| 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 | 43.1 | Very low | 43.5 | Very low | 227 Ų | 227 | 109.3 Ų | 109.3 | 100% | 1.118 | 53% | 0.528 | S | S | * | . | 0 | -31.8 | 0 | -75.4 | 175.7 | 173.1 | 0 | 0 | 112.2 | Q3 | M1-Q3 PolarHBondContact O-N 2.68Š| |||
| 2 | E | 38.3 | Very low | 43.5 | Very low | 131 Ų | 131 | 106.3 Ų | 106.3 | 61% | 0.612 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -56.5 | -37.4 | 180 | -130 | 57.4 | -120 | 0 | 0 | 116.5 | V4 R5 | E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 2.71Å; E2-R5 IonicContact OE1-CZ 3.56Å; E2-R5 IonicContact OE1-NE 3.9Å; E2-R5 IonicContact OE1-NH2 3.32Å; E2-R5 PolarHBondContact OE1-NH2 2.79Å |
| 3 | Q | 38.2 | Very low | 43.7 | Very low | 183 Ų | 183 | 110.5 Ų | 110.5 | 86% | 0.855 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -72.2 | -7.1 | -169.5 | -75.4 | 175.1 | -56.9 | 0 | 0 | 116.1 | M1 | M1-Q3 PolarHBondContact O-N 2.68Š|
| 4 | V | 43 | Very low | 44.2 | Very low | 97 Ų | 97 | 105.6 Ų | 105.6 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -81.4 | -17.1 | -175.1 | -173.8 | 0 | 0 | 0 | 0 | 112.5 | E2 H6 | E2-V4 VanDerWaalsContact C-N 3.27Å; E2-V4 PolarHBondContact O-N 2.71Å; V4-H6 PolarHBondContact O-N 3.29Å |
| 5 | R | 40.5 | Very low | 44.3 | Very low | 152 Ų | 152 | 107.1 Ų | 107.1 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -28.9 | -173.5 | -84.4 | -169.7 | -99.7 | -129.1 | 2.4 | 115.8 | E2 G7 Q8 | E2-R5 IonicContact OE1-CZ 3.56Å; E2-R5 IonicContact OE1-NE 3.9Å; E2-R5 IonicContact OE1-NH2 3.32Å; E2-R5 PolarHBondContact OE1-NH2 2.79Å; R5-G7 PolarHBondContact O-N 3.46Å; R5-G7 VanDerWaalsContact O-N 3.13Å; R5-Q8 PolarHBondContact O-N 3.17Å |
| 6 | H | 45.1 | Very low | 44.3 | Very low | 139 Ų | 139 | 110.6 Ų | 110.6 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -11.9 | -172.9 | -63.5 | -24.1 | 0 | 0 | 0 | 114.8 | V4 E9 | V4-H6 PolarHBondContact O-N 3.29Å; H6-E9 IonicContact CE1-OE2 3.94Å; H6-E9 IonicContact CG-OE2 3.91Å; H6-E9 IonicContact ND1-OE1 2.68Å; H6-E9 IonicContact ND1-OE2 3.7Å; H6-E9 PolarHBondContact ND1-OE2 2.99Å |
| 7 | G | 43.5 | Very low | 44.3 | Very low | 18 Ų | 18 | 114.1 Ų | 114.1 | 19% | 0.186 | 58% | 0.578 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | -50.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | R5 E9 S10 | R5-G7 PolarHBondContact O-N 3.46Å; R5-G7 VanDerWaalsContact O-N 3.13Å; G7-E9 VanDerWaalsContact C-N 3.35Å; G7-E9 PolarHBondContact O-N 3.35Å; G7-S10 PolarHBondContact O-N 3.38Å; G7-S10 PolarHBondContact O-OG 3.43Å |
| 8 | Q | 42.8 | Very low | 44 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 56% | 0.556 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -27 | -174.5 | -65.4 | -173.4 | -39.4 | 0 | 0 | 113.4 | R5 S10 W11 A12 | R5-Q8 PolarHBondContact O-N 3.17Å; Q8-S10 PolarHBondContact O-N 3.45Å; Q8-W11 PolarHBondContact O-N 3.13Å; Q8-A12 PolarHBondContact O-N 3.1Å |
| 9 | E | 45.4 | Very low | 43.8 | Very low | 102 Ų | 102 | 116.2 Ų | 116.2 | 48% | 0.477 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58 | -28.4 | 176.2 | -71.3 | 165.9 | -175.3 | 0 | 0 | 112.5 | H6 G7 W11 Q13 | H6-E9 IonicContact CE1-OE2 3.94Å; H6-E9 IonicContact CG-OE2 3.91Å; H6-E9 IonicContact ND1-OE1 2.68Å; H6-E9 IonicContact ND1-OE2 3.7Å; H6-E9 PolarHBondContact ND1-OE2 2.99Å; G7-E9 VanDerWaalsContact C-N 3.35Å; G7-E9 PolarHBondContact O-N 3.35Å; E9-W11 VanDerWaalsContact C-N 3.33Å; E9-W11 PolarHBondContact O-N 3.18Å; E9-Q13 PolarHBondContact O-N 3.37Å |
| 10 | S | 46.9 | Very low | 43.4 | Very low | 23 Ų | 23 | 115.5 Ų | 115.5 | 16% | 0.161 | 61% | 0.607 | C | S | . | * | H | α-helix | trans | -67.2 | -27.8 | -179 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | G7 Q8 K224 | G7-S10 PolarHBondContact O-N 3.38Å; G7-S10 PolarHBondContact O-OG 3.43Å; Q8-S10 PolarHBondContact O-N 3.45Å; S10-K224 VanDerWaalsContact O-CD 3.27Å; S10-K224 WeakPolarHBondContact O-CD 3.44Å; S10-K224 PolarHBondContact O-NZ 3.39Å |
| 11 | W | 51.5 | Low | 43.2 | Very low | 11 Ų | 11 | 116.5 Ų | 116.5 | 4% | 0.042 | 62% | 0.618 | C | S | . | * | H | α-helix | trans | -100.3 | -31.9 | 178.6 | -73.8 | 90.5 | 0 | 0 | 0 | 112.9 | Q8 E9 Q13 F14 K224 L237 W241 | Q8-W11 PolarHBondContact O-N 3.13Å; E9-W11 VanDerWaalsContact C-N 3.33Å; E9-W11 PolarHBondContact O-N 3.18Å; W11-Q13 PolarHBondContact O-N 3.21Å; W11-Q13 VanDerWaalsContact O-N 3.1Å; W11-F14 HydrophobicContact CD2-CD2 4.22Å; W11-F14 HydrophobicContact CD2-CE2 4.01Å; W11-F14 AromaticContact CE3-CD2 3.43Å; W11-F14 HydrophobicContact CE3-CD2 3.43Å; W11-F14 VanDerWaalsContact CE3-CD2 3.43Å; W11-F14 AromaticContact CE3-CE2 3.27Å; W11-F14 HydrophobicContact CE3-CE2 3.27Å; W11-F14 HydrophobicContact CE3-CZ 4.49Å; W11-F14 AromaticContact CH2-CE2 3.92Å; W11-F14 HydrophobicContact CH2-CE2 3.92Å; W11-F14 AromaticContact CZ3-CD2 3.79Å; W11-F14 HydrophobicContact CZ3-CD2 3.79Å; W11-F14 AromaticContact CZ3-CE2 3.2Å; W11-F14 HydrophobicContact CZ3-CE2 3.2Å; W11-F14 HydrophobicContact CZ3-CZ 4.08Å; W11-F14 WeakPolarHBondContact O-CB 3.44Å; W11-F14 PolarHBondContact O-N 3.19Å; W11-K224 HydrophobicContact CH2-CB 4.29Å; W11-K224 HydrophobicContact CH2-CG 4.44Å; W11-K224 HydrophobicContact CZ2-CB 3.69Å; W11-K224 HydrophobicContact CZ2-CG 4.26Å; W11-L237 HydrophobicContact CH2-CB 3.89Å; W11-L237 HydrophobicContact CZ3-CB 3.52Å; W11-W241 AromaticContact CD1-CD2 3.63Å; W11-W241 AromaticContact CD1-CE2 3.81Å; W11-W241 AromaticContact CD1-CG 3.81Å; W11-W241 HydrophobicContact CD2-CB 3.99Å; W11-W241 HydrophobicContact CD2-CD2 4.23Å; W11-W241 HydrophobicContact CD2-CE3 4.48Å; W11-W241 AromaticContact CD2-CG 3.99Å; W11-W241 HydrophobicContact CD2-CG 3.99Å; W11-W241 AromaticContact CE2-CD2 3.61Å; W11-W241 AromaticContact CE2-CE3 3.46Å; W11-W241 VanDerWaalsContact CE2-CE3 3.46Å; W11-W241 AromaticContact CE2-CG 3.84Å; W11-W241 HydrophobicContact CE3-CB 4.25Å; W11-W241 HydrophobicContact CG-CB 4.42Å; W11-W241 HydrophobicContact CG-CD2 4.28Å; W11-W241 HydrophobicContact CG-CG 4.03Å; W11-W241 HydrophobicContact CZ2-CB 4.35Å; W11-W241 HydrophobicContact CZ2-CD2 4.15Å; W11-W241 AromaticContact CZ2-CE3 3.58Å; W11-W241 HydrophobicContact CZ2-CE3 3.58Å; W11-W241 HydrophobicContact CZ2-CG 4.48Å; W11-W241 HydrophobicContact CZ2-CZ3 4.32Å; W11-W241 AromaticContact NE1-CD2 3.15Å; W11-W241 AromaticContact NE1-CE2 3.64Å; W11-W241 AromaticContact NE1-CE3 3.18Å; W11-W241 AromaticContact NE1-CG 3.67Å; W11-W241 AromaticContact NE1-CZ3 3.68Å |
| 12 | A | 44 | Very low | 42.9 | Very low | 74 Ų | 74 | 112 Ų | 112 | 61% | 0.612 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.8 | -20.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q8 F14 | Q8-A12 PolarHBondContact O-N 3.1Å; A12-F14 VanDerWaalsContact C-N 3.25Å; A12-F14 PolarHBondContact O-N 3.26Å |
| 13 | Q | 45.3 | Very low | 42.8 | Very low | 161 Ų | 161 | 117 Ų | 117 | 75% | 0.752 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 42.3 | 172.5 | -157.8 | -176.3 | -11.2 | 0 | 0 | 112.8 | E9 W11 K224 | E9-Q13 PolarHBondContact O-N 3.37Å; W11-Q13 PolarHBondContact O-N 3.21Å; W11-Q13 VanDerWaalsContact O-N 3.1Å; Q13-K224 PolarHBondContact O-NZ 2.95Å |
| 14 | F | 50.6 | Low | 42.8 | Very low | 41 Ų | 41 | 117.5 Ų | 117.5 | 18% | 0.18 | 62% | 0.616 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -115.1 | -15.5 | 170.1 | -94.8 | -57.2 | 0 | 0 | 0 | 114.2 | W11 A12 K224 E228 S234 | W11-F14 HydrophobicContact CD2-CD2 4.22Å; W11-F14 HydrophobicContact CD2-CE2 4.01Å; W11-F14 AromaticContact CE3-CD2 3.43Å; W11-F14 HydrophobicContact CE3-CD2 3.43Å; W11-F14 VanDerWaalsContact CE3-CD2 3.43Å; W11-F14 AromaticContact CE3-CE2 3.27Å; W11-F14 HydrophobicContact CE3-CE2 3.27Å; W11-F14 HydrophobicContact CE3-CZ 4.49Å; W11-F14 AromaticContact CH2-CE2 3.92Å; W11-F14 HydrophobicContact CH2-CE2 3.92Å; W11-F14 AromaticContact CZ3-CD2 3.79Å; W11-F14 HydrophobicContact CZ3-CD2 3.79Å; W11-F14 AromaticContact CZ3-CE2 3.2Å; W11-F14 HydrophobicContact CZ3-CE2 3.2Å; W11-F14 HydrophobicContact CZ3-CZ 4.08Å; W11-F14 WeakPolarHBondContact O-CB 3.44Å; W11-F14 PolarHBondContact O-N 3.19Å; A12-F14 VanDerWaalsContact C-N 3.25Å; A12-F14 PolarHBondContact O-N 3.26Å; F14-K224 HydrophobicContact CD2-CD 4.35Å; F14-K224 HydrophobicContact CE2-CD 3.47Å; F14-K224 VanDerWaalsContact CE2-CD 3.47Å; F14-K224 HydrophobicContact CE2-CG 3.84Å; F14-K224 HydrophobicContact CZ-CD 3.78Å; F14-K224 HydrophobicContact CZ-CG 3.84Å; F14-E228 HydrophobicContact CE1-CG 4.43Å; F14-E228 HydrophobicContact CZ-CG 3.93Å; F14-E228 WeakPolarHBondContact CZ-OE1 3.41Å; F14-S234 WeakPolarHBondContact CD1-OG 3.31Å |
| 15 | D | 46.1 | Very low | 42.6 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 68% | 0.684 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -82.8 | 156.7 | 164.9 | -64.1 | -51.5 | 0 | 0 | 0 | 110 | ||
| 16 | D | 44.9 | Very low | 42.3 | Very low | 164 Ų | 164 | 120.7 Ų | 120.7 | 88% | 0.877 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 67.1 | 55.3 | 175.9 | -64.2 | -23.4 | 0 | 0 | 0 | 118.9 | ||
| 17 | D | 44.4 | Very low | 41.9 | Very low | 169 Ų | 169 | 120 Ų | 120 | 90% | 0.904 | 65% | 0.645 | S | S | * | * | trans | -151.4 | 41.8 | 156.7 | -135.6 | -8.1 | 0 | 0 | 0 | 116.6 | ||||
| 18 | D | 39 | Very low | 41.6 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 88% | 0.882 | 68% | 0.675 | S | S | * | * | trans | -146.2 | 79 | 170 | -163 | 7.6 | 0 | 0 | 0 | 114.6 | ||||
| 19 | S | 40.3 | Very low | 41.4 | Very low | 103 Ų | 103 | 123.2 Ų | 123.2 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -172.3 | 107.7 | 149.2 | -175.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 20 | S | 34.6 | Very low | 40.8 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | trans | 48.5 | 112.4 | 154.2 | 72.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 21 | T | 39.8 | Very low | 39.9 | Very low | 136 Ų | 136 | 130 Ų | 130 | 83% | 0.834 | 73% | 0.725 | S | S | * | * | -169.3 | 129.9 | 122.8 | -85.7 | 0 | 0 | 0 | 0 | 112.7 | R23 | T21-R23 PolarHBondContact O-N 3.29Š| |||
| 22 | V | 37.4 | Very low | 39.1 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -79.6 | 110.3 | 169.9 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 23 | R | 36.4 | Very low | 38.4 | Very low | 236 Ų | 236 | 137 Ų | 137 | 89% | 0.891 | 77% | 0.766 | S | S | * | * | trans | -162.4 | 141.4 | 142.1 | -112.6 | 159.5 | -131.2 | -145.9 | 2.2 | 114.8 | T21 | T21-R23 PolarHBondContact O-N 3.29Š| ||
| 24 | K | 37.7 | Very low | 37.8 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -75.1 | 141.8 | 169.9 | -55.2 | 148.8 | -176.9 | 167.3 | 0 | 108.7 | ||||
| 25 | H | 39 | Very low | 36.9 | Very low | 188 Ų | 188 | 140.5 Ų | 140.5 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | -157.8 | 134.8 | 128 | -112.2 | -79.5 | 0 | 0 | 0 | 110.2 | |||||
| 26 | L | 34.7 | Very low | 36.2 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | -95.4 | 136.9 | 163.3 | -73.5 | 94 | 0 | 0 | 0 | 108 | ||||
| 27 | S | 35.8 | Very low | 35.6 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 88% | 0.881 | 79% | 0.792 | S | S | * | * | trans | -167.6 | 105.6 | 150.5 | -96.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 28 | A | 37.7 | Very low | 35.2 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -110.3 | 144.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 29 | P | 37.9 | Very low | 35.1 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | trans | -147.1 | 133.8 | 134.3 | 29.9 | -10.7 | 0 | 0 | 0 | 116.2 | ||||
| 30 | I | 32.6 | Very low | 34.6 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | 75.1 | 119.2 | 126.9 | -61.9 | 171.7 | 0 | 0 | 0 | 120 | |||||
| 31 | C | 28.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 64.9 | 160.6 | 155.2 | -69.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 32 | T | 33.6 | Very low | 34.6 | Very low | 135 Ų | 135 | 146 Ų | 146 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | cis | -123.8 | 163 | 7.6 | 44.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 33 | S | 30.9 | Very low | 34.4 | Very low | 98 Ų | 98 | 144.6 Ų | 144.6 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -78.2 | 150.6 | 172.2 | 52.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 34 | H | 32.9 | Very low | 34.3 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | -160.6 | -178.7 | 119 | -112.2 | -52.5 | 0 | 0 | 0 | 112.7 | |||||
| 35 | S | 31.7 | Very low | 34.3 | Very low | 90 Ų | 90 | 140.2 Ų | 140.2 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | -154.6 | 173.3 | -159.3 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 36 | Y | 31.1 | Very low | 33.9 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 74% | 0.737 | 77% | 0.774 | S | S | * | * | trans | 67.8 | 156.4 | 178.3 | -85 | -101.9 | 0 | 0 | 0 | 115 | ||||
| 37 | F | 32.4 | Very low | 34 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | cis | -132.4 | 153.8 | 16.4 | -98.6 | -88.9 | 0 | 0 | 0 | 113.6 | ||||
| 38 | P | 35.9 | Very low | 33.8 | Very low | 102 Ų | 102 | 144 Ų | 144 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | trans | -82.9 | 171 | 159.5 | 36.8 | -35.5 | 0 | 0 | 0 | 112 | ||||
| 39 | M | 36.1 | Very low | 33.8 | Very low | 196 Ų | 196 | 148.1 Ų | 148.1 | 97% | 0.966 | 79% | 0.785 | S | S | * | * | trans | -112.4 | 126.1 | 175.8 | -155.1 | 175.8 | -162.9 | 0 | 0 | 111.3 | ||||
| 40 | E | 30.5 | Very low | 33.5 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -93.1 | 154.8 | 175.2 | -61.8 | -173.1 | 125.6 | 0 | 0 | 112.3 | ||||
| 41 | T | 38.3 | Very low | 33.8 | Very low | 130 Ų | 130 | 149.7 Ų | 149.7 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | trans | -146.2 | 120.4 | 144.9 | 48.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 42 | S | 34.4 | Very low | 33.8 | Very low | 99 Ų | 99 | 150.6 Ų | 150.6 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | 41.2 | 99.8 | 147.7 | 58.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 43 | S | 33.8 | Very low | 33.7 | Very low | 104 Ų | 104 | 149 Ų | 149 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | 78.8 | 122.6 | 70.3 | 73.5 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 44 | F | 34.9 | Very low | 33.9 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -156.8 | 106.2 | 147 | -118.5 | -77.8 | 0 | 0 | 0 | 113.8 | ||||
| 45 | I | 37.1 | Very low | 33.9 | Very low | 147 Ų | 147 | 153.2 Ų | 153.2 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | 54.9 | 124.4 | 150 | -62.5 | -178.7 | 0 | 0 | 0 | 121 | ||||
| 46 | N | 31 | Very low | 34.3 | Very low | 152 Ų | 152 | 154.9 Ų | 154.9 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -73 | 146.7 | 163 | -71.9 | -68.9 | 0 | 0 | 0 | 113 | ||||
| 47 | Q | 36.2 | Very low | 34.3 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | -150.9 | 134 | 128.8 | -123 | 176.2 | 39.2 | 0 | 0 | 111.8 | |||||
| 48 | Q | 31.4 | Very low | 34.6 | Very low | 179 Ų | 179 | 150.8 Ų | 150.8 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -136.3 | 127.2 | 179.2 | -178 | 175.6 | 76.1 | 0 | 0 | 108 | ||||
| 49 | Q | 38.4 | Very low | 34.6 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -135.4 | 136.2 | 168.5 | -75.4 | -166.4 | -10.8 | 0 | 0 | 109.8 | ||||
| 50 | T | 30.8 | Very low | 34.4 | Very low | 115 Ų | 115 | 147 Ų | 147 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -103.9 | 139.7 | -177 | 45.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 51 | I | 38.7 | Very low | 34.6 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -132.4 | 133.9 | 163.7 | -56.3 | -178.4 | 0 | 0 | 0 | 107.5 | ||||
| 52 | N | 29.5 | Very low | 34.3 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -102.3 | 167.7 | -171 | -78.4 | -45.9 | 0 | 0 | 0 | 113.2 | ||||
| 53 | S | 32.7 | Very low | 34.3 | Very low | 100 Ų | 100 | 147.5 Ų | 147.5 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | 60.9 | 111.7 | 152.4 | 59.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 54 | H | 34 | Very low | 34.2 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | -164.6 | 138.7 | 99.4 | -105.7 | 72.7 | 0 | 0 | 0 | 113.2 | |||||
| 55 | F | 32.7 | Very low | 34 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | trans | -135.7 | 147.6 | 161.2 | -106.5 | -76.4 | 0 | 0 | 0 | 107.1 | ||||
| 56 | P | 39.9 | Very low | 33.8 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -131.9 | 163.1 | 135.4 | 32.7 | -20.4 | 0 | 0 | 0 | 113.1 | ||||
| 57 | N | 32.6 | Very low | 33.5 | Very low | 112 Ų | 112 | 148.6 Ų | 148.6 | 60% | 0.599 | 77% | 0.774 | S | S | * | * | trans | -124.1 | 127.2 | -167 | 175.9 | -0.9 | 0 | 0 | 0 | 110.2 | H114 | N57-H114 PolarHBondContact ND2-NE2 2.81Š| ||
| 58 | L | 37.4 | Very low | 33.4 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -155.3 | 139.6 | 164 | -73.5 | -178.5 | 0 | 0 | 0 | 108.4 | ||||
| 59 | G | 36.1 | Very low | 33.1 | Very low | 59 Ų | 59 | 142 Ų | 142 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | cis | 156.8 | 117.3 | -10.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 60 | L | 32.7 | Very low | 32.7 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | 42.6 | 136.3 | 155.2 | -71.9 | 151.9 | 0 | 0 | 0 | 120.9 | ||||
| 61 | I | 34.9 | Very low | 32.6 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | 176.7 | 121.5 | 114.7 | -89.6 | 156.2 | 0 | 0 | 0 | 111.8 | |||||
| 62 | N | 31.7 | Very low | 32.4 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 60% | 0.604 | 75% | 0.754 | S | S | * | * | trans | 27.1 | 120.3 | 144.9 | -58.2 | -32.1 | 0 | 0 | 0 | 121 | ||||
| 63 | Q | 33.1 | Very low | 32.6 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | 71.8 | 149.6 | 87.1 | -65.7 | 177.4 | 33.1 | 0 | 0 | 115.8 | |||||
| 64 | N | 33.7 | Very low | 32.8 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | 77.9 | 151.9 | 173.5 | -49.3 | -62.6 | 0 | 0 | 0 | 115.1 | ||||
| 65 | L | 29.8 | Very low | 32.9 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | cis | -163.5 | 165.4 | -21.1 | -109.5 | 174 | 0 | 0 | 0 | 107.8 | ||||
| 66 | L | 31.8 | Very low | 33.2 | Very low | 148 Ų | 148 | 133 Ų | 133 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | trans | 63.8 | 137.2 | 157.9 | -102 | 64.4 | 0 | 0 | 0 | 120.2 | ||||
| 67 | F | 25.4 | Very low | 32.9 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | -64.9 | 142.9 | 156 | -62.1 | -102.8 | 0 | 0 | 0 | 110.9 | ||||
| 68 | P | 33.6 | Very low | 33.1 | Very low | 130 Ų | 130 | 134.6 Ų | 134.6 | 84% | 0.844 | 73% | 0.733 | S | S | * | * | trans | -101.3 | 107.8 | 153.4 | 33.3 | -24.8 | 0 | 0 | 0 | 110.1 | ||||
| 69 | S | 26.7 | Very low | 33.3 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | trans | -81.9 | 148.1 | 167.6 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 70 | S | 28.7 | Very low | 33.4 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | 86.7 | 141.3 | 143 | 82.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 71 | L | 30 | Very low | 33.6 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | trans | 88.8 | 154.8 | 138 | -80.1 | 163.1 | 0 | 0 | 0 | 122.4 | ||||
| 72 | S | 33.1 | Very low | 33.9 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | trans | 73.2 | 141.2 | -174.9 | -63.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 73 | Q | 35.1 | Very low | 34.5 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | cis | -166.3 | 153.1 | -7.2 | -114.3 | 173.7 | 78.9 | 0 | 0 | 106.7 | ||||
| 74 | S | 36.5 | Very low | 34.7 | Very low | 78 Ų | 78 | 136 Ų | 136 | 55% | 0.545 | 73% | 0.73 | S | S | . | * | cis | -153.2 | -162.9 | 4.1 | -62.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 75 | N | 36 | Very low | 35 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | trans | 69.8 | 122 | 149.9 | -65.8 | 13.6 | 0 | 0 | 0 | 117.8 | ||||
| 76 | E | 39.5 | Very low | 35.5 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | cis | -164.1 | 165.9 | 0.1 | -82.1 | -54.7 | 50.9 | 0 | 0 | 106.8 | ||||
| 77 | L | 32.3 | Very low | 35.9 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 61% | 0.607 | 73% | 0.73 | S | S | * | * | cis | -165.1 | -177.2 | -1.9 | -118.9 | 169.1 | 0 | 0 | 0 | 112.7 | ||||
| 78 | F | 37.8 | Very low | 36.5 | Very low | 155 Ų | 155 | 130.5 Ų | 130.5 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | trans | 51 | 96 | 156.3 | -79.3 | -77.9 | 0 | 0 | 0 | 122 | ||||
| 79 | M | 40.8 | Very low | 36.7 | Very low | 146 Ų | 146 | 129.3 Ų | 129.3 | 72% | 0.719 | 73% | 0.726 | S | S | * | * | 69.3 | 147.7 | 126.1 | -58.1 | -56.5 | -168.9 | 0 | 0 | 120.9 | |||||
| 80 | L | 37.6 | Very low | 37.7 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 68% | 0.681 | 73% | 0.731 | S | S | * | * | cis | -162.9 | 146.7 | 1.7 | -122 | 165.6 | 0 | 0 | 0 | 113.4 | ||||
| 81 | R | 38.1 | Very low | 38 | Very low | 211 Ų | 211 | 135 Ų | 135 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | 68.5 | 140.3 | 146.3 | -119.2 | 170.8 | 178.8 | 175.5 | 0.7 | 119.7 | ||||
| 82 | N | 39.9 | Very low | 38.5 | Very low | 137 Ų | 137 | 131 Ų | 131 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | cis | -159.8 | 158.9 | -21 | -110.7 | 19.3 | 0 | 0 | 0 | 109.4 | ||||
| 83 | P | 44.2 | Very low | 38.8 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | trans | -109.5 | 160.6 | 179.5 | 39.9 | -33.3 | 0 | 0 | 0 | 116.4 | ||||
| 84 | S | 39.1 | Very low | 39.1 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | -176 | 160.3 | 167.5 | -90.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 85 | D | 38.1 | Very low | 39.4 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | cis | -161.6 | 165.6 | -25 | -105.3 | -60.3 | 0 | 0 | 0 | 109.5 | ||||
| 86 | P | 42.1 | Very low | 39.6 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | trans | -110.9 | -178 | -163.1 | 39.4 | -33.1 | 0 | 0 | 0 | 118.1 | ||||
| 87 | T | 39.7 | Very low | 39.6 | Very low | 128 Ų | 128 | 136 Ų | 136 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 112.4 | 156.2 | 153.2 | 72.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 88 | S | 38.1 | Very low | 40.1 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | 92.4 | 160 | 160.1 | 79.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 89 | S | 37.2 | Very low | 40.5 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -130.3 | -176.4 | -163 | 63 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 90 | P | 47.7 | Very low | 40.3 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | -144.9 | 167.1 | 111.3 | 38.2 | -24.3 | 0 | 0 | 0 | 117.7 | |||||
| 91 | F | 34.6 | Very low | 40.2 | Very low | 201 Ų | 201 | 135 Ų | 135 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | -53.9 | 171.2 | 160.9 | -110.9 | -125.1 | 0 | 0 | 0 | 113.4 | ||||
| 92 | A | 40.2 | Very low | 40.3 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | cis | -160.8 | 171 | 15.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 93 | A | 40.1 | Very low | 39.9 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | 66.3 | 155.8 | 140.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 94 | I | 42.4 | Very low | 39.5 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | cis | -154.9 | 141 | -6.3 | -118.6 | 164.2 | 0 | 0 | 0 | 109.2 | ||||
| 95 | H | 41.9 | Very low | 39.1 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | trans | 46.1 | 141 | 156.5 | -59 | -163.3 | 0 | 0 | 0 | 121.1 | ||||
| 96 | G | 39.8 | Very low | 38.8 | Very low | 68 Ų | 68 | 133.1 Ų | 133.1 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | cis | 163.7 | 162.6 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 97 | R | 39.3 | Very low | 38.4 | Very low | 248 Ų | 248 | 140 Ų | 140 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | trans | 71 | 126.8 | 179.9 | -58.9 | -176.8 | 172.4 | -165.1 | -3 | 115.6 | ||||
| 98 | S | 43.1 | Very low | 38 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | cis | 78.3 | 137.5 | 35.3 | -165.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 99 | P | 46.5 | Very low | 38.1 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | cis | -132.2 | -173.6 | 25.1 | 22.2 | 3.7 | 0 | 0 | 0 | 116.4 | ||||
| 100 | R | 36.6 | Very low | 37.9 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | cis | 166.6 | 135.8 | -34.1 | -176.9 | -149.1 | 177.6 | 157.7 | -1.1 | 110.1 | ||||
| 101 | S | 35.7 | Very low | 37.5 | Very low | 90 Ų | 90 | 148 Ų | 148 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | 64.3 | 154.9 | 155.3 | 54.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 102 | T | 39.9 | Very low | 37.3 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | cis | -140.5 | 138.3 | 30.9 | -58.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 103 | I | 32.5 | Very low | 36.9 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 72% | 0.723 | 77% | 0.769 | S | S | * | * | trans | -104.9 | 142 | 172.4 | -53.2 | 160.8 | 0 | 0 | 0 | 107.6 | ||||
| 104 | K | 36 | Very low | 36.4 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | 171.4 | 97.9 | 132.3 | -93.8 | 163.8 | -177.2 | -174.7 | 0 | 114.8 | ||||
| 105 | T | 30.7 | Very low | 35.9 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | 40.7 | 108.6 | 106.8 | -45.2 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 106 | A | 31.2 | Very low | 35.6 | Very low | 89 Ų | 89 | 145.6 Ų | 145.6 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | trans | 58.2 | 128.4 | 139 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 107 | R | 33.7 | Very low | 35.1 | Very low | 243 Ų | 243 | 150.9 Ų | 150.9 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | -138.3 | 143.4 | 120.4 | -146.2 | 175.9 | -172.8 | 96.9 | -1.1 | 109.2 | |||||
| 108 | H | 32.1 | Very low | 34.8 | Very low | 165 Ų | 165 | 146.8 Ų | 146.8 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -65.4 | 155.6 | 164.6 | -66.3 | -164.9 | 0 | 0 | 0 | 109 | ||||
| 109 | E | 39.6 | Very low | 34.2 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 94% | 0.939 | 77% | 0.769 | S | S | * | * | -135.6 | 165.7 | 101.6 | -68.3 | -147.8 | 142.8 | 0 | 0 | 108.9 | |||||
| 110 | N | 32 | Very low | 33.5 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | trans | -127.1 | 147.8 | -168.2 | 174.8 | 20 | 0 | 0 | 0 | 108.7 | ||||
| 111 | L | 39.6 | Very low | 33.1 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -174.2 | 117.9 | 138.5 | -101.5 | 161 | 0 | 0 | 0 | 112.4 | ||||
| 112 | N | 30.8 | Very low | 32.7 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | trans | 19.1 | 114 | 143.4 | -75.6 | 16.3 | 0 | 0 | 0 | 118.8 | ||||
| 113 | S | 31 | Very low | 32.2 | Very low | 87 Ų | 87 | 143.7 Ų | 143.7 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | 75.8 | 119.5 | 68.5 | 77.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 114 | H | 31.2 | Very low | 32 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | -161.2 | 162.4 | 108.5 | -120.2 | -82 | 0 | 0 | 0 | 113.2 | N57 | N57-H114 PolarHBondContact ND2-NE2 2.81Š| |||
| 115 | S | 31.3 | Very low | 31.7 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -64.5 | 140.1 | 175.1 | 50.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 116 | E | 34.3 | Very low | 31.7 | Very low | 195 Ų | 195 | 142.7 Ų | 142.7 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | trans | -122.6 | 122.5 | 141.4 | -73.1 | -166.3 | 120.9 | 0 | 0 | 109.2 | ||||
| 117 | M | 30.8 | Very low | 31.8 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | trans | -92.6 | 126.2 | 161.5 | -71.5 | -179.4 | 173.4 | 0 | 0 | 107.3 | ||||
| 118 | N | 32.3 | Very low | 31.5 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 87% | 0.866 | 74% | 0.744 | S | S | * | * | trans | -164 | 150.7 | 157.2 | -107.6 | -37.3 | 0 | 0 | 0 | 113.9 | ||||
| 119 | S | 30.6 | Very low | 31.7 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | 51.9 | 82.8 | 156.5 | -170.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 120 | S | 31.7 | Very low | 31.5 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | 22.6 | 104.5 | 133.2 | 51.2 | 0 | 0 | 0 | 0 | 118.3 | C122 | S120-C122 PolarHBondContact O-N 3.15Š| ||
| 121 | H | 29.6 | Very low | 31.8 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.815 | 72% | 0.718 | S | S | * | * | trans | -73.8 | 79.5 | 174.2 | -162.9 | -62.2 | 0 | 0 | 0 | 111.7 | T123 | H121-T123 PolarHBondContact CE1-OG1 3.26Å; H121-T123 PolarHBondContact ND1-OG1 3.08Å; H121-T123 PolarHBondContact O-N 3.08Å | ||
| 122 | C | 26.5 | Very low | 31.9 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | trans | -89.2 | 79.2 | -178.3 | -167 | 0 | 0 | 0 | 0 | 112.3 | S120 | S120-C122 PolarHBondContact O-N 3.15Š| ||
