| 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 | 51.8 | Low | 48.8 | Very low | 244 Ų | 244 | 157.8 Ų | 157.8 | 100% | 1.202 | 84% | 0.844 | S | S | * | * | 0 | 99.5 | 0 | -62.8 | -168.3 | 178.8 | 0 | 0 | 107.8 | |||||
| 2 | T | 52.3 | Low | 48.7 | Very low | 136 Ų | 136 | 158.3 Ų | 158.3 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | trans | -94 | 115 | -173 | 3.7 | 0 | 0 | 0 | 0 | 109.5 | S4 | T2-S4 PolarHBondContact O-N 2.82Š| ||
| 3 | V | 46.9 | Very low | 48.7 | Very low | 151 Ų | 151 | 160.4 Ų | 160.4 | 92% | 0.915 | 84% | 0.836 | S | S | * | * | trans | -86.8 | 91.7 | 174.6 | -166.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 4 | S | 43.2 | Very low | 48.5 | Very low | 104 Ų | 104 | 157.7 Ų | 157.7 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -92.7 | 126 | 170.7 | -67.9 | 0 | 0 | 0 | 0 | 109.4 | T2 | T2-S4 PolarHBondContact O-N 2.82Š| ||
| 5 | R | 54 | Low | 48.5 | Very low | 239 Ų | 239 | 149.6 Ų | 149.6 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | 142.8 | 101 | 120.4 | -153.8 | 165.4 | -147.4 | 161.6 | 3.2 | 111.6 | |||||
| 6 | L | 57 | Low | 48.5 | Very low | 155 Ų | 155 | 149.4 Ų | 149.4 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -57.5 | 128.2 | 170.9 | -74.3 | 149.5 | 0 | 0 | 0 | 111.8 | K8 | L6-K8 PolarHBondContact O-N 3.49Š| ||
| 7 | N | 45 | Very low | 48.5 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -68.8 | 105.3 | 160.3 | -84.1 | -26.7 | 0 | 0 | 0 | 109.1 | ||||
| 8 | K | 51.1 | Low | 48.9 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 70% | 0.704 | 76% | 0.763 | S | S | * | * | trans | -138.3 | 68.7 | 170.4 | -101.3 | -172.4 | 176.8 | -176.4 | 0 | 109.6 | L6 | L6-K8 PolarHBondContact O-N 3.49Š| ||
| 9 | V | 46.4 | Very low | 48.9 | Very low | 139 Ų | 139 | 148.1 Ų | 148.1 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | trans | -144.1 | 68.3 | 171.6 | -165.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 10 | S | 44.1 | Very low | 48.9 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -154.5 | -2.6 | 169.6 | 33.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 11 | D | 45.1 | Very low | 49.3 | Very low | 127 Ų | 127 | 149.4 Ų | 149.4 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -104.7 | 3.6 | -171.7 | -65.5 | -43.8 | 0 | 0 | 0 | 116 | ||
| 12 | F | 47.2 | Very low | 49.6 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -96 | 0.4 | -163.5 | -74.8 | -75.4 | 0 | 0 | 0 | 117.8 | ||
| 13 | Q | 48.8 | Very low | 49.9 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -115.4 | -4.1 | -177.1 | -69.2 | -175.6 | -3.1 | 0 | 0 | 115.8 | ||
| 14 | N | 45.7 | Very low | 49.9 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 66% | 0.658 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -109.5 | -10.1 | 179.2 | -149.6 | 29.2 | 0 | 0 | 0 | 113.5 | ||
| 15 | A | 48.6 | Very low | 50.4 | Low | 36 Ų | 36 | 138 Ų | 138 | 30% | 0.298 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -82.4 | -17.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 16 | E | 48.5 | Very low | 50.5 | Low | 146 Ų | 146 | 132.1 Ų | 132.1 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -80.5 | -25.6 | -179.3 | -63.3 | -168.7 | 136.7 | 0 | 0 | 112.8 | ||
| 17 | N | 49.4 | Very low | 50.6 | Low | 100 Ų | 100 | 136.3 Ų | 136.3 | 54% | 0.535 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -83.6 | -18 | -178 | -165.1 | 31.2 | 0 | 0 | 0 | 113.2 | ||
| 18 | E | 54.5 | Low | 51.3 | Low | 146 Ų | 146 | 133.5 Ų | 133.5 | 68% | 0.682 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -89.5 | -32.3 | 175 | -71 | -175.7 | 166.1 | 0 | 0 | 112.5 | N20 | E18-N20 VanDerWaalsContact C-N 3.31Å; E18-N20 PolarHBondContact O-N 2.82Å |
| 19 | R | 50 | Low | 52.2 | Low | 178 Ų | 178 | 135.7 Ų | 135.7 | 67% | 0.672 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -69.7 | -24.9 | 175.7 | -70 | -176.5 | -142.3 | 171.2 | 5.3 | 113.9 | R21 | R19-R21 VanDerWaalsContact C-N 3.26Å; R19-R21 PolarHBondContact O-N 3.23Å |
| 20 | N | 49.1 | Very low | 53.6 | Low | 126 Ų | 126 | 138.4 Ų | 138.4 | 67% | 0.674 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -0.4 | -177.1 | -135 | -8.8 | 0 | 0 | 0 | 114.1 | E18 | E18-N20 VanDerWaalsContact C-N 3.31Å; E18-N20 PolarHBondContact O-N 2.82Å |
| 21 | R | 55.8 | Low | 55.1 | Low | 198 Ų | 198 | 143.3 Ų | 143.3 | 75% | 0.747 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -14 | 177.5 | -82 | -171.6 | -178.1 | -157.4 | 2.6 | 114.6 | R19 | R19-R21 VanDerWaalsContact C-N 3.26Å; R19-R21 PolarHBondContact O-N 3.23Å |
| 22 | S | 58.2 | Low | 57.1 | Low | 95 Ų | 95 | 143 Ų | 143 | 66% | 0.664 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -111.4 | 1.9 | -167.6 | 1.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 23 | L | 59.8 | Low | 58.9 | Low | 155 Ų | 155 | 146.5 Ų | 146.5 | 81% | 0.812 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -128 | 10.8 | -167.8 | -74.7 | 170.3 | 0 | 0 | 0 | 117.1 | ||
| 24 | S | 47.4 | Very low | 60.7 | Low | 55 Ų | 55 | 142.9 Ų | 142.9 | 39% | 0.385 | 70% | 0.702 | S | S | . | * | trans | -132.6 | 91.9 | 177.4 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | V26 M28 | S24-V26 PolarHBondContact O-N 2.9Å; S24-M28 WeakPolarHBondContact OG-CE 3.49Å | ||
| 25 | G | 51.9 | Low | 63 | Low | 90 Ų | 90 | 144.7 Ų | 144.7 | 93% | 0.928 | 71% | 0.711 | S | S | * | * | trans | -68.5 | 40.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 26 | V | 57.4 | Low | 65.2 | Low | 116 Ų | 116 | 145.8 Ų | 145.8 | 70% | 0.703 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -131.2 | 98.3 | 178.6 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | S24 M28 | S24-V26 PolarHBondContact O-N 2.9Å; V26-M28 PolarHBondContact O-N 3.44Å; V26-M28 VanDerWaalsContact O-N 3.08Å |
| 27 | R | 58.4 | Low | 67.5 | Low | 243 Ų | 243 | 141.8 Ų | 141.8 | 92% | 0.917 | 70% | 0.698 | S | S | * | * | trans | 29.9 | 67.5 | 166.4 | -59.9 | -177.6 | -174.5 | -173.5 | 1.9 | 114.4 | K29 | R27-K29 PolarHBondContact O-N 3.5Š| ||
| 28 | M | 60.9 | Low | 69.8 | Low | 111 Ų | 111 | 140.7 Ų | 140.7 | 55% | 0.547 | 70% | 0.703 | S | S | . | * | trans | -51 | 103.8 | 174.9 | -74.6 | -79.4 | -171.3 | 0 | 0 | 110.1 | S24 V26 K30 | S24-M28 WeakPolarHBondContact OG-CE 3.49Å; V26-M28 PolarHBondContact O-N 3.44Å; V26-M28 VanDerWaalsContact O-N 3.08Å; M28-K30 PolarHBondContact O-N 3.07Å | ||
| 29 | K | 68.6 | Low | 71.8 | Confident | 207 Ų | 207 | 140.3 Ų | 140.3 | 90% | 0.9 | 70% | 0.701 | S | S | * | * | trans | -54.7 | 112.2 | 172.8 | -77.3 | 175.5 | 176.7 | 174.1 | 0 | 107.3 | R27 R31 | R27-K29 PolarHBondContact O-N 3.5Å; K29-R31 PolarHBondContact O-N 3.03Å | ||
| 30 | K | 76.1 | Confident | 74.1 | Confident | 196 Ų | 196 | 133.8 Ų | 133.8 | 85% | 0.852 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -52 | 119.8 | 176.8 | -72.9 | 176.9 | -178.1 | 170.2 | 0 | 107.8 | M28 V32 | M28-K30 PolarHBondContact O-N 3.07Å; K30-V32 PolarHBondContact O-N 3.47Å; K30-V32 VanDerWaalsContact O-N 3.13Å |
| 31 | R | 76 | Confident | 76.4 | Confident | 212 Ų | 212 | 130 Ų | 130 | 80% | 0.8 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 122.5 | 177.9 | -170.6 | 174.6 | -175.4 | 150.1 | 1.5 | 108.6 | K29 R33 | K29-R31 PolarHBondContact O-N 3.03Å; R31-R33 PolarHBondContact O-N 3.24Å |
| 32 | V | 86.2 | Confident | 78.4 | Confident | 122 Ų | 122 | 123.9 Ų | 123.9 | 74% | 0.739 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 132.6 | 178.9 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | K30 V34 | K30-V32 PolarHBondContact O-N 3.47Å; K30-V32 VanDerWaalsContact O-N 3.13Å; V32-V34 PolarHBondContact O-N 2.76Å |
| 33 | R | 85.5 | Confident | 80.3 | Confident | 236 Ų | 236 | 122.6 Ų | 122.6 | 89% | 0.891 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 116.2 | 173.5 | -67 | -174.3 | -178.5 | -173 | 1.8 | 107.9 | R31 | R31-R33 PolarHBondContact O-N 3.24Š|
| 34 | V | 87.3 | Confident | 82.1 | Confident | 110 Ų | 110 | 115.2 Ų | 115.2 | 67% | 0.667 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 132 | 171.9 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | V32 | V32-V34 PolarHBondContact O-N 2.76Š|
| 35 | L | 92.9 | Very high | 84.5 | Confident | 161 Ų | 161 | 116.8 Ų | 116.8 | 84% | 0.843 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 144.4 | 173 | -60.2 | 178.9 | 0 | 0 | 0 | 109.6 | ||
