| 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 | 35.3 | Very low | 42.4 | Very low | 231 Ų | 231 | 145.5 Ų | 145.5 | 100% | 1.138 | 79% | 0.792 | S | S | * | * | 0 | 107.8 | 0 | -79.1 | 162.8 | 155.5 | 0 | 0 | 108.2 | L3 | M1-L3 PolarHBondContact O-N 3.01Š| |||
| 2 | T | 33.6 | Very low | 42.9 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -85.5 | 94.2 | 178.7 | -28.3 | 0 | 0 | 0 | 0 | 107.7 | K4 | T2-K4 VanDerWaalsContact C-N 3.34Å; T2-K4 PolarHBondContact O-N 3.21Å | ||
| 3 | L | 39 | Very low | 42.8 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -66.1 | 96.8 | 168.1 | -82.2 | 95.2 | 0 | 0 | 0 | 108.1 | M1 G5 | M1-L3 PolarHBondContact O-N 3.01Å; L3-G5 VanDerWaalsContact C-N 3.32Å; L3-G5 PolarHBondContact O-N 3.03Å | ||
| 4 | K | 44.6 | Very low | 42.7 | Very low | 191 Ų | 191 | 141.9 Ų | 141.9 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -86.3 | 85.3 | 159.6 | -73.7 | -178 | 176.9 | 172.1 | 0 | 107.2 | T2 L6 | T2-K4 VanDerWaalsContact C-N 3.34Å; T2-K4 PolarHBondContact O-N 3.21Å; K4-L6 PolarHBondContact O-N 3.31Å; K4-L6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | G | 40.5 | Very low | 42.9 | Very low | 68 Ų | 68 | 147.5 Ų | 147.5 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -67.5 | 98 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | L3 C7 | L3-G5 VanDerWaalsContact C-N 3.32Å; L3-G5 PolarHBondContact O-N 3.03Å; G5-C7 PolarHBondContact O-N 3.09Å | ||
| 6 | L | 44.3 | Very low | 42.9 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -82.6 | 97 | 167.7 | -165.8 | 72 | 0 | 0 | 0 | 107.5 | K4 I8 | K4-L6 PolarHBondContact O-N 3.31Å; K4-L6 VanDerWaalsContact O-N 3.09Å; L6-I8 HydrophobicContact CD2-CD1 3.55Å; L6-I8 HydrophobicContact CD2-CG1 4.24Å; L6-I8 HydrophobicContact CG-CD1 3.96Å; L6-I8 HydrophobicContact CG-CG1 4.08Å; L6-I8 PolarHBondContact O-N 2.97Å | ||
| 7 | C | 42.8 | Very low | 42.5 | Very low | 130 Ų | 130 | 146 Ų | 146 | 88% | 0.878 | 79% | 0.785 | S | S | * | * | trans | -68.9 | 96.1 | 172.6 | -74.1 | 0 | 0 | 0 | 0 | 109.8 | G5 | G5-C7 PolarHBondContact O-N 3.09Š| ||
| 8 | I | 47 | Very low | 42.5 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | trans | -115.3 | 104.7 | 163.3 | -59.3 | 169.8 | 0 | 0 | 0 | 107 | L6 | L6-I8 HydrophobicContact CD2-CD1 3.55Å; L6-I8 HydrophobicContact CD2-CG1 4.24Å; L6-I8 HydrophobicContact CG-CD1 3.96Å; L6-I8 HydrophobicContact CG-CG1 4.08Å; L6-I8 PolarHBondContact O-N 2.97Å | ||
| 9 | N | 42.5 | Very low | 42.2 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.5 | 66.2 | 162.5 | -63.1 | -44.8 | 0 | 0 | 0 | 117.3 | F11 | N9-F11 PolarHBondContact O-N 3.22Š|
| 10 | N | 49.8 | Very low | 41.7 | Very low | 147 Ų | 147 | 145.8 Ų | 145.8 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.4 | 15.4 | 151 | -103.7 | -96.5 | 0 | 0 | 0 | 118 | ||
| 11 | F | 47.4 | Very low | 41.6 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 58% | 0.583 | 78% | 0.783 | S | S | * | * | trans | -117.4 | 111.5 | 169.8 | -131.7 | -96.6 | 0 | 0 | 0 | 109 | N9 C13 F93 | N9-F11 PolarHBondContact O-N 3.22Å; F11-C13 PolarHBondContact O-N 3.28Å; F11-C13 VanDerWaalsContact O-N 3.08Å; F11-F93 HydrophobicContact CZ-CD2 4.3Å; F11-F93 HydrophobicContact CZ-CE2 4.44Å | ||
| 12 | I | 48.5 | Very low | 41.7 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | -68.3 | 104.8 | 175.4 | -67.1 | 166 | 0 | 0 | 0 | 107.3 | V14 | I12-V14 HydrophobicContact CG2-CG2 3.85Å; I12-V14 PolarHBondContact O-N 2.95Å | ||
| 13 | C | 41.1 | Very low | 41.6 | Very low | 113 Ų | 113 | 143 Ų | 143 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | trans | -84.8 | 98.6 | 164.2 | -86.5 | 0 | 0 | 0 | 0 | 108.5 | F11 R15 | F11-C13 PolarHBondContact O-N 3.28Å; F11-C13 VanDerWaalsContact O-N 3.08Å; C13-R15 PolarHBondContact O-N 3.37Å | ||
| 14 | V | 41.4 | Very low | 41.5 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -71.1 | 95.3 | 164.8 | -175.9 | 0 | 0 | 0 | 0 | 107.4 | I12 V16 | I12-V14 HydrophobicContact CG2-CG2 3.85Å; I12-V14 PolarHBondContact O-N 2.95Å; V14-V16 HydrophobicContact CG1-CG2 4.28Å | ||
| 15 | R | 46.5 | Very low | 40.9 | Very low | 225 Ų | 225 | 143.5 Ų | 143.5 | 85% | 0.849 | 77% | 0.771 | S | S | * | * | trans | -91 | 104.1 | 164 | -104.1 | -167 | -177.7 | 137.5 | 0.2 | 108.4 | C13 | C13-R15 PolarHBondContact O-N 3.37Š| ||
| 16 | V | 41.7 | Very low | 40.7 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -72.1 | 121.2 | 159.4 | 177.8 | 0 | 0 | 0 | 0 | 107 | V14 | V14-V16 HydrophobicContact CG1-CG2 4.28Š| ||
| 17 | L | 37.4 | Very low | 40.8 | Very low | 143 Ų | 143 | 145.4 Ų | 145.4 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | -123 | 131.8 | 167.9 | -133.5 | 89.9 | 0 | 0 | 0 | 109.2 | ||||
| 18 | P | 41 | Very low | 40.4 | Very low | 119 Ų | 119 | 145.2 Ų | 145.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -80.2 | 160.1 | -178 | 32.7 | -32.3 | 0 | 0 | 0 | 112.8 | ||||
| 19 | K | 37.5 | Very low | 40.5 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -49.1 | 164.8 | -174 | -117.3 | -166.7 | -178.5 | 176.5 | 0 | 117 | ||||
| 20 | P | 32.9 | Very low | 40.3 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | -129.6 | 168.1 | 128.1 | 36.1 | -24.3 | 0 | 0 | 0 | 114.1 | |||||
| 21 | Q | 39.2 | Very low | 40.5 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | trans | -110.6 | 161.6 | -162.1 | -142.1 | -145 | 53.4 | 0 | 0 | 112.6 | ||||
| 22 | R | 36.7 | Very low | 40.5 | Very low | 227 Ų | 227 | 141.3 Ų | 141.3 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | 94.1 | 126.3 | 143.2 | -150.8 | -178.4 | -63.7 | 159.8 | -2.4 | 119.6 | ||||
| 23 | G | 31.5 | Very low | 40.8 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | 161.8 | 111 | 158.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 24 | Q | 36.5 | Very low | 41.4 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -76.6 | 164.8 | 177.9 | -72.7 | 173.7 | -14.1 | 0 | 0 | 114.1 | ||||
| 25 | Q | 33.2 | Very low | 42 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | 129.3 | 111.3 | 146.4 | -72.5 | 165.9 | 78.4 | 0 | 0 | 110.5 | ||||
| 26 | S | 35.1 | Very low | 42.6 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | 110.1 | 115.7 | 64.7 | 164.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 27 | L | 48.2 | Very low | 43.9 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | trans | 59.8 | 107.1 | 141 | -148.4 | 90.4 | 0 | 0 | 0 | 118.8 | ||||
| 28 | T | 34.5 | Very low | 45.2 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | 166.8 | 141.8 | 104 | 41.8 | 0 | 0 | 0 | 0 | 109 | D30 | T28-D30 PolarHBondContact O-N 2.92Š| |||
| 29 | A | 48.4 | Very low | 46.6 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -59.9 | 114.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 30 | D | 38.2 | Very low | 48.3 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -141 | 130.2 | 151.9 | -145.4 | -26.6 | 0 | 0 | 0 | 107.6 | T28 D32 | T28-D30 PolarHBondContact O-N 2.92Å; D30-D32 VanDerWaalsContact C-N 3.3Å; D30-D32 PolarHBondContact O-N 2.99Å | ||
| 31 | T | 54.4 | Low | 50.2 | Low | 128 Ų | 128 | 135.7 Ų | 135.7 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | -88.5 | 78 | -166.1 | -37.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 32 | D | 46.5 | Very low | 51.9 | Low | 91 Ų | 91 | 132.7 Ų | 132.7 | 49% | 0.487 | 70% | 0.695 | S | S | . | * | trans | -78.6 | 129.9 | 178 | -85.8 | -45.3 | 0 | 0 | 0 | 110.7 | D30 Q34 F35 | D30-D32 VanDerWaalsContact C-N 3.3Å; D30-D32 PolarHBondContact O-N 2.99Å; D32-Q34 PolarHBondContact O-N 3.49Å; D32-F35 PolarHBondContact O-N 2.88Å | ||
| 33 | P | 55.7 | Low | 53.7 | Low | 110 Ų | 110 | 128.5 Ų | 128.5 | 71% | 0.714 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62.4 | -7.2 | 176.5 | 25.3 | -33.6 | 0 | 0 | 0 | 113.6 | ||
| 34 | Q | 52.4 | Low | 55.8 | Low | 160 Ų | 160 | 129.4 Ų | 129.4 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.5 | -28.1 | 173.1 | -162.7 | 176.4 | 24 | 0 | 0 | 112.6 | D32 H38 | D32-Q34 PolarHBondContact O-N 3.49Å; Q34-H38 PolarHBondContact O-N 3.35Å |
| 35 | F | 55.3 | Low | 57.4 | Low | 163 Ų | 163 | 125.6 Ų | 125.6 | 72% | 0.715 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -74.9 | -34.5 | -179.4 | -114.9 | -89.8 | 0 | 0 | 0 | 112.2 | D32 H38 R39 | D32-F35 PolarHBondContact O-N 2.88Å; F35-H38 PolarHBondContact O-N 2.81Å; F35-R39 WeakPolarHBondContact O-CB 3.37Å; F35-R39 PolarHBondContact O-N 3.08Å |
| 36 | D | 58.3 | Low | 59.1 | Low | 95 Ų | 95 | 120.7 Ų | 120.7 | 51% | 0.508 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.2 | -40.5 | 175.4 | -88.4 | -35.3 | 0 | 0 | 0 | 111.6 | H38 R39 E40 | D36-H38 VanDerWaalsContact C-N 3.3Å; D36-H38 PolarHBondContact O-N 2.98Å; D36-R39 PolarHBondContact O-N 2.88Å; D36-E40 WeakPolarHBondContact O-CB 3.28Å; D36-E40 PolarHBondContact O-N 3.2Å |
| 37 | F | 68.8 | Low | 60.5 | Low | 147 Ų | 147 | 123 Ų | 123 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.4 | -35 | 176.3 | -158.6 | -96.4 | 0 | 0 | 0 | 112.4 | L41 | F37-L41 HydrophobicContact CD1-CD1 3.7Å; F37-L41 HydrophobicContact CD1-CG 4.23Å; F37-L41 HydrophobicContact CE1-CD1 3.72Å; F37-L41 HydrophobicContact CE1-CG 4.13Å; F37-L41 WeakPolarHBondContact O-CB 3.45Å; F37-L41 WeakPolarHBondContact O-CG 3.13Å; F37-L41 PolarHBondContact O-N 3.41Å |
