 4.44Å |
| 207 | P | 94.8 | Very high | 90.8 | Very high | 68 Ų | 68 | 70.1 Ų | 70.1 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.7 | -31.7 | -178.6 | 25 | -35.1 | 0 | 0 | 0 | 112.6 | S203 E210 Q211 | S203-P207 WeakPolarHBondContact O-CD 3.31Å; P207-E210 PolarHBondContact O-N 3.23Å; P207-Q211 WeakPolarHBondContact O-CB 3.33Å; P207-Q211 PolarHBondContact O-N 2.82Å |
| 208 | R | 93.9 | Very high | 91.4 | Very high | 164 Ų | 164 | 69.2 Ų | 69.2 | 62% | 0.619 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -68.6 | -36.6 | 177.6 | -160.8 | -177.9 | 171.9 | 168.5 | -0.7 | 112 | I205 K206 L212 M243 | I205-R208 WeakPolarHBondContact O-CB 3.22Å; I205-R208 PolarHBondContact O-N 3.33Å; K206-R208 PolarHBondContact O-N 3.42Å; R208-L212 WeakPolarHBondContact O-CB 3.31Å; R208-L212 PolarHBondContact O-N 3.12Å; R208-L212 VanDerWaalsContact O-N 3.15Å; R208-M243 HydrophobicContact CB-CE 3.9Å; R208-M243 HydrophobicContact CG-CE 3.46Å; R208-M243 VanDerWaalsContact CG-CE 3.46Å |
| 209 | I | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -72.8 | -38.4 | 174.6 | -65.1 | 168.2 | 0 | 0 | 0 | 110.5 | I205 K206 L212 L213 I240 M243 L244 F284 I286 | I205-I209 HydrophobicContact CG1-CD1 3.74Å; I205-I209 HydrophobicContact CG1-CG1 4.11Å; I205-I209 WeakPolarHBondContact O-CG1 3.31Å; I205-I209 PolarHBondContact O-N 2.81Å; K206-I209 PolarHBondContact O-N 3.38Å; K206-I209 VanDerWaalsContact O-N 3.13Å; I209-L212 PolarHBondContact O-N 3.13Å; I209-L213 WeakPolarHBondContact O-CB 3.38Å; I209-L213 PolarHBondContact O-N 3.36Å; I209-I240 HydrophobicContact CD1-CG2 3.99Å; I209-I240 HydrophobicContact CG1-CG2 4.44Å; I209-I240 HydrophobicContact CG2-CD1 4Å; I209-I240 HydrophobicContact CG2-CG1 4.12Å; I209-I240 HydrophobicContact CG2-CG2 4.38Å; I209-M243 HydrophobicContact CG1-CE 3.98Å; I209-L244 HydrophobicContact CD1-CD2 4.36Å; I209-F284 HydrophobicContact CD1-CE2 3.72Å; I209-F284 HydrophobicContact CD1-CZ 3.52Å; I209-I286 HydrophobicContact CB-CD1 3.79Å; I209-I286 HydrophobicContact CG2-CD1 3.5Å; I209-I286 VanDerWaalsContact CG2-CD1 3.5Å |
| 210 | E | 95.4 | Very high | 92.1 | Very high | 67 Ų | 67 | 63.1 Ų | 63.1 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 174.3 | -74 | 172.7 | 167.3 | 0 | 0 | 111.2 | K206 P207 L212 L213 E214 I286 | K206-E210 WeakPolarHBondContact CE-OE1 3.24Å; K206-E210 IonicContact NZ-OE1 3.22Å; K206-E210 WeakPolarHBondContact O-CG 3.28Å; K206-E210 PolarHBondContact O-N 3.42Å; P207-E210 PolarHBondContact O-N 3.23Å; E210-L212 VanDerWaalsContact C-N 3.32Å; E210-L212 PolarHBondContact O-N 2.82Å; E210-L213 WeakPolarHBondContact O-CB 3.46Å; E210-L213 PolarHBondContact O-N 2.72Å; E210-L213 VanDerWaalsContact O-N 3.1Å; E210-E214 WeakPolarHBondContact O-CB 3.31Å; E210-E214 PolarHBondContact O-N 2.83Å; E210-I286 HydrophobicContact CG-CB 4.44Å; E210-I286 HydrophobicContact CG-CD1 3.78Å; E210-I286 HydrophobicContact CG-CG1 3.88Å; E210-I286 HydrophobicContact CG-CG2 3.67Å |
| 211 | Q | 95.3 | Very high | 92.3 | Very high | 135 Ų | 135 | 64.8 Ų | 64.8 | 63% | 0.631 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.2 | -40.7 | 176.4 | -173 | -176.1 | 6.8 | 0 | 0 | 112.5 | P207 L213 E214 S215 | P207-Q211 WeakPolarHBondContact O-CB 3.33Å; P207-Q211 PolarHBondContact O-N 2.82Å; Q211-L213 VanDerWaalsContact C-N 3.33Å; Q211-E214 PolarHBondContact O-N 2.87Å; Q211-S215 PolarHBondContact O-N 3.46Å; Q211-S215 PolarHBondContact O-OG 2.89Å |
| 212 | L | 95 | Very high | 92.3 | Very high | 19 Ų | 19 | 67.6 Ų | 67.6 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 174.8 | -178.3 | 149.8 | 0 | 0 | 0 | 110.9 | R208 I209 E210 E214 S215 R216 L236 E239 I240 M243 | R208-L212 WeakPolarHBondContact O-CB 3.31Å; R208-L212 PolarHBondContact O-N 3.12Å; R208-L212 VanDerWaalsContact O-N 3.15Å; I209-L212 PolarHBondContact O-N 3.13Å; E210-L212 VanDerWaalsContact C-N 3.32Å; E210-L212 PolarHBondContact O-N 2.82Å; L212-E214 VanDerWaalsContact C-N 3.34Å; L212-E214 PolarHBondContact O-N 2.99Å; L212-S215 PolarHBondContact O-N 3.43Å; L212-S215 PolarHBondContact O-OG 3.31Å; L212-R216 HydrophobicContact CD2-CG 4.08Å; L212-R216 HydrophobicContact CG-CG 4.49Å; L212-R216 WeakPolarHBondContact O-CB 3.32Å; L212-R216 WeakPolarHBondContact O-CG 3.47Å; L212-R216 PolarHBondContact O-N 2.95Å; L212-L236 HydrophobicContact CD2-CD2 3.67Å; L212-E239 HydrophobicContact CD1-CG 3.75Å; L212-I240 HydrophobicContact CD2-CG1 4.43Å; L212-M243 HydrophobicContact CD1-SD 3.41Å; L212-M243 WeakPolarHBondContact CD1-SD 3.49Å |
| 213 | L | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | -179.3 | -173.7 | 58.1 | 0 | 0 | 0 | 111.8 | I209 E210 Q211 R216 I217 L236 I286 Q288 I295 V297 | I209-L213 WeakPolarHBondContact O-CB 3.38Å; I209-L213 PolarHBondContact O-N 3.36Å; E210-L213 WeakPolarHBondContact O-CB 3.46Å; E210-L213 PolarHBondContact O-N 2.72Å; E210-L213 VanDerWaalsContact O-N 3.1Å; Q211-L213 VanDerWaalsContact C-N 3.33Å; L213-R216 PolarHBondContact O-N 3.43Å; L213-I217 HydrophobicContact CD1-CD1 4.06Å; L213-I217 HydrophobicContact CG-CD1 3.94Å; L213-I217 WeakPolarHBondContact O-CB 3.41Å; L213-I217 WeakPolarHBondContact O-CG1 3.17Å; L213-I217 PolarHBondContact O-N 2.89Å; L213-L236 HydrophobicContact CD1-CD1 4.13Å; L213-I286 HydrophobicContact CD2-CG2 3.76Å; L213-Q288 HydrophobicContact CD2-CB 3.54Å; L213-Q288 HydrophobicContact CG-CB 3.84Å; L213-Q288 HydrophobicContact CG-CG 4.44Å; L213-I295 HydrophobicContact CD1-CB 3.99Å; L213-I295 HydrophobicContact CD1-CD1 3.97Å; L213-I295 HydrophobicContact CD1-CG2 3.64Å; L213-I295 HydrophobicContact CD2-CG2 4.45Å; L213-V297 HydrophobicContact CD2-CG2 4.38Å |
| 214 | E | 94.3 | Very high | 92.4 | Very high | 92 Ų | 92 | 70.8 Ų | 70.8 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.4 | -51.8 | 175.8 | -168.5 | 164.7 | -141.3 | 0 | 0 | 111.5 | E210 Q211 L212 R216 I217 E218 | E210-E214 WeakPolarHBondContact O-CB 3.31Å; E210-E214 PolarHBondContact O-N 2.83Å; Q211-E214 PolarHBondContact O-N 2.87Å; L212-E214 VanDerWaalsContact C-N 3.34Å; L212-E214 PolarHBondContact O-N 2.99Å; E214-R216 PolarHBondContact O-N 3.01Å; E214-I217 PolarHBondContact O-N 3.44Å; E214-E218 WeakPolarHBondContact O-CG 3.48Å; E214-E218 PolarHBondContact O-N 2.92Å |
| 215 | S | 93.9 | Very high | 92.6 | Very high | 59 Ų | 59 | 71.9 Ų | 71.9 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.3 | -34.1 | 176.8 | 70.7 | 0 | 0 | 0 | 0 | 113.3 | Q211 L212 S219 | Q211-S215 PolarHBondContact O-N 3.46Å; Q211-S215 PolarHBondContact O-OG 2.89Å; L212-S215 PolarHBondContact O-N 3.43Å; L212-S215 PolarHBondContact O-OG 3.31Å; S215-S219 PolarHBondContact O-N 2.93Å; S215-S219 PolarHBondContact O-OG 3.14Å |
| 216 | R | 92.3 | Very high | 92.6 | Very high | 83 Ų | 83 | 81.2 Ų | 81.2 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -74.4 | -31.3 | 178 | -69.4 | -76.3 | -171 | -150.9 | -3.6 | 111.6 | L212 L213 E214 S219 L220 L236 E239 | L212-R216 HydrophobicContact CD2-CG 4.08Å; L212-R216 HydrophobicContact CG-CG 4.49Å; L212-R216 WeakPolarHBondContact O-CB 3.32Å; L212-R216 WeakPolarHBondContact O-CG 3.47Å; L212-R216 PolarHBondContact O-N 2.95Å; L213-R216 PolarHBondContact O-N 3.43Å; E214-R216 PolarHBondContact O-N 3.01Å; R216-S219 WeakPolarHBondContact CA-OG 3.39Å; R216-S219 PolarHBondContact O-OG 3.22Å; R216-S219 VanDerWaalsContact O-OG 3.09Å; R216-L220 VanDerWaalsContact O-CG 3.28Å; R216-L220 WeakPolarHBondContact O-CG 3.16Å; R216-L236 HydrophobicContact CB-CD2 3.97Å; R216-L236 HydrophobicContact CG-CD2 3.68Å; R216-E239 IonicContact CZ-OE1 3.97Å; R216-E239 IonicContact CZ-OE2 3.41Å; R216-E239 IonicContact NE-OE2 2.82Å; R216-E239 PolarHBondContact NE-OE2 3.15Å; R216-E239 VanDerWaalsContact NH2-CD 3.27Å; R216-E239 IonicContact NH2-OE1 3.85Å; R216-E239 PolarHBondContact NH2-OE1 2.95Å; R216-E239 IonicContact NH2-OE2 2.94Å; R216-E239 PolarHBondContact NH2-OE2 3.2Å |