| 36 | F | 94.8 | Very high | 86.7 | Confident | 58 Ų | 58 | 118.7 Ų | 118.7 | 25% | 0.254 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -78.9 | 147.1 | 169.7 | -57.7 | -41.9 | 0 | 0 | 0 | 109.9 | Q40 V41 L44 L68 Q72 W76 | F36-Q40 HydrophobicContact CB-CB 4.14Å; F36-V41 HydrophobicContact CB-CG2 3.92Å; F36-L44 HydrophobicContact CD2-CD1 4.25Å; F36-L68 HydrophobicContact CD1-CD1 4.15Å; F36-L68 HydrophobicContact CD1-CD2 3.79Å; F36-L68 HydrophobicContact CE1-CD1 4.07Å; F36-L68 HydrophobicContact CE1-CD2 3.7Å; F36-L68 HydrophobicContact CZ-CD1 4.45Å; F36-Q72 HydrophobicContact CE1-CB 4.4Å; F36-Q72 HydrophobicContact CE1-CG 4.45Å; F36-Q72 HydrophobicContact CZ-CB 4.07Å; F36-Q72 HydrophobicContact CZ-CG 4.35Å; F36-W76 AromaticContact CD2-CD1 3.89Å; F36-W76 HydrophobicContact CE2-CB 4.32Å; F36-W76 AromaticContact CE2-CD1 3.71Å; F36-W76 HydrophobicContact CE2-CG 4.34Å |
| 37 | S | 96.9 | Very high | 88.7 | Confident | 63 Ų | 63 | 116.1 Ų | 116.1 | 44% | 0.441 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 153 | 171 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | E39 Q40 V41 | S37-E39 PolarHBondContact O-N 3.31Å; S37-E39 PolarHBondContact OG-N 3.13Å; S37-Q40 WeakPolarHBondContact O-CB 3.45Å; S37-Q40 PolarHBondContact O-N 3.33Å; S37-Q40 VanDerWaalsContact O-N 3.1Å; S37-V41 WeakPolarHBondContact O-CG2 3.37Å; S37-V41 PolarHBondContact O-N 3.28Å |
| 38 | A | 97.2 | Very high | 90.5 | Very high | 77 Ų | 77 | 104.7 Ų | 104.7 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56 | -36.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V41 T42 | A38-V41 PolarHBondContact O-N 3.26Å; A38-T42 WeakPolarHBondContact O-CB 3.5Å; A38-T42 PolarHBondContact O-N 3.48Å; A38-T42 PolarHBondContact O-OG1 2.77Å |
| 39 | E | 97.4 | Very high | 92.3 | Very high | 138 Ų | 138 | 106.5 Ų | 106.5 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.1 | -46.4 | 175.7 | -175.8 | -175.6 | -170 | 0 | 0 | 111.4 | S37 V41 T42 M43 | S37-E39 PolarHBondContact O-N 3.31Å; S37-E39 PolarHBondContact OG-N 3.13Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.29Å; E39-T42 PolarHBondContact O-N 3.33Å; E39-M43 HydrophobicContact CG-SD 4.49Å; E39-M43 WeakPolarHBondContact O-CG 3.48Å; E39-M43 PolarHBondContact O-N 2.77Å |
| 40 | Q | 97.7 | Very high | 93.6 | Very high | 41 Ų | 41 | 103.5 Ų | 103.5 | 19% | 0.192 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 177.4 | -69.2 | 174.8 | -39 | 0 | 0 | 110.8 | F36 S37 M43 L44 L66 | F36-Q40 HydrophobicContact CB-CB 4.14Å; S37-Q40 WeakPolarHBondContact O-CB 3.45Å; S37-Q40 PolarHBondContact O-N 3.33Å; S37-Q40 VanDerWaalsContact O-N 3.1Å; Q40-M43 PolarHBondContact O-N 2.95Å; Q40-L44 WeakPolarHBondContact O-CB 3.39Å; Q40-L44 WeakPolarHBondContact O-CD1 3.42Å; Q40-L44 VanDerWaalsContact O-CG 3.25Å; Q40-L44 WeakPolarHBondContact O-CG 3.4Å; Q40-L44 PolarHBondContact O-N 3.35Å; Q40-L66 PolarHBondContact NE2-O 3.4Å |
| 41 | V | 97.6 | Very high | 94.6 | Very high | 46 Ų | 46 | 97 Ų | 97 | 28% | 0.279 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | F36 S37 A38 E39 M43 L44 E45 | F36-V41 HydrophobicContact CB-CG2 3.92Å; S37-V41 WeakPolarHBondContact O-CG2 3.37Å; S37-V41 PolarHBondContact O-N 3.28Å; A38-V41 PolarHBondContact O-N 3.26Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-V41 PolarHBondContact O-N 3.29Å; V41-M43 PolarHBondContact O-N 3.01Å; V41-L44 WeakPolarHBondContact O-CB 3.45Å; V41-L44 PolarHBondContact O-N 3.09Å; V41-E45 HydrophobicContact CG1-CG 4.49Å; V41-E45 WeakPolarHBondContact O-CG 3.32Å; V41-E45 PolarHBondContact O-N 3.11Å |
| 42 | T | 98 | Very high | 95.6 | Very high | 69 Ų | 69 | 90.1 Ų | 90.1 | 42% | 0.423 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | A38 E39 E45 K46 | A38-T42 WeakPolarHBondContact O-CB 3.5Å; A38-T42 PolarHBondContact O-N 3.48Å; A38-T42 PolarHBondContact O-OG1 2.77Å; E39-T42 PolarHBondContact O-N 3.33Å; T42-E45 PolarHBondContact O-N 3.15Å; T42-K46 HydrophobicContact CG2-CD 4.42Å; T42-K46 WeakPolarHBondContact O-CG 3.46Å; T42-K46 PolarHBondContact O-N 2.81Å |
| 43 | M | 97.8 | Very high | 96.2 | Very high | 68 Ų | 68 | 91.8 Ų | 91.8 | 34% | 0.335 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66 | -41 | 177.2 | -70.1 | -178.2 | 69.1 | 0 | 0 | 112.3 | E39 Q40 V41 E45 K46 R47 F62 L66 | E39-M43 HydrophobicContact CG-SD 4.49Å; E39-M43 WeakPolarHBondContact O-CG 3.48Å; E39-M43 PolarHBondContact O-N 2.77Å; Q40-M43 PolarHBondContact O-N 2.95Å; V41-M43 PolarHBondContact O-N 3.01Å; M43-E45 VanDerWaalsContact C-N 3.32Å; M43-E45 PolarHBondContact O-N 3.36Å; M43-K46 PolarHBondContact O-N 2.92Å; M43-R47 PolarHBondContact O-N 3.31Å; M43-F62 HydrophobicContact CB-CZ 4.32Å; M43-L66 HydrophobicContact CB-CD2 3.72Å; M43-L66 HydrophobicContact CE-CD2 3.61Å; M43-L66 HydrophobicContact CG-CD2 4.16Å; M43-L66 HydrophobicContact SD-CD2 3.39Å; M43-L66 WeakPolarHBondContact SD-CD2 3.3Å |
| 44 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.4 | -43.9 | 174.5 | -78.4 | 158.9 | 0 | 0 | 0 | 111.2 | F36 Q40 V41 R47 F48 F62 L66 L68 V73 W76 F77 | F36-L44 HydrophobicContact CD2-CD1 4.25Å; Q40-L44 WeakPolarHBondContact O-CB 3.39Å; Q40-L44 WeakPolarHBondContact O-CD1 3.42Å; Q40-L44 VanDerWaalsContact O-CG 3.25Å; Q40-L44 WeakPolarHBondContact O-CG 3.4Å; Q40-L44 PolarHBondContact O-N 3.35Å; V41-L44 WeakPolarHBondContact O-CB 3.45Å; V41-L44 PolarHBondContact O-N 3.09Å; L44-R47 PolarHBondContact O-N 3.04Å; L44-F48 WeakPolarHBondContact O-CB 3.34Å; L44-F48 PolarHBondContact O-N 3.09Å; L44-F62 HydrophobicContact CD2-CD1 4.44Å; L44-F62 HydrophobicContact CD2-CE1 3.73Å; L44-F62 HydrophobicContact CG-CE1 4.23Å; L44-L66 HydrophobicContact CD1-CD1 4.36Å; L44-L66 HydrophobicContact CD2-CD1 3.99Å; L44-L66 HydrophobicContact CG-CD1 3.72Å; L44-L68 HydrophobicContact CD1-CD1 4.38Å; L44-V73 HydrophobicContact CD2-CG1 4.4Å; L44-W76 VanDerWaalsContact C-CH2 3.44Å; L44-W76 HydrophobicContact CB-CD2 3.89Å; L44-W76 HydrophobicContact CB-CE3 3.93Å; L44-W76 HydrophobicContact CB-CH2 3.62Å; L44-W76 HydrophobicContact CB-CZ2 3.54Å; L44-W76 HydrophobicContact CB-CZ3 3.81Å; L44-W76 HydrophobicContact CD1-CD2 3.96Å; L44-W76 HydrophobicContact CD1-CG 3.94Å; L44-W76 HydrophobicContact CD2-CB 4.5Å; L44-W76 HydrophobicContact CD2-CD2 3.84Å; L44-W76 HydrophobicContact CD2-CE3 3.74Å; L44-W76 HydrophobicContact CD2-CG 4.17Å; L44-W76 HydrophobicContact CD2-CZ3 4.3Å; L44-W76 HydrophobicContact CG-CD2 4.12Å; L44-W76 HydrophobicContact CG-CE3 4.32Å; L44-W76 WeakPolarHBondContact O-CH2 3.46Å; L44-F77 HydrophobicContact CD2-CE2 4.08Å |
| 45 | E | 98.2 | Very high | 97.2 | Very high | 88 Ų | 88 | 78.9 Ų | 78.9 | 41% | 0.411 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.3 | -44.9 | 176.9 | -73.8 | -170.3 | 174.8 | 0 | 0 | 112.9 | V41 T42 M43 R47 F48 Q49 W76 | V41-E45 HydrophobicContact CG1-CG 4.49Å; V41-E45 WeakPolarHBondContact O-CG 3.32Å; V41-E45 PolarHBondContact O-N 3.11Å; T42-E45 PolarHBondContact O-N 3.15Å; M43-E45 VanDerWaalsContact C-N 3.32Å; M43-E45 PolarHBondContact O-N 3.36Å; E45-R47 VanDerWaalsContact C-N 3.33Å; E45-R47 PolarHBondContact O-N 3.44Å; E45-F48 WeakPolarHBondContact O-CB 3.17Å; E45-F48 PolarHBondContact O-N 2.94Å; E45-F48 VanDerWaalsContact O-N 3.15Å; E45-Q49 WeakPolarHBondContact O-CG 3.07Å; E45-Q49 PolarHBondContact O-N 3.1Å; E45-W76 HydrophobicContact CG-CH2 3.98Å; E45-W76 HydrophobicContact CG-CZ2 3.87Å |
| 46 | K | 98 | Very high | 97.4 | Very high | 131 Ų | 131 | 74.2 Ų | 74.2 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -56.4 | -46.9 | 174.6 | -75 | 178.4 | 179 | -178.1 | 0 | 111.3 | T42 M43 F48 Q49 L50 | T42-K46 HydrophobicContact CG2-CD 4.42Å; T42-K46 WeakPolarHBondContact O-CG 3.46Å; T42-K46 PolarHBondContact O-N 2.81Å; M43-K46 PolarHBondContact O-N 2.92Å; K46-F48 VanDerWaalsContact C-N 3.34Å; K46-F48 PolarHBondContact O-N 2.9Å; K46-Q49 PolarHBondContact O-N 2.94Å; K46-L50 PolarHBondContact O-N 3.32Å |
| 47 | R | 97.7 | Very high | 97.5 | Very high | 61 Ų | 61 | 74.9 Ų | 74.9 | 23% | 0.23 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 177.4 | -171.5 | 60.4 | 160.3 | 140.9 | 4.9 | 111.7 | M43 L44 E45 L50 Q51 L54 E58 F62 F77 | M43-R47 PolarHBondContact O-N 3.31Å; L44-R47 PolarHBondContact O-N 3.04Å; E45-R47 VanDerWaalsContact C-N 3.33Å; E45-R47 PolarHBondContact O-N 3.44Å; R47-L50 PolarHBondContact O-N 2.9Å; R47-Q51 PolarHBondContact O-N 2.88Å; R47-L54 HydrophobicContact CG-CD2 4.16Å; R47-E58 IonicContact CZ-OE1 2.96Å; R47-E58 IonicContact NH2-OE1 3.54Å; R47-E58 PolarHBondContact NH2-OE1 3.44Å; R47-F62 HydrophobicContact CB-CE1 4.05Å; R47-F62 HydrophobicContact CB-CE2 4.05Å; R47-F62 HydrophobicContact CB-CZ 3.64Å; R47-F62 HydrophobicContact CG-CD1 4.48Å; R47-F62 HydrophobicContact CG-CD2 4.44Å; R47-F62 HydrophobicContact CG-CE1 4.22Å; R47-F62 HydrophobicContact CG-CE2 4.2Å; R47-F62 HydrophobicContact CG-CZ 4.08Å; R47-F77 HydrophobicContact CB-CZ 4.43Å; R47-F77 HydrophobicContact CG-CZ 4.16Å |