| 123 | T | 28.7 | Very low | 32.6 | Very low | 92 Ų | 92 | 130.3 Ų | 130.3 | 56% | 0.564 | 69% | 0.692 | S | S | * | * | trans | -149.4 | 150.7 | 164 | 43.6 | 0 | 0 | 0 | 0 | 111.3 | H121 | H121-T123 PolarHBondContact CE1-OG1 3.26Å; H121-T123 PolarHBondContact ND1-OG1 3.08Å; H121-T123 PolarHBondContact O-N 3.08Å | ||
| 124 | D | 27.7 | Very low | 33.5 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | trans | 58.9 | 69.2 | 158.2 | -52.8 | -31.4 | 0 | 0 | 0 | 118.9 | Q126 | D124-Q126 VanDerWaalsContact C-N 3.26Å; D124-Q126 PolarHBondContact O-N 2.78Å | ||
| 125 | I | 29.7 | Very low | 35.3 | Very low | 140 Ų | 140 | 123.5 Ų | 123.5 | 72% | 0.718 | 65% | 0.652 | S | S | * | * | trans | -69.3 | 89.1 | 150.3 | -57.6 | 178.2 | 0 | 0 | 0 | 108.1 | F127 | I125-F127 HydrophobicContact CB-CE2 4.28Å; I125-F127 HydrophobicContact CG2-CD2 3.9Å; I125-F127 HydrophobicContact CG2-CE2 3.79Å; I125-F127 HydrophobicContact CG2-CG 4.4Å; I125-F127 HydrophobicContact CG2-CZ 4.21Å; I125-F127 WeakPolarHBondContact O-CD2 3.44Å; I125-F127 PolarHBondContact O-N 2.78Å | ||
| 126 | Q | 31.6 | Very low | 36.4 | Very low | 159 Ų | 159 | 121.3 Ų | 121.3 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | trans | -69.8 | 93.7 | 166.4 | -75.6 | -167.2 | -27.4 | 0 | 0 | 109.4 | D124 H128 | D124-Q126 VanDerWaalsContact C-N 3.26Å; D124-Q126 PolarHBondContact O-N 2.78Å; Q126-H128 PolarHBondContact O-N 3.08Å; Q126-H128 VanDerWaalsContact O-N 3.07Å; Q126-H128 PolarHBondContact O-ND1 2.73Å | ||
| 127 | F | 32.8 | Very low | 37.4 | Very low | 164 Ų | 164 | 115 Ų | 115 | 72% | 0.719 | 62% | 0.615 | S | S | * | * | trans | -55.3 | 112.7 | 176.5 | -81.8 | -94.1 | 0 | 0 | 0 | 110.8 | I125 S129 | I125-F127 HydrophobicContact CB-CE2 4.28Å; I125-F127 HydrophobicContact CG2-CD2 3.9Å; I125-F127 HydrophobicContact CG2-CE2 3.79Å; I125-F127 HydrophobicContact CG2-CG 4.4Å; I125-F127 HydrophobicContact CG2-CZ 4.21Å; I125-F127 WeakPolarHBondContact O-CD2 3.44Å; I125-F127 PolarHBondContact O-N 2.78Å; F127-S129 PolarHBondContact O-N 2.77Å | ||
| 128 | H | 28 | Very low | 38.8 | Very low | 138 Ų | 138 | 107.1 Ų | 107.1 | 64% | 0.639 | 58% | 0.576 | S | S | * | * | trans | -74 | 97.6 | 176.8 | -75 | 47.1 | 0 | 0 | 0 | 109.4 | Q126 H130 K131 | Q126-H128 PolarHBondContact O-N 3.08Å; Q126-H128 VanDerWaalsContact O-N 3.07Å; Q126-H128 PolarHBondContact O-ND1 2.73Å; H128-H130 PolarHBondContact O-N 3.27Å; H128-K131 PolarHBondContact O-N 3.39Å | ||
| 129 | S | 35.8 | Very low | 39.7 | Very low | 73 Ų | 73 | 103.8 Ų | 103.8 | 51% | 0.51 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -45.8 | -30.8 | -172.8 | 148.4 | 0 | 0 | 0 | 0 | 115.3 | F127 K131 L132 N133 | F127-S129 PolarHBondContact O-N 2.77Å; S129-K131 PolarHBondContact O-N 2.94Å; S129-L132 PolarHBondContact O-N 2.82Å; S129-N133 PolarHBondContact O-OD1 3.26Å |
| 130 | H | 34.7 | Very low | 40.5 | Very low | 128 Ų | 128 | 105.4 Ų | 105.4 | 59% | 0.593 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -55.7 | -20.3 | -174 | 67.8 | -110.1 | 0 | 0 | 0 | 115.5 | H128 | H128-H130 PolarHBondContact O-N 3.27Š|
| 131 | K | 40.2 | Very low | 40.8 | Very low | 171 Ų | 171 | 105.5 Ų | 105.5 | 74% | 0.743 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -82.8 | -16.9 | 175.2 | -79.1 | -169.1 | 177.5 | 179.8 | 0 | 114.9 | H128 S129 | H128-K131 PolarHBondContact O-N 3.39Å; S129-K131 PolarHBondContact O-N 2.94Å |
| 132 | L | 40.8 | Very low | 41.8 | Very low | 75 Ų | 75 | 98.5 Ų | 98.5 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -25.1 | -179.8 | -59.8 | 177.8 | 0 | 0 | 0 | 112.6 | S129 N134 L229 | S129-L132 PolarHBondContact O-N 2.82Å; L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 3.27Å; L132-L229 HydrophobicContact CB-CD1 3.84Å; L132-L229 HydrophobicContact CD1-CD1 4.31Å |
| 133 | N | 45.7 | Very low | 42.4 | Very low | 95 Ų | 95 | 97.6 Ų | 97.6 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | trans | -74.4 | -9.9 | -168.5 | -59.6 | 11.2 | 0 | 0 | 0 | 114.5 | S129 W135 | S129-N133 PolarHBondContact O-OD1 3.26Å; N133-W135 VanDerWaalsContact C-N 3.26Å; N133-W135 PolarHBondContact O-N 2.82Å | ||
| 134 | N | 50.4 | Low | 42.5 | Very low | 79 Ų | 79 | 101.9 Ų | 101.9 | 42% | 0.422 | 53% | 0.525 | S | S | . | . | trans | -85.4 | 60.2 | -174.9 | -169.5 | 12.2 | 0 | 0 | 0 | 113.3 | L132 S136 S137 | L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 3.27Å; N134-S136 PolarHBondContact O-N 3.27Å; N134-S136 WeakPolarHBondContact OD1-CB 3.05Å; N134-S136 PolarHBondContact OD1-N 2.77Å; N134-S136 PolarHBondContact OD1-OG 3.23Å; N134-S137 PolarHBondContact ND2-OG 2.98Å; N134-S137 PolarHBondContact O-N 2.9Å; N134-S137 PolarHBondContact OD1-N 2.95Å | ||
| 135 | W | 68.3 | Low | 42.5 | Very low | 12 Ų | 12 | 101 Ų | 101 | 5% | 0.045 | 52% | 0.515 | C | S | . | . | G | 310 helix | trans | -63.2 | -17.7 | 166.6 | -81.7 | 86.2 | 0 | 0 | 0 | 112.6 | N133 S137 F138 F226 F227 L229 M261 V264 L268 | N133-W135 VanDerWaalsContact C-N 3.26Å; N133-W135 PolarHBondContact O-N 2.82Å; W135-S137 PolarHBondContact O-N 2.91Å; W135-S137 VanDerWaalsContact O-N 3.1Å; W135-F138 HydrophobicContact CB-CD2 4.36Å; W135-F138 HydrophobicContact CD2-CD2 4.16Å; W135-F138 AromaticContact CD2-CE2 3.97Å; W135-F138 HydrophobicContact CD2-CE2 3.97Å; W135-F138 HydrophobicContact CD2-CZ 4.19Å; W135-F138 HydrophobicContact CE3-CB 4.4Å; W135-F138 AromaticContact CE3-CD1 3.81Å; W135-F138 HydrophobicContact CE3-CD1 3.81Å; W135-F138 AromaticContact CE3-CD2 3.85Å; W135-F138 HydrophobicContact CE3-CD2 3.85Å; W135-F138 AromaticContact CE3-CE1 3.95Å; W135-F138 HydrophobicContact CE3-CE1 3.95Å; W135-F138 AromaticContact CE3-CE2 3.95Å; W135-F138 HydrophobicContact CE3-CE2 3.95Å; W135-F138 AromaticContact CE3-CG 3.76Å; W135-F138 HydrophobicContact CE3-CG 3.76Å; W135-F138 AromaticContact CE3-CZ 4Å; W135-F138 HydrophobicContact CE3-CZ 4Å; W135-F138 HydrophobicContact CG-CD2 4.4Å; W135-F138 HydrophobicContact CG-CE2 4.27Å; W135-F138 HydrophobicContact CH2-CE1 4.12Å; W135-F138 HydrophobicContact CH2-CZ 4.32Å; W135-F138 AromaticContact CZ3-CD1 3.71Å; W135-F138 HydrophobicContact CZ3-CD1 3.71Å; W135-F138 AromaticContact CZ3-CE1 3.68Å; W135-F138 HydrophobicContact CZ3-CE1 3.68Å; W135-F138 HydrophobicContact CZ3-CE2 4.47Å; W135-F138 HydrophobicContact CZ3-CG 4.17Å; W135-F138 HydrophobicContact CZ3-CZ 4.05Å; W135-F138 WeakPolarHBondContact O-CB 3.27Å; W135-F138 WeakPolarHBondContact O-CD2 3.11Å; W135-F138 PolarHBondContact O-N 2.88Å; W135-F226 AromaticContact CH2-CE1 3.8Å; W135-F226 HydrophobicContact CH2-CE1 3.8Å; W135-F226 HydrophobicContact CH2-CZ 4.05Å; W135-F226 HydrophobicContact CZ2-CD1 4.21Å; W135-F226 AromaticContact CZ2-CE1 3.6Å; W135-F226 HydrophobicContact CZ2-CE1 3.6Å; W135-F226 HydrophobicContact CZ2-CE2 4.23Å; W135-F226 AromaticContact CZ2-CZ 3.62Å; W135-F226 HydrophobicContact CZ2-CZ 3.62Å; W135-F227 HydrophobicContact CH2-CD1 4.12Å; W135-L229 VanDerWaalsContact NE1-C 3.33Å; W135-L229 PolarHBondContact NE1-O 3.47Å; W135-M261 HydrophobicContact CH2-CE 4.5Å; W135-M261 HydrophobicContact CH2-SD 4.12Å; W135-M261 HydrophobicContact CZ3-SD 4.19Å; W135-V264 HydrophobicContact CE3-CG1 4.27Å; W135-V264 HydrophobicContact CH2-CG1 3.92Å; W135-V264 HydrophobicContact CZ3-CG1 3.46Å; W135-V264 VanDerWaalsContact CZ3-CG1 3.46Å; W135-L268 HydrophobicContact CE3-CD1 3.87Å; W135-L268 HydrophobicContact CZ3-CD1 4.32Å |
| 136 | S | 54.1 | Low | 42.5 | Very low | 45 Ų | 45 | 103.6 Ų | 103.6 | 32% | 0.315 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -64.9 | -13.3 | 175 | 91.9 | 0 | 0 | 0 | 0 | 114.5 | N134 K672 | N134-S136 PolarHBondContact O-N 3.27Å; N134-S136 WeakPolarHBondContact OD1-CB 3.05Å; N134-S136 PolarHBondContact OD1-N 2.77Å; N134-S136 PolarHBondContact OD1-OG 3.23Å; S136-K672 PolarHBondContact OG-NZ 2.91Å |
| 137 | S | 56.1 | Low | 42.5 | Very low | 64 Ų | 64 | 104.2 Ų | 104.2 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -79.5 | -15 | 170.5 | -81.7 | 0 | 0 | 0 | 0 | 114 | N134 W135 N139 | N134-S137 PolarHBondContact ND2-OG 2.98Å; N134-S137 PolarHBondContact O-N 2.9Å; N134-S137 PolarHBondContact OD1-N 2.95Å; W135-S137 PolarHBondContact O-N 2.91Å; W135-S137 VanDerWaalsContact O-N 3.1Å; S137-N139 VanDerWaalsContact C-N 3.28Å |
| 138 | F | 60.5 | Low | 42.2 | Very low | 13 Ų | 13 | 105.5 Ų | 105.5 | 6% | 0.057 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -78.7 | -15.6 | 178.6 | -67.5 | -115.8 | 0 | 0 | 0 | 112.1 | W135 Q140 Y202 Q206 F226 M261 V265 | W135-F138 HydrophobicContact CB-CD2 4.36Å; W135-F138 HydrophobicContact CD2-CD2 4.16Å; W135-F138 AromaticContact CD2-CE2 3.97Å; W135-F138 HydrophobicContact CD2-CE2 3.97Å; W135-F138 HydrophobicContact CD2-CZ 4.19Å; W135-F138 HydrophobicContact CE3-CB 4.4Å; W135-F138 AromaticContact CE3-CD1 3.81Å; W135-F138 HydrophobicContact CE3-CD1 3.81Å; W135-F138 AromaticContact CE3-CD2 3.85Å; W135-F138 HydrophobicContact CE3-CD2 3.85Å; W135-F138 AromaticContact CE3-CE1 3.95Å; W135-F138 HydrophobicContact CE3-CE1 3.95Å; W135-F138 AromaticContact CE3-CE2 3.95Å; W135-F138 HydrophobicContact CE3-CE2 3.95Å; W135-F138 AromaticContact CE3-CG 3.76Å; W135-F138 HydrophobicContact CE3-CG 3.76Å; W135-F138 AromaticContact CE3-CZ 4Å; W135-F138 HydrophobicContact CE3-CZ 4Å; W135-F138 HydrophobicContact CG-CD2 4.4Å; W135-F138 HydrophobicContact CG-CE2 4.27Å; W135-F138 HydrophobicContact CH2-CE1 4.12Å; W135-F138 HydrophobicContact CH2-CZ 4.32Å; W135-F138 AromaticContact CZ3-CD1 3.71Å; W135-F138 HydrophobicContact CZ3-CD1 3.71Å; W135-F138 AromaticContact CZ3-CE1 3.68Å; W135-F138 HydrophobicContact CZ3-CE1 3.68Å; W135-F138 HydrophobicContact CZ3-CE2 4.47Å; W135-F138 HydrophobicContact CZ3-CG 4.17Å; W135-F138 HydrophobicContact CZ3-CZ 4.05Å; W135-F138 WeakPolarHBondContact O-CB 3.27Å; W135-F138 WeakPolarHBondContact O-CD2 3.11Å; W135-F138 PolarHBondContact O-N 2.88Å; F138-Q140 PolarHBondContact O-N 3.09Å; F138-Y202 AromaticContact CD1-CE1 3.68Å; F138-Y202 HydrophobicContact CD1-CE1 3.68Å; F138-Y202 WeakPolarHBondContact CD2-OH 3.35Å; F138-Y202 AromaticContact CE1-CE1 3.67Å; F138-Y202 HydrophobicContact CE1-CE1 3.67Å; F138-Y202 VanDerWaalsContact CE2-OH 3.22Å; F138-Y202 WeakPolarHBondContact CE2-OH 3.27Å; F138-Y202 HydrophobicContact CG-CE1 4.14Å; F138-Y202 HydrophobicContact CZ-CE1 4.17Å; F138-Y202 WeakPolarHBondContact CZ-OH 3.09Å; F138-Q206 HydrophobicContact CE1-CG 4.1Å; F138-Q206 HydrophobicContact CZ-CG 4.19Å; F138-Q206 VanDerWaalsContact CZ-OE1 3.3Å; F138-F226 HydrophobicContact CZ-CZ 4.47Å; F138-M261 HydrophobicContact CD1-SD 3.95Å; F138-M261 HydrophobicContact CE1-CE 4.02Å; F138-M261 HydrophobicContact CE1-SD 3.5Å; F138-M261 WeakPolarHBondContact CE1-SD 3.33Å; F138-V265 HydrophobicContact CB-CG2 4.18Å; F138-V265 HydrophobicContact CD1-CG2 3.95Å |
| 139 | N | 50.4 | Low | 42.3 | Very low | 91 Ų | 91 | 103.8 Ų | 103.8 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | trans | -74.3 | 51.5 | 175.5 | -64.9 | -0.8 | 0 | 0 | 0 | 111.9 | S137 | S137-N139 VanDerWaalsContact C-N 3.28Š| ||
| 140 | Q | 47.3 | Very low | 41.9 | Very low | 134 Ų | 134 | 106.7 Ų | 106.7 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | trans | -61.1 | 138.1 | 155.1 | -71.8 | -74.2 | 10.4 | 0 | 0 | 108.2 | F138 I142 | F138-Q140 PolarHBondContact O-N 3.09Å; Q140-I142 VanDerWaalsContact C-N 3.35Å; Q140-I142 PolarHBondContact O-N 2.91Å | ||
| 141 | P | 38 | Very low | 41.6 | Very low | 106 Ų | 106 | 106.2 Ų | 106.2 | 69% | 0.688 | 55% | 0.554 | S | S | * | * | trans | -71.4 | 91 | -179.7 | 29.8 | -34.4 | 0 | 0 | 0 | 110.3 | V143 | P141-V143 PolarHBondContact O-N 3.08Š| ||
| 142 | I | 50.2 | Low | 41.3 | Very low | 29 Ų | 29 | 103.1 Ų | 103.1 | 15% | 0.149 | 55% | 0.549 | C | S | . | . | trans | -54.5 | 130 | 155.9 | -67.7 | -179.4 | 0 | 0 | 0 | 106.6 | Q140 Q144 V265 Y266 | Q140-I142 VanDerWaalsContact C-N 3.35Å; Q140-I142 PolarHBondContact O-N 2.91Å; I142-Q144 PolarHBondContact O-N 3.34Å; I142-V265 HydrophobicContact CD1-CG1 4.04Å; I142-Y266 HydrophobicContact CD1-CD2 3.8Å; I142-Y266 HydrophobicContact CD1-CE2 3.45Å; I142-Y266 VanDerWaalsContact CD1-CE2 3.45Å; I142-Y266 HydrophobicContact CG2-CE2 4.18Å; I142-Y266 VanDerWaalsContact CG2-OH 3.22Å; I142-Y266 WeakPolarHBondContact CG2-OH 3.42Å | ||
| 143 | V | 38.6 | Very low | 41 | Very low | 103 Ų | 103 | 106.7 Ų | 106.7 | 62% | 0.624 | 57% | 0.568 | S | S | * | * | trans | -53.3 | 117.6 | -171.6 | -177 | 0 | 0 | 0 | 0 | 108.9 | P141 F145 | P141-V143 PolarHBondContact O-N 3.08Å; V143-F145 VanDerWaalsContact C-N 3.3Å; V143-F145 WeakPolarHBondContact O-CD2 3.2Å; V143-F145 PolarHBondContact O-N 2.9Å | ||
| 144 | Q | 31 | Very low | 40.5 | Very low | 183 Ų | 183 | 110 Ų | 110 | 86% | 0.855 | 58% | 0.584 | S | S | * | * | trans | -69.8 | 82.7 | -166.1 | -72.9 | -171.5 | -45.2 | 0 | 0 | 112.4 | I142 K146 | I142-Q144 PolarHBondContact O-N 3.34Å; Q144-K146 PolarHBondContact O-N 3.32Å | ||
| 145 | F | 28.2 | Very low | 40 | Very low | 119 Ų | 119 | 112.7 Ų | 112.7 | 52% | 0.522 | 60% | 0.604 | S | S | . | * | trans | -69.9 | 69.5 | 165.1 | -77.7 | -72.2 | 0 | 0 | 0 | 110.5 | V143 Q147 P192 | V143-F145 VanDerWaalsContact C-N 3.3Å; V143-F145 WeakPolarHBondContact O-CD2 3.2Å; V143-F145 PolarHBondContact O-N 2.9Å; F145-Q147 PolarHBondContact O-N 3.17Å; F145-P192 HydrophobicContact CD2-CG 4.23Å; F145-P192 HydrophobicContact CE2-CG 4.46Å | ||
| 146 | K | 30.2 | Very low | 38.6 | Very low | 195 Ų | 195 | 117.9 Ų | 117.9 | 85% | 0.848 | 64% | 0.639 | S | S | * | * | trans | -67 | 89.2 | 164.6 | -173.2 | 169.7 | -174.6 | 170.3 | 0 | 107.7 | Q144 Q148 | Q144-K146 PolarHBondContact O-N 3.32Å; K146-Q148 PolarHBondContact O-N 2.65Å | ||
| 147 | Q | 30.5 | Very low | 37.9 | Very low | 171 Ų | 171 | 123.7 Ų | 123.7 | 80% | 0.799 | 67% | 0.666 | S | S | * | * | trans | -51.1 | 113.8 | 179.1 | -71.4 | -174.5 | -6 | 0 | 0 | 109.5 | F145 S149 | F145-Q147 PolarHBondContact O-N 3.17Å; Q147-S149 PolarHBondContact O-N 2.7Å | ||
| 148 | Q | 28 | Very low | 37.3 | Very low | 191 Ų | 191 | 126.4 Ų | 126.4 | 89% | 0.893 | 68% | 0.679 | S | S | * | * | trans | -83.5 | 65.7 | 179.1 | -166.1 | 166.1 | -2.1 | 0 | 0 | 109.6 | K146 N150 | K146-Q148 PolarHBondContact O-N 2.65Å; Q148-N150 PolarHBondContact O-N 3.25Å | ||
| 149 | S | 28.8 | Very low | 36.1 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | trans | -66.5 | 100.6 | 176.6 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | Q147 | Q147-S149 PolarHBondContact O-N 2.7Š| ||
| 150 | N | 27.1 | Very low | 35.7 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | trans | -113 | 107.5 | 170.4 | -166.9 | 72.4 | 0 | 0 | 0 | 109.1 | Q148 T152 | Q148-N150 PolarHBondContact O-N 3.25Å; N150-T152 PolarHBondContact O-N 3.31Å | ||
| 151 | P | 29.6 | Very low | 35.1 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | trans | -92.6 | 98.7 | -169.2 | 33.9 | -33 | 0 | 0 | 0 | 112.7 | ||||
| 152 | T | 33.6 | Very low | 35.3 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | trans | -150.7 | 150.8 | 165.1 | -0.1 | 0 | 0 | 0 | 0 | 113.6 | N150 | N150-T152 PolarHBondContact O-N 3.31Š| ||
| 153 | D | 33.7 | Very low | 34.7 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | 62.8 | 72.6 | 158.5 | -54.5 | -21.3 | 0 | 0 | 0 | 118.8 | ||||
| 154 | I | 35.5 | Very low | 34.8 | Very low | 165 Ų | 165 | 139 Ų | 139 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -67.7 | 125.8 | 152.6 | 3.6 | 173.5 | 0 | 0 | 0 | 110.3 | ||||
| 155 | T | 41.4 | Very low | 35.2 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -173.7 | 115.4 | 147.3 | 7.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 156 | P | 37.4 | Very low | 35.8 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | trans | -96.2 | 112.5 | 169.1 | 33.4 | -27.5 | 0 | 0 | 0 | 111 | ||||
| 157 | L | 39.4 | Very low | 36.3 | Very low | 167 Ų | 167 | 134 Ų | 134 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -93 | 113.4 | -180 | -170.1 | 60.7 | 0 | 0 | 0 | 113 | ||||
| 158 | V | 45.1 | Very low | 36.8 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -36.4 | 137.5 | 174.9 | -174.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 159 | N | 33.8 | Very low | 37.5 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -62.3 | 144.9 | 171.2 | -64.9 | -14.2 | 0 | 0 | 0 | 113.1 | ||||
| 160 | T | 41.5 | Very low | 38.3 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -148.4 | 136.9 | 159.1 | -69.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 161 | A | 35.4 | Very low | 39.1 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -121 | 128 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 162 | I | 41.5 | Very low | 40.2 | Very low | 153 Ų | 153 | 131 Ų | 131 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -144.8 | 99 | 169.9 | -59.8 | -176.2 | 0 | 0 | 0 | 106 | ||||
| 163 | T | 39.6 | Very low | 40.8 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | 89.5 | 98 | 81.8 | -60.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 164 | S | 39.1 | Very low | 41 | Very low | 89 Ų | 89 | 131 Ų | 131 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | trans | 44 | 130.4 | 150.9 | 63.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 165 | N | 39.6 | Very low | 41.1 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | -173.9 | 113.3 | 106 | -90.9 | -20.5 | 0 | 0 | 0 | 115.3 | |||||
| 166 | T | 41.1 | Very low | 40.8 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | trans | 42.3 | 148.1 | 134.9 | 58.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 167 | N | 41.1 | Very low | 40.9 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | 80.7 | 130.7 | 152.9 | -66.8 | -7.3 | 0 | 0 | 0 | 118.2 | ||||
| 168 | T | 41.4 | Very low | 40.7 | Very low | 113 Ų | 113 | 127 Ų | 127 | 69% | 0.693 | 74% | 0.739 | S | S | * | * | cis | -157.6 | 151.9 | -9.6 | -29.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 169 | T | 42.8 | Very low | 40.5 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | trans | 27.3 | 123.1 | 152 | 50.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 170 | N | 45.5 | Very low | 41 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | -174.4 | 164 | 57.3 | -102.3 | -30.1 | 0 | 0 | 0 | 112.6 | |||||
| 171 | F | 43.1 | Very low | 41.2 | Very low | 189 Ų | 189 | 126.6 Ų | 126.6 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | trans | 68.4 | 133 | 173.8 | -56.6 | -70.3 | 0 | 0 | 0 | 117.3 | ||||
| 172 | P | 53.7 | Low | 41.5 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | -84.4 | 143.8 | -178.9 | 33.8 | -34.2 | 0 | 0 | 0 | 112.4 | ||||
| 173 | P | 44.6 | Very low | 41.4 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | trans | -72.3 | 143.8 | 167.7 | 30.6 | -32.9 | 0 | 0 | 0 | 110.7 | L175 | P173-L175 HydrophobicContact CG-CD1 3.97Å; P173-L175 PolarHBondContact O-N 3.42Å | ||
| 174 | N | 39 | Very low | 41.6 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | -80.3 | 100.1 | 169 | -175.6 | 1.8 | 0 | 0 | 0 | 108.9 | N176 | N174-N176 VanDerWaalsContact C-N 3.29Å; N174-N176 PolarHBondContact O-N 3.23Å | ||
| 175 | L | 36.9 | Very low | 41.6 | Very low | 145 Ų | 145 | 135 Ų | 135 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -73.5 | 82.1 | 176.2 | -78.5 | 90.2 | 0 | 0 | 0 | 110.8 | P173 | P173-L175 HydrophobicContact CG-CD1 3.97Å; P173-L175 PolarHBondContact O-N 3.42Å | ||
| 176 | N | 35.8 | Very low | 41.4 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | -117.9 | 64.3 | 162.2 | -169.7 | 27.4 | 0 | 0 | 0 | 109.5 | N174 | N174-N176 VanDerWaalsContact C-N 3.29Å; N174-N176 PolarHBondContact O-N 3.23Å | ||
| 177 | T | 38.2 | Very low | 41.3 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -153.1 | 54.3 | -179.2 | -33.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 178 | S | 35.4 | Very low | 41.4 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | -142.3 | 87.3 | 175.4 | -68 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 179 | N | 42 | Very low | 41.7 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -174.3 | -34.2 | 157 | -92.2 | -28.7 | 0 | 0 | 0 | 112 | V181 Y182 | N179-V181 VanDerWaalsContact C-N 3.26Å; N179-V181 PolarHBondContact O-N 2.93Å; N179-Y182 PolarHBondContact O-N 3.01Å |
| 180 | D | 44.7 | Very low | 42.5 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -6.2 | -162.9 | -52.5 | -63.9 | 0 | 0 | 0 | 116.7 | ||
| 181 | V | 45 | Very low | 43.5 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -17 | -177.6 | -176.6 | 0 | 0 | 0 | 0 | 112.9 | N179 | N179-V181 VanDerWaalsContact C-N 3.26Å; N179-V181 PolarHBondContact O-N 2.93Å |
| 182 | Y | 42.2 | Very low | 44.8 | Very low | 215 Ų | 215 | 132.6 Ų | 132.6 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -9.2 | 177.3 | -67.1 | -72.9 | 0 | 0 | 0 | 114.1 | N179 V184 | N179-Y182 PolarHBondContact O-N 3.01Å; Y182-V184 PolarHBondContact O-N 2.86Å |
| 183 | A | 38.2 | Very low | 46 | Very low | 66 Ų | 66 | 129.2 Ų | 129.2 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -72.6 | -24.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | R185 | A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 2.78Å; A183-R185 VanDerWaalsContact O-N 3.14Å |
| 184 | V | 44.2 | Very low | 47.5 | Very low | 134 Ų | 134 | 126 Ų | 126 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 46.4 | -171.7 | -161 | 0 | 0 | 0 | 0 | 112.4 | Y182 | Y182-V184 PolarHBondContact O-N 2.86Š|
| 185 | R | 39.1 | Very low | 49.6 | Very low | 215 Ų | 215 | 119.7 Ų | 119.7 | 81% | 0.811 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143 | 12.3 | 168.3 | -144.4 | -178.7 | 176.5 | 101.6 | -0.6 | 115.7 | A183 Q187 | A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 2.78Å; A183-R185 VanDerWaalsContact O-N 3.14Å; R185-Q187 PolarHBondContact O-N 3.16Å |
| 186 | N | 35.5 | Very low | 51.9 | Low | 148 Ų | 148 | 115.7 Ų | 115.7 | 79% | 0.791 | 60% | 0.604 | S | S | * | * | trans | -80.3 | 41.5 | 178.1 | -76.8 | -7.5 | 0 | 0 | 0 | 114.4 | R188 | N186-R188 PolarHBondContact O-N 3.47Š| ||
| 187 | Q | 39 | Very low | 54.1 | Low | 176 Ų | 176 | 112.4 Ų | 112.4 | 82% | 0.822 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -65.1 | 116.9 | 149 | -76.3 | -176 | -10.7 | 0 | 0 | 105.9 | R185 I189 | R185-Q187 PolarHBondContact O-N 3.16Å; Q187-I189 PolarHBondContact O-N 2.88Å |
| 188 | R | 42.8 | Very low | 56.3 | Low | 231 Ų | 231 | 113 Ų | 113 | 87% | 0.872 | 59% | 0.59 | S | S | * | * | trans | -58.3 | 109.3 | -177.5 | -56.1 | -173.8 | -149.2 | -178.1 | 7.3 | 108.5 | N186 V190 | N186-R188 PolarHBondContact O-N 3.47Å; R188-V190 PolarHBondContact O-N 3.31Å | ||
| 189 | I | 47.9 | Very low | 58.8 | Low | 143 Ų | 143 | 109.8 Ų | 109.8 | 73% | 0.733 | 56% | 0.564 | S | S | * | * | trans | -72 | 87.1 | 168.5 | -56.1 | 177.2 | 0 | 0 | 0 | 105.6 | Q187 D191 | Q187-I189 PolarHBondContact O-N 2.88Å; I189-D191 PolarHBondContact O-N 2.96Å; I189-D191 VanDerWaalsContact O-N 3.12Å | ||
| 190 | V | 59.7 | Low | 61 | Low | 77 Ų | 77 | 104.9 Ų | 104.9 | 47% | 0.467 | 54% | 0.537 | S | S | . | . | trans | -61.5 | 109.4 | 157.5 | -178.8 | 0 | 0 | 0 | 0 | 104.4 | R188 P192 | R188-V190 PolarHBondContact O-N 3.31Å; V190-P192 WeakPolarHBondContact O-CD 3.39Å | ||
| 191 | D | 67.3 | Low | 63 | Low | 60 Ų | 60 | 101 Ų | 101 | 32% | 0.321 | 52% | 0.523 | S | S | . | . | trans | -53.6 | 127.2 | 173.4 | -171.3 | -40 | 0 | 0 | 0 | 107.2 | I189 W193 A194 | I189-D191 PolarHBondContact O-N 2.96Å; I189-D191 VanDerWaalsContact O-N 3.12Å; D191-W193 PolarHBondContact O-N 2.9Å; D191-W193 WeakPolarHBondContact OD1-CB 3.35Å; D191-W193 VanDerWaalsContact OD1-CD1 3.25Å; D191-W193 PolarHBondContact OD1-N 3.08Å; D191-A194 HydrophobicContact CB-CB 4.16Å; D191-A194 WeakPolarHBondContact O-CB 3.3Å; D191-A194 PolarHBondContact O-N 3.1Å | ||
| 192 | P | 70.7 | Confident | 65.2 | Low | 46 Ų | 46 | 98.3 Ų | 98.3 | 30% | 0.299 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.1 | -40.9 | 173.3 | -32.7 | 37.8 | 0 | 0 | 0 | 112.9 | F145 V190 A194 Y266 | F145-P192 HydrophobicContact CD2-CG 4.23Å; F145-P192 HydrophobicContact CE2-CG 4.46Å; V190-P192 WeakPolarHBondContact O-CD 3.39Å; P192-A194 VanDerWaalsContact C-N 3.29Å; P192-A194 PolarHBondContact O-N 3.34Å; P192-Y266 VanDerWaalsContact C-OH 3.26Å; P192-Y266 WeakPolarHBondContact CA-OH 3.41Å; P192-Y266 HydrophobicContact CB-CE1 4Å; P192-Y266 VanDerWaalsContact CB-OH 3.26Å; P192-Y266 WeakPolarHBondContact CB-OH 3.48Å; P192-Y266 VanDerWaalsContact O-CE2 3.32Å; P192-Y266 WeakPolarHBondContact O-CE2 3.43Å; P192-Y266 PolarHBondContact O-OH 3.37Å |
| 193 | W | 78.1 | Confident | 67.6 | Low | 45 Ų | 45 | 88.3 Ų | 88.3 | 17% | 0.17 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.2 | -175.6 | -51.6 | 110.7 | 0 | 0 | 0 | 114.3 | D191 V195 L263 Y266 P274 P278 V280 L281 | D191-W193 PolarHBondContact O-N 2.9Å; D191-W193 WeakPolarHBondContact OD1-CB 3.35Å; D191-W193 VanDerWaalsContact OD1-CD1 3.25Å; D191-W193 PolarHBondContact OD1-N 3.08Å; W193-V195 PolarHBondContact O-N 3.49Å; W193-L263 HydrophobicContact CZ3-CD2 4.02Å; W193-Y266 HydrophobicContact CE3-CD1 4.1Å; W193-Y266 HydrophobicContact CE3-CD2 4.42Å; W193-Y266 HydrophobicContact CE3-CE1 4.3Å; W193-Y266 HydrophobicContact CE3-CG 4.23Å; W193-Y266 AromaticContact CH2-CD1 3.64Å; W193-Y266 HydrophobicContact CH2-CD1 3.64Å; W193-Y266 HydrophobicContact CH2-CE1 4.21Å; W193-Y266 HydrophobicContact CH2-CG 4.23Å; W193-Y266 HydrophobicContact CZ2-CD1 4.49Å; W193-Y266 AromaticContact CZ3-CD1 3.42Å; W193-Y266 HydrophobicContact CZ3-CD1 3.42Å; W193-Y266 VanDerWaalsContact CZ3-CD1 3.42Å; W193-Y266 HydrophobicContact CZ3-CD2 4.21Å; W193-Y266 HydrophobicContact CZ3-CE1 4.02Å; W193-Y266 AromaticContact CZ3-CG 3.59Å; W193-Y266 HydrophobicContact CZ3-CG 3.59Å; W193-P274 HydrophobicContact CH2-CG 4.02Å; W193-P274 HydrophobicContact CZ2-CB 4.49Å; W193-P274 HydrophobicContact CZ2-CG 4.29Å; W193-P278 HydrophobicContact CB-CB 4.33Å; W193-P278 HydrophobicContact CD2-CB 4.4Å; W193-P278 HydrophobicContact CD2-CG 3.76Å; W193-P278 HydrophobicContact CE3-CG 4.42Å; W193-P278 HydrophobicContact CG-CB 3.91Å; W193-P278 HydrophobicContact CG-CG 3.81Å; W193-P278 HydrophobicContact CZ2-CG 4.36Å; W193-V280 HydrophobicContact CB-CB 4.39Å; W193-L281 HydrophobicContact CB-CG 4.15Å; W193-L281 HydrophobicContact CE3-CD1 4.01Å; W193-L281 VanDerWaalsContact O-CD2 3.23Å; W193-L281 WeakPolarHBondContact O-CD2 3.22Å |
| 194 | A | 77.1 | Confident | 70.1 | Confident | 37 Ų | 37 | 86.3 Ų | 86.3 | 31% | 0.306 | 44% | 0.439 | S | S | . | . | trans | -82.3 | 106.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D191 P192 T196 V280 | D191-A194 HydrophobicContact CB-CB 4.16Å; D191-A194 WeakPolarHBondContact O-CB 3.3Å; D191-A194 PolarHBondContact O-N 3.1Å; P192-A194 VanDerWaalsContact C-N 3.29Å; P192-A194 PolarHBondContact O-N 3.34Å; A194-T196 PolarHBondContact O-N 2.83Å; A194-V280 HydrophobicContact CB-CG1 4.24Å | ||
| 195 | V | 81.6 | Confident | 72.3 | Confident | 16 Ų | 16 | 82.2 Ų | 82.2 | 10% | 0.097 | 42% | 0.416 | C | S | . | . | trans | -73.8 | 118.7 | -179.6 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | W193 Q199 K200 Y203 H262 L281 L284 | W193-V195 PolarHBondContact O-N 3.49Å; V195-Q199 HydrophobicContact CG1-CB 3.58Å; V195-K200 HydrophobicContact CB-CG 4.27Å; V195-K200 HydrophobicContact CG1-CG 3.71Å; V195-Y203 HydrophobicContact CG1-CD2 4.02Å; V195-Y203 HydrophobicContact CG1-CE2 3.54Å; V195-H262 HydrophobicContact CG2-CB 4.23Å; V195-L281 HydrophobicContact CG2-CD2 3.87Å; V195-L284 HydrophobicContact CB-CD1 4.27Å; V195-L284 HydrophobicContact CB-CD2 3.91Å; V195-L284 HydrophobicContact CG2-CD1 4.15Å; V195-L284 HydrophobicContact CG2-CD2 3.35Å; V195-L284 HydrophobicContact CG2-CG 4.38Å | ||
| 196 | T | 84.8 | Confident | 74.9 | Confident | 62 Ų | 62 | 72.2 Ų | 72.2 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | trans | -70.8 | 160 | -177 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | A194 D198 Q199 K200 | A194-T196 PolarHBondContact O-N 2.83Å; T196-D198 PolarHBondContact O-N 2.88Å; T196-Q199 WeakPolarHBondContact O-CB 3.47Å; T196-Q199 PolarHBondContact O-N 3.11Å; T196-Q199 VanDerWaalsContact O-N 3.11Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.17Å; T196-Q199 PolarHBondContact OG1-N 3.17Å; T196-K200 WeakPolarHBondContact O-CG 3.38Å; T196-K200 PolarHBondContact O-N 2.62Å | ||
| 197 | S | 81.9 | Confident | 77.6 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.1 | -36.9 | 178.8 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | K200 A201 | S197-K200 PolarHBondContact O-N 2.93Å; S197-A201 WeakPolarHBondContact O-CB 3.21Å; S197-A201 PolarHBondContact O-N 3.2Å |