| 217 | I | 91.1 | Very high | 92.5 | Very high | 8 Ų | 8 | 86.1 Ų | 86.1 | 4% | 0.041 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -77.3 | -37.1 | 177.7 | -80.2 | 167.2 | 0 | 0 | 0 | 111.8 | L213 E214 S219 L220 Q288 N290 I295 | L213-I217 HydrophobicContact CD1-CD1 4.06Å; L213-I217 HydrophobicContact CG-CD1 3.94Å; L213-I217 WeakPolarHBondContact O-CB 3.41Å; L213-I217 WeakPolarHBondContact O-CG1 3.17Å; L213-I217 PolarHBondContact O-N 2.89Å; E214-I217 PolarHBondContact O-N 3.44Å; I217-S219 VanDerWaalsContact C-N 3.3Å; I217-S219 PolarHBondContact O-N 3.49Å; I217-L220 PolarHBondContact O-N 3.35Å; I217-Q288 HydrophobicContact CD1-CB 3.44Å; I217-Q288 VanDerWaalsContact CD1-CB 3.44Å; I217-Q288 HydrophobicContact CD1-CG 3.28Å; I217-N290 HydrophobicContact CG2-CB 3.55Å; I217-N290 VanDerWaalsContact CG2-ND2 3.31Å; I217-N290 WeakPolarHBondContact CG2-ND2 3.1Å; I217-I295 HydrophobicContact CD1-CB 4.23Å; I217-I295 HydrophobicContact CD1-CD1 3.75Å; I217-I295 HydrophobicContact CD1-CG1 3.99Å; I217-I295 HydrophobicContact CG1-CD1 3.52Å; I217-I295 HydrophobicContact CG1-CG1 4.21Å |
| 218 | E | 89.9 | Confident | 92.4 | Very high | 144 Ų | 144 | 87.4 Ų | 87.4 | 67% | 0.673 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -66.8 | -32.3 | 175.8 | -70.4 | 177.5 | 170.4 | 0 | 0 | 112.5 | E214 L220 | E214-E218 WeakPolarHBondContact O-CG 3.48Å; E214-E218 PolarHBondContact O-N 2.92Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 2.82Å |
| 219 | S | 90 | Very high | 92.3 | Very high | 86 Ų | 86 | 79.7 Ų | 79.7 | 60% | 0.601 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -3.5 | 178 | 53.4 | 0 | 0 | 0 | 0 | 114.5 | S215 R216 I217 | S215-S219 PolarHBondContact O-N 2.93Å; S215-S219 PolarHBondContact O-OG 3.14Å; R216-S219 WeakPolarHBondContact CA-OG 3.39Å; R216-S219 PolarHBondContact O-OG 3.22Å; R216-S219 VanDerWaalsContact O-OG 3.09Å; I217-S219 VanDerWaalsContact C-N 3.3Å; I217-S219 PolarHBondContact O-N 3.49Å |
| 220 | L | 89.2 | Confident | 92.2 | Very high | 32 Ų | 32 | 84.7 Ų | 84.7 | 17% | 0.168 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -82.1 | 149.2 | 179.6 | -73.9 | 165.2 | 0 | 0 | 0 | 112.4 | R216 I217 E218 L232 Y293 I295 | R216-L220 VanDerWaalsContact O-CG 3.28Å; R216-L220 WeakPolarHBondContact O-CG 3.16Å; I217-L220 PolarHBondContact O-N 3.35Å; E218-L220 VanDerWaalsContact C-N 3.28Å; E218-L220 PolarHBondContact O-N 2.82Å; L220-L232 HydrophobicContact CD1-CD2 3.55Å; L220-L232 HydrophobicContact CD2-CD1 4.4Å; L220-L232 HydrophobicContact CD2-CD2 3.96Å; L220-L232 HydrophobicContact CG-CD2 4.3Å; L220-Y293 HydrophobicContact CB-CD2 4.4Å; L220-Y293 HydrophobicContact CB-CE2 4.16Å; L220-Y293 HydrophobicContact CD1-CD1 4.16Å; L220-Y293 HydrophobicContact CD1-CD2 4.32Å; L220-Y293 HydrophobicContact CD1-CE1 4.37Å; L220-Y293 HydrophobicContact CD1-CG 4.13Å; L220-I295 HydrophobicContact CD1-CD1 4.47Å |
| 221 | P | 88.6 | Confident | 92.1 | Very high | 46 Ų | 46 | 90.6 Ų | 90.6 | 30% | 0.299 | 43% | 0.43 | S | S | . | . | trans | -58.2 | 150.6 | 172.5 | -20.7 | 31.8 | 0 | 0 | 0 | 111.9 | L223 K228 Y293 | P221-L223 PolarHBondContact O-N 3.05Å; P221-K228 HydrophobicContact CG-CD 4.18Å; P221-Y293 VanDerWaalsContact O-CE2 3.24Å; P221-Y293 WeakPolarHBondContact O-CE2 3.47Å | ||
| 222 | L | 88 | Confident | 92.1 | Very high | 148 Ų | 148 | 85.2 Ų | 85.2 | 78% | 0.775 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -61.7 | -26 | 173.2 | -78.9 | 136 | 0 | 0 | 0 | 113 | S292 | L222-S292 WeakPolarHBondContact O-CB 3.32Å; L222-S292 PolarHBondContact O-OG 2.88Å |
| 223 | L | 90.8 | Very high | 92 | Very high | 137 Ų | 137 | 85.7 Ų | 85.7 | 72% | 0.717 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -95.4 | 139 | 177.9 | -64.5 | 175 | 0 | 0 | 0 | 110.9 | P221 E225 Y293 | P221-L223 PolarHBondContact O-N 3.05Å; L223-E225 PolarHBondContact O-N 2.81Å; L223-Y293 PolarHBondContact O-OH 3.2Å |
| 224 | Y | 92.5 | Very high | 92.1 | Very high | 64 Ų | 64 | 90.2 Ų | 90.2 | 25% | 0.251 | 43% | 0.433 | S | S | . | . | trans | -72.5 | 117.3 | 177.2 | -179 | -94.2 | 0 | 0 | 0 | 110.9 | R226 A229 Q262 Y293 | Y224-R226 HydrophobicContact CE1-CB 4.27Å; Y224-A229 HydrophobicContact CE2-CB 3.79Å; Y224-Q262 HydrophobicContact CD1-CB 3.87Å; Y224-Q262 HydrophobicContact CD1-CG 4.02Å; Y224-Q262 HydrophobicContact CD2-CB 3.72Å; Y224-Q262 HydrophobicContact CD2-CG 4.04Å; Y224-Q262 HydrophobicContact CE1-CB 4.03Å; Y224-Q262 HydrophobicContact CE2-CB 3.89Å; Y224-Q262 HydrophobicContact CG-CB 3.71Å; Y224-Q262 HydrophobicContact CG-CG 3.68Å; Y224-Y293 WeakPolarHBondContact CA-OH 3.18Å; Y224-Y293 AromaticContact CD2-CD1 3.56Å; Y224-Y293 HydrophobicContact CD2-CD1 3.56Å; Y224-Y293 AromaticContact CD2-CE1 3.36Å; Y224-Y293 HydrophobicContact CD2-CE1 3.36Å; Y224-Y293 HydrophobicContact CD2-CG 4.28Å; Y224-Y293 AromaticContact CD2-CZ 3.91Å; Y224-Y293 AromaticContact CE2-CD1 3.85Å; Y224-Y293 HydrophobicContact CE2-CD1 3.85Å; Y224-Y293 AromaticContact CE2-CE1 3.77Å; Y224-Y293 HydrophobicContact CE2-CE1 3.77Å; Y224-Y293 HydrophobicContact CG-CE1 4.31Å | ||
| 225 | E | 92.8 | Very high | 92.1 | Very high | 74 Ų | 74 | 88.7 Ų | 88.7 | 35% | 0.346 | 43% | 0.43 | S | S | . | . | trans | -113.2 | 113.3 | 174.7 | -74 | -178.5 | -137.7 | 0 | 0 | 110.8 | L223 F227 K228 A229 Y293 | L223-E225 PolarHBondContact O-N 2.81Å; E225-F227 VanDerWaalsContact C-N 3.3Å; E225-F227 PolarHBondContact O-N 2.94Å; E225-K228 HydrophobicContact CB-CB 4.03Å; E225-K228 HydrophobicContact CB-CD 4.16Å; E225-K228 HydrophobicContact CB-CG 4.13Å; E225-K228 PolarHBondContact O-N 3.22Å; E225-K228 IonicContact OE1-NZ 2.74Å; E225-K228 PolarHBondContact OE1-NZ 3.31Å; E225-K228 WeakPolarHBondContact OE2-CD 3.36Å; E225-K228 WeakPolarHBondContact OE2-CE 3.42Å; E225-K228 WeakPolarHBondContact OE2-CG 3.34Å; E225-K228 IonicContact OE2-NZ 2.93Å; E225-K228 PolarHBondContact OE2-NZ 3.32Å; E225-A229 WeakPolarHBondContact O-CB 3.49Å; E225-A229 PolarHBondContact O-N 3.47Å; E225-Y293 PolarHBondContact N-OH 3.39Å; E225-Y293 VanDerWaalsContact N-OH 3.15Å | ||
| 226 | R | 92.5 | Very high | 92.2 | Very high | 198 Ų | 198 | 85.9 Ų | 85.9 | 75% | 0.747 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55 | -41.1 | -176.9 | -175.8 | -179.6 | -179.6 | -177.4 | 1.3 | 113.7 | Y224 A229 N230 | Y224-R226 HydrophobicContact CE1-CB 4.27Å; R226-A229 PolarHBondContact O-N 3Å; R226-N230 PolarHBondContact O-N 2.96Å; R226-N230 VanDerWaalsContact O-N 3.12Å |
| 227 | F | 92.7 | Very high | 92.4 | Very high | 185 Ų | 185 | 83.4 Ų | 83.4 | 81% | 0.811 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -69.6 | -41.9 | -179 | -66.1 | -75 | 0 | 0 | 0 | 112.1 | E225 N230 R231 | E225-F227 VanDerWaalsContact C-N 3.3Å; E225-F227 PolarHBondContact O-N 2.94Å; F227-N230 PolarHBondContact O-N 2.96Å; F227-R231 PolarHBondContact O-N 3.27Å |
| 228 | K | 91.5 | Very high | 92.6 | Very high | 94 Ų | 94 | 87.8 Ų | 87.8 | 41% | 0.409 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 174.4 | -69.7 | -174.6 | -178.1 | 153.1 | 0 | 111.2 | P221 E225 N230 R231 L232 | P221-K228 HydrophobicContact CG-CD 4.18Å; E225-K228 HydrophobicContact CB-CB 4.03Å; E225-K228 HydrophobicContact CB-CD 4.16Å; E225-K228 HydrophobicContact CB-CG 4.13Å; E225-K228 PolarHBondContact O-N 3.22Å; E225-K228 IonicContact OE1-NZ 2.74Å; E225-K228 PolarHBondContact OE1-NZ 3.31Å; E225-K228 WeakPolarHBondContact OE2-CD 3.36Å; E225-K228 WeakPolarHBondContact OE2-CE 3.42Å; E225-K228 WeakPolarHBondContact OE2-CG 3.34Å; E225-K228 IonicContact OE2-NZ 2.93Å; E225-K228 PolarHBondContact OE2-NZ 3.32Å; K228-N230 PolarHBondContact O-N 3.08Å; K228-R231 PolarHBondContact O-N 3.23Å; K228-L232 VanDerWaalsContact O-CB 3.22Å; K228-L232 WeakPolarHBondContact O-CB 3.42Å; K228-L232 PolarHBondContact O-N 3.24Å |