| 48 | F | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 74 Ų | 74 | 1% | 0.013 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.7 | -175.5 | -99.9 | 0 | 0 | 0 | 112.4 | L44 E45 K46 L50 Q51 H52 W76 F77 R80 R81 F84 | L44-F48 WeakPolarHBondContact O-CB 3.34Å; L44-F48 PolarHBondContact O-N 3.09Å; E45-F48 WeakPolarHBondContact O-CB 3.17Å; E45-F48 PolarHBondContact O-N 2.94Å; E45-F48 VanDerWaalsContact O-N 3.15Å; K46-F48 VanDerWaalsContact C-N 3.34Å; K46-F48 PolarHBondContact O-N 2.9Å; F48-L50 PolarHBondContact O-N 3.2Å; F48-Q51 CarbonylContact O-C 3.43Å; F48-Q51 VanDerWaalsContact O-C 3.28Å; F48-Q51 PolarHBondContact O-N 3.49Å; F48-H52 AromaticContact CD1-CD2 3.58Å; F48-H52 AromaticContact CD1-NE2 3.95Å; F48-H52 AromaticContact CD2-CD2 3.9Å; F48-H52 AromaticContact CE1-CD2 3.23Å; F48-H52 WeakPolarHBondContact CE1-CD2 3.44Å; F48-H52 AromaticContact CE1-NE2 3.48Å; F48-H52 WeakPolarHBondContact CE1-NE2 3.45Å; F48-H52 HydrophobicContact CE2-CB 3.96Å; F48-H52 AromaticContact CE2-CD2 3.58Å; F48-H52 AromaticContact CG-CD2 3.9Å; F48-H52 HydrophobicContact CZ-CB 4.23Å; F48-H52 AromaticContact CZ-CD2 3.23Å; F48-H52 WeakPolarHBondContact CZ-CD2 3.49Å; F48-H52 AromaticContact CZ-CG 3.85Å; F48-H52 AromaticContact CZ-NE2 3.83Å; F48-H52 PolarHBondContact O-CD2 3.16Å; F48-W76 HydrophobicContact CB-CH2 4.12Å; F48-W76 HydrophobicContact CB-CZ3 4Å; F48-W76 HydrophobicContact CD2-CZ3 4.38Å; F48-W76 HydrophobicContact CG-CZ3 4.38Å; F48-F77 HydrophobicContact CB-CE1 4.29Å; F48-F77 HydrophobicContact CB-CZ 4.5Å; F48-F77 AromaticContact CD2-CD1 3.88Å; F48-F77 HydrophobicContact CD2-CD1 3.88Å; F48-F77 AromaticContact CD2-CE1 3.85Å; F48-F77 HydrophobicContact CD2-CE1 3.85Å; F48-R80 HydrophobicContact CB-CG 4.46Å; F48-R80 HydrophobicContact CD1-CG 3.64Å; F48-R80 HydrophobicContact CD2-CB 4.18Å; F48-R80 HydrophobicContact CD2-CG 3.61Å; F48-R80 HydrophobicContact CE1-CG 3.65Å; F48-R80 HydrophobicContact CE2-CB 4.08Å; F48-R80 HydrophobicContact CE2-CG 3.63Å; F48-R80 HydrophobicContact CG-CG 3.62Å; F48-R80 HydrophobicContact CZ-CB 4.41Å; F48-R80 HydrophobicContact CZ-CG 3.64Å; F48-R81 HydrophobicContact CE2-CG 3.79Å; F48-R81 HydrophobicContact CZ-CG 4.23Å; F48-F84 HydrophobicContact CE1-CB 4.43Å; F48-F84 HydrophobicContact CE1-CD2 4.46Å; F48-F84 HydrophobicContact CE1-CG 4.49Å; F48-F84 HydrophobicContact CZ-CB 4.22Å; F48-F84 HydrophobicContact CZ-CG 4.46Å |
| 49 | Q | 97 | Very high | 97.5 | Very high | 149 Ų | 149 | 73.1 Ų | 73.1 | 70% | 0.696 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.9 | -34.2 | 177.4 | -73.1 | 173.4 | -30 | 0 | 0 | 112.6 | E45 K46 | E45-Q49 WeakPolarHBondContact O-CG 3.07Å; E45-Q49 PolarHBondContact O-N 3.1Å; K46-Q49 PolarHBondContact O-N 2.94Å |
| 50 | L | 97.2 | Very high | 97.6 | Very high | 144 Ų | 144 | 69.9 Ų | 69.9 | 75% | 0.754 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -76.4 | -42.1 | 175.3 | -61 | 174.7 | 0 | 0 | 0 | 111.8 | K46 R47 F48 | K46-L50 PolarHBondContact O-N 3.32Å; R47-L50 PolarHBondContact O-N 2.9Å; F48-L50 PolarHBondContact O-N 3.2Å |
| 51 | Q | 97.1 | Very high | 97.6 | Very high | 61 Ų | 61 | 72.4 Ų | 72.4 | 29% | 0.285 | 37% | 0.37 | S | S | . | . | trans | -149.8 | 111.5 | -172.8 | -171.1 | 175.7 | -52.7 | 0 | 0 | 111.2 | R47 F48 Y53 E58 F77 | R47-Q51 PolarHBondContact O-N 2.88Å; F48-Q51 CarbonylContact O-C 3.43Å; F48-Q51 VanDerWaalsContact O-C 3.28Å; F48-Q51 PolarHBondContact O-N 3.49Å; Q51-Y53 VanDerWaalsContact C-N 3.26Å; Q51-Y53 VanDerWaalsContact CG-O 3.24Å; Q51-Y53 WeakPolarHBondContact CG-O 3.25Å; Q51-Y53 PolarHBondContact NE2-O 2.91Å; Q51-Y53 PolarHBondContact O-N 3.1Å; Q51-E58 VanDerWaalsContact NE2-CD 3.32Å; Q51-E58 PolarHBondContact NE2-OE1 3.02Å; Q51-E58 PolarHBondContact NE2-OE2 2.99Å; Q51-E58 PolarHBondContact OE1-OE1 2.9Å; Q51-F77 WeakPolarHBondContact O-CE1 3.49Å | ||
| 52 | H | 97 | Very high | 97.5 | Very high | 67 Ų | 67 | 70.9 Ų | 70.9 | 31% | 0.31 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -72.6 | -14.7 | -178.3 | -65.6 | 151.7 | 0 | 0 | 0 | 114.5 | F48 R81 F84 | F48-H52 AromaticContact CD1-CD2 3.58Å; F48-H52 AromaticContact CD1-NE2 3.95Å; F48-H52 AromaticContact CD2-CD2 3.9Å; F48-H52 AromaticContact CE1-CD2 3.23Å; F48-H52 WeakPolarHBondContact CE1-CD2 3.44Å; F48-H52 AromaticContact CE1-NE2 3.48Å; F48-H52 WeakPolarHBondContact CE1-NE2 3.45Å; F48-H52 HydrophobicContact CE2-CB 3.96Å; F48-H52 AromaticContact CE2-CD2 3.58Å; F48-H52 AromaticContact CG-CD2 3.9Å; F48-H52 HydrophobicContact CZ-CB 4.23Å; F48-H52 AromaticContact CZ-CD2 3.23Å; F48-H52 WeakPolarHBondContact CZ-CD2 3.49Å; F48-H52 AromaticContact CZ-CG 3.85Å; F48-H52 AromaticContact CZ-NE2 3.83Å; F48-H52 PolarHBondContact O-CD2 3.16Å; H52-R81 WeakPolarHBondContact O-CD 3.25Å; H52-F84 AromaticContact CE1-CZ 3.96Å |
| 53 | Y | 98 | Very high | 97.5 | Very high | 157 Ų | 157 | 67.7 Ų | 67.7 | 62% | 0.616 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -134.8 | 114.8 | -176.4 | -64.7 | -104.4 | 0 | 0 | 0 | 110.1 | Q51 R81 | Q51-Y53 VanDerWaalsContact C-N 3.26Å; Q51-Y53 VanDerWaalsContact CG-O 3.24Å; Q51-Y53 WeakPolarHBondContact CG-O 3.25Å; Q51-Y53 PolarHBondContact NE2-O 2.91Å; Q51-Y53 PolarHBondContact O-N 3.1Å; Y53-R81 VanDerWaalsContact CD1-NH1 3.26Å |
| 54 | L | 96.6 | Very high | 97.5 | Very high | 18 Ų | 18 | 72.6 Ų | 72.6 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | trans | -92.7 | 135.3 | 176.4 | -64.2 | 178.5 | 0 | 0 | 0 | 111.5 | R47 E58 R59 F62 V73 F77 | R47-L54 HydrophobicContact CG-CD2 4.16Å; L54-E58 HydrophobicContact CB-CB 4.49Å; L54-E58 HydrophobicContact CD2-CB 4.29Å; L54-R59 HydrophobicContact CB-CB 4.34Å; L54-R59 PolarHBondContact O-NH2 3.46Å; L54-F62 HydrophobicContact CD1-CD1 4.44Å; L54-V73 HydrophobicContact CD1-CG1 4.06Å; L54-F77 HydrophobicContact CD1-CD1 4.47Å; L54-F77 HydrophobicContact CD1-CD2 3.99Å; L54-F77 HydrophobicContact CD1-CE1 3.95Å; L54-F77 HydrophobicContact CD1-CE2 3.4Å; L54-F77 HydrophobicContact CD1-CG 4.5Å; L54-F77 HydrophobicContact CD1-CZ 3.38Å; L54-F77 HydrophobicContact CD2-CE1 4.45Å; L54-F77 HydrophobicContact CD2-CZ 4.33Å; L54-F77 HydrophobicContact CG-CD1 4.25Å; L54-F77 HydrophobicContact CG-CE1 3.74Å; L54-F77 HydrophobicContact CG-CE2 4.14Å; L54-F77 HydrophobicContact CG-CZ 3.69Å | ||
| 55 | S | 97.2 | Very high | 97.5 | Very high | 57 Ų | 57 | 80.3 Ų | 80.3 | 40% | 0.399 | 39% | 0.389 | S | S | . | . | trans | -63.7 | 170.4 | 166.4 | 69.1 | 0 | 0 | 0 | 0 | 111.2 | E58 R59 | S55-E58 VanDerWaalsContact CB-OE2 3.29Å; S55-E58 WeakPolarHBondContact CB-OE2 3.49Å; S55-E58 PolarHBondContact N-OE2 2.83Å; S55-E58 WeakPolarHBondContact OG-CB 3.46Å; S55-E58 VanDerWaalsContact OG-CD 3.32Å; S55-E58 WeakPolarHBondContact OG-CG 3.5Å; S55-E58 PolarHBondContact OG-N 2.97Å; S55-E58 PolarHBondContact OG-OE2 3.49Å; S55-R59 VanDerWaalsContact O-CB 3.28Å; S55-R59 WeakPolarHBondContact O-CB 3.39Å; S55-R59 PolarHBondContact O-N 3.26Å; S55-R59 VanDerWaalsContact O-N 3.12Å | ||
| 56 | A | 96.8 | Very high | 97.4 | Very high | 62 Ų | 62 | 76.6 Ų | 76.6 | 51% | 0.512 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E58 R59 D60 | A56-E58 PolarHBondContact O-N 3.3Å; A56-R59 WeakPolarHBondContact O-CB 3.48Å; A56-R59 PolarHBondContact O-N 3.32Å; A56-D60 PolarHBondContact O-N 2.93Å |
| 57 | A | 97.4 | Very high | 97.3 | Very high | 72 Ų | 72 | 79.4 Ų | 79.4 | 60% | 0.595 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -60.9 | -47 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R59 D60 E61 | A57-R59 VanDerWaalsContact C-N 3.26Å; A57-R59 PolarHBondContact O-N 3.3Å; A57-D60 PolarHBondContact O-N 3.41Å; A57-E61 PolarHBondContact O-N 2.92Å |
| 58 | E | 97.4 | Very high | 97.2 | Very high | 44 Ų | 44 | 77.7 Ų | 77.7 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.5 | -34.8 | 178.8 | -67.8 | 173 | 104.8 | 0 | 0 | 112.4 | R47 Q51 L54 S55 A56 F62 | R47-E58 IonicContact CZ-OE1 2.96Å; R47-E58 IonicContact NH2-OE1 3.54Å; R47-E58 PolarHBondContact NH2-OE1 3.44Å; Q51-E58 VanDerWaalsContact NE2-CD 3.32Å; Q51-E58 PolarHBondContact NE2-OE1 3.02Å; Q51-E58 PolarHBondContact NE2-OE2 2.99Å; Q51-E58 PolarHBondContact OE1-OE1 2.9Å; L54-E58 HydrophobicContact CB-CB 4.49Å; L54-E58 HydrophobicContact CD2-CB 4.29Å; S55-E58 VanDerWaalsContact CB-OE2 3.29Å; S55-E58 WeakPolarHBondContact CB-OE2 3.49Å; S55-E58 PolarHBondContact N-OE2 2.83Å; S55-E58 WeakPolarHBondContact OG-CB 3.46Å; S55-E58 VanDerWaalsContact OG-CD 3.32Å; S55-E58 WeakPolarHBondContact OG-CG 3.5Å; S55-E58 PolarHBondContact OG-N 2.97Å; S55-E58 PolarHBondContact OG-OE2 3.49Å; A56-E58 PolarHBondContact O-N 3.3Å; E58-F62 WeakPolarHBondContact O-CB 3.49Å; E58-F62 PolarHBondContact O-N 3.39Å |