| 38 | H | 66.1 | Low | 61.1 | Low | 122 Ų | 122 | 121.3 Ų | 121.3 | 57% | 0.565 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73 | -31.3 | 176.5 | -153.3 | -68.8 | 0 | 0 | 0 | 112.1 | Q34 F35 D36 L42 | Q34-H38 PolarHBondContact O-N 3.35Å; F35-H38 PolarHBondContact O-N 2.81Å; D36-H38 VanDerWaalsContact C-N 3.3Å; D36-H38 PolarHBondContact O-N 2.98Å; H38-L42 WeakPolarHBondContact O-CB 2.9Å; H38-L42 PolarHBondContact O-N 3.03Å |
| 39 | R | 69.9 | Low | 62.5 | Low | 185 Ų | 185 | 120.3 Ų | 120.3 | 70% | 0.698 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.1 | -38.8 | 172.5 | -165.3 | -176.8 | -168.5 | -149 | 3.4 | 111.7 | F35 D36 L42 K43 | F35-R39 WeakPolarHBondContact O-CB 3.37Å; F35-R39 PolarHBondContact O-N 3.08Å; D36-R39 PolarHBondContact O-N 2.88Å; R39-L42 PolarHBondContact O-N 3Å; R39-K43 WeakPolarHBondContact O-CB 3.43Å; R39-K43 PolarHBondContact O-N 3.38Å |
| 40 | E | 72 | Confident | 63.1 | Low | 119 Ų | 119 | 120.9 Ų | 120.9 | 56% | 0.556 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.5 | -41.9 | 173.1 | -148.8 | 76.1 | -157.5 | 0 | 0 | 110.6 | D36 K43 E44 | D36-E40 WeakPolarHBondContact O-CB 3.28Å; D36-E40 PolarHBondContact O-N 3.2Å; E40-K43 PolarHBondContact O-N 3.31Å; E40-E44 WeakPolarHBondContact O-CB 3.49Å; E40-E44 PolarHBondContact O-N 2.9Å |
| 41 | L | 73.9 | Confident | 63.9 | Low | 95 Ų | 95 | 117.4 Ų | 117.4 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.1 | -38 | 174 | -86.1 | 167.9 | 0 | 0 | 0 | 112.8 | F37 K43 E44 M45 | F37-L41 HydrophobicContact CD1-CD1 3.7Å; F37-L41 HydrophobicContact CD1-CG 4.23Å; F37-L41 HydrophobicContact CE1-CD1 3.72Å; F37-L41 HydrophobicContact CE1-CG 4.13Å; F37-L41 WeakPolarHBondContact O-CB 3.45Å; F37-L41 WeakPolarHBondContact O-CG 3.13Å; F37-L41 PolarHBondContact O-N 3.41Å; L41-K43 VanDerWaalsContact C-N 3.35Å; L41-E44 PolarHBondContact O-N 2.94Å; L41-M45 VanDerWaalsContact O-CB 3.25Å; L41-M45 WeakPolarHBondContact O-CB 3.15Å; L41-M45 PolarHBondContact O-N 3.32Å |
| 42 | L | 73.6 | Confident | 63.9 | Low | 81 Ų | 81 | 114.9 Ų | 114.9 | 42% | 0.424 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66 | -41.1 | 174.8 | -124.1 | 145.5 | 0 | 0 | 0 | 110.8 | H38 R39 M45 D46 | H38-L42 WeakPolarHBondContact O-CB 2.9Å; H38-L42 PolarHBondContact O-N 3.03Å; R39-L42 PolarHBondContact O-N 3Å; L42-M45 HydrophobicContact CD2-CE 4.4Å; L42-M45 HydrophobicContact CG-CE 4.43Å; L42-M45 PolarHBondContact O-N 2.8Å; L42-D46 WeakPolarHBondContact O-CB 3.44Å; L42-D46 PolarHBondContact O-N 2.75Å |
| 43 | K | 75.8 | Confident | 64.1 | Low | 139 Ų | 139 | 112.1 Ų | 112.1 | 60% | 0.604 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.2 | -37 | 175.5 | -168 | 178.3 | -179.4 | -177.2 | 0 | 112.4 | R39 E40 L41 R47 | R39-K43 WeakPolarHBondContact O-CB 3.43Å; R39-K43 PolarHBondContact O-N 3.38Å; E40-K43 PolarHBondContact O-N 3.31Å; L41-K43 VanDerWaalsContact C-N 3.35Å; K43-R47 VanDerWaalsContact O-CB 3.27Å; K43-R47 WeakPolarHBondContact O-CB 3.39Å; K43-R47 PolarHBondContact O-N 2.64Å |
| 44 | E | 74.9 | Confident | 64 | Low | 98 Ų | 98 | 109 Ų | 109 | 46% | 0.458 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -75.4 | -33.4 | 176.7 | -159.2 | 62.9 | -166.4 | 0 | 0 | 111.7 | E40 L41 R47 L48 | E40-E44 WeakPolarHBondContact O-CB 3.49Å; E40-E44 PolarHBondContact O-N 2.9Å; L41-E44 PolarHBondContact O-N 2.94Å; E44-R47 PolarHBondContact O-N 2.81Å; E44-R47 IonicContact OE1-CZ 3.99Å; E44-R47 IonicContact OE1-NE 3.26Å; E44-R47 PolarHBondContact OE1-NE 3.45Å; E44-R47 IonicContact OE1-NH2 3.96Å; E44-R47 PolarHBondContact OE1-NH2 3.35Å; E44-R47 IonicContact OE2-CZ 3.52Å; E44-R47 IonicContact OE2-NE 3.21Å; E44-R47 PolarHBondContact OE2-NE 3.3Å; E44-R47 IonicContact OE2-NH2 2.88Å; E44-L48 VanDerWaalsContact O-CB 3.31Å; E44-L48 WeakPolarHBondContact O-CB 3.43Å; E44-L48 PolarHBondContact O-N 3.38Å |
| 45 | M | 71.1 | Confident | 64 | Low | 99 Ų | 99 | 103.9 Ų | 103.9 | 49% | 0.488 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 171.4 | -170 | 177 | 69.6 | 0 | 0 | 111.2 | L41 L42 R47 L48 E49 | L41-M45 VanDerWaalsContact O-CB 3.25Å; L41-M45 WeakPolarHBondContact O-CB 3.15Å; L41-M45 PolarHBondContact O-N 3.32Å; L42-M45 HydrophobicContact CD2-CE 4.4Å; L42-M45 HydrophobicContact CG-CE 4.43Å; L42-M45 PolarHBondContact O-N 2.8Å; M45-R47 VanDerWaalsContact C-N 3.27Å; M45-R47 PolarHBondContact O-N 3.49Å; M45-L48 CarbonylContact O-C 3.56Å; M45-L48 WeakPolarHBondContact O-CB 2.99Å; M45-L48 PolarHBondContact O-N 2.84Å; M45-L48 VanDerWaalsContact O-N 3.09Å; M45-E49 WeakPolarHBondContact O-CG 3.37Å; M45-E49 PolarHBondContact O-N 3.5Å |
| 46 | D | 68.4 | Low | 63.8 | Low | 82 Ų | 82 | 102.3 Ų | 102.3 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 173.3 | -82.7 | -36.3 | 0 | 0 | 0 | 111.4 | L42 E49 N50 | L42-D46 WeakPolarHBondContact O-CB 3.44Å; L42-D46 PolarHBondContact O-N 2.75Å; D46-E49 PolarHBondContact O-N 2.86Å; D46-N50 WeakPolarHBondContact O-CB 3.12Å; D46-N50 PolarHBondContact O-N 3.36Å; D46-N50 PolarHBondContact O-ND2 2.75Å; D46-N50 VanDerWaalsContact O-ND2 3.17Å |
| 47 | R | 65 | Low | 63.5 | Low | 152 Ų | 152 | 106 Ų | 106 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.7 | -34.6 | 176.3 | -158.9 | 172.2 | 84.2 | 108.7 | 4.5 | 111.9 | K43 E44 M45 S51 | K43-R47 VanDerWaalsContact O-CB 3.27Å; K43-R47 WeakPolarHBondContact O-CB 3.39Å; K43-R47 PolarHBondContact O-N 2.64Å; E44-R47 PolarHBondContact O-N 2.81Å; E44-R47 IonicContact OE1-CZ 3.99Å; E44-R47 IonicContact OE1-NE 3.26Å; E44-R47 PolarHBondContact OE1-NE 3.45Å; E44-R47 IonicContact OE1-NH2 3.96Å; E44-R47 PolarHBondContact OE1-NH2 3.35Å; E44-R47 IonicContact OE2-CZ 3.52Å; E44-R47 IonicContact OE2-NE 3.21Å; E44-R47 PolarHBondContact OE2-NE 3.3Å; E44-R47 IonicContact OE2-NH2 2.88Å; M45-R47 VanDerWaalsContact C-N 3.27Å; M45-R47 PolarHBondContact O-N 3.49Å; R47-S51 WeakPolarHBondContact O-CB 3.08Å; R47-S51 PolarHBondContact O-N 3.43Å; R47-S51 PolarHBondContact O-OG 3.43Å |
| 48 | L | 61.2 | Low | 62.7 | Low | 115 Ų | 115 | 104.9 Ų | 104.9 | 60% | 0.602 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -73.2 | -35.8 | 175.2 | -166.7 | 73 | 0 | 0 | 0 | 111.6 | E44 M45 S51 T52 | E44-L48 VanDerWaalsContact O-CB 3.31Å; E44-L48 WeakPolarHBondContact O-CB 3.43Å; E44-L48 PolarHBondContact O-N 3.38Å; M45-L48 CarbonylContact O-C 3.56Å; M45-L48 WeakPolarHBondContact O-CB 2.99Å; M45-L48 PolarHBondContact O-N 2.84Å; M45-L48 VanDerWaalsContact O-N 3.09Å; L48-S51 CarbonylContact O-C 3.59Å; L48-S51 PolarHBondContact O-N 2.84Å; L48-T52 PolarHBondContact O-N 2.91Å; L48-T52 PolarHBondContact O-OG1 2.87Å |
| 49 | E | 61.9 | Low | 61.8 | Low | 105 Ų | 105 | 106 Ų | 106 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 173.2 | -74 | 171.8 | 124.1 | 0 | 0 | 111 | M45 D46 S51 T52 A53 | M45-E49 WeakPolarHBondContact O-CG 3.37Å; M45-E49 PolarHBondContact O-N 3.5Å; D46-E49 PolarHBondContact O-N 2.86Å; E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 2.92Å; E49-T52 WeakPolarHBondContact O-CB 3.25Å; E49-T52 PolarHBondContact O-N 3.31Å; E49-T52 VanDerWaalsContact O-N 3.09Å; E49-A53 PolarHBondContact O-N 2.85Å |
| 50 | N | 61.2 | Low | 60.7 | Low | 116 Ų | 116 | 100.5 Ų | 100.5 | 62% | 0.62 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -31.5 | 170.9 | -69.9 | -25 | 0 | 0 | 0 | 112.6 | D46 A54 | D46-N50 WeakPolarHBondContact O-CB 3.12Å; D46-N50 PolarHBondContact O-N 3.36Å; D46-N50 PolarHBondContact O-ND2 2.75Å; D46-N50 VanDerWaalsContact O-ND2 3.17Å; N50-A54 PolarHBondContact O-N 3.49Å |
| 51 | S | 55.5 | Low | 59.6 | Low | 63 Ų | 63 | 99.7 Ų | 99.7 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77.3 | -25.5 | 173.3 | -58 | 0 | 0 | 0 | 0 | 112.4 | R47 L48 E49 A54 S55 | R47-S51 WeakPolarHBondContact O-CB 3.08Å; R47-S51 PolarHBondContact O-N 3.43Å; R47-S51 PolarHBondContact O-OG 3.43Å; L48-S51 CarbonylContact O-C 3.59Å; L48-S51 PolarHBondContact O-N 2.84Å; E49-S51 VanDerWaalsContact C-N 3.26Å; E49-S51 PolarHBondContact O-N 2.92Å; S51-A54 CarbonylContact O-C 3.59Å; S51-A54 PolarHBondContact O-N 3.44Å; S51-S55 VanDerWaalsContact O-CB 3.23Å; S51-S55 WeakPolarHBondContact O-CB 3.04Å; S51-S55 PolarHBondContact O-N 3.27Å |
| 52 | T | 54.2 | Low | 58.2 | Low | 76 Ų | 76 | 98.6 Ų | 98.6 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.9 | -38.6 | 171 | -55.7 | 0 | 0 | 0 | 0 | 109.7 | L48 E49 A54 S55 E56 | L48-T52 PolarHBondContact O-N 2.91Å; L48-T52 PolarHBondContact O-OG1 2.87Å; E49-T52 WeakPolarHBondContact O-CB 3.25Å; E49-T52 PolarHBondContact O-N 3.31Å; E49-T52 VanDerWaalsContact O-N 3.09Å; T52-A54 VanDerWaalsContact C-N 3.34Å; T52-S55 CarbonylContact O-C 3.46Å; T52-S55 PolarHBondContact O-N 2.82Å; T52-E56 WeakPolarHBondContact O-CB 3.21Å; T52-E56 WeakPolarHBondContact O-CG 3.42Å; T52-E56 PolarHBondContact O-N 2.82Å |
| 53 | A | 51.8 | Low | 57 | Low | 33 Ų | 33 | 100.3 Ų | 100.3 | 27% | 0.273 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.2 | -33.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E49 R57 | E49-A53 PolarHBondContact O-N 2.85Å; A53-R57 WeakPolarHBondContact O-CB 3.38Å; A53-R57 WeakPolarHBondContact O-CG 3.43Å; A53-R57 PolarHBondContact O-N 3.19Å |
