| 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 | 42 | Very low | 58.7 | Low | 248 Ų | 248 | 163.2 Ų | 163.2 | 100% | 1.222 | 87% | 0.869 | S | S | * | * | 0 | 89.7 | 0 | -69.4 | -66.1 | 161.6 | 0 | 0 | 108.1 | |||||
| 2 | S | 50.2 | Low | 58.9 | Low | 128 Ų | 128 | 158 Ų | 158 | 90% | 0.895 | 87% | 0.866 | S | S | * | * | trans | -123.9 | 118 | -179.2 | -126.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | R | 55.8 | Low | 59.2 | Low | 237 Ų | 237 | 156.6 Ų | 156.6 | 89% | 0.894 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 144.6 | -179.7 | -75.5 | 176.2 | 157.4 | 176.4 | -6.4 | 110.3 | ||
| 4 | P | 53.3 | Low | 59.5 | Low | 125 Ų | 125 | 155.9 Ų | 155.9 | 81% | 0.812 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 139.9 | 176.6 | 32.7 | -31.4 | 0 | 0 | 0 | 110.8 | ||
| 5 | L | 57.9 | Low | 59.3 | Low | 175 Ų | 175 | 152.6 Ų | 152.6 | 92% | 0.916 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 125.3 | -179.6 | -70.4 | 160 | 0 | 0 | 0 | 110.8 | ||
| 6 | L | 57.7 | Low | 59.2 | Low | 165 Ų | 165 | 149.4 Ų | 149.4 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 135.8 | 169.1 | -84.6 | 143.4 | 0 | 0 | 0 | 110.1 | T8 | L6-T8 PolarHBondContact O-N 2.86Š|
| 7 | I | 69.3 | Low | 59 | Low | 148 Ų | 148 | 149.3 Ų | 149.3 | 76% | 0.759 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 121.5 | 177 | -61.4 | 164.9 | 0 | 0 | 0 | 109.5 | F9 | I7-F9 HydrophobicContact CG2-CD2 4.46Å; I7-F9 HydrophobicContact CG2-CE2 4.16Å |
| 8 | T | 59 | Low | 59 | Low | 129 Ų | 129 | 146.3 Ų | 146.3 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 127.5 | 170.2 | 52.5 | 0 | 0 | 0 | 0 | 110 | L6 | L6-T8 PolarHBondContact O-N 2.86Š|
| 9 | F | 64.7 | Low | 58.8 | Low | 192 Ų | 192 | 147.8 Ų | 147.8 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 124.4 | 173.9 | -75.7 | -88.6 | 0 | 0 | 0 | 110.8 | I7 | I7-F9 HydrophobicContact CG2-CD2 4.46Å; I7-F9 HydrophobicContact CG2-CE2 4.16Å |
| 10 | T | 65.6 | Low | 59 | Low | 135 Ų | 135 | 148.1 Ų | 148.1 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 128.1 | 169.5 | 27.2 | 0 | 0 | 0 | 0 | 110.8 | ||
| 11 | P | 70.1 | Confident | 59.2 | Low | 113 Ų | 113 | 148.6 Ų | 148.6 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 142.6 | 175.3 | -15.2 | 28.4 | 0 | 0 | 0 | 112.2 | T13 | P11-T13 PolarHBondContact O-N 2.67Š|
| 12 | A | 61.6 | Low | 60.2 | Low | 101 Ų | 101 | 139.9 Ų | 139.9 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 128 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 13 | T | 62.9 | Low | 60.4 | Low | 140 Ų | 140 | 141 Ų | 141 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -97.2 | -10.7 | -174.5 | -35.7 | 0 | 0 | 0 | 0 | 113.1 | P11 | P11-T13 PolarHBondContact O-N 2.67Š| ||
| 14 | D | 63.4 | Low | 60.5 | Low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -110.9 | 129.8 | -177.1 | -111 | -27 | 0 | 0 | 0 | 112.3 | S16 | D14-S16 PolarHBondContact O-N 2.98Å; D14-S16 VanDerWaalsContact O-N 3.08Å |
| 15 | P | 56.2 | Low | 60.6 | Low | 106 Ų | 106 | 137 Ų | 137 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | trans | -79.4 | 90.9 | 178.9 | 32.2 | -30.6 | 0 | 0 | 0 | 109.4 | D17 | P15-D17 PolarHBondContact O-N 3.05Š| ||
| 16 | S | 56.8 | Low | 60.4 | Low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -79.8 | 110.7 | 165.6 | 60.9 | 0 | 0 | 0 | 0 | 109.5 | D14 L18 | D14-S16 PolarHBondContact O-N 2.98Å; D14-S16 VanDerWaalsContact O-N 3.08Å; S16-L18 PolarHBondContact O-N 2.98Å | ||
| 17 | D | 56.1 | Low | 60 | Low | 148 Ų | 148 | 134 Ų | 134 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 41.4 | -167.5 | -67.6 | -49.3 | 0 | 0 | 0 | 118.4 | P15 | P15-D17 PolarHBondContact O-N 3.05Š|
| 18 | L | 59.2 | Low | 58.7 | Low | 95 Ų | 95 | 132.5 Ų | 132.5 | 50% | 0.497 | 74% | 0.738 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.2 | -7.9 | -180 | -66.9 | 173.1 | 0 | 0 | 0 | 114.6 | S16 | S16-L18 PolarHBondContact O-N 2.98Š|
| 19 | W | 55.9 | Low | 58 | Low | 175 Ų | 175 | 135.8 Ų | 135.8 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -137.2 | 114 | -175.7 | -84.1 | 62.3 | 0 | 0 | 0 | 109.9 | ||
| 20 | K | 61.5 | Low | 57 | Low | 153 Ų | 153 | 135.8 Ų | 135.8 | 67% | 0.665 | 74% | 0.744 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -125.4 | 135.3 | 167.2 | -95.5 | -169.5 | 174.6 | -170 | 0 | 108.5 | G22 Q23 | K20-G22 VanDerWaalsContact C-N 3.3Å; K20-G22 PolarHBondContact O-N 3.43Å; K20-Q23 PolarHBondContact N-O 3.26Å; K20-Q23 PolarHBondContact O-N 3.25Å; K20-Q23 VanDerWaalsContact O-N 3.12Å; K20-Q23 VanDerWaalsContact O-O 3.05Å |
| 21 | D | 63.1 | Low | 56 | Low | 160 Ų | 160 | 135.6 Ų | 135.6 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.6 | 38.9 | 171.9 | -52.6 | -43.3 | 0 | 0 | 0 | 115.1 | Q23 | D21-Q23 PolarHBondContact O-N 2.89Š|
| 22 | G | 64.4 | Low | 55 | Low | 64 Ų | 64 | 139 Ų | 139 | 66% | 0.66 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.1 | 10.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K20 | K20-G22 VanDerWaalsContact C-N 3.3Å; K20-G22 PolarHBondContact O-N 3.43Å |
| 23 | Q | 54.4 | Low | 54.6 | Low | 151 Ų | 151 | 139.4 Ų | 139.4 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.8 | 140.5 | 174.2 | -62.7 | -152.6 | -6 | 0 | 0 | 112 | K20 D21 | K20-Q23 PolarHBondContact N-O 3.26Å; K20-Q23 PolarHBondContact O-N 3.25Å; K20-Q23 VanDerWaalsContact O-N 3.12Å; K20-Q23 VanDerWaalsContact O-O 3.05Å; D21-Q23 PolarHBondContact O-N 2.89Å |
| 24 | Q | 56.8 | Low | 54 | Low | 140 Ų | 140 | 139.6 Ų | 139.6 | 65% | 0.654 | 75% | 0.749 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.1 | 124.3 | 176 | -171.7 | 176.4 | 9.5 | 0 | 0 | 109 | ||
| 25 | Q | 55.9 | Low | 53.9 | Low | 138 Ų | 138 | 140.2 Ų | 140.2 | 65% | 0.645 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 139.4 | 177 | -77.2 | -170.2 | -13.6 | 0 | 0 | 111.6 | ||
| 26 | P | 53.6 | Low | 54.8 | Low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 139.8 | 176.9 | 29.3 | -31.5 | 0 | 0 | 0 | 111.9 | ||
| 27 | Q | 48.7 | Very low | 55.9 | Low | 151 Ų | 151 | 138.4 Ų | 138.4 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 152 | 179.5 | -75.2 | -137.5 | -9.4 | 0 | 0 | 113.3 | ||
| 28 | P | 43.7 | Very low | 57.1 | Low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -79 | 121.8 | 172.7 | 31.6 | -30.1 | 0 | 0 | 0 | 111 | ||
| 29 | E | 42.8 | Very low | 58.1 | Low | 197 Ų | 197 | 132.8 Ų | 132.8 | 92% | 0.921 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 128.9 | 179.6 | -59.1 | -171.1 | -177.9 | 0 | 0 | 111.7 | ||
| 30 | K | 45.4 | Very low | 59.2 | Low | 193 Ų | 193 | 127 Ų | 127 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 145.2 | 168.5 | -83.7 | 177.8 | 177.2 | 175 | 0 | 109.6 | E32 | K30-E32 PolarHBondContact O-N 3.3Š|
| 31 | P | 43.2 | Very low | 60.3 | Low | 131 Ų | 131 | 127.6 Ų | 127.6 | 85% | 0.851 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 127.6 | -167.3 | 30.4 | -33.2 | 0 | 0 | 0 | 111.6 | ||
| 32 | E | 49.9 | Very low | 61.3 | Low | 184 Ų | 184 | 122.8 Ų | 122.8 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 135.8 | 171.8 | -66 | -167.9 | 153.9 | 0 | 0 | 110.8 | K30 T34 | K30-E32 PolarHBondContact O-N 3.3Å; E32-T34 PolarHBondContact O-N 3.47Å |
| 33 | S | 53.9 | Low | 62.3 | Low | 109 Ų | 109 | 125.7 Ų | 125.7 | 76% | 0.762 | 69% | 0.693 | S | S | * | * | trans | -63.8 | 113.5 | 175.5 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | L35 | S33-L35 PolarHBondContact O-N 2.94Š| ||
| 34 | T | 48.4 | Very low | 63.6 | Low | 144 Ų | 144 | 125.7 Ų | 125.7 | 88% | 0.883 | 69% | 0.687 | S | S | * | * | trans | -66.9 | 89.6 | 176 | 3 | 0 | 0 | 0 | 0 | 111 | E32 | E32-T34 PolarHBondContact O-N 3.47Š| ||
| 35 | L | 62.6 | Low | 65.2 | Low | 161 Ų | 161 | 124 Ų | 124 | 84% | 0.843 | 68% | 0.679 | S | S | * | * | trans | -84.3 | 105.2 | 157 | -77.2 | 169 | 0 | 0 | 0 | 107.5 | S33 G37 | S33-L35 PolarHBondContact O-N 2.94Å; L35-G37 PolarHBondContact O-N 3.04Å | ||
| 36 | D | 75 | Confident | 66.6 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | trans | -61.5 | 129.3 | 179.8 | -174.2 | 10.6 | 0 | 0 | 0 | 110.6 | A38 A39 | D36-A38 PolarHBondContact O-N 2.91Å; D36-A39 WeakPolarHBondContact O-CB 3.46Å; D36-A39 PolarHBondContact O-N 3.12Å | ||
| 37 | G | 78.7 | Confident | 67.9 | Low | 53 Ų | 53 | 118.6 Ų | 118.6 | 55% | 0.546 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -60 | -21.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L35 R41 | L35-G37 PolarHBondContact O-N 3.04Å; G37-R41 PolarHBondContact O-N 3.14Å; G37-R41 VanDerWaalsContact O-N 3.13Å |
| 38 | A | 82 | Confident | 69.4 | Low | 62 Ų | 62 | 117.1 Ų | 117.1 | 51% | 0.512 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -64.9 | -39.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D36 R41 A42 | D36-A38 PolarHBondContact O-N 2.91Å; A38-R41 PolarHBondContact O-N 3.04Å; A38-A42 PolarHBondContact O-N 3.31Å |
| 39 | A | 81.2 | Confident | 70.9 | Confident | 63 Ų | 63 | 113.2 Ų | 113.2 | 52% | 0.521 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -69.5 | -38.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D36 R41 A42 F43 | D36-A39 WeakPolarHBondContact O-CB 3.46Å; D36-A39 PolarHBondContact O-N 3.12Å; A39-R41 VanDerWaalsContact C-N 3.35Å; A39-A42 PolarHBondContact O-N 3.05Å; A39-F43 PolarHBondContact O-N 3.02Å |
| 40 | A | 78.2 | Confident | 71.7 | Confident | 53 Ų | 53 | 110.3 Ų | 110.3 | 44% | 0.438 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.8 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y44 | A40-Y44 WeakPolarHBondContact O-CD2 3.28Å; A40-Y44 PolarHBondContact O-N 3.49Å |
| 41 | R | 83.9 | Confident | 72.1 | Confident | 166 Ų | 166 | 109.7 Ų | 109.7 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.7 | -45.4 | 177.3 | -175.2 | 178.9 | 176 | 134.8 | 7.3 | 112.5 | G37 A38 A39 F43 Y44 E45 | G37-R41 PolarHBondContact O-N 3.14Å; G37-R41 VanDerWaalsContact O-N 3.13Å; A38-R41 PolarHBondContact O-N 3.04Å; A39-R41 VanDerWaalsContact C-N 3.35Å; R41-F43 VanDerWaalsContact C-N 3.29Å; R41-F43 PolarHBondContact O-N 3.36Å; R41-Y44 PolarHBondContact O-N 2.92Å; R41-E45 HydrophobicContact CG-CG 4.42Å; R41-E45 IonicContact CZ-OE1 3.08Å; R41-E45 IonicContact NE-OE1 2.95Å; R41-E45 PolarHBondContact NE-OE1 2.95Å; R41-E45 IonicContact NH2-OE1 2.66Å; R41-E45 PolarHBondContact NH2-OE1 2.96Å; R41-E45 PolarHBondContact O-N 3.14Å |
| 42 | A | 85.8 | Confident | 72.6 | Confident | 58 Ų | 58 | 108.1 Ų | 108.1 | 48% | 0.479 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61 | -37.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A38 A39 A46 | A38-A42 PolarHBondContact O-N 3.31Å; A39-A42 PolarHBondContact O-N 3.05Å; A42-A46 WeakPolarHBondContact O-CB 3.09Å; A42-A46 PolarHBondContact O-N 2.93Å |
| 43 | F | 83.8 | Confident | 72.2 | Confident | 126 Ų | 126 | 104.1 Ų | 104.1 | 55% | 0.553 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.4 | -47.3 | 176.1 | 174.7 | -103 | 0 | 0 | 0 | 112.6 | A39 R41 A46 L47 | A39-F43 PolarHBondContact O-N 3.02Å; R41-F43 VanDerWaalsContact C-N 3.29Å; R41-F43 PolarHBondContact O-N 3.36Å; F43-A46 PolarHBondContact O-N 2.94Å; F43-L47 HydrophobicContact CD1-CD1 3.94Å; F43-L47 HydrophobicContact CD2-CD1 4.38Å; F43-L47 HydrophobicContact CE1-CD1 3.37Å; F43-L47 HydrophobicContact CE2-CD1 3.88Å; F43-L47 HydrophobicContact CG-CD1 4.41Å; F43-L47 HydrophobicContact CZ-CD1 3.35Å; F43-L47 PolarHBondContact O-N 3.16Å |
| 44 | Y | 83 | Confident | 71.7 | Confident | 151 Ų | 151 | 103 Ų | 103 | 59% | 0.592 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.9 | -35.7 | 179.5 | -73.2 | -65.2 | 0 | 0 | 0 | 112.9 | A40 R41 A46 L47 I48 | A40-Y44 WeakPolarHBondContact O-CD2 3.28Å; A40-Y44 PolarHBondContact O-N 3.49Å; R41-Y44 PolarHBondContact O-N 2.92Å; Y44-A46 VanDerWaalsContact C-N 3.33Å; Y44-L47 PolarHBondContact O-N 3.04Å; Y44-I48 WeakPolarHBondContact O-CG1 3.49Å; Y44-I48 PolarHBondContact O-N 3.46Å |
| 45 | E | 89 | Confident | 71.2 | Confident | 103 Ų | 103 | 102.1 Ų | 102.1 | 48% | 0.481 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.3 | -36 | 174.5 | -76.1 | 178.3 | 175.1 | 0 | 0 | 111.8 | R41 I48 G49 | R41-E45 HydrophobicContact CG-CG 4.42Å; R41-E45 IonicContact CZ-OE1 3.08Å; R41-E45 IonicContact NE-OE1 2.95Å; R41-E45 PolarHBondContact NE-OE1 2.95Å; R41-E45 IonicContact NH2-OE1 2.66Å; R41-E45 PolarHBondContact NH2-OE1 2.96Å; R41-E45 PolarHBondContact O-N 3.14Å; E45-I48 PolarHBondContact O-N 2.97Å; E45-G49 PolarHBondContact O-N 2.97Å |
| 46 | A | 85.1 | Confident | 70 | Confident | 60 Ų | 60 | 102.6 Ų | 102.6 | 50% | 0.496 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.7 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A42 F43 Y44 I48 G49 D50 | A42-A46 WeakPolarHBondContact O-CB 3.09Å; A42-A46 PolarHBondContact O-N 2.93Å; F43-A46 PolarHBondContact O-N 2.94Å; Y44-A46 VanDerWaalsContact C-N 3.33Å; A46-I48 VanDerWaalsContact C-N 3.33Å; A46-I48 PolarHBondContact O-N 3.44Å; A46-G49 PolarHBondContact O-N 3.43Å; A46-D50 PolarHBondContact O-N 3.46Å; A46-D50 VanDerWaalsContact O-N 3.07Å |
| 47 | L | 81.7 | Confident | 68.1 | Low | 92 Ų | 92 | 102 Ų | 102 | 48% | 0.482 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.5 | -37.9 | 176.7 | -99.6 | 144.8 | 0 | 0 | 0 | 113.1 | F43 Y44 | F43-L47 HydrophobicContact CD1-CD1 3.94Å; F43-L47 HydrophobicContact CD2-CD1 4.38Å; F43-L47 HydrophobicContact CE1-CD1 3.37Å; F43-L47 HydrophobicContact CE2-CD1 3.88Å; F43-L47 HydrophobicContact CG-CD1 4.41Å; F43-L47 HydrophobicContact CZ-CD1 3.35Å; F43-L47 PolarHBondContact O-N 3.16Å; Y44-L47 PolarHBondContact O-N 3.04Å |
| 48 | I | 80.3 | Confident | 66.4 | Low | 119 Ų | 119 | 108.3 Ų | 108.3 | 61% | 0.61 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -76.8 | -31.1 | 178.3 | -61.7 | 165.4 | 0 | 0 | 0 | 111 | Y44 E45 A46 S52 | Y44-I48 WeakPolarHBondContact O-CG1 3.49Å; Y44-I48 PolarHBondContact O-N 3.46Å; E45-I48 PolarHBondContact O-N 2.97Å; A46-I48 VanDerWaalsContact C-N 3.33Å; A46-I48 PolarHBondContact O-N 3.44Å; I48-S52 PolarHBondContact O-OG 2.88Å |
| 49 | G | 74.9 | Confident | 64 | Low | 37 Ų | 37 | 117 Ų | 117 | 38% | 0.381 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -69.5 | -36.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | E45 A46 S52 | E45-G49 PolarHBondContact O-N 2.97Å; A46-G49 PolarHBondContact O-N 3.43Å; G49-S52 PolarHBondContact O-N 2.9Å |
| 50 | D | 60.2 | Low | 61.9 | Low | 135 Ų | 135 | 118.8 Ų | 118.8 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.8 | -32.6 | 179.3 | -98.3 | -9.4 | 0 | 0 | 0 | 113 | A46 S52 S53 | A46-D50 PolarHBondContact O-N 3.46Å; A46-D50 VanDerWaalsContact O-N 3.07Å; D50-S52 VanDerWaalsContact C-N 3.25Å; D50-S52 PolarHBondContact O-N 3.02Å; D50-S53 PolarHBondContact O-N 3.41Å |
| 51 | E | 53.6 | Low | 59.9 | Low | 180 Ų | 180 | 124.9 Ų | 124.9 | 84% | 0.841 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.4 | -16.6 | 176 | -68.4 | -150.9 | 119.2 | 0 | 0 | 113.6 | ||