| 59 | R | 97.9 | Very high | 97.2 | Very high | 60 Ų | 60 | 81.2 Ų | 81.2 | 23% | 0.226 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.2 | -43.8 | 177.7 | -169.9 | -170.5 | -45.9 | 144.8 | 8.6 | 111.1 | L54 S55 A56 A57 F62 A63 S70 V73 | L54-R59 HydrophobicContact CB-CB 4.34Å; L54-R59 PolarHBondContact O-NH2 3.46Å; S55-R59 VanDerWaalsContact O-CB 3.28Å; S55-R59 WeakPolarHBondContact O-CB 3.39Å; S55-R59 PolarHBondContact O-N 3.26Å; S55-R59 VanDerWaalsContact O-N 3.12Å; A56-R59 WeakPolarHBondContact O-CB 3.48Å; A56-R59 PolarHBondContact O-N 3.32Å; A57-R59 VanDerWaalsContact C-N 3.26Å; A57-R59 PolarHBondContact O-N 3.3Å; R59-F62 PolarHBondContact O-N 3.31Å; R59-A63 WeakPolarHBondContact O-CB 3.23Å; R59-A63 PolarHBondContact O-N 3.37Å; R59-S70 WeakPolarHBondContact CD-O 3.44Å; R59-V73 HydrophobicContact CG-CB 3.9Å; R59-V73 HydrophobicContact CG-CG1 3.77Å |
| 60 | D | 97.9 | Very high | 97.2 | Very high | 69 Ų | 69 | 75.9 Ų | 75.9 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 179.2 | -67.2 | -22.4 | 0 | 0 | 0 | 111.1 | A56 A57 A63 K64 S70 | A56-D60 PolarHBondContact O-N 2.93Å; A57-D60 PolarHBondContact O-N 3.41Å; D60-A63 PolarHBondContact O-N 3.32Å; D60-K64 WeakPolarHBondContact O-CG 3.48Å; D60-K64 PolarHBondContact O-N 3.15Å; D60-K64 VanDerWaalsContact O-N 3.14Å; D60-S70 WeakPolarHBondContact OD1-CB 3.42Å; D60-S70 PolarHBondContact OD1-OG 2.8Å |
| 61 | E | 97.7 | Very high | 97.1 | Very high | 95 Ų | 95 | 74.1 Ų | 74.1 | 44% | 0.444 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 175.1 | -172.5 | -175.6 | -174.9 | 0 | 0 | 111.7 | A57 A63 K64 R65 | A57-E61 PolarHBondContact O-N 2.92Å; E61-A63 VanDerWaalsContact C-N 3.33Å; E61-A63 PolarHBondContact O-N 3.21Å; E61-K64 PolarHBondContact O-N 3.41Å; E61-R65 PolarHBondContact O-N 2.96Å; E61-R65 IonicContact OE1-CZ 3.92Å; E61-R65 IonicContact OE1-NE 3.75Å; E61-R65 IonicContact OE1-NH2 2.64Å; E61-R65 PolarHBondContact OE1-NH2 3.25Å |
| 62 | F | 97.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 74 Ų | 74 | 6% | 0.061 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.6 | -36.4 | -179.2 | -167.3 | -118.7 | 0 | 0 | 0 | 112.5 | M43 L44 R47 L54 E58 R59 K64 R65 L66 V73 | M43-F62 HydrophobicContact CB-CZ 4.32Å; L44-F62 HydrophobicContact CD2-CD1 4.44Å; L44-F62 HydrophobicContact CD2-CE1 3.73Å; L44-F62 HydrophobicContact CG-CE1 4.23Å; R47-F62 HydrophobicContact CB-CE1 4.05Å; R47-F62 HydrophobicContact CB-CE2 4.05Å; R47-F62 HydrophobicContact CB-CZ 3.64Å; R47-F62 HydrophobicContact CG-CD1 4.48Å; R47-F62 HydrophobicContact CG-CD2 4.44Å; R47-F62 HydrophobicContact CG-CE1 4.22Å; R47-F62 HydrophobicContact CG-CE2 4.2Å; R47-F62 HydrophobicContact CG-CZ 4.08Å; L54-F62 HydrophobicContact CD1-CD1 4.44Å; E58-F62 WeakPolarHBondContact O-CB 3.49Å; E58-F62 PolarHBondContact O-N 3.39Å; R59-F62 PolarHBondContact O-N 3.31Å; F62-K64 PolarHBondContact O-N 3Å; F62-R65 PolarHBondContact O-N 3.37Å; F62-L66 HydrophobicContact CD1-CD1 3.96Å; F62-L66 HydrophobicContact CE1-CD1 3.4Å; F62-L66 HydrophobicContact CE1-CG 4.27Å; F62-L66 HydrophobicContact CE2-CD1 4.37Å; F62-L66 HydrophobicContact CE2-CG 4.47Å; F62-L66 HydrophobicContact CZ-CD1 3.63Å; F62-L66 HydrophobicContact CZ-CG 4.19Å; F62-L66 PolarHBondContact O-N 2.93Å; F62-L66 VanDerWaalsContact O-N 3.12Å; F62-V73 HydrophobicContact CD1-CG1 4.15Å |
| 63 | A | 97.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 70.9 Ų | 70.9 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R59 D60 E61 R65 L66 K67 L68 V73 | R59-A63 WeakPolarHBondContact O-CB 3.23Å; R59-A63 PolarHBondContact O-N 3.37Å; D60-A63 PolarHBondContact O-N 3.32Å; E61-A63 VanDerWaalsContact C-N 3.33Å; E61-A63 PolarHBondContact O-N 3.21Å; A63-R65 PolarHBondContact O-N 3.47Å; A63-L66 PolarHBondContact O-N 2.94Å; A63-K67 PolarHBondContact O-N 3.38Å; A63-L68 CarbonylContact C-O 3.5Å; A63-L68 WeakPolarHBondContact CB-O 3.23Å; A63-L68 PolarHBondContact O-N 2.99Å; A63-L68 VanDerWaalsContact O-O 3.12Å; A63-V73 HydrophobicContact CB-CG2 3.86Å |
| 64 | K | 97.5 | Very high | 97.1 | Very high | 171 Ų | 171 | 68.3 Ų | 68.3 | 74% | 0.743 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.8 | -46 | 175 | -70.4 | 172.2 | -175 | 179.4 | 0 | 111.9 | D60 E61 F62 L66 K67 | D60-K64 WeakPolarHBondContact O-CG 3.48Å; D60-K64 PolarHBondContact O-N 3.15Å; D60-K64 VanDerWaalsContact O-N 3.14Å; E61-K64 PolarHBondContact O-N 3.41Å; F62-K64 PolarHBondContact O-N 3Å; K64-L66 VanDerWaalsContact C-N 3.31Å; K64-L66 PolarHBondContact O-N 3.29Å; K64-K67 PolarHBondContact O-N 2.96Å |
| 65 | R | 97 | Very high | 97.1 | Very high | 161 Ų | 161 | 70.3 Ų | 70.3 | 61% | 0.608 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.3 | -39 | 179.1 | -64.5 | 179.9 | -167.7 | -173 | 2.1 | 112.5 | E61 F62 A63 | E61-R65 PolarHBondContact O-N 2.96Å; E61-R65 IonicContact OE1-CZ 3.92Å; E61-R65 IonicContact OE1-NE 3.75Å; E61-R65 IonicContact OE1-NH2 2.64Å; E61-R65 PolarHBondContact OE1-NH2 3.25Å; F62-R65 PolarHBondContact O-N 3.37Å; A63-R65 PolarHBondContact O-N 3.47Å |
| 66 | L | 96.2 | Very high | 97.1 | Very high | 10 Ų | 10 | 69.1 Ų | 69.1 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -87.2 | -1.3 | 179.9 | -65.2 | -175.9 | 0 | 0 | 0 | 114.7 | Q40 M43 L44 F62 A63 K64 L68 | Q40-L66 PolarHBondContact NE2-O 3.4Å; M43-L66 HydrophobicContact CB-CD2 3.72Å; M43-L66 HydrophobicContact CE-CD2 3.61Å; M43-L66 HydrophobicContact CG-CD2 4.16Å; M43-L66 HydrophobicContact SD-CD2 3.39Å; M43-L66 WeakPolarHBondContact SD-CD2 3.3Å; L44-L66 HydrophobicContact CD1-CD1 4.36Å; L44-L66 HydrophobicContact CD2-CD1 3.99Å; L44-L66 HydrophobicContact CG-CD1 3.72Å; F62-L66 HydrophobicContact CD1-CD1 3.96Å; F62-L66 HydrophobicContact CE1-CD1 3.4Å; F62-L66 HydrophobicContact CE1-CG 4.27Å; F62-L66 HydrophobicContact CE2-CD1 4.37Å; F62-L66 HydrophobicContact CE2-CG 4.47Å; F62-L66 HydrophobicContact CZ-CD1 3.63Å; F62-L66 HydrophobicContact CZ-CG 4.19Å; F62-L66 PolarHBondContact O-N 2.93Å; F62-L66 VanDerWaalsContact O-N 3.12Å; A63-L66 PolarHBondContact O-N 2.94Å; K64-L66 VanDerWaalsContact C-N 3.31Å; K64-L66 PolarHBondContact O-N 3.29Å; L66-L68 HydrophobicContact CB-CB 4.4Å; L66-L68 HydrophobicContact CB-CD1 4.04Å; L66-L68 HydrophobicContact CB-CG 3.99Å; L66-L68 HydrophobicContact CD1-CD1 4.22Å; L66-L68 PolarHBondContact O-N 3.39Å |
| 67 | K | 96.9 | Very high | 97.2 | Very high | 191 Ų | 191 | 66.6 Ų | 66.6 | 83% | 0.83 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 40.6 | -170.4 | -54.8 | 179.5 | -178.3 | 176.2 | 0 | 112 | A63 K64 | A63-K67 PolarHBondContact O-N 3.38Å; K64-K67 PolarHBondContact O-N 2.96Å |
| 68 | L | 95.4 | Very high | 97.2 | Very high | 25 Ų | 25 | 67.9 Ų | 67.9 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | trans | -114.6 | 166.5 | 175.3 | -64.9 | 179.4 | 0 | 0 | 0 | 110 | F36 L44 A63 L66 V73 | F36-L68 HydrophobicContact CD1-CD1 4.15Å; F36-L68 HydrophobicContact CD1-CD2 3.79Å; F36-L68 HydrophobicContact CE1-CD1 4.07Å; F36-L68 HydrophobicContact CE1-CD2 3.7Å; F36-L68 HydrophobicContact CZ-CD1 4.45Å; L44-L68 HydrophobicContact CD1-CD1 4.38Å; A63-L68 CarbonylContact C-O 3.5Å; A63-L68 WeakPolarHBondContact CB-O 3.23Å; A63-L68 PolarHBondContact O-N 2.99Å; A63-L68 VanDerWaalsContact O-O 3.12Å; L66-L68 HydrophobicContact CB-CB 4.4Å; L66-L68 HydrophobicContact CB-CD1 4.04Å; L66-L68 HydrophobicContact CB-CG 3.99Å; L66-L68 HydrophobicContact CD1-CD1 4.22Å; L66-L68 PolarHBondContact O-N 3.39Å; L68-V73 HydrophobicContact CB-CG2 4.3Å | ||
| 69 | T | 96.9 | Very high | 97.2 | Very high | 76 Ų | 76 | 70 Ų | 70 | 47% | 0.466 | 33% | 0.325 | S | S | . | . | trans | -83.5 | 148 | 170.6 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | H71 Q72 V73 | T69-H71 PolarHBondContact O-N 3.48Å; T69-H71 VanDerWaalsContact O-N 3.12Å; T69-Q72 WeakPolarHBondContact O-CB 3.42Å; T69-Q72 PolarHBondContact O-N 3.48Å; T69-Q72 WeakPolarHBondContact OG1-CB 3.31Å; T69-Q72 VanDerWaalsContact OG1-CD 3.29Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.36Å; T69-Q72 PolarHBondContact OG1-N 2.92Å; T69-Q72 PolarHBondContact OG1-OE1 3.29Å; T69-V73 PolarHBondContact O-N 2.91Å; T69-V73 VanDerWaalsContact O-N 3.1Å | ||
| 70 | S | 97.1 | Very high | 97.2 | Very high | 37 Ų | 37 | 70.1 Ų | 70.1 | 26% | 0.259 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.3 | -32.7 | 174.6 | -48.7 | 0 | 0 | 0 | 0 | 112.3 | R59 D60 V73 K74 | R59-S70 WeakPolarHBondContact CD-O 3.44Å; D60-S70 WeakPolarHBondContact OD1-CB 3.42Å; D60-S70 PolarHBondContact OD1-OG 2.8Å; S70-V73 PolarHBondContact O-N 3.43Å; S70-K74 WeakPolarHBondContact O-CB 3.43Å; S70-K74 PolarHBondContact O-N 2.7Å |