| 54 | A | 53.3 | Low | 55.6 | Low | 44 Ų | 44 | 96.3 Ų | 96.3 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.8 | -34.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N50 S51 T52 R57 L58 | N50-A54 PolarHBondContact O-N 3.49Å; S51-A54 CarbonylContact O-C 3.59Å; S51-A54 PolarHBondContact O-N 3.44Å; T52-A54 VanDerWaalsContact C-N 3.34Å; A54-R57 PolarHBondContact O-N 3.17Å; A54-L58 WeakPolarHBondContact O-CB 3.41Å; A54-L58 WeakPolarHBondContact O-CG 3.46Å; A54-L58 PolarHBondContact O-N 3.14Å |
| 55 | S | 51.3 | Low | 54.4 | Low | 52 Ų | 52 | 95.6 Ų | 95.6 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.9 | -44.5 | 172.4 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | S51 T52 R57 L58 F59 | S51-S55 VanDerWaalsContact O-CB 3.23Å; S51-S55 WeakPolarHBondContact O-CB 3.04Å; S51-S55 PolarHBondContact O-N 3.27Å; T52-S55 CarbonylContact O-C 3.46Å; T52-S55 PolarHBondContact O-N 2.82Å; S55-R57 VanDerWaalsContact C-N 3.26Å; S55-R57 PolarHBondContact O-N 2.73Å; S55-L58 CarbonylContact O-C 3.57Å; S55-L58 PolarHBondContact O-N 2.86Å; S55-F59 VanDerWaalsContact O-CB 3.32Å; S55-F59 WeakPolarHBondContact O-CB 3.16Å; S55-F59 WeakPolarHBondContact O-CD2 3.48Å; S55-F59 PolarHBondContact O-N 2.77Å; S55-F59 WeakPolarHBondContact OG-CD2 3.4Å; S55-F59 WeakPolarHBondContact OG-CE2 3.44Å |
| 56 | E | 50.9 | Low | 53.3 | Low | 131 Ų | 131 | 93.7 Ų | 93.7 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.2 | -37.2 | 171.1 | -83.9 | -174 | 129 | 0 | 0 | 111.2 | T52 S60 | T52-E56 WeakPolarHBondContact O-CB 3.21Å; T52-E56 WeakPolarHBondContact O-CG 3.42Å; T52-E56 PolarHBondContact O-N 2.82Å; E56-S60 WeakPolarHBondContact O-CB 3.31Å; E56-S60 PolarHBondContact O-N 3.09Å; E56-S60 PolarHBondContact O-OG 3.38Å |
| 57 | R | 52.2 | Low | 52.4 | Low | 173 Ų | 173 | 91.8 Ų | 91.8 | 65% | 0.653 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69 | -42.3 | 173.2 | -74.9 | 171.8 | -171.8 | 165.7 | 4.6 | 112.8 | A53 A54 S55 S60 D61 | A53-R57 WeakPolarHBondContact O-CB 3.38Å; A53-R57 WeakPolarHBondContact O-CG 3.43Å; A53-R57 PolarHBondContact O-N 3.19Å; A54-R57 PolarHBondContact O-N 3.17Å; S55-R57 VanDerWaalsContact C-N 3.26Å; S55-R57 PolarHBondContact O-N 2.73Å; R57-S60 CarbonylContact O-C 3.5Å; R57-S60 PolarHBondContact O-N 3.48Å; R57-D61 WeakPolarHBondContact O-CB 3.24Å; R57-D61 PolarHBondContact O-N 3.21Å |
| 58 | L | 51.8 | Low | 51.5 | Low | 123 Ų | 123 | 92.5 Ų | 92.5 | 64% | 0.644 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.7 | -34.1 | 175.3 | -75.9 | 170.9 | 0 | 0 | 0 | 112.9 | A54 S55 D61 A62 | A54-L58 WeakPolarHBondContact O-CB 3.41Å; A54-L58 WeakPolarHBondContact O-CG 3.46Å; A54-L58 PolarHBondContact O-N 3.14Å; S55-L58 CarbonylContact O-C 3.57Å; S55-L58 PolarHBondContact O-N 2.86Å; L58-D61 PolarHBondContact O-N 3.47Å; L58-A62 WeakPolarHBondContact O-CB 3.27Å; L58-A62 PolarHBondContact O-N 2.86Å |
| 59 | F | 48.7 | Very low | 50.9 | Low | 146 Ų | 146 | 91.8 Ų | 91.8 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.6 | -40.7 | 169.4 | -88.1 | -78.5 | 0 | 0 | 0 | 109.9 | S55 D61 E63 | S55-F59 VanDerWaalsContact O-CB 3.32Å; S55-F59 WeakPolarHBondContact O-CB 3.16Å; S55-F59 WeakPolarHBondContact O-CD2 3.48Å; S55-F59 PolarHBondContact O-N 2.77Å; S55-F59 WeakPolarHBondContact OG-CD2 3.4Å; S55-F59 WeakPolarHBondContact OG-CE2 3.44Å; F59-D61 VanDerWaalsContact C-N 3.29Å; F59-D61 PolarHBondContact O-N 3.34Å; F59-E63 WeakPolarHBondContact O-CA 3.33Å; F59-E63 WeakPolarHBondContact O-CB 3.36Å; F59-E63 PolarHBondContact O-N 2.82Å |
| 60 | S | 46.3 | Very low | 50.5 | Low | 69 Ų | 69 | 92.2 Ų | 92.2 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -28 | 173.7 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | E56 R57 S64 | E56-S60 WeakPolarHBondContact O-CB 3.31Å; E56-S60 PolarHBondContact O-N 3.09Å; E56-S60 PolarHBondContact O-OG 3.38Å; R57-S60 CarbonylContact O-C 3.5Å; R57-S60 PolarHBondContact O-N 3.48Å; S60-S64 WeakPolarHBondContact O-CA 3.29Å; S60-S64 WeakPolarHBondContact O-CB 3.33Å; S60-S64 PolarHBondContact O-N 3.21Å; S60-S64 PolarHBondContact O-OG 2.87Å |
| 61 | D | 48.6 | Very low | 49.8 | Very low | 102 Ų | 102 | 89.7 Ų | 89.7 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -84.9 | -34.7 | 178 | -74.2 | -32.3 | 0 | 0 | 0 | 112.6 | R57 L58 F59 S64 A65 | R57-D61 WeakPolarHBondContact O-CB 3.24Å; R57-D61 PolarHBondContact O-N 3.21Å; L58-D61 PolarHBondContact O-N 3.47Å; F59-D61 VanDerWaalsContact C-N 3.29Å; F59-D61 PolarHBondContact O-N 3.34Å; D61-S64 VanDerWaalsContact CA-OG 3.31Å; D61-S64 WeakPolarHBondContact CA-OG 3.25Å; D61-S64 PolarHBondContact O-OG 3.26Å; D61-A65 PolarHBondContact O-N 2.88Å |
| 62 | A | 44.8 | Very low | 49.5 | Very low | 71 Ų | 71 | 91.4 Ų | 91.4 | 59% | 0.587 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.1 | -33.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L58 | L58-A62 WeakPolarHBondContact O-CB 3.27Å; L58-A62 PolarHBondContact O-N 2.86Å |
| 63 | E | 47.8 | Very low | 49.5 | Very low | 118 Ų | 118 | 94.6 Ų | 94.6 | 55% | 0.551 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.1 | -40.2 | 170.6 | -173.9 | 168.7 | 133.8 | 0 | 0 | 109.6 | F59 A65 A66 V67 | F59-E63 WeakPolarHBondContact O-CA 3.33Å; F59-E63 WeakPolarHBondContact O-CB 3.36Å; F59-E63 PolarHBondContact O-N 2.82Å; E63-A65 VanDerWaalsContact C-N 3.33Å; E63-A65 PolarHBondContact O-N 3.49Å; E63-A66 CarbonylContact O-C 3.44Å; E63-A66 WeakPolarHBondContact O-CA 3.39Å; E63-A66 PolarHBondContact O-N 2.96Å; E63-V67 HydrophobicContact CB-CG2 4.4Å; E63-V67 HydrophobicContact CG-CB 4.08Å; E63-V67 HydrophobicContact CG-CG2 3.24Å; E63-V67 WeakPolarHBondContact O-CA 3.12Å; E63-V67 WeakPolarHBondContact O-CB 3.31Å; E63-V67 WeakPolarHBondContact O-CG2 3.45Å; E63-V67 PolarHBondContact O-N 2.91Å |
| 64 | S | 47.1 | Very low | 49.9 | Very low | 55 Ų | 55 | 101.5 Ų | 101.5 | 39% | 0.385 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.5 | -36.5 | 178.6 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | S60 D61 A66 V67 E68 | S60-S64 WeakPolarHBondContact O-CA 3.29Å; S60-S64 WeakPolarHBondContact O-CB 3.33Å; S60-S64 PolarHBondContact O-N 3.21Å; S60-S64 PolarHBondContact O-OG 2.87Å; D61-S64 VanDerWaalsContact CA-OG 3.31Å; D61-S64 WeakPolarHBondContact CA-OG 3.25Å; D61-S64 PolarHBondContact O-OG 3.26Å; S64-A66 VanDerWaalsContact C-N 3.26Å; S64-A66 PolarHBondContact O-N 2.97Å; S64-V67 PolarHBondContact O-N 3.13Å; S64-E68 WeakPolarHBondContact O-CB 3.42Å; S64-E68 PolarHBondContact O-N 3.43Å |
| 65 | A | 49.6 | Very low | 50.3 | Low | 82 Ų | 82 | 103.2 Ų | 103.2 | 68% | 0.678 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.4 | -24.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D61 E63 | D61-A65 PolarHBondContact O-N 2.88Å; E63-A65 VanDerWaalsContact C-N 3.33Å; E63-A65 PolarHBondContact O-N 3.49Å |
| 66 | A | 47.9 | Very low | 50.9 | Low | 59 Ų | 59 | 104.5 Ų | 104.5 | 49% | 0.488 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -95.4 | -27.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E63 S64 S69 | E63-A66 CarbonylContact O-C 3.44Å; E63-A66 WeakPolarHBondContact O-CA 3.39Å; E63-A66 PolarHBondContact O-N 2.96Å; S64-A66 VanDerWaalsContact C-N 3.26Å; S64-A66 PolarHBondContact O-N 2.97Å; A66-S69 PolarHBondContact O-OG 3.34Å |
| 67 | V | 49 | Very low | 51.9 | Low | 43 Ų | 43 | 99.9 Ų | 99.9 | 26% | 0.261 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -95.7 | -11.9 | -173.7 | 170.7 | 0 | 0 | 0 | 0 | 112.2 | E63 S64 S69 Q70 A71 | E63-V67 HydrophobicContact CB-CG2 4.4Å; E63-V67 HydrophobicContact CG-CB 4.08Å; E63-V67 HydrophobicContact CG-CG2 3.24Å; E63-V67 WeakPolarHBondContact O-CA 3.12Å; E63-V67 WeakPolarHBondContact O-CB 3.31Å; E63-V67 WeakPolarHBondContact O-CG2 3.45Å; E63-V67 PolarHBondContact O-N 2.91Å; S64-V67 PolarHBondContact O-N 3.13Å; V67-S69 PolarHBondContact O-N 3.42Å; V67-S69 VanDerWaalsContact O-N 3.12Å; V67-Q70 HydrophobicContact CG1-CB 4.27Å; V67-Q70 CarbonylContact O-C 3.44Å; V67-Q70 WeakPolarHBondContact O-CA 3.11Å; V67-Q70 PolarHBondContact O-N 2.88Å; V67-A71 PolarHBondContact O-N 2.89Å |
| 68 | E | 45.7 | Very low | 53 | Low | 166 Ų | 166 | 97.4 Ų | 97.4 | 78% | 0.776 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -15.4 | 165.1 | -166.7 | 152.7 | -158.4 | 0 | 0 | 111.8 | S64 | S64-E68 WeakPolarHBondContact O-CB 3.42Å; S64-E68 PolarHBondContact O-N 3.43Å |
| 69 | S | 49.3 | Very low | 54.5 | Low | 100 Ų | 100 | 93.4 Ų | 93.4 | 70% | 0.699 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -16.6 | 165.2 | 75.7 | 0 | 0 | 0 | 0 | 114.7 | A66 V67 | A66-S69 PolarHBondContact O-OG 3.34Å; V67-S69 PolarHBondContact O-N 3.42Å; V67-S69 VanDerWaalsContact O-N 3.12Å |
| 70 | Q | 53.1 | Low | 56.2 | Low | 114 Ų | 114 | 90.6 Ų | 90.6 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108 | -13.2 | -176.6 | -66.8 | -172.1 | -80.4 | 0 | 0 | 114.3 | V67 A72 R73 | V67-Q70 HydrophobicContact CG1-CB 4.27Å; V67-Q70 CarbonylContact O-C 3.44Å; V67-Q70 WeakPolarHBondContact O-CA 3.11Å; V67-Q70 PolarHBondContact O-N 2.88Å; Q70-A72 PolarHBondContact O-N 2.83Å; Q70-R73 PolarHBondContact O-N 3.45Å |
| 71 | A | 46.8 | Very low | 58.1 | Low | 63 Ų | 63 | 91.9 Ų | 91.9 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | -9.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | V67 R73 | V67-A71 PolarHBondContact O-N 2.89Å; A71-R73 VanDerWaalsContact C-N 3.27Å; A71-R73 PolarHBondContact O-N 3.26Å |