| 52 | S | 53 | Low | 57.5 | Low | 99 Ų | 99 | 122.7 Ų | 122.7 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -2.7 | 179.1 | -57.2 | 0 | 0 | 0 | 0 | 113.4 | I48 G49 D50 | I48-S52 PolarHBondContact O-OG 2.88Å; G49-S52 PolarHBondContact O-N 2.9Å; D50-S52 VanDerWaalsContact C-N 3.25Å; D50-S52 PolarHBondContact O-N 3.02Å |
| 53 | S | 41.8 | Very low | 55.2 | Low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | trans | -104 | 69.7 | -179 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | D50 | D50-S53 PolarHBondContact O-N 3.41Š| ||
| 54 | A | 42.9 | Very low | 53 | Low | 85 Ų | 85 | 127.3 Ų | 127.3 | 70% | 0.702 | 70% | 0.701 | S | S | * | * | trans | -105.5 | 138.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | D56 | A54-D56 PolarHBondContact O-N 2.72Š| ||
| 55 | P | 39.5 | Very low | 50.5 | Low | 125 Ų | 125 | 124.1 Ų | 124.1 | 81% | 0.812 | 71% | 0.707 | S | S | * | * | trans | -88.4 | 114.1 | -155.7 | 33.6 | -31.3 | 0 | 0 | 0 | 111.7 | ||||
| 56 | D | 37.1 | Very low | 48.1 | Very low | 172 Ų | 172 | 130.4 Ų | 130.4 | 92% | 0.92 | 73% | 0.726 | S | S | * | * | trans | -105.7 | 126.2 | 159.6 | -96.4 | -33.5 | 0 | 0 | 0 | 110.4 | A54 | A54-D56 PolarHBondContact O-N 2.72Š| ||
| 57 | S | 35.1 | Very low | 45.8 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | -81.6 | 149 | -171.9 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 58 | Q | 41.9 | Very low | 43.9 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | trans | 82.9 | 97.3 | 164.9 | -50.5 | -169.8 | -27.1 | 0 | 0 | 115.8 | ||||
| 59 | R | 32.6 | Very low | 42 | Very low | 243 Ų | 243 | 141.4 Ų | 141.4 | 92% | 0.917 | 75% | 0.751 | S | S | * | * | 55.7 | 111.3 | 80.5 | -162.8 | 171.3 | -168.5 | -172.8 | 3.6 | 110 | |||||
| 60 | S | 37.1 | Very low | 40.3 | Very low | 101 Ų | 101 | 149.5 Ų | 149.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -169.4 | 137.9 | 47.4 | 39.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 61 | Q | 34.6 | Very low | 39.3 | Very low | 182 Ų | 182 | 150.1 Ų | 150.1 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | 25.9 | 134.2 | 140.1 | -46.1 | -164.4 | 3.2 | 0 | 0 | 118.9 | ||||
| 62 | T | 34.4 | Very low | 38.5 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | -175.6 | 127.9 | 69.2 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 63 | E | 37.9 | Very low | 37.7 | Very low | 177 Ų | 177 | 152.9 Ų | 152.9 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | 51.6 | 148.1 | 144.8 | -63.4 | -69.2 | 113.8 | 0 | 0 | 125.7 | ||||
| 64 | P | 36.3 | Very low | 37.5 | Very low | 104 Ų | 104 | 157 Ų | 157 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | -120.2 | -178.9 | -168.9 | 38.3 | -18.8 | 0 | 0 | 0 | 115.8 | ||||
| 65 | A | 32.4 | Very low | 37.3 | Very low | 85 Ų | 85 | 158.9 Ų | 158.9 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | 85.5 | 116.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 66 | R | 38.4 | Very low | 37.1 | Very low | 234 Ų | 234 | 160.7 Ų | 160.7 | 88% | 0.883 | 76% | 0.755 | S | S | * | * | 162.2 | 105.6 | 111.8 | -86 | 172 | 178.7 | -157.6 | -0.2 | 109.1 | |||||
| 67 | E | 36.5 | Very low | 36.9 | Very low | 139 Ų | 139 | 162.3 Ų | 162.3 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | 63.3 | 111.1 | 98.9 | -148.6 | -169 | 152 | 0 | 0 | 114.6 | |||||
| 68 | R | 41.9 | Very low | 36.9 | Very low | 205 Ų | 205 | 161.6 Ų | 161.6 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | 166.1 | 115 | 114.3 | -87.6 | 172.7 | 173.1 | -161.9 | -1.3 | 114.3 | |||||
| 69 | K | 39.9 | Very low | 36.7 | Very low | 158 Ų | 158 | 158.6 Ų | 158.6 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | 57.2 | 113.3 | 123.2 | -66 | -179.3 | -176.8 | 173.9 | 0 | 120.7 | |||||
| 70 | R | 39.4 | Very low | 36.7 | Very low | 207 Ų | 207 | 151.7 Ų | 151.7 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | 75 | 125.6 | 118.5 | -90.2 | -178.2 | 160.5 | -171.9 | -1.7 | 120.3 | |||||
| 71 | K | 38.4 | Very low | 36.4 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 64% | 0.643 | 75% | 0.747 | S | S | * | * | 108.9 | 111.7 | 123.1 | -87.7 | 175.1 | 178.4 | 179 | 0 | 117.3 | |||||
| 72 | K | 37.5 | Very low | 36.3 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 70% | 0.704 | 75% | 0.75 | S | S | * | * | 79.7 | 115.4 | 123.7 | -83.8 | -176.1 | 166.4 | -179.8 | 0 | 118.7 | |||||
| 73 | R | 36.2 | Very low | 36.3 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | 91.9 | 119.9 | 119.4 | -78.2 | 176 | 114.2 | -172.9 | 4.7 | 117.7 | |||||
| 74 | R | 36.8 | Very low | 36.3 | Very low | 187 Ų | 187 | 149.5 Ų | 149.5 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | 93.1 | 118.6 | 124.7 | -86.9 | -174.5 | 158.6 | -174.9 | -4.7 | 116.9 | |||||
| 75 | I | 38.8 | Very low | 36.3 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | 96.7 | 109.1 | 124.3 | -70.7 | 171.4 | 0 | 0 | 0 | 116.2 | |||||
| 76 | M | 35 | Very low | 36.3 | Very low | 162 Ų | 162 | 154.6 Ų | 154.6 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | 90.8 | 131.2 | 137.5 | -62.6 | -84.8 | 166 | 0 | 0 | 120.5 | ||||
| 77 | K | 33 | Very low | 36.1 | Very low | 206 Ų | 206 | 147.2 Ų | 147.2 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | trans | 84.6 | 119.9 | 148 | -90.3 | 175.6 | 168 | 179.3 | 0 | 119.3 | ||||
| 78 | A | 35.3 | Very low | 36.4 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -56 | -173.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 79 | P | 38.8 | Very low | 36.1 | Very low | 122 Ų | 122 | 142 Ų | 142 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | cis | -126.2 | -179.1 | -44.6 | 29.8 | -11.6 | 0 | 0 | 0 | 111.3 | ||||
| 80 | A | 31.7 | Very low | 35.9 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | 120.7 | 128.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 81 | A | 31.8 | Very low | 36.2 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | 68.1 | 108 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 82 | E | 31.6 | Very low | 36.2 | Very low | 194 Ų | 194 | 141 Ų | 141 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | 52.8 | 100.5 | 127.8 | -57.8 | -167.6 | 148 | 0 | 0 | 118.4 | |||||
| 83 | A | 35.8 | Very low | 36.5 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -153.1 | 115.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 84 | V | 36.7 | Very low | 36.8 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -53.3 | 129.3 | 169 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 85 | A | 37.3 | Very low | 37.2 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -166.8 | 120 | 148.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 86 | E | 31.9 | Very low | 37.7 | Very low | 200 Ų | 200 | 133.6 Ų | 133.6 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | trans | -62.4 | 155.7 | 174.3 | -61.7 | -179.7 | 132.8 | 0 | 0 | 113.2 | ||||
| 87 | G | 33.6 | Very low | 38.8 | Very low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 137.8 | 90.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 88 | A | 43.4 | Very low | 40.3 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | 173.2 | 93.7 | 135.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 89 | S | 36 | Very low | 42 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -25.2 | 138.1 | 154.4 | -160.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 90 | G | 36 | Very low | 43.8 | Very low | 71 Ų | 71 | 122.2 Ų | 122.2 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | 118.5 | 45.1 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 91 | R | 45.8 | Very low | 45.9 | Very low | 221 Ų | 221 | 122.6 Ų | 122.6 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | trans | -165.5 | 43 | 157.7 | -144.9 | 170.6 | -179.1 | -166.1 | -2.2 | 114.8 | G93 | R91-G93 PolarHBondContact O-N 2.82Š| ||
| 92 | H | 36.8 | Very low | 48.3 | Very low | 199 Ų | 199 | 123 Ų | 123 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | trans | -90.3 | 93.8 | -176.3 | -88.4 | 44.8 | 0 | 0 | 0 | 111.6 | ||||
| 93 | G | 43.8 | Very low | 51 | Low | 68 Ų | 68 | 119.9 Ų | 119.9 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -166.1 | -32.9 | 171 | 0 | 0 | 0 | 0 | 0 | 115.1 | R91 | R91-G93 PolarHBondContact O-N 2.82Š|
| 94 | Q | 43.4 | Very low | 53.5 | Low | 149 Ų | 149 | 118.7 Ų | 118.7 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -110 | -23.4 | -174.9 | -70.3 | 176.6 | -18.5 | 0 | 0 | 114.6 | R96 | Q94-R96 PolarHBondContact O-N 2.97Š|
| 95 | G | 45.2 | Very low | 56.1 | Low | 48 Ų | 48 | 112.9 Ų | 112.9 | 50% | 0.495 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -70.7 | -26.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | E99 | G95-E99 WeakPolarHBondContact O-CG 3.41Å |
| 96 | R | 48.1 | Very low | 58.7 | Low | 228 Ų | 228 | 113.3 Ų | 113.3 | 86% | 0.86 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.6 | -29.8 | -179.1 | -99 | -179.2 | 149.2 | -170.5 | -6.1 | 113.7 | Q94 A100 | Q94-R96 PolarHBondContact O-N 2.97Å; R96-A100 PolarHBondContact O-N 3.06Å |
| 97 | S | 59.6 | Low | 61.7 | Low | 67 Ų | 67 | 110.6 Ų | 110.6 | 47% | 0.469 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72 | -44.2 | -179.1 | -157.4 | 0 | 0 | 0 | 0 | 111.1 | E99 A100 E101 | S97-E99 PolarHBondContact O-N 3.25Å; S97-A100 PolarHBondContact O-N 2.62Å; S97-E101 WeakPolarHBondContact O-CG 3.47Å; S97-E101 PolarHBondContact O-N 3.06Å |
| 98 | L | 62.9 | Low | 64.6 | Low | 102 Ų | 102 | 106.9 Ų | 106.9 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.6 | -44.9 | -178.7 | -62.1 | 175.7 | 0 | 0 | 0 | 111.7 | A100 E101 D102 | L98-A100 VanDerWaalsContact C-N 3.26Å; L98-A100 PolarHBondContact O-N 3.2Å; L98-E101 PolarHBondContact O-N 3.3Å; L98-D102 WeakPolarHBondContact O-CB 3.15Å; L98-D102 VanDerWaalsContact O-CG 3.27Å; L98-D102 PolarHBondContact O-N 3.39Å |
| 99 | E | 72.1 | Confident | 67 | Low | 114 Ų | 114 | 102.6 Ų | 102.6 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.3 | -31.2 | 177.5 | -67.7 | -72.8 | 147.2 | 0 | 0 | 113.1 | G95 S97 K103 | G95-E99 WeakPolarHBondContact O-CG 3.41Å; S97-E99 PolarHBondContact O-N 3.25Å; E99-K103 WeakPolarHBondContact O-CB 3.48Å; E99-K103 WeakPolarHBondContact O-CD 3.38Å; E99-K103 WeakPolarHBondContact O-CG 3.44Å; E99-K103 PolarHBondContact O-N 3.16Å |
| 100 | A | 75.7 | Confident | 69.9 | Low | 59 Ų | 59 | 102.5 Ų | 102.5 | 49% | 0.488 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -75.9 | -40.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R96 S97 L98 K103 M104 | R96-A100 PolarHBondContact O-N 3.06Å; S97-A100 PolarHBondContact O-N 2.62Å; L98-A100 VanDerWaalsContact C-N 3.26Å; L98-A100 PolarHBondContact O-N 3.2Å; A100-K103 PolarHBondContact O-N 3.15Å; A100-M104 WeakPolarHBondContact O-CB 3.49Å; A100-M104 PolarHBondContact O-N 3.26Å |
| 101 | E | 75.9 | Confident | 72.7 | Confident | 105 Ų | 105 | 99.3 Ų | 99.3 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 174.6 | -72.9 | 173.3 | -178.5 | 0 | 0 | 111.8 | S97 L98 M104 T105 | S97-E101 WeakPolarHBondContact O-CG 3.47Å; S97-E101 PolarHBondContact O-N 3.06Å; L98-E101 PolarHBondContact O-N 3.3Å; E101-M104 PolarHBondContact O-N 3.01Å; E101-T105 WeakPolarHBondContact O-CB 3.43Å; E101-T105 PolarHBondContact O-N 2.95Å; E101-T105 PolarHBondContact O-OG1 3.11Å |
| 102 | D | 83.1 | Confident | 75.1 | Confident | 99 Ų | 99 | 88.8 Ų | 88.8 | 53% | 0.529 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66 | -42 | 177.2 | -72.2 | -19 | 0 | 0 | 0 | 111.4 | L98 M104 T105 H106 | L98-D102 WeakPolarHBondContact O-CB 3.15Å; L98-D102 VanDerWaalsContact O-CG 3.27Å; L98-D102 PolarHBondContact O-N 3.39Å; D102-M104 VanDerWaalsContact C-N 3.34Å; D102-M104 PolarHBondContact O-N 3.45Å; D102-T105 PolarHBondContact O-N 3.39Å; D102-H106 WeakPolarHBondContact O-CB 3.28Å; D102-H106 PolarHBondContact O-N 2.92Å |
| 103 | K | 87.8 | Confident | 77.9 | Confident | 128 Ų | 128 | 84.9 Ų | 84.9 | 56% | 0.557 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.8 | -40.5 | 174.3 | -74.1 | 169.5 | -170.2 | 176.7 | 0 | 111.9 | E99 A100 R107 | E99-K103 WeakPolarHBondContact O-CB 3.48Å; E99-K103 WeakPolarHBondContact O-CD 3.38Å; E99-K103 WeakPolarHBondContact O-CG 3.44Å; E99-K103 PolarHBondContact O-N 3.16Å; A100-K103 PolarHBondContact O-N 3.15Å; K103-R107 WeakPolarHBondContact O-CG 3.43Å; K103-R107 PolarHBondContact O-N 3.04Å; K103-R107 VanDerWaalsContact O-N 3.1Å |
| 104 | M | 88.4 | Confident | 80.4 | Confident | 75 Ų | 75 | 87.1 Ų | 87.1 | 37% | 0.369 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.4 | -48.5 | 176.1 | -176.5 | 61 | 78.6 | 0 | 0 | 110.7 | A100 E101 D102 H106 R107 I108 L123 | A100-M104 WeakPolarHBondContact O-CB 3.49Å; A100-M104 PolarHBondContact O-N 3.26Å; E101-M104 PolarHBondContact O-N 3.01Å; D102-M104 VanDerWaalsContact C-N 3.34Å; D102-M104 PolarHBondContact O-N 3.45Å; M104-H106 VanDerWaalsContact C-N 3.35Å; M104-H106 PolarHBondContact O-N 3.05Å; M104-R107 WeakPolarHBondContact O-CB 3.47Å; M104-R107 PolarHBondContact O-N 3.36Å; M104-R107 VanDerWaalsContact O-N 3.11Å; M104-I108 HydrophobicContact CG-CD1 4.02Å; M104-I108 WeakPolarHBondContact O-CG1 3.42Å; M104-I108 PolarHBondContact O-N 3.32Å; M104-I108 HydrophobicContact SD-CD1 4.47Å; M104-L123 HydrophobicContact CE-CD2 4.49Å; M104-L123 HydrophobicContact SD-CD2 3.67Å |
| 105 | T | 91.6 | Very high | 82.8 | Confident | 26 Ų | 26 | 80.9 Ų | 80.9 | 16% | 0.16 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -55.2 | -50 | 177.1 | -62.2 | 0 | 0 | 0 | 0 | 111 | E101 D102 R107 I108 L109 A138 | E101-T105 WeakPolarHBondContact O-CB 3.43Å; E101-T105 PolarHBondContact O-N 2.95Å; E101-T105 PolarHBondContact O-OG1 3.11Å; D102-T105 PolarHBondContact O-N 3.39Å; T105-R107 VanDerWaalsContact C-N 3.32Å; T105-R107 PolarHBondContact O-N 2.96Å; T105-I108 PolarHBondContact O-N 2.85Å; T105-L109 HydrophobicContact CG2-CD1 3.92Å; T105-L109 HydrophobicContact CG2-CG 4.4Å; T105-L109 VanDerWaalsContact O-CG 3.3Å; T105-L109 WeakPolarHBondContact O-CG 3.09Å; T105-L109 PolarHBondContact O-N 3.43Å; T105-A138 HydrophobicContact CG2-CB 3.71Å |
| 106 | H | 92.6 | Very high | 85.2 | Confident | 106 Ų | 106 | 81.4 Ų | 81.4 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 178.5 | 177.6 | -90.5 | 0 | 0 | 0 | 113.1 | D102 M104 R110 | D102-H106 WeakPolarHBondContact O-CB 3.28Å; D102-H106 PolarHBondContact O-N 2.92Å; M104-H106 VanDerWaalsContact C-N 3.35Å; M104-H106 PolarHBondContact O-N 3.05Å; H106-R110 PolarHBondContact CE1-NH2 3.31Å; H106-R110 VanDerWaalsContact CE1-NH2 3.35Å; H106-R110 WeakPolarHBondContact O-CB 3.44Å; H106-R110 PolarHBondContact O-N 2.99Å |