| 229 | A | 92.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 83.7 Ų | 83.7 | 3% | 0.025 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.1 | -42 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y224 E225 R226 L232 C233 V260 Y293 | Y224-A229 HydrophobicContact CE2-CB 3.79Å; E225-A229 WeakPolarHBondContact O-CB 3.49Å; E225-A229 PolarHBondContact O-N 3.47Å; R226-A229 PolarHBondContact O-N 3Å; A229-L232 PolarHBondContact O-N 3.24Å; A229-C233 WeakPolarHBondContact O-CB 3.43Å; A229-C233 PolarHBondContact O-N 2.81Å; A229-V260 HydrophobicContact CB-CG1 3.87Å; A229-Y293 HydrophobicContact CB-CE1 4.42Å |
| 230 | N | 93.8 | Very high | 93.2 | Very high | 104 Ų | 104 | 79.6 Ų | 79.6 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.9 | -48.3 | 176.4 | -172 | -22 | 0 | 0 | 0 | 111.4 | R226 F227 K228 L232 C233 I234 | R226-N230 PolarHBondContact O-N 2.96Å; R226-N230 VanDerWaalsContact O-N 3.12Å; F227-N230 PolarHBondContact O-N 2.96Å; K228-N230 PolarHBondContact O-N 3.08Å; N230-L232 VanDerWaalsContact C-N 3.31Å; N230-L232 PolarHBondContact O-N 3.5Å; N230-C233 WeakPolarHBondContact O-CB 3.45Å; N230-C233 PolarHBondContact O-N 3.36Å; N230-I234 PolarHBondContact O-N 3.2Å |
| 231 | R | 93.4 | Very high | 93.5 | Very high | 192 Ų | 192 | 82.1 Ų | 82.1 | 73% | 0.725 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.9 | -43.3 | 176.6 | -174.7 | 175.7 | 175.7 | 178.9 | -1.6 | 111.7 | F227 K228 C233 I234 T235 | F227-R231 PolarHBondContact O-N 3.27Å; K228-R231 PolarHBondContact O-N 3.23Å; R231-C233 VanDerWaalsContact C-N 3.35Å; R231-C233 PolarHBondContact O-N 2.93Å; R231-I234 PolarHBondContact O-N 3.23Å; R231-T235 PolarHBondContact O-N 3.15Å; R231-T235 PolarHBondContact O-OG1 3.24Å |
| 232 | L | 93.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 82.7 Ų | 82.7 | 12% | 0.115 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.5 | -46.3 | 176 | -179.6 | 74.9 | 0 | 0 | 0 | 111.2 | L220 K228 A229 N230 I234 T235 L236 V260 I295 | L220-L232 HydrophobicContact CD1-CD2 3.55Å; L220-L232 HydrophobicContact CD2-CD1 4.4Å; L220-L232 HydrophobicContact CD2-CD2 3.96Å; L220-L232 HydrophobicContact CG-CD2 4.3Å; K228-L232 VanDerWaalsContact O-CB 3.22Å; K228-L232 WeakPolarHBondContact O-CB 3.42Å; K228-L232 PolarHBondContact O-N 3.24Å; A229-L232 PolarHBondContact O-N 3.24Å; N230-L232 VanDerWaalsContact C-N 3.31Å; N230-L232 PolarHBondContact O-N 3.5Å; L232-I234 VanDerWaalsContact C-N 3.31Å; L232-I234 PolarHBondContact O-N 3Å; L232-T235 PolarHBondContact O-N 2.86Å; L232-L236 HydrophobicContact CD1-CD1 4.06Å; L232-L236 HydrophobicContact CD1-CG 4.02Å; L232-L236 HydrophobicContact CD2-CD1 4.08Å; L232-L236 HydrophobicContact CG-CD1 3.7Å; L232-L236 HydrophobicContact CG-CG 4.04Å; L232-L236 VanDerWaalsContact O-CB 3.31Å; L232-L236 WeakPolarHBondContact O-CB 3.08Å; L232-L236 VanDerWaalsContact O-CG 3.31Å; L232-L236 WeakPolarHBondContact O-CG 3.38Å; L232-L236 PolarHBondContact O-N 2.92Å; L232-V260 HydrophobicContact CD2-CG1 4.25Å; L232-V260 HydrophobicContact CD2-CG2 4.3Å; L232-I295 HydrophobicContact CD2-CD1 3.89Å |
| 233 | C | 94.7 | Very high | 94 | Very high | 29 Ų | 29 | 77 Ų | 77 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.8 | -46.1 | 178.3 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | A229 N230 R231 T237 C258 V260 | A229-C233 WeakPolarHBondContact O-CB 3.43Å; A229-C233 PolarHBondContact O-N 2.81Å; N230-C233 WeakPolarHBondContact O-CB 3.45Å; N230-C233 PolarHBondContact O-N 3.36Å; R231-C233 VanDerWaalsContact C-N 3.35Å; R231-C233 PolarHBondContact O-N 2.93Å; C233-T237 VanDerWaalsContact O-CB 3.31Å; C233-T237 WeakPolarHBondContact O-CB 3.45Å; C233-T237 PolarHBondContact O-N 3.43Å; C233-T237 PolarHBondContact O-OG1 3.32Å; C233-C258 PolarHBondContact SG-O 3.2Å; C233-C258 VanDerWaalsContact SG-O 3.32Å; C233-V260 HydrophobicContact CB-CG2 3.94Å |
| 234 | I | 95.3 | Very high | 94.2 | Very high | 95 Ų | 95 | 70.5 Ų | 70.5 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 177.8 | -62.5 | 168.8 | 0 | 0 | 0 | 111 | N230 R231 L232 T237 N238 | N230-I234 PolarHBondContact O-N 3.2Å; R231-I234 PolarHBondContact O-N 3.23Å; L232-I234 VanDerWaalsContact C-N 3.31Å; L232-I234 PolarHBondContact O-N 3Å; I234-T237 PolarHBondContact O-N 2.95Å; I234-N238 PolarHBondContact O-N 2.91Å; I234-N238 PolarHBondContact O-ND2 2.89Å |
| 235 | T | 95.2 | Very high | 94.2 | Very high | 60 Ų | 60 | 73.5 Ų | 73.5 | 37% | 0.368 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.9 | -50 | 179.6 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | R231 L232 T237 N238 E239 | R231-T235 PolarHBondContact O-N 3.15Å; R231-T235 PolarHBondContact O-OG1 3.24Å; L232-T235 PolarHBondContact O-N 2.86Å; T235-T237 VanDerWaalsContact C-N 3.35Å; T235-T237 PolarHBondContact O-N 3.38Å; T235-N238 PolarHBondContact O-N 3.1Å; T235-E239 WeakPolarHBondContact O-CB 3.43Å; T235-E239 PolarHBondContact O-N 2.9Å |
| 236 | L | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 177.5 | -75.1 | 177 | 0 | 0 | 0 | 111.5 | L212 L213 R216 L232 N238 E239 I240 I295 | L212-L236 HydrophobicContact CD2-CD2 3.67Å; L213-L236 HydrophobicContact CD1-CD1 4.13Å; R216-L236 HydrophobicContact CB-CD2 3.97Å; R216-L236 HydrophobicContact CG-CD2 3.68Å; L232-L236 HydrophobicContact CD1-CD1 4.06Å; L232-L236 HydrophobicContact CD1-CG 4.02Å; L232-L236 HydrophobicContact CD2-CD1 4.08Å; L232-L236 HydrophobicContact CG-CD1 3.7Å; L232-L236 HydrophobicContact CG-CG 4.04Å; L232-L236 VanDerWaalsContact O-CB 3.31Å; L232-L236 WeakPolarHBondContact O-CB 3.08Å; L232-L236 VanDerWaalsContact O-CG 3.31Å; L232-L236 WeakPolarHBondContact O-CG 3.38Å; L232-L236 PolarHBondContact O-N 2.92Å; L236-N238 VanDerWaalsContact C-N 3.31Å; L236-N238 PolarHBondContact O-N 2.93Å; L236-E239 PolarHBondContact O-N 3.08Å; L236-I240 WeakPolarHBondContact O-CB 3.13Å; L236-I240 WeakPolarHBondContact O-CG1 3.12Å; L236-I240 PolarHBondContact O-N 3.27Å; L236-I295 HydrophobicContact CD1-CD1 4.19Å; L236-I295 HydrophobicContact CD1-CG2 4.35Å |
| 237 | T | 96.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 69.1 Ų | 69.1 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 179.9 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | C233 I234 T235 K241 V256 C258 | C233-T237 VanDerWaalsContact O-CB 3.31Å; C233-T237 WeakPolarHBondContact O-CB 3.45Å; C233-T237 PolarHBondContact O-N 3.43Å; C233-T237 PolarHBondContact O-OG1 3.32Å; I234-T237 PolarHBondContact O-N 2.95Å; T235-T237 VanDerWaalsContact C-N 3.35Å; T235-T237 PolarHBondContact O-N 3.38Å; T237-K241 WeakPolarHBondContact O-CB 3.26Å; T237-K241 PolarHBondContact O-N 2.99Å; T237-V256 HydrophobicContact CG2-CB 4.06Å; T237-V256 HydrophobicContact CG2-CG1 4.09Å; T237-C258 VanDerWaalsContact OG1-CB 3.24Å; T237-C258 WeakPolarHBondContact OG1-CB 3.28Å |
| 238 | N | 96.3 | Very high | 93.4 | Very high | 99 Ų | 99 | 61.1 Ų | 61.1 | 53% | 0.529 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.9 | -40.9 | 179.3 | -72.8 | -29.5 | 0 | 0 | 0 | 112.4 | I234 T235 L236 K241 A242 | I234-N238 PolarHBondContact O-N 2.91Å; I234-N238 PolarHBondContact O-ND2 2.89Å; T235-N238 PolarHBondContact O-N 3.1Å; L236-N238 VanDerWaalsContact C-N 3.31Å; L236-N238 PolarHBondContact O-N 2.93Å; N238-K241 PolarHBondContact O-N 3.42Å; N238-A242 WeakPolarHBondContact O-CB 3.47Å; N238-A242 PolarHBondContact O-N 3.37Å |
| 239 | E | 95.8 | Very high | 92.9 | Very high | 59 Ų | 59 | 59.7 Ų | 59.7 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.2 | -47.2 | 179.5 | -164.4 | 172.2 | -169.9 | 0 | 0 | 111.3 | L212 R216 T235 L236 K241 A242 M243 | L212-E239 HydrophobicContact CD1-CG 3.75Å; R216-E239 IonicContact CZ-OE1 3.97Å; R216-E239 IonicContact CZ-OE2 3.41Å; R216-E239 IonicContact NE-OE2 2.82Å; R216-E239 PolarHBondContact NE-OE2 3.15Å; R216-E239 VanDerWaalsContact NH2-CD 3.27Å; R216-E239 IonicContact NH2-OE1 3.85Å; R216-E239 PolarHBondContact NH2-OE1 2.95Å; R216-E239 IonicContact NH2-OE2 2.94Å; R216-E239 PolarHBondContact NH2-OE2 3.2Å; T235-E239 WeakPolarHBondContact O-CB 3.43Å; T235-E239 PolarHBondContact O-N 2.9Å; L236-E239 PolarHBondContact O-N 3.08Å; E239-K241 VanDerWaalsContact C-N 3.33Å; E239-K241 PolarHBondContact O-N 2.75Å; E239-A242 WeakPolarHBondContact O-CB 3.36Å; E239-A242 PolarHBondContact O-N 3.35Å; E239-A242 VanDerWaalsContact O-N 3.14Å; E239-M243 WeakPolarHBondContact O-CG 3.43Å; E239-M243 PolarHBondContact O-N 3.47Å |