| 198 | D | 85.7 | Confident | 80.1 | Confident | 132 Ų | 132 | 60 Ų | 60 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -71.8 | -37.9 | 178.7 | -54.4 | -51.1 | 0 | 0 | 0 | 111.4 | T196 Y202 | T196-D198 PolarHBondContact O-N 2.88Å; D198-Y202 VanDerWaalsContact O-CB 3.29Å; D198-Y202 WeakPolarHBondContact O-CB 3.46Å; D198-Y202 PolarHBondContact O-N 2.96Å |
| 199 | Q | 87.4 | Confident | 82.4 | Confident | 32 Ų | 32 | 55 Ų | 55 | 15% | 0.15 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 171 | -72.7 | 171.2 | -19.3 | 0 | 0 | 110.9 | V195 T196 A201 Y202 Y203 | V195-Q199 HydrophobicContact CG1-CB 3.58Å; T196-Q199 WeakPolarHBondContact O-CB 3.47Å; T196-Q199 PolarHBondContact O-N 3.11Å; T196-Q199 VanDerWaalsContact O-N 3.11Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.17Å; T196-Q199 PolarHBondContact OG1-N 3.17Å; Q199-A201 PolarHBondContact O-N 2.94Å; Q199-Y202 PolarHBondContact O-N 2.87Å; Q199-Y203 HydrophobicContact CB-CE1 4.38Å; Q199-Y203 HydrophobicContact CB-CE2 4.13Å; Q199-Y203 WeakPolarHBondContact O-CB 3.49Å; Q199-Y203 WeakPolarHBondContact O-CD1 3.29Å; Q199-Y203 PolarHBondContact O-N 3.41Å |
| 200 | K | 87.6 | Confident | 84.4 | Confident | 35 Ų | 35 | 50.2 Ų | 50.2 | 15% | 0.152 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 177.4 | -67.1 | -157 | 174.2 | -170.7 | 0 | 111.9 | V195 T196 S197 Y202 Y203 L204 T287 W289 | V195-K200 HydrophobicContact CB-CG 4.27Å; V195-K200 HydrophobicContact CG1-CG 3.71Å; T196-K200 WeakPolarHBondContact O-CG 3.38Å; T196-K200 PolarHBondContact O-N 2.62Å; S197-K200 PolarHBondContact O-N 2.93Å; K200-Y202 VanDerWaalsContact C-N 3.34Å; K200-Y202 PolarHBondContact O-N 2.86Å; K200-Y203 PolarHBondContact O-N 3.24Å; K200-L204 WeakPolarHBondContact O-CB 3.32Å; K200-L204 PolarHBondContact O-N 2.69Å; K200-T287 PolarHBondContact NZ-OG1 3.29Å; K200-W289 HydrophobicContact CB-CE3 4.02Å; K200-W289 HydrophobicContact CB-CZ3 3.68Å; K200-W289 HydrophobicContact CD-CE3 3.95Å; K200-W289 HydrophobicContact CD-CH2 4.06Å; K200-W289 HydrophobicContact CD-CZ3 3.59Å; K200-W289 HydrophobicContact CG-CE3 4.12Å; K200-W289 HydrophobicContact CG-CH2 4.11Å; K200-W289 HydrophobicContact CG-CZ3 3.46Å; K200-W289 VanDerWaalsContact CG-CZ3 3.46Å |
| 201 | A | 87.6 | Confident | 85.9 | Confident | 46 Ų | 46 | 48.7 Ų | 48.7 | 38% | 0.38 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S197 Q199 S205 | S197-A201 WeakPolarHBondContact O-CB 3.21Å; S197-A201 PolarHBondContact O-N 3.2Å; Q199-A201 PolarHBondContact O-N 2.94Å; A201-S205 PolarHBondContact O-N 2.93Å; A201-S205 VanDerWaalsContact O-N 3.08Å |
| 202 | Y | 90.1 | Very high | 86.9 | Confident | 77 Ų | 77 | 50.7 Ų | 50.7 | 30% | 0.302 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.1 | -46.9 | 175.9 | -177.7 | -111.6 | 0 | 0 | 0 | 112.3 | F138 D198 Q199 K200 L204 S205 Q206 | F138-Y202 AromaticContact CD1-CE1 3.68Å; F138-Y202 HydrophobicContact CD1-CE1 3.68Å; F138-Y202 WeakPolarHBondContact CD2-OH 3.35Å; F138-Y202 AromaticContact CE1-CE1 3.67Å; F138-Y202 HydrophobicContact CE1-CE1 3.67Å; F138-Y202 VanDerWaalsContact CE2-OH 3.22Å; F138-Y202 WeakPolarHBondContact CE2-OH 3.27Å; F138-Y202 HydrophobicContact CG-CE1 4.14Å; F138-Y202 HydrophobicContact CZ-CE1 4.17Å; F138-Y202 WeakPolarHBondContact CZ-OH 3.09Å; D198-Y202 VanDerWaalsContact O-CB 3.29Å; D198-Y202 WeakPolarHBondContact O-CB 3.46Å; D198-Y202 PolarHBondContact O-N 2.96Å; Q199-Y202 PolarHBondContact O-N 2.87Å; K200-Y202 VanDerWaalsContact C-N 3.34Å; K200-Y202 PolarHBondContact O-N 2.86Å; Y202-L204 PolarHBondContact O-N 2.73Å; Y202-S205 CarbonylContact O-C 3.56Å; Y202-S205 WeakPolarHBondContact O-CA 3.45Å; Y202-S205 WeakPolarHBondContact O-CB 3.49Å; Y202-S205 PolarHBondContact O-N 3.23Å; Y202-S205 VanDerWaalsContact O-N 3.1Å; Y202-S205 PolarHBondContact O-OG 2.75Å; Y202-Q206 HydrophobicContact CD1-CG 4.3Å; Y202-Q206 HydrophobicContact CE1-CG 4Å; Y202-Q206 WeakPolarHBondContact O-CG 3.45Å; Y202-Q206 PolarHBondContact O-N 2.98Å |
| 203 | Y | 92.8 | Very high | 87.9 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -41 | 179.3 | -58.8 | -15.8 | 0 | 0 | 0 | 111.9 | V195 Q199 K200 S205 Q206 F207 C258 M261 H262 V265 | V195-Y203 HydrophobicContact CG1-CD2 4.02Å; V195-Y203 HydrophobicContact CG1-CE2 3.54Å; Q199-Y203 HydrophobicContact CB-CE1 4.38Å; Q199-Y203 HydrophobicContact CB-CE2 4.13Å; Q199-Y203 WeakPolarHBondContact O-CB 3.49Å; Q199-Y203 WeakPolarHBondContact O-CD1 3.29Å; Q199-Y203 PolarHBondContact O-N 3.41Å; K200-Y203 PolarHBondContact O-N 3.24Å; Y203-S205 VanDerWaalsContact C-N 3.32Å; Y203-S205 PolarHBondContact O-N 3.15Å; Y203-Q206 WeakPolarHBondContact O-CA 3.32Å; Y203-Q206 WeakPolarHBondContact O-CB 3.26Å; Y203-Q206 PolarHBondContact O-N 2.87Å; Y203-F207 PolarHBondContact O-N 3.31Å; Y203-C258 VanDerWaalsContact CB-SG 3.53Å; Y203-C258 HydrophobicContact CD2-CB 4.22Å; Y203-M261 HydrophobicContact CD1-CB 4.35Å; Y203-M261 HydrophobicContact CD1-CG 3.28Å; Y203-M261 HydrophobicContact CD1-SD 4.43Å; Y203-M261 HydrophobicContact CD2-CB 4.44Å; Y203-M261 HydrophobicContact CD2-CG 4.15Å; Y203-M261 HydrophobicContact CE1-CG 3.48Å; Y203-M261 VanDerWaalsContact CE1-CG 3.48Å; Y203-M261 HydrophobicContact CE2-CG 4.32Å; Y203-M261 HydrophobicContact CG-CB 4.29Å; Y203-M261 HydrophobicContact CG-CG 3.65Å; Y203-H262 HydrophobicContact CE2-CB 3.9Å; Y203-H262 AromaticContact CE2-ND1 3.93Å; Y203-H262 AromaticContact CZ-ND1 3.94Å; Y203-H262 PolarHBondContact OH-ND1 3.08Å; Y203-V265 HydrophobicContact CE1-CG2 4.5Å |
| 204 | L | 91.2 | Very high | 88.3 | Confident | 24 Ų | 24 | 53 Ų | 53 | 13% | 0.126 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.9 | -43 | 170.8 | 175.8 | 59.7 | 0 | 0 | 0 | 111.8 | K200 Y202 Q206 F207 L208 I214 L254 | K200-L204 WeakPolarHBondContact O-CB 3.32Å; K200-L204 PolarHBondContact O-N 2.69Å; Y202-L204 PolarHBondContact O-N 2.73Å; L204-Q206 PolarHBondContact O-N 3.14Å; L204-F207 PolarHBondContact O-N 2.84Å; L204-L208 HydrophobicContact CD1-CD1 4Å; L204-L208 HydrophobicContact CD1-CG 4.16Å; L204-L208 HydrophobicContact CG-CD1 4.01Å; L204-L208 WeakPolarHBondContact O-CB 3.19Å; L204-L208 WeakPolarHBondContact O-CG 3.31Å; L204-L208 PolarHBondContact O-N 3.43Å; L204-I214 HydrophobicContact CD1-CD1 4.35Å; L204-I214 HydrophobicContact CD1-CG1 4.47Å; L204-L254 HydrophobicContact CD1-CD1 3.84Å; L204-L254 HydrophobicContact CD1-CD2 3.78Å |
| 205 | S | 91.5 | Very high | 88.7 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66 | -25.7 | 173.2 | 82.1 | 0 | 0 | 0 | 0 | 113.2 | A201 Y202 Y203 R209 | A201-S205 PolarHBondContact O-N 2.93Å; A201-S205 VanDerWaalsContact O-N 3.08Å; Y202-S205 CarbonylContact O-C 3.56Å; Y202-S205 WeakPolarHBondContact O-CA 3.45Å; Y202-S205 WeakPolarHBondContact O-CB 3.49Å; Y202-S205 PolarHBondContact O-N 3.23Å; Y202-S205 VanDerWaalsContact O-N 3.1Å; Y202-S205 PolarHBondContact O-OG 2.75Å; Y203-S205 VanDerWaalsContact C-N 3.32Å; Y203-S205 PolarHBondContact O-N 3.15Å; S205-R209 WeakPolarHBondContact O-CD 3.24Å; S205-R209 WeakPolarHBondContact O-CG 3.14Å; S205-R209 PolarHBondContact O-NE 2.8Å |
| 206 | Q | 92.1 | Very high | 89.1 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.028 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -72.4 | -47.8 | 174.1 | -58.9 | -44.3 | -86.4 | 0 | 0 | 110.5 | F138 Y202 Y203 L204 R209 F257 M261 | F138-Q206 HydrophobicContact CE1-CG 4.1Å; F138-Q206 HydrophobicContact CZ-CG 4.19Å; F138-Q206 VanDerWaalsContact CZ-OE1 3.3Å; Y202-Q206 HydrophobicContact CD1-CG 4.3Å; Y202-Q206 HydrophobicContact CE1-CG 4Å; Y202-Q206 WeakPolarHBondContact O-CG 3.45Å; Y202-Q206 PolarHBondContact O-N 2.98Å; Y203-Q206 WeakPolarHBondContact O-CA 3.32Å; Y203-Q206 WeakPolarHBondContact O-CB 3.26Å; Y203-Q206 PolarHBondContact O-N 2.87Å; L204-Q206 PolarHBondContact O-N 3.14Å; Q206-R209 VanDerWaalsContact CD-CZ 3.47Å; Q206-R209 PolarHBondContact O-N 3.22Å; Q206-R209 PolarHBondContact O-NH2 3.29Å; Q206-R209 VanDerWaalsContact OE1-NH1 3.1Å; Q206-F257 HydrophobicContact CB-CE1 4.06Å; Q206-F257 HydrophobicContact CB-CZ 4.18Å; Q206-M261 HydrophobicContact CB-CE 3.74Å; Q206-M261 HydrophobicContact CG-CE 3.91Å |
| 207 | F | 92.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.6 | -51.6 | 176.7 | -172.1 | -91.3 | 0 | 0 | 0 | 111.8 | Y203 L204 R209 L210 Q211 L218 L254 F257 | Y203-F207 PolarHBondContact O-N 3.31Å; L204-F207 PolarHBondContact O-N 2.84Å; F207-R209 PolarHBondContact O-N 2.86Å; F207-L210 PolarHBondContact O-N 3.47Å; F207-Q211 HydrophobicContact CD1-CB 4.49Å; F207-Q211 HydrophobicContact CE1-CB 4.02Å; F207-Q211 HydrophobicContact CE1-CG 4.12Å; F207-Q211 HydrophobicContact CZ-CB 4.18Å; F207-Q211 HydrophobicContact CZ-CG 4.22Å; F207-Q211 PolarHBondContact O-N 3.22Å; F207-L218 HydrophobicContact CE2-CB 3.9Å; F207-L218 HydrophobicContact CZ-CB 4.43Å; F207-L254 HydrophobicContact CB-CD1 3.81Å; F207-L254 HydrophobicContact CD1-CD1 4.06Å; F207-L254 HydrophobicContact CD2-CD1 4.15Å; F207-L254 HydrophobicContact CE1-CB 4.48Å; F207-L254 HydrophobicContact CE2-CB 4.46Å; F207-L254 HydrophobicContact CG-CD1 3.75Å; F207-L254 HydrophobicContact CZ-CB 4.38Å; F207-F257 HydrophobicContact CB-CD1 3.83Å; F207-F257 HydrophobicContact CB-CE1 3.83Å; F207-F257 HydrophobicContact CD2-CB 3.74Å; F207-F257 AromaticContact CD2-CD1 3.67Å; F207-F257 HydrophobicContact CD2-CD1 3.67Å; F207-F257 HydrophobicContact CD2-CD2 4.3Å; F207-F257 HydrophobicContact CD2-CE1 4.32Å; F207-F257 AromaticContact CD2-CG 3.64Å; F207-F257 HydrophobicContact CD2-CG 3.64Å; F207-F257 HydrophobicContact CE2-CB 4.07Å; F207-F257 HydrophobicContact CE2-CG 4.38Å; F207-F257 HydrophobicContact CG-CD1 4.25Å |
| 208 | L | 92 | Very high | 90 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 35% | 0.346 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -15.1 | -177.3 | -81.7 | 171.1 | 0 | 0 | 0 | 115.8 | L204 Q211 P212 I214 | L204-L208 HydrophobicContact CD1-CD1 4Å; L204-L208 HydrophobicContact CD1-CG 4.16Å; L204-L208 HydrophobicContact CG-CD1 4.01Å; L204-L208 WeakPolarHBondContact O-CB 3.19Å; L204-L208 WeakPolarHBondContact O-CG 3.31Å; L204-L208 PolarHBondContact O-N 3.43Å; L208-Q211 WeakPolarHBondContact CA-O 3.31Å; L208-P212 WeakPolarHBondContact CD2-O 3.31Å; L208-I214 HydrophobicContact CD2-CD1 4.11Å; L208-I214 HydrophobicContact CD2-CG1 3.59Å; L208-I214 HydrophobicContact CG-CG1 4.36Å |
| 209 | R | 90.4 | Very high | 90.4 | Very high | 127 Ų | 127 | 48.7 Ų | 48.7 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -16.1 | 175 | -59.9 | 166.1 | -52.5 | 146.8 | 30.5 | 113.2 | S205 Q206 F207 | S205-R209 WeakPolarHBondContact O-CD 3.24Å; S205-R209 WeakPolarHBondContact O-CG 3.14Å; S205-R209 PolarHBondContact O-NE 2.8Å; Q206-R209 VanDerWaalsContact CD-CZ 3.47Å; Q206-R209 PolarHBondContact O-N 3.22Å; Q206-R209 PolarHBondContact O-NH2 3.29Å; Q206-R209 VanDerWaalsContact OE1-NH1 3.1Å; F207-R209 PolarHBondContact O-N 2.86Å |
| 210 | L | 91.2 | Very high | 90.6 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 23% | 0.225 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -45.1 | 175.2 | -56.8 | 174.1 | 0 | 0 | 0 | 109.9 | F207 L218 F226 F257 | F207-L210 PolarHBondContact O-N 3.47Å; L210-L218 HydrophobicContact CB-CD1 3.66Å; L210-L218 HydrophobicContact CB-CD2 4.35Å; L210-L218 HydrophobicContact CD1-CD2 3.83Å; L210-F226 HydrophobicContact CD1-CB 3.94Å; L210-F226 HydrophobicContact CD1-CD1 3.8Å; L210-F226 HydrophobicContact CD1-CD2 3.77Å; L210-F226 HydrophobicContact CD1-CE1 4.29Å; L210-F226 HydrophobicContact CD1-CE2 4.25Å; L210-F226 HydrophobicContact CD1-CG 3.52Å; L210-F226 HydrophobicContact CD1-CZ 4.49Å; L210-F226 HydrophobicContact CD2-CB 4.23Å; L210-F226 HydrophobicContact CD2-CD2 3.71Å; L210-F226 HydrophobicContact CD2-CE2 4.42Å; L210-F226 HydrophobicContact CD2-CG 4.1Å; L210-F226 HydrophobicContact CG-CD2 4.27Å; L210-F226 HydrophobicContact CG-CG 4.43Å; L210-F257 HydrophobicContact CD1-CE2 3.76Å; L210-F257 HydrophobicContact CD1-CZ 3.88Å |
| 211 | Q | 90.6 | Very high | 90.9 | Very high | 44 Ų | 44 | 50.9 Ų | 50.9 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | trans | -132.2 | 105.6 | 179.8 | -177.6 | 64.7 | -76.1 | 0 | 0 | 108.8 | F207 L208 D213 S216 K217 L218 | F207-Q211 HydrophobicContact CD1-CB 4.49Å; F207-Q211 HydrophobicContact CE1-CB 4.02Å; F207-Q211 HydrophobicContact CE1-CG 4.12Å; F207-Q211 HydrophobicContact CZ-CB 4.18Å; F207-Q211 HydrophobicContact CZ-CG 4.22Å; F207-Q211 PolarHBondContact O-N 3.22Å; L208-Q211 WeakPolarHBondContact CA-O 3.31Å; Q211-D213 VanDerWaalsContact C-N 3.27Å; Q211-D213 PolarHBondContact O-N 3.41Å; Q211-S216 WeakPolarHBondContact CG-OG 3.47Å; Q211-S216 PolarHBondContact NE2-OG 3.38Å; Q211-K217 PolarHBondContact NE2-O 2.94Å; Q211-L218 HydrophobicContact CB-CD1 3.96Å | ||
| 212 | P | 89 | Confident | 91.1 | Very high | 102 Ų | 102 | 53.3 Ų | 53.3 | 66% | 0.662 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -71.6 | -16.8 | -175.5 | 27.8 | -35.6 | 0 | 0 | 0 | 114.2 | L208 | L208-P212 WeakPolarHBondContact CD2-O 3.31Š|
| 213 | D | 89.7 | Confident | 91.2 | Very high | 77 Ų | 77 | 49.6 Ų | 49.6 | 41% | 0.412 | 27% | 0.271 | S | S | . | . | trans | -96 | 109.6 | 174.1 | 177.5 | 4.8 | 0 | 0 | 0 | 111.2 | Q211 S215 S216 | Q211-D213 VanDerWaalsContact C-N 3.27Å; Q211-D213 PolarHBondContact O-N 3.41Å; D213-S215 VanDerWaalsContact CG-OG 3.31Å; D213-S215 PolarHBondContact O-N 3.26Å; D213-S215 WeakPolarHBondContact OD1-CB 3.43Å; D213-S215 PolarHBondContact OD1-N 2.97Å; D213-S215 PolarHBondContact OD1-OG 3.15Å; D213-S215 PolarHBondContact OD2-OG 3.41Å; D213-S216 PolarHBondContact O-N 2.88Å; D213-S216 VanDerWaalsContact O-N 3.15Å; D213-S216 PolarHBondContact O-OG 3.01Å | ||
| 214 | I | 86.8 | Confident | 91.2 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 33% | 0.328 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.2 | 178.1 | -60.6 | 176.4 | 0 | 0 | 0 | 112.9 | L204 L208 L254 L290 | L204-I214 HydrophobicContact CD1-CD1 4.35Å; L204-I214 HydrophobicContact CD1-CG1 4.47Å; L208-I214 HydrophobicContact CD2-CD1 4.11Å; L208-I214 HydrophobicContact CD2-CG1 3.59Å; L208-I214 HydrophobicContact CG-CG1 4.36Å; I214-L254 HydrophobicContact CG2-CD2 3.96Å; I214-L290 HydrophobicContact CD1-CD2 4.15Å |
| 215 | S | 86.4 | Confident | 91.3 | Very high | 105 Ų | 105 | 53.1 Ų | 53.1 | 73% | 0.734 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -14.8 | -177.3 | 71.9 | 0 | 0 | 0 | 0 | 113.9 | D213 | D213-S215 VanDerWaalsContact CG-OG 3.31Å; D213-S215 PolarHBondContact O-N 3.26Å; D213-S215 WeakPolarHBondContact OD1-CB 3.43Å; D213-S215 PolarHBondContact OD1-N 2.97Å; D213-S215 PolarHBondContact OD1-OG 3.15Å; D213-S215 PolarHBondContact OD2-OG 3.41Å |
| 216 | S | 89.7 | Confident | 91.4 | Very high | 30 Ų | 30 | 51.2 Ų | 51.2 | 21% | 0.21 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -89.2 | 154.4 | 178.4 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | Q211 D213 | Q211-S216 WeakPolarHBondContact CG-OG 3.47Å; Q211-S216 PolarHBondContact NE2-OG 3.38Å; D213-S216 PolarHBondContact O-N 2.88Å; D213-S216 VanDerWaalsContact O-N 3.15Å; D213-S216 PolarHBondContact O-OG 3.01Å |
| 217 | K | 91.7 | Very high | 91.5 | Very high | 42 Ų | 42 | 51.1 Ų | 51.1 | 18% | 0.183 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 153.3 | 172.5 | -65.2 | -156.6 | 178.5 | -154.9 | 0 | 111.5 | Q211 D247 D249 Q251 T253 E256 | Q211-K217 PolarHBondContact NE2-O 2.94Å; K217-D247 IonicContact NZ-OD1 2.73Å; K217-D247 PolarHBondContact NZ-OD1 2.92Å; K217-D247 IonicContact NZ-OD2 2.69Å; K217-D247 PolarHBondContact NZ-OD2 3.05Å; K217-D249 WeakPolarHBondContact CE-OD2 3.42Å; K217-D249 IonicContact NZ-OD1 3.14Å; K217-D249 PolarHBondContact NZ-OD1 3.38Å; K217-D249 IonicContact NZ-OD2 3.55Å; K217-D249 PolarHBondContact NZ-OD2 2.95Å; K217-Q251 HydrophobicContact CB-CB 3.72Å; K217-Q251 HydrophobicContact CD-CB 3.66Å; K217-Q251 HydrophobicContact CG-CB 4.37Å; K217-T253 HydrophobicContact CD-CG2 4.08Å; K217-T253 HydrophobicContact CG-CG2 3.89Å; K217-E256 IonicContact NZ-OE2 3.84Å |
| 218 | L | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.9 | 171.5 | -178.2 | 68.9 | 0 | 0 | 0 | 109.5 | F207 L210 Q211 Q222 S223 Q251 L252 F257 | F207-L218 HydrophobicContact CE2-CB 3.9Å; F207-L218 HydrophobicContact CZ-CB 4.43Å; L210-L218 HydrophobicContact CB-CD1 3.66Å; L210-L218 HydrophobicContact CB-CD2 4.35Å; L210-L218 HydrophobicContact CD1-CD2 3.83Å; Q211-L218 HydrophobicContact CB-CD1 3.96Å; L218-Q222 HydrophobicContact CD1-CB 3.96Å; L218-Q222 HydrophobicContact CG-CB 4.47Å; L218-S223 VanDerWaalsContact CD2-OG 3.26Å; L218-S223 WeakPolarHBondContact CD2-OG 3.22Å; L218-S223 WeakPolarHBondContact CG-OG 3.41Å; L218-Q251 CarbonylContact O-C 3.55Å; L218-Q251 WeakPolarHBondContact O-CA 3.42Å; L218-Q251 WeakPolarHBondContact O-CB 3.46Å; L218-L252 PolarHBondContact N-O 2.83Å; L218-L252 PolarHBondContact O-N 3.35Å; L218-F257 HydrophobicContact CD2-CD2 3.56Å; L218-F257 HydrophobicContact CD2-CE2 3.74Å; L218-F257 HydrophobicContact CD2-CG 4.48Å |
| 219 | S | 93.8 | Very high | 91.5 | Very high | 51 Ų | 51 | 54.1 Ų | 54.1 | 36% | 0.357 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 138.4 | -175.7 | 179.2 | 0 | 0 | 0 | 0 | 112.2 | L221 Q222 S223 | S219-L221 PolarHBondContact O-N 3.45Å; S219-L221 VanDerWaalsContact O-N 3.08Å; S219-Q222 WeakPolarHBondContact O-CA 3.25Å; S219-Q222 WeakPolarHBondContact O-CB 3.32Å; S219-Q222 PolarHBondContact O-N 2.63Å; S219-S223 PolarHBondContact O-N 3.39Å; S219-S223 PolarHBondContact O-OG 2.99Å |
| 220 | G | 93.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -52.2 | -33.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | S223 K224 W241 G250 | G220-S223 PolarHBondContact O-N 3.08Å; G220-K224 VanDerWaalsContact O-CB 3.24Å; G220-K224 WeakPolarHBondContact O-CB 3Å; G220-K224 PolarHBondContact O-N 3.42Å; G220-W241 VanDerWaalsContact CA-CH2 3.49Å; G220-G250 VanDerWaalsContact CA-O 3.31Å; G220-G250 WeakPolarHBondContact CA-O 3.39Å; G220-G250 PolarHBondContact N-O 3.35Å; G220-G250 VanDerWaalsContact N-O 3.08Å |
| 221 | L | 92.3 | Very high | 91.6 | Very high | 111 Ų | 111 | 52.9 Ų | 52.9 | 58% | 0.581 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.2 | -41.5 | 174.3 | -178.2 | 61.4 | 0 | 0 | 0 | 112.7 | S219 T225 | S219-L221 PolarHBondContact O-N 3.45Å; S219-L221 VanDerWaalsContact O-N 3.08Å; L221-T225 PolarHBondContact O-N 3.19Å; L221-T225 VanDerWaalsContact O-N 3.1Å; L221-T225 PolarHBondContact O-OG1 3.02Å |
| 222 | Q | 92.7 | Very high | 91.7 | Very high | 97 Ų | 97 | 51.9 Ų | 51.9 | 45% | 0.453 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 176.2 | -67.2 | 178.1 | -36.2 | 0 | 0 | 111 | L218 S219 F226 | L218-Q222 HydrophobicContact CD1-CB 3.96Å; L218-Q222 HydrophobicContact CG-CB 4.47Å; S219-Q222 WeakPolarHBondContact O-CA 3.25Å; S219-Q222 WeakPolarHBondContact O-CB 3.32Å; S219-Q222 PolarHBondContact O-N 2.63Å; Q222-F226 WeakPolarHBondContact O-CB 3.34Å; Q222-F226 PolarHBondContact O-N 3.4Å |
| 223 | S | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 174.3 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | L218 S219 G220 F226 F227 | L218-S223 VanDerWaalsContact CD2-OG 3.26Å; L218-S223 WeakPolarHBondContact CD2-OG 3.22Å; L218-S223 WeakPolarHBondContact CG-OG 3.41Å; S219-S223 PolarHBondContact O-N 3.39Å; S219-S223 PolarHBondContact O-OG 2.99Å; G220-S223 PolarHBondContact O-N 3.08Å; S223-F226 PolarHBondContact O-N 3.26Å; S223-F227 WeakPolarHBondContact O-CD2 3.36Å; S223-F227 WeakPolarHBondContact O-CG 3.34Å; S223-F227 PolarHBondContact O-N 2.97Å |
| 224 | K | 92.4 | Very high | 92 | Very high | 22 Ų | 22 | 49 Ų | 49 | 10% | 0.096 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.3 | -58.1 | 175.7 | 171.9 | 164.4 | 169.7 | 147.7 | 0 | 111 | S10 W11 Q13 F14 G220 F226 F227 E228 | S10-K224 VanDerWaalsContact O-CD 3.27Å; S10-K224 WeakPolarHBondContact O-CD 3.44Å; S10-K224 PolarHBondContact O-NZ 3.39Å; W11-K224 HydrophobicContact CH2-CB 4.29Å; W11-K224 HydrophobicContact CH2-CG 4.44Å; W11-K224 HydrophobicContact CZ2-CB 3.69Å; W11-K224 HydrophobicContact CZ2-CG 4.26Å; Q13-K224 PolarHBondContact O-NZ 2.95Å; F14-K224 HydrophobicContact CD2-CD 4.35Å; F14-K224 HydrophobicContact CE2-CD 3.47Å; F14-K224 VanDerWaalsContact CE2-CD 3.47Å; F14-K224 HydrophobicContact CE2-CG 3.84Å; F14-K224 HydrophobicContact CZ-CD 3.78Å; F14-K224 HydrophobicContact CZ-CG 3.84Å; G220-K224 VanDerWaalsContact O-CB 3.24Å; G220-K224 WeakPolarHBondContact O-CB 3Å; G220-K224 PolarHBondContact O-N 3.42Å; K224-F226 PolarHBondContact O-N 3.11Å; K224-F227 PolarHBondContact O-N 3.02Å; K224-F227 VanDerWaalsContact O-N 3.11Å; K224-E228 WeakPolarHBondContact CE-OE1 3.35Å; K224-E228 HydrophobicContact CG-CG 4.29Å; K224-E228 WeakPolarHBondContact CG-OE1 3.46Å; K224-E228 WeakPolarHBondContact O-CB 3.24Å; K224-E228 VanDerWaalsContact O-CG 3.26Å; K224-E228 WeakPolarHBondContact O-CG 3.45Å; K224-E228 PolarHBondContact O-N 3.2Å |
| 225 | T | 92.7 | Very high | 92.4 | Very high | 79 Ų | 79 | 50 Ų | 50 | 49% | 0.485 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62 | -26.4 | 179 | -59.5 | 0 | 0 | 0 | 0 | 113.5 | L221 E228 L229 | L221-T225 PolarHBondContact O-N 3.19Å; L221-T225 VanDerWaalsContact O-N 3.1Å; L221-T225 PolarHBondContact O-OG1 3.02Å; T225-E228 WeakPolarHBondContact CA-OE2 3.26Å; T225-L229 WeakPolarHBondContact O-CG 3.09Å |
| 226 | F | 93.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 47 Ų | 47 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -75.1 | -44.8 | 172.1 | 175.8 | -100.4 | 0 | 0 | 0 | 113 | W135 F138 L210 Q222 S223 K224 L229 F257 M261 | W135-F226 AromaticContact CH2-CE1 3.8Å; W135-F226 HydrophobicContact CH2-CE1 3.8Å; W135-F226 HydrophobicContact CH2-CZ 4.05Å; W135-F226 HydrophobicContact CZ2-CD1 4.21Å; W135-F226 AromaticContact CZ2-CE1 3.6Å; W135-F226 HydrophobicContact CZ2-CE1 3.6Å; W135-F226 HydrophobicContact CZ2-CE2 4.23Å; W135-F226 AromaticContact CZ2-CZ 3.62Å; W135-F226 HydrophobicContact CZ2-CZ 3.62Å; F138-F226 HydrophobicContact CZ-CZ 4.47Å; L210-F226 HydrophobicContact CD1-CB 3.94Å; L210-F226 HydrophobicContact CD1-CD1 3.8Å; L210-F226 HydrophobicContact CD1-CD2 3.77Å; L210-F226 HydrophobicContact CD1-CE1 4.29Å; L210-F226 HydrophobicContact CD1-CE2 4.25Å; L210-F226 HydrophobicContact CD1-CG 3.52Å; L210-F226 HydrophobicContact CD1-CZ 4.49Å; L210-F226 HydrophobicContact CD2-CB 4.23Å; L210-F226 HydrophobicContact CD2-CD2 3.71Å; L210-F226 HydrophobicContact CD2-CE2 4.42Å; L210-F226 HydrophobicContact CD2-CG 4.1Å; L210-F226 HydrophobicContact CG-CD2 4.27Å; L210-F226 HydrophobicContact CG-CG 4.43Å; Q222-F226 WeakPolarHBondContact O-CB 3.34Å; Q222-F226 PolarHBondContact O-N 3.4Å; S223-F226 PolarHBondContact O-N 3.26Å; K224-F226 PolarHBondContact O-N 3.11Å; F226-L229 WeakPolarHBondContact O-CB 3.48Å; F226-L229 PolarHBondContact O-N 3.43Å; F226-F257 AromaticContact CD1-CE2 3.97Å; F226-F257 HydrophobicContact CD1-CE2 3.97Å; F226-F257 HydrophobicContact CD1-CZ 4.23Å; F226-F257 HydrophobicContact CE1-CE2 4.04Å; F226-F257 AromaticContact CE1-CZ 3.85Å; F226-F257 HydrophobicContact CE1-CZ 3.85Å; F226-M261 HydrophobicContact CE1-CE 3.52Å; F226-M261 HydrophobicContact CZ-CE 3.86Å |
| 227 | F | 94.4 | Very high | 93 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76 | -29.2 | -178 | -68.2 | -54.8 | 0 | 0 | 0 | 113.3 | W135 S223 K224 L229 S230 L237 L252 F257 A260 M261 V264 | W135-F227 HydrophobicContact CH2-CD1 4.12Å; S223-F227 WeakPolarHBondContact O-CD2 3.36Å; S223-F227 WeakPolarHBondContact O-CG 3.34Å; S223-F227 PolarHBondContact O-N 2.97Å; K224-F227 PolarHBondContact O-N 3.02Å; K224-F227 VanDerWaalsContact O-N 3.11Å; F227-L229 PolarHBondContact O-N 2.91Å; F227-S230 VanDerWaalsContact O-CB 3.25Å; F227-S230 WeakPolarHBondContact O-CB 3.44Å; F227-S230 PolarHBondContact O-N 3.13Å; F227-S230 PolarHBondContact O-OG 3.13Å; F227-L237 HydrophobicContact CB-CD2 4.09Å; F227-L252 HydrophobicContact CE2-CD1 3.91Å; F227-L252 HydrophobicContact CZ-CD1 4.47Å; F227-F257 HydrophobicContact CE1-CE2 4.21Å; F227-F257 HydrophobicContact CE2-CD2 4.31Å; F227-F257 HydrophobicContact CE2-CE2 4.39Å; F227-F257 AromaticContact CZ-CD2 3.74Å; F227-F257 HydrophobicContact CZ-CD2 3.74Å; F227-F257 AromaticContact CZ-CE2 3.69Å; F227-F257 HydrophobicContact CZ-CE2 3.69Å; F227-A260 HydrophobicContact CE1-CB 4.36Å; F227-A260 HydrophobicContact CE2-CB 3.95Å; F227-A260 HydrophobicContact CZ-CB 3.59Å; F227-M261 HydrophobicContact CE1-CE 4.4Å; F227-V264 HydrophobicContact CD1-CG2 3.96Å; F227-V264 HydrophobicContact CE1-CG2 4.3Å |
| 228 | E | 93.3 | Very high | 93.1 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 34% | 0.341 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -52.8 | -36.9 | 170.8 | -78.3 | 169 | 165.2 | 0 | 0 | 112 | F14 K224 T225 S230 N231 | F14-E228 HydrophobicContact CE1-CG 4.43Å; F14-E228 HydrophobicContact CZ-CG 3.93Å; F14-E228 WeakPolarHBondContact CZ-OE1 3.41Å; K224-E228 WeakPolarHBondContact CE-OE1 3.35Å; K224-E228 HydrophobicContact CG-CG 4.29Å; K224-E228 WeakPolarHBondContact CG-OE1 3.46Å; K224-E228 WeakPolarHBondContact O-CB 3.24Å; K224-E228 VanDerWaalsContact O-CG 3.26Å; K224-E228 WeakPolarHBondContact O-CG 3.45Å; K224-E228 PolarHBondContact O-N 3.2Å; T225-E228 WeakPolarHBondContact CA-OE2 3.26Å; E228-S230 PolarHBondContact O-N 3.39Å; E228-S230 VanDerWaalsContact O-N 3.08Å; E228-N231 PolarHBondContact O-N 3.35Å |
| 229 | L | 91.7 | Very high | 93.1 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 29% | 0.288 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14.5 | 178.2 | -63 | 171.7 | 0 | 0 | 0 | 114.1 | L132 W135 T225 F226 F227 N231 | L132-L229 HydrophobicContact CB-CD1 3.84Å; L132-L229 HydrophobicContact CD1-CD1 4.31Å; W135-L229 VanDerWaalsContact NE1-C 3.33Å; W135-L229 PolarHBondContact NE1-O 3.47Å; T225-L229 WeakPolarHBondContact O-CG 3.09Å; F226-L229 WeakPolarHBondContact O-CB 3.48Å; F226-L229 PolarHBondContact O-N 3.43Å; F227-L229 PolarHBondContact O-N 2.91Å; L229-N231 PolarHBondContact O-N 3.08Å; L229-N231 PolarHBondContact O-ND2 3.01Å; L229-N231 VanDerWaalsContact O-ND2 3.07Å |
| 230 | S | 91.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.035 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -16.2 | 173 | 71 | 0 | 0 | 0 | 0 | 113.1 | F227 E228 L232 | F227-S230 VanDerWaalsContact O-CB 3.25Å; F227-S230 WeakPolarHBondContact O-CB 3.44Å; F227-S230 PolarHBondContact O-N 3.13Å; F227-S230 PolarHBondContact O-OG 3.13Å; E228-S230 PolarHBondContact O-N 3.39Å; E228-S230 VanDerWaalsContact O-N 3.08Å; S230-L232 PolarHBondContact O-N 3.36Å; S230-L232 PolarHBondContact OG-N 2.9Å |
| 231 | N | 92 | Very high | 93.2 | Very high | 140 Ų | 140 | 46.1 Ų | 46.1 | 75% | 0.749 | 25% | 0.253 | S | S | * | . | trans | 62.2 | 22.9 | -173.2 | -45.2 | -90.1 | 0 | 0 | 0 | 113.9 | E228 L229 | E228-N231 PolarHBondContact O-N 3.35Å; L229-N231 PolarHBondContact O-N 3.08Å; L229-N231 PolarHBondContact O-ND2 3.01Å; L229-N231 VanDerWaalsContact O-ND2 3.07Å | ||
| 232 | L | 92.6 | Very high | 93.2 | Very high | 22 Ų | 22 | 46.5 Ų | 46.5 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | trans | -73.7 | 149.2 | 165.6 | -68.9 | -177 | 0 | 0 | 0 | 110.9 | S230 L237 I240 V264 R267 L268 | S230-L232 PolarHBondContact O-N 3.36Å; S230-L232 PolarHBondContact OG-N 2.9Å; L232-L237 HydrophobicContact CB-CD1 4.4Å; L232-L237 HydrophobicContact CB-CD2 3.8Å; L232-L237 HydrophobicContact CB-CG 3.88Å; L232-L237 HydrophobicContact CD1-CD2 4.01Å; L232-L237 HydrophobicContact CG-CD2 4.47Å; L232-I240 HydrophobicContact CD1-CD1 4.09Å; L232-V264 HydrophobicContact CD1-CB 4.27Å; L232-V264 HydrophobicContact CD1-CG1 3.87Å; L232-V264 HydrophobicContact CD1-CG2 4.21Å; L232-R267 HydrophobicContact CD1-CB 3.96Å; L232-R267 HydrophobicContact CD1-CG 3.98Å; L232-R267 HydrophobicContact CD2-CB 4.31Å; L232-R267 HydrophobicContact CD2-CG 3.7Å; L232-L268 HydrophobicContact CD2-CD2 3.77Å; L232-L268 HydrophobicContact CD2-CG 4.24Å; L232-L268 HydrophobicContact CG-CD2 4.11Å; L232-L268 HydrophobicContact CG-CG 4.44Å | ||
| 233 | P | 93.6 | Very high | 93.2 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 42% | 0.422 | 24% | 0.235 | S | C | . | . | trans | -59.3 | 143.8 | 176.3 | -22.8 | 33 | 0 | 0 | 0 | 113 | S235 E236 L237 | P233-S235 VanDerWaalsContact C-N 3.27Å; P233-S235 PolarHBondContact O-N 3.37Å; P233-E236 HydrophobicContact CB-CB 4.42Å; P233-E236 HydrophobicContact CB-CG 4.2Å; P233-E236 HydrophobicContact CG-CG 4.22Å; P233-E236 WeakPolarHBondContact O-CA 3.39Å; P233-E236 WeakPolarHBondContact O-CB 3.13Å; P233-E236 PolarHBondContact O-N 3.13Å; P233-L237 PolarHBondContact O-N 3.32Å | ||