| 107 | R | 93.5 | Very high | 87.4 | Confident | 143 Ų | 143 | 73 Ų | 73 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 173.8 | -74.7 | 176.3 | -177.7 | 176.2 | -0.1 | 112.2 | K103 M104 T105 R110 A111 L123 | K103-R107 WeakPolarHBondContact O-CG 3.43Å; K103-R107 PolarHBondContact O-N 3.04Å; K103-R107 VanDerWaalsContact O-N 3.1Å; M104-R107 WeakPolarHBondContact O-CB 3.47Å; M104-R107 PolarHBondContact O-N 3.36Å; M104-R107 VanDerWaalsContact O-N 3.11Å; T105-R107 VanDerWaalsContact C-N 3.32Å; T105-R107 PolarHBondContact O-N 2.96Å; R107-R110 PolarHBondContact O-N 3.12Å; R107-A111 WeakPolarHBondContact O-CB 3.45Å; R107-A111 PolarHBondContact O-N 3.29Å; R107-L123 HydrophobicContact CB-CD1 4.01Å |
| 108 | I | 94.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 177.6 | -63.2 | 166.9 | 0 | 0 | 0 | 110.4 | M104 T105 R110 A111 A112 L120 L123 L124 P146 | M104-I108 HydrophobicContact CG-CD1 4.02Å; M104-I108 WeakPolarHBondContact O-CG1 3.42Å; M104-I108 PolarHBondContact O-N 3.32Å; M104-I108 HydrophobicContact SD-CD1 4.47Å; T105-I108 PolarHBondContact O-N 2.85Å; I108-R110 PolarHBondContact O-N 3.19Å; I108-A111 PolarHBondContact O-N 3.21Å; I108-A112 WeakPolarHBondContact O-CB 2.92Å; I108-A112 PolarHBondContact O-N 3.18Å; I108-L120 HydrophobicContact CG2-CD2 4.25Å; I108-L123 HydrophobicContact CG1-CB 3.92Å; I108-L123 HydrophobicContact CG1-CD1 3.94Å; I108-L124 HydrophobicContact CD1-CD2 4.26Å; I108-L124 HydrophobicContact CG2-CD2 4.25Å; I108-P146 HydrophobicContact CG2-CB 4.06Å; I108-P146 HydrophobicContact CG2-CG 3.55Å |
| 109 | L | 94.8 | Very high | 90.5 | Very high | 12 Ų | 12 | 71.6 Ų | 71.6 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 179 | -66.5 | 173.1 | 0 | 0 | 0 | 112 | T105 A112 Q113 D140 W144 T145 P146 | T105-L109 HydrophobicContact CG2-CD1 3.92Å; T105-L109 HydrophobicContact CG2-CG 4.4Å; T105-L109 VanDerWaalsContact O-CG 3.3Å; T105-L109 WeakPolarHBondContact O-CG 3.09Å; T105-L109 PolarHBondContact O-N 3.43Å; L109-A112 PolarHBondContact O-N 3.06Å; L109-Q113 WeakPolarHBondContact O-CB 3.01Å; L109-Q113 PolarHBondContact O-N 2.96Å; L109-D140 HydrophobicContact CD1-CB 3.66Å; L109-W144 WeakPolarHBondContact CD2-O 3.5Å; L109-T145 VanDerWaalsContact CD2-C 3.47Å; L109-P146 HydrophobicContact CD2-CB 4.44Å; L109-P146 HydrophobicContact CD2-CG 3.9Å |
| 110 | R | 95.6 | Very high | 91.5 | Very high | 131 Ų | 131 | 66.2 Ų | 66.2 | 49% | 0.494 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 175.5 | -177.8 | 179.5 | -66.7 | -162.4 | -6.8 | 111.9 | H106 R107 I108 A112 Q113 E114 | H106-R110 PolarHBondContact CE1-NH2 3.31Å; H106-R110 VanDerWaalsContact CE1-NH2 3.35Å; H106-R110 WeakPolarHBondContact O-CB 3.44Å; H106-R110 PolarHBondContact O-N 2.99Å; R107-R110 PolarHBondContact O-N 3.12Å; I108-R110 PolarHBondContact O-N 3.19Å; R110-A112 VanDerWaalsContact C-N 3.25Å; R110-A112 PolarHBondContact O-N 2.93Å; R110-Q113 WeakPolarHBondContact O-CB 3.35Å; R110-Q113 PolarHBondContact O-N 3.31Å; R110-Q113 VanDerWaalsContact O-N 3.13Å; R110-E114 WeakPolarHBondContact CD-OE1 3.41Å; R110-E114 HydrophobicContact CG-CG 4.33Å; R110-E114 WeakPolarHBondContact CG-OE1 3.26Å; R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 2.9Å |
| 111 | A | 95.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 68.8 Ų | 68.8 | 3% | 0.033 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60 | -37.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R107 I108 G115 D116 E119 L120 L123 | R107-A111 WeakPolarHBondContact O-CB 3.45Å; R107-A111 PolarHBondContact O-N 3.29Å; I108-A111 PolarHBondContact O-N 3.21Å; A111-G115 PolarHBondContact O-N 3.42Å; A111-D116 PolarHBondContact O-N 3.39Å; A111-E119 HydrophobicContact CB-CB 4.21Å; A111-E119 HydrophobicContact CB-CG 3.95Å; A111-L120 HydrophobicContact CB-CD2 3.97Å; A111-L120 HydrophobicContact CB-CG 3.88Å; A111-L123 HydrophobicContact CB-CD1 4.43Å |
| 112 | A | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I108 L109 R110 G115 L120 P146 C149 A150 L162 | I108-A112 WeakPolarHBondContact O-CB 2.92Å; I108-A112 PolarHBondContact O-N 3.18Å; L109-A112 PolarHBondContact O-N 3.06Å; R110-A112 VanDerWaalsContact C-N 3.25Å; R110-A112 PolarHBondContact O-N 2.93Å; A112-G115 PolarHBondContact O-N 2.86Å; A112-L120 HydrophobicContact CB-CD1 4.45Å; A112-L120 HydrophobicContact CB-CD2 4.13Å; A112-P146 HydrophobicContact CB-CB 3.89Å; A112-P146 VanDerWaalsContact CB-O 3.27Å; A112-P146 WeakPolarHBondContact CB-O 3.39Å; A112-C149 HydrophobicContact CB-CB 4.25Å; A112-A150 HydrophobicContact CB-CB 4.3Å; A112-A150 WeakPolarHBondContact O-CA 3.47Å; A112-A150 WeakPolarHBondContact O-CB 3.45Å; A112-L162 HydrophobicContact CB-CD1 4.44Å |
| 113 | Q | 95.9 | Very high | 93.3 | Very high | 118 Ų | 118 | 67.2 Ų | 67.2 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.8 | -41.9 | 176.1 | -174.9 | -179.1 | -8.6 | 0 | 0 | 112.3 | L109 R110 G115 C149 A153 Q155 | L109-Q113 WeakPolarHBondContact O-CB 3.01Å; L109-Q113 PolarHBondContact O-N 2.96Å; R110-Q113 WeakPolarHBondContact O-CB 3.35Å; R110-Q113 PolarHBondContact O-N 3.31Å; R110-Q113 VanDerWaalsContact O-N 3.13Å; Q113-G115 VanDerWaalsContact C-N 3.3Å; Q113-C149 HydrophobicContact CB-CB 4.24Å; Q113-A153 HydrophobicContact CG-CB 4.27Å; Q113-A153 WeakPolarHBondContact O-CB 3.31Å; Q113-Q155 PolarHBondContact O-NE2 3.35Å |
| 114 | E | 95.7 | Very high | 93.4 | Very high | 114 Ų | 114 | 62 Ų | 62 | 53% | 0.533 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -75.6 | -19.2 | 179.6 | -70 | 171.7 | -173.3 | 0 | 0 | 112.5 | R110 D116 Q155 | R110-E114 WeakPolarHBondContact CD-OE1 3.41Å; R110-E114 HydrophobicContact CG-CG 4.33Å; R110-E114 WeakPolarHBondContact CG-OE1 3.26Å; R110-E114 WeakPolarHBondContact O-CG 3.45Å; R110-E114 PolarHBondContact O-N 2.9Å; E114-D116 VanDerWaalsContact C-N 3.34Å; E114-Q155 PolarHBondContact O-NE2 2.92Å; E114-Q155 VanDerWaalsContact O-NE2 3.16Å |
| 115 | G | 94.4 | Very high | 93.4 | Very high | 18 Ų | 18 | 61.7 Ų | 61.7 | 19% | 0.186 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 19 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A111 A112 Q113 L117 | A111-G115 PolarHBondContact O-N 3.42Å; A112-G115 PolarHBondContact O-N 2.86Å; Q113-G115 VanDerWaalsContact C-N 3.3Å; G115-L117 PolarHBondContact O-N 3.14Å |
| 116 | D | 95.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 63.9 Ų | 63.9 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | trans | -74.2 | 87.4 | 179.8 | -170.8 | -20.5 | 0 | 0 | 0 | 110.2 | A111 E114 P118 E119 L120 | A111-D116 PolarHBondContact O-N 3.39Å; E114-D116 VanDerWaalsContact C-N 3.34Å; D116-P118 WeakPolarHBondContact OD1-CD 3.39Å; D116-P118 WeakPolarHBondContact OD1-CG 3.42Å; D116-E119 HydrophobicContact CB-CB 4.08Å; D116-E119 PolarHBondContact O-N 3.49Å; D116-E119 WeakPolarHBondContact OD1-CB 3.46Å; D116-E119 PolarHBondContact OD1-N 3Å; D116-E119 WeakPolarHBondContact OD2-CB 3.49Å; D116-L120 WeakPolarHBondContact O-CB 3.41Å; D116-L120 WeakPolarHBondContact O-CG 3.48Å; D116-L120 PolarHBondContact O-N 2.89Å | ||
| 117 | L | 94.1 | Very high | 91.8 | Very high | 50 Ų | 50 | 67.3 Ų | 67.3 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 176.4 | -67.4 | -178.8 | 0 | 0 | 0 | 114.4 | G115 E119 L120 R121 A157 A158 Y161 | G115-L117 PolarHBondContact O-N 3.14Å; L117-E119 VanDerWaalsContact C-N 3.35Å; L117-L120 PolarHBondContact O-N 3.11Å; L117-R121 WeakPolarHBondContact O-CB 3.34Å; L117-R121 VanDerWaalsContact O-CG 3.28Å; L117-R121 WeakPolarHBondContact O-CG 3.24Å; L117-R121 PolarHBondContact O-N 2.67Å; L117-A157 HydrophobicContact CD1-CB 3.96Å; L117-A158 HydrophobicContact CD2-CB 4.23Å; L117-Y161 HydrophobicContact CD2-CG 4.45Å |
| 118 | P | 93.9 | Very high | 90.7 | Very high | 96 Ų | 96 | 67.2 Ų | 67.2 | 62% | 0.623 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.2 | -39.1 | 179 | 18.8 | -26.8 | 0 | 0 | 0 | 112.3 | D116 R121 R122 | D116-P118 WeakPolarHBondContact OD1-CD 3.39Å; D116-P118 WeakPolarHBondContact OD1-CG 3.42Å; P118-R121 PolarHBondContact O-N 3.11Å; P118-R122 WeakPolarHBondContact O-CB 3.36Å; P118-R122 PolarHBondContact O-N 3.39Å |
| 119 | E | 92.7 | Very high | 89 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 175.4 | -174.9 | 61.6 | -165 | 0 | 0 | 111.5 | A111 D116 L117 R121 R122 L123 | A111-E119 HydrophobicContact CB-CB 4.21Å; A111-E119 HydrophobicContact CB-CG 3.95Å; D116-E119 HydrophobicContact CB-CB 4.08Å; D116-E119 PolarHBondContact O-N 3.49Å; D116-E119 WeakPolarHBondContact OD1-CB 3.46Å; D116-E119 PolarHBondContact OD1-N 3Å; D116-E119 WeakPolarHBondContact OD2-CB 3.49Å; L117-E119 VanDerWaalsContact C-N 3.35Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 3.13Å; E119-R122 PolarHBondContact O-N 3.33Å; E119-R122 IonicContact OE1-CZ 3.09Å; E119-R122 IonicContact OE1-NE 2.67Å; E119-R122 IonicContact OE1-NH2 3.46Å; E119-R122 PolarHBondContact OE1-NH2 3.29Å; E119-R122 IonicContact OE2-CZ 2.82Å; E119-R122 IonicContact OE2-NE 3.81Å; E119-R122 PolarHBondContact OE2-NE 2.97Å; E119-R122 IonicContact OE2-NH2 3.2Å; E119-R122 PolarHBondContact OE2-NH2 3.26Å; E119-L123 HydrophobicContact CG-CD1 3.91Å; E119-L123 HydrophobicContact CG-CG 4.33Å; E119-L123 VanDerWaalsContact O-CG 3.26Å; E119-L123 WeakPolarHBondContact O-CG 3.31Å; E119-L123 PolarHBondContact O-N 2.81Å |
| 120 | L | 92.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.7 | -43.1 | 173.7 | -84.3 | 175.7 | 0 | 0 | 0 | 112.6 | I108 A111 A112 D116 L117 L123 L124 A158 Y161 | I108-L120 HydrophobicContact CG2-CD2 4.25Å; A111-L120 HydrophobicContact CB-CD2 3.97Å; A111-L120 HydrophobicContact CB-CG 3.88Å; A112-L120 HydrophobicContact CB-CD1 4.45Å; A112-L120 HydrophobicContact CB-CD2 4.13Å; D116-L120 WeakPolarHBondContact O-CB 3.41Å; D116-L120 WeakPolarHBondContact O-CG 3.48Å; D116-L120 PolarHBondContact O-N 2.89Å; L117-L120 PolarHBondContact O-N 3.11Å; L120-L123 PolarHBondContact O-N 3.29Å; L120-L124 HydrophobicContact CD2-CD1 4.28Å; L120-L124 VanDerWaalsContact O-CB 3.29Å; L120-L124 WeakPolarHBondContact O-CB 3.35Å; L120-L124 WeakPolarHBondContact O-CG 3.17Å; L120-L124 PolarHBondContact O-N 2.96Å; L120-A158 HydrophobicContact CD1-CB 3.92Å; L120-Y161 HydrophobicContact CB-CE1 4.36Å |
| 121 | R | 92.4 | Very high | 85.7 | Confident | 113 Ų | 113 | 71.7 Ų | 71.7 | 43% | 0.426 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 175.1 | -76.1 | 169.5 | -178.5 | -93.1 | 5.3 | 110.7 | L117 P118 E119 L123 L124 E125 Y161 | L117-R121 WeakPolarHBondContact O-CB 3.34Å; L117-R121 VanDerWaalsContact O-CG 3.28Å; L117-R121 WeakPolarHBondContact O-CG 3.24Å; L117-R121 PolarHBondContact O-N 2.67Å; P118-R121 PolarHBondContact O-N 3.11Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 3.13Å; R121-L123 VanDerWaalsContact C-N 3.28Å; R121-L123 PolarHBondContact O-N 3.45Å; R121-L124 PolarHBondContact O-N 3.37Å; R121-E125 IonicContact NH1-OE1 3.55Å; R121-E125 WeakPolarHBondContact O-CA 3.26Å; R121-E125 WeakPolarHBondContact O-CB 3.42Å; R121-E125 VanDerWaalsContact O-CG 3.23Å; R121-E125 WeakPolarHBondContact O-CG 3.42Å; R121-E125 PolarHBondContact O-N 2.94Å; R121-Y161 HydrophobicContact CG-CD2 4.48Å; R121-Y161 HydrophobicContact CG-CE1 4.19Å; R121-Y161 HydrophobicContact CG-CE2 3.68Å; R121-Y161 WeakPolarHBondContact CG-OH 3.31Å |
| 122 | R | 90.8 | Very high | 84.1 | Confident | 158 Ų | 158 | 76.5 Ų | 76.5 | 60% | 0.596 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.7 | -36.7 | 179.7 | -170.2 | 179.5 | 72.1 | 110.9 | -4.4 | 113.3 | P118 E119 | P118-R122 WeakPolarHBondContact O-CB 3.36Å; P118-R122 PolarHBondContact O-N 3.39Å; E119-R122 PolarHBondContact O-N 3.33Å; E119-R122 IonicContact OE1-CZ 3.09Å; E119-R122 IonicContact OE1-NE 2.67Å; E119-R122 IonicContact OE1-NH2 3.46Å; E119-R122 PolarHBondContact OE1-NH2 3.29Å; E119-R122 IonicContact OE2-CZ 2.82Å; E119-R122 IonicContact OE2-NE 3.81Å; E119-R122 PolarHBondContact OE2-NE 2.97Å; E119-R122 IonicContact OE2-NH2 3.2Å; E119-R122 PolarHBondContact OE2-NH2 3.26Å |
| 123 | L | 90.8 | Very high | 83.2 | Confident | 14 Ų | 14 | 78 Ų | 78 | 7% | 0.073 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -81.4 | -34.1 | -178.6 | -64 | 172.9 | 0 | 0 | 0 | 113.1 | M104 R107 I108 A111 E119 L120 R121 G134 | M104-L123 HydrophobicContact CE-CD2 4.49Å; M104-L123 HydrophobicContact SD-CD2 3.67Å; R107-L123 HydrophobicContact CB-CD1 4.01Å; I108-L123 HydrophobicContact CG1-CB 3.92Å; I108-L123 HydrophobicContact CG1-CD1 3.94Å; A111-L123 HydrophobicContact CB-CD1 4.43Å; E119-L123 HydrophobicContact CG-CD1 3.91Å; E119-L123 HydrophobicContact CG-CG 4.33Å; E119-L123 VanDerWaalsContact O-CG 3.26Å; E119-L123 WeakPolarHBondContact O-CG 3.31Å; E119-L123 PolarHBondContact O-N 2.81Å; L120-L123 PolarHBondContact O-N 3.29Å; R121-L123 VanDerWaalsContact C-N 3.28Å; R121-L123 PolarHBondContact O-N 3.45Å; L123-G134 WeakPolarHBondContact O-CA 3.47Å; L123-G134 PolarHBondContact O-N 2.79Å |
| 124 | L | 90.1 | Very high | 82.5 | Confident | 19 Ų | 19 | 73.4 Ų | 73.4 | 10% | 0.099 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -94.1 | -27.9 | -175.9 | -66.1 | 173.3 | 0 | 0 | 0 | 113.4 | I108 L120 R121 G134 I136 Y161 L162 | I108-L124 HydrophobicContact CD1-CD2 4.26Å; I108-L124 HydrophobicContact CG2-CD2 4.25Å; L120-L124 HydrophobicContact CD2-CD1 4.28Å; L120-L124 VanDerWaalsContact O-CB 3.29Å; L120-L124 WeakPolarHBondContact O-CB 3.35Å; L120-L124 WeakPolarHBondContact O-CG 3.17Å; L120-L124 PolarHBondContact O-N 2.96Å; R121-L124 PolarHBondContact O-N 3.37Å; L124-G134 WeakPolarHBondContact CD2-O 3.33Å; L124-I136 HydrophobicContact CD1-CG1 4.34Å; L124-I136 HydrophobicContact CD2-CB 4.1Å; L124-I136 HydrophobicContact CD2-CG1 4.47Å; L124-Y161 HydrophobicContact CD1-CE1 4.08Å; L124-L162 HydrophobicContact CD1-CD2 3.72Å |
| 125 | E | 86.6 | Confident | 82.2 | Confident | 67 Ų | 67 | 72.7 Ų | 72.7 | 31% | 0.313 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -77.6 | 138.1 | 177 | -66.3 | 177.1 | -178.7 | 0 | 0 | 110.4 | R121 H127 Y161 R165 | R121-E125 IonicContact NH1-OE1 3.55Å; R121-E125 WeakPolarHBondContact O-CA 3.26Å; R121-E125 WeakPolarHBondContact O-CB 3.42Å; R121-E125 VanDerWaalsContact O-CG 3.23Å; R121-E125 WeakPolarHBondContact O-CG 3.42Å; R121-E125 PolarHBondContact O-N 2.94Å; E125-H127 PolarHBondContact O-N 3.2Å; E125-Y161 PolarHBondContact OE1-OH 3.16Å; E125-R165 VanDerWaalsContact CD-NH2 3.26Å; E125-R165 VanDerWaalsContact CG-NH2 3.29Å; E125-R165 IonicContact OE1-CZ 3.73Å; E125-R165 IonicContact OE1-NH2 2.72Å; E125-R165 PolarHBondContact OE1-NH2 2.99Å |
| 126 | P | 80.1 | Confident | 82.1 | Confident | 72 Ų | 72 | 73.3 Ų | 73.3 | 47% | 0.468 | 44% | 0.437 | S | S | . | . | trans | -67 | 122.6 | 175 | 30 | -34.6 | 0 | 0 | 0 | 109.2 | E128 G131 | P126-E128 PolarHBondContact O-N 3.36Å; P126-G131 WeakPolarHBondContact CB-O 3.47Å | ||
| 127 | H | 70.8 | Confident | 81.9 | Confident | 178 Ų | 178 | 73 Ų | 73 | 82% | 0.824 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -66.6 | -21.6 | 178 | -170.6 | -75.8 | 0 | 0 | 0 | 112.2 | E125 | E125-H127 PolarHBondContact O-N 3.2Š|
| 128 | E | 71.3 | Confident | 81.7 | Confident | 142 Ų | 142 | 70.9 Ų | 70.9 | 66% | 0.664 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -130.8 | 149.9 | -177.7 | -62.6 | -177.4 | 178.7 | 0 | 0 | 110.9 | P126 G130 G131 | P126-E128 PolarHBondContact O-N 3.36Å; E128-G130 PolarHBondContact O-N 3.38Å; E128-G131 PolarHBondContact O-N 2.99Å |