| 240 | I | 96.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.7 | -42 | 176.2 | -65.7 | 171.8 | 0 | 0 | 0 | 110.6 | I209 L212 L236 A242 M243 L244 V256 V297 | I209-I240 HydrophobicContact CD1-CG2 3.99Å; I209-I240 HydrophobicContact CG1-CG2 4.44Å; I209-I240 HydrophobicContact CG2-CD1 4Å; I209-I240 HydrophobicContact CG2-CG1 4.12Å; I209-I240 HydrophobicContact CG2-CG2 4.38Å; L212-I240 HydrophobicContact CD2-CG1 4.43Å; L236-I240 WeakPolarHBondContact O-CB 3.13Å; L236-I240 WeakPolarHBondContact O-CG1 3.12Å; L236-I240 PolarHBondContact O-N 3.27Å; I240-A242 VanDerWaalsContact C-N 3.31Å; I240-A242 PolarHBondContact O-N 2.72Å; I240-M243 PolarHBondContact O-N 3.05Å; I240-L244 HydrophobicContact CG2-CD1 4.17Å; I240-L244 HydrophobicContact CG2-CG 4.49Å; I240-L244 WeakPolarHBondContact O-CG 3.5Å; I240-L244 PolarHBondContact O-N 2.85Å; I240-V256 HydrophobicContact CB-CG1 4.35Å; I240-V256 HydrophobicContact CG2-CG1 4.02Å; I240-V256 HydrophobicContact CG2-CG2 4.15Å; I240-V297 HydrophobicContact CD1-CG1 3.85Å; I240-V297 HydrophobicContact CD1-CG2 4.08Å |
| 241 | K | 94.9 | Very high | 92 | Very high | 84 Ų | 84 | 68.8 Ų | 68.8 | 37% | 0.365 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 175.3 | -174.3 | 176.9 | -175.6 | 176.1 | 0 | 112.1 | T237 N238 E239 K245 V256 | T237-K241 WeakPolarHBondContact O-CB 3.26Å; T237-K241 PolarHBondContact O-N 2.99Å; N238-K241 PolarHBondContact O-N 3.42Å; E239-K241 VanDerWaalsContact C-N 3.33Å; E239-K241 PolarHBondContact O-N 2.75Å; K241-K245 WeakPolarHBondContact O-CB 3.36Å; K241-K245 WeakPolarHBondContact O-CG 3.48Å; K241-K245 PolarHBondContact O-N 2.95Å; K241-K245 VanDerWaalsContact O-N 3.08Å; K241-V256 HydrophobicContact CB-CG2 4.29Å |
| 242 | A | 94.5 | Very high | 91.9 | Very high | 58 Ų | 58 | 60.1 Ų | 60.1 | 48% | 0.479 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N238 E239 I240 K245 A246 | N238-A242 WeakPolarHBondContact O-CB 3.47Å; N238-A242 PolarHBondContact O-N 3.37Å; E239-A242 WeakPolarHBondContact O-CB 3.36Å; E239-A242 PolarHBondContact O-N 3.35Å; E239-A242 VanDerWaalsContact O-N 3.14Å; I240-A242 VanDerWaalsContact C-N 3.31Å; I240-A242 PolarHBondContact O-N 2.72Å; A242-K245 PolarHBondContact O-N 3.26Å; A242-A246 WeakPolarHBondContact O-CB 3.35Å; A242-A246 PolarHBondContact O-N 2.79Å |
| 243 | M | 93.8 | Very high | 91.8 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 15% | 0.148 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.2 | -70.5 | 175.4 | 63.4 | 0 | 0 | 112.7 | I205 R208 I209 L212 E239 I240 K245 A246 H247 | I205-M243 HydrophobicContact CD1-CB 4.46Å; I205-M243 WeakPolarHBondContact CD1-O 3.24Å; R208-M243 HydrophobicContact CB-CE 3.9Å; R208-M243 HydrophobicContact CG-CE 3.46Å; R208-M243 VanDerWaalsContact CG-CE 3.46Å; I209-M243 HydrophobicContact CG1-CE 3.98Å; L212-M243 HydrophobicContact CD1-SD 3.41Å; L212-M243 WeakPolarHBondContact CD1-SD 3.49Å; E239-M243 WeakPolarHBondContact O-CG 3.43Å; E239-M243 PolarHBondContact O-N 3.47Å; I240-M243 PolarHBondContact O-N 3.05Å; M243-K245 VanDerWaalsContact C-N 3.33Å; M243-K245 PolarHBondContact O-N 3.08Å; M243-A246 PolarHBondContact O-N 3.03Å; M243-H247 PolarHBondContact O-N 2.98Å; M243-H247 VanDerWaalsContact O-N 3.14Å |
| 244 | L | 93.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 176.4 | -74.6 | 171.4 | 0 | 0 | 0 | 111.5 | F200 I205 I209 I240 A246 H247 G248 Y254 V256 F284 C299 I301 | F200-L244 HydrophobicContact CE1-CD2 4.5Å; F200-L244 HydrophobicContact CZ-CD2 3.99Å; I205-L244 HydrophobicContact CD1-CD2 3.9Å; I205-L244 HydrophobicContact CD1-CG 4.46Å; I205-L244 HydrophobicContact CG1-CD2 4.37Å; I205-L244 HydrophobicContact CG2-CD2 4.49Å; I209-L244 HydrophobicContact CD1-CD2 4.36Å; I240-L244 HydrophobicContact CG2-CD1 4.17Å; I240-L244 HydrophobicContact CG2-CG 4.49Å; I240-L244 WeakPolarHBondContact O-CG 3.5Å; I240-L244 PolarHBondContact O-N 2.85Å; L244-A246 VanDerWaalsContact C-N 3.33Å; L244-A246 PolarHBondContact O-N 2.74Å; L244-H247 PolarHBondContact O-N 3.09Å; L244-G248 PolarHBondContact O-N 3.4Å; L244-Y254 HydrophobicContact CB-CD1 3.71Å; L244-Y254 HydrophobicContact CB-CE1 4.14Å; L244-Y254 HydrophobicContact CB-CG 4.07Å; L244-Y254 HydrophobicContact CD1-CD1 4.37Å; L244-Y254 HydrophobicContact CG-CD1 4.47Å; L244-V256 HydrophobicContact CD1-CG2 3.63Å; L244-F284 HydrophobicContact CD2-CE1 4.23Å; L244-F284 HydrophobicContact CD2-CZ 4.09Å; L244-C299 HydrophobicContact CD1-CB 4.31Å; L244-I301 HydrophobicContact CD2-CD1 4.43Å |
| 245 | K | 92.4 | Very high | 91.7 | Very high | 127 Ų | 127 | 65.9 Ų | 65.9 | 55% | 0.552 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.7 | -32.2 | 176.2 | -76.8 | -178.6 | 171.5 | -165.2 | 0 | 113.8 | K241 A242 M243 H247 Y254 | K241-K245 WeakPolarHBondContact O-CB 3.36Å; K241-K245 WeakPolarHBondContact O-CG 3.48Å; K241-K245 PolarHBondContact O-N 2.95Å; K241-K245 VanDerWaalsContact O-N 3.08Å; A242-K245 PolarHBondContact O-N 3.26Å; M243-K245 VanDerWaalsContact C-N 3.33Å; M243-K245 PolarHBondContact O-N 3.08Å; K245-H247 VanDerWaalsContact C-N 3.33Å; K245-Y254 HydrophobicContact CG-CD2 3.66Å; K245-Y254 HydrophobicContact CG-CE2 3.84Å |
| 246 | A | 91.6 | Very high | 91.8 | Very high | 91 Ų | 91 | 64.1 Ų | 64.1 | 75% | 0.752 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -74.4 | -27 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A242 M243 L244 | A242-A246 WeakPolarHBondContact O-CB 3.35Å; A242-A246 PolarHBondContact O-N 2.79Å; M243-A246 PolarHBondContact O-N 3.03Å; L244-A246 VanDerWaalsContact C-N 3.33Å; L244-A246 PolarHBondContact O-N 2.74Å |
| 247 | H | 88 | Confident | 91.7 | Very high | 88 Ų | 88 | 69.9 Ų | 69.9 | 41% | 0.407 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -92.9 | -33.1 | -178.8 | -170.8 | -72.3 | 0 | 0 | 0 | 113.2 | F200 S204 I205 M243 L244 K245 | F200-H247 AromaticContact CZ-ND1 3.99Å; S204-H247 PolarHBondContact OG-CE1 3.34Å; S204-H247 PolarHBondContact OG-NE2 2.94Å; I205-H247 HydrophobicContact CD1-CB 3.57Å; M243-H247 PolarHBondContact O-N 2.98Å; M243-H247 VanDerWaalsContact O-N 3.14Å; L244-H247 PolarHBondContact O-N 3.09Å; K245-H247 VanDerWaalsContact C-N 3.33Å |
| 248 | G | 82.4 | Confident | 91.7 | Very high | 18 Ų | 18 | 69.2 Ų | 69.2 | 19% | 0.186 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -98.7 | 162.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L244 Y254 | L244-G248 PolarHBondContact O-N 3.4Å; G248-Y254 VanDerWaalsContact C-OH 3.26Å; G248-Y254 WeakPolarHBondContact CA-OH 3.48Å |
| 249 | E | 80.2 | Confident | 91.6 | Very high | 63 Ų | 63 | 67 Ų | 67 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | trans | -66.6 | 155.8 | 174.7 | -61.3 | -171.7 | 159.5 | 0 | 0 | 111.8 | R251 Y252 Y254 | E249-R251 PolarHBondContact O-N 3.47Å; E249-R251 VanDerWaalsContact O-N 3.08Å; E249-Y252 HydrophobicContact CB-CD2 4.27Å; E249-Y252 HydrophobicContact CB-CE2 4.47Å; E249-Y252 PolarHBondContact O-N 3.13Å; E249-Y254 PolarHBondContact O-OH 3.14Å | ||
| 250 | E | 81.8 | Confident | 91.5 | Very high | 202 Ų | 202 | 65.1 Ų | 65.1 | 94% | 0.944 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.7 | 178.9 | -63.9 | -173.5 | 164.8 | 0 | 0 | 113.7 | Y252 | E250-Y252 VanDerWaalsContact C-N 3.27Å; E250-Y252 PolarHBondContact O-N 3.05Å |
| 251 | R | 87.3 | Confident | 91.3 | Very high | 96 Ų | 96 | 67.5 Ų | 67.5 | 36% | 0.362 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -5.7 | -179.5 | -64.5 | -164.1 | -174.3 | -137.1 | 5.2 | 114.3 | Q193 E249 Y303 K304 | Q193-R251 PolarHBondContact O-NH1 3.5Å; E249-R251 PolarHBondContact O-N 3.47Å; E249-R251 VanDerWaalsContact O-N 3.08Å; R251-Y303 HydrophobicContact CB-CD2 4.36Å; R251-Y303 HydrophobicContact CB-CE2 3.72Å; R251-Y303 WeakPolarHBondContact CD-OH 3.34Å; R251-K304 WeakPolarHBondContact O-CA 3.39Å; R251-K304 WeakPolarHBondContact O-CB 3.48Å; R251-K304 PolarHBondContact O-N 2.93Å |