| 234 | S | 92.3 | Very high | 93.2 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 38% | 0.378 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -46.3 | -45.5 | 177 | -51.9 | 0 | 0 | 0 | 0 | 114.1 | F14 L237 S238 | F14-S234 WeakPolarHBondContact CD1-OG 3.31Å; S234-L237 PolarHBondContact O-N 2.92Å; S234-S238 PolarHBondContact O-N 3.27Å |
| 235 | S | 93.7 | Very high | 93.3 | Very high | 86 Ų | 86 | 41.9 Ų | 41.9 | 60% | 0.601 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -70.2 | -28.9 | 179.6 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | P233 K239 | P233-S235 VanDerWaalsContact C-N 3.27Å; P233-S235 PolarHBondContact O-N 3.37Å; S235-K239 PolarHBondContact O-N 3.28Å |
| 236 | E | 93.8 | Very high | 93.1 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 20% | 0.196 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -76.2 | -37.6 | 172.8 | -66.5 | -168.5 | 172.4 | 0 | 0 | 111.2 | P233 K239 I240 R267 I273 | P233-E236 HydrophobicContact CB-CB 4.42Å; P233-E236 HydrophobicContact CB-CG 4.2Å; P233-E236 HydrophobicContact CG-CG 4.22Å; P233-E236 WeakPolarHBondContact O-CA 3.39Å; P233-E236 WeakPolarHBondContact O-CB 3.13Å; P233-E236 PolarHBondContact O-N 3.13Å; E236-K239 PolarHBondContact O-N 3.02Å; E236-I240 VanDerWaalsContact O-CG1 3.31Å; E236-I240 WeakPolarHBondContact O-CG1 3.32Å; E236-I240 PolarHBondContact O-N 3.22Å; E236-R267 IonicContact OE1-CZ 2.78Å; E236-R267 IonicContact OE1-NE 2.65Å; E236-R267 PolarHBondContact OE1-NE 2.97Å; E236-R267 VanDerWaalsContact OE1-NE 3.14Å; E236-R267 IonicContact OE1-NH2 2.82Å; E236-R267 PolarHBondContact OE1-NH2 3.47Å; E236-R267 WeakPolarHBondContact OE2-CG 3.25Å; E236-R267 IonicContact OE2-CZ 3.26Å; E236-R267 IonicContact OE2-NE 2.7Å; E236-R267 PolarHBondContact OE2-NE 3Å; E236-R267 IonicContact OE2-NH2 2.77Å; E236-I273 HydrophobicContact CB-CD1 3.69Å; E236-I273 HydrophobicContact CG-CD1 4.13Å |
| 237 | L | 95.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.6 | -39.2 | 174.6 | -67.8 | 179.6 | 0 | 0 | 0 | 112.2 | W11 F227 L232 P233 S234 I240 W241 V264 | W11-L237 HydrophobicContact CH2-CB 3.89Å; W11-L237 HydrophobicContact CZ3-CB 3.52Å; F227-L237 HydrophobicContact CB-CD2 4.09Å; L232-L237 HydrophobicContact CB-CD1 4.4Å; L232-L237 HydrophobicContact CB-CD2 3.8Å; L232-L237 HydrophobicContact CB-CG 3.88Å; L232-L237 HydrophobicContact CD1-CD2 4.01Å; L232-L237 HydrophobicContact CG-CD2 4.47Å; P233-L237 PolarHBondContact O-N 3.32Å; S234-L237 PolarHBondContact O-N 2.92Å; L237-I240 PolarHBondContact O-N 2.9Å; L237-W241 PolarHBondContact O-N 2.69Å; L237-V264 HydrophobicContact CD2-CG2 4.27Å |
| 238 | S | 93.9 | Very high | 92.7 | Very high | 23 Ų | 23 | 50.7 Ų | 50.7 | 16% | 0.161 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 171.8 | -166.3 | 0 | 0 | 0 | 0 | 111.5 | S234 I240 W241 E242 | S234-S238 PolarHBondContact O-N 3.27Å; S238-I240 VanDerWaalsContact C-N 3.29Å; S238-I240 PolarHBondContact O-N 3.36Å; S238-W241 WeakPolarHBondContact O-CA 3.47Å; S238-W241 VanDerWaalsContact O-CB 3.3Å; S238-W241 WeakPolarHBondContact O-CB 3.31Å; S238-W241 PolarHBondContact O-N 2.86Å; S238-W241 VanDerWaalsContact O-N 3.08Å; S238-E242 WeakPolarHBondContact O-CG 3.38Å; S238-E242 PolarHBondContact O-N 2.88Å; S238-E242 PolarHBondContact OG-OE1 2.97Å |
| 239 | K | 93.7 | Very high | 92.7 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 175.6 | -170.3 | -174.4 | -177.1 | -166.9 | 0 | 112.3 | S235 E236 L243 I273 P274 N275 | S235-K239 PolarHBondContact O-N 3.28Å; E236-K239 PolarHBondContact O-N 3.02Å; K239-L243 HydrophobicContact CG-CD1 4.11Å; K239-L243 WeakPolarHBondContact O-CB 3.36Å; K239-L243 WeakPolarHBondContact O-CD1 3.25Å; K239-L243 WeakPolarHBondContact O-CG 3.4Å; K239-L243 PolarHBondContact O-N 2.95Å; K239-I273 HydrophobicContact CD-CB 4.31Å; K239-I273 HydrophobicContact CD-CG2 3.85Å; K239-I273 HydrophobicContact CG-CG2 4.13Å; K239-I273 PolarHBondContact NZ-O 2.93Å; K239-P274 WeakPolarHBondContact CE-O 3.41Å; K239-P274 PolarHBondContact NZ-O 3.26Å; K239-N275 PolarHBondContact NZ-OD1 3.06Å |
| 240 | I | 94.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.3 | -41.7 | 173.8 | -71.4 | 170.7 | 0 | 0 | 0 | 110.6 | L232 E236 L237 S238 L243 S244 A260 L263 V264 I273 | L232-I240 HydrophobicContact CD1-CD1 4.09Å; E236-I240 VanDerWaalsContact O-CG1 3.31Å; E236-I240 WeakPolarHBondContact O-CG1 3.32Å; E236-I240 PolarHBondContact O-N 3.22Å; L237-I240 PolarHBondContact O-N 2.9Å; S238-I240 VanDerWaalsContact C-N 3.29Å; S238-I240 PolarHBondContact O-N 3.36Å; I240-L243 PolarHBondContact O-N 3.36Å; I240-S244 VanDerWaalsContact O-CB 3.31Å; I240-S244 WeakPolarHBondContact O-CB 3.34Å; I240-S244 PolarHBondContact O-N 3.19Å; I240-S244 PolarHBondContact O-OG 3.48Å; I240-A260 HydrophobicContact CG2-CB 4.11Å; I240-L263 HydrophobicContact CD1-CB 4.3Å; I240-L263 HydrophobicContact CG1-CB 4.04Å; I240-L263 HydrophobicContact CG2-CB 3.99Å; I240-L263 HydrophobicContact CG2-CD1 4.26Å; I240-V264 HydrophobicContact CD1-CG2 3.79Å; I240-V264 HydrophobicContact CG2-CG2 4.23Å; I240-I273 HydrophobicContact CD1-CD1 3.77Å; I240-I273 HydrophobicContact CD1-CG1 4.07Å; I240-I273 HydrophobicContact CG1-CD1 3.78Å; I240-I273 HydrophobicContact CG1-CG1 3.99Å; I240-I273 HydrophobicContact CG1-CG2 4.12Å |
| 241 | W | 93.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 6% | 0.057 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.9 | -56.8 | 174.9 | -176.5 | -85.7 | 0 | 0 | 0 | 111.2 | W11 G220 L237 S238 L243 S244 D245 L252 | W11-W241 AromaticContact CD1-CD2 3.63Å; W11-W241 AromaticContact CD1-CE2 3.81Å; W11-W241 AromaticContact CD1-CG 3.81Å; W11-W241 HydrophobicContact CD2-CB 3.99Å; W11-W241 HydrophobicContact CD2-CD2 4.23Å; W11-W241 HydrophobicContact CD2-CE3 4.48Å; W11-W241 AromaticContact CD2-CG 3.99Å; W11-W241 HydrophobicContact CD2-CG 3.99Å; W11-W241 AromaticContact CE2-CD2 3.61Å; W11-W241 AromaticContact CE2-CE3 3.46Å; W11-W241 VanDerWaalsContact CE2-CE3 3.46Å; W11-W241 AromaticContact CE2-CG 3.84Å; W11-W241 HydrophobicContact CE3-CB 4.25Å; W11-W241 HydrophobicContact CG-CB 4.42Å; W11-W241 HydrophobicContact CG-CD2 4.28Å; W11-W241 HydrophobicContact CG-CG 4.03Å; W11-W241 HydrophobicContact CZ2-CB 4.35Å; W11-W241 HydrophobicContact CZ2-CD2 4.15Å; W11-W241 AromaticContact CZ2-CE3 3.58Å; W11-W241 HydrophobicContact CZ2-CE3 3.58Å; W11-W241 HydrophobicContact CZ2-CG 4.48Å; W11-W241 HydrophobicContact CZ2-CZ3 4.32Å; W11-W241 AromaticContact NE1-CD2 3.15Å; W11-W241 AromaticContact NE1-CE2 3.64Å; W11-W241 AromaticContact NE1-CE3 3.18Å; W11-W241 AromaticContact NE1-CG 3.67Å; W11-W241 AromaticContact NE1-CZ3 3.68Å; G220-W241 VanDerWaalsContact CA-CH2 3.49Å; L237-W241 PolarHBondContact O-N 2.69Å; S238-W241 WeakPolarHBondContact O-CA 3.47Å; S238-W241 VanDerWaalsContact O-CB 3.3Å; S238-W241 WeakPolarHBondContact O-CB 3.31Å; S238-W241 PolarHBondContact O-N 2.86Å; S238-W241 VanDerWaalsContact O-N 3.08Å; W241-L243 PolarHBondContact O-N 2.83Å; W241-L243 VanDerWaalsContact O-N 3.09Å; W241-S244 PolarHBondContact O-N 3.2Å; W241-S244 PolarHBondContact O-OG 3.35Å; W241-D245 HydrophobicContact CZ2-CB 4.12Å; W241-D245 PolarHBondContact NE1-OD2 3.46Å; W241-D245 PolarHBondContact O-N 2.89Å; W241-L252 HydrophobicContact CE3-CD1 4.21Å; W241-L252 HydrophobicContact CE3-CD2 4.34Å; W241-L252 HydrophobicContact CE3-CG 4.43Å; W241-L252 HydrophobicContact CH2-CD1 4.14Å; W241-L252 HydrophobicContact CH2-CD2 3.74Å; W241-L252 HydrophobicContact CH2-CG 3.58Å; W241-L252 HydrophobicContact CZ2-CD2 4.11Å; W241-L252 HydrophobicContact CZ2-CG 4.42Å; W241-L252 HydrophobicContact CZ3-CD1 3.58Å; W241-L252 HydrophobicContact CZ3-CD2 3.86Å; W241-L252 HydrophobicContact CZ3-CG 3.58Å |
| 242 | E | 93.5 | Very high | 92.9 | Very high | 119 Ų | 119 | 44 Ų | 44 | 56% | 0.556 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -56.9 | -25.9 | -179.9 | -68.7 | 159.4 | -134.9 | 0 | 0 | 113.9 | S238 | S238-E242 WeakPolarHBondContact O-CG 3.38Å; S238-E242 PolarHBondContact O-N 2.88Å; S238-E242 PolarHBondContact OG-OE1 2.97Å |
| 243 | L | 92.3 | Very high | 92.9 | Very high | 20 Ų | 20 | 45 Ų | 45 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -6 | 176.7 | -70.1 | 169.9 | 0 | 0 | 0 | 114.2 | K239 I240 W241 L263 I273 P274 | K239-L243 HydrophobicContact CG-CD1 4.11Å; K239-L243 WeakPolarHBondContact O-CB 3.36Å; K239-L243 WeakPolarHBondContact O-CD1 3.25Å; K239-L243 WeakPolarHBondContact O-CG 3.4Å; K239-L243 PolarHBondContact O-N 2.95Å; I240-L243 PolarHBondContact O-N 3.36Å; W241-L243 PolarHBondContact O-N 2.83Å; W241-L243 VanDerWaalsContact O-N 3.09Å; L243-L263 HydrophobicContact CB-CD1 4Å; L243-I273 HydrophobicContact CD1-CG2 3.66Å; L243-P274 VanDerWaalsContact CD1-O 3.27Å; L243-P274 WeakPolarHBondContact CD1-O 3.47Å |
| 244 | S | 92.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -33.1 | -172.6 | 66.6 | 0 | 0 | 0 | 0 | 114.2 | I240 W241 L246 E256 | I240-S244 VanDerWaalsContact O-CB 3.31Å; I240-S244 WeakPolarHBondContact O-CB 3.34Å; I240-S244 PolarHBondContact O-N 3.19Å; I240-S244 PolarHBondContact O-OG 3.48Å; W241-S244 PolarHBondContact O-N 3.2Å; W241-S244 PolarHBondContact O-OG 3.35Å; S244-L246 PolarHBondContact O-N 3.07Å; S244-E256 WeakPolarHBondContact O-CB 3.36Å; S244-E256 WeakPolarHBondContact O-CG 3.36Å |
| 245 | D | 93.7 | Very high | 92.8 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | trans | -76.3 | 93.3 | 169.6 | 179.4 | -0.2 | 0 | 0 | 0 | 108 | W241 H248 D249 G250 L252 | W241-D245 HydrophobicContact CZ2-CB 4.12Å; W241-D245 PolarHBondContact NE1-OD2 3.46Å; W241-D245 PolarHBondContact O-N 2.89Å; D245-H248 PolarHBondContact O-CE1 3.35Å; D245-H248 VanDerWaalsContact O-CE1 3.27Å; D245-H248 PolarHBondContact O-ND1 3.02Å; D245-H248 WeakPolarHBondContact OD1-CA 3.5Å; D245-H248 PolarHBondContact OD1-N 3.23Å; D245-D249 PolarHBondContact OD1-N 3.45Å; D245-G250 PolarHBondContact OD2-N 2.94Å; D245-L252 HydrophobicContact CB-CD2 3.99Å | ||
| 246 | L | 89 | Confident | 92.7 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 35% | 0.351 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -91.6 | -25.6 | -166.8 | -68.5 | 176.4 | 0 | 0 | 0 | 113.5 | S244 E256 I259 L277 L282 V285 | S244-L246 PolarHBondContact O-N 3.07Å; L246-E256 HydrophobicContact CG-CG 4.47Å; L246-E256 PolarHBondContact N-OE1 3.3Å; L246-I259 HydrophobicContact CD1-CD1 4.1Å; L246-L277 HydrophobicContact CD1-CD2 4.49Å; L246-L277 HydrophobicContact CD2-CD2 4.11Å; L246-L282 HydrophobicContact CD1-CD2 3.98Å; L246-L282 HydrophobicContact CD2-CD2 4.31Å; L246-V285 HydrophobicContact CD1-CG2 3.48Å; L246-V285 VanDerWaalsContact CD1-CG2 3.48Å |
| 247 | D | 90.2 | Very high | 92.8 | Very high | 97 Ų | 97 | 34.9 Ų | 34.9 | 52% | 0.519 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -93.8 | -3.5 | 169.8 | 71 | 16 | 0 | 0 | 0 | 113.7 | K217 D249 | K217-D247 IonicContact NZ-OD1 2.73Å; K217-D247 PolarHBondContact NZ-OD1 2.92Å; K217-D247 IonicContact NZ-OD2 2.69Å; K217-D247 PolarHBondContact NZ-OD2 3.05Å; D247-D249 VanDerWaalsContact C-N 3.28Å; D247-D249 PolarHBondContact O-N 3.12Å; D247-D249 WeakPolarHBondContact OD1-CB 3.23Å; D247-D249 PolarHBondContact OD1-N 2.99Å |
| 248 | H | 90.4 | Very high | 92.6 | Very high | 113 Ų | 113 | 34.7 Ų | 34.7 | 52% | 0.523 | 18% | 0.176 | S | C | . | . | trans | 60.7 | 29.5 | 176.7 | -60 | -24 | 0 | 0 | 0 | 113.7 | D245 | D245-H248 PolarHBondContact O-CE1 3.35Å; D245-H248 VanDerWaalsContact O-CE1 3.27Å; D245-H248 PolarHBondContact O-ND1 3.02Å; D245-H248 WeakPolarHBondContact OD1-CA 3.5Å; D245-H248 PolarHBondContact OD1-N 3.23Å | ||
| 249 | D | 93.1 | Very high | 92.5 | Very high | 53 Ų | 53 | 33.6 Ų | 33.6 | 28% | 0.283 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -84.8 | -4.9 | 179.1 | 97.6 | -31.1 | 0 | 0 | 0 | 114.7 | K217 D245 D247 Q251 | K217-D249 WeakPolarHBondContact CE-OD2 3.42Å; K217-D249 IonicContact NZ-OD1 3.14Å; K217-D249 PolarHBondContact NZ-OD1 3.38Å; K217-D249 IonicContact NZ-OD2 3.55Å; K217-D249 PolarHBondContact NZ-OD2 2.95Å; D245-D249 PolarHBondContact OD1-N 3.45Å; D247-D249 VanDerWaalsContact C-N 3.28Å; D247-D249 PolarHBondContact O-N 3.12Å; D247-D249 WeakPolarHBondContact OD1-CB 3.23Å; D247-D249 PolarHBondContact OD1-N 2.99Å; D249-Q251 WeakPolarHBondContact OD1-CA 3.39Å; D249-Q251 VanDerWaalsContact OD1-CB 3.29Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.43Å; D249-Q251 PolarHBondContact OD1-N 2.86Å; D249-Q251 VanDerWaalsContact OD1-O 3.13Å; D249-Q251 PolarHBondContact OD2-NE2 3.12Å |
| 250 | G | 92.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 81.2 | 16.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G220 D245 | G220-G250 VanDerWaalsContact CA-O 3.31Å; G220-G250 WeakPolarHBondContact CA-O 3.39Å; G220-G250 PolarHBondContact N-O 3.35Å; G220-G250 VanDerWaalsContact N-O 3.08Å; D245-G250 PolarHBondContact OD2-N 2.94Å |
| 251 | Q | 93.7 | Very high | 92.5 | Very high | 75 Ų | 75 | 30.7 Ų | 30.7 | 35% | 0.35 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 154.2 | 176.8 | -42.2 | 175.7 | 97.8 | 0 | 0 | 109.4 | K217 L218 D249 | K217-Q251 HydrophobicContact CB-CB 3.72Å; K217-Q251 HydrophobicContact CD-CB 3.66Å; K217-Q251 HydrophobicContact CG-CB 4.37Å; L218-Q251 CarbonylContact O-C 3.55Å; L218-Q251 WeakPolarHBondContact O-CA 3.42Å; L218-Q251 WeakPolarHBondContact O-CB 3.46Å; D249-Q251 WeakPolarHBondContact OD1-CA 3.39Å; D249-Q251 VanDerWaalsContact OD1-CB 3.29Å; D249-Q251 WeakPolarHBondContact OD1-CB 3.43Å; D249-Q251 PolarHBondContact OD1-N 2.86Å; D249-Q251 VanDerWaalsContact OD1-O 3.13Å; D249-Q251 PolarHBondContact OD2-NE2 3.12Å |
| 252 | L | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.5 | 179.9 | -55.8 | 179.2 | 0 | 0 | 0 | 111.1 | L218 F227 W241 D245 E256 F257 A260 | L218-L252 PolarHBondContact N-O 2.83Å; L218-L252 PolarHBondContact O-N 3.35Å; F227-L252 HydrophobicContact CE2-CD1 3.91Å; F227-L252 HydrophobicContact CZ-CD1 4.47Å; W241-L252 HydrophobicContact CE3-CD1 4.21Å; W241-L252 HydrophobicContact CE3-CD2 4.34Å; W241-L252 HydrophobicContact CE3-CG 4.43Å; W241-L252 HydrophobicContact CH2-CD1 4.14Å; W241-L252 HydrophobicContact CH2-CD2 3.74Å; W241-L252 HydrophobicContact CH2-CG 3.58Å; W241-L252 HydrophobicContact CZ2-CD2 4.11Å; W241-L252 HydrophobicContact CZ2-CG 4.42Å; W241-L252 HydrophobicContact CZ3-CD1 3.58Å; W241-L252 HydrophobicContact CZ3-CD2 3.86Å; W241-L252 HydrophobicContact CZ3-CG 3.58Å; D245-L252 HydrophobicContact CB-CD2 3.99Å; L252-E256 HydrophobicContact CB-CB 4.15Å; L252-E256 HydrophobicContact CD2-CB 4.03Å; L252-F257 HydrophobicContact CB-CB 4.09Å; L252-F257 HydrophobicContact CD1-CB 4.4Å; L252-F257 HydrophobicContact CD1-CD2 4.41Å; L252-A260 HydrophobicContact CD1-CB 4.21Å |
| 253 | T | 92.9 | Very high | 92.3 | Very high | 45 Ų | 45 | 24.4 Ų | 24.4 | 28% | 0.276 | 13% | 0.127 | S | C | . | . | trans | -63.9 | 170.3 | 160.1 | 61.3 | 0 | 0 | 0 | 0 | 110.8 | K217 S255 E256 F257 | K217-T253 HydrophobicContact CD-CG2 4.08Å; K217-T253 HydrophobicContact CG-CG2 3.89Å; T253-S255 VanDerWaalsContact C-N 3.26Å; T253-S255 PolarHBondContact O-N 2.81Å; T253-E256 VanDerWaalsContact CB-OE2 3.24Å; T253-E256 WeakPolarHBondContact CB-OE2 3.5Å; T253-E256 VanDerWaalsContact CG2-OE2 3.22Å; T253-E256 WeakPolarHBondContact CG2-OE2 3.41Å; T253-E256 PolarHBondContact N-OE2 3.07Å; T253-E256 PolarHBondContact O-N 3.47Å; T253-E256 VanDerWaalsContact OG1-CG 3.31Å; T253-E256 WeakPolarHBondContact OG1-CG 3.37Å; T253-E256 PolarHBondContact OG1-N 2.86Å; T253-E256 PolarHBondContact OG1-OE2 3.45Å; T253-F257 WeakPolarHBondContact O-CB 3.42Å; T253-F257 PolarHBondContact O-N 3.12Å | ||
| 254 | L | 91.5 | Very high | 92.4 | Very high | 12 Ų | 12 | 23.4 Ų | 23.4 | 6% | 0.063 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53.5 | -43.3 | 172.6 | 174.3 | 64.7 | 0 | 0 | 0 | 112.4 | L204 F207 I214 C258 W289 | L204-L254 HydrophobicContact CD1-CD1 3.84Å; L204-L254 HydrophobicContact CD1-CD2 3.78Å; F207-L254 HydrophobicContact CB-CD1 3.81Å; F207-L254 HydrophobicContact CD1-CD1 4.06Å; F207-L254 HydrophobicContact CD2-CD1 4.15Å; F207-L254 HydrophobicContact CE1-CB 4.48Å; F207-L254 HydrophobicContact CE2-CB 4.46Å; F207-L254 HydrophobicContact CG-CD1 3.75Å; F207-L254 HydrophobicContact CZ-CB 4.38Å; I214-L254 HydrophobicContact CG2-CD2 3.96Å; L254-C258 WeakPolarHBondContact O-CB 3.32Å; L254-C258 PolarHBondContact O-N 2.96Å; L254-C258 PolarHBondContact O-SG 2.86Å; L254-W289 HydrophobicContact CD2-CB 3.57Å; L254-W289 HydrophobicContact CD2-CD2 4.36Å; L254-W289 HydrophobicContact CD2-CG 3.69Å; L254-W289 HydrophobicContact CG-CB 4.49Å; L254-W289 HydrophobicContact CG-CD2 4.4Å; L254-W289 HydrophobicContact CG-CG 4.12Å |
| 255 | S | 90.8 | Very high | 92.3 | Very high | 16 Ų | 16 | 23.7 Ų | 23.7 | 11% | 0.112 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.1 | -48.9 | 179.6 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | T253 C258 I259 V285 W289 | T253-S255 VanDerWaalsContact C-N 3.26Å; T253-S255 PolarHBondContact O-N 2.81Å; S255-C258 PolarHBondContact O-N 2.97Å; S255-I259 WeakPolarHBondContact O-CG1 3.44Å; S255-I259 PolarHBondContact O-N 2.74Å; S255-V285 PolarHBondContact OG-O 3.23Å; S255-W289 PolarHBondContact OG-NE1 2.81Å |
| 256 | E | 93.5 | Very high | 92.1 | Very high | 6 Ų | 6 | 24.1 Ų | 24.1 | 3% | 0.028 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.1 | -42.2 | -178.5 | -67.9 | 168.8 | 127.1 | 0 | 0 | 111.6 | K217 S244 L246 L252 T253 C258 I259 A260 | K217-E256 IonicContact NZ-OE2 3.84Å; S244-E256 WeakPolarHBondContact O-CB 3.36Å; S244-E256 WeakPolarHBondContact O-CG 3.36Å; L246-E256 HydrophobicContact CG-CG 4.47Å; L246-E256 PolarHBondContact N-OE1 3.3Å; L252-E256 HydrophobicContact CB-CB 4.15Å; L252-E256 HydrophobicContact CD2-CB 4.03Å; T253-E256 VanDerWaalsContact CB-OE2 3.24Å; T253-E256 WeakPolarHBondContact CB-OE2 3.5Å; T253-E256 VanDerWaalsContact CG2-OE2 3.22Å; T253-E256 WeakPolarHBondContact CG2-OE2 3.41Å; T253-E256 PolarHBondContact N-OE2 3.07Å; T253-E256 PolarHBondContact O-N 3.47Å; T253-E256 VanDerWaalsContact OG1-CG 3.31Å; T253-E256 WeakPolarHBondContact OG1-CG 3.37Å; T253-E256 PolarHBondContact OG1-N 2.86Å; T253-E256 PolarHBondContact OG1-OE2 3.45Å; E256-C258 VanDerWaalsContact C-N 3.32Å; E256-C258 PolarHBondContact O-N 3.07Å; E256-I259 WeakPolarHBondContact O-CB 3.5Å; E256-I259 PolarHBondContact O-N 2.94Å; E256-I259 VanDerWaalsContact O-N 3.15Å; E256-A260 PolarHBondContact O-N 3.37Å |
| 257 | F | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.9 | -39.9 | 172.4 | 176.5 | -93.9 | 0 | 0 | 0 | 112.1 | Q206 F207 L210 L218 F226 F227 L252 T253 I259 A260 M261 | Q206-F257 HydrophobicContact CB-CE1 4.06Å; Q206-F257 HydrophobicContact CB-CZ 4.18Å; F207-F257 HydrophobicContact CB-CD1 3.83Å; F207-F257 HydrophobicContact CB-CE1 3.83Å; F207-F257 HydrophobicContact CD2-CB 3.74Å; F207-F257 AromaticContact CD2-CD1 3.67Å; F207-F257 HydrophobicContact CD2-CD1 3.67Å; F207-F257 HydrophobicContact CD2-CD2 4.3Å; F207-F257 HydrophobicContact CD2-CE1 4.32Å; F207-F257 AromaticContact CD2-CG 3.64Å; F207-F257 HydrophobicContact CD2-CG 3.64Å; F207-F257 HydrophobicContact CE2-CB 4.07Å; F207-F257 HydrophobicContact CE2-CG 4.38Å; F207-F257 HydrophobicContact CG-CD1 4.25Å; L210-F257 HydrophobicContact CD1-CE2 3.76Å; L210-F257 HydrophobicContact CD1-CZ 3.88Å; L218-F257 HydrophobicContact CD2-CD2 3.56Å; L218-F257 HydrophobicContact CD2-CE2 3.74Å; L218-F257 HydrophobicContact CD2-CG 4.48Å; F226-F257 AromaticContact CD1-CE2 3.97Å; F226-F257 HydrophobicContact CD1-CE2 3.97Å; F226-F257 HydrophobicContact CD1-CZ 4.23Å; F226-F257 HydrophobicContact CE1-CE2 4.04Å; F226-F257 AromaticContact CE1-CZ 3.85Å; F226-F257 HydrophobicContact CE1-CZ 3.85Å; F227-F257 HydrophobicContact CE1-CE2 4.21Å; F227-F257 HydrophobicContact CE2-CD2 4.31Å; F227-F257 HydrophobicContact CE2-CE2 4.39Å; F227-F257 AromaticContact CZ-CD2 3.74Å; F227-F257 HydrophobicContact CZ-CD2 3.74Å; F227-F257 AromaticContact CZ-CE2 3.69Å; F227-F257 HydrophobicContact CZ-CE2 3.69Å; L252-F257 HydrophobicContact CB-CB 4.09Å; L252-F257 HydrophobicContact CD1-CB 4.4Å; L252-F257 HydrophobicContact CD1-CD2 4.41Å; T253-F257 WeakPolarHBondContact O-CB 3.42Å; T253-F257 PolarHBondContact O-N 3.12Å; F257-I259 VanDerWaalsContact C-N 3.33Å; F257-A260 PolarHBondContact O-N 3.25Å; F257-M261 HydrophobicContact CE1-CE 3.65Å; F257-M261 HydrophobicContact CE2-CE 4.32Å; F257-M261 HydrophobicContact CZ-CE 3.43Å; F257-M261 VanDerWaalsContact CZ-CE 3.43Å; F257-M261 WeakPolarHBondContact O-CB 3.34Å; F257-M261 PolarHBondContact O-N 3.45Å |
| 258 | C | 91.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.2 | -31.5 | 175.7 | -74.7 | 0 | 0 | 0 | 0 | 112.8 | Y203 L254 S255 E256 H262 W289 | Y203-C258 VanDerWaalsContact CB-SG 3.53Å; Y203-C258 HydrophobicContact CD2-CB 4.22Å; L254-C258 WeakPolarHBondContact O-CB 3.32Å; L254-C258 PolarHBondContact O-N 2.96Å; L254-C258 PolarHBondContact O-SG 2.86Å; S255-C258 PolarHBondContact O-N 2.97Å; E256-C258 VanDerWaalsContact C-N 3.32Å; E256-C258 PolarHBondContact O-N 3.07Å; C258-H262 WeakPolarHBondContact O-CB 3.26Å; C258-H262 PolarHBondContact O-N 2.93Å; C258-W289 HydrophobicContact CB-CE3 4.5Å; C258-W289 HydrophobicContact CB-CH2 3.17Å; C258-W289 HydrophobicContact CB-CZ2 3.53Å; C258-W289 HydrophobicContact CB-CZ3 3.7Å; C258-W289 WeakPolarHBondContact SG-CZ3 3.48Å |
| 259 | I | 92 | Very high | 92.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.5 | -52.7 | 171.1 | -69.7 | 162.6 | 0 | 0 | 0 | 110.1 | L246 S255 E256 F257 M261 H262 L263 L277 L281 V285 | L246-I259 HydrophobicContact CD1-CD1 4.1Å; S255-I259 WeakPolarHBondContact O-CG1 3.44Å; S255-I259 PolarHBondContact O-N 2.74Å; E256-I259 WeakPolarHBondContact O-CB 3.5Å; E256-I259 PolarHBondContact O-N 2.94Å; E256-I259 VanDerWaalsContact O-N 3.15Å; F257-I259 VanDerWaalsContact C-N 3.33Å; I259-M261 VanDerWaalsContact C-N 3.31Å; I259-M261 PolarHBondContact O-N 2.92Å; I259-H262 PolarHBondContact O-N 3Å; I259-H262 VanDerWaalsContact O-N 3.13Å; I259-L263 HydrophobicContact CG2-CD1 4.09Å; I259-L263 WeakPolarHBondContact O-CG 3.2Å; I259-L263 PolarHBondContact O-N 3.08Å; I259-L277 HydrophobicContact CD1-CD2 4.19Å; I259-L277 HydrophobicContact CG2-CD1 3.6Å; I259-L277 HydrophobicContact CG2-CD2 4.03Å; I259-L281 VanDerWaalsContact CD1-O 3.31Å; I259-L281 WeakPolarHBondContact CD1-O 3.38Å; I259-L281 HydrophobicContact CG1-CB 4.45Å; I259-V285 HydrophobicContact CD1-CG2 3.66Å |
| 260 | A | 93.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.6 | -48.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F227 I240 L252 E256 F257 H262 L263 V264 | F227-A260 HydrophobicContact CE1-CB 4.36Å; F227-A260 HydrophobicContact CE2-CB 3.95Å; F227-A260 HydrophobicContact CZ-CB 3.59Å; I240-A260 HydrophobicContact CG2-CB 4.11Å; L252-A260 HydrophobicContact CD1-CB 4.21Å; E256-A260 PolarHBondContact O-N 3.37Å; F257-A260 PolarHBondContact O-N 3.25Å; A260-H262 PolarHBondContact O-N 3.39Å; A260-L263 PolarHBondContact O-N 3.42Å; A260-V264 WeakPolarHBondContact O-CG2 3.46Å; A260-V264 PolarHBondContact O-N 2.92Å |
| 261 | M | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.3 | -46.3 | 176.8 | -178.2 | 64 | 73.9 | 0 | 0 | 112.3 | W135 F138 Y203 Q206 F226 F227 F257 I259 V264 V265 | W135-M261 HydrophobicContact CH2-CE 4.5Å; W135-M261 HydrophobicContact CH2-SD 4.12Å; W135-M261 HydrophobicContact CZ3-SD 4.19Å; F138-M261 HydrophobicContact CD1-SD 3.95Å; F138-M261 HydrophobicContact CE1-CE 4.02Å; F138-M261 HydrophobicContact CE1-SD 3.5Å; F138-M261 WeakPolarHBondContact CE1-SD 3.33Å; Y203-M261 HydrophobicContact CD1-CB 4.35Å; Y203-M261 HydrophobicContact CD1-CG 3.28Å; Y203-M261 HydrophobicContact CD1-SD 4.43Å; Y203-M261 HydrophobicContact CD2-CB 4.44Å; Y203-M261 HydrophobicContact CD2-CG 4.15Å; Y203-M261 HydrophobicContact CE1-CG 3.48Å; Y203-M261 VanDerWaalsContact CE1-CG 3.48Å; Y203-M261 HydrophobicContact CE2-CG 4.32Å; Y203-M261 HydrophobicContact CG-CB 4.29Å; Y203-M261 HydrophobicContact CG-CG 3.65Å; Q206-M261 HydrophobicContact CB-CE 3.74Å; Q206-M261 HydrophobicContact CG-CE 3.91Å; F226-M261 HydrophobicContact CE1-CE 3.52Å; F226-M261 HydrophobicContact CZ-CE 3.86Å; F227-M261 HydrophobicContact CE1-CE 4.4Å; F257-M261 HydrophobicContact CE1-CE 3.65Å; F257-M261 HydrophobicContact CE2-CE 4.32Å; F257-M261 HydrophobicContact CZ-CE 3.43Å; F257-M261 VanDerWaalsContact CZ-CE 3.43Å; F257-M261 WeakPolarHBondContact O-CB 3.34Å; F257-M261 PolarHBondContact O-N 3.45Å; I259-M261 VanDerWaalsContact C-N 3.31Å; I259-M261 PolarHBondContact O-N 2.92Å; M261-V264 PolarHBondContact O-N 2.99Å; M261-V265 WeakPolarHBondContact O-CG2 3.47Å; M261-V265 PolarHBondContact O-N 2.94Å |
| 262 | H | 91.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 179.1 | -167.1 | 69.9 | 0 | 0 | 0 | 111.6 | V195 Y203 C258 I259 A260 V265 Y266 | V195-H262 HydrophobicContact CG2-CB 4.23Å; Y203-H262 HydrophobicContact CE2-CB 3.9Å; Y203-H262 AromaticContact CE2-ND1 3.93Å; Y203-H262 AromaticContact CZ-ND1 3.94Å; Y203-H262 PolarHBondContact OH-ND1 3.08Å; C258-H262 WeakPolarHBondContact O-CB 3.26Å; C258-H262 PolarHBondContact O-N 2.93Å; I259-H262 PolarHBondContact O-N 3Å; I259-H262 VanDerWaalsContact O-N 3.13Å; A260-H262 PolarHBondContact O-N 3.39Å; H262-V265 PolarHBondContact O-N 2.99Å; H262-Y266 AromaticContact CD2-CD2 3.83Å; H262-Y266 AromaticContact CE1-CD2 3.83Å; H262-Y266 AromaticContact CE1-CE2 3.62Å; H262-Y266 AromaticContact NE2-CD2 3.48Å; H262-Y266 WeakPolarHBondContact NE2-CD2 3.37Å; H262-Y266 AromaticContact NE2-CE2 3.34Å; H262-Y266 VanDerWaalsContact NE2-CE2 3.34Å; H262-Y266 WeakPolarHBondContact NE2-CE2 3.4Å; H262-Y266 WeakPolarHBondContact O-CB 3.36Å; H262-Y266 PolarHBondContact O-N 3.22Å |
| 263 | L | 92.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.2 | -41.2 | 175 | -67 | 173.2 | 0 | 0 | 0 | 112.4 | W193 I240 L243 I259 A260 Y266 R267 P274 L277 L281 | W193-L263 HydrophobicContact CZ3-CD2 4.02Å; I240-L263 HydrophobicContact CD1-CB 4.3Å; I240-L263 HydrophobicContact CG1-CB 4.04Å; I240-L263 HydrophobicContact CG2-CB 3.99Å; I240-L263 HydrophobicContact CG2-CD1 4.26Å; L243-L263 HydrophobicContact CB-CD1 4Å; I259-L263 HydrophobicContact CG2-CD1 4.09Å; I259-L263 WeakPolarHBondContact O-CG 3.2Å; I259-L263 PolarHBondContact O-N 3.08Å; A260-L263 PolarHBondContact O-N 3.42Å; L263-Y266 WeakPolarHBondContact O-CB 3.5Å; L263-Y266 PolarHBondContact O-N 3.1Å; L263-R267 PolarHBondContact O-N 3.15Å; L263-P274 HydrophobicContact CD2-CG 4.13Å; L263-L277 HydrophobicContact CD1-CD1 4.25Å; L263-L281 HydrophobicContact CD2-CD1 4.12Å |
| 264 | V | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.4 | -48.5 | 174.1 | 170.5 | 0 | 0 | 0 | 0 | 111 | W135 F227 L232 L237 I240 A260 M261 Y266 R267 L268 | W135-V264 HydrophobicContact CE3-CG1 4.27Å; W135-V264 HydrophobicContact CH2-CG1 3.92Å; W135-V264 HydrophobicContact CZ3-CG1 3.46Å; W135-V264 VanDerWaalsContact CZ3-CG1 3.46Å; F227-V264 HydrophobicContact CD1-CG2 3.96Å; F227-V264 HydrophobicContact CE1-CG2 4.3Å; L232-V264 HydrophobicContact CD1-CB 4.27Å; L232-V264 HydrophobicContact CD1-CG1 3.87Å; L232-V264 HydrophobicContact CD1-CG2 4.21Å; L237-V264 HydrophobicContact CD2-CG2 4.27Å; I240-V264 HydrophobicContact CD1-CG2 3.79Å; I240-V264 HydrophobicContact CG2-CG2 4.23Å; A260-V264 WeakPolarHBondContact O-CG2 3.46Å; A260-V264 PolarHBondContact O-N 2.92Å; M261-V264 PolarHBondContact O-N 2.99Å; V264-Y266 VanDerWaalsContact C-N 3.29Å; V264-Y266 PolarHBondContact O-N 3.37Å; V264-R267 PolarHBondContact O-N 3.5Å; V264-R267 VanDerWaalsContact O-N 3.13Å; V264-L268 HydrophobicContact CG1-CD1 3.84Å; V264-L268 HydrophobicContact CG1-CG 4.32Å; V264-L268 WeakPolarHBondContact O-CG 3.22Å; V264-L268 PolarHBondContact O-N 2.96Å |
| 265 | V | 91 | Very high | 90.8 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -34.5 | 178.1 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | F138 I142 Y203 M261 H262 N269 | F138-V265 HydrophobicContact CB-CG2 4.18Å; F138-V265 HydrophobicContact CD1-CG2 3.95Å; I142-V265 HydrophobicContact CD1-CG1 4.04Å; Y203-V265 HydrophobicContact CE1-CG2 4.5Å; M261-V265 WeakPolarHBondContact O-CG2 3.47Å; M261-V265 PolarHBondContact O-N 2.94Å; H262-V265 PolarHBondContact O-N 2.99Å; V265-N269 WeakPolarHBondContact O-CB 3.48Å; V265-N269 PolarHBondContact O-N 3.22Å; V265-N269 VanDerWaalsContact O-N 3.12Å; V265-N269 PolarHBondContact O-ND2 3.47Å |