| 72 | A | 48.9 | Very low | 60 | Low | 100 Ų | 100 | 95 Ų | 95 | 83% | 0.826 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 2.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q70 | Q70-A72 PolarHBondContact O-N 2.83Š|
| 73 | R | 54.3 | Low | 62 | Low | 143 Ų | 143 | 96 Ų | 96 | 54% | 0.54 | 55% | 0.554 | S | S | . | * | trans | -123 | 35.8 | -171.8 | -141.7 | 173.9 | -177.9 | -163.2 | 1.7 | 113.3 | Q70 A71 G75 Y80 | Q70-R73 PolarHBondContact O-N 3.45Å; A71-R73 VanDerWaalsContact C-N 3.27Å; A71-R73 PolarHBondContact O-N 3.26Å; R73-G75 PolarHBondContact O-N 3.02Å; R73-Y80 PolarHBondContact NH2-OH 3.37Å | ||
| 74 | E | 60.5 | Low | 63.9 | Low | 178 Ų | 178 | 95.5 Ų | 95.5 | 83% | 0.832 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | 99.1 | 175.1 | -151.5 | 93.8 | 166.1 | 0 | 0 | 110.4 | ||
| 75 | G | 62.7 | Low | 66 | Low | 80 Ų | 80 | 98.1 Ų | 98.1 | 83% | 0.825 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.8 | -26 | 173 | 0 | 0 | 0 | 0 | 0 | 115.4 | R73 | R73-G75 PolarHBondContact O-N 3.02Š|
| 76 | N | 63.7 | Low | 68 | Low | 79 Ų | 79 | 98.4 Ų | 98.4 | 42% | 0.422 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -125.6 | 6.4 | -178.8 | -153.6 | 69 | 0 | 0 | 0 | 114.1 | N78 A79 Y80 | N76-N78 VanDerWaalsContact C-N 3.3Å; N76-N78 PolarHBondContact O-N 3.06Å; N76-A79 PolarHBondContact O-N 3.18Å; N76-Y80 HydrophobicContact CB-CD2 4.35Å; N76-Y80 HydrophobicContact CB-CE2 3.9Å; N76-Y80 WeakPolarHBondContact ND2-CE2 3.4Å; N76-Y80 WeakPolarHBondContact O-CD2 3.2Å; N76-Y80 PolarHBondContact O-N 2.8Å |
| 77 | G | 70.3 | Confident | 70 | Confident | 34 Ų | 34 | 100.9 Ų | 100.9 | 35% | 0.351 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56 | -40.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A79 Y80 L81 | G77-A79 PolarHBondContact O-N 3.06Å; G77-Y80 PolarHBondContact O-N 2.95Å; G77-Y80 VanDerWaalsContact O-N 3.17Å; G77-L81 WeakPolarHBondContact O-CG 3.39Å; G77-L81 PolarHBondContact O-N 3.17Å |
| 78 | N | 77.2 | Confident | 72.1 | Confident | 120 Ų | 120 | 102.2 Ų | 102.2 | 64% | 0.642 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.7 | -42.9 | -179.6 | -65.7 | -20.6 | 0 | 0 | 0 | 112.6 | N76 Y80 L81 Y82 | N76-N78 VanDerWaalsContact C-N 3.3Å; N76-N78 PolarHBondContact O-N 3.06Å; N78-Y80 VanDerWaalsContact C-N 3.34Å; N78-Y80 PolarHBondContact O-N 3.09Å; N78-L81 WeakPolarHBondContact O-CB 3.37Å; N78-L81 PolarHBondContact O-N 2.76Å; N78-Y82 HydrophobicContact CB-CE2 4.44Å; N78-Y82 WeakPolarHBondContact O-CD2 2.94Å; N78-Y82 PolarHBondContact O-N 2.96Å |
| 79 | A | 83.3 | Confident | 74.3 | Confident | 39 Ų | 39 | 101.3 Ų | 101.3 | 32% | 0.322 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.5 | -40.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N76 G77 Y82 I83 | N76-A79 PolarHBondContact O-N 3.18Å; G77-A79 PolarHBondContact O-N 3.06Å; A79-Y82 PolarHBondContact O-N 3.5Å; A79-I83 WeakPolarHBondContact O-CD1 3.06Å; A79-I83 VanDerWaalsContact O-CG1 3.25Å; A79-I83 WeakPolarHBondContact O-CG1 3.42Å; A79-I83 PolarHBondContact O-N 3.41Å |
| 80 | Y | 83.5 | Confident | 76.4 | Confident | 87 Ų | 87 | 103 Ų | 103 | 34% | 0.341 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.6 | -38.9 | 174.3 | -67.3 | -68.1 | 0 | 0 | 0 | 111.9 | R73 N76 G77 N78 Y82 I83 L84 | R73-Y80 PolarHBondContact NH2-OH 3.37Å; N76-Y80 HydrophobicContact CB-CD2 4.35Å; N76-Y80 HydrophobicContact CB-CE2 3.9Å; N76-Y80 WeakPolarHBondContact ND2-CE2 3.4Å; N76-Y80 WeakPolarHBondContact O-CD2 3.2Å; N76-Y80 PolarHBondContact O-N 2.8Å; G77-Y80 PolarHBondContact O-N 2.95Å; G77-Y80 VanDerWaalsContact O-N 3.17Å; N78-Y80 VanDerWaalsContact C-N 3.34Å; N78-Y80 PolarHBondContact O-N 3.09Å; Y80-Y82 PolarHBondContact O-N 2.86Å; Y80-I83 HydrophobicContact CD1-CD1 4.49Å; Y80-I83 PolarHBondContact O-N 3.48Å; Y80-L84 WeakPolarHBondContact O-CB 3.46Å; Y80-L84 WeakPolarHBondContact O-CG 3.49Å; Y80-L84 PolarHBondContact O-N 2.88Å |
| 81 | L | 85.8 | Confident | 78.2 | Confident | 96 Ų | 96 | 99.4 Ų | 99.4 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 173.9 | -66.9 | 174.4 | 0 | 0 | 0 | 111.5 | G77 N78 I83 L84 I85 | G77-L81 WeakPolarHBondContact O-CG 3.39Å; G77-L81 PolarHBondContact O-N 3.17Å; N78-L81 WeakPolarHBondContact O-CB 3.37Å; N78-L81 PolarHBondContact O-N 2.76Å; L81-I83 PolarHBondContact O-N 2.73Å; L81-L84 PolarHBondContact O-N 3.39Å; L81-I85 WeakPolarHBondContact O-CB 3.45Å; L81-I85 WeakPolarHBondContact O-CD1 3.34Å; L81-I85 WeakPolarHBondContact O-CG1 3.22Å; L81-I85 PolarHBondContact O-N 3.23Å |
| 82 | Y | 88.6 | Confident | 80.3 | Confident | 168 Ų | 168 | 101.1 Ų | 101.1 | 66% | 0.659 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.9 | -44.7 | 173.6 | -73.1 | -69.1 | 0 | 0 | 0 | 112.1 | N78 A79 Y80 L84 I85 V86 | N78-Y82 HydrophobicContact CB-CE2 4.44Å; N78-Y82 WeakPolarHBondContact O-CD2 2.94Å; N78-Y82 PolarHBondContact O-N 2.96Å; A79-Y82 PolarHBondContact O-N 3.5Å; Y80-Y82 PolarHBondContact O-N 2.86Å; Y82-L84 PolarHBondContact O-N 3.34Å; Y82-I85 PolarHBondContact O-N 3.49Å; Y82-V86 WeakPolarHBondContact O-CB 3.45Å; Y82-V86 WeakPolarHBondContact O-CG2 3.37Å; Y82-V86 PolarHBondContact O-N 2.97Å |
| 83 | I | 87.1 | Confident | 82.4 | Confident | 92 Ų | 92 | 100.5 Ų | 100.5 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.5 | -65.6 | 162.2 | 0 | 0 | 0 | 110.5 | A79 Y80 L81 V86 M87 | A79-I83 WeakPolarHBondContact O-CD1 3.06Å; A79-I83 VanDerWaalsContact O-CG1 3.25Å; A79-I83 WeakPolarHBondContact O-CG1 3.42Å; A79-I83 PolarHBondContact O-N 3.41Å; Y80-I83 HydrophobicContact CD1-CD1 4.49Å; Y80-I83 PolarHBondContact O-N 3.48Å; L81-I83 PolarHBondContact O-N 2.73Å; I83-V86 PolarHBondContact O-N 3.32Å; I83-M87 HydrophobicContact CG2-CG 4.12Å; I83-M87 WeakPolarHBondContact O-CB 3.37Å; I83-M87 VanDerWaalsContact O-CG 3.22Å; I83-M87 WeakPolarHBondContact O-CG 3.15Å; I83-M87 PolarHBondContact O-N 3.43Å |
| 84 | L | 88.1 | Confident | 84 | Confident | 107 Ų | 107 | 96.9 Ų | 96.9 | 56% | 0.56 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 178.8 | -72.5 | 170.9 | 0 | 0 | 0 | 111.9 | Y80 L81 Y82 S88 | Y80-L84 WeakPolarHBondContact O-CB 3.46Å; Y80-L84 WeakPolarHBondContact O-CG 3.49Å; Y80-L84 PolarHBondContact O-N 2.88Å; L81-L84 PolarHBondContact O-N 3.39Å; Y82-L84 PolarHBondContact O-N 3.34Å; L84-S88 WeakPolarHBondContact O-CB 3.49Å; L84-S88 PolarHBondContact O-N 2.88Å |
| 85 | I | 89.7 | Confident | 85.2 | Confident | 111 Ų | 111 | 91.5 Ų | 91.5 | 57% | 0.569 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 177 | -67 | 162.4 | 0 | 0 | 0 | 110.3 | L81 Y82 F89 | L81-I85 WeakPolarHBondContact O-CB 3.45Å; L81-I85 WeakPolarHBondContact O-CD1 3.34Å; L81-I85 WeakPolarHBondContact O-CG1 3.22Å; L81-I85 PolarHBondContact O-N 3.23Å; Y82-I85 PolarHBondContact O-N 3.49Å; I85-F89 VanDerWaalsContact O-CB 3.25Å; I85-F89 WeakPolarHBondContact O-CB 3.42Å; I85-F89 PolarHBondContact O-N 3.2Å |
| 86 | V | 92.3 | Very high | 86.4 | Confident | 88 Ų | 88 | 89.1 Ų | 89.1 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -45.6 | -179.1 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | Y82 I83 F89 Y90 | Y82-V86 WeakPolarHBondContact O-CB 3.45Å; Y82-V86 WeakPolarHBondContact O-CG2 3.37Å; Y82-V86 PolarHBondContact O-N 2.97Å; I83-V86 PolarHBondContact O-N 3.32Å; V86-F89 PolarHBondContact O-N 3.29Å; V86-Y90 WeakPolarHBondContact O-CB 3.19Å; V86-Y90 PolarHBondContact O-N 3.42Å |
| 87 | M | 90.2 | Very high | 87.5 | Confident | 111 Ų | 111 | 89 Ų | 89 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 177.7 | -68.7 | -60.6 | 101.9 | 0 | 0 | 111.7 | I83 Y90 G91 | I83-M87 HydrophobicContact CG2-CG 4.12Å; I83-M87 WeakPolarHBondContact O-CB 3.37Å; I83-M87 VanDerWaalsContact O-CG 3.22Å; I83-M87 WeakPolarHBondContact O-CG 3.15Å; I83-M87 PolarHBondContact O-N 3.43Å; M87-Y90 PolarHBondContact O-N 2.72Å; M87-G91 PolarHBondContact O-N 2.98Å |
| 88 | S | 92.4 | Very high | 88.1 | Confident | 71 Ų | 71 | 92.4 Ų | 92.4 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 176.3 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | L84 Y90 G91 V92 | L84-S88 WeakPolarHBondContact O-CB 3.49Å; L84-S88 PolarHBondContact O-N 2.88Å; S88-Y90 VanDerWaalsContact C-N 3.27Å; S88-Y90 PolarHBondContact O-N 3.29Å; S88-G91 PolarHBondContact O-N 2.91Å; S88-G91 VanDerWaalsContact O-N 3.13Å; S88-V92 WeakPolarHBondContact O-CG2 3.17Å; S88-V92 PolarHBondContact O-N 3.3Å |
| 89 | F | 92.9 | Very high | 88.2 | Confident | 147 Ų | 147 | 90.8 Ų | 90.8 | 65% | 0.645 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -58.4 | -42.7 | 176.5 | -179.8 | -101 | 0 | 0 | 0 | 111.2 | I85 V86 F93 | I85-F89 VanDerWaalsContact O-CB 3.25Å; I85-F89 WeakPolarHBondContact O-CB 3.42Å; I85-F89 PolarHBondContact O-N 3.2Å; V86-F89 PolarHBondContact O-N 3.29Å; F89-F93 WeakPolarHBondContact O-CB 3.45Å; F89-F93 PolarHBondContact O-N 2.71Å |