| 252 | Y | 90.8 | Very high | 91.3 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 4% | 0.043 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 142.7 | 175.7 | -67.8 | -87.2 | 0 | 0 | 0 | 112.1 | P196 E198 F200 E249 E250 Y254 I301 V302 Y303 | P196-Y252 HydrophobicContact CB-CE2 4.2Å; P196-Y252 WeakPolarHBondContact CB-OH 3.48Å; P196-Y252 WeakPolarHBondContact CG-OH 3.45Å; E198-Y252 PolarHBondContact O-OH 3.27Å; E198-Y252 VanDerWaalsContact O-OH 3.07Å; F200-Y252 HydrophobicContact CB-CE1 4.49Å; F200-Y252 PolarHBondContact N-OH 3.19Å; E249-Y252 HydrophobicContact CB-CD2 4.27Å; E249-Y252 HydrophobicContact CB-CE2 4.47Å; E249-Y252 PolarHBondContact O-N 3.13Å; E250-Y252 VanDerWaalsContact C-N 3.27Å; E250-Y252 PolarHBondContact O-N 3.05Å; Y252-Y254 VanDerWaalsContact O-CE2 3.31Å; Y252-Y254 WeakPolarHBondContact O-CE2 3.41Å; Y252-I301 HydrophobicContact CD1-CG2 3.5Å; Y252-I301 HydrophobicContact CE1-CG2 4.13Å; Y252-I301 HydrophobicContact CG-CG2 3.89Å; Y252-V302 CarbonylContact C-O 3.6Å; Y252-V302 WeakPolarHBondContact CA-O 3.47Å; Y252-Y303 AromaticContact CD1-CD2 3.97Å; Y252-Y303 HydrophobicContact CD1-CD2 3.97Å; Y252-Y303 HydrophobicContact CD2-CD2 4.49Å; Y252-Y303 AromaticContact CE1-CD2 3.68Å; Y252-Y303 HydrophobicContact CE1-CD2 3.68Å; Y252-Y303 HydrophobicContact CE1-CG 4.25Å; Y252-Y303 HydrophobicContact CE2-CD2 4.22Å; Y252-Y303 HydrophobicContact CG-CD2 4.4Å; Y252-Y303 AromaticContact CZ-CD2 3.83Å |
| 253 | R | 91.4 | Very high | 91.2 | Very high | 157 Ų | 157 | 67.8 Ų | 67.8 | 59% | 0.592 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.5 | 167.1 | -70.3 | -179.5 | 173.3 | 177.4 | 0.7 | 109.1 | V302 K304 | R253-V302 PolarHBondContact N-O 2.88Å; R253-V302 PolarHBondContact O-N 3.41Å; R253-K304 HydrophobicContact CG-CB 4.45Å |
| 254 | Y | 94.2 | Very high | 91.1 | Very high | 21 Ų | 21 | 69.8 Ų | 69.8 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.9 | -177.8 | -51.4 | -80.8 | 0 | 0 | 0 | 110.8 | F200 L244 K245 G248 E249 Y252 I301 | F200-Y254 HydrophobicContact CE2-CE1 4.05Å; L244-Y254 HydrophobicContact CB-CD1 3.71Å; L244-Y254 HydrophobicContact CB-CE1 4.14Å; L244-Y254 HydrophobicContact CB-CG 4.07Å; L244-Y254 HydrophobicContact CD1-CD1 4.37Å; L244-Y254 HydrophobicContact CG-CD1 4.47Å; K245-Y254 HydrophobicContact CG-CD2 3.66Å; K245-Y254 HydrophobicContact CG-CE2 3.84Å; G248-Y254 VanDerWaalsContact C-OH 3.26Å; G248-Y254 WeakPolarHBondContact CA-OH 3.48Å; E249-Y254 PolarHBondContact O-OH 3.14Å; Y252-Y254 VanDerWaalsContact O-CE2 3.31Å; Y252-Y254 WeakPolarHBondContact O-CE2 3.41Å; Y254-I301 HydrophobicContact CD1-CG1 4.01Å; Y254-I301 HydrophobicContact CD1-CG2 4.29Å; Y254-I301 HydrophobicContact CE1-CG1 4.31Å; Y254-I301 HydrophobicContact CE1-CG2 4.05Å |
| 255 | L | 94.3 | Very high | 90.8 | Very high | 89 Ų | 89 | 79.4 Ų | 79.4 | 47% | 0.466 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.7 | 173.4 | -60.2 | 165.6 | 0 | 0 | 0 | 108.2 | F257 C299 F300 V302 | L255-F257 HydrophobicContact CB-CE2 4.24Å; L255-C299 WeakPolarHBondContact O-CA 3.34Å; L255-F300 HydrophobicContact CB-CB 4.17Å; L255-F300 HydrophobicContact CB-CD2 4.38Å; L255-F300 PolarHBondContact N-O 3.23Å; L255-F300 PolarHBondContact O-N 2.73Å; L255-V302 HydrophobicContact CD1-CG2 4.46Å |
| 256 | V | 95.8 | Very high | 90.7 | Very high | 22 Ų | 22 | 80.7 Ų | 80.7 | 13% | 0.133 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.3 | -179.5 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | T237 I240 K241 L244 V297 | T237-V256 HydrophobicContact CG2-CB 4.06Å; T237-V256 HydrophobicContact CG2-CG1 4.09Å; I240-V256 HydrophobicContact CB-CG1 4.35Å; I240-V256 HydrophobicContact CG2-CG1 4.02Å; I240-V256 HydrophobicContact CG2-CG2 4.15Å; K241-V256 HydrophobicContact CB-CG2 4.29Å; L244-V256 HydrophobicContact CD1-CG2 3.63Å; V256-V297 HydrophobicContact CG1-CG1 3.96Å |
| 257 | F | 95.1 | Very high | 90.5 | Very high | 121 Ų | 121 | 84.9 Ų | 84.9 | 53% | 0.531 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 110.1 | 174.6 | -68.9 | -91.2 | 0 | 0 | 0 | 108.3 | L255 V297 N298 F300 | L255-F257 HydrophobicContact CB-CE2 4.24Å; F257-V297 CarbonylContact O-C 3.58Å; F257-V297 WeakPolarHBondContact O-CA 3.49Å; F257-N298 HydrophobicContact CB-CB 4.25Å; F257-N298 PolarHBondContact N-O 2.96Å; F257-N298 PolarHBondContact O-N 3.27Å; F257-F300 AromaticContact CD2-CD2 3.68Å; F257-F300 HydrophobicContact CD2-CD2 3.68Å; F257-F300 AromaticContact CD2-CE2 3.44Å; F257-F300 HydrophobicContact CD2-CE2 3.44Å; F257-F300 VanDerWaalsContact CD2-CE2 3.44Å; F257-F300 AromaticContact CE2-CD2 3.79Å; F257-F300 HydrophobicContact CE2-CD2 3.79Å; F257-F300 AromaticContact CE2-CE2 3.72Å; F257-F300 HydrophobicContact CE2-CE2 3.72Å; F257-F300 HydrophobicContact CG-CE2 4.47Å |
| 258 | C | 95.4 | Very high | 90.4 | Very high | 17 Ų | 17 | 83.4 Ų | 83.4 | 12% | 0.115 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.4 | 175.9 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | C233 T237 | C233-C258 PolarHBondContact SG-O 3.2Å; C233-C258 VanDerWaalsContact SG-O 3.32Å; T237-C258 VanDerWaalsContact OG1-CB 3.24Å; T237-C258 WeakPolarHBondContact OG1-CB 3.28Å |
| 259 | V | 93.9 | Very high | 90.6 | Very high | 52 Ų | 52 | 86.6 Ų | 86.6 | 32% | 0.315 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 118.5 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | F270 I295 S296 | V259-F270 HydrophobicContact CB-CE1 4.3Å; V259-F270 HydrophobicContact CB-CZ 4.18Å; V259-F270 HydrophobicContact CG1-CE1 3.85Å; V259-F270 HydrophobicContact CG1-CE2 4.38Å; V259-F270 HydrophobicContact CG1-CZ 3.56Å; V259-F270 HydrophobicContact CG2-CD1 4.5Å; V259-F270 HydrophobicContact CG2-CE1 4.14Å; V259-I295 WeakPolarHBondContact O-CA 3.34Å; V259-S296 PolarHBondContact N-O 3.39Å; V259-S296 PolarHBondContact O-N 2.84Å |
| 260 | V | 94 | Very high | 90.9 | Very high | 21 Ų | 21 | 87.6 Ų | 87.6 | 13% | 0.127 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 116.2 | 173.3 | -179 | 0 | 0 | 0 | 0 | 107.4 | A229 L232 C233 Y293 I295 | A229-V260 HydrophobicContact CB-CG1 3.87Å; L232-V260 HydrophobicContact CD2-CG1 4.25Å; L232-V260 HydrophobicContact CD2-CG2 4.3Å; C233-V260 HydrophobicContact CB-CG2 3.94Å; V260-Y293 HydrophobicContact CG1-CD1 4.15Å; V260-I295 HydrophobicContact CG1-CD1 4.5Å; V260-I295 HydrophobicContact CG1-CG1 4.28Å; V260-I295 HydrophobicContact CG2-CD1 4.31Å; V260-I295 HydrophobicContact CG2-CG1 4.26Å; V260-I295 HydrophobicContact CG2-CG2 4.07Å |
| 261 | M | 92.9 | Very high | 91.4 | Very high | 49 Ų | 49 | 84.2 Ų | 84.2 | 24% | 0.241 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 157.2 | -178.3 | 61.3 | -177.1 | -78.5 | 0 | 0 | 111.3 | F270 Y293 S294 | M261-F270 HydrophobicContact SD-CE2 3.83Å; M261-F270 HydrophobicContact SD-CZ 3.76Å; M261-Y293 WeakPolarHBondContact O-CA 3.09Å; M261-S294 WeakPolarHBondContact CG-O 3.13Å; M261-S294 PolarHBondContact N-O 3.15Å; M261-S294 PolarHBondContact O-N 2.99Å |
| 262 | Q | 94.4 | Very high | 91.5 | Very high | 99 Ų | 99 | 82.8 Ų | 82.8 | 46% | 0.463 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 134.1 | 171.7 | -174.1 | 174.2 | 5.1 | 0 | 0 | 109.3 | Y224 C264 | Y224-Q262 HydrophobicContact CD1-CB 3.87Å; Y224-Q262 HydrophobicContact CD1-CG 4.02Å; Y224-Q262 HydrophobicContact CD2-CB 3.72Å; Y224-Q262 HydrophobicContact CD2-CG 4.04Å; Y224-Q262 HydrophobicContact CE1-CB 4.03Å; Y224-Q262 HydrophobicContact CE2-CB 3.89Å; Y224-Q262 HydrophobicContact CG-CB 3.71Å; Y224-Q262 HydrophobicContact CG-CG 3.68Å; Q262-C264 PolarHBondContact O-N 2.77Å |
| 263 | N | 92.2 | Very high | 91.5 | Very high | 49 Ų | 49 | 94 Ų | 94 | 26% | 0.262 | 48% | 0.477 | S | S | . | . | trans | -79.8 | 98 | 171.9 | -172.2 | 1.1 | 0 | 0 | 0 | 109.6 | K265 N290 S292 | N263-K265 PolarHBondContact OD1-N 3.29Å; N263-N290 PolarHBondContact ND2-O 3.43Å; N263-S292 PolarHBondContact N-O 2.88Å | ||