| 266 | Y | 89.4 | Confident | 90.5 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 171.4 | -108 | -98.9 | 0 | 0 | 0 | 112.2 | I142 P192 W193 H262 L263 V264 N269 V271 | I142-Y266 HydrophobicContact CD1-CD2 3.8Å; I142-Y266 HydrophobicContact CD1-CE2 3.45Å; I142-Y266 VanDerWaalsContact CD1-CE2 3.45Å; I142-Y266 HydrophobicContact CG2-CE2 4.18Å; I142-Y266 VanDerWaalsContact CG2-OH 3.22Å; I142-Y266 WeakPolarHBondContact CG2-OH 3.42Å; P192-Y266 VanDerWaalsContact C-OH 3.26Å; P192-Y266 WeakPolarHBondContact CA-OH 3.41Å; P192-Y266 HydrophobicContact CB-CE1 4Å; P192-Y266 VanDerWaalsContact CB-OH 3.26Å; P192-Y266 WeakPolarHBondContact CB-OH 3.48Å; P192-Y266 VanDerWaalsContact O-CE2 3.32Å; P192-Y266 WeakPolarHBondContact O-CE2 3.43Å; P192-Y266 PolarHBondContact O-OH 3.37Å; W193-Y266 HydrophobicContact CE3-CD1 4.1Å; W193-Y266 HydrophobicContact CE3-CD2 4.42Å; W193-Y266 HydrophobicContact CE3-CE1 4.3Å; W193-Y266 HydrophobicContact CE3-CG 4.23Å; W193-Y266 AromaticContact CH2-CD1 3.64Å; W193-Y266 HydrophobicContact CH2-CD1 3.64Å; W193-Y266 HydrophobicContact CH2-CE1 4.21Å; W193-Y266 HydrophobicContact CH2-CG 4.23Å; W193-Y266 HydrophobicContact CZ2-CD1 4.49Å; W193-Y266 AromaticContact CZ3-CD1 3.42Å; W193-Y266 HydrophobicContact CZ3-CD1 3.42Å; W193-Y266 VanDerWaalsContact CZ3-CD1 3.42Å; W193-Y266 HydrophobicContact CZ3-CD2 4.21Å; W193-Y266 HydrophobicContact CZ3-CE1 4.02Å; W193-Y266 AromaticContact CZ3-CG 3.59Å; W193-Y266 HydrophobicContact CZ3-CG 3.59Å; H262-Y266 AromaticContact CD2-CD2 3.83Å; H262-Y266 AromaticContact CE1-CD2 3.83Å; H262-Y266 AromaticContact CE1-CE2 3.62Å; H262-Y266 AromaticContact NE2-CD2 3.48Å; H262-Y266 WeakPolarHBondContact NE2-CD2 3.37Å; H262-Y266 AromaticContact NE2-CE2 3.34Å; H262-Y266 VanDerWaalsContact NE2-CE2 3.34Å; H262-Y266 WeakPolarHBondContact NE2-CE2 3.4Å; H262-Y266 WeakPolarHBondContact O-CB 3.36Å; H262-Y266 PolarHBondContact O-N 3.22Å; L263-Y266 WeakPolarHBondContact O-CB 3.5Å; L263-Y266 PolarHBondContact O-N 3.1Å; V264-Y266 VanDerWaalsContact C-N 3.29Å; V264-Y266 PolarHBondContact O-N 3.37Å; Y266-N269 PolarHBondContact O-N 3.4Å; Y266-V271 HydrophobicContact CD1-CB 3.71Å; Y266-V271 HydrophobicContact CD1-CG1 3.75Å; Y266-V271 HydrophobicContact CD1-CG2 3.82Å; Y266-V271 HydrophobicContact CE1-CB 4.26Å; Y266-V271 HydrophobicContact CE1-CG1 4.11Å; Y266-V271 HydrophobicContact CE1-CG2 3.95Å; Y266-V271 WeakPolarHBondContact O-CB 3.41Å; Y266-V271 PolarHBondContact O-N 3Å; Y266-V271 VanDerWaalsContact O-N 3.13Å |
| 267 | R | 91.3 | Very high | 90 | Very high | 71 Ų | 71 | 35.1 Ų | 35.1 | 27% | 0.268 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.3 | -40.9 | -179.5 | -174.5 | 54.6 | -178.5 | 137.6 | 1.3 | 113.1 | L232 E236 L263 V264 N269 G270 V271 I273 | L232-R267 HydrophobicContact CD1-CB 3.96Å; L232-R267 HydrophobicContact CD1-CG 3.98Å; L232-R267 HydrophobicContact CD2-CB 4.31Å; L232-R267 HydrophobicContact CD2-CG 3.7Å; E236-R267 IonicContact OE1-CZ 2.78Å; E236-R267 IonicContact OE1-NE 2.65Å; E236-R267 PolarHBondContact OE1-NE 2.97Å; E236-R267 VanDerWaalsContact OE1-NE 3.14Å; E236-R267 IonicContact OE1-NH2 2.82Å; E236-R267 PolarHBondContact OE1-NH2 3.47Å; E236-R267 WeakPolarHBondContact OE2-CG 3.25Å; E236-R267 IonicContact OE2-CZ 3.26Å; E236-R267 IonicContact OE2-NE 2.7Å; E236-R267 PolarHBondContact OE2-NE 3Å; E236-R267 IonicContact OE2-NH2 2.77Å; L263-R267 PolarHBondContact O-N 3.15Å; V264-R267 PolarHBondContact O-N 3.5Å; V264-R267 VanDerWaalsContact O-N 3.13Å; R267-N269 PolarHBondContact O-N 3.11Å; R267-G270 WeakPolarHBondContact O-CA 3.39Å; R267-G270 PolarHBondContact O-N 3.42Å; R267-V271 WeakPolarHBondContact CA-O 3.39Å; R267-V271 VanDerWaalsContact CD-O 3.25Å; R267-V271 WeakPolarHBondContact CD-O 3.29Å; R267-I273 HydrophobicContact CB-CD1 4.27Å; R267-I273 HydrophobicContact CB-CG1 4Å; R267-I273 HydrophobicContact CG-CD1 3.93Å; R267-I273 HydrophobicContact CG-CG1 4.09Å |
| 268 | L | 90.6 | Very high | 89.2 | Confident | 54 Ų | 54 | 36.5 Ų | 36.5 | 28% | 0.283 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.3 | -32.5 | 173.9 | -69.9 | 170.5 | 0 | 0 | 0 | 112.4 | W135 L232 V264 G270 | W135-L268 HydrophobicContact CE3-CD1 3.87Å; W135-L268 HydrophobicContact CZ3-CD1 4.32Å; L232-L268 HydrophobicContact CD2-CD2 3.77Å; L232-L268 HydrophobicContact CD2-CG 4.24Å; L232-L268 HydrophobicContact CG-CD2 4.11Å; L232-L268 HydrophobicContact CG-CG 4.44Å; V264-L268 HydrophobicContact CG1-CD1 3.84Å; V264-L268 HydrophobicContact CG1-CG 4.32Å; V264-L268 WeakPolarHBondContact O-CG 3.22Å; V264-L268 PolarHBondContact O-N 2.96Å; L268-G270 PolarHBondContact O-N 2.81Å |
| 269 | N | 87.8 | Confident | 88.4 | Confident | 64 Ų | 64 | 42 Ų | 42 | 34% | 0.342 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 7.5 | 171.4 | -75.3 | -48.3 | 0 | 0 | 0 | 113.9 | V265 Y266 R267 | V265-N269 WeakPolarHBondContact O-CB 3.48Å; V265-N269 PolarHBondContact O-N 3.22Å; V265-N269 VanDerWaalsContact O-N 3.12Å; V265-N269 PolarHBondContact O-ND2 3.47Å; Y266-N269 PolarHBondContact O-N 3.4Å; R267-N269 PolarHBondContact O-N 3.11Å |
| 270 | G | 88 | Confident | 87.4 | Confident | 53 Ų | 53 | 44 Ų | 44 | 55% | 0.546 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 2.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R267 L268 | R267-G270 WeakPolarHBondContact O-CA 3.39Å; R267-G270 PolarHBondContact O-N 3.42Å; L268-G270 PolarHBondContact O-N 2.81Å |
| 271 | V | 88.4 | Confident | 86.4 | Confident | 51 Ų | 51 | 44 Ų | 44 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 137 | 176.9 | -169.1 | 0 | 0 | 0 | 0 | 109.3 | Y266 R267 | Y266-V271 HydrophobicContact CD1-CB 3.71Å; Y266-V271 HydrophobicContact CD1-CG1 3.75Å; Y266-V271 HydrophobicContact CD1-CG2 3.82Å; Y266-V271 HydrophobicContact CE1-CB 4.26Å; Y266-V271 HydrophobicContact CE1-CG1 4.11Å; Y266-V271 HydrophobicContact CE1-CG2 3.95Å; Y266-V271 WeakPolarHBondContact O-CB 3.41Å; Y266-V271 PolarHBondContact O-N 3Å; Y266-V271 VanDerWaalsContact O-N 3.13Å; R267-V271 WeakPolarHBondContact CA-O 3.39Å; R267-V271 VanDerWaalsContact CD-O 3.25Å; R267-V271 WeakPolarHBondContact CD-O 3.29Å |
| 272 | P | 89.1 | Confident | 85.3 | Confident | 95 Ų | 95 | 47.4 Ų | 47.4 | 62% | 0.617 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 139.8 | 175.4 | 27.3 | -34.6 | 0 | 0 | 0 | 111.6 | ||
| 273 | I | 89.9 | Confident | 84.2 | Confident | 17 Ų | 17 | 53.2 Ų | 53.2 | 9% | 0.087 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 126.9 | 174.7 | -62.5 | 149.7 | 0 | 0 | 0 | 108.7 | E236 K239 I240 L243 R267 | E236-I273 HydrophobicContact CB-CD1 3.69Å; E236-I273 HydrophobicContact CG-CD1 4.13Å; K239-I273 HydrophobicContact CD-CB 4.31Å; K239-I273 HydrophobicContact CD-CG2 3.85Å; K239-I273 HydrophobicContact CG-CG2 4.13Å; K239-I273 PolarHBondContact NZ-O 2.93Å; I240-I273 HydrophobicContact CD1-CD1 3.77Å; I240-I273 HydrophobicContact CD1-CG1 4.07Å; I240-I273 HydrophobicContact CG1-CD1 3.78Å; I240-I273 HydrophobicContact CG1-CG1 3.99Å; I240-I273 HydrophobicContact CG1-CG2 4.12Å; L243-I273 HydrophobicContact CD1-CG2 3.66Å; R267-I273 HydrophobicContact CB-CD1 4.27Å; R267-I273 HydrophobicContact CB-CG1 4Å; R267-I273 HydrophobicContact CG-CD1 3.93Å; R267-I273 HydrophobicContact CG-CG1 4.09Å |
| 274 | P | 87.9 | Confident | 83.1 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 16% | 0.162 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 164.1 | -177.6 | 29.9 | -36.1 | 0 | 0 | 0 | 111.4 | W193 K239 L243 L263 P278 | W193-P274 HydrophobicContact CH2-CG 4.02Å; W193-P274 HydrophobicContact CZ2-CB 4.49Å; W193-P274 HydrophobicContact CZ2-CG 4.29Å; K239-P274 WeakPolarHBondContact CE-O 3.41Å; K239-P274 PolarHBondContact NZ-O 3.26Å; L243-P274 VanDerWaalsContact CD1-O 3.27Å; L243-P274 WeakPolarHBondContact CD1-O 3.47Å; L263-P274 HydrophobicContact CD2-CG 4.13Å; P274-P278 HydrophobicContact CG-CG 4.31Å |
| 275 | N | 85.4 | Confident | 81.7 | Confident | 129 Ų | 129 | 56.3 Ų | 56.3 | 69% | 0.69 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -88.2 | -20.4 | 179.9 | -70.2 | -4.9 | 0 | 0 | 0 | 113.6 | K239 | K239-N275 PolarHBondContact NZ-OD1 3.06Š|
| 276 | N | 84.5 | Confident | 80.2 | Confident | 132 Ų | 132 | 64.5 Ų | 64.5 | 71% | 0.706 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -135.4 | 150.9 | 173.2 | -55.1 | -57.1 | 0 | 0 | 0 | 106.9 | P278 | N276-P278 WeakPolarHBondContact O-CD 3.29Š|
| 277 | L | 82.6 | Confident | 78.9 | Confident | 27 Ų | 27 | 66 Ų | 66 | 14% | 0.141 | 37% | 0.369 | C | S | . | . | trans | -68 | 126.3 | 179.1 | -170.3 | 67.9 | 0 | 0 | 0 | 110.7 | L246 I259 L263 L281 L282 | L246-L277 HydrophobicContact CD1-CD2 4.49Å; L246-L277 HydrophobicContact CD2-CD2 4.11Å; I259-L277 HydrophobicContact CD1-CD2 4.19Å; I259-L277 HydrophobicContact CG2-CD1 3.6Å; I259-L277 HydrophobicContact CG2-CD2 4.03Å; L263-L277 HydrophobicContact CD1-CD1 4.25Å; L277-L281 HydrophobicContact CD1-CB 3.78Å; L277-L281 HydrophobicContact CD1-CD1 3.69Å; L277-L281 HydrophobicContact CD1-CG 4.38Å; L277-L281 HydrophobicContact CD2-CB 4.22Å; L277-L281 HydrophobicContact CG-CB 3.95Å; L277-L282 HydrophobicContact CD2-CD2 3.75Å; L277-L282 HydrophobicContact CD2-CG 4.01Å | ||
| 278 | P | 78.9 | Confident | 77.3 | Confident | 28 Ų | 28 | 67.4 Ų | 67.4 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | trans | -63.1 | 141.6 | 175.7 | -23.5 | 34.9 | 0 | 0 | 0 | 112.2 | W193 P274 N276 V280 L281 L282 | W193-P278 HydrophobicContact CB-CB 4.33Å; W193-P278 HydrophobicContact CD2-CB 4.4Å; W193-P278 HydrophobicContact CD2-CG 3.76Å; W193-P278 HydrophobicContact CE3-CG 4.42Å; W193-P278 HydrophobicContact CG-CB 3.91Å; W193-P278 HydrophobicContact CG-CG 3.81Å; W193-P278 HydrophobicContact CZ2-CG 4.36Å; P274-P278 HydrophobicContact CG-CG 4.31Å; N276-P278 WeakPolarHBondContact O-CD 3.29Å; P278-V280 PolarHBondContact O-N 3.4Å; P278-V280 VanDerWaalsContact O-N 3.08Å; P278-L281 PolarHBondContact O-N 2.97Å; P278-L282 PolarHBondContact O-N 3.3Å | ||
| 279 | T | 73.6 | Confident | 75.9 | Confident | 115 Ų | 115 | 65.7 Ų | 65.7 | 71% | 0.706 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -56.9 | -30 | -175.7 | -40.5 | 0 | 0 | 0 | 0 | 114 | L281 L282 E283 | T279-L281 PolarHBondContact O-N 2.67Å; T279-L282 WeakPolarHBondContact O-CA 3.44Å; T279-L282 WeakPolarHBondContact O-CB 3.35Å; T279-L282 PolarHBondContact O-N 2.77Å; T279-E283 PolarHBondContact O-N 2.99Å; T279-E283 VanDerWaalsContact O-N 3.08Å |
| 280 | V | 71.8 | Confident | 74.4 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 26% | 0.255 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.7 | -23.1 | 176.5 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | W193 A194 P278 | W193-V280 HydrophobicContact CB-CB 4.39Å; A194-V280 HydrophobicContact CB-CG1 4.24Å; P278-V280 PolarHBondContact O-N 3.4Å; P278-V280 VanDerWaalsContact O-N 3.08Å |
| 281 | L | 73.5 | Confident | 72.4 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -86.1 | -17.4 | 168.7 | -66.5 | -179.5 | 0 | 0 | 0 | 113.3 | W193 V195 I259 L263 L277 P278 T279 L284 | W193-L281 HydrophobicContact CB-CG 4.15Å; W193-L281 HydrophobicContact CE3-CD1 4.01Å; W193-L281 VanDerWaalsContact O-CD2 3.23Å; W193-L281 WeakPolarHBondContact O-CD2 3.22Å; V195-L281 HydrophobicContact CG2-CD2 3.87Å; I259-L281 VanDerWaalsContact CD1-O 3.31Å; I259-L281 WeakPolarHBondContact CD1-O 3.38Å; I259-L281 HydrophobicContact CG1-CB 4.45Å; L263-L281 HydrophobicContact CD2-CD1 4.12Å; L277-L281 HydrophobicContact CD1-CB 3.78Å; L277-L281 HydrophobicContact CD1-CD1 3.69Å; L277-L281 HydrophobicContact CD1-CG 4.38Å; L277-L281 HydrophobicContact CD2-CB 4.22Å; L277-L281 HydrophobicContact CG-CB 3.95Å; P278-L281 PolarHBondContact O-N 2.97Å; T279-L281 PolarHBondContact O-N 2.67Å; L281-L284 HydrophobicContact CD2-CD2 4.09Å; L281-L284 WeakPolarHBondContact O-CB 3.42Å |
| 282 | L | 70.4 | Confident | 70.2 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 38% | 0.377 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -75.1 | -35.3 | 168.5 | -71.1 | 170.3 | 0 | 0 | 0 | 111.5 | L246 L277 P278 T279 L284 V285 | L246-L282 HydrophobicContact CD1-CD2 3.98Å; L246-L282 HydrophobicContact CD2-CD2 4.31Å; L277-L282 HydrophobicContact CD2-CD2 3.75Å; L277-L282 HydrophobicContact CD2-CG 4.01Å; P278-L282 PolarHBondContact O-N 3.3Å; T279-L282 WeakPolarHBondContact O-CA 3.44Å; T279-L282 WeakPolarHBondContact O-CB 3.35Å; T279-L282 PolarHBondContact O-N 2.77Å; L282-L284 PolarHBondContact O-N 3.3Å; L282-V285 VanDerWaalsContact O-CB 3.25Å; L282-V285 WeakPolarHBondContact O-CB 3.46Å; L282-V285 WeakPolarHBondContact O-CG2 3.45Å; L282-V285 PolarHBondContact O-N 3.42Å |
| 283 | E | 67.4 | Low | 67.7 | Low | 123 Ų | 123 | 74.6 Ų | 74.6 | 58% | 0.575 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -56.8 | -33 | 172.3 | -170 | -179.1 | 168.8 | 0 | 0 | 111.7 | T279 V285 E286 T287 | T279-E283 PolarHBondContact O-N 2.99Å; T279-E283 VanDerWaalsContact O-N 3.08Å; E283-V285 PolarHBondContact O-N 3.47Å; E283-E286 PolarHBondContact O-N 3.11Å; E283-E286 VanDerWaalsContact O-N 3.11Å; E283-T287 HydrophobicContact CG-CG2 4.47Å; E283-T287 WeakPolarHBondContact O-CG2 3.49Å; E283-T287 PolarHBondContact O-N 2.84Å |
| 284 | L | 68.7 | Low | 65.2 | Low | 9 Ų | 9 | 81.5 Ų | 81.5 | 5% | 0.047 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.6 | -27.8 | 174.4 | -109 | 70.1 | 0 | 0 | 0 | 114.1 | V195 L281 L282 T287 W289 | V195-L284 HydrophobicContact CB-CD1 4.27Å; V195-L284 HydrophobicContact CB-CD2 3.91Å; V195-L284 HydrophobicContact CG2-CD1 4.15Å; V195-L284 HydrophobicContact CG2-CD2 3.35Å; V195-L284 HydrophobicContact CG2-CG 4.38Å; L281-L284 HydrophobicContact CD2-CD2 4.09Å; L281-L284 WeakPolarHBondContact O-CB 3.42Å; L282-L284 PolarHBondContact O-N 3.3Å; L284-T287 PolarHBondContact O-OG1 2.8Å; L284-T287 VanDerWaalsContact O-OG1 3.12Å; L284-W289 HydrophobicContact CB-CZ2 4.02Å; L284-W289 HydrophobicContact CD2-CH2 3.49Å; L284-W289 VanDerWaalsContact CD2-CH2 3.49Å; L284-W289 HydrophobicContact CD2-CZ2 3.76Å; L284-W289 HydrophobicContact CG-CH2 3.8Å; L284-W289 HydrophobicContact CG-CZ2 3.71Å; L284-W289 PolarHBondContact O-NE1 3.01Å |
| 285 | V | 65.8 | Low | 62.7 | Low | 58 Ų | 58 | 85.8 Ų | 85.8 | 35% | 0.352 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.8 | -40 | 176.8 | -171.7 | 0 | 0 | 0 | 0 | 110.8 | L246 S255 I259 L282 E283 | L246-V285 HydrophobicContact CD1-CG2 3.48Å; L246-V285 VanDerWaalsContact CD1-CG2 3.48Å; S255-V285 PolarHBondContact OG-O 3.23Å; I259-V285 HydrophobicContact CD1-CG2 3.66Å; L282-V285 VanDerWaalsContact O-CB 3.25Å; L282-V285 WeakPolarHBondContact O-CB 3.46Å; L282-V285 WeakPolarHBondContact O-CG2 3.45Å; L282-V285 PolarHBondContact O-N 3.42Å; E283-V285 PolarHBondContact O-N 3.47Å |
| 286 | E | 59.3 | Low | 60.3 | Low | 177 Ų | 177 | 85 Ų | 85 | 83% | 0.827 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -82.8 | -24.3 | -179.5 | -57.5 | -169.9 | 160.1 | 0 | 0 | 112.8 | E283 N288 | E283-E286 PolarHBondContact O-N 3.11Å; E283-E286 VanDerWaalsContact O-N 3.11Å; E286-N288 PolarHBondContact O-N 2.96Å |
| 287 | T | 61.6 | Low | 58 | Low | 44 Ų | 44 | 85.2 Ų | 85.2 | 27% | 0.27 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -68.3 | 122.5 | 178.4 | 59.9 | 0 | 0 | 0 | 0 | 112.7 | K200 E283 L284 W289 | K200-T287 PolarHBondContact NZ-OG1 3.29Å; E283-T287 HydrophobicContact CG-CG2 4.47Å; E283-T287 WeakPolarHBondContact O-CG2 3.49Å; E283-T287 PolarHBondContact O-N 2.84Å; L284-T287 PolarHBondContact O-OG1 2.8Å; L284-T287 VanDerWaalsContact O-OG1 3.12Å; T287-W289 PolarHBondContact O-N 3.1Å; T287-W289 PolarHBondContact O-NE1 2.92Å |
| 288 | N | 57.5 | Low | 55.7 | Low | 101 Ų | 101 | 88.6 Ų | 88.6 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | trans | -63.9 | 102.9 | 169.3 | -179.2 | 1.3 | 0 | 0 | 0 | 110.9 | E286 L290 S291 | E286-N288 PolarHBondContact O-N 2.96Å; N288-L290 PolarHBondContact O-N 3.37Å; N288-L290 VanDerWaalsContact O-N 3.11Å; N288-L290 WeakPolarHBondContact OD1-CB 3.35Å; N288-L290 PolarHBondContact OD1-N 2.84Å; N288-L290 VanDerWaalsContact OD1-N 3.15Å; N288-S291 VanDerWaalsContact O-CB 3.29Å; N288-S291 WeakPolarHBondContact O-CB 3.32Å; N288-S291 PolarHBondContact O-N 3.05Å; N288-S291 PolarHBondContact O-OG 2.91Å | ||
| 289 | W | 62.5 | Low | 54 | Low | 17 Ų | 17 | 93.1 Ų | 93.1 | 6% | 0.064 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.9 | -178.6 | -68.6 | 86.8 | 0 | 0 | 0 | 115 | K200 L254 S255 C258 L284 T287 S291 | K200-W289 HydrophobicContact CB-CE3 4.02Å; K200-W289 HydrophobicContact CB-CZ3 3.68Å; K200-W289 HydrophobicContact CD-CE3 3.95Å; K200-W289 HydrophobicContact CD-CH2 4.06Å; K200-W289 HydrophobicContact CD-CZ3 3.59Å; K200-W289 HydrophobicContact CG-CE3 4.12Å; K200-W289 HydrophobicContact CG-CH2 4.11Å; K200-W289 HydrophobicContact CG-CZ3 3.46Å; K200-W289 VanDerWaalsContact CG-CZ3 3.46Å; L254-W289 HydrophobicContact CD2-CB 3.57Å; L254-W289 HydrophobicContact CD2-CD2 4.36Å; L254-W289 HydrophobicContact CD2-CG 3.69Å; L254-W289 HydrophobicContact CG-CB 4.49Å; L254-W289 HydrophobicContact CG-CD2 4.4Å; L254-W289 HydrophobicContact CG-CG 4.12Å; S255-W289 PolarHBondContact OG-NE1 2.81Å; C258-W289 HydrophobicContact CB-CE3 4.5Å; C258-W289 HydrophobicContact CB-CH2 3.17Å; C258-W289 HydrophobicContact CB-CZ2 3.53Å; C258-W289 HydrophobicContact CB-CZ3 3.7Å; C258-W289 WeakPolarHBondContact SG-CZ3 3.48Å; L284-W289 HydrophobicContact CB-CZ2 4.02Å; L284-W289 HydrophobicContact CD2-CH2 3.49Å; L284-W289 VanDerWaalsContact CD2-CH2 3.49Å; L284-W289 HydrophobicContact CD2-CZ2 3.76Å; L284-W289 HydrophobicContact CG-CH2 3.8Å; L284-W289 HydrophobicContact CG-CZ2 3.71Å; L284-W289 PolarHBondContact O-NE1 3.01Å; T287-W289 PolarHBondContact O-N 3.1Å; T287-W289 PolarHBondContact O-NE1 2.92Å; W289-S291 PolarHBondContact O-N 2.85Å |
| 290 | L | 55.7 | Low | 52.4 | Low | 107 Ų | 107 | 93.4 Ų | 93.4 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -14 | 177.5 | -61.1 | 165.6 | 0 | 0 | 0 | 112.6 | I214 N288 T292 | I214-L290 HydrophobicContact CD1-CD2 4.15Å; N288-L290 PolarHBondContact O-N 3.37Å; N288-L290 VanDerWaalsContact O-N 3.11Å; N288-L290 WeakPolarHBondContact OD1-CB 3.35Å; N288-L290 PolarHBondContact OD1-N 2.84Å; N288-L290 VanDerWaalsContact OD1-N 3.15Å; L290-T292 PolarHBondContact O-N 3.34Å |
| 291 | S | 46.3 | Very low | 51.2 | Low | 79 Ų | 79 | 97.9 Ų | 97.9 | 55% | 0.552 | 56% | 0.559 | S | S | * | * | trans | -78.1 | 42 | -178.7 | -61.6 | 0 | 0 | 0 | 0 | 114 | N288 W289 | N288-S291 VanDerWaalsContact O-CB 3.29Å; N288-S291 WeakPolarHBondContact O-CB 3.32Å; N288-S291 PolarHBondContact O-N 3.05Å; N288-S291 PolarHBondContact O-OG 2.91Å; W289-S291 PolarHBondContact O-N 2.85Å | ||
| 292 | T | 42.1 | Very low | 49.8 | Very low | 55 Ų | 55 | 106 Ų | 106 | 34% | 0.337 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -101 | 122.8 | 162.9 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | L290 | L290-T292 PolarHBondContact O-N 3.34Š|
| 293 | K | 36.1 | Very low | 48.3 | Very low | 210 Ų | 210 | 107 Ų | 107 | 91% | 0.913 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 71.4 | 46.2 | 178.2 | -154 | -170.9 | -179 | -179.6 | 0 | 117.1 | ||
| 294 | L | 38.1 | Very low | 47 | Very low | 161 Ų | 161 | 108 Ų | 108 | 84% | 0.843 | 62% | 0.622 | S | S | * | * | trans | -142.2 | 26.4 | 165 | -115.8 | 170.1 | 0 | 0 | 0 | 115 | ||||
| 295 | S | 34.7 | Very low | 45.4 | Very low | 116 Ų | 116 | 114 Ų | 114 | 81% | 0.811 | 66% | 0.659 | S | S | * | * | trans | -130.4 | 60.3 | -178.4 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 296 | S | 34.8 | Very low | 44.1 | Very low | 113 Ų | 113 | 117.1 Ų | 117.1 | 79% | 0.79 | 68% | 0.679 | S | S | * | * | trans | -135.1 | 42.4 | 179.5 | 68.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 297 | T | 37.6 | Very low | 43.1 | Very low | 135 Ų | 135 | 114.3 Ų | 114.3 | 83% | 0.828 | 67% | 0.673 | S | S | * | * | trans | -162.2 | 140.5 | 165.8 | 16.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 298 | S | 34.3 | Very low | 41.9 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | trans | 108.7 | 70.2 | 163.9 | -48.8 | 0 | 0 | 0 | 0 | 118.9 | T300 | S298-T300 PolarHBondContact O-N 3.27Š| ||
| 299 | P | 42.5 | Very low | 40.9 | Very low | 124 Ų | 124 | 118.2 Ų | 118.2 | 81% | 0.805 | 71% | 0.711 | S | S | * | * | trans | -76.8 | 99.9 | 147 | 32.2 | -28.6 | 0 | 0 | 0 | 109.4 | V301 | P299-V301 PolarHBondContact O-N 2.96Š| ||
| 300 | T | 40.1 | Very low | 39.8 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | -64.9 | 107.9 | -178.5 | -51 | 0 | 0 | 0 | 0 | 111.5 | S298 K302 | S298-T300 PolarHBondContact O-N 3.27Å; T300-K302 PolarHBondContact O-N 3.48Å | ||
| 301 | V | 47.2 | Very low | 38.9 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -65.7 | 105.7 | 178.2 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | P299 A303 | P299-V301 PolarHBondContact O-N 2.96Å; V301-A303 PolarHBondContact O-N 3.14Å | ||
| 302 | K | 42.9 | Very low | 38.6 | Very low | 172 Ų | 172 | 128.4 Ų | 128.4 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 103.1 | 170.6 | -68.7 | -177.5 | 179.6 | 178.7 | 0 | 109.3 | T300 N304 | T300-K302 PolarHBondContact O-N 3.48Å; K302-N304 PolarHBondContact O-N 3.41Å; K302-N304 VanDerWaalsContact O-N 3.08Å | ||
| 303 | A | 39.6 | Very low | 38.4 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -71.5 | 97.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V301 T305 | V301-A303 PolarHBondContact O-N 3.14Å; A303-T305 PolarHBondContact O-N 3.28Å | ||
| 304 | N | 39.7 | Very low | 38.6 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -78.7 | 108.4 | 174 | -80.1 | 1.7 | 0 | 0 | 0 | 110.5 | K302 T306 | K302-N304 PolarHBondContact O-N 3.41Å; K302-N304 VanDerWaalsContact O-N 3.08Å; N304-T306 PolarHBondContact O-N 3.04Å | ||
| 305 | T | 36.1 | Very low | 38.7 | Very low | 135 Ų | 135 | 126.1 Ų | 126.1 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -72.9 | 115.1 | 174.5 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | A303 | A303-T305 PolarHBondContact O-N 3.28Š| ||
| 306 | T | 38.5 | Very low | 39.1 | Very low | 124 Ų | 124 | 126 Ų | 126 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -128.4 | 95 | 164.7 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | N304 | N304-T306 PolarHBondContact O-N 3.04Š| ||
| 307 | T | 37.2 | Very low | 39.2 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | trans | 21.2 | 111.9 | 136.6 | -45.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 308 | T | 36.8 | Very low | 39 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | -148.6 | 133.6 | 128.1 | -64.2 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 309 | A | 35.9 | Very low | 39.1 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -114 | 125 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 310 | T | 39.9 | Very low | 38.9 | Very low | 137 Ų | 137 | 131 Ų | 131 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -143.1 | 121.1 | 165.7 | 19.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 311 | T | 37.3 | Very low | 38.7 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -86.7 | 123.2 | -178.3 | 50 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 312 | T | 39.9 | Very low | 38.3 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -151.8 | 126.4 | 142.5 | -4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 313 | T | 36.6 | Very low | 37.9 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -48.7 | 133.6 | 169.6 | -49.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 314 | A | 40.7 | Very low | 37.7 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -150.2 | 133.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 315 | N | 40 | Very low | 37.5 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | trans | -99 | 138 | -175.9 | -60.5 | -32.2 | 0 | 0 | 0 | 111.8 | ||||
| 316 | S | 43.9 | Very low | 37.1 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -163 | 116.4 | 146.4 | 39.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 317 | N | 36.7 | Very low | 36.6 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -81.8 | 138.2 | 169.7 | -71.8 | -8.8 | 0 | 0 | 0 | 110 | ||||
| 318 | C | 33.8 | Very low | 36.4 | Very low | 128 Ų | 128 | 134.1 Ų | 134.1 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -139.3 | 62.9 | 163.8 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 319 | T | 35.7 | Very low | 36.3 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | -71.3 | 123.7 | 165.9 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 320 | N | 38.3 | Very low | 36 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -155 | 138.5 | 153.6 | -92.4 | -36.9 | 0 | 0 | 0 | 108.4 | ||||
| 321 | N | 36 | Very low | 35.6 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -105.8 | 147.6 | -168.8 | -51 | -37.8 | 0 | 0 | 0 | 111.4 | ||||
| 322 | H | 38.9 | Very low | 35.3 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -159.9 | 145.9 | 140.6 | -126.8 | -106.1 | 0 | 0 | 0 | 111.2 | ||||
| 323 | E | 34.2 | Very low | 34.7 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | trans | 22 | 131.6 | 152.1 | -70.1 | 170.2 | 154 | 0 | 0 | 120.3 | ||||
| 324 | L | 36.3 | Very low | 34.4 | Very low | 149 Ų | 149 | 139.5 Ų | 139.5 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | cis | -135.6 | 135.4 | 6.2 | -67.5 | 97.6 | 0 | 0 | 0 | 108.6 | ||||
| 325 | T | 34.1 | Very low | 34.1 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | 57.8 | 112.4 | 69.8 | 56.1 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 326 | N | 29.4 | Very low | 33.5 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | 68.9 | 145.2 | 167.1 | -55.5 | -21.4 | 0 | 0 | 0 | 116.7 | ||||
| 327 | C | 28.2 | Very low | 33 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 72% | 0.716 | 78% | 0.775 | S | S | * | * | cis | -128.4 | 147.7 | 17.4 | -61.1 | 0 | 0 | 0 | 0 | 114.1 | L329 | C327-L329 HydrophobicContact CB-CG 4.34Š| ||
| 328 | T | 32.7 | Very low | 32.8 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | trans | -93.8 | 123.2 | 145.1 | -65.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 329 | L | 33.4 | Very low | 32.6 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -133.5 | 116.7 | 161.8 | -69.3 | 173.7 | 0 | 0 | 0 | 106.4 | C327 | C327-L329 HydrophobicContact CB-CG 4.34Š| ||
| 330 | N | 30.9 | Very low | 32.7 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | 68.4 | 132 | 56.9 | -82.2 | -6.9 | 0 | 0 | 0 | 115.9 | |||||
| 331 | F | 29.9 | Very low | 32.3 | Very low | 207 Ų | 207 | 141.5 Ų | 141.5 | 91% | 0.908 | 77% | 0.765 | S | S | * | * | trans | -63.5 | 123 | 160 | -88.2 | -110.6 | 0 | 0 | 0 | 111 | ||||
| 332 | T | 31.2 | Very low | 32.1 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -164 | 122.3 | 144.4 | 28 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 333 | C | 28.4 | Very low | 31.5 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 71% | 0.709 | 77% | 0.768 | S | S | * | * | 71.8 | 114.8 | 53.5 | -158 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 334 | Q | 30.4 | Very low | 31.4 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | 81.2 | 146.9 | 157.3 | -78.2 | 176.6 | 13.5 | 0 | 0 | 122.7 | ||||
| 335 | Q | 34.4 | Very low | 31.2 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 61.8 | 124 | 158.3 | -99.7 | 61.3 | -5.9 | 0 | 0 | 122.7 | ||||
| 336 | N | 27.3 | Very low | 31.1 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -60.7 | 147.1 | 161.4 | -46.1 | -66.2 | 0 | 0 | 0 | 112.1 | ||||
| 337 | H | 33.5 | Very low | 31.3 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | trans | -162.6 | 113.4 | 134.9 | -91.5 | -64.3 | 0 | 0 | 0 | 108.1 | ||||
| 338 | I | 32.8 | Very low | 31.5 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | 72.5 | 128.7 | 98 | -64.5 | -176.5 | 0 | 0 | 0 | 115 | |||||
| 339 | S | 29.2 | Very low | 31.7 | Very low | 105 Ų | 105 | 143 Ų | 143 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -56.4 | -176.6 | 175.4 | -38 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 340 | P | 37.2 | Very low | 31.8 | Very low | 110 Ų | 110 | 143 Ų | 143 | 71% | 0.714 | 77% | 0.769 | S | S | * | * | cis | -152.6 | -176.2 | 19.4 | 45.2 | -23.6 | 0 | 0 | 0 | 119.7 | ||||
| 341 | V | 29.9 | Very low | 31.9 | Very low | 148 Ų | 148 | 142 Ų | 142 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | 64.6 | 143 | 144.6 | 160.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 342 | G | 32.8 | Very low | 32 | Very low | 71 Ų | 71 | 137 Ų | 137 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | 143 | 103.4 | 147.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 343 | Y | 26.2 | Very low | 32.1 | Very low | 225 Ų | 225 | 139.3 Ų | 139.3 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | -103.7 | 138.5 | 166.3 | -104.1 | -83.7 | 0 | 0 | 0 | 110.6 | ||||