| 71 | H | 96.8 | Very high | 97.2 | Very high | 107 Ų | 107 | 70.9 Ų | 70.9 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 173.4 | -178.1 | -112.8 | 0 | 0 | 0 | 112.6 | T69 V73 K74 I75 | T69-H71 PolarHBondContact O-N 3.48Å; T69-H71 VanDerWaalsContact O-N 3.12Å; H71-V73 VanDerWaalsContact C-N 3.33Å; H71-V73 PolarHBondContact O-N 2.87Å; H71-K74 WeakPolarHBondContact O-CB 3.43Å; H71-K74 PolarHBondContact O-N 3.25Å; H71-I75 WeakPolarHBondContact O-CG1 3.24Å; H71-I75 PolarHBondContact O-N 2.79Å |
| 72 | Q | 96.5 | Very high | 97.1 | Very high | 60 Ų | 60 | 70.3 Ų | 70.3 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 175.5 | -78.2 | 164.3 | -48.3 | 0 | 0 | 111.8 | F36 T69 I75 W76 | F36-Q72 HydrophobicContact CE1-CB 4.4Å; F36-Q72 HydrophobicContact CE1-CG 4.45Å; F36-Q72 HydrophobicContact CZ-CB 4.07Å; F36-Q72 HydrophobicContact CZ-CG 4.35Å; T69-Q72 WeakPolarHBondContact O-CB 3.42Å; T69-Q72 PolarHBondContact O-N 3.48Å; T69-Q72 WeakPolarHBondContact OG1-CB 3.31Å; T69-Q72 VanDerWaalsContact OG1-CD 3.29Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.36Å; T69-Q72 PolarHBondContact OG1-N 2.92Å; T69-Q72 PolarHBondContact OG1-OE1 3.29Å; Q72-I75 PolarHBondContact O-N 3.03Å; Q72-W76 WeakPolarHBondContact O-CB 3.42Å; Q72-W76 PolarHBondContact O-N 3.37Å |
| 73 | V | 97.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | L44 L54 R59 F62 A63 L68 T69 S70 H71 I75 W76 F77 | L44-V73 HydrophobicContact CD2-CG1 4.4Å; L54-V73 HydrophobicContact CD1-CG1 4.06Å; R59-V73 HydrophobicContact CG-CB 3.9Å; R59-V73 HydrophobicContact CG-CG1 3.77Å; F62-V73 HydrophobicContact CD1-CG1 4.15Å; A63-V73 HydrophobicContact CB-CG2 3.86Å; L68-V73 HydrophobicContact CB-CG2 4.3Å; T69-V73 PolarHBondContact O-N 2.91Å; T69-V73 VanDerWaalsContact O-N 3.1Å; S70-V73 PolarHBondContact O-N 3.43Å; H71-V73 VanDerWaalsContact C-N 3.33Å; H71-V73 PolarHBondContact O-N 2.87Å; V73-I75 PolarHBondContact O-N 3.47Å; V73-W76 PolarHBondContact O-N 2.9Å; V73-F77 HydrophobicContact CG1-CD2 3.72Å; V73-F77 HydrophobicContact CG1-CE2 3.83Å; V73-F77 WeakPolarHBondContact O-CD2 3.38Å; V73-F77 PolarHBondContact O-N 3.49Å |
| 74 | K | 97.4 | Very high | 96.7 | Very high | 102 Ų | 102 | 79.7 Ų | 79.7 | 44% | 0.443 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -54.2 | -51 | 175.2 | 179.5 | -174.8 | 175.4 | -176.1 | 0 | 111.5 | S70 H71 F77 Q78 | S70-K74 WeakPolarHBondContact O-CB 3.43Å; S70-K74 PolarHBondContact O-N 2.7Å; H71-K74 WeakPolarHBondContact O-CB 3.43Å; H71-K74 PolarHBondContact O-N 3.25Å; K74-F77 PolarHBondContact O-N 2.91Å; K74-Q78 WeakPolarHBondContact O-CB 3.48Å; K74-Q78 PolarHBondContact O-N 3.26Å |
| 75 | I | 96.6 | Very high | 96.5 | Very high | 60 Ų | 60 | 76.6 Ų | 76.6 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | -179.7 | -64.4 | -58.6 | 0 | 0 | 0 | 111.1 | H71 Q72 V73 Q78 N79 | H71-I75 WeakPolarHBondContact O-CG1 3.24Å; H71-I75 PolarHBondContact O-N 2.79Å; Q72-I75 PolarHBondContact O-N 3.03Å; V73-I75 PolarHBondContact O-N 3.47Å; I75-Q78 WeakPolarHBondContact O-CB 3.49Å; I75-Q78 PolarHBondContact O-N 2.96Å; I75-N79 WeakPolarHBondContact O-CB 3.37Å; I75-N79 PolarHBondContact O-N 3.41Å; I75-N79 PolarHBondContact O-ND2 3.44Å |
| 76 | W | 97.9 | Very high | 96.1 | Very high | 33 Ų | 33 | 72.1 Ų | 72.1 | 13% | 0.125 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 176.9 | -172.6 | 96.4 | 0 | 0 | 0 | 111.4 | F36 L44 E45 F48 Q72 V73 Q78 N79 R80 | F36-W76 AromaticContact CD2-CD1 3.89Å; F36-W76 HydrophobicContact CE2-CB 4.32Å; F36-W76 AromaticContact CE2-CD1 3.71Å; F36-W76 HydrophobicContact CE2-CG 4.34Å; L44-W76 VanDerWaalsContact C-CH2 3.44Å; L44-W76 HydrophobicContact CB-CD2 3.89Å; L44-W76 HydrophobicContact CB-CE3 3.93Å; L44-W76 HydrophobicContact CB-CH2 3.62Å; L44-W76 HydrophobicContact CB-CZ2 3.54Å; L44-W76 HydrophobicContact CB-CZ3 3.81Å; L44-W76 HydrophobicContact CD1-CD2 3.96Å; L44-W76 HydrophobicContact CD1-CG 3.94Å; L44-W76 HydrophobicContact CD2-CB 4.5Å; L44-W76 HydrophobicContact CD2-CD2 3.84Å; L44-W76 HydrophobicContact CD2-CE3 3.74Å; L44-W76 HydrophobicContact CD2-CG 4.17Å; L44-W76 HydrophobicContact CD2-CZ3 4.3Å; L44-W76 HydrophobicContact CG-CD2 4.12Å; L44-W76 HydrophobicContact CG-CE3 4.32Å; L44-W76 WeakPolarHBondContact O-CH2 3.46Å; E45-W76 HydrophobicContact CG-CH2 3.98Å; E45-W76 HydrophobicContact CG-CZ2 3.87Å; F48-W76 HydrophobicContact CB-CH2 4.12Å; F48-W76 HydrophobicContact CB-CZ3 4Å; F48-W76 HydrophobicContact CD2-CZ3 4.38Å; F48-W76 HydrophobicContact CG-CZ3 4.38Å; Q72-W76 WeakPolarHBondContact O-CB 3.42Å; Q72-W76 PolarHBondContact O-N 3.37Å; V73-W76 PolarHBondContact O-N 2.9Å; W76-Q78 VanDerWaalsContact C-N 3.31Å; W76-Q78 PolarHBondContact O-N 3.22Å; W76-N79 PolarHBondContact O-N 3Å; W76-R80 HydrophobicContact CD2-CB 4.48Å; W76-R80 HydrophobicContact CE3-CB 4.03Å; W76-R80 HydrophobicContact CH2-CB 3.96Å; W76-R80 HydrophobicContact CH2-CG 3.65Å; W76-R80 HydrophobicContact CZ2-CB 4.42Å; W76-R80 HydrophobicContact CZ2-CG 4.31Å; W76-R80 HydrophobicContact CZ3-CB 3.76Å; W76-R80 HydrophobicContact CZ3-CG 3.81Å; W76-R80 VanDerWaalsContact O-CB 3.31Å; W76-R80 WeakPolarHBondContact O-CB 3.4Å; W76-R80 PolarHBondContact O-N 3.42Å |
| 77 | F | 98.3 | Very high | 95.6 | Very high | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.035 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -35.7 | 176.9 | -91.6 | -99.4 | 0 | 0 | 0 | 112.6 | L44 R47 F48 Q51 L54 V73 K74 R81 | L44-F77 HydrophobicContact CD2-CE2 4.08Å; R47-F77 HydrophobicContact CB-CZ 4.43Å; R47-F77 HydrophobicContact CG-CZ 4.16Å; F48-F77 HydrophobicContact CB-CE1 4.29Å; F48-F77 HydrophobicContact CB-CZ 4.5Å; F48-F77 AromaticContact CD2-CD1 3.88Å; F48-F77 HydrophobicContact CD2-CD1 3.88Å; F48-F77 AromaticContact CD2-CE1 3.85Å; F48-F77 HydrophobicContact CD2-CE1 3.85Å; Q51-F77 WeakPolarHBondContact O-CE1 3.49Å; L54-F77 HydrophobicContact CD1-CD1 4.47Å; L54-F77 HydrophobicContact CD1-CD2 3.99Å; L54-F77 HydrophobicContact CD1-CE1 3.95Å; L54-F77 HydrophobicContact CD1-CE2 3.4Å; L54-F77 HydrophobicContact CD1-CG 4.5Å; L54-F77 HydrophobicContact CD1-CZ 3.38Å; L54-F77 HydrophobicContact CD2-CE1 4.45Å; L54-F77 HydrophobicContact CD2-CZ 4.33Å; L54-F77 HydrophobicContact CG-CD1 4.25Å; L54-F77 HydrophobicContact CG-CE1 3.74Å; L54-F77 HydrophobicContact CG-CE2 4.14Å; L54-F77 HydrophobicContact CG-CZ 3.69Å; V73-F77 HydrophobicContact CG1-CD2 3.72Å; V73-F77 HydrophobicContact CG1-CE2 3.83Å; V73-F77 WeakPolarHBondContact O-CD2 3.38Å; V73-F77 PolarHBondContact O-N 3.49Å; K74-F77 PolarHBondContact O-N 2.91Å; F77-R81 WeakPolarHBondContact O-CB 3.29Å; F77-R81 VanDerWaalsContact O-CG 3.3Å; F77-R81 WeakPolarHBondContact O-CG 3.34Å; F77-R81 PolarHBondContact O-N 3.28Å; F77-R81 PolarHBondContact O-NE 2.97Å |
| 78 | Q | 97.4 | Very high | 94.7 | Very high | 99 Ų | 99 | 74.9 Ų | 74.9 | 46% | 0.463 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.1 | -50.4 | 173.2 | -174.6 | 177.8 | 12.7 | 0 | 0 | 111.5 | K74 I75 W76 R80 R81 Y82 | K74-Q78 WeakPolarHBondContact O-CB 3.48Å; K74-Q78 PolarHBondContact O-N 3.26Å; I75-Q78 WeakPolarHBondContact O-CB 3.49Å; I75-Q78 PolarHBondContact O-N 2.96Å; W76-Q78 VanDerWaalsContact C-N 3.31Å; W76-Q78 PolarHBondContact O-N 3.22Å; Q78-R80 VanDerWaalsContact C-N 3.3Å; Q78-R80 PolarHBondContact O-N 2.93Å; Q78-R81 PolarHBondContact O-N 3.44Å; Q78-Y82 PolarHBondContact O-N 2.97Å |
| 79 | N | 97.5 | Very high | 93.9 | Very high | 88 Ų | 88 | 77.7 Ų | 77.7 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 177.5 | -71.1 | -19.1 | 0 | 0 | 0 | 111.7 | I75 W76 Y82 K83 | I75-N79 WeakPolarHBondContact O-CB 3.37Å; I75-N79 PolarHBondContact O-N 3.41Å; I75-N79 PolarHBondContact O-ND2 3.44Å; W76-N79 PolarHBondContact O-N 3Å; N79-Y82 WeakPolarHBondContact O-CB 3.47Å; N79-Y82 PolarHBondContact O-N 2.8Å; N79-K83 WeakPolarHBondContact O-CG 3.45Å; N79-K83 PolarHBondContact O-N 2.92Å |
| 80 | R | 97.6 | Very high | 92.8 | Very high | 64 Ų | 64 | 77.6 Ų | 77.6 | 24% | 0.242 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 179.2 | -173.7 | 65.6 | -173.1 | 91.6 | -7.3 | 112.1 | F48 W76 Q78 Y82 K83 F84 | F48-R80 HydrophobicContact CB-CG 4.46Å; F48-R80 HydrophobicContact CD1-CG 3.64Å; F48-R80 HydrophobicContact CD2-CB 4.18Å; F48-R80 HydrophobicContact CD2-CG 3.61Å; F48-R80 HydrophobicContact CE1-CG 3.65Å; F48-R80 HydrophobicContact CE2-CB 4.08Å; F48-R80 HydrophobicContact CE2-CG 3.63Å; F48-R80 HydrophobicContact CG-CG 3.62Å; F48-R80 HydrophobicContact CZ-CB 4.41Å; F48-R80 HydrophobicContact CZ-CG 3.64Å; W76-R80 HydrophobicContact CD2-CB 4.48Å; W76-R80 HydrophobicContact CE3-CB 4.03Å; W76-R80 HydrophobicContact CH2-CB 3.96Å; W76-R80 HydrophobicContact CH2-CG 3.65Å; W76-R80 HydrophobicContact CZ2-CB 4.42Å; W76-R80 HydrophobicContact CZ2-CG 4.31Å; W76-R80 HydrophobicContact CZ3-CB 3.76Å; W76-R80 HydrophobicContact CZ3-CG 3.81Å; W76-R80 VanDerWaalsContact O-CB 3.31Å; W76-R80 WeakPolarHBondContact O-CB 3.4Å; W76-R80 PolarHBondContact O-N 3.42Å; Q78-R80 VanDerWaalsContact C-N 3.3Å; Q78-R80 PolarHBondContact O-N 2.93Å; R80-Y82 VanDerWaalsContact C-N 3.35Å; R80-K83 PolarHBondContact O-N 3.41Å; R80-F84 WeakPolarHBondContact O-CB 3.43Å; R80-F84 PolarHBondContact O-N 3.38Å |