| 264 | C | 90.8 | Very high | 91.4 | Very high | 73 Ų | 73 | 90.2 Ų | 90.2 | 49% | 0.493 | 47% | 0.471 | S | S | . | . | trans | -96.7 | 18.3 | 175.8 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | Q262 Q266 | Q262-C264 PolarHBondContact O-N 2.77Å; C264-Q266 HydrophobicContact CB-CG 4.44Å; C264-Q266 PolarHBondContact O-N 3.41Å; C264-Q266 VanDerWaalsContact O-N 3.15Å | ||
| 265 | K | 88.5 | Confident | 91.3 | Very high | 201 Ų | 201 | 97.6 Ų | 97.6 | 87% | 0.874 | 51% | 0.511 | S | S | * | . | S | Bend | trans | 56.6 | 23.4 | -172.8 | -54.8 | -179.4 | 179.9 | 179.1 | 0 | 113.9 | N263 | N263-K265 PolarHBondContact OD1-N 3.29Š|
| 266 | Q | 89.2 | Confident | 91.1 | Very high | 155 Ų | 155 | 97 Ų | 97 | 72% | 0.724 | 50% | 0.503 | S | S | * | . | trans | -96.2 | 140.2 | 172.6 | -68.5 | -178.9 | -12 | 0 | 0 | 109.4 | C264 S268 | C264-Q266 HydrophobicContact CB-CG 4.44Å; C264-Q266 PolarHBondContact O-N 3.41Å; C264-Q266 VanDerWaalsContact O-N 3.15Å; Q266-S268 PolarHBondContact O-N 3.45Å | ||
| 267 | L | 88.2 | Confident | 90.8 | Very high | 179 Ų | 179 | 98.5 Ų | 98.5 | 94% | 0.937 | 51% | 0.51 | S | S | * | . | trans | -67.4 | 122.5 | 175 | -175.9 | 67.9 | 0 | 0 | 0 | 109.2 | ||||
| 268 | S | 85.8 | Confident | 90.4 | Very high | 56 Ų | 56 | 100.1 Ų | 100.1 | 39% | 0.392 | 52% | 0.521 | S | S | . | . | trans | -124.9 | 131.2 | 174.7 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | Q266 | Q266-S268 PolarHBondContact O-N 3.45Š| ||
| 269 | A | 87.6 | Confident | 90.1 | Very high | 86 Ų | 86 | 104.1 Ų | 104.1 | 71% | 0.711 | 54% | 0.541 | S | S | * | . | trans | -126.9 | 129.6 | 179 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 270 | F | 86.2 | Confident | 89.8 | Confident | 84 Ų | 84 | 105 Ų | 105 | 37% | 0.368 | 54% | 0.54 | S | S | . | . | trans | -106.8 | 123.3 | 174.2 | -62.9 | -79.9 | 0 | 0 | 0 | 108.8 | V259 M261 S296 | V259-F270 HydrophobicContact CB-CE1 4.3Å; V259-F270 HydrophobicContact CB-CZ 4.18Å; V259-F270 HydrophobicContact CG1-CE1 3.85Å; V259-F270 HydrophobicContact CG1-CE2 4.38Å; V259-F270 HydrophobicContact CG1-CZ 3.56Å; V259-F270 HydrophobicContact CG2-CD1 4.5Å; V259-F270 HydrophobicContact CG2-CE1 4.14Å; M261-F270 HydrophobicContact SD-CE2 3.83Å; M261-F270 HydrophobicContact SD-CZ 3.76Å; F270-S296 WeakPolarHBondContact CD2-OG 3.5Å | ||
| 271 | T | 90.7 | Very high | 89.7 | Confident | 131 Ų | 131 | 104.7 Ų | 104.7 | 80% | 0.804 | 54% | 0.537 | S | S | * | . | trans | -127.6 | 141.8 | 174.2 | 63.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 272 | S | 89.6 | Confident | 89.6 | Confident | 65 Ų | 65 | 105.2 Ų | 105.2 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | trans | -125.1 | 137.9 | 175.8 | 58.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 273 | R | 91.9 | Very high | 89.6 | Confident | 247 Ų | 247 | 102.8 Ų | 102.8 | 93% | 0.932 | 53% | 0.531 | S | S | * | . | trans | -117.8 | 115 | 172.6 | -65.1 | -175.4 | -176.9 | 177.3 | 0.8 | 106.9 | ||||
| 274 | V | 89.5 | Confident | 89.7 | Confident | 77 Ų | 77 | 101.2 Ų | 101.2 | 47% | 0.467 | 52% | 0.521 | S | S | . | . | trans | -129 | 140.5 | -175 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | W276 F300 | V274-W276 HydrophobicContact CB-CD2 4.45Å; V274-W276 HydrophobicContact CG1-CB 4.29Å; V274-W276 HydrophobicContact CG1-CD2 4.02Å; V274-W276 HydrophobicContact CG1-CE3 4Å; V274-W276 HydrophobicContact CG1-CG 4.18Å; V274-F300 HydrophobicContact CG2-CD1 4.34Å; V274-F300 HydrophobicContact CG2-CE1 3.73Å; V274-F300 HydrophobicContact CG2-CZ 4.22Å | ||
| 275 | L | 91.1 | Very high | 89.8 | Confident | 176 Ų | 176 | 100.2 Ų | 100.2 | 92% | 0.921 | 52% | 0.515 | S | S | * | . | trans | -101.8 | 125.4 | 168.9 | -177.3 | 70.1 | 0 | 0 | 0 | 107.8 | ||||
| 276 | W | 90.9 | Very high | 90.1 | Very high | 77 Ų | 77 | 90.9 Ų | 90.9 | 29% | 0.292 | 47% | 0.474 | S | S | . | . | trans | -165 | 171.4 | -172.3 | 57.5 | 8.2 | 0 | 0 | 0 | 111 | V274 M278 D281 R282 S283 F300 | V274-W276 HydrophobicContact CB-CD2 4.45Å; V274-W276 HydrophobicContact CG1-CB 4.29Å; V274-W276 HydrophobicContact CG1-CD2 4.02Å; V274-W276 HydrophobicContact CG1-CE3 4Å; V274-W276 HydrophobicContact CG1-CG 4.18Å; W276-M278 PolarHBondContact O-N 3.07Å; W276-D281 HydrophobicContact CB-CB 4.04Å; W276-D281 WeakPolarHBondContact CB-OD2 3.49Å; W276-D281 HydrophobicContact CD2-CB 4.04Å; W276-D281 HydrophobicContact CE3-CB 3.87Å; W276-D281 HydrophobicContact CG-CB 4.14Å; W276-D281 HydrophobicContact CZ3-CB 4.37Å; W276-R282 VanDerWaalsContact CH2-C 3.48Å; W276-S283 WeakPolarHBondContact CH2-OG 2.91Å; W276-S283 WeakPolarHBondContact CZ2-OG 3.31Å; W276-F300 HydrophobicContact CE3-CD1 4.3Å; W276-F300 AromaticContact CH2-CD1 3.99Å; W276-F300 HydrophobicContact CH2-CD1 3.99Å; W276-F300 HydrophobicContact CZ3-CB 4.11Å; W276-F300 AromaticContact CZ3-CD1 3.56Å; W276-F300 HydrophobicContact CZ3-CD1 3.56Å; W276-F300 HydrophobicContact CZ3-CG 4.33Å | ||
| 277 | D | 89.3 | Confident | 90.3 | Very high | 53 Ų | 53 | 88 Ų | 88 | 28% | 0.283 | 46% | 0.464 | S | S | . | . | trans | -80.5 | 116.5 | -178.9 | -167.9 | -21.6 | 0 | 0 | 0 | 110.8 | N279 Y280 D281 | D277-N279 PolarHBondContact O-N 3.23Å; D277-N279 VanDerWaalsContact O-N 3.15Å; D277-N279 WeakPolarHBondContact OD1-CB 3.31Å; D277-N279 PolarHBondContact OD1-N 2.95Å; D277-N279 PolarHBondContact OD1-ND2 3.04Å; D277-Y280 HydrophobicContact CB-CD2 4.32Å; D277-Y280 PolarHBondContact O-N 3.43Å; D277-Y280 WeakPolarHBondContact OD2-CD2 3.48Å; D277-Y280 WeakPolarHBondContact OD2-CE2 3.5Å; D277-D281 PolarHBondContact N-OD2 3.07Å; D277-D281 WeakPolarHBondContact O-CA 3.46Å; D277-D281 VanDerWaalsContact O-CB 3.25Å; D277-D281 WeakPolarHBondContact O-CB 3.17Å; D277-D281 PolarHBondContact O-N 3.27Å | ||
| 278 | M | 87.1 | Confident | 90.5 | Very high | 156 Ų | 156 | 82.1 Ų | 82.1 | 77% | 0.768 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -21.6 | 178.2 | -66.9 | -175.6 | 66.1 | 0 | 0 | 113.2 | W276 R282 | W276-M278 PolarHBondContact O-N 3.07Å; M278-R282 PolarHBondContact O-NH1 3.21Å |
| 279 | N | 87.9 | Confident | 90.7 | Very high | 101 Ų | 101 | 84 Ų | 84 | 54% | 0.54 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -44.6 | -177.6 | -59.5 | -56.5 | 0 | 0 | 0 | 111.6 | D277 R282 | D277-N279 PolarHBondContact O-N 3.23Å; D277-N279 VanDerWaalsContact O-N 3.15Å; D277-N279 WeakPolarHBondContact OD1-CB 3.31Å; D277-N279 PolarHBondContact OD1-N 2.95Å; D277-N279 PolarHBondContact OD1-ND2 3.04Å; N279-R282 PolarHBondContact O-NH1 3.1Å; N279-R282 PolarHBondContact O-NH2 2.87Å |
| 280 | Y | 88.4 | Confident | 90.8 | Very high | 71 Ų | 71 | 83 Ų | 83 | 28% | 0.278 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -33.6 | -170.4 | -49.4 | -50.9 | 0 | 0 | 0 | 113.5 | P196 D277 | P196-Y280 VanDerWaalsContact CD-CE1 3.42Å; P196-Y280 HydrophobicContact CG-CD1 3.52Å; P196-Y280 HydrophobicContact CG-CE1 4.13Å; P196-Y280 HydrophobicContact CG-CG 4.25Å; D277-Y280 HydrophobicContact CB-CD2 4.32Å; D277-Y280 PolarHBondContact O-N 3.43Å; D277-Y280 WeakPolarHBondContact OD2-CD2 3.48Å; D277-Y280 WeakPolarHBondContact OD2-CE2 3.5Å |
| 281 | D | 91.6 | Very high | 91 | Very high | 14 Ų | 14 | 84.1 Ų | 84.1 | 8% | 0.075 | 44% | 0.438 | C | S | . | . | trans | -86.2 | 144.7 | -173.2 | -58.2 | -24.5 | 0 | 0 | 0 | 111.2 | W276 D277 I301 V302 Y303 | W276-D281 HydrophobicContact CB-CB 4.04Å; W276-D281 WeakPolarHBondContact CB-OD2 3.49Å; W276-D281 HydrophobicContact CD2-CB 4.04Å; W276-D281 HydrophobicContact CE3-CB 3.87Å; W276-D281 HydrophobicContact CG-CB 4.14Å; W276-D281 HydrophobicContact CZ3-CB 4.37Å; D277-D281 PolarHBondContact N-OD2 3.07Å; D277-D281 WeakPolarHBondContact O-CA 3.46Å; D277-D281 VanDerWaalsContact O-CB 3.25Å; D277-D281 WeakPolarHBondContact O-CB 3.17Å; D277-D281 PolarHBondContact O-N 3.27Å; D281-I301 WeakPolarHBondContact CA-O 3.1Å; D281-V302 VanDerWaalsContact OD1-CA 3.28Å; D281-V302 WeakPolarHBondContact OD1-CA 3.18Å; D281-Y303 PolarHBondContact OD1-N 3.15Å | ||