| 129 | A | 58.2 | Low | 81.6 | Confident | 119 Ų | 119 | 72.5 Ų | 72.5 | 98% | 0.983 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 93.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 130 | G | 58.3 | Low | 81.6 | Confident | 82 Ų | 82 | 73.1 Ų | 73.1 | 85% | 0.845 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.8 | -2.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E128 | E128-G130 PolarHBondContact O-N 3.38Š|
| 131 | G | 62.7 | Low | 81.5 | Confident | 36 Ų | 36 | 77.2 Ų | 77.2 | 37% | 0.371 | 46% | 0.458 | S | S | . | . | trans | -68.3 | 143 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P126 E128 G133 | P126-G131 WeakPolarHBondContact CB-O 3.47Å; E128-G131 PolarHBondContact O-N 2.99Å; G131-G133 PolarHBondContact O-N 2.92Å | ||
| 132 | A | 63 | Low | 81.4 | Confident | 105 Ų | 105 | 77.8 Ų | 77.8 | 87% | 0.868 | 46% | 0.464 | S | S | * | . | trans | -75.9 | 113.5 | 166 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 133 | G | 76.2 | Confident | 81.4 | Confident | 32 Ų | 32 | 76 Ų | 76 | 33% | 0.33 | 46% | 0.457 | S | S | . | . | trans | -62.3 | 167.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G131 | G131-G133 PolarHBondContact O-N 2.92Š| ||
| 134 | G | 82.7 | Confident | 81.6 | Confident | 21 Ų | 21 | 76.8 Ų | 76.8 | 22% | 0.216 | 46% | 0.459 | C | S | . | . | trans | -55.9 | 146.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | L123 L124 I136 | L123-G134 WeakPolarHBondContact O-CA 3.47Å; L123-G134 PolarHBondContact O-N 2.79Å; L124-G134 WeakPolarHBondContact CD2-O 3.33Å; G134-I136 PolarHBondContact O-N 2.82Å; G134-I136 VanDerWaalsContact O-N 3.1Å | ||
| 135 | N | 88.3 | Confident | 81.8 | Confident | 100 Ų | 100 | 76.1 Ų | 76.1 | 54% | 0.535 | 46% | 0.455 | S | S | . | . | trans | -68.1 | 110.8 | 179 | -178.4 | 0.4 | 0 | 0 | 0 | 110.3 | N137 A138 | N135-N137 PolarHBondContact O-N 2.62Å; N135-N137 WeakPolarHBondContact OD1-CA 3.2Å; N135-N137 PolarHBondContact OD1-N 2.89Å; N135-A138 HydrophobicContact CB-CB 4.21Å; N135-A138 VanDerWaalsContact O-CB 3.24Å; N135-A138 WeakPolarHBondContact O-CB 3.41Å; N135-A138 PolarHBondContact O-N 2.97Å; N135-A138 VanDerWaalsContact O-N 3.07Å | ||
| 136 | I | 91.6 | Very high | 82.2 | Confident | 30 Ų | 30 | 72.9 Ų | 72.9 | 15% | 0.154 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.1 | 178.2 | -167.7 | 164.4 | 0 | 0 | 0 | 113.2 | L124 G134 P146 L162 R165 A167 | L124-I136 HydrophobicContact CD1-CG1 4.34Å; L124-I136 HydrophobicContact CD2-CB 4.1Å; L124-I136 HydrophobicContact CD2-CG1 4.47Å; G134-I136 PolarHBondContact O-N 2.82Å; G134-I136 VanDerWaalsContact O-N 3.1Å; I136-P146 WeakPolarHBondContact O-CD 3.43Å; I136-P146 WeakPolarHBondContact O-CG 3.5Å; I136-L162 HydrophobicContact CD1-CD2 4.18Å; I136-L162 HydrophobicContact CG1-CD2 3.96Å; I136-R165 HydrophobicContact CD1-CB 3.39Å; I136-A167 HydrophobicContact CD1-CB 3.96Å; I136-A167 HydrophobicContact CG1-CB 4Å |
| 137 | N | 92.2 | Very high | 83 | Confident | 55 Ų | 55 | 69.6 Ų | 69.6 | 29% | 0.294 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 26.8 | 178.7 | -61.3 | -45 | 0 | 0 | 0 | 111.5 | N135 A168 | N135-N137 PolarHBondContact O-N 2.62Å; N135-N137 WeakPolarHBondContact OD1-CA 3.2Å; N135-N137 PolarHBondContact OD1-N 2.89Å; N137-A168 WeakPolarHBondContact OD1-CB 3.41Å; N137-A168 PolarHBondContact OD1-N 3.1Å |
| 138 | A | 90.9 | Very high | 84.2 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.033 | 38% | 0.38 | C | S | . | . | trans | -58.2 | 146.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T105 N135 P146 | T105-A138 HydrophobicContact CG2-CB 3.71Å; N135-A138 HydrophobicContact CB-CB 4.21Å; N135-A138 VanDerWaalsContact O-CB 3.24Å; N135-A138 WeakPolarHBondContact O-CB 3.41Å; N135-A138 PolarHBondContact O-N 2.97Å; N135-A138 VanDerWaalsContact O-N 3.07Å; A138-P146 VanDerWaalsContact O-CD 3.31Å; A138-P146 WeakPolarHBondContact O-CD 3.41Å | ||
| 139 | R | 92.1 | Very high | 85.4 | Confident | 131 Ų | 131 | 55.1 Ų | 55.1 | 49% | 0.494 | 35% | 0.353 | S | S | . | . | trans | -131.3 | 138.4 | -176.8 | -73.8 | -176.6 | -68.6 | -162 | -0.3 | 110.6 | W143 W144 T145 | R139-W143 VanDerWaalsContact CZ-CE3 3.41Å; R139-W144 WeakPolarHBondContact CA-O 3.26Å; R139-T145 HydrophobicContact CG-CG2 3.82Å | ||
| 140 | D | 91.2 | Very high | 87.2 | Confident | 57 Ų | 57 | 49.4 Ų | 49.4 | 31% | 0.305 | 31% | 0.306 | S | S | . | . | trans | -82.2 | -174.1 | 170.1 | 74.5 | -3.3 | 0 | 0 | 0 | 112.4 | L109 F142 W143 W144 | L109-D140 HydrophobicContact CD1-CB 3.66Å; D140-F142 PolarHBondContact O-N 3.29Å; D140-F142 VanDerWaalsContact O-N 3.13Å; D140-F142 VanDerWaalsContact OD1-C 3.29Å; D140-F142 WeakPolarHBondContact OD1-CA 3.23Å; D140-F142 PolarHBondContact OD1-N 2.71Å; D140-W143 PolarHBondContact O-N 3.41Å; D140-W143 PolarHBondContact OD1-N 2.91Å; D140-W144 PolarHBondContact N-O 2.98Å; D140-W144 WeakPolarHBondContact OD1-CB 3.12Å; D140-W144 PolarHBondContact OD1-N 3.4Å | ||
| 141 | A | 90.7 | Very high | 89 | Confident | 87 Ų | 87 | 45.5 Ų | 45.5 | 72% | 0.719 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 142 | F | 90.3 | Very high | 90.6 | Very high | 125 Ų | 125 | 49.8 Ų | 49.8 | 55% | 0.548 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 9.9 | 178.8 | -60.4 | -75.6 | 0 | 0 | 0 | 112.4 | D140 W144 L175 | D140-F142 PolarHBondContact O-N 3.29Å; D140-F142 VanDerWaalsContact O-N 3.13Å; D140-F142 VanDerWaalsContact OD1-C 3.29Å; D140-F142 WeakPolarHBondContact OD1-CA 3.23Å; D140-F142 PolarHBondContact OD1-N 2.71Å; F142-W144 VanDerWaalsContact CB-CD1 3.4Å; F142-W144 PolarHBondContact O-N 3.21Å; F142-L175 HydrophobicContact CD1-CD2 4.41Å; F142-L175 PolarHBondContact O-N 3.2Å |
| 143 | W | 91.8 | Very high | 92.2 | Very high | 121 Ų | 121 | 46.3 Ų | 46.3 | 46% | 0.458 | 24% | 0.242 | S | C | . | . | trans | 66.1 | 20.9 | -177.8 | -58.2 | 76.2 | 0 | 0 | 0 | 114.5 | R139 D140 T145 | R139-W143 VanDerWaalsContact CZ-CE3 3.41Å; D140-W143 PolarHBondContact O-N 3.41Å; D140-W143 PolarHBondContact OD1-N 2.91Å; W143-T145 PolarHBondContact O-N 2.87Å | ||
| 144 | W | 94.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 11% | 0.114 | 24% | 0.236 | C | C | . | . | trans | -71.5 | 126.2 | 175.9 | -74.9 | 61.9 | 0 | 0 | 0 | 110.4 | L109 R139 D140 F142 M148 R152 E174 L183 | L109-W144 WeakPolarHBondContact CD2-O 3.5Å; R139-W144 WeakPolarHBondContact CA-O 3.26Å; D140-W144 PolarHBondContact N-O 2.98Å; D140-W144 WeakPolarHBondContact OD1-CB 3.12Å; D140-W144 PolarHBondContact OD1-N 3.4Å; F142-W144 VanDerWaalsContact CB-CD1 3.4Å; F142-W144 PolarHBondContact O-N 3.21Å; W144-M148 HydrophobicContact CE3-CB 3.82Å; W144-M148 HydrophobicContact CZ3-CB 4.11Å; W144-R152 HydrophobicContact CH2-CB 4.29Å; W144-R152 HydrophobicContact CH2-CG 4.41Å; W144-R152 VanDerWaalsContact CZ2-NH1 3.26Å; W144-R152 HydrophobicContact CZ3-CB 3.97Å; W144-R152 HydrophobicContact CZ3-CG 4.47Å; W144-E174 HydrophobicContact CZ2-CG 4.49Å; W144-L183 HydrophobicContact CH2-CD1 3.68Å; W144-L183 HydrophobicContact CH2-CD2 3.87Å; W144-L183 HydrophobicContact CH2-CG 4.32Å; W144-L183 HydrophobicContact CZ2-CD1 4.26Å; W144-L183 HydrophobicContact CZ2-CD2 4.24Å; W144-L183 HydrophobicContact CZ3-CD1 3.94Å | ||
| 145 | T | 95.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | trans | -92.4 | 160.1 | 170.6 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | L109 R139 W143 L147 M148 C149 V172 | L109-T145 VanDerWaalsContact CD2-C 3.47Å; R139-T145 HydrophobicContact CG-CG2 3.82Å; W143-T145 PolarHBondContact O-N 2.87Å; T145-L147 PolarHBondContact O-N 3.24Å; T145-L147 VanDerWaalsContact O-N 3.16Å; T145-M148 HydrophobicContact CG2-SD 4.35Å; T145-M148 WeakPolarHBondContact O-CB 3.48Å; T145-M148 PolarHBondContact O-N 3.38Å; T145-M148 VanDerWaalsContact OG1-CG 3.27Å; T145-M148 WeakPolarHBondContact OG1-CG 3.39Å; T145-M148 PolarHBondContact OG1-N 2.86Å; T145-M148 PolarHBondContact OG1-SD 3.2Å; T145-C149 PolarHBondContact O-N 3.09Å; T145-V172 HydrophobicContact CG2-CG1 3.78Å | ||
| 146 | P | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -53.5 | -36.5 | 172.9 | -27.8 | 36 | 0 | 0 | 0 | 112 | I108 L109 A112 I136 A138 C149 A150 L162 | I108-P146 HydrophobicContact CG2-CB 4.06Å; I108-P146 HydrophobicContact CG2-CG 3.55Å; L109-P146 HydrophobicContact CD2-CB 4.44Å; L109-P146 HydrophobicContact CD2-CG 3.9Å; A112-P146 HydrophobicContact CB-CB 3.89Å; A112-P146 VanDerWaalsContact CB-O 3.27Å; A112-P146 WeakPolarHBondContact CB-O 3.39Å; I136-P146 WeakPolarHBondContact O-CD 3.43Å; I136-P146 WeakPolarHBondContact O-CG 3.5Å; A138-P146 VanDerWaalsContact O-CD 3.31Å; A138-P146 WeakPolarHBondContact O-CD 3.41Å; P146-C149 PolarHBondContact O-N 3.18Å; P146-A150 WeakPolarHBondContact O-CB 3.31Å; P146-A150 PolarHBondContact O-N 3.13Å; P146-L162 HydrophobicContact CB-CD1 3.96Å; P146-L162 HydrophobicContact CB-CD2 4.15Å |
| 147 | L | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 176.4 | -174.5 | 66.3 | 0 | 0 | 0 | 112.2 | T145 A150 A151 V159 L162 L163 W169 A180 | T145-L147 PolarHBondContact O-N 3.24Å; T145-L147 VanDerWaalsContact O-N 3.16Å; L147-A150 PolarHBondContact O-N 3.16Å; L147-A151 WeakPolarHBondContact O-CB 3.39Å; L147-A151 PolarHBondContact O-N 3.39Å; L147-V159 HydrophobicContact CD1-CB 4.43Å; L147-V159 HydrophobicContact CD1-CG1 4Å; L147-V159 HydrophobicContact CD1-CG2 4.35Å; L147-L162 HydrophobicContact CB-CD1 4.49Å; L147-L162 HydrophobicContact CD1-CB 4.25Å; L147-L163 HydrophobicContact CD1-CD1 4.4Å; L147-L163 HydrophobicContact CD1-CD2 4.04Å; L147-L163 HydrophobicContact CD1-CG 3.92Å; L147-L163 HydrophobicContact CD2-CD2 3.83Å; L147-W169 HydrophobicContact CD2-CB 3.42Å; L147-W169 VanDerWaalsContact CD2-CB 3.42Å; L147-A180 HydrophobicContact CD2-CB 4.24Å; L147-A180 HydrophobicContact CG-CB 4.12Å |
| 148 | M | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 176.4 | -70 | 165 | 171.1 | 0 | 0 | 112.1 | W144 T145 A151 R152 V172 C173 E174 A180 L183 | W144-M148 HydrophobicContact CE3-CB 3.82Å; W144-M148 HydrophobicContact CZ3-CB 4.11Å; T145-M148 HydrophobicContact CG2-SD 4.35Å; T145-M148 WeakPolarHBondContact O-CB 3.48Å; T145-M148 PolarHBondContact O-N 3.38Å; T145-M148 VanDerWaalsContact OG1-CG 3.27Å; T145-M148 WeakPolarHBondContact OG1-CG 3.39Å; T145-M148 PolarHBondContact OG1-N 2.86Å; T145-M148 PolarHBondContact OG1-SD 3.2Å; M148-A151 PolarHBondContact O-N 3.03Å; M148-R152 WeakPolarHBondContact O-CB 3.19Å; M148-R152 PolarHBondContact O-N 3.18Å; M148-V172 HydrophobicContact CE-CB 4.45Å; M148-V172 HydrophobicContact CE-CG1 3.89Å; M148-V172 WeakPolarHBondContact CE-O 3.27Å; M148-C173 VanDerWaalsContact CE-C 3.46Å; M148-E174 HydrophobicContact CE-CB 4.42Å; M148-E174 HydrophobicContact SD-CB 4.08Å; M148-A180 HydrophobicContact CG-CB 4.01Å; M148-L183 HydrophobicContact CB-CD1 3.81Å; M148-L183 HydrophobicContact CG-CD1 3.83Å; M148-L183 HydrophobicContact SD-CD1 4.44Å |
| 149 | C | 95.8 | Very high | 94.8 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 10% | 0.095 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 175.2 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | A112 Q113 T145 P146 A153 | A112-C149 HydrophobicContact CB-CB 4.25Å; Q113-C149 HydrophobicContact CB-CB 4.24Å; T145-C149 PolarHBondContact O-N 3.09Å; P146-C149 PolarHBondContact O-N 3.18Å; C149-A153 VanDerWaalsContact O-CB 3.29Å; C149-A153 WeakPolarHBondContact O-CB 3.31Å; C149-A153 PolarHBondContact O-N 3.26Å; C149-A153 VanDerWaalsContact O-N 3.11Å |
| 150 | A | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A112 P146 L147 A153 G154 Q155 A158 V159 L162 | A112-A150 HydrophobicContact CB-CB 4.3Å; A112-A150 WeakPolarHBondContact O-CA 3.47Å; A112-A150 WeakPolarHBondContact O-CB 3.45Å; P146-A150 WeakPolarHBondContact O-CB 3.31Å; P146-A150 PolarHBondContact O-N 3.13Å; L147-A150 PolarHBondContact O-N 3.16Å; A150-A153 PolarHBondContact O-N 3.46Å; A150-G154 PolarHBondContact O-N 2.96Å; A150-G154 VanDerWaalsContact O-N 3.14Å; A150-Q155 HydrophobicContact CB-CB 4.31Å; A150-Q155 PolarHBondContact O-N 3.1Å; A150-A158 HydrophobicContact CB-CB 3.99Å; A150-V159 HydrophobicContact CB-CG2 3.71Å; A150-L162 HydrophobicContact CB-CD1 4.19Å |
| 151 | A | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -46.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L147 M148 A153 G154 V159 A180 A184 V192 | L147-A151 WeakPolarHBondContact O-CB 3.39Å; L147-A151 PolarHBondContact O-N 3.39Å; M148-A151 PolarHBondContact O-N 3.03Å; A151-A153 VanDerWaalsContact C-N 3.31Å; A151-A153 PolarHBondContact O-N 2.96Å; A151-G154 PolarHBondContact O-N 2.98Å; A151-V159 HydrophobicContact CB-CG2 4.44Å; A151-A180 HydrophobicContact CB-CB 4.16Å; A151-A180 VanDerWaalsContact CB-O 3.31Å; A151-A180 WeakPolarHBondContact CB-O 3.38Å; A151-A184 HydrophobicContact CB-CB 4.18Å; A151-A184 WeakPolarHBondContact O-CB 3.5Å; A151-V192 HydrophobicContact CB-CG1 4.27Å |
| 152 | R | 96.3 | Very high | 95.2 | Very high | 125 Ų | 125 | 33.4 Ų | 33.4 | 47% | 0.472 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.7 | -31.2 | 176.4 | -177.6 | 162.8 | -176.9 | -175.8 | 9.9 | 113.1 | W144 M148 G154 L183 A187 F189 | W144-R152 HydrophobicContact CH2-CB 4.29Å; W144-R152 HydrophobicContact CH2-CG 4.41Å; W144-R152 VanDerWaalsContact CZ2-NH1 3.26Å; W144-R152 HydrophobicContact CZ3-CB 3.97Å; W144-R152 HydrophobicContact CZ3-CG 4.47Å; M148-R152 WeakPolarHBondContact O-CB 3.19Å; M148-R152 PolarHBondContact O-N 3.18Å; R152-G154 VanDerWaalsContact C-N 3.29Å; R152-L183 HydrophobicContact CB-CB 4.42Å; R152-A187 HydrophobicContact CG-CB 4.16Å; R152-A187 VanDerWaalsContact O-CB 3.24Å; R152-A187 WeakPolarHBondContact O-CB 3.4Å; R152-F189 WeakPolarHBondContact O-CE2 3.47Å |
| 153 | A | 96.7 | Very high | 95.3 | Very high | 32 Ų | 32 | 28 Ų | 28 | 26% | 0.264 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q113 C149 A150 A151 Q155 | Q113-A153 HydrophobicContact CG-CB 4.27Å; Q113-A153 WeakPolarHBondContact O-CB 3.31Å; C149-A153 VanDerWaalsContact O-CB 3.29Å; C149-A153 WeakPolarHBondContact O-CB 3.31Å; C149-A153 PolarHBondContact O-N 3.26Å; C149-A153 VanDerWaalsContact O-N 3.11Å; A150-A153 PolarHBondContact O-N 3.46Å; A151-A153 VanDerWaalsContact C-N 3.31Å; A151-A153 PolarHBondContact O-N 2.96Å; A153-Q155 VanDerWaalsContact C-N 3.32Å; A153-Q155 HydrophobicContact CB-CG 3.8Å |
| 154 | G | 96.5 | Very high | 95.3 | Very high | 21 Ų | 21 | 24.5 Ų | 24.5 | 22% | 0.216 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 18.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A150 A151 R152 G156 F189 | A150-G154 PolarHBondContact O-N 2.96Å; A150-G154 VanDerWaalsContact O-N 3.14Å; A151-G154 PolarHBondContact O-N 2.98Å; R152-G154 VanDerWaalsContact C-N 3.29Å; G154-G156 VanDerWaalsContact C-N 3.33Å; G154-G156 PolarHBondContact O-N 2.97Å; G154-F189 VanDerWaalsContact CA-CG 3.46Å |