| 81 | R | 97.4 | Very high | 91.3 | Very high | 84 Ų | 84 | 83.7 Ų | 83.7 | 32% | 0.317 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 172.2 | -74.9 | -178.2 | -68.8 | 160.2 | -0.7 | 111.8 | F48 H52 Y53 F77 Q78 F84 K85 | F48-R81 HydrophobicContact CE2-CG 3.79Å; F48-R81 HydrophobicContact CZ-CG 4.23Å; H52-R81 WeakPolarHBondContact O-CD 3.25Å; Y53-R81 VanDerWaalsContact CD1-NH1 3.26Å; F77-R81 WeakPolarHBondContact O-CB 3.29Å; F77-R81 VanDerWaalsContact O-CG 3.3Å; F77-R81 WeakPolarHBondContact O-CG 3.34Å; F77-R81 PolarHBondContact O-N 3.28Å; F77-R81 PolarHBondContact O-NE 2.97Å; Q78-R81 PolarHBondContact O-N 3.44Å; R81-F84 PolarHBondContact O-N 2.96Å; R81-K85 WeakPolarHBondContact O-CB 3.48Å; R81-K85 PolarHBondContact O-N 3.21Å |
| 82 | Y | 96 | Very high | 89.6 | Confident | 84 Ų | 84 | 83 Ų | 83 | 33% | 0.329 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 175.4 | 179.8 | -104.3 | 0 | 0 | 0 | 111.7 | Q78 N79 R80 F84 K85 R86 I142 | Q78-Y82 PolarHBondContact O-N 2.97Å; N79-Y82 WeakPolarHBondContact O-CB 3.47Å; N79-Y82 PolarHBondContact O-N 2.8Å; R80-Y82 VanDerWaalsContact C-N 3.35Å; Y82-F84 VanDerWaalsContact C-N 3.34Å; Y82-F84 PolarHBondContact O-N 3.38Å; Y82-K85 PolarHBondContact O-N 3.44Å; Y82-R86 HydrophobicContact CD1-CG 4.26Å; Y82-R86 HydrophobicContact CD2-CG 4.49Å; Y82-R86 HydrophobicContact CE1-CG 3.88Å; Y82-R86 HydrophobicContact CE2-CG 4.09Å; Y82-R86 VanDerWaalsContact CZ-NE 3.29Å; Y82-R86 WeakPolarHBondContact O-CG 3.38Å; Y82-R86 PolarHBondContact O-N 3.21Å; Y82-R86 PolarHBondContact OH-NE 3.12Å; Y82-R86 PolarHBondContact OH-NH2 2.91Å; Y82-I142 HydrophobicContact CD2-CD1 4.19Å; Y82-I142 HydrophobicContact CE2-CD1 3.41Å; Y82-I142 VanDerWaalsContact CE2-CD1 3.41Å |
| 83 | K | 93.3 | Very high | 87.9 | Confident | 146 Ų | 146 | 84 Ų | 84 | 64% | 0.635 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.4 | -43 | 174.8 | -73.2 | -173.9 | 177.7 | -172.7 | 0 | 112.3 | N79 R80 K85 R86 L87 | N79-K83 WeakPolarHBondContact O-CG 3.45Å; N79-K83 PolarHBondContact O-N 2.92Å; R80-K83 PolarHBondContact O-N 3.41Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 3.17Å; K83-R86 PolarHBondContact O-N 3.48Å; K83-L87 WeakPolarHBondContact O-CB 3.39Å; K83-L87 PolarHBondContact O-N 3.5Å |
| 84 | F | 93.9 | Very high | 85.9 | Confident | 66 Ų | 66 | 89.2 Ų | 89.2 | 29% | 0.289 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 177.6 | -177.2 | -104.7 | 0 | 0 | 0 | 112.3 | F48 H52 R80 R81 Y82 | F48-F84 HydrophobicContact CE1-CB 4.43Å; F48-F84 HydrophobicContact CE1-CD2 4.46Å; F48-F84 HydrophobicContact CE1-CG 4.49Å; F48-F84 HydrophobicContact CZ-CB 4.22Å; F48-F84 HydrophobicContact CZ-CG 4.46Å; H52-F84 AromaticContact CE1-CZ 3.96Å; R80-F84 WeakPolarHBondContact O-CB 3.43Å; R80-F84 PolarHBondContact O-N 3.38Å; R81-F84 PolarHBondContact O-N 2.96Å; Y82-F84 VanDerWaalsContact C-N 3.34Å; Y82-F84 PolarHBondContact O-N 3.38Å |
| 85 | K | 92.4 | Very high | 83.9 | Confident | 106 Ų | 106 | 90.4 Ų | 90.4 | 46% | 0.461 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 175.1 | -174.2 | 175.7 | 68.4 | 174.1 | 0 | 111.8 | R81 Y82 K83 L87 R88 Q89 | R81-K85 WeakPolarHBondContact O-CB 3.48Å; R81-K85 PolarHBondContact O-N 3.21Å; Y82-K85 PolarHBondContact O-N 3.44Å; K83-K85 VanDerWaalsContact C-N 3.34Å; K83-K85 PolarHBondContact O-N 3.17Å; K85-L87 PolarHBondContact O-N 2.94Å; K85-R88 PolarHBondContact O-N 3.06Å; K85-Q89 PolarHBondContact O-N 3.39Å |
| 86 | R | 89.3 | Confident | 81.7 | Confident | 67 Ų | 67 | 90.2 Ų | 90.2 | 25% | 0.253 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 178.7 | -76.5 | -65.7 | -171.8 | -179.8 | 6.5 | 112.1 | Y82 K83 R88 Q89 D90 | Y82-R86 HydrophobicContact CD1-CG 4.26Å; Y82-R86 HydrophobicContact CD2-CG 4.49Å; Y82-R86 HydrophobicContact CE1-CG 3.88Å; Y82-R86 HydrophobicContact CE2-CG 4.09Å; Y82-R86 VanDerWaalsContact CZ-NE 3.29Å; Y82-R86 WeakPolarHBondContact O-CG 3.38Å; Y82-R86 PolarHBondContact O-N 3.21Å; Y82-R86 PolarHBondContact OH-NE 3.12Å; Y82-R86 PolarHBondContact OH-NH2 2.91Å; K83-R86 PolarHBondContact O-N 3.48Å; R86-R88 PolarHBondContact O-N 3.1Å; R86-R88 VanDerWaalsContact O-N 3.1Å; R86-Q89 WeakPolarHBondContact O-CA 3.06Å; R86-Q89 PolarHBondContact O-N 3.33Å; R86-D90 VanDerWaalsContact O-CG 3.31Å; R86-D90 PolarHBondContact O-N 2.95Å |
| 87 | L | 86 | Confident | 79.7 | Confident | 91 Ų | 91 | 95.5 Ų | 95.5 | 48% | 0.476 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.8 | -29.1 | 177.6 | -173.3 | 61.4 | 0 | 0 | 0 | 113.3 | K83 K85 R91 | K83-L87 WeakPolarHBondContact O-CB 3.39Å; K83-L87 PolarHBondContact O-N 3.5Å; K85-L87 PolarHBondContact O-N 2.94Å; L87-R91 WeakPolarHBondContact O-CD 3.33Å; L87-R91 VanDerWaalsContact O-CG 3.25Å; L87-R91 WeakPolarHBondContact O-CG 3.39Å; L87-R91 PolarHBondContact O-N 3.5Å |
| 88 | R | 77.3 | Confident | 77.5 | Confident | 169 Ų | 169 | 102.7 Ų | 102.7 | 64% | 0.638 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -73.8 | -38.4 | 173.3 | -68.1 | -174.1 | 176 | -162.9 | -4 | 112.4 | K85 R86 T92 | K85-R88 PolarHBondContact O-N 3.06Å; R86-R88 PolarHBondContact O-N 3.1Å; R86-R88 VanDerWaalsContact O-N 3.1Å; R88-T92 PolarHBondContact O-OG1 3.1Å |
| 89 | Q | 78.4 | Confident | 75.4 | Confident | 83 Ų | 83 | 106.1 Ų | 106.1 | 39% | 0.388 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.2 | -41.4 | 178.6 | -67 | 178.1 | -13.2 | 0 | 0 | 112 | K85 R86 R91 T92 L93 | K85-Q89 PolarHBondContact O-N 3.39Å; R86-Q89 WeakPolarHBondContact O-CA 3.06Å; R86-Q89 PolarHBondContact O-N 3.33Å; Q89-R91 VanDerWaalsContact C-N 3.26Å; Q89-R91 PolarHBondContact O-N 3.29Å; Q89-T92 WeakPolarHBondContact O-CA 3.43Å; Q89-T92 WeakPolarHBondContact O-CB 3.28Å; Q89-T92 PolarHBondContact O-N 3.43Å; Q89-L93 PolarHBondContact O-N 3.36Å |
| 90 | D | 75.1 | Confident | 73.3 | Confident | 74 Ų | 74 | 107.5 Ų | 107.5 | 40% | 0.396 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -31 | -179.1 | -63.7 | -28.6 | 0 | 0 | 0 | 111.1 | R86 T92 L93 E94 | R86-D90 VanDerWaalsContact O-CG 3.31Å; R86-D90 PolarHBondContact O-N 2.95Å; D90-T92 VanDerWaalsContact C-N 3.32Å; D90-T92 PolarHBondContact O-N 2.86Å; D90-L93 PolarHBondContact O-N 3.26Å; D90-E94 WeakPolarHBondContact O-CB 3.42Å; D90-E94 PolarHBondContact O-N 2.99Å |
| 91 | R | 64.9 | Low | 70.8 | Confident | 166 Ų | 166 | 107.8 Ų | 107.8 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.8 | -35.2 | 170.7 | -74.3 | 175.5 | -176.6 | -157 | -0.2 | 112.5 | L87 Q89 M95 | L87-R91 WeakPolarHBondContact O-CD 3.33Å; L87-R91 VanDerWaalsContact O-CG 3.25Å; L87-R91 WeakPolarHBondContact O-CG 3.39Å; L87-R91 PolarHBondContact O-N 3.5Å; Q89-R91 VanDerWaalsContact C-N 3.26Å; Q89-R91 PolarHBondContact O-N 3.29Å; R91-M95 PolarHBondContact O-N 3.12Å |
| 92 | T | 62.1 | Low | 68.4 | Low | 92 Ų | 92 | 107.8 Ų | 107.8 | 56% | 0.564 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.5 | -37.5 | 174.2 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | R88 Q89 D90 S96 | R88-T92 PolarHBondContact O-OG1 3.1Å; Q89-T92 WeakPolarHBondContact O-CA 3.43Å; Q89-T92 WeakPolarHBondContact O-CB 3.28Å; Q89-T92 PolarHBondContact O-N 3.43Å; D90-T92 VanDerWaalsContact C-N 3.32Å; D90-T92 PolarHBondContact O-N 2.86Å; T92-S96 PolarHBondContact O-N 3.06Å; T92-S96 PolarHBondContact O-OG 3.12Å |
| 93 | L | 59.5 | Low | 66.3 | Low | 82 Ų | 82 | 110.6 Ų | 110.6 | 43% | 0.429 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.3 | -44.8 | 178.1 | -70.9 | 176.2 | 0 | 0 | 0 | 112.3 | Q89 D90 M95 S96 F97 | Q89-L93 PolarHBondContact O-N 3.36Å; D90-L93 PolarHBondContact O-N 3.26Å; L93-M95 PolarHBondContact O-N 3.41Å; L93-S96 CarbonylContact O-C 3.28Å; L93-S96 WeakPolarHBondContact O-CA 3.17Å; L93-S96 WeakPolarHBondContact O-CB 3.48Å; L93-S96 PolarHBondContact O-N 3.13Å; L93-F97 HydrophobicContact CB-CD2 4.04Å; L93-F97 HydrophobicContact CB-CE2 3.92Å; L93-F97 HydrophobicContact CD2-CE2 4.25Å; L93-F97 WeakPolarHBondContact O-CD2 3.21Å; L93-F97 PolarHBondContact O-N 2.81Å |