| 282 | R | 91.7 | Very high | 91.1 | Very high | 59 Ų | 59 | 79.1 Ų | 79.1 | 22% | 0.223 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 144 | -172.7 | -68.6 | -61.4 | 176.8 | -98.3 | 1.2 | 110.3 | I202 W276 M278 N279 I301 | I202-R282 HydrophobicContact CD1-CB 3.83Å; I202-R282 HydrophobicContact CD1-CG 4.23Å; I202-R282 HydrophobicContact CG1-CB 4.09Å; I202-R282 HydrophobicContact CG1-CG 4.4Å; W276-R282 VanDerWaalsContact CH2-C 3.48Å; M278-R282 PolarHBondContact O-NH1 3.21Å; N279-R282 PolarHBondContact O-NH1 3.1Å; N279-R282 PolarHBondContact O-NH2 2.87Å; R282-I301 HydrophobicContact CB-CB 4.33Å; R282-I301 HydrophobicContact CB-CD1 4.19Å; R282-I301 PolarHBondContact N-O 2.76Å; R282-I301 PolarHBondContact O-N 3.07Å |
| 283 | S | 93.3 | Very high | 91.2 | Very high | 49 Ų | 49 | 76.1 Ų | 76.1 | 34% | 0.343 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 156.1 | 169.5 | 57.4 | 0 | 0 | 0 | 0 | 110.2 | W276 C299 | W276-S283 WeakPolarHBondContact CH2-OG 2.91Å; W276-S283 WeakPolarHBondContact CZ2-OG 3.31Å; S283-C299 WeakPolarHBondContact CA-O 3.13Å; S283-C299 WeakPolarHBondContact CB-O 3.49Å |
| 284 | F | 93.9 | Very high | 91.3 | Very high | 15 Ų | 15 | 65.1 Ų | 65.1 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 151.8 | 164.8 | 57 | -84.8 | 0 | 0 | 0 | 108.9 | I202 I205 I209 L244 I286 C299 I301 | I202-F284 HydrophobicContact CG1-CD1 4.43Å; I202-F284 HydrophobicContact CG2-CB 3.91Å; I202-F284 HydrophobicContact CG2-CD1 3.62Å; I202-F284 HydrophobicContact CG2-CE1 4.37Å; I202-F284 HydrophobicContact CG2-CG 3.88Å; I205-F284 HydrophobicContact CG2-CE1 4.4Å; I205-F284 HydrophobicContact CG2-CZ 4.45Å; I209-F284 HydrophobicContact CD1-CE2 3.72Å; I209-F284 HydrophobicContact CD1-CZ 3.52Å; L244-F284 HydrophobicContact CD2-CE1 4.23Å; L244-F284 HydrophobicContact CD2-CZ 4.09Å; F284-I286 HydrophobicContact CD2-CD1 3.85Å; F284-I286 HydrophobicContact CD2-CG1 4.08Å; F284-I286 HydrophobicContact CE2-CD1 3.74Å; F284-I286 HydrophobicContact CE2-CG1 4.44Å; F284-C299 HydrophobicContact CD1-CB 4.16Å; F284-C299 HydrophobicContact CD2-CB 4.31Å; F284-C299 HydrophobicContact CE1-CB 3.64Å; F284-C299 HydrophobicContact CE2-CB 3.82Å; F284-C299 HydrophobicContact CG-CB 4.47Å; F284-C299 HydrophobicContact CZ-CB 3.45Å; F284-C299 VanDerWaalsContact CZ-CB 3.45Å; F284-C299 PolarHBondContact N-O 2.83Å; F284-C299 PolarHBondContact O-N 2.76Å; F284-I301 HydrophobicContact CD1-CD1 4.44Å; F284-I301 HydrophobicContact CE1-CD1 3.98Å |
| 285 | C | 94 | Very high | 91.5 | Very high | 53 Ų | 53 | 61.5 Ų | 61.5 | 36% | 0.358 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.1 | 173.2 | -178 | 0 | 0 | 0 | 0 | 108 | N287 V297 N298 | C285-N287 PolarHBondContact SG-OD1 2.92Å; C285-V297 CarbonylContact C-O 3.59Å; C285-V297 WeakPolarHBondContact CA-O 3.43Å; C285-N298 VanDerWaalsContact CB-OD1 3.26Å; C285-N298 WeakPolarHBondContact CB-OD1 3.35Å; C285-N298 PolarHBondContact SG-OD1 2.93Å |
| 286 | I | 94.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.8 | 172 | -63.9 | 161.9 | 0 | 0 | 0 | 106.8 | K206 I209 E210 L213 F284 V297 | K206-I286 HydrophobicContact CG-CD1 4.31Å; K206-I286 HydrophobicContact CG-CG1 4.44Å; I209-I286 HydrophobicContact CB-CD1 3.79Å; I209-I286 HydrophobicContact CG2-CD1 3.5Å; I209-I286 VanDerWaalsContact CG2-CD1 3.5Å; E210-I286 HydrophobicContact CG-CB 4.44Å; E210-I286 HydrophobicContact CG-CD1 3.78Å; E210-I286 HydrophobicContact CG-CG1 3.88Å; E210-I286 HydrophobicContact CG-CG2 3.67Å; L213-I286 HydrophobicContact CD2-CG2 3.76Å; F284-I286 HydrophobicContact CD2-CD1 3.85Å; F284-I286 HydrophobicContact CD2-CG1 4.08Å; F284-I286 HydrophobicContact CE2-CD1 3.74Å; F284-I286 HydrophobicContact CE2-CG1 4.44Å; I286-V297 PolarHBondContact N-O 3.41Å; I286-V297 PolarHBondContact O-N 2.67Å |
| 287 | N | 93.4 | Very high | 91.9 | Very high | 96 Ų | 96 | 49.8 Ų | 49.8 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.7 | 177.5 | -65.5 | -38 | 0 | 0 | 0 | 108.1 | C285 I295 S296 | C285-N287 PolarHBondContact SG-OD1 2.92Å; N287-I295 WeakPolarHBondContact CA-O 3.32Å; N287-S296 WeakPolarHBondContact OD1-CA 3.25Å; N287-S296 WeakPolarHBondContact OD1-CB 3.41Å; N287-S296 PolarHBondContact OD1-OG 3.31Å |
| 288 | Q | 92.2 | Very high | 92.2 | Very high | 54 Ų | 54 | 48.4 Ų | 48.4 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.2 | 176.7 | -164.9 | 78.3 | 5.4 | 0 | 0 | 108.6 | L213 I217 I295 | L213-Q288 HydrophobicContact CD2-CB 3.54Å; L213-Q288 HydrophobicContact CG-CB 3.84Å; L213-Q288 HydrophobicContact CG-CG 4.44Å; I217-Q288 HydrophobicContact CD1-CB 3.44Å; I217-Q288 VanDerWaalsContact CD1-CB 3.44Å; I217-Q288 HydrophobicContact CD1-CG 3.28Å; Q288-I295 PolarHBondContact N-O 3.09Å; Q288-I295 PolarHBondContact O-N 2.74Å |
| 289 | T | 91 | Very high | 92.6 | Very high | 96 Ų | 96 | 41 Ų | 41 | 59% | 0.589 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.1 | -177.7 | 59.1 | 0 | 0 | 0 | 0 | 111 | ||
| 290 | N | 89.3 | Confident | 92.9 | Very high | 64 Ų | 64 | 36.9 Ų | 36.9 | 34% | 0.342 | 20% | 0.203 | S | C | . | . | trans | -123.9 | 176.7 | 171.9 | -164.6 | -15.7 | 0 | 0 | 0 | 108.7 | I217 N263 S292 Y293 | I217-N290 HydrophobicContact CG2-CB 3.55Å; I217-N290 VanDerWaalsContact CG2-ND2 3.31Å; I217-N290 WeakPolarHBondContact CG2-ND2 3.1Å; N263-N290 PolarHBondContact ND2-O 3.43Å; N290-S292 PolarHBondContact O-N 2.78Å; N290-Y293 PolarHBondContact N-O 3.02Å | ||
| 291 | T | 90.2 | Very high | 93.1 | Very high | 109 Ų | 109 | 33.5 Ų | 33.5 | 67% | 0.669 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -52.5 | -38.3 | 179.2 | -54.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 292 | S | 91.8 | Very high | 93.2 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -117.3 | -18.6 | -172.8 | -57.5 | 0 | 0 | 0 | 0 | 114.8 | L222 N263 N290 | L222-S292 WeakPolarHBondContact O-CB 3.32Å; L222-S292 PolarHBondContact O-OG 2.88Å; N263-S292 PolarHBondContact N-O 2.88Å; N290-S292 PolarHBondContact O-N 2.78Å |
| 293 | Y | 93.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.1 | -176.7 | -64.9 | -98.2 | 0 | 0 | 0 | 110 | L220 P221 L223 Y224 E225 A229 V260 M261 N290 | L220-Y293 HydrophobicContact CB-CD2 4.4Å; L220-Y293 HydrophobicContact CB-CE2 4.16Å; L220-Y293 HydrophobicContact CD1-CD1 4.16Å; L220-Y293 HydrophobicContact CD1-CD2 4.32Å; L220-Y293 HydrophobicContact CD1-CE1 4.37Å; L220-Y293 HydrophobicContact CD1-CG 4.13Å; P221-Y293 VanDerWaalsContact O-CE2 3.24Å; P221-Y293 WeakPolarHBondContact O-CE2 3.47Å; L223-Y293 PolarHBondContact O-OH 3.2Å; Y224-Y293 WeakPolarHBondContact CA-OH 3.18Å; Y224-Y293 AromaticContact CD2-CD1 3.56Å; Y224-Y293 HydrophobicContact CD2-CD1 3.56Å; Y224-Y293 AromaticContact CD2-CE1 3.36Å; Y224-Y293 HydrophobicContact CD2-CE1 3.36Å; Y224-Y293 HydrophobicContact CD2-CG 4.28Å; Y224-Y293 AromaticContact CD2-CZ 3.91Å; Y224-Y293 AromaticContact CE2-CD1 3.85Å; Y224-Y293 HydrophobicContact CE2-CD1 3.85Å; Y224-Y293 AromaticContact CE2-CE1 3.77Å; Y224-Y293 HydrophobicContact CE2-CE1 3.77Å; Y224-Y293 HydrophobicContact CG-CE1 4.31Å; E225-Y293 PolarHBondContact N-OH 3.39Å; E225-Y293 VanDerWaalsContact N-OH 3.15Å; A229-Y293 HydrophobicContact CB-CE1 4.42Å; V260-Y293 HydrophobicContact CG1-CD1 4.15Å; M261-Y293 WeakPolarHBondContact O-CA 3.09Å; N290-Y293 PolarHBondContact N-O 3.02Å |
| 294 | S | 93.2 | Very high | 92.7 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126 | 164.9 | 173 | 0 | 0 | 0 | 0 | 107.8 | M261 | M261-S294 WeakPolarHBondContact CG-O 3.13Å; M261-S294 PolarHBondContact N-O 3.15Å; M261-S294 PolarHBondContact O-N 2.99Å |