| 155 | Q | 97 | Very high | 95 | Very high | 62 Ų | 62 | 29 Ų | 29 | 29% | 0.29 | 17% | 0.172 | S | C | . | . | trans | -82 | 72.8 | -174 | -59.4 | -66.1 | -3.1 | 0 | 0 | 111.4 | Q113 E114 A150 A153 A157 A158 V159 | Q113-Q155 PolarHBondContact O-NE2 3.35Å; E114-Q155 PolarHBondContact O-NE2 2.92Å; E114-Q155 VanDerWaalsContact O-NE2 3.16Å; A150-Q155 HydrophobicContact CB-CB 4.31Å; A150-Q155 PolarHBondContact O-N 3.1Å; A153-Q155 VanDerWaalsContact C-N 3.32Å; A153-Q155 HydrophobicContact CB-CG 3.8Å; Q155-A157 PolarHBondContact O-N 3.39Å; Q155-A157 VanDerWaalsContact O-N 3.14Å; Q155-A158 HydrophobicContact CB-CB 3.9Å; Q155-A158 PolarHBondContact O-N 3.5Å; Q155-V159 WeakPolarHBondContact O-CG2 3.5Å; Q155-V159 PolarHBondContact O-N 2.85Å | ||
| 156 | G | 95.3 | Very high | 94.7 | Very high | 21 Ų | 21 | 29.9 Ų | 29.9 | 22% | 0.216 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.8 | -35.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G154 V159 S160 M195 | G154-G156 VanDerWaalsContact C-N 3.33Å; G154-G156 PolarHBondContact O-N 2.97Å; G156-V159 PolarHBondContact O-N 2.96Å; G156-S160 WeakPolarHBondContact O-CB 3.28Å; G156-S160 PolarHBondContact O-N 3.21Å; G156-S160 PolarHBondContact O-OG 2.94Å; G156-M195 VanDerWaalsContact O-SD 3.4Å |
| 157 | A | 95.4 | Very high | 94.5 | Very high | 59 Ų | 59 | 30 Ų | 30 | 49% | 0.488 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.2 | -40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L117 Q155 S160 Y161 | L117-A157 HydrophobicContact CD1-CB 3.96Å; Q155-A157 PolarHBondContact O-N 3.39Å; Q155-A157 VanDerWaalsContact O-N 3.14Å; A157-S160 PolarHBondContact O-N 2.97Å; A157-Y161 WeakPolarHBondContact O-CB 3.3Å; A157-Y161 PolarHBondContact O-N 3.4Å |
| 158 | A | 96 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.9 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L117 L120 A150 Q155 Y161 L162 | L117-A158 HydrophobicContact CD2-CB 4.23Å; L120-A158 HydrophobicContact CD1-CB 3.92Å; A150-A158 HydrophobicContact CB-CB 3.99Å; Q155-A158 HydrophobicContact CB-CB 3.9Å; Q155-A158 PolarHBondContact O-N 3.5Å; A158-Y161 PolarHBondContact O-N 3.02Å; A158-L162 WeakPolarHBondContact O-CB 3.15Å; A158-L162 VanDerWaalsContact O-CG 3.26Å; A158-L162 WeakPolarHBondContact O-CG 3.29Å; A158-L162 PolarHBondContact O-N 3.03Å |
| 159 | V | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -48.9 | 174 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | L147 A150 A151 Q155 G156 Y161 L162 L163 V192 M195 V196 | L147-V159 HydrophobicContact CD1-CB 4.43Å; L147-V159 HydrophobicContact CD1-CG1 4Å; L147-V159 HydrophobicContact CD1-CG2 4.35Å; A150-V159 HydrophobicContact CB-CG2 3.71Å; A151-V159 HydrophobicContact CB-CG2 4.44Å; Q155-V159 WeakPolarHBondContact O-CG2 3.5Å; Q155-V159 PolarHBondContact O-N 2.85Å; G156-V159 PolarHBondContact O-N 2.96Å; V159-Y161 VanDerWaalsContact C-N 3.3Å; V159-Y161 PolarHBondContact O-N 3.35Å; V159-L162 PolarHBondContact O-N 2.95Å; V159-L163 HydrophobicContact CG1-CD1 3.58Å; V159-L163 HydrophobicContact CG1-CG 4.32Å; V159-L163 WeakPolarHBondContact O-CB 3.45Å; V159-L163 VanDerWaalsContact O-CG 3.31Å; V159-L163 WeakPolarHBondContact O-CG 3.43Å; V159-L163 PolarHBondContact O-N 3.23Å; V159-V192 HydrophobicContact CB-CG1 4.36Å; V159-V192 HydrophobicContact CG1-CG1 4.31Å; V159-V192 HydrophobicContact CG2-CG1 3.76Å; V159-M195 HydrophobicContact CB-SD 4.09Å; V159-M195 HydrophobicContact CG1-CG 4.26Å; V159-M195 HydrophobicContact CG1-SD 3.74Å; V159-V196 HydrophobicContact CG1-CG2 3.74Å |
| 160 | S | 93.9 | Very high | 93.2 | Very high | 59 Ų | 59 | 39.4 Ų | 39.4 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.3 | -43.3 | 176 | -65.9 | 0 | 0 | 0 | 0 | 112 | G156 A157 G164 M195 | G156-S160 WeakPolarHBondContact O-CB 3.28Å; G156-S160 PolarHBondContact O-N 3.21Å; G156-S160 PolarHBondContact O-OG 2.94Å; A157-S160 PolarHBondContact O-N 2.97Å; S160-G164 PolarHBondContact O-N 3.29Å; S160-M195 PolarHBondContact OG-SD 3.13Å |
| 161 | Y | 94 | Very high | 92.7 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 9% | 0.09 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -47.5 | 178.5 | 177.6 | -102.3 | 0 | 0 | 0 | 112.4 | L117 L120 R121 L124 E125 A157 A158 V159 G164 R165 | L117-Y161 HydrophobicContact CD2-CG 4.45Å; L120-Y161 HydrophobicContact CB-CE1 4.36Å; R121-Y161 HydrophobicContact CG-CD2 4.48Å; R121-Y161 HydrophobicContact CG-CE1 4.19Å; R121-Y161 HydrophobicContact CG-CE2 3.68Å; R121-Y161 WeakPolarHBondContact CG-OH 3.31Å; L124-Y161 HydrophobicContact CD1-CE1 4.08Å; E125-Y161 PolarHBondContact OE1-OH 3.16Å; A157-Y161 WeakPolarHBondContact O-CB 3.3Å; A157-Y161 PolarHBondContact O-N 3.4Å; A158-Y161 PolarHBondContact O-N 3.02Å; V159-Y161 VanDerWaalsContact C-N 3.3Å; V159-Y161 PolarHBondContact O-N 3.35Å; Y161-G164 PolarHBondContact O-N 3.5Å; Y161-R165 HydrophobicContact CE1-CG 4.16Å; Y161-R165 HydrophobicContact CE2-CG 4.07Å; Y161-R165 WeakPolarHBondContact O-CG 3.4Å; Y161-R165 PolarHBondContact O-N 3.4Å; Y161-R165 PolarHBondContact OH-NE 3.21Å; Y161-R165 VanDerWaalsContact OH-NE 3.11Å |
| 162 | L | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -44.5 | -179.9 | -71.8 | 169.3 | 0 | 0 | 0 | 111.6 | A112 L124 I136 P146 L147 A150 A158 V159 R165 G166 A167 | A112-L162 HydrophobicContact CB-CD1 4.44Å; L124-L162 HydrophobicContact CD1-CD2 3.72Å; I136-L162 HydrophobicContact CD1-CD2 4.18Å; I136-L162 HydrophobicContact CG1-CD2 3.96Å; P146-L162 HydrophobicContact CB-CD1 3.96Å; P146-L162 HydrophobicContact CB-CD2 4.15Å; L147-L162 HydrophobicContact CB-CD1 4.49Å; L147-L162 HydrophobicContact CD1-CB 4.25Å; A150-L162 HydrophobicContact CB-CD1 4.19Å; A158-L162 WeakPolarHBondContact O-CB 3.15Å; A158-L162 VanDerWaalsContact O-CG 3.26Å; A158-L162 WeakPolarHBondContact O-CG 3.29Å; A158-L162 PolarHBondContact O-N 3.03Å; V159-L162 PolarHBondContact O-N 2.95Å; L162-R165 PolarHBondContact O-N 3.41Å; L162-G166 PolarHBondContact O-N 3.5Å; L162-A167 HydrophobicContact CB-CB 3.95Å; L162-A167 WeakPolarHBondContact O-CB 3.44Å; L162-A167 PolarHBondContact O-N 3.11Å |
| 163 | L | 93.2 | Very high | 92.2 | Very high | 11 Ų | 11 | 41 Ų | 41 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 176.6 | -68.6 | 172 | 0 | 0 | 0 | 111.7 | L147 V159 R165 G166 W169 V196 S199 | L147-L163 HydrophobicContact CD1-CD1 4.4Å; L147-L163 HydrophobicContact CD1-CD2 4.04Å; L147-L163 HydrophobicContact CD1-CG 3.92Å; L147-L163 HydrophobicContact CD2-CD2 3.83Å; V159-L163 HydrophobicContact CG1-CD1 3.58Å; V159-L163 HydrophobicContact CG1-CG 4.32Å; V159-L163 WeakPolarHBondContact O-CB 3.45Å; V159-L163 VanDerWaalsContact O-CG 3.31Å; V159-L163 WeakPolarHBondContact O-CG 3.43Å; V159-L163 PolarHBondContact O-N 3.23Å; L163-R165 PolarHBondContact O-N 2.76Å; L163-G166 PolarHBondContact O-N 3.26Å; L163-G166 VanDerWaalsContact O-N 3.12Å; L163-W169 HydrophobicContact CD2-CB 3.91Å; L163-W169 HydrophobicContact CD2-CG 3.82Å; L163-V196 HydrophobicContact CD1-CG2 4.27Å; L163-S199 VanDerWaalsContact CD1-OG 3.26Å; L163-S199 WeakPolarHBondContact CD1-OG 3.3Å |
| 164 | G | 91.3 | Very high | 92.1 | Very high | 48 Ų | 48 | 40.3 Ų | 40.3 | 50% | 0.495 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.4 | -23.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | S160 Y161 | S160-G164 PolarHBondContact O-N 3.29Å; Y161-G164 PolarHBondContact O-N 3.5Å |
| 165 | R | 88.2 | Confident | 91.9 | Very high | 125 Ų | 125 | 45 Ų | 45 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.3 | 175.2 | -72.6 | -71.2 | -165.9 | 178.6 | -4.1 | 114 | E125 I136 Y161 L162 L163 | E125-R165 VanDerWaalsContact CD-NH2 3.26Å; E125-R165 VanDerWaalsContact CG-NH2 3.29Å; E125-R165 IonicContact OE1-CZ 3.73Å; E125-R165 IonicContact OE1-NH2 2.72Å; E125-R165 PolarHBondContact OE1-NH2 2.99Å; I136-R165 HydrophobicContact CD1-CB 3.39Å; Y161-R165 HydrophobicContact CE1-CG 4.16Å; Y161-R165 HydrophobicContact CE2-CG 4.07Å; Y161-R165 WeakPolarHBondContact O-CG 3.4Å; Y161-R165 PolarHBondContact O-N 3.4Å; Y161-R165 PolarHBondContact OH-NE 3.21Å; Y161-R165 VanDerWaalsContact OH-NE 3.11Å; L162-R165 PolarHBondContact O-N 3.41Å; L163-R165 PolarHBondContact O-N 2.76Å |
| 166 | G | 88.3 | Confident | 91.6 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 23% | 0.227 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.2 | 27.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L162 L163 A168 | L162-G166 PolarHBondContact O-N 3.5Å; L163-G166 PolarHBondContact O-N 3.26Å; L163-G166 VanDerWaalsContact O-N 3.12Å; G166-A168 PolarHBondContact O-N 2.6Å |
| 167 | A | 91.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.033 | 31% | 0.31 | C | S | . | . | trans | -57.5 | 132.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I136 L162 W169 | I136-A167 HydrophobicContact CD1-CB 3.96Å; I136-A167 HydrophobicContact CG1-CB 4Å; L162-A167 HydrophobicContact CB-CB 3.95Å; L162-A167 WeakPolarHBondContact O-CB 3.44Å; L162-A167 PolarHBondContact O-N 3.11Å; A167-W169 PolarHBondContact O-N 3Å | ||
| 168 | A | 89.8 | Confident | 91.4 | Very high | 38 Ų | 38 | 47.2 Ų | 47.2 | 31% | 0.314 | 30% | 0.299 | S | S | . | . | trans | -72 | 115.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | N137 G166 V172 | N137-A168 WeakPolarHBondContact OD1-CB 3.41Å; N137-A168 PolarHBondContact OD1-N 3.1Å; G166-A168 PolarHBondContact O-N 2.6Å; A168-V172 HydrophobicContact CB-CG2 3.81Å | ||
| 169 | W | 86 | Confident | 91.3 | Very high | 71 Ų | 71 | 49.4 Ų | 49.4 | 27% | 0.269 | 31% | 0.311 | S | S | . | . | trans | -116.8 | -23.5 | -179.6 | 65.2 | -90.8 | 0 | 0 | 0 | 113 | L147 L163 A167 V196 S199 | L147-W169 HydrophobicContact CD2-CB 3.42Å; L147-W169 VanDerWaalsContact CD2-CB 3.42Å; L163-W169 HydrophobicContact CD2-CB 3.91Å; L163-W169 HydrophobicContact CD2-CG 3.82Å; A167-W169 PolarHBondContact O-N 3Å; W169-V196 HydrophobicContact CB-CG1 4.3Å; W169-V196 HydrophobicContact CE3-CG1 4.29Å; W169-S199 WeakPolarHBondContact CZ2-O 3.34Å | ||
| 170 | V | 86.1 | Confident | 91.3 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 64% | 0.642 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -83.1 | 124.1 | 178.2 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | V172 | V170-V172 PolarHBondContact O-N 3.23Š|
| 171 | G | 86.1 | Confident | 91.3 | Very high | 77 Ų | 77 | 47 Ų | 47 | 79% | 0.794 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 71.9 | 7.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 172 | V | 90.4 | Very high | 91.4 | Very high | 27 Ų | 27 | 49.5 Ų | 49.5 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | trans | -95.1 | 114.2 | 176.5 | -173 | 0 | 0 | 0 | 0 | 108.7 | T145 M148 A168 V170 | T145-V172 HydrophobicContact CG2-CG1 3.78Å; M148-V172 HydrophobicContact CE-CB 4.45Å; M148-V172 HydrophobicContact CE-CG1 3.89Å; M148-V172 WeakPolarHBondContact CE-O 3.27Å; A168-V172 HydrophobicContact CB-CG2 3.81Å; V170-V172 PolarHBondContact O-N 3.23Å | ||
| 173 | C | 92.9 | Very high | 91.5 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 37% | 0.365 | 31% | 0.307 | S | S | . | . | trans | -122 | 150.7 | 179.3 | -61.2 | 0 | 0 | 0 | 0 | 111 | M148 G177 R178 | M148-C173 VanDerWaalsContact CE-C 3.46Å; C173-G177 PolarHBondContact SG-O 3.42Å; C173-G177 VanDerWaalsContact SG-O 3.4Å; C173-R178 VanDerWaalsContact CA-O 3.26Å; C173-R178 WeakPolarHBondContact CA-O 3.44Å | ||
| 174 | E | 93.1 | Very high | 91.7 | Very high | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | trans | -78.8 | -179.1 | 170.3 | 60.4 | 67.4 | -131.2 | 0 | 0 | 111.6 | W144 M148 S176 G177 R178 L183 | W144-E174 HydrophobicContact CZ2-CG 4.49Å; M148-E174 HydrophobicContact CE-CB 4.42Å; M148-E174 HydrophobicContact SD-CB 4.08Å; E174-S176 VanDerWaalsContact C-N 3.3Å; E174-S176 PolarHBondContact O-N 2.74Å; E174-S176 WeakPolarHBondContact OE1-CA 3.29Å; E174-S176 VanDerWaalsContact OE1-CB 3.26Å; E174-S176 WeakPolarHBondContact OE1-CB 3.39Å; E174-S176 PolarHBondContact OE1-N 3.01Å; E174-S176 PolarHBondContact OE1-OG 3.04Å; E174-S176 PolarHBondContact OE2-N 3.07Å; E174-S176 PolarHBondContact OE2-OG 2.95Å; E174-S176 VanDerWaalsContact OE2-OG 3.05Å; E174-G177 WeakPolarHBondContact O-CA 3.35Å; E174-G177 PolarHBondContact O-N 3.05Å; E174-G177 PolarHBondContact OE1-N 3.23Å; E174-G177 VanDerWaalsContact OE1-N 3.13Å; E174-R178 HydrophobicContact CG-CB 4.32Å; E174-R178 PolarHBondContact N-O 3.33Å; E174-R178 WeakPolarHBondContact OE1-CB 3.29Å; E174-R178 PolarHBondContact OE1-N 3.07Å; E174-R178 IonicContact OE1-NE 2.82Å; E174-L183 HydrophobicContact CG-CD1 4.1Å; E174-L183 HydrophobicContact CG-CD2 4.42Å | ||
| 175 | L | 92.5 | Very high | 91.9 | Very high | 121 Ų | 121 | 50.8 Ų | 50.8 | 63% | 0.634 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -31.1 | -173.9 | -173.2 | 62.4 | 0 | 0 | 0 | 115.3 | F142 G177 | F142-L175 HydrophobicContact CD1-CD2 4.41Å; F142-L175 PolarHBondContact O-N 3.2Å; L175-G177 VanDerWaalsContact C-N 3.28Å |
| 176 | S | 91.8 | Very high | 92.3 | Very high | 74 Ų | 74 | 50.2 Ų | 50.2 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 5.7 | 171.8 | 65.4 | 0 | 0 | 0 | 0 | 114.3 | E174 R178 | E174-S176 VanDerWaalsContact C-N 3.3Å; E174-S176 PolarHBondContact O-N 2.74Å; E174-S176 WeakPolarHBondContact OE1-CA 3.29Å; E174-S176 VanDerWaalsContact OE1-CB 3.26Å; E174-S176 WeakPolarHBondContact OE1-CB 3.39Å; E174-S176 PolarHBondContact OE1-N 3.01Å; E174-S176 PolarHBondContact OE1-OG 3.04Å; E174-S176 PolarHBondContact OE2-N 3.07Å; E174-S176 PolarHBondContact OE2-OG 2.95Å; E174-S176 VanDerWaalsContact OE2-OG 3.05Å; S176-R178 PolarHBondContact OG-NE 3.35Å; S176-R178 VanDerWaalsContact OG-NE 3.1Å; S176-R178 PolarHBondContact OG-NH2 3.11Å |
| 177 | G | 92.9 | Very high | 92.6 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 45% | 0.454 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 85.9 | 8.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | C173 E174 L175 | C173-G177 PolarHBondContact SG-O 3.42Å; C173-G177 VanDerWaalsContact SG-O 3.4Å; E174-G177 WeakPolarHBondContact O-CA 3.35Å; E174-G177 PolarHBondContact O-N 3.05Å; E174-G177 PolarHBondContact OE1-N 3.23Å; E174-G177 VanDerWaalsContact OE1-N 3.13Å; L175-G177 VanDerWaalsContact C-N 3.28Å |
| 178 | R | 92.9 | Very high | 92.9 | Very high | 69 Ų | 69 | 53.5 Ų | 53.5 | 26% | 0.26 | 33% | 0.333 | S | S | . | . | trans | -86.5 | 138.5 | -178.4 | -66.6 | 178.2 | -73.2 | -163.1 | 0.5 | 112.5 | C173 E174 S176 Q182 L183 E186 | C173-R178 VanDerWaalsContact CA-O 3.26Å; C173-R178 WeakPolarHBondContact CA-O 3.44Å; E174-R178 HydrophobicContact CG-CB 4.32Å; E174-R178 PolarHBondContact N-O 3.33Å; E174-R178 WeakPolarHBondContact OE1-CB 3.29Å; E174-R178 PolarHBondContact OE1-N 3.07Å; E174-R178 IonicContact OE1-NE 2.82Å; S176-R178 PolarHBondContact OG-NE 3.35Å; S176-R178 VanDerWaalsContact OG-NE 3.1Å; S176-R178 PolarHBondContact OG-NH2 3.11Å; R178-Q182 HydrophobicContact CB-CB 4.3Å; R178-L183 HydrophobicContact CB-CD2 4.01Å; R178-L183 HydrophobicContact CB-CG 4.1Å; R178-E186 WeakPolarHBondContact CD-OE1 3.48Å; R178-E186 WeakPolarHBondContact CD-OE2 3.49Å; R178-E186 IonicContact CZ-OE1 3.5Å; R178-E186 IonicContact CZ-OE2 2.78Å; R178-E186 VanDerWaalsContact CZ-OE2 3.24Å; R178-E186 IonicContact NE-OE1 2.92Å; R178-E186 IonicContact NE-OE2 2.62Å; R178-E186 IonicContact NH1-OE1 3.29Å; R178-E186 PolarHBondContact NH1-OE1 3.05Å; R178-E186 IonicContact NH1-OE2 3.95Å; R178-E186 PolarHBondContact NH1-OE2 3.25Å | ||