| 90 | Y | 92.6 | Very high | 88.3 | Confident | 136 Ų | 136 | 90.7 Ų | 90.7 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.2 | -176.6 | -107.6 | 0 | 0 | 0 | 112.2 | V86 M87 S88 F93 L94 | V86-Y90 WeakPolarHBondContact O-CB 3.19Å; V86-Y90 PolarHBondContact O-N 3.42Å; M87-Y90 PolarHBondContact O-N 2.72Å; S88-Y90 VanDerWaalsContact C-N 3.27Å; S88-Y90 PolarHBondContact O-N 3.29Å; Y90-F93 PolarHBondContact O-N 2.74Å; Y90-L94 HydrophobicContact CD1-CD1 3.81Å; Y90-L94 HydrophobicContact CD1-CG 4.42Å; Y90-L94 HydrophobicContact CD2-CD1 4.48Å; Y90-L94 HydrophobicContact CD2-CG 4.39Å; Y90-L94 HydrophobicContact CE1-CD1 3.26Å; Y90-L94 HydrophobicContact CE1-CG 4.16Å; Y90-L94 HydrophobicContact CE2-CD1 4Å; Y90-L94 HydrophobicContact CE2-CD2 4.35Å; Y90-L94 HydrophobicContact CE2-CG 4.11Å; Y90-L94 HydrophobicContact CG-CD1 4.39Å; Y90-L94 WeakPolarHBondContact O-CB 3.23Å; Y90-L94 VanDerWaalsContact O-CG 3.29Å; Y90-L94 WeakPolarHBondContact O-CG 3.38Å; Y90-L94 PolarHBondContact O-N 3.46Å |
| 91 | G | 91.5 | Very high | 88 | Confident | 37 Ų | 37 | 92.9 Ų | 92.9 | 38% | 0.381 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M87 S88 F93 C95 | M87-G91 PolarHBondContact O-N 2.98Å; S88-G91 PolarHBondContact O-N 2.91Å; S88-G91 VanDerWaalsContact O-N 3.13Å; G91-F93 VanDerWaalsContact C-N 3.35Å; G91-C95 WeakPolarHBondContact O-CB 3.38Å; G91-C95 PolarHBondContact O-N 3Å |
| 92 | V | 90.8 | Very high | 87.2 | Confident | 100 Ų | 100 | 92.1 Ų | 92.1 | 61% | 0.606 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.6 | -38 | 177.4 | 176.2 | 0 | 0 | 0 | 0 | 111 | S88 G96 | S88-V92 WeakPolarHBondContact O-CG2 3.17Å; S88-V92 PolarHBondContact O-N 3.3Å; V92-G96 WeakPolarHBondContact O-CA 3.48Å; V92-G96 PolarHBondContact O-N 3.22Å |
| 93 | F | 92.5 | Very high | 86.2 | Confident | 87 Ų | 87 | 92.1 Ų | 92.1 | 38% | 0.382 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -50.5 | 176.7 | 177.2 | -101.9 | 0 | 0 | 0 | 111.2 | F11 F89 Y90 G91 C95 G96 I97 | F11-F93 HydrophobicContact CZ-CD2 4.3Å; F11-F93 HydrophobicContact CZ-CE2 4.44Å; F89-F93 WeakPolarHBondContact O-CB 3.45Å; F89-F93 PolarHBondContact O-N 2.71Å; Y90-F93 PolarHBondContact O-N 2.74Å; G91-F93 VanDerWaalsContact C-N 3.35Å; F93-C95 PolarHBondContact O-N 3.22Å; F93-G96 PolarHBondContact O-N 3.39Å; F93-I97 HydrophobicContact CD1-CD1 4.43Å; F93-I97 HydrophobicContact CD2-CG2 4.36Å; F93-I97 HydrophobicContact CE1-CD1 4.02Å; F93-I97 HydrophobicContact CE1-CG2 4.25Å; F93-I97 HydrophobicContact CE2-CG2 3.96Å; F93-I97 HydrophobicContact CZ-CG2 3.9Å; F93-I97 WeakPolarHBondContact O-CG1 3.18Å; F93-I97 WeakPolarHBondContact O-CG2 3.16Å; F93-I97 PolarHBondContact O-N 2.98Å |
| 94 | L | 88.7 | Confident | 85.1 | Confident | 67 Ų | 67 | 92.4 Ų | 92.4 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 176 | -75.4 | -176.1 | 0 | 0 | 0 | 111.3 | Y90 G96 I97 M98 | Y90-L94 HydrophobicContact CD1-CD1 3.81Å; Y90-L94 HydrophobicContact CD1-CG 4.42Å; Y90-L94 HydrophobicContact CD2-CD1 4.48Å; Y90-L94 HydrophobicContact CD2-CG 4.39Å; Y90-L94 HydrophobicContact CE1-CD1 3.26Å; Y90-L94 HydrophobicContact CE1-CG 4.16Å; Y90-L94 HydrophobicContact CE2-CD1 4Å; Y90-L94 HydrophobicContact CE2-CD2 4.35Å; Y90-L94 HydrophobicContact CE2-CG 4.11Å; Y90-L94 HydrophobicContact CG-CD1 4.39Å; Y90-L94 WeakPolarHBondContact O-CB 3.23Å; Y90-L94 VanDerWaalsContact O-CG 3.29Å; Y90-L94 WeakPolarHBondContact O-CG 3.38Å; Y90-L94 PolarHBondContact O-N 3.46Å; L94-G96 VanDerWaalsContact C-N 3.32Å; L94-G96 PolarHBondContact O-N 3.44Å; L94-I97 HydrophobicContact CD2-CD1 4.04Å; L94-I97 WeakPolarHBondContact O-CG1 3.36Å; L94-I97 PolarHBondContact O-N 3.26Å; L94-M98 VanDerWaalsContact O-CB 3.24Å; L94-M98 WeakPolarHBondContact O-CB 3.25Å; L94-M98 PolarHBondContact O-N 3.37Å |
| 95 | C | 86.2 | Confident | 83.8 | Confident | 64 Ų | 64 | 94.7 Ų | 94.7 | 43% | 0.432 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 175.5 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | G91 F93 M98 L99 | G91-C95 WeakPolarHBondContact O-CB 3.38Å; G91-C95 PolarHBondContact O-N 3Å; F93-C95 PolarHBondContact O-N 3.22Å; C95-M98 PolarHBondContact O-N 3.47Å; C95-L99 WeakPolarHBondContact O-CB 3.32Å; C95-L99 WeakPolarHBondContact O-CD1 3.35Å; C95-L99 PolarHBondContact O-N 3.46Å |
| 96 | G | 87.3 | Confident | 82.5 | Confident | 31 Ų | 31 | 93.2 Ų | 93.2 | 32% | 0.32 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V92 F93 L94 G100 | V92-G96 WeakPolarHBondContact O-CA 3.48Å; V92-G96 PolarHBondContact O-N 3.22Å; F93-G96 PolarHBondContact O-N 3.39Å; L94-G96 VanDerWaalsContact C-N 3.32Å; L94-G96 PolarHBondContact O-N 3.44Å; G96-G100 WeakPolarHBondContact O-CA 3.32Å; G96-G100 PolarHBondContact O-N 3.34Å |
| 97 | I | 87.4 | Confident | 80.7 | Confident | 76 Ų | 76 | 98.3 Ų | 98.3 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.3 | -33.6 | 175.2 | 66.1 | 177.4 | 0 | 0 | 0 | 111.5 | F93 L94 G100 Y101 | F93-I97 HydrophobicContact CD1-CD1 4.43Å; F93-I97 HydrophobicContact CD2-CG2 4.36Å; F93-I97 HydrophobicContact CE1-CD1 4.02Å; F93-I97 HydrophobicContact CE1-CG2 4.25Å; F93-I97 HydrophobicContact CE2-CG2 3.96Å; F93-I97 HydrophobicContact CZ-CG2 3.9Å; F93-I97 WeakPolarHBondContact O-CG1 3.18Å; F93-I97 WeakPolarHBondContact O-CG2 3.16Å; F93-I97 PolarHBondContact O-N 2.98Å; L94-I97 HydrophobicContact CD2-CD1 4.04Å; L94-I97 WeakPolarHBondContact O-CG1 3.36Å; L94-I97 PolarHBondContact O-N 3.26Å; I97-G100 PolarHBondContact O-N 2.98Å; I97-Y101 WeakPolarHBondContact O-CB 3.44Å; I97-Y101 PolarHBondContact O-N 3.34Å |
| 98 | M | 82.3 | Confident | 79 | Confident | 105 Ų | 105 | 102 Ų | 102 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.9 | -49.5 | 176.3 | -142.9 | -173.1 | 68 | 0 | 0 | 110.2 | L94 C95 G100 Y101 F102 | L94-M98 VanDerWaalsContact O-CB 3.24Å; L94-M98 WeakPolarHBondContact O-CB 3.25Å; L94-M98 PolarHBondContact O-N 3.37Å; C95-M98 PolarHBondContact O-N 3.47Å; M98-G100 VanDerWaalsContact C-N 3.34Å; M98-G100 PolarHBondContact O-N 3.21Å; M98-Y101 PolarHBondContact O-N 3Å; M98-F102 HydrophobicContact CE-CD2 4.4Å; M98-F102 HydrophobicContact CE-CE2 3.93Å; M98-F102 HydrophobicContact CG-CD2 4.07Å; M98-F102 HydrophobicContact CG-CE2 3.7Å; M98-F102 WeakPolarHBondContact O-CB 2.88Å; M98-F102 WeakPolarHBondContact O-CD2 3.37Å; M98-F102 PolarHBondContact O-N 2.88Å; M98-F102 HydrophobicContact SD-CE2 4.21Å |
| 99 | L | 79.3 | Confident | 77.2 | Confident | 87 Ų | 87 | 107.8 Ų | 107.8 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -35.7 | 175 | -87.6 | 68.1 | 0 | 0 | 0 | 111.4 | C95 R103 | C95-L99 WeakPolarHBondContact O-CB 3.32Å; C95-L99 WeakPolarHBondContact O-CD1 3.35Å; C95-L99 PolarHBondContact O-N 3.46Å; L99-R103 WeakPolarHBondContact O-CB 2.98Å; L99-R103 WeakPolarHBondContact O-CG 3.32Å; L99-R103 PolarHBondContact O-N 3.17Å |
| 100 | G | 85.4 | Confident | 75.3 | Confident | 37 Ų | 37 | 111.8 Ų | 111.8 | 38% | 0.381 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G96 I97 M98 R103 S104 | G96-G100 WeakPolarHBondContact O-CA 3.32Å; G96-G100 PolarHBondContact O-N 3.34Å; I97-G100 PolarHBondContact O-N 2.98Å; M98-G100 VanDerWaalsContact C-N 3.34Å; M98-G100 PolarHBondContact O-N 3.21Å; G100-R103 PolarHBondContact O-N 3.39Å; G100-S104 WeakPolarHBondContact O-CB 3.06Å; G100-S104 PolarHBondContact O-N 2.8Å |
| 101 | Y | 76.5 | Confident | 73.4 | Confident | 132 Ų | 132 | 113.1 Ų | 113.1 | 52% | 0.518 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.9 | -47.9 | 174.9 | 175.5 | -106.2 | 0 | 0 | 0 | 111.6 | I97 M98 R103 S104 K105 | I97-Y101 WeakPolarHBondContact O-CB 3.44Å; I97-Y101 PolarHBondContact O-N 3.34Å; M98-Y101 PolarHBondContact O-N 3Å; Y101-R103 PolarHBondContact O-N 3.39Å; Y101-S104 PolarHBondContact O-N 2.63Å; Y101-K105 HydrophobicContact CE1-CD 4.29Å; Y101-K105 HydrophobicContact CE2-CD 4.27Å; Y101-K105 VanDerWaalsContact O-CB 3.28Å; Y101-K105 WeakPolarHBondContact O-CB 3.22Å; Y101-K105 PolarHBondContact O-N 3.25Å; Y101-K105 PolarHBondContact OH-NZ 2.76Å |
| 102 | F | 69.8 | Low | 71.7 | Confident | 81 Ų | 81 | 117.3 Ų | 117.3 | 36% | 0.355 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -40 | 176.6 | -78.1 | -64 | 0 | 0 | 0 | 112.1 | M98 R106 | M98-F102 HydrophobicContact CE-CD2 4.4Å; M98-F102 HydrophobicContact CE-CE2 3.93Å; M98-F102 HydrophobicContact CG-CD2 4.07Å; M98-F102 HydrophobicContact CG-CE2 3.7Å; M98-F102 WeakPolarHBondContact O-CB 2.88Å; M98-F102 WeakPolarHBondContact O-CD2 3.37Å; M98-F102 PolarHBondContact O-N 2.88Å; M98-F102 HydrophobicContact SD-CE2 4.21Å; F102-R106 WeakPolarHBondContact O-CB 3.05Å; F102-R106 PolarHBondContact O-N 2.73Å |
| 103 | R | 67.5 | Low | 69.8 | Low | 167 Ų | 167 | 118.9 Ų | 118.9 | 63% | 0.63 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.4 | -35.2 | 177.1 | -73.3 | 176.7 | 77.3 | 169.1 | 4.3 | 112.1 | L99 G100 Y101 | L99-R103 WeakPolarHBondContact O-CB 2.98Å; L99-R103 WeakPolarHBondContact O-CG 3.32Å; L99-R103 PolarHBondContact O-N 3.17Å; G100-R103 PolarHBondContact O-N 3.39Å; Y101-R103 PolarHBondContact O-N 3.39Å |
| 104 | S | 64.7 | Low | 68.1 | Low | 98 Ų | 98 | 117.8 Ų | 117.8 | 69% | 0.685 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.8 | -39.5 | 177.7 | -164.5 | 0 | 0 | 0 | 0 | 111.5 | G100 Y101 | G100-S104 WeakPolarHBondContact O-CB 3.06Å; G100-S104 PolarHBondContact O-N 2.8Å; Y101-S104 PolarHBondContact O-N 2.63Å |
| 105 | K | 60.7 | Low | 66.6 | Low | 155 Ų | 155 | 119.1 Ų | 119.1 | 67% | 0.674 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -81.4 | -11.7 | 177 | -151.9 | 175.9 | -172.2 | 178.8 | 0 | 113.8 | Y101 | Y101-K105 HydrophobicContact CE1-CD 4.29Å; Y101-K105 HydrophobicContact CE2-CD 4.27Å; Y101-K105 VanDerWaalsContact O-CB 3.28Å; Y101-K105 WeakPolarHBondContact O-CB 3.22Å; Y101-K105 PolarHBondContact O-N 3.25Å; Y101-K105 PolarHBondContact OH-NZ 2.76Å |