| 344 | K | 31 | Very low | 32.3 | Very low | 189 Ų | 189 | 140.9 Ų | 140.9 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 61.2 | 124.9 | 167.1 | -56.7 | -178.8 | 176.2 | -178 | 0 | 115.1 | ||||
| 345 | S | 32.2 | Very low | 32.5 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | 179.5 | 148 | 65.4 | -100.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 346 | I | 32.3 | Very low | 32.5 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | trans | 70 | 116.6 | 134.7 | -61.6 | 170.9 | 0 | 0 | 0 | 119.4 | ||||
| 347 | D | 32.4 | Very low | 32.8 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | trans | 68.8 | 115.2 | 145 | -56 | -5.1 | 0 | 0 | 0 | 124.4 | ||||
| 348 | M | 32.5 | Very low | 33.1 | Very low | 169 Ų | 169 | 140.6 Ų | 140.6 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | trans | -58.6 | 163.4 | 150 | -156.9 | 49.7 | 86.2 | 0 | 0 | 109.5 | ||||
| 349 | P | 38.7 | Very low | 33.1 | Very low | 96 Ų | 96 | 141 Ų | 141 | 62% | 0.623 | 76% | 0.76 | S | S | * | * | cis | -161 | 174.9 | 39.8 | 47.3 | -25.2 | 0 | 0 | 0 | 122.6 | ||||
| 350 | N | 33.9 | Very low | 33.3 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | 79.6 | 148.8 | 143 | -70.6 | -18.5 | 0 | 0 | 0 | 123.2 | ||||
| 351 | S | 34.6 | Very low | 33.1 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 81.3 | 135.5 | 157.5 | -160.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 352 | C | 30.7 | Very low | 33.4 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | cis | -178.4 | 133.9 | -33.5 | -114.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 353 | Q | 33.3 | Very low | 33.5 | Very low | 172 Ų | 172 | 146.9 Ų | 146.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | 64.6 | 167 | 160.2 | -53 | 173.9 | -17.5 | 0 | 0 | 115.4 | ||||
| 354 | H | 33.8 | Very low | 33.7 | Very low | 139 Ų | 139 | 143 Ų | 143 | 64% | 0.644 | 75% | 0.747 | S | S | * | * | cis | -160.4 | 130.2 | 23.1 | -153.8 | -90.6 | 0 | 0 | 0 | 112 | ||||
| 355 | Y | 33.8 | Very low | 33.9 | Very low | 187 Ų | 187 | 139.4 Ų | 139.4 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | 58.7 | 113.7 | 149.3 | -78 | -119.3 | 0 | 0 | 0 | 124 | ||||
| 356 | D | 34.8 | Very low | 34.1 | Very low | 120 Ų | 120 | 139.8 Ų | 139.8 | 64% | 0.642 | 75% | 0.749 | S | S | * | * | 59.7 | 121.5 | 115.5 | -74 | -34.5 | 0 | 0 | 0 | 125.4 | |||||
| 357 | N | 33.3 | Very low | 34.4 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 68% | 0.679 | 75% | 0.75 | S | S | * | * | trans | 57.8 | 121.5 | 130.7 | -58.6 | -47 | 0 | 0 | 0 | 121.9 | ||||
| 358 | H | 40.1 | Very low | 34.8 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | -166.7 | 140.4 | 105.1 | -103.5 | -73.1 | 0 | 0 | 0 | 112.4 | |||||
| 359 | N | 32.4 | Very low | 35.3 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -77.6 | 138.2 | 172 | -100.8 | -33.6 | 0 | 0 | 0 | 111.6 | ||||
| 360 | L | 34.3 | Very low | 35.1 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | trans | -155.2 | 148.1 | 148.4 | -111.3 | 171 | 0 | 0 | 0 | 110.6 | ||||
| 361 | S | 31.4 | Very low | 35.1 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | trans | -81.8 | 172 | 177 | 53.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 362 | L | 36 | Very low | 35.2 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | 173.4 | 157 | 122.4 | -94.8 | 167 | 0 | 0 | 0 | 114.6 | |||||
| 363 | F | 35.8 | Very low | 35.3 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | 50.1 | 147.9 | 163.7 | -58.8 | -65.3 | 0 | 0 | 0 | 119.8 | ||||
| 364 | L | 31 | Very low | 35.8 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | cis | 147.1 | 160.5 | -18.7 | -107.6 | 162.5 | 0 | 0 | 0 | 107.6 | ||||
| 365 | S | 33.9 | Very low | 35.5 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | 83.2 | 140.9 | 172.8 | -39.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 366 | S | 37.3 | Very low | 35.3 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -158.6 | 146.9 | 0.5 | 47.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 367 | S | 38.6 | Very low | 35.1 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | 60.3 | 123.1 | 149.6 | -52.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 368 | S | 41 | Very low | 34.8 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | cis | 86 | 153.7 | 38.4 | -61.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 369 | P | 41.7 | Very low | 34.6 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | cis | -146 | -174.9 | -31.1 | 37.6 | -17.8 | 0 | 0 | 0 | 115.2 | ||||
| 370 | I | 35.6 | Very low | 34.4 | Very low | 161 Ų | 161 | 125.7 Ų | 125.7 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | trans | 58.8 | 148.7 | 165.2 | 13.3 | 178.6 | 0 | 0 | 0 | 117.1 | ||||
| 371 | S | 34.1 | Very low | 34.2 | Very low | 98 Ų | 98 | 126.2 Ų | 126.2 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | cis | -153.7 | 173.1 | 4.9 | -156.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 372 | S | 36.3 | Very low | 34.1 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | cis | -149.6 | -174.7 | 14.4 | -66.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 373 | V | 32.4 | Very low | 34 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -134.7 | 162.5 | 167.1 | -147.1 | 0 | 0 | 0 | 0 | 109.5 | T375 | V373-T375 HydrophobicContact CG1-CG2 4.16Š| ||
| 374 | P | 43.7 | Very low | 33.8 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | -133.1 | 153.4 | 115 | 38 | -30.8 | 0 | 0 | 0 | 114.1 | |||||
| 375 | T | 28.8 | Very low | 33.9 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | -102.6 | -170.1 | -179.3 | 46.7 | 0 | 0 | 0 | 0 | 111.9 | V373 | V373-T375 HydrophobicContact CG1-CG2 4.16Š| ||
| 376 | C | 28.1 | Very low | 33.7 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | 86.3 | 140.1 | 170.1 | -56.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 377 | E | 31.5 | Very low | 33.4 | Very low | 138 Ų | 138 | 125.4 Ų | 125.4 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | cis | -126.6 | 149.9 | -1.2 | -69.3 | -172.5 | 123.2 | 0 | 0 | 112.1 | K379 | E377-K379 WeakPolarHBondContact OE1-CE 3.3Å; E377-K379 IonicContact OE1-NZ 2.99Å; E377-K379 PolarHBondContact OE1-NZ 2.62Å; E377-K379 WeakPolarHBondContact OE2-CE 3.39Å; E377-K379 IonicContact OE2-NZ 3.7Å; E377-K379 PolarHBondContact OE2-NZ 2.92Å | ||
| 378 | V | 27.9 | Very low | 33.1 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | trans | -109.8 | 123.9 | 155.3 | 175.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 379 | K | 34.8 | Very low | 32.7 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 68% | 0.683 | 77% | 0.77 | S | S | * | * | trans | -117.1 | 113 | 173.7 | -87.3 | 174.9 | 176.7 | 146.5 | 0 | 110.7 | E377 | E377-K379 WeakPolarHBondContact OE1-CE 3.3Å; E377-K379 IonicContact OE1-NZ 2.99Å; E377-K379 PolarHBondContact OE1-NZ 2.62Å; E377-K379 WeakPolarHBondContact OE2-CE 3.39Å; E377-K379 IonicContact OE2-NZ 3.7Å; E377-K379 PolarHBondContact OE2-NZ 2.92Å | ||
| 380 | T | 27.5 | Very low | 32.3 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -69.8 | 128.7 | 179.1 | -36.5 | 0 | 0 | 0 | 0 | 110.8 | T382 | T380-T382 HydrophobicContact CG2-CG2 3.99Š| ||
| 381 | L | 31.9 | Very low | 32.3 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -126.8 | 124.4 | 153.9 | -81.9 | 177.5 | 0 | 0 | 0 | 109.2 | ||||
| 382 | T | 29.3 | Very low | 32.4 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -100.1 | 121 | -174.9 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | T380 | T380-T382 HydrophobicContact CG2-CG2 3.99Š| ||
| 383 | S | 33.3 | Very low | 32.4 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -152.1 | 120.6 | 159.1 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 384 | S | 30.9 | Very low | 32.3 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -61.7 | 145.5 | 179.7 | -42.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 385 | S | 32.5 | Very low | 31.9 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | -178.6 | 158.6 | 115.8 | -79.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 386 | S | 30.7 | Very low | 32.2 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -52.5 | 142.2 | -172.7 | -52.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 387 | I | 30.2 | Very low | 32.3 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | 35.6 | 111.4 | 124.5 | -50.8 | 166.9 | 0 | 0 | 0 | 116.4 | |||||
| 388 | H | 33.5 | Very low | 32.4 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | -163.3 | 137.3 | 115.3 | -105.4 | -78 | 0 | 0 | 0 | 110.4 | |||||
| 389 | H | 31.3 | Very low | 32.8 | Very low | 172 Ų | 172 | 141.9 Ų | 141.9 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -72.3 | 134.2 | 167.6 | -106.3 | -80.1 | 0 | 0 | 0 | 109 | ||||
| 390 | V | 33.8 | Very low | 32.6 | Very low | 105 Ų | 105 | 139.5 Ų | 139.5 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | -131.6 | 109.5 | 171.8 | -167.7 | 0 | 0 | 0 | 0 | 109 | T392 | V390-T392 HydrophobicContact CG1-CG2 3.72Å; V390-T392 PolarHBondContact O-N 2.93Å | ||
| 391 | N | 35 | Very low | 33.1 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -82.7 | 105.2 | 161.1 | -81.6 | 6.2 | 0 | 0 | 0 | 107.2 | S393 | N391-S393 PolarHBondContact O-N 3.21Š| ||
| 392 | T | 37.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -83.7 | 96.7 | 179 | 50 | 0 | 0 | 0 | 0 | 111.1 | V390 | V390-T392 HydrophobicContact CG1-CG2 3.72Å; V390-T392 PolarHBondContact O-N 2.93Å | ||
| 393 | S | 35.5 | Very low | 33.3 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -92.4 | 137.1 | 145.4 | -171 | 0 | 0 | 0 | 0 | 107.7 | N391 | N391-S393 PolarHBondContact O-N 3.21Š| ||
| 394 | L | 29.7 | Very low | 33.3 | Very low | 156 Ų | 156 | 143 Ų | 143 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -124.2 | 108.6 | -163.9 | -166.3 | 175.1 | 0 | 0 | 0 | 110.3 | ||||
| 395 | T | 36 | Very low | 33.5 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -142.7 | 140.7 | 167.1 | -12.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 396 | E | 35 | Very low | 33.4 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 59.2 | 88.8 | 164.3 | -49.4 | -158.4 | 162.7 | 0 | 0 | 118.6 | ||||
| 397 | M | 29.8 | Very low | 33.7 | Very low | 186 Ų | 186 | 150 Ų | 150 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -126 | 107.5 | 138.5 | -167.6 | 179.1 | -63.1 | 0 | 0 | 109.5 | ||||
| 398 | I | 35 | Very low | 34.1 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | -81.8 | 115.3 | 177.9 | -62 | 169.4 | 0 | 0 | 0 | 109.4 | ||||
| 399 | Q | 35.9 | Very low | 34.2 | Very low | 175 Ų | 175 | 151.3 Ų | 151.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -161.8 | 106.3 | 146.8 | -115.5 | 149.4 | 87.1 | 0 | 0 | 114.2 | ||||
| 400 | S | 30 | Very low | 34.6 | Very low | 106 Ų | 106 | 151.9 Ų | 151.9 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | 14.7 | 114.5 | 143.1 | 56.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 401 | T | 37.2 | Very low | 34.7 | Very low | 130 Ų | 130 | 154 Ų | 154 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -147.7 | 125.1 | 135.7 | 19.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 402 | N | 31.8 | Very low | 34.8 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 138.8 | 161.4 | -90.5 | -41.2 | 0 | 0 | 0 | 108.7 | ||||
| 403 | F | 34.7 | Very low | 34.7 | Very low | 199 Ų | 199 | 156.6 Ų | 156.6 | 87% | 0.873 | 79% | 0.793 | S | S | * | * | trans | -141.2 | 78.7 | 165 | -123.4 | -77.1 | 0 | 0 | 0 | 111.8 | ||||
| 404 | T | 33.8 | Very low | 34.6 | Very low | 123 Ų | 123 | 160 Ų | 160 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -82.3 | 116.8 | 159.6 | 49.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 405 | E | 34 | Very low | 34.9 | Very low | 166 Ų | 166 | 156.7 Ų | 156.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -174.2 | 125.1 | 132.7 | -105.2 | -165.8 | 151.1 | 0 | 0 | 114.9 | ||||
| 406 | L | 30.7 | Very low | 34.9 | Very low | 143 Ų | 143 | 157.4 Ų | 157.4 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | 36.9 | 109.3 | 132.7 | -60.2 | 173.5 | 0 | 0 | 0 | 121 | ||||
| 407 | K | 37.2 | Very low | 35 | Very low | 186 Ų | 186 | 156.6 Ų | 156.6 | 81% | 0.809 | 78% | 0.78 | S | S | * | * | trans | -178.3 | 142.1 | 131.5 | -97.9 | 154 | -178.9 | 175.4 | 0 | 109.2 | ||||
| 408 | H | 39.2 | Very low | 35.2 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | cis | -146.8 | 170.9 | -5.9 | -117.8 | -23.8 | 0 | 0 | 0 | 109.3 | ||||
| 409 | H | 35.1 | Very low | 35.2 | Very low | 178 Ų | 178 | 156.9 Ų | 156.9 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -70 | 139.3 | 174.8 | -72.2 | 0.6 | 0 | 0 | 0 | 112.7 | ||||
| 410 | H | 39.8 | Very low | 35 | Very low | 183 Ų | 183 | 157.8 Ų | 157.8 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | -136 | 142.4 | 123.4 | -121.8 | 63.6 | 0 | 0 | 0 | 111 | |||||
| 411 | H | 34.8 | Very low | 35 | Very low | 150 Ų | 150 | 161.8 Ų | 161.8 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -125.5 | 121.2 | -173.8 | -156.7 | 73.1 | 0 | 0 | 0 | 106.3 | ||||
| 412 | H | 37.4 | Very low | 34.5 | Very low | 194 Ų | 194 | 166.2 Ų | 166.2 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | -138.9 | 140.2 | 164.6 | -122.9 | -85.4 | 0 | 0 | 0 | 109.8 | ||||
| 413 | H | 35.3 | Very low | 34.4 | Very low | 142 Ų | 142 | 168.5 Ų | 168.5 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -138.2 | 107.5 | -151.8 | -172.5 | -55.5 | 0 | 0 | 0 | 108.4 | ||||
| 414 | E | 35.2 | Very low | 34.3 | Very low | 188 Ų | 188 | 163.4 Ų | 163.4 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -144 | 115.4 | 169.9 | -163 | 173.6 | 155.9 | 0 | 0 | 111.4 | ||||
| 415 | P | 35.7 | Very low | 34 | Very low | 87 Ų | 87 | 166 Ų | 166 | 57% | 0.565 | 78% | 0.775 | S | S | * | * | trans | -107.2 | 136.9 | 170 | 35.2 | -26.1 | 0 | 0 | 0 | 111.1 | ||||
| 416 | N | 35.6 | Very low | 33.6 | Very low | 136 Ų | 136 | 163.3 Ų | 163.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -165.3 | 121.2 | 142.9 | -100.2 | -42.3 | 0 | 0 | 0 | 115.3 | ||||
| 417 | Q | 37.3 | Very low | 33.7 | Very low | 151 Ų | 151 | 161.6 Ų | 161.6 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | 50.9 | 111.3 | 131.7 | -65.2 | -179 | 66.1 | 0 | 0 | 121.8 | ||||
| 418 | Q | 33.9 | Very low | 33.4 | Very low | 171 Ų | 171 | 161.4 Ų | 161.4 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | 49.9 | 110.4 | 125.3 | -61.1 | -177.8 | -6.5 | 0 | 0 | 119.4 | |||||
| 419 | Q | 35 | Very low | 33.2 | Very low | 161 Ų | 161 | 158.3 Ų | 158.3 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | -149.3 | 103.9 | 125.5 | -124.8 | 170 | 107.3 | 0 | 0 | 113.1 | |||||
| 420 | Q | 30.7 | Very low | 33.1 | Very low | 195 Ų | 195 | 156.7 Ų | 156.7 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | trans | -76.1 | 125.1 | 156.2 | -71.9 | 179.8 | -18.1 | 0 | 0 | 108.4 | ||||
| 421 | R | 31.6 | Very low | 32.9 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -137.7 | 132.9 | 158.9 | -75.8 | -164.7 | -176.6 | -128 | -0.2 | 110.1 | ||||
| 422 | R | 25.4 | Very low | 32.6 | Very low | 224 Ų | 224 | 153.9 Ų | 153.9 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -119.5 | 108.3 | -179.5 | 171.7 | -148.5 | -63.9 | -167.7 | -3.1 | 107.5 | ||||
| 423 | W | 30 | Very low | 32.4 | Very low | 204 Ų | 204 | 149.6 Ų | 149.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -142.1 | 126.6 | 171.8 | -58.1 | 88 | 0 | 0 | 0 | 106.7 | ||||
| 424 | S | 33 | Very low | 32.2 | Very low | 93 Ų | 93 | 150.1 Ų | 150.1 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | cis | 80.1 | 136.7 | 43.6 | -56.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 425 | L | 26.5 | Very low | 32 | Very low | 178 Ų | 178 | 148.9 Ų | 148.9 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -64.7 | 169.1 | -178.3 | -64.7 | 106 | 0 | 0 | 0 | 112.9 | ||
| 426 | S | 26.5 | Very low | 31.8 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 81.6 | 144.8 | -175.1 | -150.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 427 | S | 33.6 | Very low | 31.7 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | cis | -143.3 | 162.5 | 25 | -60.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 428 | Q | 29.8 | Very low | 31.7 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -70.9 | -170.9 | 155.2 | -63.7 | 173.2 | -34.5 | 0 | 0 | 110.8 | ||||
| 429 | S | 35.9 | Very low | 31.9 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 71.4 | 142.5 | -177.8 | 73.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 430 | D | 31.8 | Very low | 31.8 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | cis | -159.2 | 147.3 | -16.2 | -100.2 | -25.2 | 0 | 0 | 0 | 108.6 | ||||
| 431 | V | 36.1 | Very low | 31.8 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -173.1 | 125.8 | 133.2 | -95.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 432 | S | 29.2 | Very low | 32.1 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -107.8 | 138.3 | 172.3 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 433 | S | 31.7 | Very low | 32.4 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -162.5 | 133.2 | 157.7 | 62.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 434 | L | 31.6 | Very low | 32.4 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 80% | 0.801 | 78% | 0.784 | S | S | * | * | trans | 62.5 | 101.7 | 157.5 | -57.2 | 164.2 | 0 | 0 | 0 | 115.7 | ||||
| 435 | L | 31.3 | Very low | 32.5 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | cis | 67.4 | 113.1 | 44.2 | -51.2 | 170.2 | 0 | 0 | 0 | 115.1 | ||||
| 436 | A | 32.1 | Very low | 32.8 | Very low | 95 Ų | 95 | 133 Ų | 133 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 154.9 | 151.4 | 110.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 437 | S | 33.1 | Very low | 33.4 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | 62.1 | 128.3 | 172.3 | -62.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 438 | E | 38 | Very low | 33.2 | Very low | 160 Ų | 160 | 140.5 Ų | 140.5 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | cis | 82.7 | 139.7 | 44.5 | -62.3 | 153.6 | 154.4 | 0 | 0 | 112 | ||||
| 439 | E | 36.4 | Very low | 33.5 | Very low | 181 Ų | 181 | 139.4 Ų | 139.4 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | cis | -161.6 | 160.5 | 3.1 | -128.7 | 178.8 | -179.6 | 0 | 0 | 112.8 | ||||
| 440 | G | 33.9 | Very low | 33.3 | Very low | 70 Ų | 70 | 139 Ų | 139 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 84.1 | 162.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 441 | M | 31.4 | Very low | 33.5 | Very low | 163 Ų | 163 | 139.2 Ų | 139.2 | 80% | 0.803 | 78% | 0.777 | S | S | * | * | cis | -161.5 | 144.8 | -6.5 | -108.3 | -74.2 | -83.5 | 0 | 0 | 111.1 | ||||
| 442 | T | 37.8 | Very low | 33.6 | Very low | 107 Ų | 107 | 136 Ų | 136 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | trans | 47.1 | 118.2 | 161.1 | 50.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 443 | L | 30.1 | Very low | 33.9 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 73% | 0.728 | 76% | 0.763 | S | S | * | * | 72.3 | 114.4 | 58.8 | -173.2 | 76.2 | 0 | 0 | 0 | 114.9 | E445 | L443-E445 HydrophobicContact CD1-CG 4.5Š| |||
| 444 | F | 31.8 | Very low | 33.9 | Very low | 215 Ų | 215 | 139.6 Ų | 139.6 | 94% | 0.943 | 76% | 0.761 | S | S | * | * | trans | -147.5 | 116.7 | 142.9 | -133.6 | -92.8 | 0 | 0 | 0 | 112.3 | ||||
| 445 | E | 35 | Very low | 34.1 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | trans | -74.2 | 178.1 | 166.9 | -87.1 | -160.4 | 101.2 | 0 | 0 | 111.9 | L443 | L443-E445 HydrophobicContact CD1-CG 4.5Š| ||
| 446 | S | 32.7 | Very low | 34.3 | Very low | 85 Ų | 85 | 140.2 Ų | 140.2 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | cis | -172.9 | 166.7 | -29.3 | 63.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 447 | K | 37.6 | Very low | 34.4 | Very low | 209 Ų | 209 | 141.1 Ų | 141.1 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -171.4 | 105.5 | 148.1 | -109.4 | 157.8 | -171.2 | 173.9 | 0 | 112.6 | ||||
| 448 | L | 30.7 | Very low | 34.7 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -76.1 | 151.5 | 161 | -75.3 | 157 | 0 | 0 | 0 | 109.9 | ||||
| 449 | N | 34.8 | Very low | 34.6 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | -137.7 | 131.7 | 146.8 | -168.7 | 27.2 | 0 | 0 | 0 | 109.5 | ||||
| 450 | T | 33.5 | Very low | 34.5 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 59% | 0.589 | 76% | 0.759 | S | S | * | * | trans | -112 | 150.2 | -177.8 | 51.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 451 | N | 34.4 | Very low | 34.3 | Very low | 148 Ų | 148 | 149.4 Ų | 149.4 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | 164.3 | 142.2 | 128.6 | -90.2 | -56.7 | 0 | 0 | 0 | 112.9 | |||||
| 452 | A | 38 | Very low | 34.4 | Very low | 84 Ų | 84 | 146 Ų | 146 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | trans | 54.6 | 142.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 453 | Q | 36.2 | Very low | 34.2 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | cis | -155.3 | 172.6 | -8 | -122.1 | -166.3 | 68 | 0 | 0 | 110.1 | ||||
| 454 | L | 32.5 | Very low | 34.3 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -21.7 | 147.6 | 172.6 | -74.6 | 72.6 | 0 | 0 | 0 | 116.2 | ||||
| 455 | K | 35 | Very low | 34.4 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | -167.2 | 123.1 | 65.5 | -154.6 | 140.7 | -179.1 | -178.2 | 0 | 117.4 | |||||
| 456 | H | 35 | Very low | 34.5 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | 71.1 | 149.9 | 159.6 | -57.2 | -40 | 0 | 0 | 0 | 121.1 | ||||
| 457 | P | 35.2 | Very low | 34.7 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | trans | -130.3 | 172.7 | -160.6 | 41.6 | -23.2 | 0 | 0 | 0 | 116.8 | ||||
| 458 | I | 38.5 | Very low | 34.6 | Very low | 156 Ų | 156 | 143 Ų | 143 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -79.9 | 147.2 | 163.1 | -56.2 | 162.5 | 0 | 0 | 0 | 109.7 | ||||
| 459 | P | 36.5 | Very low | 34.9 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | -128.1 | 125.4 | 155.5 | 33.5 | -19.3 | 0 | 0 | 0 | 113.7 | ||||
| 460 | L | 33.5 | Very low | 35 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | -98.6 | 147.6 | 162.7 | -79 | 171.1 | 0 | 0 | 0 | 110.5 | ||||
| 461 | R | 31 | Very low | 35.3 | Very low | 241 Ų | 241 | 139.5 Ų | 139.5 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | 67.4 | 81.8 | 145.8 | -158.9 | 177.5 | -170.4 | 120.8 | -2.7 | 120.1 | ||||
| 462 | A | 32.7 | Very low | 35.4 | Very low | 90 Ų | 90 | 140.7 Ų | 140.7 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | 64.9 | 145.7 | 118.9 | 0 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 463 | K | 32.8 | Very low | 35.3 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 70% | 0.704 | 79% | 0.787 | S | S | * | * | trans | 108 | 130.8 | 148.5 | -74.2 | -176.4 | 175.2 | 174.3 | 0 | 121.2 | ||||
| 464 | T | 33 | Very low | 35.5 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | 84.5 | 153 | 148.1 | 36.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 465 | L | 34 | Very low | 35.7 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | -103.2 | 169.4 | -158.4 | -144.2 | 82.9 | 0 | 0 | 0 | 112.4 | ||||
| 466 | P | 37.5 | Very low | 35.7 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | -143.1 | -164.2 | 111.4 | 37.9 | -22.2 | 0 | 0 | 0 | 115.6 | |||||
| 467 | T | 36.1 | Very low | 35.7 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | -108.7 | 167 | -145.1 | 33.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 468 | N | 34.8 | Very low | 35.7 | Very low | 151 Ų | 151 | 143.5 Ų | 143.5 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | 78.1 | 120.2 | 150.6 | -63.2 | -14.9 | 0 | 0 | 0 | 122.2 | ||||
| 469 | A | 36.9 | Very low | 35.6 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | 178.9 | 146.1 | 117.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 470 | V | 37.5 | Very low | 35.6 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -64.9 | -176.4 | 176.4 | -104 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 471 | P | 40.1 | Very low | 35.7 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | cis | -139.4 | 172.3 | -4.5 | 24.3 | 1.7 | 0 | 0 | 0 | 119.2 | ||||
| 472 | E | 35.9 | Very low | 36 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 42 | 136.1 | 141.3 | -64.2 | -179.1 | 116.4 | 0 | 0 | 126 | ||||
| 473 | M | 36.9 | Very low | 35.8 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | -162.3 | 151.4 | 104.2 | -126.4 | 179.1 | 69.1 | 0 | 0 | 115.7 | |||||
| 474 | V | 39.5 | Very low | 35.9 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | trans | -84.2 | 147.4 | -156.5 | -172 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 475 | N | 37.9 | Very low | 35.9 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 153.6 | 157 | 130.3 | -84.4 | -54.8 | 0 | 0 | 0 | 114.2 | ||||
| 476 | S | 34.4 | Very low | 35.9 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | cis | -171.9 | 168.8 | -40.9 | -162.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 477 | M | 35 | Very low | 35.7 | Very low | 173 Ų | 173 | 139.4 Ų | 139.4 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | 70.9 | 109.6 | 175.5 | -58.3 | -179.6 | 175.3 | 0 | 0 | 116.4 | ||||
| 478 | M | 35.3 | Very low | 35.6 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | 82.8 | 107.6 | 69 | -79.4 | -172.5 | 169.4 | 0 | 0 | 113.8 | |||||
| 479 | S | 36.6 | Very low | 35.8 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | 94.5 | 143.9 | 85.8 | -68.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 480 | T | 37.1 | Very low | 35.9 | Very low | 123 Ų | 123 | 142 Ų | 142 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | cis | -157.7 | 148.8 | 4.6 | -0.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 481 | T | 35.3 | Very low | 35.8 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | 3.7 | 139.2 | 151.2 | 55.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 482 | Q | 36.2 | Very low | 35.4 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | -167.8 | 143 | 107.9 | -107.7 | 176.9 | -7.3 | 0 | 0 | 113.5 | |||||
| 483 | D | 29.6 | Very low | 35.4 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -93.6 | 158.5 | 179.1 | -51.7 | -90.8 | 0 | 0 | 0 | 113.1 | ||||
| 484 | Y | 34 | Very low | 35.3 | Very low | 239 Ų | 239 | 138.9 Ų | 138.9 | 94% | 0.937 | 74% | 0.735 | S | S | * | * | trans | -155.9 | 154.2 | 144 | -114.2 | -76.8 | 0 | 0 | 0 | 111 | ||||
| 485 | S | 32.7 | Very low | 34.9 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | -116.5 | 166.5 | -171.7 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 486 | T | 34.8 | Very low | 34.8 | Very low | 132 Ų | 132 | 142.9 Ų | 142.9 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | 152.7 | 140.5 | 126.5 | -63 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 487 | V | 32.5 | Very low | 34.8 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | -56.5 | 150.7 | 176.4 | 176.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 488 | D | 34.8 | Very low | 34.5 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | trans | -162.1 | 133.1 | 140.3 | -102.1 | -25.5 | 0 | 0 | 0 | 109.7 | ||||
| 489 | H | 39.6 | Very low | 34.4 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 65% | 0.653 | 75% | 0.748 | S | S | * | * | 62.9 | 136.2 | 92.7 | -70.4 | 34 | 0 | 0 | 0 | 114 | |||||
| 490 | H | 38.1 | Very low | 33.9 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 68% | 0.676 | 75% | 0.75 | S | S | * | * | cis | -163.8 | 171.1 | 5.8 | -122.9 | -55.6 | 0 | 0 | 0 | 111 | ||||
| 491 | Q | 36.2 | Very low | 34 | Very low | 134 Ų | 134 | 147 Ų | 147 | 63% | 0.626 | 74% | 0.744 | S | S | * | * | trans | 67.5 | 125.7 | 150.4 | -105.7 | 43.3 | 8.6 | 0 | 0 | 122.8 | ||||
| 492 | N | 31.2 | Very low | 33.6 | Very low | 114 Ų | 114 | 150 Ų | 150 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | 48.3 | 150.2 | 116 | -64.4 | 46.4 | 0 | 0 | 0 | 121.2 | |||||
| 493 | D | 35.8 | Very low | 33.3 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | cis | -159.6 | 167.1 | 7.5 | -121.4 | -33.1 | 0 | 0 | 0 | 112.9 | ||||
| 494 | F | 34.4 | Very low | 33.4 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | 43.1 | 112.8 | 159.3 | -82.1 | -97.1 | 0 | 0 | 0 | 122.7 | ||||