| 179 | D | 94.2 | Very high | 93.2 | Very high | 48 Ų | 48 | 55.5 Ų | 55.5 | 26% | 0.257 | 33% | 0.334 | S | S | . | . | trans | -82.5 | 170.4 | 172.4 | 69.2 | 31.3 | 0 | 0 | 0 | 111.5 | A181 Q182 L183 | D179-A181 PolarHBondContact O-N 2.93Å; D179-A181 WeakPolarHBondContact OD1-CA 3.33Å; D179-A181 WeakPolarHBondContact OD1-CB 3.48Å; D179-A181 PolarHBondContact OD1-N 3.4Å; D179-Q182 PolarHBondContact O-N 2.95Å; D179-Q182 WeakPolarHBondContact OD1-CB 3.33Å; D179-Q182 VanDerWaalsContact OD1-CG 3.31Å; D179-Q182 WeakPolarHBondContact OD1-CG 3.37Å; D179-Q182 PolarHBondContact OD1-N 3.1Å; D179-L183 VanDerWaalsContact O-CG 3.31Å; D179-L183 WeakPolarHBondContact O-CG 3.18Å; D179-L183 PolarHBondContact O-N 3.38Å; D179-L183 VanDerWaalsContact O-N 3.09Å | ||
| 180 | A | 95 | Very high | 93.6 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.2 | -30.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L147 M148 A151 A184 V196 | L147-A180 HydrophobicContact CD2-CB 4.24Å; L147-A180 HydrophobicContact CG-CB 4.12Å; M148-A180 HydrophobicContact CG-CB 4.01Å; A151-A180 HydrophobicContact CB-CB 4.16Å; A151-A180 VanDerWaalsContact CB-O 3.31Å; A151-A180 WeakPolarHBondContact CB-O 3.38Å; A180-A184 PolarHBondContact O-N 3.4Å; A180-V196 HydrophobicContact CB-CG1 4.38Å |
| 181 | A | 94.9 | Very high | 94.1 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -73.5 | -42.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D179 L183 A184 E185 A193 V196 R197 | D179-A181 PolarHBondContact O-N 2.93Å; D179-A181 WeakPolarHBondContact OD1-CA 3.33Å; D179-A181 WeakPolarHBondContact OD1-CB 3.48Å; D179-A181 PolarHBondContact OD1-N 3.4Å; A181-L183 VanDerWaalsContact C-N 3.34Å; A181-A184 WeakPolarHBondContact O-CB 3.46Å; A181-A184 PolarHBondContact O-N 2.81Å; A181-E185 WeakPolarHBondContact O-CG 2.94Å; A181-E185 PolarHBondContact O-N 3.23Å; A181-A193 HydrophobicContact CB-CB 4.36Å; A181-A193 WeakPolarHBondContact O-CB 3.31Å; A181-V196 HydrophobicContact CB-CB 4.37Å; A181-V196 HydrophobicContact CB-CG1 4.27Å; A181-R197 HydrophobicContact CB-CG 4Å |
| 182 | Q | 95.3 | Very high | 94.6 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 36% | 0.36 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.4 | -72.1 | 175.2 | -10.1 | 0 | 0 | 111.1 | R178 D179 A184 E185 E186 | R178-Q182 HydrophobicContact CB-CB 4.3Å; D179-Q182 PolarHBondContact O-N 2.95Å; D179-Q182 WeakPolarHBondContact OD1-CB 3.33Å; D179-Q182 VanDerWaalsContact OD1-CG 3.31Å; D179-Q182 WeakPolarHBondContact OD1-CG 3.37Å; D179-Q182 PolarHBondContact OD1-N 3.1Å; Q182-A184 VanDerWaalsContact C-N 3.29Å; Q182-A184 PolarHBondContact O-N 3.4Å; Q182-E185 PolarHBondContact O-N 3.13Å; Q182-E186 WeakPolarHBondContact O-CB 3.18Å; Q182-E186 VanDerWaalsContact O-CG 3.31Å; Q182-E186 WeakPolarHBondContact O-CG 3.34Å; Q182-E186 PolarHBondContact O-N 2.96Å |
| 183 | L | 95.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63 | -35.3 | 175.2 | -68.5 | 172.3 | 0 | 0 | 0 | 112.6 | W144 M148 R152 E174 R178 D179 A181 A187 | W144-L183 HydrophobicContact CH2-CD1 3.68Å; W144-L183 HydrophobicContact CH2-CD2 3.87Å; W144-L183 HydrophobicContact CH2-CG 4.32Å; W144-L183 HydrophobicContact CZ2-CD1 4.26Å; W144-L183 HydrophobicContact CZ2-CD2 4.24Å; W144-L183 HydrophobicContact CZ3-CD1 3.94Å; M148-L183 HydrophobicContact CB-CD1 3.81Å; M148-L183 HydrophobicContact CG-CD1 3.83Å; M148-L183 HydrophobicContact SD-CD1 4.44Å; R152-L183 HydrophobicContact CB-CB 4.42Å; E174-L183 HydrophobicContact CG-CD1 4.1Å; E174-L183 HydrophobicContact CG-CD2 4.42Å; R178-L183 HydrophobicContact CB-CD2 4.01Å; R178-L183 HydrophobicContact CB-CG 4.1Å; D179-L183 VanDerWaalsContact O-CG 3.31Å; D179-L183 WeakPolarHBondContact O-CG 3.18Å; D179-L183 PolarHBondContact O-N 3.38Å; D179-L183 VanDerWaalsContact O-N 3.09Å; A181-L183 VanDerWaalsContact C-N 3.34Å; L183-A187 WeakPolarHBondContact O-CB 3.29Å; L183-A187 PolarHBondContact O-N 3.23Å |
| 184 | A | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.8 | -40.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A151 A180 A181 Q182 A187 G188 F189 V192 A193 | A151-A184 HydrophobicContact CB-CB 4.18Å; A151-A184 WeakPolarHBondContact O-CB 3.5Å; A180-A184 PolarHBondContact O-N 3.4Å; A181-A184 WeakPolarHBondContact O-CB 3.46Å; A181-A184 PolarHBondContact O-N 2.81Å; Q182-A184 VanDerWaalsContact C-N 3.29Å; Q182-A184 PolarHBondContact O-N 3.4Å; A184-A187 PolarHBondContact O-N 3.3Å; A184-G188 PolarHBondContact O-N 3.06Å; A184-F189 PolarHBondContact O-N 2.84Å; A184-V192 HydrophobicContact CB-CB 4.26Å; A184-V192 HydrophobicContact CB-CG1 4.22Å; A184-A193 HydrophobicContact CB-CB 4Å |
| 185 | E | 96.2 | Very high | 94.9 | Very high | 85 Ų | 85 | 56.5 Ų | 56.5 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 175.9 | -73 | 177.5 | 160.2 | 0 | 0 | 111.7 | A181 Q182 A187 G188 A193 R197 | A181-E185 WeakPolarHBondContact O-CG 2.94Å; A181-E185 PolarHBondContact O-N 3.23Å; Q182-E185 PolarHBondContact O-N 3.13Å; E185-A187 VanDerWaalsContact C-N 3.28Å; E185-A187 PolarHBondContact O-N 3.05Å; E185-G188 PolarHBondContact O-N 2.46Å; E185-G188 VanDerWaalsContact O-N 3.11Å; E185-A193 HydrophobicContact CG-CB 3.55Å; E185-R197 IonicContact OE1-CZ 2.87Å; E185-R197 IonicContact OE1-NH1 3.51Å; E185-R197 PolarHBondContact OE1-NH1 3.44Å; E185-R197 IonicContact OE1-NH2 3.87Å; E185-R197 PolarHBondContact OE1-NH2 2.75Å; E185-R197 IonicContact OE2-CZ 2.79Å; E185-R197 IonicContact OE2-NH2 3.6Å; E185-R197 PolarHBondContact OE2-NH2 3.24Å |
| 186 | E | 95.8 | Very high | 94.9 | Very high | 112 Ų | 112 | 50.9 Ų | 50.9 | 52% | 0.523 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -32.6 | 177 | -73.3 | 179.8 | 167.9 | 0 | 0 | 113.3 | R178 Q182 G188 | R178-E186 WeakPolarHBondContact CD-OE1 3.48Å; R178-E186 WeakPolarHBondContact CD-OE2 3.49Å; R178-E186 IonicContact CZ-OE1 3.5Å; R178-E186 IonicContact CZ-OE2 2.78Å; R178-E186 VanDerWaalsContact CZ-OE2 3.24Å; R178-E186 IonicContact NE-OE1 2.92Å; R178-E186 IonicContact NE-OE2 2.62Å; R178-E186 IonicContact NH1-OE1 3.29Å; R178-E186 PolarHBondContact NH1-OE1 3.05Å; R178-E186 IonicContact NH1-OE2 3.95Å; R178-E186 PolarHBondContact NH1-OE2 3.25Å; Q182-E186 WeakPolarHBondContact O-CB 3.18Å; Q182-E186 VanDerWaalsContact O-CG 3.31Å; Q182-E186 WeakPolarHBondContact O-CG 3.34Å; Q182-E186 PolarHBondContact O-N 2.96Å; E186-G188 VanDerWaalsContact C-N 3.28Å |
| 187 | A | 95.7 | Very high | 94.8 | Very high | 42 Ų | 42 | 53.7 Ų | 53.7 | 35% | 0.347 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -79.4 | -8.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R152 L183 A184 E185 F189 | R152-A187 HydrophobicContact CG-CB 4.16Å; R152-A187 VanDerWaalsContact O-CB 3.24Å; R152-A187 WeakPolarHBondContact O-CB 3.4Å; L183-A187 WeakPolarHBondContact O-CB 3.29Å; L183-A187 PolarHBondContact O-N 3.23Å; A184-A187 PolarHBondContact O-N 3.3Å; E185-A187 VanDerWaalsContact C-N 3.28Å; E185-A187 PolarHBondContact O-N 3.05Å; A187-F189 HydrophobicContact CB-CD2 3.71Å; A187-F189 HydrophobicContact CB-CE2 3.94Å |
| 188 | G | 96.3 | Very high | 94.6 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 55% | 0.546 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | 22 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A184 E185 E186 P190 | A184-G188 PolarHBondContact O-N 3.06Å; E185-G188 PolarHBondContact O-N 2.46Å; E185-G188 VanDerWaalsContact O-N 3.11Å; E186-G188 VanDerWaalsContact C-N 3.28Å; G188-P190 WeakPolarHBondContact O-CD 3.12Å |
| 189 | F | 96.9 | Very high | 94.1 | Very high | 80 Ų | 80 | 55.4 Ų | 55.4 | 35% | 0.351 | 28% | 0.284 | S | S | . | . | trans | -113.5 | 68.2 | 179 | -56.5 | -64.1 | 0 | 0 | 0 | 112.3 | R152 G154 A184 A187 E191 V192 A193 | R152-F189 WeakPolarHBondContact O-CE2 3.47Å; G154-F189 VanDerWaalsContact CA-CG 3.46Å; A184-F189 PolarHBondContact O-N 2.84Å; A187-F189 HydrophobicContact CB-CD2 3.71Å; A187-F189 HydrophobicContact CB-CE2 3.94Å; F189-E191 VanDerWaalsContact C-N 3.25Å; F189-E191 PolarHBondContact O-N 3.03Å; F189-V192 HydrophobicContact CB-CB 4.15Å; F189-V192 HydrophobicContact CB-CG2 4.15Å; F189-V192 PolarHBondContact O-N 3.15Å; F189-V192 VanDerWaalsContact O-N 3.14Å; F189-A193 PolarHBondContact O-N 3.2Å; F189-A193 VanDerWaalsContact O-N 3.16Å | ||
| 190 | P | 95.1 | Very high | 92.8 | Very high | 90 Ų | 90 | 61 Ų | 61 | 58% | 0.584 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.7 | -29.4 | -176.5 | 27.2 | -35.7 | 0 | 0 | 0 | 113.1 | G188 V192 A193 R194 | G188-P190 WeakPolarHBondContact O-CD 3.12Å; P190-V192 VanDerWaalsContact C-N 3.32Å; P190-V192 PolarHBondContact O-N 3.16Å; P190-A193 WeakPolarHBondContact O-CB 3.48Å; P190-A193 PolarHBondContact O-N 3.01Å; P190-R194 WeakPolarHBondContact O-CB 3.26Å; P190-R194 PolarHBondContact O-N 3.33Å |
| 191 | E | 95.4 | Very high | 91.1 | Very high | 105 Ų | 105 | 63.2 Ų | 63.2 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 176.2 | -174.2 | 57.3 | -147.8 | 0 | 0 | 111.8 | F189 R194 M195 | F189-E191 VanDerWaalsContact C-N 3.25Å; F189-E191 PolarHBondContact O-N 3.03Å; E191-R194 PolarHBondContact O-N 3.14Å; E191-R194 IonicContact OE1-CZ 3.46Å; E191-R194 IonicContact OE1-NE 2.6Å; E191-R194 IonicContact OE1-NH2 2.67Å; E191-R194 PolarHBondContact OE1-NH2 2.82Å; E191-R194 IonicContact OE2-CZ 3.29Å; E191-R194 VanDerWaalsContact OE2-CZ 3.29Å; E191-R194 IonicContact OE2-NE 3.24Å; E191-R194 IonicContact OE2-NH2 2.86Å; E191-R194 PolarHBondContact OE2-NH2 3.02Å; E191-M195 PolarHBondContact O-N 3.03Å |
| 192 | V | 96.2 | Very high | 89.2 | Confident | 9 Ų | 9 | 68.8 Ų | 68.8 | 6% | 0.055 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71.7 | -38.6 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | A151 V159 A184 F189 P190 R194 M195 V196 | A151-V192 HydrophobicContact CB-CG1 4.27Å; V159-V192 HydrophobicContact CB-CG1 4.36Å; V159-V192 HydrophobicContact CG1-CG1 4.31Å; V159-V192 HydrophobicContact CG2-CG1 3.76Å; A184-V192 HydrophobicContact CB-CB 4.26Å; A184-V192 HydrophobicContact CB-CG1 4.22Å; F189-V192 HydrophobicContact CB-CB 4.15Å; F189-V192 HydrophobicContact CB-CG2 4.15Å; F189-V192 PolarHBondContact O-N 3.15Å; F189-V192 VanDerWaalsContact O-N 3.14Å; P190-V192 VanDerWaalsContact C-N 3.32Å; P190-V192 PolarHBondContact O-N 3.16Å; V192-R194 VanDerWaalsContact C-N 3.31Å; V192-R194 PolarHBondContact O-N 3.41Å; V192-M195 WeakPolarHBondContact O-CB 3.27Å; V192-M195 PolarHBondContact O-N 2.86Å; V192-V196 WeakPolarHBondContact O-CG2 3.02Å; V192-V196 PolarHBondContact O-N 2.82Å |
| 193 | A | 95.4 | Very high | 86.9 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.008 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A181 A184 E185 F189 P190 V196 R197 | A181-A193 HydrophobicContact CB-CB 4.36Å; A181-A193 WeakPolarHBondContact O-CB 3.31Å; A184-A193 HydrophobicContact CB-CB 4Å; E185-A193 HydrophobicContact CG-CB 3.55Å; F189-A193 PolarHBondContact O-N 3.2Å; F189-A193 VanDerWaalsContact O-N 3.16Å; P190-A193 WeakPolarHBondContact O-CB 3.48Å; P190-A193 PolarHBondContact O-N 3.01Å; A193-V196 PolarHBondContact O-N 3.5Å; A193-R197 WeakPolarHBondContact O-CG 3.29Å; A193-R197 PolarHBondContact O-N 2.97Å |
| 194 | R | 94.9 | Very high | 84.4 | Confident | 122 Ų | 122 | 80.6 Ų | 80.6 | 46% | 0.46 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60.9 | -48.6 | 173.6 | -175.7 | 175.6 | 69.7 | 174.4 | 3.6 | 111.3 | P190 E191 V192 V196 R197 E198 | P190-R194 WeakPolarHBondContact O-CB 3.26Å; P190-R194 PolarHBondContact O-N 3.33Å; E191-R194 PolarHBondContact O-N 3.14Å; E191-R194 IonicContact OE1-CZ 3.46Å; E191-R194 IonicContact OE1-NE 2.6Å; E191-R194 IonicContact OE1-NH2 2.67Å; E191-R194 PolarHBondContact OE1-NH2 2.82Å; E191-R194 IonicContact OE2-CZ 3.29Å; E191-R194 VanDerWaalsContact OE2-CZ 3.29Å; E191-R194 IonicContact OE2-NE 3.24Å; E191-R194 IonicContact OE2-NH2 2.86Å; E191-R194 PolarHBondContact OE2-NH2 3.02Å; V192-R194 VanDerWaalsContact C-N 3.31Å; V192-R194 PolarHBondContact O-N 3.41Å; R194-V196 VanDerWaalsContact C-N 3.3Å; R194-V196 PolarHBondContact O-N 3.31Å; R194-R197 PolarHBondContact O-N 3.23Å; R194-R197 VanDerWaalsContact O-N 3.15Å; R194-E198 VanDerWaalsContact CD-OE1 3.28Å; R194-E198 WeakPolarHBondContact CD-OE1 3.24Å; R194-E198 HydrophobicContact CG-CG 4.04Å; R194-E198 WeakPolarHBondContact CG-OE1 3.4Å; R194-E198 WeakPolarHBondContact CG-OE2 3.31Å; R194-E198 WeakPolarHBondContact O-CB 3.5Å; R194-E198 WeakPolarHBondContact O-CG 3.46Å; R194-E198 PolarHBondContact O-N 2.87Å |
| 195 | M | 93.1 | Very high | 81.8 | Confident | 46 Ų | 46 | 84.1 Ų | 84.1 | 23% | 0.227 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -55.2 | -42.7 | 177 | -175.8 | -174.6 | -67.6 | 0 | 0 | 112.4 | G156 V159 S160 E191 V192 S199 | G156-M195 VanDerWaalsContact O-SD 3.4Å; V159-M195 HydrophobicContact CB-SD 4.09Å; V159-M195 HydrophobicContact CG1-CG 4.26Å; V159-M195 HydrophobicContact CG1-SD 3.74Å; S160-M195 PolarHBondContact OG-SD 3.13Å; E191-M195 PolarHBondContact O-N 3.03Å; V192-M195 WeakPolarHBondContact O-CB 3.27Å; V192-M195 PolarHBondContact O-N 2.86Å; M195-S199 WeakPolarHBondContact O-CB 3.46Å; M195-S199 PolarHBondContact O-N 3.18Å; M195-S199 PolarHBondContact O-OG 3.42Å |
| 196 | V | 92.3 | Very high | 79.5 | Confident | 3 Ų | 3 | 84.9 Ų | 84.9 | 2% | 0.018 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67 | -44.1 | 177.4 | 176 | 0 | 0 | 0 | 0 | 111.6 | V159 L163 W169 A180 A181 V192 A193 R194 | V159-V196 HydrophobicContact CG1-CG2 3.74Å; L163-V196 HydrophobicContact CD1-CG2 4.27Å; W169-V196 HydrophobicContact CB-CG1 4.3Å; W169-V196 HydrophobicContact CE3-CG1 4.29Å; A180-V196 HydrophobicContact CB-CG1 4.38Å; A181-V196 HydrophobicContact CB-CB 4.37Å; A181-V196 HydrophobicContact CB-CG1 4.27Å; V192-V196 WeakPolarHBondContact O-CG2 3.02Å; V192-V196 PolarHBondContact O-N 2.82Å; A193-V196 PolarHBondContact O-N 3.5Å; R194-V196 VanDerWaalsContact C-N 3.3Å; R194-V196 PolarHBondContact O-N 3.31Å |
| 197 | R | 90.8 | Very high | 77.2 | Confident | 134 Ų | 134 | 87.9 Ų | 87.9 | 51% | 0.506 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.6 | -36.8 | -179.3 | -73.3 | -178.3 | -179.6 | 151.8 | 8.5 | 113.5 | A181 E185 A193 R194 S199 | A181-R197 HydrophobicContact CB-CG 4Å; E185-R197 IonicContact OE1-CZ 2.87Å; E185-R197 IonicContact OE1-NH1 3.51Å; E185-R197 PolarHBondContact OE1-NH1 3.44Å; E185-R197 IonicContact OE1-NH2 3.87Å; E185-R197 PolarHBondContact OE1-NH2 2.75Å; E185-R197 IonicContact OE2-CZ 2.79Å; E185-R197 IonicContact OE2-NH2 3.6Å; E185-R197 PolarHBondContact OE2-NH2 3.24Å; A193-R197 WeakPolarHBondContact O-CG 3.29Å; A193-R197 PolarHBondContact O-N 2.97Å; R194-R197 PolarHBondContact O-N 3.23Å; R194-R197 VanDerWaalsContact O-N 3.15Å; R197-S199 VanDerWaalsContact C-N 3.35Å |