| 295 | I | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.2 | -178 | -49 | -173.4 | 0 | 0 | 0 | 109.2 | L213 I217 L220 L232 L236 V259 V260 N287 Q288 V297 | L213-I295 HydrophobicContact CD1-CB 3.99Å; L213-I295 HydrophobicContact CD1-CD1 3.97Å; L213-I295 HydrophobicContact CD1-CG2 3.64Å; L213-I295 HydrophobicContact CD2-CG2 4.45Å; I217-I295 HydrophobicContact CD1-CB 4.23Å; I217-I295 HydrophobicContact CD1-CD1 3.75Å; I217-I295 HydrophobicContact CD1-CG1 3.99Å; I217-I295 HydrophobicContact CG1-CD1 3.52Å; I217-I295 HydrophobicContact CG1-CG1 4.21Å; L220-I295 HydrophobicContact CD1-CD1 4.47Å; L232-I295 HydrophobicContact CD2-CD1 3.89Å; L236-I295 HydrophobicContact CD1-CD1 4.19Å; L236-I295 HydrophobicContact CD1-CG2 4.35Å; V259-I295 WeakPolarHBondContact O-CA 3.34Å; V260-I295 HydrophobicContact CG1-CD1 4.5Å; V260-I295 HydrophobicContact CG1-CG1 4.28Å; V260-I295 HydrophobicContact CG2-CD1 4.31Å; V260-I295 HydrophobicContact CG2-CG1 4.26Å; V260-I295 HydrophobicContact CG2-CG2 4.07Å; N287-I295 WeakPolarHBondContact CA-O 3.32Å; Q288-I295 PolarHBondContact N-O 3.09Å; Q288-I295 PolarHBondContact O-N 2.74Å; I295-V297 HydrophobicContact CG2-CG2 4.2Å |
| 296 | S | 94.5 | Very high | 91.8 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124 | 176 | -70.9 | 0 | 0 | 0 | 0 | 109.3 | V259 F270 N287 | V259-S296 PolarHBondContact N-O 3.39Å; V259-S296 PolarHBondContact O-N 2.84Å; F270-S296 WeakPolarHBondContact CD2-OG 3.5Å; N287-S296 WeakPolarHBondContact OD1-CA 3.25Å; N287-S296 WeakPolarHBondContact OD1-CB 3.41Å; N287-S296 PolarHBondContact OD1-OG 3.31Å |
| 297 | V | 95.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.3 | 177.2 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | L213 I240 V256 F257 C285 I286 I295 | L213-V297 HydrophobicContact CD2-CG2 4.38Å; I240-V297 HydrophobicContact CD1-CG1 3.85Å; I240-V297 HydrophobicContact CD1-CG2 4.08Å; V256-V297 HydrophobicContact CG1-CG1 3.96Å; F257-V297 CarbonylContact O-C 3.58Å; F257-V297 WeakPolarHBondContact O-CA 3.49Å; C285-V297 CarbonylContact C-O 3.59Å; C285-V297 WeakPolarHBondContact CA-O 3.43Å; I286-V297 PolarHBondContact N-O 3.41Å; I286-V297 PolarHBondContact O-N 2.67Å; I295-V297 HydrophobicContact CG2-CG2 4.2Å |
| 298 | N | 95.3 | Very high | 91.5 | Very high | 25 Ų | 25 | 43.5 Ų | 43.5 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 118.2 | 172.7 | -73 | -74.4 | 0 | 0 | 0 | 109.4 | F257 C285 F300 | F257-N298 HydrophobicContact CB-CB 4.25Å; F257-N298 PolarHBondContact N-O 2.96Å; F257-N298 PolarHBondContact O-N 3.27Å; C285-N298 VanDerWaalsContact CB-OD1 3.26Å; C285-N298 WeakPolarHBondContact CB-OD1 3.35Å; C285-N298 PolarHBondContact SG-OD1 2.93Å; N298-F300 HydrophobicContact CB-CE2 4.06Å; N298-F300 HydrophobicContact CB-CZ 4.31Å |
| 299 | C | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131.5 | 178.2 | -66.4 | 0 | 0 | 0 | 0 | 109.4 | L244 L255 S283 F284 | L244-C299 HydrophobicContact CD1-CB 4.31Å; L255-C299 WeakPolarHBondContact O-CA 3.34Å; S283-C299 WeakPolarHBondContact CA-O 3.13Å; S283-C299 WeakPolarHBondContact CB-O 3.49Å; F284-C299 HydrophobicContact CD1-CB 4.16Å; F284-C299 HydrophobicContact CD2-CB 4.31Å; F284-C299 HydrophobicContact CE1-CB 3.64Å; F284-C299 HydrophobicContact CE2-CB 3.82Å; F284-C299 HydrophobicContact CG-CB 4.47Å; F284-C299 HydrophobicContact CZ-CB 3.45Å; F284-C299 VanDerWaalsContact CZ-CB 3.45Å; F284-C299 PolarHBondContact N-O 2.83Å; F284-C299 PolarHBondContact O-N 2.76Å |
| 300 | F | 94.5 | Very high | 91.5 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.2 | 172 | -49.9 | -91.3 | 0 | 0 | 0 | 109.1 | L255 F257 V274 W276 N298 | L255-F300 HydrophobicContact CB-CB 4.17Å; L255-F300 HydrophobicContact CB-CD2 4.38Å; L255-F300 PolarHBondContact N-O 3.23Å; L255-F300 PolarHBondContact O-N 2.73Å; F257-F300 AromaticContact CD2-CD2 3.68Å; F257-F300 HydrophobicContact CD2-CD2 3.68Å; F257-F300 AromaticContact CD2-CE2 3.44Å; F257-F300 HydrophobicContact CD2-CE2 3.44Å; F257-F300 VanDerWaalsContact CD2-CE2 3.44Å; F257-F300 AromaticContact CE2-CD2 3.79Å; F257-F300 HydrophobicContact CE2-CD2 3.79Å; F257-F300 AromaticContact CE2-CE2 3.72Å; F257-F300 HydrophobicContact CE2-CE2 3.72Å; F257-F300 HydrophobicContact CG-CE2 4.47Å; V274-F300 HydrophobicContact CG2-CD1 4.34Å; V274-F300 HydrophobicContact CG2-CE1 3.73Å; V274-F300 HydrophobicContact CG2-CZ 4.22Å; W276-F300 HydrophobicContact CE3-CD1 4.3Å; W276-F300 AromaticContact CH2-CD1 3.99Å; W276-F300 HydrophobicContact CH2-CD1 3.99Å; W276-F300 HydrophobicContact CZ3-CB 4.11Å; W276-F300 AromaticContact CZ3-CD1 3.56Å; W276-F300 HydrophobicContact CZ3-CD1 3.56Å; W276-F300 HydrophobicContact CZ3-CG 4.33Å; N298-F300 HydrophobicContact CB-CE2 4.06Å; N298-F300 HydrophobicContact CB-CZ 4.31Å |
| 301 | I | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 111.7 | 179 | -60.3 | 145.1 | 0 | 0 | 0 | 105.5 | F200 L244 Y252 Y254 D281 R282 F284 | F200-I301 HydrophobicContact CB-CG2 4.25Å; F200-I301 HydrophobicContact CD1-CD1 3.43Å; F200-I301 VanDerWaalsContact CD1-CD1 3.43Å; F200-I301 HydrophobicContact CD1-CG1 4.47Å; F200-I301 HydrophobicContact CD2-CG2 4.23Å; F200-I301 HydrophobicContact CE1-CD1 3.39Å; F200-I301 HydrophobicContact CE1-CG1 4.42Å; F200-I301 HydrophobicContact CG-CD1 4.07Å; F200-I301 HydrophobicContact CG-CG2 4.11Å; F200-I301 HydrophobicContact CZ-CD1 4.01Å; L244-I301 HydrophobicContact CD2-CD1 4.43Å; Y252-I301 HydrophobicContact CD1-CG2 3.5Å; Y252-I301 HydrophobicContact CE1-CG2 4.13Å; Y252-I301 HydrophobicContact CG-CG2 3.89Å; Y254-I301 HydrophobicContact CD1-CG1 4.01Å; Y254-I301 HydrophobicContact CD1-CG2 4.29Å; Y254-I301 HydrophobicContact CE1-CG1 4.31Å; Y254-I301 HydrophobicContact CE1-CG2 4.05Å; D281-I301 WeakPolarHBondContact CA-O 3.1Å; R282-I301 HydrophobicContact CB-CB 4.33Å; R282-I301 HydrophobicContact CB-CD1 4.19Å; R282-I301 PolarHBondContact N-O 2.76Å; R282-I301 PolarHBondContact O-N 3.07Å; F284-I301 HydrophobicContact CD1-CD1 4.44Å; F284-I301 HydrophobicContact CE1-CD1 3.98Å |
| 302 | V | 92.5 | Very high | 91.8 | Very high | 41 Ų | 41 | 32.9 Ų | 32.9 | 25% | 0.248 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.7 | -174 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | Y252 R253 L255 D281 | Y252-V302 CarbonylContact C-O 3.6Å; Y252-V302 WeakPolarHBondContact CA-O 3.47Å; R253-V302 PolarHBondContact N-O 2.88Å; R253-V302 PolarHBondContact O-N 3.41Å; L255-V302 HydrophobicContact CD1-CG2 4.46Å; D281-V302 VanDerWaalsContact OD1-CA 3.28Å; D281-V302 WeakPolarHBondContact OD1-CA 3.18Å |
| 303 | Y | 90.4 | Very high | 91.8 | Very high | 15 Ų | 15 | 33.4 Ų | 33.4 | 6% | 0.059 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 138.4 | 178.1 | -171.7 | -106.7 | 0 | 0 | 0 | 110.7 | G195 P196 R251 Y252 D281 | G195-Y303 VanDerWaalsContact C-CZ 3.45Å; G195-Y303 PolarHBondContact O-OH 3.08Å; G195-Y303 VanDerWaalsContact O-OH 3.07Å; P196-Y303 HydrophobicContact CB-CD2 3.88Å; P196-Y303 HydrophobicContact CB-CE2 3.53Å; P196-Y303 HydrophobicContact CG-CD2 4.17Å; P196-Y303 HydrophobicContact CG-CE2 4.14Å; P196-Y303 VanDerWaalsContact N-CZ 3.32Å; R251-Y303 HydrophobicContact CB-CD2 4.36Å; R251-Y303 HydrophobicContact CB-CE2 3.72Å; R251-Y303 WeakPolarHBondContact CD-OH 3.34Å; Y252-Y303 AromaticContact CD1-CD2 3.97Å; Y252-Y303 HydrophobicContact CD1-CD2 3.97Å; Y252-Y303 HydrophobicContact CD2-CD2 4.49Å; Y252-Y303 AromaticContact CE1-CD2 3.68Å; Y252-Y303 HydrophobicContact CE1-CD2 3.68Å; Y252-Y303 HydrophobicContact CE1-CG 4.25Å; Y252-Y303 HydrophobicContact CE2-CD2 4.22Å; Y252-Y303 HydrophobicContact CG-CD2 4.4Å; Y252-Y303 AromaticContact CZ-CD2 3.83Å; D281-Y303 PolarHBondContact OD1-N 3.15Å |
| 304 | K | 85.6 | Confident | 91.7 | Very high | 111 Ų | 111 | 36 Ų | 36 | 48% | 0.483 | 17% | 0.174 | S | C | . | . | trans | -101.1 | 110.2 | 176 | -171.7 | -166.3 | 169.1 | -164.7 | 0 | 108.6 | R251 R253 | R251-K304 WeakPolarHBondContact O-CA 3.39Å; R251-K304 WeakPolarHBondContact O-CB 3.48Å; R251-K304 PolarHBondContact O-N 2.93Å; R253-K304 HydrophobicContact CG-CB 4.45Å | ||
| 305 | E | 75.7 | Confident | 91.5 | Very high | 203 Ų | 203 | 37.8 Ų | 37.8 | 95% | 0.949 | 18% | 0.18 | S | C | * | . | trans | -61.4 | 0 | 166.3 | -62.5 | 175.7 | -176.6 | 0 | 0 | 112.4 |
Retrieved 305 of 305 residues in 266.4 ms
(Link to these results)