| 106 | R | 60.8 | Low | 65.2 | Low | 80 Ų | 80 | 121 Ų | 121 | 30% | 0.302 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110 | 35 | -178.4 | -162 | -166.3 | -154.1 | 132.9 | 7.8 | 113 | F102 R111 | F102-R106 WeakPolarHBondContact O-CB 3.05Å; F102-R106 PolarHBondContact O-N 2.73Å; R106-R111 PolarHBondContact NH2-O 3.42Å |
| 107 | K | 55.6 | Low | 63.6 | Low | 195 Ų | 195 | 128 Ų | 128 | 85% | 0.848 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -95 | -2.1 | 175.9 | -116.9 | -174.6 | -180 | -178.7 | 0 | 115.8 | ||
| 108 | E | 55.2 | Low | 62.1 | Low | 190 Ų | 190 | 129.1 Ų | 129.1 | 89% | 0.888 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -109.2 | -25.6 | -178.3 | -167.2 | 156.3 | 177.4 | 0 | 0 | 116.3 | ||
| 109 | K | 52.9 | Low | 60.9 | Low | 191 Ų | 191 | 127.6 Ų | 127.6 | 83% | 0.83 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -144 | 108.7 | -179.4 | -140.5 | 157.4 | -179 | 171.4 | 0 | 111.9 | ||
| 110 | R | 52.8 | Low | 59.4 | Low | 232 Ų | 232 | 128.9 Ų | 128.9 | 88% | 0.875 | 60% | 0.595 | S | S | * | * | trans | -4.5 | 145.3 | 171.8 | -68.8 | -177.6 | -179.5 | 172.5 | 0.2 | 117.7 | ||||
| 111 | R | 53.9 | Low | 57.9 | Low | 163 Ų | 163 | 133.4 Ų | 133.4 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | trans | 119.2 | 69.1 | 141.8 | -59 | -143.5 | -92.1 | -168.1 | 3.5 | 116 | R106 N113 I114 | R106-R111 PolarHBondContact NH2-O 3.42Å; R111-N113 PolarHBondContact O-N 2.78Å; R111-I114 HydrophobicContact CB-CD1 3.59Å; R111-I114 HydrophobicContact CB-CG1 3.9Å; R111-I114 HydrophobicContact CG-CD1 4.19Å; R111-I114 PolarHBondContact O-N 3.38Å | ||
| 112 | I | 56 | Low | 56.7 | Low | 125 Ų | 125 | 133.2 Ų | 133.2 | 64% | 0.641 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -22.4 | 163.4 | -51.6 | 152.9 | 0 | 0 | 0 | 110.6 | I114 F115 | I112-I114 PolarHBondContact O-N 2.9Å; I112-I114 VanDerWaalsContact O-N 3.14Å; I112-F115 PolarHBondContact O-N 2.87Å |
| 113 | N | 51.2 | Low | 55.8 | Low | 134 Ų | 134 | 135.2 Ų | 135.2 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.6 | -10.5 | 174.1 | -161.1 | -92.4 | 0 | 0 | 0 | 114.7 | R111 | R111-N113 PolarHBondContact O-N 2.78Å |
| 114 | I | 57 | Low | 54.8 | Low | 64 Ų | 64 | 134.2 Ų | 134.2 | 33% | 0.328 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -84.7 | -30.6 | 174 | -70.3 | 168.5 | 0 | 0 | 0 | 112.1 | R111 I112 R117 L118 | R111-I114 HydrophobicContact CB-CD1 3.59Å; R111-I114 HydrophobicContact CB-CG1 3.9Å; R111-I114 HydrophobicContact CG-CD1 4.19Å; R111-I114 PolarHBondContact O-N 3.38Å; I112-I114 PolarHBondContact O-N 2.9Å; I112-I114 VanDerWaalsContact O-N 3.14Å; I114-R117 CarbonylContact O-C 3.51Å; I114-R117 WeakPolarHBondContact O-CB 3.48Å; I114-R117 PolarHBondContact O-N 3.46Å; I114-R117 VanDerWaalsContact O-N 3.17Å; I114-L118 HydrophobicContact CG2-CD1 4.21Å; I114-L118 PolarHBondContact O-N 2.84Å |
| 115 | F | 56.8 | Low | 54.2 | Low | 95 Ų | 95 | 139.9 Ų | 139.9 | 42% | 0.417 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74.8 | -37 | -174.6 | -137.6 | -91.6 | 0 | 0 | 0 | 111.2 | I112 R117 L118 V119 | I112-F115 PolarHBondContact O-N 2.87Å; F115-R117 VanDerWaalsContact C-N 3.27Å; F115-R117 PolarHBondContact O-N 3.31Å; F115-L118 PolarHBondContact O-N 3.4Å; F115-V119 HydrophobicContact CD1-CG2 4.13Å; F115-V119 HydrophobicContact CE1-CG2 4.41Å; F115-V119 WeakPolarHBondContact O-CB 3.31Å; F115-V119 VanDerWaalsContact O-CG2 3.31Å; F115-V119 WeakPolarHBondContact O-CG2 3.37Å; F115-V119 PolarHBondContact O-N 2.97Å |
| 116 | T | 55.3 | Low | 53.5 | Low | 103 Ų | 103 | 140.4 Ų | 140.4 | 63% | 0.632 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65 | -31.6 | 168.1 | -43.3 | 0 | 0 | 0 | 0 | 111.8 | H120 | T116-H120 WeakPolarHBondContact O-CB 3.11Å; T116-H120 PolarHBondContact O-N 2.62Å |
| 117 | R | 54.3 | Low | 52.5 | Low | 179 Ų | 179 | 146.8 Ų | 146.8 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -74.3 | -29.7 | 173.8 | -175.4 | -179.6 | 157.9 | 154.5 | -0.8 | 113 | I114 F115 E121 | I114-R117 CarbonylContact O-C 3.51Å; I114-R117 WeakPolarHBondContact O-CB 3.48Å; I114-R117 PolarHBondContact O-N 3.46Å; I114-R117 VanDerWaalsContact O-N 3.17Å; F115-R117 VanDerWaalsContact C-N 3.27Å; F115-R117 PolarHBondContact O-N 3.31Å; R117-E121 PolarHBondContact O-N 3.32Å |
| 118 | L | 55.4 | Low | 52.3 | Low | 98 Ų | 98 | 140.2 Ų | 140.2 | 51% | 0.513 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -80.8 | -41.5 | 177.5 | -124.6 | 77.7 | 0 | 0 | 0 | 112 | I114 F115 H120 E121 E122 | I114-L118 HydrophobicContact CG2-CD1 4.21Å; I114-L118 PolarHBondContact O-N 2.84Å; F115-L118 PolarHBondContact O-N 3.4Å; L118-H120 VanDerWaalsContact C-N 3.3Å; L118-E121 WeakPolarHBondContact O-CB 3.42Å; L118-E121 PolarHBondContact O-N 3.32Å; L118-E122 PolarHBondContact O-N 2.73Å |
| 119 | V | 57.2 | Low | 52 | Low | 73 Ų | 73 | 135.9 Ų | 135.9 | 44% | 0.442 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.3 | -37 | 172.9 | 173 | 0 | 0 | 0 | 0 | 110.4 | F115 E121 E122 E123 | F115-V119 HydrophobicContact CD1-CG2 4.13Å; F115-V119 HydrophobicContact CE1-CG2 4.41Å; F115-V119 WeakPolarHBondContact O-CB 3.31Å; F115-V119 VanDerWaalsContact O-CG2 3.31Å; F115-V119 WeakPolarHBondContact O-CG2 3.37Å; F115-V119 PolarHBondContact O-N 2.97Å; V119-E121 VanDerWaalsContact C-N 3.28Å; V119-E121 PolarHBondContact O-N 3.34Å; V119-E122 PolarHBondContact O-N 3.34Å; V119-E123 PolarHBondContact O-N 2.91Å |
| 120 | H | 49.4 | Very low | 51.6 | Low | 115 Ų | 115 | 134.8 Ų | 134.8 | 53% | 0.532 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.3 | -28.9 | 170.9 | -172.4 | -5.8 | 0 | 0 | 0 | 112.5 | T116 L118 Q124 | T116-H120 WeakPolarHBondContact O-CB 3.11Å; T116-H120 PolarHBondContact O-N 2.62Å; L118-H120 VanDerWaalsContact C-N 3.3Å; H120-Q124 PolarHBondContact O-N 3.5Å |
| 121 | E | 53 | Low | 51.6 | Low | 132 Ų | 132 | 128.9 Ų | 128.9 | 62% | 0.617 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74.8 | -29.9 | 175 | -147.8 | -153.2 | -176.7 | 0 | 0 | 112.7 | R117 L118 V119 R125 | R117-E121 PolarHBondContact O-N 3.32Å; L118-E121 WeakPolarHBondContact O-CB 3.42Å; L118-E121 PolarHBondContact O-N 3.32Å; V119-E121 VanDerWaalsContact C-N 3.28Å; V119-E121 PolarHBondContact O-N 3.34Å; E121-R125 PolarHBondContact O-N 3.37Å |
| 122 | E | 52.1 | Low | 51 | Low | 127 Ų | 127 | 129.2 Ų | 129.2 | 59% | 0.593 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.1 | -43 | 174.7 | -169.9 | 175.3 | -153.3 | 0 | 0 | 111.3 | L118 V119 Q124 R125 E126 | L118-E122 PolarHBondContact O-N 2.73Å; V119-E122 PolarHBondContact O-N 3.34Å; E122-Q124 VanDerWaalsContact C-N 3.32Å; E122-Q124 PolarHBondContact O-N 3.03Å; E122-R125 WeakPolarHBondContact O-CB 3.37Å; E122-R125 PolarHBondContact O-N 2.98Å; E122-E126 PolarHBondContact O-N 3.04Å |
| 123 | E | 51 | Low | 50.5 | Low | 124 Ų | 124 | 130.9 Ų | 130.9 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66 | -31.4 | 176.1 | -163.1 | -175 | 140.2 | 0 | 0 | 112.7 | V119 R125 | V119-E123 PolarHBondContact O-N 2.91Å; E123-R125 PolarHBondContact O-N 3.47Å |
| 124 | Q | 45.1 | Very low | 50.2 | Low | 145 Ų | 145 | 133 Ų | 133 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.6 | -18.6 | 172.3 | -82.3 | -89 | -49.2 | 0 | 0 | 113.1 | H120 E122 | H120-Q124 PolarHBondContact O-N 3.5Å; E122-Q124 VanDerWaalsContact C-N 3.32Å; E122-Q124 PolarHBondContact O-N 3.03Å |
| 125 | R | 53.4 | Low | 49.2 | Very low | 218 Ų | 218 | 135.4 Ų | 135.4 | 82% | 0.823 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -91.6 | -26.7 | -174.1 | -130.8 | -179.7 | -179.8 | -172.8 | -0.4 | 113.3 | E121 E122 E123 | E121-R125 PolarHBondContact O-N 3.37Å; E122-R125 WeakPolarHBondContact O-CB 3.37Å; E122-R125 PolarHBondContact O-N 2.98Å; E123-R125 PolarHBondContact O-N 3.47Å |
| 126 | E | 45.8 | Very low | 48.4 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 77% | 0.771 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -86.3 | -16.6 | 178.1 | -72.4 | -176 | 135.2 | 0 | 0 | 113.5 | E122 | E122-E126 PolarHBondContact O-N 3.04Å |
| 127 | W | 40.1 | Very low | 47.7 | Very low | 214 Ų | 214 | 136 Ų | 136 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 19 | 178.3 | -74 | 109.1 | 0 | 0 | 0 | 116.5 | ||
| 128 | G | 50.8 | Low | 46.8 | Very low | 57 Ų | 57 | 136 Ų | 136 | 59% | 0.588 | 70% | 0.701 | S | S | * | * | trans | 69.7 | 124 | 156 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 129 | A | 49.4 | Very low | 46.3 | Very low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | 62.6 | 83.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 130 | L | 44.3 | Very low | 45.2 | Very low | 168 Ų | 168 | 138 Ų | 138 | 88% | 0.88 | 73% | 0.73 | S | S | * | * | -148.4 | 111.9 | 128.9 | -162.4 | 69.2 | 0 | 0 | 0 | 110.7 | |||||
| 131 | P | 51.7 | Low | 44.7 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -76.2 | 163.6 | 169.9 | 33.6 | -30.7 | 0 | 0 | 0 | 109 | ||||
| 132 | K | 41.5 | Very low | 44 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | 98.4 | 105.2 | 144 | -148.3 | 58 | 172.2 | -161.9 | 0 | 115.5 | ||||