| 198 | E | 88.7 | Confident | 74.8 | Confident | 120 Ų | 120 | 92.7 Ų | 92.7 | 56% | 0.561 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -84.3 | -10.5 | -177.9 | -68.7 | 177 | 177.1 | 0 | 0 | 113 | R194 H200 | R194-E198 VanDerWaalsContact CD-OE1 3.28Å; R194-E198 WeakPolarHBondContact CD-OE1 3.24Å; R194-E198 HydrophobicContact CG-CG 4.04Å; R194-E198 WeakPolarHBondContact CG-OE1 3.4Å; R194-E198 WeakPolarHBondContact CG-OE2 3.31Å; R194-E198 WeakPolarHBondContact O-CB 3.5Å; R194-E198 WeakPolarHBondContact O-CG 3.46Å; R194-E198 PolarHBondContact O-N 2.87Å; E198-H200 PolarHBondContact O-N 3.28Å |
| 199 | S | 81.6 | Confident | 72.1 | Confident | 29 Ų | 29 | 100.1 Ų | 100.1 | 20% | 0.203 | 49% | 0.493 | C | S | . | . | trans | -70.9 | 106 | -178 | -75.8 | 0 | 0 | 0 | 0 | 111.7 | L163 W169 M195 R197 G201 | L163-S199 VanDerWaalsContact CD1-OG 3.26Å; L163-S199 WeakPolarHBondContact CD1-OG 3.3Å; W169-S199 WeakPolarHBondContact CZ2-O 3.34Å; M195-S199 WeakPolarHBondContact O-CB 3.46Å; M195-S199 PolarHBondContact O-N 3.18Å; M195-S199 PolarHBondContact O-OG 3.42Å; R197-S199 VanDerWaalsContact C-N 3.35Å; S199-G201 PolarHBondContact O-N 3.19Å | ||
| 200 | H | 67.1 | Low | 69.6 | Low | 166 Ų | 166 | 100.5 Ų | 100.5 | 77% | 0.769 | 51% | 0.505 | S | S | * | . | trans | -69.5 | 101.4 | 164.5 | -54.7 | -63.2 | 0 | 0 | 0 | 108.1 | E198 E202 | E198-H200 PolarHBondContact O-N 3.28Å; H200-E202 PolarHBondContact O-N 3.45Å | ||
| 201 | G | 59.9 | Low | 67.5 | Low | 50 Ų | 50 | 101.7 Ų | 101.7 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -42.8 | 127.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S199 | S199-G201 PolarHBondContact O-N 3.19Š|
| 202 | E | 53.8 | Low | 65.3 | Low | 119 Ų | 119 | 102.4 Ų | 102.4 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | trans | 63.8 | 78.3 | -178.8 | -62.8 | 176.5 | -178.8 | 0 | 0 | 116.3 | H200 R204 | H200-E202 PolarHBondContact O-N 3.45Å; E202-R204 PolarHBondContact O-N 3.28Å | ||
| 203 | T | 46.8 | Very low | 63.4 | Low | 116 Ų | 116 | 104.8 Ų | 104.8 | 71% | 0.712 | 54% | 0.541 | S | S | * | . | trans | -70.3 | 88.3 | 145.4 | -56.1 | 0 | 0 | 0 | 0 | 107.3 | S205 | T203-S205 PolarHBondContact O-N 3.34Š| ||
| 204 | R | 43.2 | Very low | 61.9 | Low | 210 Ų | 210 | 108.4 Ų | 108.4 | 79% | 0.792 | 57% | 0.566 | S | S | * | * | trans | -50.7 | 110.1 | 166.4 | -75.6 | -174.4 | 169.3 | -164.3 | -4.2 | 107.6 | E202 P206 | E202-R204 PolarHBondContact O-N 3.28Å; R204-P206 WeakPolarHBondContact O-CD 3.34Å; R204-P206 VanDerWaalsContact O-N 3.13Å | ||
| 205 | S | 43.5 | Very low | 61 | Low | 75 Ų | 75 | 107.7 Ų | 107.7 | 52% | 0.524 | 57% | 0.571 | S | S | . | * | trans | -50.8 | 122.5 | 169.9 | 175.3 | 0 | 0 | 0 | 0 | 107.8 | T203 E207 | T203-S205 PolarHBondContact O-N 3.34Å; S205-E207 PolarHBondContact O-N 3.24Å | ||
| 206 | P | 47.7 | Very low | 60.4 | Low | 100 Ų | 100 | 110.4 Ų | 110.4 | 65% | 0.649 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -65.4 | -4.4 | -175.7 | 24.6 | -32.6 | 0 | 0 | 0 | 113.5 | R204 | R204-P206 WeakPolarHBondContact O-CD 3.34Å; R204-P206 VanDerWaalsContact O-N 3.13Å |
| 207 | E | 47.7 | Very low | 60.2 | Low | 175 Ų | 175 | 115.8 Ų | 115.8 | 82% | 0.818 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -89.2 | -5.1 | -171 | -50 | -170.5 | 167.6 | 0 | 0 | 113.9 | S205 | S205-E207 PolarHBondContact O-N 3.24Š|
| 208 | N | 45.4 | Very low | 60.1 | Low | 144 Ų | 144 | 109.9 Ų | 109.9 | 77% | 0.77 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -121.8 | 35.8 | 170.4 | -150.1 | 6.9 | 0 | 0 | 0 | 112 | S210 | N208-S210 VanDerWaalsContact C-N 3.27Å; N208-S210 PolarHBondContact O-N 2.64Å |
| 209 | R | 39.5 | Very low | 60 | Low | 209 Ų | 209 | 112 Ų | 112 | 79% | 0.789 | 59% | 0.593 | S | S | * | * | trans | -67.1 | 98.1 | 153.1 | -82.4 | -173.4 | 178.3 | -168 | 0.1 | 106.4 | ||||
| 210 | S | 44 | Very low | 60.1 | Low | 87 Ų | 87 | 115.1 Ų | 115.1 | 61% | 0.608 | 61% | 0.607 | S | S | * | * | trans | -38.3 | 128.1 | 149.5 | -47.8 | 0 | 0 | 0 | 0 | 106.8 | N208 T212 | N208-S210 VanDerWaalsContact C-N 3.27Å; N208-S210 PolarHBondContact O-N 2.64Å; S210-T212 PolarHBondContact O-N 3.07Å | ||
| 211 | P | 51.7 | Low | 61 | Low | 116 Ų | 116 | 108.2 Ų | 108.2 | 75% | 0.753 | 58% | 0.577 | S | S | * | * | trans | -49.5 | 125.3 | -177.2 | 20.3 | -31 | 0 | 0 | 0 | 106.5 | P213 | P211-P213 WeakPolarHBondContact O-CA 3.47Å; P211-P213 WeakPolarHBondContact O-CD 3.41Å | ||
| 212 | T | 49 | Very low | 62.1 | Low | 120 Ų | 120 | 111.4 Ų | 111.4 | 74% | 0.736 | 58% | 0.583 | S | S | * | * | trans | -32.3 | 106.2 | -179.9 | 38 | 0 | 0 | 0 | 0 | 108.3 | S210 S214 | S210-T212 PolarHBondContact O-N 3.07Å; T212-S214 PolarHBondContact O-N 3.42Å | ||
| 213 | P | 54.9 | Low | 63.6 | Low | 58 Ų | 58 | 109 Ų | 109 | 38% | 0.377 | 58% | 0.576 | S | S | . | * | trans | -59.4 | 118 | -169 | 19.2 | -30.8 | 0 | 0 | 0 | 106.2 | P211 L215 Q226 | P211-P213 WeakPolarHBondContact O-CA 3.47Å; P211-P213 WeakPolarHBondContact O-CD 3.41Å; P213-L215 PolarHBondContact O-N 3.16Å; P213-Q226 HydrophobicContact CB-CB 4.1Å; P213-Q226 WeakPolarHBondContact CB-O 3.4Å; P213-Q226 HydrophobicContact CG-CB 3.69Å; P213-Q226 HydrophobicContact CG-CG 3.99Å | ||
| 214 | S | 64.6 | Low | 65.5 | Low | 78 Ų | 78 | 109.4 Ų | 109.4 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | trans | -48.9 | 120 | 178.1 | 53.1 | 0 | 0 | 0 | 0 | 107.2 | T212 Q216 | T212-S214 PolarHBondContact O-N 3.42Å; S214-Q216 WeakPolarHBondContact O-CG 3.49Å; S214-Q216 PolarHBondContact O-N 3.49Å; S214-Q216 PolarHBondContact OG-NE2 3.46Å | ||
| 215 | L | 76.3 | Confident | 67.6 | Low | 107 Ų | 107 | 101.3 Ų | 101.3 | 56% | 0.56 | 54% | 0.54 | S | S | * | . | trans | -57.3 | 107.6 | 175.7 | -78.3 | 158.3 | 0 | 0 | 0 | 107.8 | P213 H224 Q226 | P213-L215 PolarHBondContact O-N 3.16Å; L215-H224 HydrophobicContact CB-CB 4.49Å; L215-H224 HydrophobicContact CD2-CB 3.94Å; L215-Q226 HydrophobicContact CD2-CG 3.78Å; L215-Q226 HydrophobicContact CG-CG 4.42Å | ||
| 216 | Q | 80.7 | Confident | 69.4 | Low | 103 Ų | 103 | 103.1 Ų | 103.1 | 48% | 0.481 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 139.4 | 174.9 | -64.9 | -64 | -35.7 | 0 | 0 | 107.9 | S214 H224 F225 | S214-Q216 WeakPolarHBondContact O-CG 3.49Å; S214-Q216 PolarHBondContact O-N 3.49Å; S214-Q216 PolarHBondContact OG-NE2 3.46Å; Q216-H224 CarbonylContact O-C 3.56Å; Q216-H224 VanDerWaalsContact O-CA 3.31Å; Q216-H224 WeakPolarHBondContact O-CA 3.45Å; Q216-F225 HydrophobicContact CB-CD1 4.45Å; Q216-F225 HydrophobicContact CB-CD2 4.39Å; Q216-F225 HydrophobicContact CB-CE1 3.88Å; Q216-F225 HydrophobicContact CB-CE2 3.85Å; Q216-F225 HydrophobicContact CB-CZ 3.56Å; Q216-F225 PolarHBondContact N-O 2.95Å; Q216-F225 VanDerWaalsContact O-CD1 3.28Å; Q216-F225 WeakPolarHBondContact O-CD1 3.42Å; Q216-F225 PolarHBondContact O-N 3.17Å |
| 217 | Y | 88.2 | Confident | 71 | Confident | 115 Ų | 115 | 104 Ų | 104 | 45% | 0.451 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 132.5 | 177 | -176.9 | -104.6 | 0 | 0 | 0 | 109.9 | E219 D222 H224 | Y217-E219 HydrophobicContact CD1-CG 4.41Å; Y217-E219 HydrophobicContact CE1-CG 4.41Å; Y217-D222 WeakPolarHBondContact OH-CA 3.42Å; Y217-D222 PolarHBondContact OH-OD1 3.21Å; Y217-H224 AromaticContact CD2-CE1 3.6Å; Y217-H224 AromaticContact CD2-ND1 3.87Å; Y217-H224 AromaticContact CD2-NE2 3.68Å |
| 218 | C | 88.9 | Confident | 72.7 | Confident | 10 Ų | 10 | 101 Ų | 101 | 7% | 0.068 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 115.3 | 173.1 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | N220 C221 D222 T223 F225 H230 H236 | C218-N220 PolarHBondContact O-N 3.41Å; C218-C221 HydrophobicContact CB-CB 4.12Å; C218-C221 PolarHBondContact O-N 3.32Å; C218-D222 WeakPolarHBondContact O-CA 3.18Å; C218-D222 PolarHBondContact O-N 3.34Å; C218-T223 PolarHBondContact N-O 2.72Å; C218-F225 HydrophobicContact CB-CD1 3.84Å; C218-F225 HydrophobicContact CB-CE1 3.69Å; C218-H230 VanDerWaalsContact CB-NE2 3.29Å; C218-H230 WeakPolarHBondContact CB-NE2 3.26Å; C218-H230 PolarHBondContact SG-NE2 3.42Å; C218-H230 VanDerWaalsContact SG-NE2 3.41Å; C218-H236 PolarHBondContact SG-CE1 3.05Å; C218-H236 PolarHBondContact SG-ND1 2.91Å |
| 219 | E | 86.2 | Confident | 74.5 | Confident | 166 Ų | 166 | 99.2 Ų | 99.2 | 78% | 0.776 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.7 | 176.4 | -61.6 | -177.4 | 165.3 | 0 | 0 | 113.8 | Y217 | Y217-E219 HydrophobicContact CD1-CG 4.41Å; Y217-E219 HydrophobicContact CE1-CG 4.41Å |
| 220 | N | 83.4 | Confident | 76.9 | Confident | 94 Ų | 94 | 90.2 Ų | 90.2 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -24.4 | 178.6 | -62.9 | 94.3 | 0 | 0 | 0 | 113.2 | C218 L240 | C218-N220 PolarHBondContact O-N 3.41Å; N220-L240 HydrophobicContact CB-CD2 3.72Å; N220-L240 VanDerWaalsContact ND2-CD2 3.35Å; N220-L240 WeakPolarHBondContact ND2-CD2 3.47Å |
| 221 | C | 85.6 | Confident | 78.7 | Confident | 21 Ų | 21 | 95 Ų | 95 | 14% | 0.142 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -3.4 | -176.9 | -62.2 | 0 | 0 | 0 | 0 | 112.6 | C218 T223 H236 | C218-C221 HydrophobicContact CB-CB 4.12Å; C218-C221 PolarHBondContact O-N 3.32Å; C221-T223 WeakPolarHBondContact CB-OG1 3.42Å; C221-T223 WeakPolarHBondContact O-CG2 3.35Å; C221-T223 PolarHBondContact O-N 3.05Å; C221-T223 PolarHBondContact O-OG1 3.29Å; C221-T223 VanDerWaalsContact O-OG1 3.11Å; C221-H236 PolarHBondContact SG-ND1 2.76Å |
| 222 | D | 83.8 | Confident | 80.4 | Confident | 117 Ų | 117 | 94.5 Ų | 94.5 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.1 | 35.7 | -171.6 | -66.4 | -26.9 | 0 | 0 | 0 | 113.7 | Y217 C218 | Y217-D222 WeakPolarHBondContact OH-CA 3.42Å; Y217-D222 PolarHBondContact OH-OD1 3.21Å; C218-D222 WeakPolarHBondContact O-CA 3.18Å; C218-D222 PolarHBondContact O-N 3.34Å |
| 223 | T | 84.6 | Confident | 82.2 | Confident | 69 Ų | 69 | 90.5 Ų | 90.5 | 42% | 0.423 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.9 | -174.2 | 43.7 | 0 | 0 | 0 | 0 | 111.5 | C218 C221 | C218-T223 PolarHBondContact N-O 2.72Å; C221-T223 WeakPolarHBondContact CB-OG1 3.42Å; C221-T223 WeakPolarHBondContact O-CG2 3.35Å; C221-T223 PolarHBondContact O-N 3.05Å; C221-T223 PolarHBondContact O-OG1 3.29Å; C221-T223 VanDerWaalsContact O-OG1 3.11Å |
| 224 | H | 87.1 | Confident | 83.6 | Confident | 123 Ų | 123 | 93.6 Ų | 93.6 | 57% | 0.569 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 134.7 | 170.6 | -65.8 | -84.4 | 0 | 0 | 0 | 110.1 | L215 Q216 Y217 | L215-H224 HydrophobicContact CB-CB 4.49Å; L215-H224 HydrophobicContact CD2-CB 3.94Å; Q216-H224 CarbonylContact O-C 3.56Å; Q216-H224 VanDerWaalsContact O-CA 3.31Å; Q216-H224 WeakPolarHBondContact O-CA 3.45Å; Y217-H224 AromaticContact CD2-CE1 3.6Å; Y217-H224 AromaticContact CD2-ND1 3.87Å; Y217-H224 AromaticContact CD2-NE2 3.68Å |
| 225 | F | 86.5 | Confident | 84.6 | Confident | 40 Ų | 40 | 93 Ų | 93 | 18% | 0.175 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.4 | 178.4 | 66.1 | -89.4 | 0 | 0 | 0 | 111 | Q216 C218 D227 H230 | Q216-F225 HydrophobicContact CB-CD1 4.45Å; Q216-F225 HydrophobicContact CB-CD2 4.39Å; Q216-F225 HydrophobicContact CB-CE1 3.88Å; Q216-F225 HydrophobicContact CB-CE2 3.85Å; Q216-F225 HydrophobicContact CB-CZ 3.56Å; Q216-F225 PolarHBondContact N-O 2.95Å; Q216-F225 VanDerWaalsContact O-CD1 3.28Å; Q216-F225 WeakPolarHBondContact O-CD1 3.42Å; Q216-F225 PolarHBondContact O-N 3.17Å; C218-F225 HydrophobicContact CB-CD1 3.84Å; C218-F225 HydrophobicContact CB-CE1 3.69Å; F225-D227 VanDerWaalsContact CD2-O 3.29Å; F225-D227 WeakPolarHBondContact CD2-O 3.19Å; F225-H230 HydrophobicContact CB-CB 3.91Å; F225-H230 HydrophobicContact CD1-CB 4.13Å; F225-H230 AromaticContact CD1-CD2 3.3Å; F225-H230 WeakPolarHBondContact CD1-CD2 3.33Å; F225-H230 AromaticContact CD1-CE1 3.97Å; F225-H230 AromaticContact CD1-CG 3.52Å; F225-H230 AromaticContact CD1-ND1 3.94Å; F225-H230 AromaticContact CD1-NE2 3.64Å; F225-H230 HydrophobicContact CD2-CB 3.19Å; F225-H230 AromaticContact CD2-CD2 3.99Å; F225-H230 AromaticContact CD2-CG 3.57Å; F225-H230 HydrophobicContact CE1-CB 4.48Å; F225-H230 AromaticContact CE1-CD2 3.44Å; F225-H230 VanDerWaalsContact CE1-CD2 3.44Å; F225-H230 WeakPolarHBondContact CE1-CD2 3.39Å; F225-H230 AromaticContact CE1-NE2 3.99Å; F225-H230 HydrophobicContact CE2-CB 3.6Å; F225-H230 HydrophobicContact CG-CB 3.47Å; F225-H230 VanDerWaalsContact CG-CB 3.47Å; F225-H230 AromaticContact CG-CD2 3.6Å; F225-H230 AromaticContact CG-CG 3.28Å; F225-H230 AromaticContact CG-ND1 3.7Å; F225-H230 HydrophobicContact CZ-CB 4.23Å; F225-H230 AromaticContact CZ-CD2 3.81Å |
| 226 | Q | 82.5 | Confident | 85.1 | Confident | 114 Ų | 114 | 88.2 Ų | 88.2 | 53% | 0.533 | 47% | 0.465 | S | S | . | . | trans | -110.8 | -22.4 | 177.2 | -71.1 | 179.6 | 32 | 0 | 0 | 112.1 | P213 L215 | P213-Q226 HydrophobicContact CB-CB 4.1Å; P213-Q226 WeakPolarHBondContact CB-O 3.4Å; P213-Q226 HydrophobicContact CG-CB 3.69Å; P213-Q226 HydrophobicContact CG-CG 3.99Å; L215-Q226 HydrophobicContact CD2-CG 3.78Å; L215-Q226 HydrophobicContact CG-CG 4.42Å | ||
| 227 | D | 80.9 | Confident | 85.3 | Confident | 119 Ų | 119 | 87.9 Ų | 87.9 | 64% | 0.636 | 47% | 0.465 | S | S | * | . | trans | -78.9 | 133.2 | -173.7 | -57.5 | -38.8 | 0 | 0 | 0 | 111.7 | F225 N229 H230 | F225-D227 VanDerWaalsContact CD2-O 3.29Å; F225-D227 WeakPolarHBondContact CD2-O 3.19Å; D227-N229 PolarHBondContact O-N 2.93Å; D227-N229 VanDerWaalsContact O-N 3.13Å; D227-H230 WeakPolarHBondContact O-CB 3.45Å; D227-H230 PolarHBondContact O-N 3.29Å | ||
| 228 | S | 82.6 | Confident | 85 | Confident | 112 Ų | 112 | 87.4 Ų | 87.4 | 78% | 0.783 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -25.2 | 171.6 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | ||
| 229 | N | 84.2 | Confident | 84.7 | Confident | 106 Ų | 106 | 89.1 Ų | 89.1 | 57% | 0.567 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 8.9 | -175.3 | -59 | -14.3 | 0 | 0 | 0 | 112.8 | D227 R231 T232 S233 | D227-N229 PolarHBondContact O-N 2.93Å; D227-N229 VanDerWaalsContact O-N 3.13Å; N229-R231 VanDerWaalsContact C-N 3.26Å; N229-R231 PolarHBondContact O-N 3.06Å; N229-T232 PolarHBondContact O-N 3.04Å; N229-T232 PolarHBondContact O-OG1 3.44Å; N229-S233 PolarHBondContact O-N 3.09Å |