| 495 | L | 31.2 | Very low | 33.2 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | 18.4 | 124.8 | 129.8 | -66.1 | 168.5 | 0 | 0 | 0 | 119.6 | |||||
| 496 | H | 35.6 | Very low | 33.4 | Very low | 192 Ų | 192 | 145.2 Ų | 145.2 | 89% | 0.889 | 73% | 0.732 | S | S | * | * | -165.6 | 160.4 | 119.5 | -123.1 | -96.3 | 0 | 0 | 0 | 114.3 | |||||
| 497 | A | 35.5 | Very low | 33.2 | Very low | 88 Ų | 88 | 144.8 Ų | 144.8 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | 61.8 | 114.3 | 161 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 498 | Y | 28.4 | Very low | 33.2 | Very low | 213 Ų | 213 | 145.7 Ų | 145.7 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | trans | -63.3 | 139.4 | 153.7 | -85 | -117.6 | 0 | 0 | 0 | 110.6 | ||||
| 499 | Q | 32.5 | Very low | 33.2 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | trans | -152.9 | 106.8 | 154 | -163.1 | 64.9 | 64.4 | 0 | 0 | 112.3 | ||||
| 500 | F | 27.5 | Very low | 32.6 | Very low | 173 Ų | 173 | 150.2 Ų | 150.2 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -97.5 | 176.3 | 158.8 | -87.2 | -76.2 | 0 | 0 | 0 | 108.6 | ||||
| 501 | P | 38.2 | Very low | 32.3 | Very low | 97 Ų | 97 | 148.2 Ų | 148.2 | 63% | 0.63 | 74% | 0.738 | S | S | * | * | cis | -134 | -168.2 | -10 | 17.5 | 9.9 | 0 | 0 | 0 | 114.1 | ||||
| 502 | F | 27.9 | Very low | 32 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | 89 | 139.8 | 151.7 | -77.2 | -69.7 | 0 | 0 | 0 | 122.6 | ||||
| 503 | N | 29.5 | Very low | 31.9 | Very low | 147 Ų | 147 | 146.6 Ų | 146.6 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | 69.6 | 146.4 | 161.9 | -60.6 | -8.7 | 0 | 0 | 0 | 116.9 | ||||
| 504 | S | 31.8 | Very low | 31.7 | Very low | 96 Ų | 96 | 147.5 Ų | 147.5 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -153.6 | 163.9 | 1.9 | -145.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 505 | Y | 29.4 | Very low | 31.7 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | 6.3 | 122 | 150.7 | -84.2 | -100.3 | 0 | 0 | 0 | 119.4 | ||||
| 506 | N | 36.1 | Very low | 31.7 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 173.7 | 114 | 99.1 | -89.2 | -46.1 | 0 | 0 | 0 | 113.5 | |||||
| 507 | D | 30.8 | Very low | 32 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 66% | 0.658 | 75% | 0.748 | S | S | * | * | 42.5 | 125.4 | 111 | -90.9 | 42.5 | 0 | 0 | 0 | 122.6 | |||||
| 508 | N | 32.6 | Very low | 31.8 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 90.8 | 129.6 | 139.2 | -71.7 | -54.7 | 0 | 0 | 0 | 122 | ||||
| 509 | K | 35.2 | Very low | 32.1 | Very low | 189 Ų | 189 | 142 Ų | 142 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | 74.3 | 148.1 | 158.9 | -68.3 | 174.7 | -178.6 | 175.7 | 0 | 118.5 | ||||
| 510 | F | 27.7 | Very low | 32.1 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.803 | 74% | 0.735 | S | S | * | * | cis | -176.1 | 167.1 | -30.9 | -134.9 | -90.5 | 0 | 0 | 0 | 105.8 | ||||
| 511 | C | 30.7 | Very low | 32.4 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 70% | 0.703 | 74% | 0.736 | S | S | * | * | trans | 74 | 118.7 | 174.6 | -54.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 512 | T | 29.8 | Very low | 32.6 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | 71 | 89.2 | 55.7 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 513 | A | 29.4 | Very low | 33.2 | Very low | 92 Ų | 92 | 135 Ų | 135 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | 99.8 | 178.7 | 60.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 514 | I | 32.5 | Very low | 33.3 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 89.9 | 91.2 | 171.2 | -50.3 | 176.9 | 0 | 0 | 0 | 117.2 | ||||
| 515 | N | 32.9 | Very low | 33.6 | Very low | 138 Ų | 138 | 142 Ų | 142 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | 51.2 | 117.8 | 125.1 | -49.6 | -19.4 | 0 | 0 | 0 | 122.9 | |||||
| 516 | N | 31.6 | Very low | 34.1 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | 32.6 | 159.8 | 96.8 | -80.5 | -3.6 | 0 | 0 | 0 | 120.8 | |||||
| 517 | P | 41.9 | Very low | 34.4 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -145.4 | -159.2 | -26.9 | 37.5 | -15.6 | 0 | 0 | 0 | 113.8 | ||||
| 518 | M | 31.9 | Very low | 35.7 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | 129 | 138.5 | 138.1 | -66.4 | -151.4 | 103.8 | 0 | 0 | 120.6 | ||||
| 519 | I | 35.1 | Very low | 36.1 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 64 | 129.8 | 141.6 | -73.8 | 168.2 | 0 | 0 | 0 | 120.1 | ||||
| 520 | E | 31.1 | Very low | 36.1 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | cis | -135.5 | -116.2 | -23.3 | -165.9 | -157.8 | 114.4 | 0 | 0 | 110.5 | T522 | E520-T522 PolarHBondContact OE1-N 3.02Å; E520-T522 PolarHBondContact OE1-OG1 3.38Å | ||
| 521 | S | 34.9 | Very low | 36.5 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | cis | -145.6 | 134.5 | 2.3 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 522 | T | 41.2 | Very low | 36.7 | Very low | 110 Ų | 110 | 136 Ų | 136 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | -98.9 | 160 | -178 | -23.5 | 0 | 0 | 0 | 0 | 112.6 | E520 | E520-T522 PolarHBondContact OE1-N 3.02Å; E520-T522 PolarHBondContact OE1-OG1 3.38Å | ||
| 523 | P | 40.6 | Very low | 37.2 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | -154.5 | 148.7 | 92.2 | 38.8 | -19.5 | 0 | 0 | 0 | 118.7 | |||||
| 524 | R | 32.2 | Very low | 37.6 | Very low | 214 Ų | 214 | 138.2 Ų | 138.2 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | 39.1 | 129.3 | 144.7 | -75.8 | -177.8 | 161.3 | -166 | -5.8 | 122.5 | ||||
| 525 | L | 39.4 | Very low | 37.9 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 93% | 0.927 | 76% | 0.76 | S | S | * | * | -151.2 | 164.6 | 113.6 | -106.5 | 166.3 | 0 | 0 | 0 | 110.3 | |||||
| 526 | Q | 39.5 | Very low | 38.4 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -111.2 | 152 | -166.2 | -70.6 | 174.6 | -104 | 0 | 0 | 114.7 | ||||
| 527 | P | 42.6 | Very low | 38.7 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -101.4 | 156.6 | 170.7 | 38.5 | -33.4 | 0 | 0 | 0 | 114.2 | ||||
| 528 | P | 58.1 | Low | 38.4 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -102 | 167.5 | 163.6 | 37.6 | -30.7 | 0 | 0 | 0 | 113.1 | ||||
| 529 | P | 40.9 | Very low | 38.7 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | trans | -110.4 | 160 | -158.3 | 40.4 | -35 | 0 | 0 | 0 | 117.7 | ||||
| 530 | I | 33.8 | Very low | 38.5 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 17.1 | 125.8 | 141.6 | -46.7 | 169.5 | 0 | 0 | 0 | 118.3 | I532 | I530-I532 HydrophobicContact CG2-CG1 4.42Š| ||
| 531 | T | 37.3 | Very low | 38.9 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -149.6 | 151.2 | 140.8 | -72.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 532 | I | 34.9 | Very low | 39 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 67% | 0.667 | 79% | 0.786 | S | S | * | * | trans | -111.9 | 143.6 | -169.7 | -52.7 | 160 | 0 | 0 | 0 | 108.7 | I530 | I530-I532 HydrophobicContact CG2-CG1 4.42Š| ||
| 533 | H | 38.8 | Very low | 39.1 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 78% | 0.782 | 80% | 0.796 | S | S | * | * | 167.1 | 147.1 | 128 | -101.9 | -83.6 | 0 | 0 | 0 | 117.4 | |||||
| 534 | S | 38.6 | Very low | 39 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | trans | 70.3 | 95.1 | 142.6 | -60 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 535 | S | 39.3 | Very low | 39.5 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | 61.8 | 143.2 | 117.2 | -52.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 536 | P | 43.6 | Very low | 39.4 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -99.6 | 172.4 | -177.9 | 41 | -37.5 | 0 | 0 | 0 | 114.5 | ||||
| 537 | I | 38.2 | Very low | 39.5 | Very low | 171 Ų | 171 | 140.6 Ų | 140.6 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -155 | 154.7 | 153.2 | -105.3 | 151.3 | 0 | 0 | 0 | 110.6 | ||||
| 538 | L | 34.1 | Very low | 39.4 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | -71.9 | 160.3 | -174.7 | -62.2 | 133.4 | 0 | 0 | 0 | 114.2 | ||||
| 539 | F | 37.9 | Very low | 38.4 | Very low | 208 Ų | 208 | 140.1 Ų | 140.1 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | trans | -152.6 | 146.3 | 132.9 | -125.9 | -82.6 | 0 | 0 | 0 | 113.2 | ||||
| 540 | N | 31.8 | Very low | 38.5 | Very low | 142 Ų | 142 | 140 Ų | 140 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -81.2 | 157.2 | 176.7 | -71.5 | -12.1 | 0 | 0 | 0 | 112.1 | ||||
| 541 | S | 38.7 | Very low | 38.7 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | -162.2 | 170.2 | 110 | -151.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 542 | Q | 38.1 | Very low | 38.7 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | trans | -92.5 | 158.9 | -172.4 | -59.4 | 161.4 | -32.8 | 0 | 0 | 112.4 | ||||
| 543 | H | 42.8 | Very low | 39 | Very low | 193 Ų | 193 | 137 Ų | 137 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | -151.1 | 150.3 | 129.5 | -109.3 | -77.5 | 0 | 0 | 0 | 109.9 | |||||
| 544 | S | 38.5 | Very low | 39.2 | Very low | 91 Ų | 91 | 134.6 Ų | 134.6 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -87.4 | 159.9 | 179.2 | 55.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 545 | D | 42.8 | Very low | 39.4 | Very low | 154 Ų | 154 | 138 Ų | 138 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | -170.8 | 161.1 | 105.1 | -88 | -7.1 | 0 | 0 | 0 | 111.9 | |||||
| 546 | S | 36.6 | Very low | 39.4 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -93.1 | 148.8 | -167.2 | -56.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 547 | I | 42.3 | Very low | 39.6 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | -165.8 | 127.4 | 138.4 | -102.2 | 149.5 | 0 | 0 | 0 | 112.2 | ||||
| 548 | T | 40.3 | Very low | 40.6 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | 33.8 | 114.3 | 149.5 | -44.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 549 | S | 37.9 | Very low | 42 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -90.4 | -174.2 | 161.1 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 550 | P | 42.7 | Very low | 43.4 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -131.5 | 173.6 | -10.6 | 41.3 | -26.6 | 0 | 0 | 0 | 114.4 | ||||
| 551 | S | 38.1 | Very low | 45 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -179 | 133.9 | 135.8 | -83.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 552 | S | 37.2 | Very low | 46.4 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -101.1 | 118.6 | -179.7 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | V554 | S552-V554 PolarHBondContact O-N 2.87Å; S552-V554 VanDerWaalsContact O-N 3.08Å | ||
| 553 | S | 41.6 | Very low | 47.5 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -72.7 | 97 | 176.1 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | I555 | S553-I555 PolarHBondContact O-N 2.95Å; S553-I555 VanDerWaalsContact O-N 3.15Å | ||
| 554 | V | 42.7 | Very low | 48.3 | Very low | 120 Ų | 120 | 127 Ų | 127 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -72 | 104.3 | 174.6 | 179 | 0 | 0 | 0 | 0 | 109.8 | S552 Q556 | S552-V554 PolarHBondContact O-N 2.87Å; S552-V554 VanDerWaalsContact O-N 3.08Å; V554-Q556 HydrophobicContact CG1-CG 4.3Å; V554-Q556 PolarHBondContact O-N 3.32Å; V554-Q556 VanDerWaalsContact O-N 3.08Å | ||
| 555 | I | 41.9 | Very low | 48.9 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | trans | -73.5 | 99 | 170.1 | -60.4 | 178.4 | 0 | 0 | 0 | 108.2 | S553 K557 | S553-I555 PolarHBondContact O-N 2.95Å; S553-I555 VanDerWaalsContact O-N 3.15Å; I555-K557 PolarHBondContact O-N 3.21Å; I555-K557 VanDerWaalsContact O-N 3.16Å | ||
| 556 | Q | 39.3 | Very low | 48.8 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -68.6 | 108.8 | 175.8 | -69.2 | -177 | -14.4 | 0 | 0 | 110.3 | V554 A558 | V554-Q556 HydrophobicContact CG1-CG 4.3Å; V554-Q556 PolarHBondContact O-N 3.32Å; V554-Q556 VanDerWaalsContact O-N 3.08Å; Q556-A558 PolarHBondContact O-N 3.11Å | ||
| 557 | K | 47.3 | Very low | 49.1 | Very low | 202 Ų | 202 | 131.7 Ų | 131.7 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 120 | 171 | -167.5 | 173.9 | -175.9 | 178.3 | 0 | 108.7 | I555 | I555-K557 PolarHBondContact O-N 3.21Å; I555-K557 VanDerWaalsContact O-N 3.16Å |
| 558 | A | 60.4 | Low | 48.6 | Very low | 87 Ų | 87 | 131.4 Ų | 131.4 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 143.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q556 | Q556-A558 PolarHBondContact O-N 3.11Š|
| 559 | P | 63.8 | Low | 48.3 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 149 | 177.7 | 29.4 | -35 | 0 | 0 | 0 | 111.4 | ||
| 560 | P | 66.4 | Low | 48.2 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 151.9 | 175.1 | 29.5 | -35 | 0 | 0 | 0 | 111.5 | ||
| 561 | P | 65.8 | Low | 47.6 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 149.8 | 178.9 | 28.4 | -35.2 | 0 | 0 | 0 | 111.9 | ||
| 562 | P | 68.7 | Low | 47.4 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 146.1 | 178.7 | 28.7 | -35 | 0 | 0 | 0 | 111.6 | ||
| 563 | P | 61.5 | Low | 47.1 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 150.6 | 174.9 | 29 | -34.9 | 0 | 0 | 0 | 111.3 | ||
| 564 | P | 58.1 | Low | 46.5 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 151.8 | 179.4 | 27.7 | -35.2 | 0 | 0 | 0 | 111.9 | R566 | P564-R566 PolarHBondContact O-N 3.05Š|
| 565 | P | 52.1 | Low | 46.2 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 120.1 | -178.6 | 26.8 | -34.3 | 0 | 0 | 0 | 110.6 | A567 | P565-A567 PolarHBondContact O-N 3.29Š|
| 566 | R | 40.7 | Very low | 45.6 | Very low | 234 Ų | 234 | 139 Ų | 139 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 122.3 | 171.4 | -67.5 | -178.2 | 67.9 | 148.1 | 0.4 | 108.7 | P564 N568 | P564-R566 PolarHBondContact O-N 3.05Å; R566-N568 PolarHBondContact O-N 2.97Å |
| 567 | A | 41.5 | Very low | 45.2 | Very low | 95 Ų | 95 | 136 Ų | 136 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 134.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | P565 L569 | P565-A567 PolarHBondContact O-N 3.29Å; A567-L569 PolarHBondContact O-N 3.21Å |
| 568 | N | 32.8 | Very low | 44.5 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -75.2 | 85.9 | 178.7 | -74.2 | -29.2 | 0 | 0 | 0 | 110.5 | R566 L570 | R566-N568 PolarHBondContact O-N 2.97Å; N568-L570 PolarHBondContact O-N 2.91Å | ||
| 569 | L | 34.3 | Very low | 43.1 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 110 | 164.3 | -117.3 | 157.9 | 0 | 0 | 0 | 108.1 | A567 L571 | A567-L569 PolarHBondContact O-N 3.21Å; L569-L571 PolarHBondContact O-N 3.37Å | ||
| 570 | L | 35.4 | Very low | 41.7 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | trans | -63.7 | 120.9 | -174.3 | -73.6 | 169.1 | 0 | 0 | 0 | 111.1 | N568 V572 | N568-L570 PolarHBondContact O-N 2.91Å; L570-V572 PolarHBondContact O-N 3.14Å | ||
| 571 | L | 30.5 | Very low | 39.9 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -80.5 | 96.5 | 174.8 | -167.1 | 75.9 | 0 | 0 | 0 | 109.3 | L569 T573 | L569-L571 PolarHBondContact O-N 3.37Å; L571-T573 HydrophobicContact CD2-CG2 3.78Å; L571-T573 HydrophobicContact CG-CG2 3.97Å; L571-T573 PolarHBondContact O-N 3.05Å; L571-T573 VanDerWaalsContact O-N 3.12Å | ||
| 572 | V | 34.2 | Very low | 38.3 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -73.6 | 100.3 | 168.9 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | L570 | L570-V572 PolarHBondContact O-N 3.14Š| ||
| 573 | T | 30.2 | Very low | 36.7 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 54% | 0.54 | 79% | 0.787 | S | S | . | * | trans | -87.2 | 157.4 | 174.6 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | L571 | L571-T573 HydrophobicContact CD2-CG2 3.78Å; L571-T573 HydrophobicContact CG-CG2 3.97Å; L571-T573 PolarHBondContact O-N 3.05Å; L571-T573 VanDerWaalsContact O-N 3.12Å | ||
| 574 | N | 29.6 | Very low | 35.3 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 70.3 | 98.1 | 168.1 | -53.2 | 3.6 | 0 | 0 | 0 | 116.8 | ||||
| 575 | I | 36.4 | Very low | 34 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | -127.4 | 124.1 | 121.4 | -60.6 | -176.3 | 0 | 0 | 0 | 106.5 | |||||
| 576 | D | 29.3 | Very low | 33 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 68% | 0.679 | 79% | 0.792 | S | S | * | * | trans | -83.5 | 157 | 179 | -89 | -69.6 | 0 | 0 | 0 | 112.9 | V578 | D576-V578 PolarHBondContact O-N 3.48Š| ||
| 577 | S | 29.9 | Very low | 32.6 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -8.7 | 108.6 | 163.4 | -51.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 578 | V | 33.5 | Very low | 31.9 | Very low | 127 Ų | 127 | 141.2 Ų | 141.2 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -111.6 | 105.8 | 149.9 | -178 | 0 | 0 | 0 | 0 | 108 | D576 | D576-V578 PolarHBondContact O-N 3.48Š| ||
| 579 | H | 30.1 | Very low | 31.8 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -87.7 | 113 | 179.5 | 174 | 53.4 | 0 | 0 | 0 | 109 | D581 | H579-D581 IonicContact CE1-OD1 3.25Å; H579-D581 PolarHBondContact CE1-OD1 3.34Å; H579-D581 VanDerWaalsContact CE1-OD1 3.25Å; H579-D581 IonicContact CE1-OD2 3.24Å; H579-D581 PolarHBondContact CE1-OD2 2.97Å; H579-D581 VanDerWaalsContact CE1-OD2 3.24Å; H579-D581 IonicContact ND1-OD1 3.6Å; H579-D581 IonicContact NE2-OD2 3.72Å | ||
| 580 | N | 34.3 | Very low | 31.4 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -129.2 | 93 | 171.8 | -97.1 | -17.4 | 0 | 0 | 0 | 108.7 | ||||
| 581 | D | 29.8 | Very low | 31.2 | Very low | 129 Ų | 129 | 137 Ų | 137 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | trans | -72.5 | 165 | 166.9 | -76.9 | -12.5 | 0 | 0 | 0 | 111.2 | H579 | H579-D581 IonicContact CE1-OD1 3.25Å; H579-D581 PolarHBondContact CE1-OD1 3.34Å; H579-D581 VanDerWaalsContact CE1-OD1 3.25Å; H579-D581 IonicContact CE1-OD2 3.24Å; H579-D581 PolarHBondContact CE1-OD2 2.97Å; H579-D581 VanDerWaalsContact CE1-OD2 3.24Å; H579-D581 IonicContact ND1-OD1 3.6Å; H579-D581 IonicContact NE2-OD2 3.72Å | ||
| 582 | N | 32.2 | Very low | 31.1 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | trans | 78.8 | 66.9 | 155 | -161.9 | 35.6 | 0 | 0 | 0 | 119.7 | ||||
| 583 | M | 34.7 | Very low | 30.9 | Very low | 193 Ų | 193 | 138 Ų | 138 | 95% | 0.951 | 78% | 0.781 | S | S | * | * | trans | -152.2 | 150 | 135.8 | -80.1 | -61.2 | -178.4 | 0 | 0 | 106.2 | ||||
| 584 | G | 31.1 | Very low | 31.1 | Very low | 64 Ų | 64 | 142.7 Ų | 142.7 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | cis | 174.1 | 121.2 | 1.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 585 | Q | 30.7 | Very low | 31.2 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -48.4 | 159.9 | -168.8 | -60.5 | 165.1 | -4.9 | 0 | 0 | 117.7 | ||||
| 586 | K | 32 | Very low | 31.1 | Very low | 198 Ų | 198 | 144 Ų | 144 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | 77.4 | 152.1 | -179.6 | -58.1 | 176.1 | 175.4 | 174.9 | 0 | 113.7 | ||||
| 587 | C | 32.3 | Very low | 31.1 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | cis | -112.3 | 148 | 5.3 | -67.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 588 | G | 27 | Very low | 31.3 | Very low | 82 Ų | 82 | 147.3 Ų | 147.3 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -88.8 | 136.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 589 | V | 31.3 | Very low | 31.2 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -126.8 | 111.8 | 172.3 | 179.4 | 0 | 0 | 0 | 0 | 107.8 | L591 | V589-L591 PolarHBondContact O-N 3.25Š| ||
| 590 | S | 25.3 | Very low | 31.4 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -72.3 | 118 | 168.2 | -59.3 | 0 | 0 | 0 | 0 | 108.6 | T592 | S590-T592 PolarHBondContact O-N 3.02Š| ||
| 591 | L | 30.4 | Very low | 31.2 | Very low | 166 Ų | 166 | 143 Ų | 143 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -89.4 | 94.9 | 160.9 | -69.9 | 177.8 | 0 | 0 | 0 | 107.8 | V589 | V589-L591 PolarHBondContact O-N 3.25Š| ||
| 592 | T | 29.7 | Very low | 31.2 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -64.9 | 162.3 | 164.5 | 42.3 | 0 | 0 | 0 | 0 | 110.7 | S590 E594 | S590-T592 PolarHBondContact O-N 3.02Å; T592-E594 PolarHBondContact O-N 3.49Å | ||
| 593 | E | 29.7 | Very low | 31.1 | Very low | 195 Ų | 195 | 143.3 Ų | 143.3 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -58.9 | 121.5 | -176.8 | -58.8 | 163.1 | 122.4 | 0 | 0 | 112 | ||||
| 594 | E | 34.4 | Very low | 30.9 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -112.9 | 130.9 | 153.4 | -73.5 | -162.6 | 147 | 0 | 0 | 109.2 | T592 | T592-E594 PolarHBondContact O-N 3.49Š| ||
| 595 | K | 30.3 | Very low | 30.9 | Very low | 170 Ų | 170 | 143 Ų | 143 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | trans | -116.8 | 89.6 | -169.3 | 176 | -148.9 | 166.2 | -169.5 | 0 | 108.1 | ||||
| 596 | E | 35.8 | Very low | 31 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | trans | -113 | 109 | 179 | -81.1 | -67.1 | 126.3 | 0 | 0 | 110.9 | F598 | E596-F598 PolarHBondContact O-N 2.92Å; E596-F598 VanDerWaalsContact O-N 3.12Å | ||
| 597 | D | 28.8 | Very low | 30.9 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -77.9 | 84.1 | 177 | -74 | -69.4 | 0 | 0 | 0 | 110.5 | ||||
| 598 | F | 33.2 | Very low | 30.8 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 77% | 0.772 | 79% | 0.787 | S | S | * | * | trans | -134.7 | 123.3 | 173.7 | -125.9 | -90.2 | 0 | 0 | 0 | 114.5 | E596 | E596-F598 PolarHBondContact O-N 2.92Å; E596-F598 VanDerWaalsContact O-N 3.12Å | ||
| 599 | V | 31.3 | Very low | 31.1 | Very low | 138 Ų | 138 | 146.6 Ų | 146.6 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -114.6 | 104.3 | 174.5 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 600 | P | 35.6 | Very low | 31 | Very low | 98 Ų | 98 | 148.2 Ų | 148.2 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -76.2 | 133 | 169.4 | -13.1 | 29.7 | 0 | 0 | 0 | 110.7 | L602 | P600-L602 PolarHBondContact O-N 2.87Š| ||
| 601 | S | 29.3 | Very low | 31.5 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | -73.9 | 109.3 | 176.3 | -167.5 | 0 | 0 | 0 | 0 | 110.8 | T603 | S601-T603 PolarHBondContact O-N 3.39Å; S601-T603 PolarHBondContact OG-OG1 3.38Å | ||
| 602 | L | 29.8 | Very low | 31.4 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -76.6 | 68.1 | 174.1 | -70 | 174.7 | 0 | 0 | 0 | 111 | P600 | P600-L602 PolarHBondContact O-N 2.87Š| ||
| 603 | T | 30.5 | Very low | 31.4 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | trans | -141.1 | 45.4 | -174.7 | 57 | 0 | 0 | 0 | 0 | 112.8 | S601 | S601-T603 PolarHBondContact O-N 3.39Å; S601-T603 PolarHBondContact OG-OG1 3.38Å | ||
| 604 | A | 30.3 | Very low | 31.3 | Very low | 84 Ų | 84 | 148 Ų | 148 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -157.6 | 162.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F606 | A604-F606 PolarHBondContact O-N 3.04Š|
| 605 | E | 32 | Very low | 31.1 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 61 | 46.8 | 157.3 | -66 | 173.9 | 161.7 | 0 | 0 | 118 | N607 | E605-N607 PolarHBondContact O-N 3.29Š| ||
| 606 | F | 32 | Very low | 31 | Very low | 218 Ų | 218 | 144.9 Ų | 144.9 | 96% | 0.956 | 77% | 0.77 | S | S | * | * | trans | -67.1 | 82.3 | 136.3 | -93.1 | -86.6 | 0 | 0 | 0 | 108.8 | A604 | A604-F606 PolarHBondContact O-N 3.04Š| ||
| 607 | N | 30.4 | Very low | 30.7 | Very low | 132 Ų | 132 | 146 Ų | 146 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -121.1 | 134.2 | 173 | -89.2 | -33.5 | 0 | 0 | 0 | 110.9 | E605 E609 | E605-N607 PolarHBondContact O-N 3.29Å; N607-E609 PolarHBondContact O-N 2.97Å | ||
| 608 | S | 30.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | trans | -75 | 116.5 | -170.2 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 609 | E | 32.2 | Very low | 30.5 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -140.5 | 87.5 | 161.5 | -121.7 | 170.5 | -167.3 | 0 | 0 | 112.6 | N607 M611 | N607-E609 PolarHBondContact O-N 2.97Å; E609-M611 PolarHBondContact O-N 3.42Å | ||
| 610 | E | 29.2 | Very low | 30.3 | Very low | 152 Ų | 152 | 146 Ų | 146 | 71% | 0.71 | 77% | 0.767 | S | S | * | * | trans | 29 | 69.6 | 143 | -159 | 172.1 | 162 | 0 | 0 | 119.2 | K612 | E610-K612 HydrophobicContact CG-CB 3.75Å; E610-K612 PolarHBondContact O-N 3.47Å; E610-K612 VanDerWaalsContact OE1-CD 3.24Å; E610-K612 WeakPolarHBondContact OE1-CD 3.44Å; E610-K612 IonicContact OE1-NZ 3.96Å | ||
| 611 | M | 35.5 | Very low | 30.4 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | -75.3 | 67.2 | 154.3 | -84.1 | -161.5 | 170.2 | 0 | 0 | 111.5 | E609 L613 | E609-M611 PolarHBondContact O-N 3.42Å; M611-L613 PolarHBondContact O-N 2.86Å | ||
| 612 | K | 29.2 | Very low | 30.4 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 63% | 0.63 | 76% | 0.762 | S | S | * | * | trans | -72.6 | 92.6 | 167.8 | -179 | 180 | -179.3 | -179.8 | 0 | 109 | E610 T614 | E610-K612 HydrophobicContact CG-CB 3.75Å; E610-K612 PolarHBondContact O-N 3.47Å; E610-K612 VanDerWaalsContact OE1-CD 3.24Å; E610-K612 WeakPolarHBondContact OE1-CD 3.44Å; E610-K612 IonicContact OE1-NZ 3.96Å; K612-T614 VanDerWaalsContact C-N 3.31Å; K612-T614 HydrophobicContact CD-CG2 4.48Å; K612-T614 HydrophobicContact CG-CG2 4.19Å; K612-T614 PolarHBondContact O-N 3.03Å | ||
| 613 | L | 29.1 | Very low | 30.6 | Very low | 168 Ų | 168 | 145 Ų | 145 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | trans | -64.2 | 89.4 | 173 | -77.7 | 166.8 | 0 | 0 | 0 | 109.8 | M611 E615 | M611-L613 PolarHBondContact O-N 2.86Å; L613-E615 PolarHBondContact O-N 3.03Å | ||
| 614 | T | 27.9 | Very low | 30.6 | Very low | 96 Ų | 96 | 143.9 Ų | 143.9 | 59% | 0.589 | 76% | 0.759 | S | S | * | * | trans | -71.7 | 111.5 | 176.1 | 47.3 | 0 | 0 | 0 | 0 | 110 | K612 S616 | K612-T614 VanDerWaalsContact C-N 3.31Å; K612-T614 HydrophobicContact CD-CG2 4.48Å; K612-T614 HydrophobicContact CG-CG2 4.19Å; K612-T614 PolarHBondContact O-N 3.03Å; T614-S616 PolarHBondContact O-N 3.48Å | ||
| 615 | E | 30.7 | Very low | 30.9 | Very low | 204 Ų | 204 | 147.3 Ų | 147.3 | 95% | 0.953 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -66 | 61.7 | 177.1 | -168.5 | 179.9 | 171.3 | 0 | 0 | 112.1 | L613 | L613-E615 PolarHBondContact O-N 3.03Š|
| 616 | S | 28 | Very low | 30.9 | Very low | 87 Ų | 87 | 147.3 Ų | 147.3 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | trans | -159.5 | 44.6 | -170.5 | 68 | 0 | 0 | 0 | 0 | 115.5 | T614 | T614-S616 PolarHBondContact O-N 3.48Š| ||
| 617 | Q | 29.9 | Very low | 31.1 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -163 | 62.6 | 163.7 | -114.5 | 161 | 28.2 | 0 | 0 | 114 | P619 | Q617-P619 WeakPolarHBondContact O-CD 3.48Š| ||
| 618 | Q | 26.7 | Very low | 31.2 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | trans | -76 | 123.2 | 155.2 | -78.6 | -172.6 | -44.4 | 0 | 0 | 109 | Y620 | Q618-Y620 VanDerWaalsContact C-N 3.33Å; Q618-Y620 HydrophobicContact CB-CD2 4.01Å; Q618-Y620 HydrophobicContact CB-CE2 4.03Å; Q618-Y620 PolarHBondContact O-N 3.39Å | ||
| 619 | P | 30.2 | Very low | 31.4 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 74% | 0.74 | 75% | 0.753 | S | S | * | * | trans | -71.7 | 92.3 | 165.1 | 29.9 | -31.8 | 0 | 0 | 0 | 108.6 | Q617 I621 | Q617-P619 WeakPolarHBondContact O-CD 3.48Å; P619-I621 VanDerWaalsContact C-N 3.34Å; P619-I621 PolarHBondContact O-N 2.89Å | ||
| 620 | Y | 28.4 | Very low | 31.6 | Very low | 187 Ų | 187 | 142.1 Ų | 142.1 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | -63.8 | 94.5 | 168.5 | -89.5 | -101.3 | 0 | 0 | 0 | 109.1 | Q618 S622 | Q618-Y620 VanDerWaalsContact C-N 3.33Å; Q618-Y620 HydrophobicContact CB-CD2 4.01Å; Q618-Y620 HydrophobicContact CB-CE2 4.03Å; Q618-Y620 PolarHBondContact O-N 3.39Å; Y620-S622 PolarHBondContact O-N 2.94Å | ||
| 621 | I | 37.5 | Very low | 31.9 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | trans | -74.1 | 84.2 | 165.8 | -59.8 | 174.3 | 0 | 0 | 0 | 106.8 | P619 | P619-I621 VanDerWaalsContact C-N 3.34Å; P619-I621 PolarHBondContact O-N 2.89Å | ||
| 622 | S | 28.9 | Very low | 32 | Very low | 75 Ų | 75 | 139.9 Ų | 139.9 | 52% | 0.524 | 74% | 0.743 | S | S | . | * | trans | -59.4 | 125.4 | 177.2 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | Y620 S624 | Y620-S622 PolarHBondContact O-N 2.94Å; S622-S624 PolarHBondContact O-N 3.26Å | ||
| 623 | P | 33.4 | Very low | 32.9 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 94% | 0.935 | 74% | 0.744 | S | S | * | * | trans | -75.7 | 71.8 | 177 | 31.9 | -35.3 | 0 | 0 | 0 | 110.5 | ||||