| 94 | E | 55.6 | Low | 64.4 | Low | 110 Ų | 110 | 112.5 Ų | 112.5 | 51% | 0.514 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -54.3 | -40.5 | 173.7 | -95 | -93.5 | 121.8 | 0 | 0 | 111.5 | D90 S96 K98 | D90-E94 WeakPolarHBondContact O-CB 3.42Å; D90-E94 PolarHBondContact O-N 2.99Å; E94-S96 VanDerWaalsContact C-N 3.28Å; E94-S96 PolarHBondContact O-N 3.29Å; E94-K98 WeakPolarHBondContact O-CB 3.15Å; E94-K98 PolarHBondContact O-N 2.52Å; E94-K98 IonicContact OE1-NZ 3.97Å; E94-K98 IonicContact OE2-NZ 2.77Å; E94-K98 PolarHBondContact OE2-NZ 3.01Å |
| 95 | M | 54.9 | Low | 62.4 | Low | 127 Ų | 127 | 114 Ų | 114 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.2 | -27.5 | 176.4 | -139.2 | 97.2 | 79.8 | 0 | 0 | 112.8 | R91 L93 K99 | R91-M95 PolarHBondContact O-N 3.12Å; L93-M95 PolarHBondContact O-N 3.41Å; M95-K99 WeakPolarHBondContact O-CB 3.44Å; M95-K99 WeakPolarHBondContact O-CG 3.39Å; M95-K99 PolarHBondContact O-N 3.25Å |
| 96 | S | 51.9 | Low | 60.6 | Low | 55 Ų | 55 | 115.9 Ų | 115.9 | 39% | 0.385 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -85 | -34.7 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | T92 L93 E94 K99 N100 | T92-S96 PolarHBondContact O-N 3.06Å; T92-S96 PolarHBondContact O-OG 3.12Å; L93-S96 CarbonylContact O-C 3.28Å; L93-S96 WeakPolarHBondContact O-CA 3.17Å; L93-S96 WeakPolarHBondContact O-CB 3.48Å; L93-S96 PolarHBondContact O-N 3.13Å; E94-S96 VanDerWaalsContact C-N 3.28Å; E94-S96 PolarHBondContact O-N 3.29Å; S96-K99 PolarHBondContact O-N 3.14Å; S96-N100 WeakPolarHBondContact O-CB 3.21Å; S96-N100 PolarHBondContact O-N 3.29Å |
| 97 | F | 54.9 | Low | 59.3 | Low | 144 Ų | 144 | 118.4 Ų | 118.4 | 63% | 0.632 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -73.2 | -31.7 | 175.2 | -75.7 | -68.4 | 0 | 0 | 0 | 112.2 | L93 G101 | L93-F97 HydrophobicContact CB-CD2 4.04Å; L93-F97 HydrophobicContact CB-CE2 3.92Å; L93-F97 HydrophobicContact CD2-CE2 4.25Å; L93-F97 WeakPolarHBondContact O-CD2 3.21Å; L93-F97 PolarHBondContact O-N 2.81Å; F97-G101 WeakPolarHBondContact O-CA 3.44Å; F97-G101 PolarHBondContact O-N 3.48Å |
| 98 | K | 53.1 | Low | 57.8 | Low | 159 Ų | 159 | 120.4 Ų | 120.4 | 69% | 0.691 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -78.7 | -20.7 | 173.9 | -78.5 | 171.3 | 175.6 | 154.2 | 0 | 114.2 | E94 | E94-K98 WeakPolarHBondContact O-CB 3.15Å; E94-K98 PolarHBondContact O-N 2.52Å; E94-K98 IonicContact OE1-NZ 3.97Å; E94-K98 IonicContact OE2-NZ 2.77Å; E94-K98 PolarHBondContact OE2-NZ 3.01Å |
| 99 | K | 53.1 | Low | 56.9 | Low | 172 Ų | 172 | 116.3 Ų | 116.3 | 75% | 0.748 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -98.1 | -18.3 | 178.2 | -72.6 | -173 | 174.9 | -177.2 | 0 | 114.6 | M95 S96 | M95-K99 WeakPolarHBondContact O-CB 3.44Å; M95-K99 WeakPolarHBondContact O-CG 3.39Å; M95-K99 PolarHBondContact O-N 3.25Å; S96-K99 PolarHBondContact O-N 3.14Å |
| 100 | N | 52.5 | Low | 55.9 | Low | 116 Ų | 116 | 122.7 Ų | 122.7 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -127.3 | 22.6 | -179.8 | -63.6 | -35.1 | 0 | 0 | 0 | 113.9 | S96 A102 | S96-N100 WeakPolarHBondContact O-CB 3.21Å; S96-N100 PolarHBondContact O-N 3.29Å; N100-A102 PolarHBondContact O-N 3.44Å |
| 101 | G | 46.3 | Very low | 54.7 | Low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 23.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | F97 | F97-G101 WeakPolarHBondContact O-CA 3.44Å; F97-G101 PolarHBondContact O-N 3.48Å |
| 102 | A | 46.9 | Very low | 54.6 | Low | 85 Ų | 85 | 120.3 Ų | 120.3 | 70% | 0.702 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 13.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N100 | N100-A102 PolarHBondContact O-N 3.44Š|
| 103 | M | 51 | Low | 54.2 | Low | 142 Ų | 142 | 121.2 Ų | 121.2 | 70% | 0.7 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -143.3 | 45.1 | -164 | -54.4 | -75.9 | -177.4 | 0 | 0 | 115.5 | ||
| 104 | F | 54.2 | Low | 54 | Low | 187 Ų | 187 | 124.2 Ų | 124.2 | 82% | 0.82 | 68% | 0.676 | S | S | * | * | trans | -150.8 | 43.3 | 156.3 | -72.6 | -69.6 | 0 | 0 | 0 | 111 | H106 | F104-H106 VanDerWaalsContact C-N 3.32Å; F104-H106 AromaticContact CD1-CD2 3.87Å; F104-H106 AromaticContact CD1-NE2 3.55Å; F104-H106 PolarHBondContact O-N 2.93Å | ||
| 105 | A | 51.4 | Low | 53.9 | Low | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 69% | 0.689 | S | S | * | * | trans | -94.5 | 71 | 160 | 0 | 0 | 0 | 0 | 0 | 107.5 | P107 | A105-P107 WeakPolarHBondContact O-CD 3.05Š| ||
| 106 | H | 55 | Low | 53.4 | Low | 145 Ų | 145 | 126.3 Ų | 126.3 | 67% | 0.671 | 69% | 0.693 | S | S | * | * | trans | -79.7 | 115.4 | 161.5 | -58 | -79.6 | 0 | 0 | 0 | 106 | F104 L108 | F104-H106 VanDerWaalsContact C-N 3.32Å; F104-H106 AromaticContact CD1-CD2 3.87Å; F104-H106 AromaticContact CD1-NE2 3.55Å; F104-H106 PolarHBondContact O-N 2.93Å; H106-L108 PolarHBondContact O-N 3.34Å; H106-L108 VanDerWaalsContact O-N 3.13Å | ||
| 107 | P | 61.2 | Low | 53.4 | Low | 119 Ų | 119 | 128.1 Ų | 128.1 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 118.4 | 170.9 | -9.6 | 24.8 | 0 | 0 | 0 | 106.4 | A105 P109 | A105-P107 WeakPolarHBondContact O-CD 3.05Å; P107-P109 WeakPolarHBondContact O-CD 3.38Å; P107-P109 VanDerWaalsContact O-N 3.17Å |
| 108 | L | 53.8 | Low | 53.3 | Low | 134 Ų | 134 | 126.1 Ų | 126.1 | 70% | 0.702 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 122.8 | 162.7 | -72 | 170.1 | 0 | 0 | 0 | 106.2 | H106 Y110 | H106-L108 PolarHBondContact O-N 3.34Å; H106-L108 VanDerWaalsContact O-N 3.13Å; L108-Y110 PolarHBondContact O-N 3.05Å |
| 109 | P | 58.8 | Low | 53 | Low | 83 Ų | 83 | 127.6 Ų | 127.6 | 54% | 0.539 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -63.3 | 133.4 | 165.6 | 33.5 | -32.3 | 0 | 0 | 0 | 104.4 | P107 | P107-P109 WeakPolarHBondContact O-CD 3.38Å; P107-P109 VanDerWaalsContact O-N 3.17Å |
| 110 | Y | 58.8 | Low | 53.1 | Low | 217 Ų | 217 | 125.1 Ų | 125.1 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 76.7 | 72.4 | 176.6 | -18.9 | -66.9 | 0 | 0 | 0 | 115.8 | L108 | L108-Y110 PolarHBondContact O-N 3.05Š|
| 111 | G | 48.6 | Very low | 52.8 | Low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | 68.9 | 74.2 | 124 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 112 | I | 62.3 | Low | 52.4 | Low | 117 Ų | 117 | 132 Ų | 132 | 60% | 0.6 | 73% | 0.732 | S | S | * | * | trans | -131.4 | 108.1 | 147.8 | -61.5 | -179.1 | 0 | 0 | 0 | 108.3 | Y114 | I112-Y114 HydrophobicContact CB-CE2 4.38Å; I112-Y114 HydrophobicContact CG2-CD1 4.44Å; I112-Y114 HydrophobicContact CG2-CD2 4.47Å; I112-Y114 HydrophobicContact CG2-CE1 4Å; I112-Y114 HydrophobicContact CG2-CE2 4.04Å; I112-Y114 PolarHBondContact O-N 3.19Å | ||
| 113 | S | 53.7 | Low | 52.2 | Low | 112 Ų | 112 | 134.6 Ų | 134.6 | 78% | 0.783 | 73% | 0.734 | S | S | * | * | trans | -73.8 | 108.8 | 170.6 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | F115 | S113-F115 PolarHBondContact O-N 3.29Š| ||
| 114 | Y | 55.8 | Low | 51.8 | Low | 144 Ų | 144 | 138 Ų | 138 | 57% | 0.565 | 74% | 0.74 | S | S | * | * | trans | -80.2 | 108.1 | 165.1 | -61.6 | -79.9 | 0 | 0 | 0 | 107 | I112 S116 H135 | I112-Y114 HydrophobicContact CB-CE2 4.38Å; I112-Y114 HydrophobicContact CG2-CD1 4.44Å; I112-Y114 HydrophobicContact CG2-CD2 4.47Å; I112-Y114 HydrophobicContact CG2-CE1 4Å; I112-Y114 HydrophobicContact CG2-CE2 4.04Å; I112-Y114 PolarHBondContact O-N 3.19Å; Y114-S116 PolarHBondContact O-N 3.46Å; Y114-S116 VanDerWaalsContact O-N 3.09Å; Y114-H135 AromaticContact CE1-CE1 3.65Å | ||
| 115 | F | 53.4 | Low | 51 | Low | 179 Ų | 179 | 132.5 Ų | 132.5 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -50.7 | 117.1 | 178.8 | -146.3 | -88.9 | 0 | 0 | 0 | 109.7 | S113 T117 | S113-F115 PolarHBondContact O-N 3.29Å; F115-T117 VanDerWaalsContact C-N 3.35Å; F115-T117 HydrophobicContact CD1-CG2 3.65Å; F115-T117 HydrophobicContact CE1-CG2 4.27Å; F115-T117 PolarHBondContact O-N 2.64Å | ||
| 116 | S | 45.8 | Very low | 50.6 | Low | 103 Ų | 103 | 133.6 Ų | 133.6 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | trans | -73.4 | 87.6 | 172.6 | -168.4 | 0 | 0 | 0 | 0 | 108 | Y114 S118 | Y114-S116 PolarHBondContact O-N 3.46Å; Y114-S116 VanDerWaalsContact O-N 3.09Å; S116-S118 VanDerWaalsContact C-N 3.34Å; S116-S118 PolarHBondContact O-N 2.98Å; S116-S118 VanDerWaalsContact O-N 3.11Å | ||
| 117 | T | 50.3 | Low | 49.8 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 56% | 0.564 | 74% | 0.74 | S | S | * | * | trans | -82.8 | 85 | 172.1 | 47.9 | 0 | 0 | 0 | 0 | 110.1 | F115 F119 | F115-T117 VanDerWaalsContact C-N 3.35Å; F115-T117 HydrophobicContact CD1-CG2 3.65Å; F115-T117 HydrophobicContact CE1-CG2 4.27Å; F115-T117 PolarHBondContact O-N 2.64Å; T117-F119 PolarHBondContact O-N 3.22Å; T117-F119 VanDerWaalsContact O-N 3.15Å | ||