| 133 | K | 45.1 | Very low | 43.1 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | trans | 104.5 | 118.3 | 135.1 | -69.5 | 165.3 | -179.2 | -174.5 | 0 | 117.6 | ||||
| 134 | H | 45 | Very low | 42.5 | Very low | 179 Ų | 179 | 136.1 Ų | 136.1 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | 45.1 | 98.2 | 138.6 | -66 | -87.7 | 0 | 0 | 0 | 116.7 | ||||
| 135 | S | 37.3 | Very low | 42.1 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | 171.4 | 94.4 | 121.8 | 44.2 | 0 | 0 | 0 | 0 | 109.8 | P137 | S135-P137 WeakPolarHBondContact O-CD 3.2Š| |||
| 136 | A | 39.3 | Very low | 41.4 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -97.6 | 106.5 | 147.2 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 137 | P | 41.6 | Very low | 40.9 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -91.9 | 95.6 | 159.9 | 26.4 | -12.9 | 0 | 0 | 0 | 107.1 | S135 | S135-P137 WeakPolarHBondContact O-CD 3.2Š| ||
| 138 | F | 34.6 | Very low | 41 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -77.3 | 135.4 | 153.3 | -95.5 | -81 | 0 | 0 | 0 | 107.9 | A140 | F138-A140 PolarHBondContact O-N 2.84Š| ||
| 139 | P | 44 | Very low | 40.1 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -82.9 | 120.5 | -168.9 | 33 | -30.3 | 0 | 0 | 0 | 109.5 | ||||
| 140 | A | 35.2 | Very low | 39.5 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -138.7 | 94.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | F138 | F138-A140 PolarHBondContact O-N 2.84Š| ||
| 141 | T | 37.9 | Very low | 38.9 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -31 | 134.7 | 162.3 | 20.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 142 | V | 39 | Very low | 38.6 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | 78.3 | 99.4 | 152.2 | -173.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 143 | S | 33.3 | Very low | 38.9 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | -175.3 | 124.9 | 110.1 | -165.2 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 144 | G | 38.3 | Very low | 38.6 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | -85.7 | 175.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 145 | L | 36.5 | Very low | 38.3 | Very low | 166 Ų | 166 | 136.6 Ų | 136.6 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | 105.6 | 109.5 | 155.8 | -61.8 | 169.7 | 0 | 0 | 0 | 118.2 | ||||
| 146 | R | 38.4 | Very low | 38.3 | Very low | 227 Ų | 227 | 134.5 Ų | 134.5 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | 82.9 | 100.8 | 137.9 | -54.7 | -101.2 | -90 | 172.4 | -5 | 116.1 | ||||
| 147 | A | 35 | Very low | 38 | Very low | 88 Ų | 88 | 137.9 Ų | 137.9 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | 67.8 | 104 | 82.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 148 | M | 42.1 | Very low | 38 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 93% | 0.931 | 81% | 0.813 | S | S | * | * | trans | 43.2 | 89.5 | 136.6 | -147.5 | 167 | -172.3 | 0 | 0 | 117.9 | ||||
| 149 | Q | 33.5 | Very low | 38 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -147.1 | 115.5 | 147.2 | -79.1 | -162.4 | 12.5 | 0 | 0 | 106.1 | ||||
| 150 | V | 35.4 | Very low | 37.7 | Very low | 121 Ų | 121 | 136 Ų | 136 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | 59 | 114.4 | 76.3 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 151 | S | 31.5 | Very low | 37.8 | Very low | 106 Ų | 106 | 139.7 Ų | 139.7 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | 87 | 127.8 | 155.8 | -59.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 152 | L | 45.4 | Very low | 37.9 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -47.1 | 157.1 | 165.6 | -72.7 | 75.8 | 0 | 0 | 0 | 112.9 | ||||
| 153 | P | 48.4 | Very low | 37.8 | Very low | 129 Ų | 129 | 136 Ų | 136 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -133.3 | 106.3 | 142.2 | 33.7 | -17 | 0 | 0 | 0 | 111.1 | ||||
| 154 | F | 38.8 | Very low | 38 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | trans | -122.1 | 118.9 | 143.2 | -164.8 | -99.5 | 0 | 0 | 0 | 107.8 | ||||
| 155 | C | 38.3 | Very low | 38 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -94.7 | 138.4 | -176 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 156 | G | 38.4 | Very low | 38 | Very low | 71 Ų | 71 | 138.9 Ų | 138.9 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | trans | 166.6 | 100.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 157 | N | 32.8 | Very low | 37.7 | Very low | 163 Ų | 163 | 135 Ų | 135 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -49.6 | 139.9 | 174.1 | -86.1 | -51.2 | 0 | 0 | 0 | 114.5 | ||||
| 158 | H | 40.5 | Very low | 37.7 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | 162.4 | 117.2 | 104.4 | -154.3 | -94.3 | 0 | 0 | 0 | 112.6 | |||||
| 159 | G | 35 | Very low | 37.6 | Very low | 45 Ų | 45 | 132.7 Ų | 132.7 | 46% | 0.464 | 77% | 0.768 | S | S | . | * | trans | 48.1 | 106.7 | 145 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 160 | N | 37.7 | Very low | 37.7 | Very low | 147 Ų | 147 | 134 Ų | 134 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | 61.4 | 142.2 | 144.4 | -47.9 | -15.7 | 0 | 0 | 0 | 114 | ||||
| 161 | H | 38.4 | Very low | 38 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | -171.2 | 139 | 60.7 | -14 | -85.1 | 0 | 0 | 0 | 107.7 | |||||
| 162 | S | 39.1 | Very low | 39 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 7.6 | 138 | 153.3 | 57.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 163 | G | 36 | Very low | 38.4 | Very low | 71 Ų | 71 | 133.7 Ų | 133.7 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | 138.7 | 87.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 164 | A | 38.3 | Very low | 38.3 | Very low | 86 Ų | 86 | 132.5 Ų | 132.5 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | 86.4 | 121.8 | 84.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 165 | L | 38.9 | Very low | 38.8 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | 64.2 | 142.2 | 146.8 | -67 | 161 | 0 | 0 | 0 | 117.4 | ||||
| 166 | R | 36.5 | Very low | 39 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 64% | 0.642 | 77% | 0.767 | S | S | * | * | cis | 172.1 | 151.7 | -20 | -120.1 | -158 | 74.7 | 104 | -6.2 | 104.2 | ||||
| 167 | H | 31.7 | Very low | 39.2 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 67% | 0.667 | 76% | 0.763 | S | S | * | * | trans | 64.4 | 147.8 | 153.1 | -110.2 | 5.6 | 0 | 0 | 0 | 116.4 | ||||
| 168 | E | 35.8 | Very low | 40 | Very low | 159 Ų | 159 | 128.6 Ų | 128.6 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | cis | -157.2 | 146.3 | 21.8 | -165.3 | -179.2 | 169.7 | 0 | 0 | 107.3 | ||||
| 169 | G | 38.4 | Very low | 40.4 | Very low | 70 Ų | 70 | 127.6 Ų | 127.6 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -86.3 | 125.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 170 | F | 36.5 | Very low | 41.1 | Very low | 208 Ų | 208 | 130.8 Ų | 130.8 | 91% | 0.912 | 78% | 0.776 | S | S | * | * | trans | -156.1 | 128.9 | 147 | -157.5 | -102.5 | 0 | 0 | 0 | 108.2 | ||||
| 171 | L | 41.4 | Very low | 41.7 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | trans | -76.7 | -166 | -176.6 | -63.4 | 163.7 | 0 | 0 | 0 | 110.7 | ||||
| 172 | P | 52 | Low | 42.2 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | -129.5 | 151.1 | -90.7 | 38 | -20 | 0 | 0 | 0 | 113 | |||||
| 173 | S | 32.3 | Very low | 42.5 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -173.9 | 159.1 | 161.7 | -109.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 174 | P | 47.3 | Very low | 42.7 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | -123.2 | 176.1 | -121.6 | 35 | -15.1 | 0 | 0 | 0 | 113.1 | |||||
| 175 | L | 48.5 | Very low | 42.9 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | 69.9 | 86.6 | 164.9 | -55.2 | 170.4 | 0 | 0 | 0 | 116.7 | ||||
| 176 | A | 43.6 | Very low | 43.2 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -151 | 102.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 177 | C | 41.5 | Very low | 43.4 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | trans | 28.4 | 93.7 | 155.1 | -157.8 | 0 | 0 | 0 | 0 | 118.8 | L179 C180 | C177-L179 VanDerWaalsContact C-N 3.33Å; C177-L179 PolarHBondContact O-N 2.75Å; C177-C180 VanDerWaalsContact SG-SG 3.61Å | ||
| 178 | A | 49.8 | Very low | 44.1 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 25.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 179 | L | 48.5 | Very low | 44.8 | Very low | 166 Ų | 166 | 130.7 Ų | 130.7 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130 | 26.7 | 177.1 | -69.6 | -178.9 | 0 | 0 | 0 | 114 | C177 | C177-L179 VanDerWaalsContact C-N 3.33Å; C177-L179 PolarHBondContact O-N 2.75Å |
| 180 | C | 49.8 | Very low | 44.6 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 75% | 0.75 | 81% | 0.813 | S | S | * | * | trans | -129.7 | 49.1 | 173.8 | -68.4 | 0 | 0 | 0 | 0 | 112.8 | C177 | C177-C180 VanDerWaalsContact SG-SG 3.61Š| ||
| 181 | A | 50.3 | Low | 44.7 | Very low | 94 Ų | 94 | 128.9 Ų | 128.9 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | -131.3 | 93.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 182 | E | 48.8 | Very low | 44.9 | Very low | 188 Ų | 188 | 127.1 Ų | 127.1 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 173.6 | 127.2 | 140.3 | -78 | -122.5 | 147.8 | 0 | 0 | 108.8 | ||