| 624 | S | 30.4 | Very low | 34.1 | Very low | 89 Ų | 89 | 135 Ų | 135 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | trans | -102.6 | 143.6 | -179.3 | -66.2 | 0 | 0 | 0 | 0 | 110.9 | S622 | S622-S624 PolarHBondContact O-N 3.26Š| ||
| 625 | I | 36.2 | Very low | 35.2 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | trans | 71.8 | 64.7 | 173.8 | -42.1 | 166.2 | 0 | 0 | 0 | 114.7 | ||||
| 626 | I | 33.2 | Very low | 36.3 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 86% | 0.862 | 71% | 0.712 | S | S | * | * | trans | -94.5 | 101.3 | 131.6 | -62.9 | 175.2 | 0 | 0 | 0 | 106.3 | ||||
| 627 | N | 35.6 | Very low | 37.9 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | trans | -141.1 | 87.7 | 169.5 | -166.3 | 21 | 0 | 0 | 0 | 109.4 | N629 | N627-N629 PolarHBondContact O-N 3.43Š| ||
| 628 | N | 33.7 | Very low | 39.7 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | trans | -58.8 | 117.4 | 172.5 | -82 | -21 | 0 | 0 | 0 | 109.8 | ||||
| 629 | N | 33.2 | Very low | 41.9 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | trans | -172.6 | 149.6 | 141.4 | -93.8 | -41 | 0 | 0 | 0 | 111.2 | N627 | N627-N629 PolarHBondContact O-N 3.43Š| ||
| 630 | N | 36.4 | Very low | 44.3 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | trans | 72.7 | 95.2 | 168.1 | -49.3 | -35.5 | 0 | 0 | 0 | 118 | ||||
| 631 | N | 35.4 | Very low | 46.7 | Very low | 145 Ų | 145 | 119.3 Ų | 119.3 | 78% | 0.775 | 67% | 0.665 | S | S | * | * | 33.5 | 101.7 | 119 | -48.3 | -17.2 | 0 | 0 | 0 | 118.1 | |||||
| 632 | N | 38.7 | Very low | 48.9 | Very low | 141 Ų | 141 | 117.9 Ų | 117.9 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | -169.5 | 166.1 | 124.9 | -90 | -26.4 | 0 | 0 | 0 | 110 | D634 | N632-D634 PolarHBondContact O-N 2.92Š| |||
| 633 | S | 47.3 | Very low | 51.5 | Low | 95 Ų | 95 | 120.1 Ų | 120.1 | 66% | 0.664 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -81.5 | -7.5 | -167.7 | 42.6 | 0 | 0 | 0 | 0 | 116.1 | ||
| 634 | D | 54.6 | Low | 54 | Low | 116 Ų | 116 | 119.2 Ų | 119.2 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | trans | -107.7 | -11.6 | -151.6 | -55.5 | -13.4 | 0 | 0 | 0 | 113.9 | N632 N636 | N632-D634 PolarHBondContact O-N 2.92Å; D634-N636 PolarHBondContact O-N 3.25Å | ||
| 635 | D | 50.6 | Low | 56.7 | Low | 88 Ų | 88 | 121.1 Ų | 121.1 | 47% | 0.471 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | -5.8 | -174.6 | -76.7 | -51.6 | 0 | 0 | 0 | 115.6 | N637 N638 N639 | D635-N637 VanDerWaalsContact C-N 3.28Å; D635-N637 PolarHBondContact O-N 3.06Å; D635-N638 PolarHBondContact O-N 3.33Å; D635-N638 PolarHBondContact OD1-ND2 3.4Å; D635-N638 VanDerWaalsContact OD1-ND2 3.11Å; D635-N639 PolarHBondContact O-N 3.08Å; D635-N639 PolarHBondContact O-ND2 3.12Å |
| 636 | N | 53.5 | Low | 59.2 | Low | 120 Ų | 120 | 117.5 Ų | 117.5 | 64% | 0.642 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.3 | -34.8 | 179.7 | -74.8 | -40.6 | 0 | 0 | 0 | 112.5 | D634 V640 | D634-N636 PolarHBondContact O-N 3.25Å; N636-V640 WeakPolarHBondContact O-CG2 3.29Å; N636-V640 PolarHBondContact O-N 3.2Å |
| 637 | N | 61.2 | Low | 61.7 | Low | 118 Ų | 118 | 113.3 Ų | 113.3 | 63% | 0.631 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.2 | -45.2 | 177.7 | -66.6 | -22.1 | 0 | 0 | 0 | 111.4 | D635 N639 V640 D641 | D635-N637 VanDerWaalsContact C-N 3.28Å; D635-N637 PolarHBondContact O-N 3.06Å; N637-N639 VanDerWaalsContact C-N 3.3Å; N637-N639 PolarHBondContact O-N 3.24Å; N637-V640 PolarHBondContact O-N 3.37Å; N637-V640 VanDerWaalsContact O-N 3.1Å; N637-D641 PolarHBondContact O-N 3.44Å |
| 638 | N | 69.2 | Low | 64.3 | Low | 90 Ų | 90 | 111.4 Ų | 111.4 | 48% | 0.481 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -56.8 | -43.9 | 178.4 | -63.6 | -30.9 | 0 | 0 | 0 | 111.5 | D635 D641 I642 | D635-N638 PolarHBondContact O-N 3.33Å; D635-N638 PolarHBondContact OD1-ND2 3.4Å; D635-N638 VanDerWaalsContact OD1-ND2 3.11Å; N638-D641 PolarHBondContact O-N 3.3Å; N638-I642 WeakPolarHBondContact O-CD1 3.24Å; N638-I642 WeakPolarHBondContact O-CG1 3.47Å; N638-I642 PolarHBondContact O-N 3.12Å |
| 639 | N | 73.5 | Confident | 67 | Low | 88 Ų | 88 | 106.8 Ų | 106.8 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.2 | -36.7 | 177.5 | -73.8 | -57 | 0 | 0 | 0 | 112.9 | D635 N637 L643 | D635-N639 PolarHBondContact O-N 3.08Å; D635-N639 PolarHBondContact O-ND2 3.12Å; N637-N639 VanDerWaalsContact C-N 3.3Å; N637-N639 PolarHBondContact O-N 3.24Å; N639-L643 WeakPolarHBondContact O-CB 3.43Å; N639-L643 VanDerWaalsContact O-CG 3.27Å; N639-L643 WeakPolarHBondContact O-CG 3.35Å; N639-L643 PolarHBondContact O-N 3.23Å |
| 640 | V | 79.2 | Confident | 69.7 | Low | 91 Ų | 91 | 104.6 Ų | 104.6 | 55% | 0.552 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.2 | -43.1 | 175.2 | 168.6 | 0 | 0 | 0 | 0 | 111.4 | N636 N637 L643 K644 | N636-V640 WeakPolarHBondContact O-CG2 3.29Å; N636-V640 PolarHBondContact O-N 3.2Å; N637-V640 PolarHBondContact O-N 3.37Å; N637-V640 VanDerWaalsContact O-N 3.1Å; V640-L643 PolarHBondContact O-N 2.9Å; V640-K644 WeakPolarHBondContact O-CB 3.35Å; V640-K644 PolarHBondContact O-N 2.94Å |
| 641 | D | 79.6 | Confident | 72.3 | Confident | 100 Ų | 100 | 101.6 Ų | 101.6 | 54% | 0.535 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67 | -37.1 | 177.8 | -75.7 | -37.4 | 0 | 0 | 0 | 112.3 | N637 N638 K644 H645 | N637-D641 PolarHBondContact O-N 3.44Å; N638-D641 PolarHBondContact O-N 3.3Å; D641-K644 PolarHBondContact O-N 3.25Å; D641-H645 PolarHBondContact O-N 3.43Å |
| 642 | I | 84.3 | Confident | 75 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.9 | -49 | 172.2 | -69.3 | 165.6 | 0 | 0 | 0 | 110.8 | N638 K644 H645 Q646 | N638-I642 WeakPolarHBondContact O-CD1 3.24Å; N638-I642 WeakPolarHBondContact O-CG1 3.47Å; N638-I642 PolarHBondContact O-N 3.12Å; I642-K644 VanDerWaalsContact C-N 3.29Å; I642-K644 PolarHBondContact O-N 2.99Å; I642-H645 PolarHBondContact O-N 3.4Å; I642-Q646 WeakPolarHBondContact O-CG 3.39Å; I642-Q646 PolarHBondContact O-N 3.43Å |
| 643 | L | 83.2 | Confident | 77.5 | Confident | 122 Ų | 122 | 98.1 Ų | 98.1 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.2 | -36.9 | 178.5 | -74.2 | 169.7 | 0 | 0 | 0 | 112.1 | N639 V640 Q646 C647 | N639-L643 WeakPolarHBondContact O-CB 3.43Å; N639-L643 VanDerWaalsContact O-CG 3.27Å; N639-L643 WeakPolarHBondContact O-CG 3.35Å; N639-L643 PolarHBondContact O-N 3.23Å; V640-L643 PolarHBondContact O-N 2.9Å; L643-Q646 PolarHBondContact O-N 2.82Å; L643-C647 WeakPolarHBondContact O-CB 3.28Å; L643-C647 PolarHBondContact O-N 3.35Å |
| 644 | K | 86.2 | Confident | 79.4 | Confident | 125 Ų | 125 | 97.7 Ų | 97.7 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -49.1 | 174.2 | -175.5 | -178.4 | 174.9 | -170.9 | 0 | 111.7 | V640 D641 I642 Q646 C647 D648 | V640-K644 WeakPolarHBondContact O-CB 3.35Å; V640-K644 PolarHBondContact O-N 2.94Å; D641-K644 PolarHBondContact O-N 3.25Å; I642-K644 VanDerWaalsContact C-N 3.29Å; I642-K644 PolarHBondContact O-N 2.99Å; K644-Q646 VanDerWaalsContact C-N 3.28Å; K644-Q646 PolarHBondContact O-N 2.94Å; K644-C647 WeakPolarHBondContact O-CA 3.32Å; K644-C647 WeakPolarHBondContact O-CB 3.41Å; K644-C647 PolarHBondContact O-N 2.87Å; K644-D648 PolarHBondContact O-N 3.28Å |
| 645 | H | 86 | Confident | 81.1 | Confident | 129 Ų | 129 | 98.3 Ų | 98.3 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -35.6 | 176.5 | -174.3 | -63.9 | 0 | 0 | 0 | 112.4 | D641 I642 S649 | D641-H645 PolarHBondContact O-N 3.43Å; I642-H645 PolarHBondContact O-N 3.4Å; H645-S649 WeakPolarHBondContact O-CB 3.27Å; H645-S649 PolarHBondContact O-N 3.48Å; H645-S649 VanDerWaalsContact O-N 3.09Å |
| 646 | Q | 87.9 | Confident | 83 | Confident | 79 Ų | 79 | 99.6 Ų | 99.6 | 37% | 0.369 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 172 | -68.6 | -65.2 | -42.9 | 0 | 0 | 111.4 | I642 L643 K644 S649 I650 | I642-Q646 WeakPolarHBondContact O-CG 3.39Å; I642-Q646 PolarHBondContact O-N 3.43Å; L643-Q646 PolarHBondContact O-N 2.82Å; K644-Q646 VanDerWaalsContact C-N 3.28Å; K644-Q646 PolarHBondContact O-N 2.94Å; Q646-S649 PolarHBondContact O-N 3.25Å; Q646-I650 WeakPolarHBondContact O-CB 3.48Å; Q646-I650 WeakPolarHBondContact O-CD1 3.44Å; Q646-I650 VanDerWaalsContact O-CG1 3.28Å; Q646-I650 WeakPolarHBondContact O-CG1 3.33Å; Q646-I650 PolarHBondContact O-N 2.92Å |
| 647 | C | 86.6 | Confident | 84.9 | Confident | 80 Ų | 80 | 99 Ų | 99 | 54% | 0.541 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 177.3 | -168.7 | 0 | 0 | 0 | 0 | 112.4 | L643 K644 S649 I650 S651 | L643-C647 WeakPolarHBondContact O-CB 3.28Å; L643-C647 PolarHBondContact O-N 3.35Å; K644-C647 WeakPolarHBondContact O-CA 3.32Å; K644-C647 WeakPolarHBondContact O-CB 3.41Å; K644-C647 PolarHBondContact O-N 2.87Å; C647-S649 VanDerWaalsContact C-N 3.33Å; C647-S649 PolarHBondContact O-N 3.37Å; C647-I650 PolarHBondContact O-N 3.48Å; C647-S651 WeakPolarHBondContact O-CB 3.46Å; C647-S651 PolarHBondContact O-N 2.73Å |
| 648 | D | 90.5 | Very high | 86.3 | Confident | 96 Ų | 96 | 97.1 Ų | 97.1 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 177.7 | -67.3 | -28.2 | 0 | 0 | 0 | 111 | K644 S651 Q652 | K644-D648 PolarHBondContact O-N 3.28Å; D648-S651 WeakPolarHBondContact O-CB 3.28Å; D648-S651 PolarHBondContact O-N 3.05Å; D648-Q652 PolarHBondContact O-N 3.03Å |
| 649 | S | 90.4 | Very high | 87.4 | Confident | 44 Ų | 44 | 96.3 Ų | 96.3 | 31% | 0.308 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | 177.1 | -171 | 0 | 0 | 0 | 0 | 113 | H645 Q646 C647 S651 Q652 I653 | H645-S649 WeakPolarHBondContact O-CB 3.27Å; H645-S649 PolarHBondContact O-N 3.48Å; H645-S649 VanDerWaalsContact O-N 3.09Å; Q646-S649 PolarHBondContact O-N 3.25Å; C647-S649 VanDerWaalsContact C-N 3.33Å; C647-S649 PolarHBondContact O-N 3.37Å; S649-S651 VanDerWaalsContact C-N 3.32Å; S649-S651 PolarHBondContact O-N 3.47Å; S649-Q652 PolarHBondContact O-N 3.31Å; S649-I653 WeakPolarHBondContact O-CG1 3.46Å; S649-I653 PolarHBondContact O-N 3.22Å |
| 650 | I | 89.6 | Confident | 88.3 | Confident | 94 Ų | 94 | 95.5 Ų | 95.5 | 48% | 0.482 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 173.8 | -70.8 | 164 | 0 | 0 | 0 | 110.9 | Q646 C647 I653 N654 | Q646-I650 WeakPolarHBondContact O-CB 3.48Å; Q646-I650 WeakPolarHBondContact O-CD1 3.44Å; Q646-I650 VanDerWaalsContact O-CG1 3.28Å; Q646-I650 WeakPolarHBondContact O-CG1 3.33Å; Q646-I650 PolarHBondContact O-N 2.92Å; C647-I650 PolarHBondContact O-N 3.48Å; I650-I653 PolarHBondContact O-N 2.91Å; I650-N654 PolarHBondContact O-N 2.94Å; I650-N654 PolarHBondContact O-ND2 3.47Å |
| 651 | S | 90.3 | Very high | 89 | Confident | 72 Ų | 72 | 95.8 Ų | 95.8 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 175.4 | -165.7 | 0 | 0 | 0 | 0 | 111.6 | C647 D648 S649 I653 N654 E655 | C647-S651 WeakPolarHBondContact O-CB 3.46Å; C647-S651 PolarHBondContact O-N 2.73Å; D648-S651 WeakPolarHBondContact O-CB 3.28Å; D648-S651 PolarHBondContact O-N 3.05Å; S649-S651 VanDerWaalsContact C-N 3.32Å; S649-S651 PolarHBondContact O-N 3.47Å; S651-I653 PolarHBondContact O-N 3.1Å; S651-N654 PolarHBondContact O-N 2.91Å; S651-E655 PolarHBondContact O-N 3.41Å |
| 652 | Q | 91.8 | Very high | 89.6 | Confident | 123 Ų | 123 | 94.7 Ų | 94.7 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -40.3 | 177.1 | -168.3 | -179.8 | 27.8 | 0 | 0 | 112.5 | D648 S649 E655 Q656 | D648-Q652 PolarHBondContact O-N 3.03Å; S649-Q652 PolarHBondContact O-N 3.31Å; Q652-E655 PolarHBondContact O-N 3.02Å; Q652-Q656 WeakPolarHBondContact O-CG 3.41Å; Q652-Q656 PolarHBondContact O-N 3.07Å |
| 653 | I | 92.3 | Very high | 90 | Very high | 90 Ų | 90 | 96 Ų | 96 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 176.1 | -68.9 | 165.5 | 0 | 0 | 0 | 110.8 | S649 I650 S651 E655 Q656 L657 | S649-I653 WeakPolarHBondContact O-CG1 3.46Å; S649-I653 PolarHBondContact O-N 3.22Å; I650-I653 PolarHBondContact O-N 2.91Å; S651-I653 PolarHBondContact O-N 3.1Å; I653-E655 PolarHBondContact O-N 3.31Å; I653-Q656 PolarHBondContact O-N 2.99Å; I653-L657 HydrophobicContact CG2-CD1 3.98Å; I653-L657 HydrophobicContact CG2-CG 4.46Å; I653-L657 WeakPolarHBondContact O-CB 3.5Å; I653-L657 WeakPolarHBondContact O-CG 3.24Å; I653-L657 PolarHBondContact O-N 3.23Å |
| 654 | N | 86 | Confident | 90.4 | Very high | 87 Ų | 87 | 95.5 Ų | 95.5 | 47% | 0.465 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 177.5 | -72.8 | -27.7 | 0 | 0 | 0 | 112.7 | I650 S651 T658 | I650-N654 PolarHBondContact O-N 2.94Å; I650-N654 PolarHBondContact O-ND2 3.47Å; S651-N654 PolarHBondContact O-N 2.91Å; N654-T658 VanDerWaalsContact O-CB 3.28Å; N654-T658 WeakPolarHBondContact O-CB 3.42Å; N654-T658 PolarHBondContact O-N 3.35Å; N654-T658 PolarHBondContact O-OG1 3.32Å |
| 655 | E | 91.4 | Very high | 90.6 | Very high | 129 Ų | 129 | 94 Ų | 94 | 60% | 0.603 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.9 | -42.5 | 173.5 | -171.4 | 175.5 | -163.4 | 0 | 0 | 112.1 | S651 Q652 I653 T658 T659 | S651-E655 PolarHBondContact O-N 3.41Å; Q652-E655 PolarHBondContact O-N 3.02Å; I653-E655 PolarHBondContact O-N 3.31Å; E655-T658 PolarHBondContact O-N 2.74Å; E655-T659 WeakPolarHBondContact O-CG2 3.43Å; E655-T659 PolarHBondContact O-N 3.45Å; E655-T659 PolarHBondContact O-OG1 3.17Å |
| 656 | Q | 91 | Very high | 90.9 | Very high | 115 Ų | 115 | 94.6 Ų | 94.6 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 175.1 | -71.4 | -67.4 | -28.3 | 0 | 0 | 112.3 | Q652 I653 T659 T660 | Q652-Q656 WeakPolarHBondContact O-CG 3.41Å; Q652-Q656 PolarHBondContact O-N 3.07Å; I653-Q656 PolarHBondContact O-N 2.99Å; Q656-T659 PolarHBondContact O-OG1 3.43Å; Q656-T659 VanDerWaalsContact O-OG1 3.1Å; Q656-T660 VanDerWaalsContact O-CB 3.27Å; Q656-T660 WeakPolarHBondContact O-CB 3.28Å; Q656-T660 PolarHBondContact O-N 3.34Å; Q656-T660 PolarHBondContact O-OG1 3.06Å |
| 657 | L | 93.3 | Very high | 91.1 | Very high | 106 Ų | 106 | 94.3 Ų | 94.3 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.4 | -41.2 | 173.7 | -74.2 | 170.2 | 0 | 0 | 0 | 111.7 | I653 T660 L661 | I653-L657 HydrophobicContact CG2-CD1 3.98Å; I653-L657 HydrophobicContact CG2-CG 4.46Å; I653-L657 WeakPolarHBondContact O-CB 3.5Å; I653-L657 WeakPolarHBondContact O-CG 3.24Å; I653-L657 PolarHBondContact O-N 3.23Å; L657-T660 PolarHBondContact O-N 3.48Å; L657-L661 VanDerWaalsContact O-CB 3.24Å; L657-L661 WeakPolarHBondContact O-CB 3.49Å; L657-L661 PolarHBondContact O-N 3.45Å |
| 658 | T | 90.9 | Very high | 91.4 | Very high | 80 Ų | 80 | 99 Ų | 99 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.4 | -45.3 | -179.2 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | N654 E655 L661 I662 | N654-T658 VanDerWaalsContact O-CB 3.28Å; N654-T658 WeakPolarHBondContact O-CB 3.42Å; N654-T658 PolarHBondContact O-N 3.35Å; N654-T658 PolarHBondContact O-OG1 3.32Å; E655-T658 PolarHBondContact O-N 2.74Å; T658-L661 PolarHBondContact O-N 2.94Å; T658-I662 HydrophobicContact CG2-CD1 3.98Å; T658-I662 WeakPolarHBondContact O-CB 3.46Å; T658-I662 VanDerWaalsContact O-CG1 3.28Å; T658-I662 WeakPolarHBondContact O-CG1 3.27Å; T658-I662 PolarHBondContact O-N 3.06Å |
| 659 | T | 92 | Very high | 91.5 | Very high | 72 Ų | 72 | 98.8 Ų | 98.8 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -40.3 | 175.7 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | E655 Q656 I662 K663 | E655-T659 WeakPolarHBondContact O-CG2 3.43Å; E655-T659 PolarHBondContact O-N 3.45Å; E655-T659 PolarHBondContact O-OG1 3.17Å; Q656-T659 PolarHBondContact O-OG1 3.43Å; Q656-T659 VanDerWaalsContact O-OG1 3.1Å; T659-I662 PolarHBondContact O-N 2.95Å; T659-K663 PolarHBondContact O-N 2.9Å |
| 660 | T | 92.9 | Very high | 91.6 | Very high | 71 Ų | 71 | 99.5 Ų | 99.5 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 173.3 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | Q656 L657 K663 L664 | Q656-T660 VanDerWaalsContact O-CB 3.27Å; Q656-T660 WeakPolarHBondContact O-CB 3.28Å; Q656-T660 PolarHBondContact O-N 3.34Å; Q656-T660 PolarHBondContact O-OG1 3.06Å; L657-T660 PolarHBondContact O-N 3.48Å; T660-K663 WeakPolarHBondContact O-CB 3.46Å; T660-K663 PolarHBondContact O-N 2.84Å; T660-L664 HydrophobicContact CG2-CD1 4.16Å; T660-L664 WeakPolarHBondContact O-CG 3.38Å; T660-L664 PolarHBondContact O-N 3.33Å |
| 661 | L | 92.3 | Very high | 91.6 | Very high | 97 Ų | 97 | 100.1 Ų | 100.1 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 179.2 | -174.9 | 146.6 | 0 | 0 | 0 | 111.9 | L657 T658 K663 L664 Q665 | L657-L661 VanDerWaalsContact O-CB 3.24Å; L657-L661 WeakPolarHBondContact O-CB 3.49Å; L657-L661 PolarHBondContact O-N 3.45Å; T658-L661 PolarHBondContact O-N 2.94Å; L661-K663 VanDerWaalsContact C-N 3.34Å; L661-L664 PolarHBondContact O-N 3.06Å; L661-Q665 HydrophobicContact CD2-CG 4.29Å; L661-Q665 WeakPolarHBondContact O-CB 3.48Å; L661-Q665 WeakPolarHBondContact O-CG 3.41Å; L661-Q665 PolarHBondContact O-N 2.9Å |
| 662 | I | 92.3 | Very high | 91.5 | Very high | 78 Ų | 78 | 101.2 Ų | 101.2 | 40% | 0.4 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 172.3 | -70.4 | 165.8 | 0 | 0 | 0 | 110.9 | T658 T659 Q665 K666 | T658-I662 HydrophobicContact CG2-CD1 3.98Å; T658-I662 WeakPolarHBondContact O-CB 3.46Å; T658-I662 VanDerWaalsContact O-CG1 3.28Å; T658-I662 WeakPolarHBondContact O-CG1 3.27Å; T658-I662 PolarHBondContact O-N 3.06Å; T659-I662 PolarHBondContact O-N 2.95Å; I662-Q665 PolarHBondContact O-N 2.97Å; I662-K666 HydrophobicContact CG2-CD 4.45Å; I662-K666 WeakPolarHBondContact O-CG 3.28Å; I662-K666 PolarHBondContact O-N 3.44Å |
| 663 | K | 92.5 | Very high | 91.4 | Very high | 127 Ų | 127 | 99 Ų | 99 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.9 | -53.3 | 175.1 | -173.2 | -173.1 | 173.3 | -175.4 | 0 | 111 | T659 T660 L661 Q665 K666 D667 | T659-K663 PolarHBondContact O-N 2.9Å; T660-K663 WeakPolarHBondContact O-CB 3.46Å; T660-K663 PolarHBondContact O-N 2.84Å; L661-K663 VanDerWaalsContact C-N 3.34Å; K663-Q665 VanDerWaalsContact C-N 3.26Å; K663-Q665 PolarHBondContact O-N 2.79Å; K663-K666 WeakPolarHBondContact O-CB 3.35Å; K663-K666 PolarHBondContact O-N 2.89Å; K663-D667 VanDerWaalsContact O-CG 3.28Å; K663-D667 PolarHBondContact O-N 3.42Å |
| 664 | L | 91.3 | Very high | 91.2 | Very high | 111 Ų | 111 | 100.8 Ų | 100.8 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.3 | -33.5 | 179 | -69.5 | 172 | 0 | 0 | 0 | 112.8 | T660 L661 R668 | T660-L664 HydrophobicContact CG2-CD1 4.16Å; T660-L664 WeakPolarHBondContact O-CG 3.38Å; T660-L664 PolarHBondContact O-N 3.33Å; L661-L664 PolarHBondContact O-N 3.06Å; L664-R668 VanDerWaalsContact O-CB 3.28Å; L664-R668 WeakPolarHBondContact O-CB 3.5Å; L664-R668 PolarHBondContact O-N 3.36Å |
| 665 | Q | 91.8 | Very high | 91.2 | Very high | 95 Ų | 95 | 101.7 Ų | 101.7 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 172.6 | -77.1 | -177.3 | -6.1 | 0 | 0 | 112.6 | L661 I662 K663 R668 I669 | L661-Q665 HydrophobicContact CD2-CG 4.29Å; L661-Q665 WeakPolarHBondContact O-CB 3.48Å; L661-Q665 WeakPolarHBondContact O-CG 3.41Å; L661-Q665 PolarHBondContact O-N 2.9Å; I662-Q665 PolarHBondContact O-N 2.97Å; K663-Q665 VanDerWaalsContact C-N 3.26Å; K663-Q665 PolarHBondContact O-N 2.79Å; Q665-R668 PolarHBondContact O-N 2.87Å; Q665-I669 WeakPolarHBondContact O-CD1 3.44Å; Q665-I669 VanDerWaalsContact O-CG1 3.27Å; Q665-I669 WeakPolarHBondContact O-CG1 3.38Å; Q665-I669 PolarHBondContact O-N 2.98Å |
| 666 | K | 91.2 | Very high | 90.7 | Very high | 140 Ų | 140 | 101.4 Ų | 101.4 | 61% | 0.609 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.1 | -47.3 | 173.4 | -72.4 | 176.4 | 179.2 | -176.2 | 0 | 111.1 | I662 K663 R668 I669 A670 | I662-K666 HydrophobicContact CG2-CD 4.45Å; I662-K666 WeakPolarHBondContact O-CG 3.28Å; I662-K666 PolarHBondContact O-N 3.44Å; K663-K666 WeakPolarHBondContact O-CB 3.35Å; K663-K666 PolarHBondContact O-N 2.89Å; K666-R668 VanDerWaalsContact C-N 3.34Å; K666-R668 PolarHBondContact O-N 3.39Å; K666-I669 PolarHBondContact O-N 3.05Å; K666-I669 VanDerWaalsContact O-N 3.14Å; K666-A670 WeakPolarHBondContact O-CB 3.49Å; K666-A670 PolarHBondContact O-N 2.96Å |
| 667 | D | 92.4 | Very high | 90.2 | Very high | 74 Ų | 74 | 105.3 Ų | 105.3 | 40% | 0.396 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 179.3 | -62.2 | -18.9 | 0 | 0 | 0 | 111.2 | K663 I669 A670 L671 | K663-D667 VanDerWaalsContact O-CG 3.28Å; K663-D667 PolarHBondContact O-N 3.42Å; D667-I669 PolarHBondContact O-N 3.4Å; D667-A670 PolarHBondContact O-N 3.33Å; D667-L671 WeakPolarHBondContact O-CB 3.38Å; D667-L671 WeakPolarHBondContact O-CG 3.46Å; D667-L671 PolarHBondContact O-N 3.09Å |
| 668 | R | 93.6 | Very high | 89.3 | Confident | 177 Ų | 177 | 104.6 Ų | 104.6 | 67% | 0.668 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -41 | 173.4 | -172.5 | -173.9 | 72.6 | 154.4 | 2.7 | 112.7 | L664 Q665 K666 K672 | L664-R668 VanDerWaalsContact O-CB 3.28Å; L664-R668 WeakPolarHBondContact O-CB 3.5Å; L664-R668 PolarHBondContact O-N 3.36Å; Q665-R668 PolarHBondContact O-N 2.87Å; K666-R668 VanDerWaalsContact C-N 3.34Å; K666-R668 PolarHBondContact O-N 3.39Å; R668-K672 PolarHBondContact O-N 2.93Å |
| 669 | I | 93.1 | Very high | 88 | Confident | 93 Ų | 93 | 106.9 Ų | 106.9 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.4 | -42.8 | 178.2 | -69.9 | 164.6 | 0 | 0 | 0 | 110.3 | Q665 K666 D667 L671 K672 I673 | Q665-I669 WeakPolarHBondContact O-CD1 3.44Å; Q665-I669 VanDerWaalsContact O-CG1 3.27Å; Q665-I669 WeakPolarHBondContact O-CG1 3.38Å; Q665-I669 PolarHBondContact O-N 2.98Å; K666-I669 PolarHBondContact O-N 3.05Å; K666-I669 VanDerWaalsContact O-N 3.14Å; D667-I669 PolarHBondContact O-N 3.4Å; I669-L671 PolarHBondContact O-N 3.28Å; I669-K672 PolarHBondContact O-N 2.8Å; I669-I673 HydrophobicContact CG2-CD1 3.8Å; I669-I673 WeakPolarHBondContact O-CG1 3.49Å; I669-I673 PolarHBondContact O-N 3.46Å |
| 670 | A | 91.4 | Very high | 86.3 | Confident | 58 Ų | 58 | 107.9 Ų | 107.9 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K666 D667 I673 F674 | K666-A670 WeakPolarHBondContact O-CB 3.49Å; K666-A670 PolarHBondContact O-N 2.96Å; D667-A670 PolarHBondContact O-N 3.33Å; A670-I673 PolarHBondContact O-N 2.95Å; A670-F674 VanDerWaalsContact O-CB 3.32Å; A670-F674 WeakPolarHBondContact O-CB 3.24Å; A670-F674 PolarHBondContact O-N 2.97Å |
| 671 | L | 90.3 | Very high | 84.2 | Confident | 107 Ų | 107 | 109.9 Ų | 109.9 | 56% | 0.56 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.1 | -40 | 174.6 | -76.1 | 171.5 | 0 | 0 | 0 | 112.8 | D667 I669 F674 L675 | D667-L671 WeakPolarHBondContact O-CB 3.38Å; D667-L671 WeakPolarHBondContact O-CG 3.46Å; D667-L671 PolarHBondContact O-N 3.09Å; I669-L671 PolarHBondContact O-N 3.28Å; L671-F674 PolarHBondContact O-N 3.01Å; L671-L675 WeakPolarHBondContact O-CG 3.36Å; L671-L675 PolarHBondContact O-N 3.18Å |
| 672 | K | 88.4 | Confident | 82.2 | Confident | 96 Ų | 96 | 113.6 Ų | 113.6 | 42% | 0.417 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -50 | 174 | -173.7 | -174.5 | 170 | -171.3 | 0 | 110.8 | S136 R668 I669 F674 L675 E676 | S136-K672 PolarHBondContact OG-NZ 2.91Å; R668-K672 PolarHBondContact O-N 2.93Å; I669-K672 PolarHBondContact O-N 2.8Å; K672-F674 VanDerWaalsContact C-N 3.29Å; K672-F674 PolarHBondContact O-N 3.1Å; K672-L675 PolarHBondContact O-N 3.19Å; K672-E676 WeakPolarHBondContact CE-OE2 3.42Å; K672-E676 VanDerWaalsContact O-CB 3.24Å; K672-E676 WeakPolarHBondContact O-CB 3.27Å; K672-E676 PolarHBondContact O-N 2.97Å |
| 673 | I | 89.3 | Confident | 80.1 | Confident | 77 Ų | 77 | 116 Ų | 116 | 40% | 0.395 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.4 | -36.7 | 179.6 | -66.1 | 166.1 | 0 | 0 | 0 | 111.4 | I669 A670 R677 | I669-I673 HydrophobicContact CG2-CD1 3.8Å; I669-I673 WeakPolarHBondContact O-CG1 3.49Å; I669-I673 PolarHBondContact O-N 3.46Å; A670-I673 PolarHBondContact O-N 2.95Å; I673-R677 WeakPolarHBondContact O-CB 3.35Å; I673-R677 VanDerWaalsContact O-CG 3.29Å; I673-R677 WeakPolarHBondContact O-CG 3.33Å; I673-R677 PolarHBondContact O-N 3.03Å |
| 674 | F | 87.6 | Confident | 77.7 | Confident | 126 Ų | 126 | 119.7 Ų | 119.7 | 55% | 0.553 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.9 | -48 | 176.8 | -177.2 | -107.3 | 0 | 0 | 0 | 111.8 | A670 L671 K672 R677 L678 | A670-F674 VanDerWaalsContact O-CB 3.32Å; A670-F674 WeakPolarHBondContact O-CB 3.24Å; A670-F674 PolarHBondContact O-N 2.97Å; L671-F674 PolarHBondContact O-N 3.01Å; K672-F674 VanDerWaalsContact C-N 3.29Å; K672-F674 PolarHBondContact O-N 3.1Å; F674-R677 PolarHBondContact O-N 3.19Å; F674-L678 HydrophobicContact CD1-CD1 3.91Å; F674-L678 HydrophobicContact CE1-CD1 3.45Å; F674-L678 VanDerWaalsContact CE1-CD1 3.45Å; F674-L678 HydrophobicContact CE2-CD1 4.32Å; F674-L678 HydrophobicContact CZ-CD1 3.69Å; F674-L678 WeakPolarHBondContact O-CG 3.33Å; F674-L678 PolarHBondContact O-N 3.18Å; F674-L678 VanDerWaalsContact O-N 3.11Å |
| 675 | L | 85.6 | Confident | 77 | Confident | 107 Ų | 107 | 120.2 Ų | 120.2 | 56% | 0.56 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.7 | -46 | 175.2 | -69.4 | 169.8 | 0 | 0 | 0 | 111.5 | L671 K672 R677 L678 M679 | L671-L675 WeakPolarHBondContact O-CG 3.36Å; L671-L675 PolarHBondContact O-N 3.18Å; K672-L675 PolarHBondContact O-N 3.19Å; L675-R677 PolarHBondContact O-N 3.32Å; L675-L678 PolarHBondContact O-N 3.46Å; L675-M679 VanDerWaalsContact O-CG 3.3Å; L675-M679 WeakPolarHBondContact O-CG 3.45Å; L675-M679 PolarHBondContact O-N 3.11Å |
| 676 | E | 80.6 | Confident | 76.3 | Confident | 122 Ų | 122 | 121.5 Ų | 121.5 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.6 | -30.1 | 178.2 | -165.2 | 171.8 | 153.6 | 0 | 0 | 112.4 | K672 | K672-E676 WeakPolarHBondContact CE-OE2 3.42Å; K672-E676 VanDerWaalsContact O-CB 3.24Å; K672-E676 WeakPolarHBondContact O-CB 3.27Å; K672-E676 PolarHBondContact O-N 2.97Å |
| 677 | R | 81.4 | Confident | 75.4 | Confident | 198 Ų | 198 | 120.4 Ų | 120.4 | 75% | 0.747 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -83.3 | -16.5 | 172.7 | -74.8 | 178.5 | 174.6 | -167 | -1.3 | 115.2 | I673 F674 L675 P680 | I673-R677 WeakPolarHBondContact O-CB 3.35Å; I673-R677 VanDerWaalsContact O-CG 3.29Å; I673-R677 WeakPolarHBondContact O-CG 3.33Å; I673-R677 PolarHBondContact O-N 3.03Å; F674-R677 PolarHBondContact O-N 3.19Å; L675-R677 PolarHBondContact O-N 3.32Å; R677-P680 WeakPolarHBondContact O-CD 3.22Å |
| 678 | L | 74.1 | Confident | 74.4 | Confident | 90 Ų | 90 | 123.2 Ų | 123.2 | 47% | 0.471 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -92.9 | -19.3 | 175 | -72.3 | 177.8 | 0 | 0 | 0 | 113.4 | F674 L675 | F674-L678 HydrophobicContact CD1-CD1 3.91Å; F674-L678 HydrophobicContact CE1-CD1 3.45Å; F674-L678 VanDerWaalsContact CE1-CD1 3.45Å; F674-L678 HydrophobicContact CE2-CD1 4.32Å; F674-L678 HydrophobicContact CZ-CD1 3.69Å; F674-L678 WeakPolarHBondContact O-CG 3.33Å; F674-L678 PolarHBondContact O-N 3.18Å; F674-L678 VanDerWaalsContact O-N 3.11Å; L675-L678 PolarHBondContact O-N 3.46Å |
| 679 | M | 63.6 | Low | 73.2 | Confident | 129 Ų | 129 | 119.8 Ų | 119.8 | 64% | 0.635 | 61% | 0.607 | S | S | * | * | trans | -66.9 | -21.7 | 179.3 | -74.6 | -68.1 | -61 | 0 | 0 | 117.6 | L675 L681 | L675-M679 VanDerWaalsContact O-CG 3.3Å; L675-M679 WeakPolarHBondContact O-CG 3.45Å; L675-M679 PolarHBondContact O-N 3.11Å; M679-L681 PolarHBondContact O-N 3.33Å | ||
| 680 | P | 57.3 | Low | 71.9 | Confident | 92 Ų | 92 | 121.6 Ų | 121.6 | 60% | 0.597 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 59.6 | 179.5 | 34.8 | -34.7 | 0 | 0 | 0 | 112 | R677 | R677-P680 WeakPolarHBondContact O-CD 3.22Š|
| 681 | L | 47.1 | Very low | 70.5 | Confident | 113 Ų | 113 | 126.1 Ų | 126.1 | 59% | 0.592 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 2.1 | -178.4 | -89.4 | 171.7 | 0 | 0 | 0 | 115.3 | M679 T683 I684 | M679-L681 PolarHBondContact O-N 3.33Å; L681-T683 VanDerWaalsContact C-N 3.29Å; L681-T683 PolarHBondContact O-N 3.34Å; L681-I684 HydrophobicContact CD2-CD1 4.38Å |
| 682 | E | 51.8 | Low | 69 | Low | 175 Ų | 175 | 127.6 Ų | 127.6 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 21.4 | 176.8 | -63.3 | -178.2 | 130.3 | 0 | 0 | 113 | ||
| 683 | T | 48.5 | Very low | 67.4 | Low | 130 Ų | 130 | 130.3 Ų | 130.3 | 80% | 0.798 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | 37.6 | 178.5 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | L681 | L681-T683 VanDerWaalsContact C-N 3.29Å; L681-T683 PolarHBondContact O-N 3.34Å |
| 684 | I | 42 | Very low | 65.4 | Low | 204 Ų | 204 | 135.1 Ų | 135.1 | 100% | 1.046 | 67% | 0.672 | S | S | * | * | trans | -132.9 | 0 | 169.5 | -58.1 | -177.4 | 0 | 0 | 0 | 108.4 | L681 | L681-I684 HydrophobicContact CD2-CD1 4.38Š|
Retrieved 684 of 684 residues in 865.9 ms
(Link to these results)