| 118 | S | 54.5 | Low | 49.1 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | trans | -57.5 | 107.3 | 147.9 | -53 | 0 | 0 | 0 | 0 | 107.1 | S116 P120 | S116-S118 VanDerWaalsContact C-N 3.34Å; S116-S118 PolarHBondContact O-N 2.98Å; S116-S118 VanDerWaalsContact O-N 3.11Å; S118-P120 WeakPolarHBondContact O-CD 3.37Å | ||
| 119 | F | 46.5 | Very low | 48.3 | Very low | 191 Ų | 191 | 128.7 Ų | 128.7 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -71 | 118 | 177.2 | -83.9 | -95.3 | 0 | 0 | 0 | 110.6 | T117 | T117-F119 PolarHBondContact O-N 3.22Å; T117-F119 VanDerWaalsContact O-N 3.15Å |
| 120 | P | 54.1 | Low | 47.6 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 139.2 | 162.2 | 4.3 | 18.5 | 0 | 0 | 0 | 109.3 | S118 | S118-P120 WeakPolarHBondContact O-CD 3.37Š|
| 121 | R | 45.8 | Very low | 46.8 | Very low | 258 Ų | 258 | 126 Ų | 126 | 97% | 0.974 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 132.7 | 168 | -93.3 | 174 | -171.3 | -150.3 | 1.5 | 110.7 | ||
| 122 | G | 39.8 | Very low | 46.5 | Very low | 71 Ų | 71 | 128.8 Ų | 128.8 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | trans | 143.6 | 120.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 123 | N | 42.6 | Very low | 45.7 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | 82.8 | 111.3 | 154.9 | -127.1 | 17.9 | 0 | 0 | 0 | 119.2 | ||||
| 124 | Y | 41 | Very low | 45.1 | Very low | 214 Ų | 214 | 135.1 Ų | 135.1 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | trans | -71.9 | 122.1 | 174.4 | 3.5 | -89.6 | 0 | 0 | 0 | 109.4 | ||||
| 125 | G | 37.9 | Very low | 44.6 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | trans | -172 | 94.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 126 | S | 42.9 | Very low | 44.1 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | 61.3 | 119.7 | 148.9 | -127.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 127 | A | 38.9 | Very low | 44.6 | Very low | 86 Ų | 86 | 132 Ų | 132 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 54.1 | 98.4 | 133.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 128 | S | 46.6 | Very low | 44.6 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | 169 | 134.9 | 117.8 | 42.2 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 129 | G | 36.4 | Very low | 44.1 | Very low | 82 Ų | 82 | 132.3 Ų | 132.3 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | -68.2 | 137.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 130 | N | 43.2 | Very low | 44.3 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | trans | -158.4 | 75.1 | 155.6 | -154.6 | 15.3 | 0 | 0 | 0 | 110.4 | Q132 | N130-Q132 PolarHBondContact O-N 3.37Å; N130-Q132 VanDerWaalsContact O-N 3.16Å | ||
| 131 | C | 43.1 | Very low | 44.2 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | -83.5 | 88 | 168.7 | -72.6 | 0 | 0 | 0 | 0 | 108.8 | W133 | C131-W133 VanDerWaalsContact O-CD1 3.31Å; C131-W133 PolarHBondContact O-N 3.08Å | ||
| 132 | Q | 41.8 | Very low | 44.4 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 61% | 0.612 | 73% | 0.732 | S | S | * | * | trans | -72.3 | 88.3 | 177.1 | -161.8 | 137.4 | 28.9 | 0 | 0 | 109.6 | N130 L134 | N130-Q132 PolarHBondContact O-N 3.37Å; N130-Q132 VanDerWaalsContact O-N 3.16Å; Q132-L134 HydrophobicContact CG-CB 4.05Å; Q132-L134 HydrophobicContact CG-CD1 3.61Å; Q132-L134 HydrophobicContact CG-CG 3.86Å; Q132-L134 VanDerWaalsContact NE2-CD1 3.34Å; Q132-L134 PolarHBondContact O-N 2.91Å | ||
| 133 | W | 44.7 | Very low | 44.5 | Very low | 247 Ų | 247 | 129.3 Ų | 129.3 | 94% | 0.936 | 74% | 0.736 | S | S | * | * | trans | -73 | 63.7 | 166.3 | -62.6 | 94 | 0 | 0 | 0 | 109.7 | C131 | C131-W133 VanDerWaalsContact O-CD1 3.31Å; C131-W133 PolarHBondContact O-N 3.08Å | ||
| 134 | L | 41.2 | Very low | 44.4 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 60% | 0.602 | 74% | 0.736 | S | S | * | * | trans | -111.7 | 138.8 | 169.5 | -72.2 | 174 | 0 | 0 | 0 | 108.8 | Q132 | Q132-L134 HydrophobicContact CG-CB 4.05Å; Q132-L134 HydrophobicContact CG-CD1 3.61Å; Q132-L134 HydrophobicContact CG-CG 3.86Å; Q132-L134 VanDerWaalsContact NE2-CD1 3.34Å; Q132-L134 PolarHBondContact O-N 2.91Å | ||
| 135 | H | 45.3 | Very low | 44.5 | Very low | 149 Ų | 149 | 124 Ų | 124 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | trans | 89.9 | 63.1 | -179 | -53.7 | 102.7 | 0 | 0 | 0 | 117.3 | Y114 | Y114-H135 AromaticContact CE1-CE1 3.65Š| ||
| 136 | S | 44.6 | Very low | 44.9 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 59% | 0.587 | 73% | 0.728 | S | S | * | * | trans | -146.1 | 113.9 | 135.9 | -160.2 | 0 | 0 | 0 | 0 | 110.6 | V138 | S136-V138 PolarHBondContact O-N 3.34Å; S136-V138 VanDerWaalsContact O-N 3.09Å | ||
| 137 | P | 54.6 | Low | 44.6 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 11.2 | -177.2 | 30.2 | -32.6 | 0 | 0 | 0 | 113.8 | ||
| 138 | V | 50.3 | Low | 44.8 | Very low | 88 Ų | 88 | 130.8 Ų | 130.8 | 53% | 0.533 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.6 | 31.9 | -172.3 | -157.6 | 0 | 0 | 0 | 0 | 112.2 | S136 | S136-V138 PolarHBondContact O-N 3.34Å; S136-V138 VanDerWaalsContact O-N 3.09Å |
| 139 | C | 44.1 | Very low | 44.4 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 75% | 0.75 | 73% | 0.726 | S | S | * | * | trans | -99 | 55.2 | 166 | -73.7 | 0 | 0 | 0 | 0 | 110.5 | P141 | C139-P141 WeakPolarHBondContact O-CD 3.13Š| ||
| 140 | K | 50.5 | Low | 44.9 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | trans | -77.3 | 121.3 | 160.3 | -72.5 | -171.8 | 179 | -178 | 0 | 107.8 | I142 | K140-I142 PolarHBondContact O-N 2.85Å; K140-I142 VanDerWaalsContact O-N 3.1Å | ||
| 141 | P | 53 | Low | 45.1 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | -60.4 | 116.1 | 167 | 24.8 | -29.9 | 0 | 0 | 0 | 107.3 | C139 F143 | C139-P141 WeakPolarHBondContact O-CD 3.13Å; P141-F143 PolarHBondContact O-N 3.25Å | ||
| 142 | I | 50.5 | Low | 44.8 | Very low | 98 Ų | 98 | 144.9 Ų | 144.9 | 50% | 0.503 | 74% | 0.74 | S | S | . | * | trans | -72.7 | 84.3 | 174.7 | -60.7 | 173.6 | 0 | 0 | 0 | 107.1 | Y82 K140 | Y82-I142 HydrophobicContact CD2-CD1 4.19Å; Y82-I142 HydrophobicContact CE2-CD1 3.41Å; Y82-I142 VanDerWaalsContact CE2-CD1 3.41Å; K140-I142 PolarHBondContact O-N 2.85Å; K140-I142 VanDerWaalsContact O-N 3.1Å | ||
| 143 | F | 42 | Very low | 45.3 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | -79.1 | 133.5 | 146.8 | -118.6 | -93.2 | 0 | 0 | 0 | 105.9 | P141 | P141-F143 PolarHBondContact O-N 3.25Š| ||
| 144 | L | 40.6 | Very low | 46.1 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 72.6 | 99.4 | 178.6 | -59.5 | 103.5 | 0 | 0 | 0 | 117.5 | ||||
| 145 | C | 42.8 | Very low | 46.3 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 69% | 0.689 | 78% | 0.775 | S | S | * | * | -118.7 | 117.4 | 127.7 | -66 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 146 | P | 45.8 | Very low | 46.4 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | trans | -67 | 143.5 | 171.8 | 29.7 | -30.7 | 0 | 0 | 0 | 109.1 | S148 | P146-S148 PolarHBondContact O-N 3.26Š| ||
| 147 | F | 36.5 | Very low | 46.5 | Very low | 211 Ų | 211 | 147.1 Ų | 147.1 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | trans | -68.5 | 120.6 | 175.4 | -157.1 | -98.1 | 0 | 0 | 0 | 108 | ||||
| 148 | S | 42.8 | Very low | 46 | Very low | 99 Ų | 99 | 148.2 Ų | 148.2 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -135.6 | 113.7 | 166.5 | -58.3 | 0 | 0 | 0 | 0 | 109 | P146 | P146-S148 PolarHBondContact O-N 3.26Š| ||
| 149 | D | 37.9 | Very low | 45.8 | Very low | 147 Ų | 147 | 152 Ų | 152 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | trans | 30.7 | 105.6 | 152.6 | -71 | -81.3 | 0 | 0 | 0 | 120.4 | ||||
| 150 | I | 48.6 | Very low | 45.9 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -132.9 | 94.1 | 146.1 | -66 | 176.6 | 0 | 0 | 0 | 109 | ||||
| 151 | K | 47.1 | Very low | 45.5 | Very low | 189 Ų | 189 | 153.1 Ų | 153.1 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | 60.8 | 110.8 | 142.3 | -58.5 | -152.8 | 177.2 | -165.7 | 0 | 120.8 | ||||
| 152 | R | 35.4 | Very low | 45 | Very low | 247 Ų | 247 | 155.9 Ų | 155.9 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -27.7 | 130.4 | 137 | -69.6 | 172.2 | -177.5 | 170.3 | 0.5 | 113.2 | ||||
| 153 | T | 53.1 | Low | 44.5 | Very low | 128 Ų | 128 | 160.8 Ų | 160.8 | 79% | 0.785 | 84% | 0.839 | S | S | * | * | trans | -128.5 | 147.7 | 140.6 | 52.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 154 | P | 61.4 | Low | 44.7 | Very low | 204 Ų | 204 | 158.5 Ų | 158.5 | 100% | 1.325 | 84% | 0.842 | S | S | * | * | trans | -54.9 | 0 | -162.6 | 23.5 | -35.2 | 0 | 0 | 0 | 114.5 |
Retrieved 154 of 154 residues in 133.1 ms
(Link to these results)