| 183 | Q | 45.6 | Very low | 44.3 | Very low | 196 Ų | 196 | 125.7 Ų | 125.7 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | 82.7 | 134.8 | -178.4 | -53.8 | -162 | 9.2 | 0 | 0 | 116.8 | ||||
| 184 | S | 40.8 | Very low | 44.5 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | cis | -171.3 | 131.8 | -14 | -174.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 185 | S | 43.6 | Very low | 44.4 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | 49.1 | 112.5 | 137.7 | -45.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 186 | V | 45.1 | Very low | 44.2 | Very low | 140 Ų | 140 | 128.3 Ų | 128.3 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -6.4 | 144.1 | 147.8 | -110.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 187 | S | 40.7 | Very low | 44.2 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 115.1 | 135.9 | 152.7 | -50.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 188 | S | 46.7 | Very low | 44.2 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | cis | -167 | 164.4 | 6.9 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 189 | L | 49.7 | Very low | 44.3 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | -63.8 | 145 | -176.3 | -60.5 | 154.9 | 0 | 0 | 0 | 116.7 | ||||
| 190 | C | 33.1 | Very low | 44.3 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 86% | 0.858 | 79% | 0.794 | S | S | * | * | trans | 153.8 | 107.7 | 142.3 | -87.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 191 | S | 40.1 | Very low | 44.4 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | 82.4 | 125.1 | 82.6 | -167.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 192 | S | 44.7 | Very low | 44.5 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | 76.7 | 132.3 | 153.9 | -172.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 193 | A | 38.9 | Very low | 44.4 | Very low | 83 Ų | 83 | 143.4 Ų | 143.4 | 69% | 0.686 | 81% | 0.805 | S | S | * | * | cis | -167.2 | 158.5 | -0.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 194 | D | 37.3 | Very low | 44.2 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | trans | 59.4 | 111 | 142.1 | -148.7 | 50.2 | 0 | 0 | 0 | 119.4 | R196 | D194-R196 IonicContact OD1-NE 3.46Å; D194-R196 PolarHBondContact OD1-NE 2.73Å | ||
| 195 | T | 45.1 | Very low | 44 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | -157.3 | 118.1 | 103.7 | 45.4 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 196 | R | 44.1 | Very low | 43.7 | Very low | 201 Ų | 201 | 141.7 Ų | 141.7 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | -51.1 | 134.6 | 168.7 | -57.4 | 152.7 | -174.6 | -98.4 | -0.3 | 110.8 | D194 | D194-R196 IonicContact OD1-NE 3.46Å; D194-R196 PolarHBondContact OD1-NE 2.73Å | ||
| 197 | L | 44.3 | Very low | 43.3 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | -143.3 | 106.8 | 129.4 | -101.3 | 172.1 | 0 | 0 | 0 | 107.7 | |||||
| 198 | T | 42.1 | Very low | 42.9 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 73% | 0.73 | 80% | 0.803 | S | S | * | * | trans | -60 | 136.8 | -176.6 | -40 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 199 | I | 51.3 | Low | 42.4 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | trans | -64.9 | 125.1 | 158.9 | -65.4 | 157.1 | 0 | 0 | 0 | 107.1 | E201 | I199-E201 HydrophobicContact CG2-CG 4.09Š| ||
| 200 | E | 47.9 | Very low | 41.8 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -117.9 | 95.8 | 150 | -82.7 | -173.8 | 132.2 | 0 | 0 | 107.1 | ||||
| 201 | E | 52.5 | Low | 41.8 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -65.2 | 113.9 | 144.1 | -71.7 | 176.9 | 119.3 | 0 | 0 | 105.8 | I199 | I199-E201 HydrophobicContact CG2-CG 4.09Š| ||
| 202 | E | 53 | Low | 42.3 | Very low | 189 Ų | 189 | 139 Ų | 139 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -104.5 | 95.4 | 171.7 | -158.2 | -175.1 | 159.5 | 0 | 0 | 107.9 | ||||
| 203 | E | 45.6 | Very low | 41.8 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -136.1 | 100.7 | 160 | -158.2 | 179.3 | -154.3 | 0 | 0 | 107.8 | ||||
| 204 | A | 42.1 | Very low | 41.4 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | 152.7 | 132.2 | 135.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 205 | D | 36.5 | Very low | 41.3 | Very low | 154 Ų | 154 | 142.6 Ų | 142.6 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | 90.4 | 97.3 | 144.3 | -157.8 | 28.8 | 0 | 0 | 0 | 119.8 | ||||
| 206 | S | 38.2 | Very low | 40.9 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | 169.8 | 127.2 | 109.9 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 207 | G | 36.8 | Very low | 40.5 | Very low | 77 Ų | 77 | 143.5 Ų | 143.5 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 124.7 | 91.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 208 | A | 32.3 | Very low | 39.9 | Very low | 94 Ų | 94 | 140 Ų | 140 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | 69.3 | 101.1 | 137.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 209 | V | 36 | Very low | 39.7 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | 66.5 | 110 | 120.6 | 176.7 | 0 | 0 | 0 | 0 | 119 | |||||
| 210 | E | 37 | Very low | 39.4 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 61.4 | 144.6 | 140.8 | -61.6 | -179.9 | 168.7 | 0 | 0 | 118 | ||||
| 211 | E | 33.3 | Very low | 39.1 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 66% | 0.659 | 80% | 0.795 | S | S | * | * | cis | -170.4 | 153.9 | -0.2 | 171.2 | -173.2 | 131.3 | 0 | 0 | 103.9 | ||||
| 212 | P | 48.6 | Very low | 38.6 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -94.9 | 110.7 | 179.9 | 33.7 | -26.2 | 0 | 0 | 0 | 112.2 | ||||
| 213 | E | 35.2 | Very low | 37.9 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -154 | 144.5 | 166 | -86 | -149.4 | 116.8 | 0 | 0 | 116 | ||||
| 214 | A | 31.6 | Very low | 38.1 | Very low | 84 Ų | 84 | 129.4 Ų | 129.4 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | 69.5 | 110.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 215 | N | 34.3 | Very low | 38.2 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | 21.8 | 117.4 | 110.8 | -159.3 | -35.2 | 0 | 0 | 0 | 117.1 | |||||
| 216 | L | 36.2 | Very low | 38.9 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | 162.3 | 109.1 | 124.6 | -84 | 168.3 | 0 | 0 | 0 | 112 | |||||
| 217 | K | 35.2 | Very low | 39.9 | Very low | 204 Ų | 204 | 130.5 Ų | 130.5 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | 31.8 | 104.4 | 127 | -155.3 | -172.9 | -170.9 | -161.7 | 0 | 119 | |||||
| 218 | A | 33.4 | Very low | 41.1 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | 171.7 | 141.3 | 142.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 219 | A | 37.3 | Very low | 41.6 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 69% | 0.686 | 83% | 0.826 | S | S | * | * | cis | -159.8 | 151.4 | 26.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 220 | Q | 43.8 | Very low | 41.9 | Very low | 183 Ų | 183 | 136.2 Ų | 136.2 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | 58.1 | 90.6 | 143.9 | -67.8 | -178.8 | -59.7 | 0 | 0 | 119.1 | ||||
| 221 | A | 42.8 | Very low | 42.2 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | trans | -93.6 | 108.1 | 138.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | S223 | A221-S223 PolarHBondContact O-N 3.12Š| ||
| 222 | E | 41.3 | Very low | 42.7 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 87% | 0.869 | 84% | 0.84 | S | S | * | * | trans | -30.1 | 118.1 | 162.6 | 44.6 | -128.1 | 66.7 | 0 | 0 | 114.8 | ||||
| 223 | S | 39.2 | Very low | 42.3 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 84% | 0.844 | S | S | * | * | trans | -95.4 | 122.7 | 169.6 | 172.3 | 0 | 0 | 0 | 0 | 109.3 | A221 | A221-S223 PolarHBondContact O-N 3.12Š| ||
| 224 | S | 49.9 | Very low | 42.8 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 85% | 0.848 | S | S | * | * | trans | -43.6 | 155.1 | 164.8 | 53.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 225 | G | 44.2 | Very low | 43.5 | Very low | 60 Ų | 60 | 135.5 Ų | 135.5 | 62% | 0.619 | 86% | 0.858 | S | S | * | * | trans | 117.3 | 71.2 | 141.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | D227 | G225-D227 PolarHBondContact O-N 2.82Š| ||
| 226 | D | 49.8 | Very low | 44.2 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 90% | 0.898 | 87% | 0.867 | S | S | * | * | trans | -20.4 | 116.6 | 138.2 | 20 | -53.5 | 0 | 0 | 0 | 114.4 | ||||
| 227 | D | 59.9 | Low | 44.8 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 85% | 0.845 | 87% | 0.873 | S | S | * | * | trans | -143.5 | 149 | 163.7 | -162 | 14.6 | 0 | 0 | 0 | 111.3 | G225 | G225-D227 PolarHBondContact O-N 2.82Š| ||
| 228 | S | 62.6 | Low | 45.6 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 83% | 0.825 | 87% | 0.872 | S | S | * | * | trans | -81.8 | 154.4 | -157.6 | -55.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 229 | G | 43.1 | Very low | 46.7 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 100% | 1.598 | 87% | 0.873 | S | S | * | * | trans | -172.3 | 0 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 229 of 229 residues in 823.5 ms
(Link to these results)