| 230 | H | 88.7 | Confident | 84.4 | Confident | 20 Ų | 20 | 85 Ų | 85 | 9% | 0.093 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -51.6 | -45.7 | 179.8 | 171 | 76.3 | 0 | 0 | 0 | 112.2 | C218 F225 D227 T232 S233 H236 | C218-H230 VanDerWaalsContact CB-NE2 3.29Å; C218-H230 WeakPolarHBondContact CB-NE2 3.26Å; C218-H230 PolarHBondContact SG-NE2 3.42Å; C218-H230 VanDerWaalsContact SG-NE2 3.41Å; F225-H230 HydrophobicContact CB-CB 3.91Å; F225-H230 HydrophobicContact CD1-CB 4.13Å; F225-H230 AromaticContact CD1-CD2 3.3Å; F225-H230 WeakPolarHBondContact CD1-CD2 3.33Å; F225-H230 AromaticContact CD1-CE1 3.97Å; F225-H230 AromaticContact CD1-CG 3.52Å; F225-H230 AromaticContact CD1-ND1 3.94Å; F225-H230 AromaticContact CD1-NE2 3.64Å; F225-H230 HydrophobicContact CD2-CB 3.19Å; F225-H230 AromaticContact CD2-CD2 3.99Å; F225-H230 AromaticContact CD2-CG 3.57Å; F225-H230 HydrophobicContact CE1-CB 4.48Å; F225-H230 AromaticContact CE1-CD2 3.44Å; F225-H230 VanDerWaalsContact CE1-CD2 3.44Å; F225-H230 WeakPolarHBondContact CE1-CD2 3.39Å; F225-H230 AromaticContact CE1-NE2 3.99Å; F225-H230 HydrophobicContact CE2-CB 3.6Å; F225-H230 HydrophobicContact CG-CB 3.47Å; F225-H230 VanDerWaalsContact CG-CB 3.47Å; F225-H230 AromaticContact CG-CD2 3.6Å; F225-H230 AromaticContact CG-CG 3.28Å; F225-H230 AromaticContact CG-ND1 3.7Å; F225-H230 HydrophobicContact CZ-CB 4.23Å; F225-H230 AromaticContact CZ-CD2 3.81Å; D227-H230 WeakPolarHBondContact O-CB 3.45Å; D227-H230 PolarHBondContact O-N 3.29Å; H230-T232 PolarHBondContact O-N 3.31Å; H230-S233 VanDerWaalsContact O-CB 3.29Å; H230-S233 WeakPolarHBondContact O-CB 3.35Å; H230-S233 PolarHBondContact O-N 3.1Å; H230-S233 PolarHBondContact O-OG 3Å; H230-H236 AromaticContact CD2-ND1 3.73Å; H230-H236 AromaticContact NE2-CG 3.98Å; H230-H236 AromaticContact NE2-ND1 3.21Å; H230-H236 PolarHBondContact NE2-ND1 2.95Å; H230-H236 WeakPolarHBondContact O-CB 3.5Å |
| 231 | R | 82.8 | Confident | 83.8 | Confident | 186 Ų | 186 | 83.8 Ų | 83.8 | 70% | 0.702 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -65.3 | -20.2 | -178 | -59.3 | -176.3 | 83.5 | 161 | 7 | 114.3 | N229 H236 | N229-R231 VanDerWaalsContact C-N 3.26Å; N229-R231 PolarHBondContact O-N 3.06Å; R231-H236 PolarHBondContact O-CD2 3.28Å |
| 232 | T | 86.9 | Confident | 82.8 | Confident | 106 Ų | 106 | 89.8 Ų | 89.8 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -103.7 | -6 | 175.5 | 55.4 | 0 | 0 | 0 | 0 | 112.7 | N229 H230 | N229-T232 PolarHBondContact O-N 3.04Å; N229-T232 PolarHBondContact O-OG1 3.44Å; H230-T232 PolarHBondContact O-N 3.31Å |
| 233 | S | 87.1 | Confident | 81.6 | Confident | 37 Ų | 37 | 86 Ų | 86 | 26% | 0.259 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -62 | 144.2 | 178.2 | 76.7 | 0 | 0 | 0 | 0 | 110.7 | N229 H230 A235 H236 L237 | N229-S233 PolarHBondContact O-N 3.09Å; H230-S233 VanDerWaalsContact O-CB 3.29Å; H230-S233 WeakPolarHBondContact O-CB 3.35Å; H230-S233 PolarHBondContact O-N 3.1Å; H230-S233 PolarHBondContact O-OG 3Å; S233-A235 PolarHBondContact O-N 3.32Å; S233-H236 PolarHBondContact O-N 3Å; S233-H236 VanDerWaalsContact O-N 3.15Å; S233-H236 WeakPolarHBondContact OG-CB 3.41Å; S233-H236 PolarHBondContact OG-N 2.97Å; S233-H236 VanDerWaalsContact OG-N 3.14Å; S233-L237 WeakPolarHBondContact O-CG 3.32Å; S233-L237 PolarHBondContact O-N 3.17Å |
| 234 | T | 84.3 | Confident | 80.2 | Confident | 123 Ų | 123 | 89.1 Ų | 89.1 | 76% | 0.755 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.4 | -33.1 | 174.7 | 51 | 0 | 0 | 0 | 0 | 111.7 | L238 | T234-L238 WeakPolarHBondContact O-CB 3.48Å; T234-L238 PolarHBondContact O-N 3.42Å |
| 235 | A | 85.1 | Confident | 78.6 | Confident | 64 Ų | 64 | 90.2 Ų | 90.2 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S233 L238 S239 | S233-A235 PolarHBondContact O-N 3.32Å; A235-L238 PolarHBondContact O-N 3.45Å; A235-S239 PolarHBondContact O-N 3.34Å; A235-S239 PolarHBondContact O-OG 3.32Å |
| 236 | H | 87 | Confident | 76.8 | Confident | 8 Ų | 8 | 91.7 Ų | 91.7 | 4% | 0.037 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.7 | 179.6 | 86.1 | 0 | 0 | 0 | 111.9 | C218 C221 H230 R231 S233 L238 S239 L240 | C218-H236 PolarHBondContact SG-CE1 3.05Å; C218-H236 PolarHBondContact SG-ND1 2.91Å; C221-H236 PolarHBondContact SG-ND1 2.76Å; H230-H236 AromaticContact CD2-ND1 3.73Å; H230-H236 AromaticContact NE2-CG 3.98Å; H230-H236 AromaticContact NE2-ND1 3.21Å; H230-H236 PolarHBondContact NE2-ND1 2.95Å; H230-H236 WeakPolarHBondContact O-CB 3.5Å; R231-H236 PolarHBondContact O-CD2 3.28Å; S233-H236 PolarHBondContact O-N 3Å; S233-H236 VanDerWaalsContact O-N 3.15Å; S233-H236 WeakPolarHBondContact OG-CB 3.41Å; S233-H236 PolarHBondContact OG-N 2.97Å; S233-H236 VanDerWaalsContact OG-N 3.14Å; H236-L238 VanDerWaalsContact C-N 3.26Å; H236-L238 PolarHBondContact O-N 3.46Å; H236-S239 PolarHBondContact O-N 3.12Å; H236-L240 WeakPolarHBondContact O-CG 3.42Å; H236-L240 PolarHBondContact O-N 3.39Å |
| 237 | L | 85.2 | Confident | 75.3 | Confident | 95 Ų | 95 | 92.1 Ų | 92.1 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61 | -35.5 | 176.8 | -65.9 | 175.3 | 0 | 0 | 0 | 112.3 | S233 L240 S241 | S233-L237 WeakPolarHBondContact O-CG 3.32Å; S233-L237 PolarHBondContact O-N 3.17Å; L237-L240 HydrophobicContact CD2-CD1 4.44Å; L237-L240 PolarHBondContact O-N 3Å; L237-S241 PolarHBondContact O-N 3.05Å; L237-S241 VanDerWaalsContact O-N 3.16Å |
| 238 | L | 82.3 | Confident | 73.8 | Confident | 105 Ų | 105 | 92.9 Ų | 92.9 | 55% | 0.55 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.5 | -42 | 177 | -152.3 | 77.4 | 0 | 0 | 0 | 111.6 | T234 A235 H236 L240 S241 Q242 | T234-L238 WeakPolarHBondContact O-CB 3.48Å; T234-L238 PolarHBondContact O-N 3.42Å; A235-L238 PolarHBondContact O-N 3.45Å; H236-L238 VanDerWaalsContact C-N 3.26Å; H236-L238 PolarHBondContact O-N 3.46Å; L238-L240 VanDerWaalsContact C-N 3.3Å; L238-L240 PolarHBondContact O-N 2.96Å; L238-S241 WeakPolarHBondContact O-CB 3.22Å; L238-S241 PolarHBondContact O-N 3.41Å; L238-S241 PolarHBondContact O-OG 2.95Å; L238-Q242 PolarHBondContact O-N 3.37Å |
| 239 | S | 83 | Confident | 72.4 | Confident | 47 Ų | 47 | 90.2 Ų | 90.2 | 33% | 0.329 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 173.5 | -65.5 | 0 | 0 | 0 | 0 | 112 | A235 H236 S241 Q242 | A235-S239 PolarHBondContact O-N 3.34Å; A235-S239 PolarHBondContact O-OG 3.32Å; H236-S239 PolarHBondContact O-N 3.12Å; S239-S241 VanDerWaalsContact C-N 3.26Å; S239-S241 PolarHBondContact O-N 3.23Å; S239-Q242 PolarHBondContact O-N 3Å |
| 240 | L | 79.2 | Confident | 71.1 | Confident | 78 Ų | 78 | 89.3 Ų | 89.3 | 41% | 0.408 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -34.9 | 173.9 | -69.8 | 174.8 | 0 | 0 | 0 | 112.6 | N220 H236 L237 L238 Q242 | N220-L240 HydrophobicContact CB-CD2 3.72Å; N220-L240 VanDerWaalsContact ND2-CD2 3.35Å; N220-L240 WeakPolarHBondContact ND2-CD2 3.47Å; H236-L240 WeakPolarHBondContact O-CG 3.42Å; H236-L240 PolarHBondContact O-N 3.39Å; L237-L240 HydrophobicContact CD2-CD1 4.44Å; L237-L240 PolarHBondContact O-N 3Å; L238-L240 VanDerWaalsContact C-N 3.3Å; L238-L240 PolarHBondContact O-N 2.96Å; L240-Q242 VanDerWaalsContact C-N 3.29Å; L240-Q242 PolarHBondContact O-N 3.16Å |
| 241 | S | 70.2 | Confident | 69.6 | Low | 69 Ų | 69 | 92.4 Ų | 92.4 | 48% | 0.483 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.3 | -19.4 | 179.5 | 75.7 | 0 | 0 | 0 | 0 | 114 | L237 L238 S239 G243 | L237-S241 PolarHBondContact O-N 3.05Å; L237-S241 VanDerWaalsContact O-N 3.16Å; L238-S241 WeakPolarHBondContact O-CB 3.22Å; L238-S241 PolarHBondContact O-N 3.41Å; L238-S241 PolarHBondContact O-OG 2.95Å; S239-S241 VanDerWaalsContact C-N 3.26Å; S239-S241 PolarHBondContact O-N 3.23Å; S241-G243 VanDerWaalsContact C-N 3.31Å |
| 242 | Q | 64.7 | Low | 68.7 | Low | 148 Ų | 148 | 87.1 Ų | 87.1 | 69% | 0.692 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 2.6 | 179 | -68.1 | -173.1 | 14.4 | 0 | 0 | 114.1 | L238 S239 L240 | L238-Q242 PolarHBondContact O-N 3.37Å; S239-Q242 PolarHBondContact O-N 3Å; L240-Q242 VanDerWaalsContact C-N 3.29Å; L240-Q242 PolarHBondContact O-N 3.16Å |
| 243 | G | 59 | Low | 67.8 | Low | 36 Ų | 36 | 85.1 Ų | 85.1 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -52 | 147.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S241 Q245 | S241-G243 VanDerWaalsContact C-N 3.31Å; G243-Q245 VanDerWaalsContact C-N 3.33Å; G243-Q245 PolarHBondContact O-N 3.11Å |
| 244 | P | 55.7 | Low | 67 | Low | 135 Ų | 135 | 87 Ų | 87 | 88% | 0.877 | 53% | 0.531 | S | S | * | . | trans | -59.7 | 94.1 | -173.7 | 23.6 | -32.7 | 0 | 0 | 0 | 110.2 | ||||
| 245 | Q | 52.9 | Low | 66.7 | Low | 147 Ų | 147 | 85.4 Ų | 85.4 | 69% | 0.687 | 52% | 0.517 | S | S | * | . | trans | -66.8 | 129.1 | 170.7 | -68.2 | -66.7 | -9.9 | 0 | 0 | 106.7 | G243 | G243-Q245 VanDerWaalsContact C-N 3.33Å; G243-Q245 PolarHBondContact O-N 3.11Å | ||
| 246 | P | 49.3 | Very low | 66.4 | Low | 70 Ų | 70 | 86.6 Ų | 86.6 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | trans | -56.5 | 127.1 | 174.1 | 22.5 | -30.7 | 0 | 0 | 0 | 108 | N248 L249 I255 | P246-N248 PolarHBondContact O-N 3.26Å; P246-L249 HydrophobicContact CG-CD1 4.19Å; P246-I255 HydrophobicContact CG-CD1 4.32Å | ||
| 247 | P | 50.5 | Low | 66.3 | Low | 123 Ų | 123 | 87.9 Ų | 87.9 | 80% | 0.799 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 15.3 | -162.6 | 21.6 | -31.8 | 0 | 0 | 0 | 116.4 | ||
| 248 | N | 49.1 | Very low | 66.3 | Low | 135 Ų | 135 | 88 Ų | 88 | 72% | 0.722 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.6 | 37.2 | -165.9 | -65.9 | -46.3 | 0 | 0 | 0 | 115.9 | P246 P250 | P246-N248 PolarHBondContact O-N 3.26Å; N248-P250 VanDerWaalsContact O-CD 3.25Å; N248-P250 WeakPolarHBondContact O-CD 3.35Å |
| 249 | L | 54 | Low | 66.5 | Low | 56 Ų | 56 | 84.6 Ų | 84.6 | 29% | 0.293 | 53% | 0.528 | S | S | . | . | trans | -105.8 | 97.7 | 164.6 | -82.1 | 115 | 0 | 0 | 0 | 111.6 | P246 L251 I255 F260 | P246-L249 HydrophobicContact CG-CD1 4.19Å; L249-L251 PolarHBondContact O-N 3.37Å; L249-I255 HydrophobicContact CD1-CD1 3.63Å; L249-I255 HydrophobicContact CD1-CG1 3.62Å; L249-I255 HydrophobicContact CD2-CG1 3.95Å; L249-I255 HydrophobicContact CG-CG1 4.45Å; L249-F260 HydrophobicContact CD2-CD2 4.45Å; L249-F260 HydrophobicContact CD2-CE2 3.66Å; L249-F260 HydrophobicContact CD2-CZ 3.89Å | ||
| 250 | P | 55.8 | Low | 66.5 | Low | 88 Ų | 88 | 83.1 Ų | 83.1 | 57% | 0.571 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -7.8 | -174.6 | 5.2 | -7.3 | 0 | 0 | 0 | 115.4 | N248 | N248-P250 VanDerWaalsContact O-CD 3.25Å; N248-P250 WeakPolarHBondContact O-CD 3.35Å |
| 251 | L | 58 | Low | 66.8 | Low | 85 Ų | 85 | 85.1 Ų | 85.1 | 45% | 0.445 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 3.2 | -172.1 | -82.8 | 97.9 | 0 | 0 | 0 | 115.9 | L249 V253 | L249-L251 PolarHBondContact O-N 3.37Å; L251-V253 HydrophobicContact CB-CG2 4.39Å; L251-V253 PolarHBondContact O-N 3.37Å |
| 252 | G | 64.3 | Low | 67.5 | Low | 74 Ų | 74 | 87.5 Ų | 87.5 | 76% | 0.763 | 53% | 0.528 | S | S | * | . | trans | 61.9 | 9.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 253 | V | 68 | Low | 68.5 | Low | 64 Ų | 64 | 83.5 Ų | 83.5 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | trans | -88.5 | 123.1 | 174.3 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | L251 F260 | L251-V253 HydrophobicContact CB-CG2 4.39Å; L251-V253 PolarHBondContact O-N 3.37Å; V253-F260 HydrophobicContact CG1-CB 4.41Å | ||
| 254 | P | 70.6 | Confident | 69.7 | Low | 78 Ų | 78 | 85.4 Ų | 85.4 | 51% | 0.506 | 51% | 0.512 | S | S | . | . | trans | -65.7 | 139 | -179.7 | 26.2 | -33.1 | 0 | 0 | 0 | 110.5 | S256 S257 | P254-S256 PolarHBondContact O-N 3.44Å; P254-S257 VanDerWaalsContact O-CB 3.22Å; P254-S257 WeakPolarHBondContact O-CB 3.4Å; P254-S257 PolarHBondContact O-N 3.27Å | ||
| 255 | I | 76.2 | Confident | 71.1 | Confident | 89 Ų | 89 | 89.5 Ų | 89.5 | 46% | 0.456 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.8 | 178.6 | -53.1 | 169.2 | 0 | 0 | 0 | 111.5 | P246 L249 S257 F260 | P246-I255 HydrophobicContact CG-CD1 4.32Å; L249-I255 HydrophobicContact CD1-CD1 3.63Å; L249-I255 HydrophobicContact CD1-CG1 3.62Å; L249-I255 HydrophobicContact CD2-CG1 3.95Å; L249-I255 HydrophobicContact CG-CG1 4.45Å; I255-S257 VanDerWaalsContact C-N 3.28Å; I255-S257 PolarHBondContact O-N 3.44Å; I255-F260 HydrophobicContact CB-CD1 4.36Å; I255-F260 HydrophobicContact CB-CE1 4.28Å; I255-F260 HydrophobicContact CG1-CE1 4.45Å; I255-F260 HydrophobicContact CG2-CD1 4.01Å; I255-F260 HydrophobicContact CG2-CE1 3.76Å |
| 256 | S | 80.1 | Confident | 72.6 | Confident | 88 Ų | 88 | 85.8 Ų | 85.8 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18.7 | 178 | 58.3 | 0 | 0 | 0 | 0 | 114 | P254 | P254-S256 PolarHBondContact O-N 3.44Š|
| 257 | S | 84.8 | Confident | 74.2 | Confident | 36 Ų | 36 | 85.4 Ų | 85.4 | 25% | 0.252 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -60.9 | 132.4 | -177 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | P254 I255 G259 F260 K261 | P254-S257 VanDerWaalsContact O-CB 3.22Å; P254-S257 WeakPolarHBondContact O-CB 3.4Å; P254-S257 PolarHBondContact O-N 3.27Å; I255-S257 VanDerWaalsContact C-N 3.28Å; I255-S257 PolarHBondContact O-N 3.44Å; S257-G259 PolarHBondContact O-N 3.23Å; S257-G259 PolarHBondContact OG-N 3.44Å; S257-F260 WeakPolarHBondContact O-CB 3.47Å; S257-F260 PolarHBondContact O-N 2.95Å; S257-K261 PolarHBondContact O-N 2.82Å |
| 258 | P | 85.9 | Confident | 75.7 | Confident | 98 Ų | 98 | 81 Ų | 81 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -53 | -34.9 | 171.6 | -25.6 | 34 | 0 | 0 | 0 | 112.7 | K261 L262 | P258-K261 PolarHBondContact O-N 3.38Å; P258-L262 WeakPolarHBondContact O-CG 3.25Å; P258-L262 PolarHBondContact O-N 2.89Å |
| 259 | G | 84.4 | Confident | 77.2 | Confident | 33 Ų | 33 | 80.2 Ų | 80.2 | 34% | 0.34 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S257 L262 L263 | S257-G259 PolarHBondContact O-N 3.23Å; S257-G259 PolarHBondContact OG-N 3.44Å; G259-L262 PolarHBondContact O-N 3.05Å; G259-L263 WeakPolarHBondContact O-CG 3.26Å; G259-L263 PolarHBondContact O-N 3.34Å |
| 260 | F | 83.5 | Confident | 78.3 | Confident | 15 Ų | 15 | 80.3 Ų | 80.3 | 7% | 0.066 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 175.5 | -174 | -96.5 | 0 | 0 | 0 | 111.1 | L249 V253 I255 S257 L262 L263 L264 W268 P270 | L249-F260 HydrophobicContact CD2-CD2 4.45Å; L249-F260 HydrophobicContact CD2-CE2 3.66Å; L249-F260 HydrophobicContact CD2-CZ 3.89Å; V253-F260 HydrophobicContact CG1-CB 4.41Å; I255-F260 HydrophobicContact CB-CD1 4.36Å; I255-F260 HydrophobicContact CB-CE1 4.28Å; I255-F260 HydrophobicContact CG1-CE1 4.45Å; I255-F260 HydrophobicContact CG2-CD1 4.01Å; I255-F260 HydrophobicContact CG2-CE1 3.76Å; S257-F260 WeakPolarHBondContact O-CB 3.47Å; S257-F260 PolarHBondContact O-N 2.95Å; F260-L262 VanDerWaalsContact C-N 3.33Å; F260-L262 PolarHBondContact O-N 3.44Å; F260-L263 PolarHBondContact O-N 3.44Å; F260-L264 HydrophobicContact CD1-CD1 3.83Å; F260-L264 HydrophobicContact CD1-CG 4.32Å; F260-L264 HydrophobicContact CE1-CD1 3.41Å; F260-L264 VanDerWaalsContact CE1-CD1 3.41Å; F260-L264 HydrophobicContact CE1-CD2 4.49Å; F260-L264 HydrophobicContact CE1-CG 4Å; F260-L264 HydrophobicContact CZ-CD1 4.17Å; F260-L264 HydrophobicContact CZ-CD2 4.47Å; F260-L264 HydrophobicContact CZ-CG 4.39Å; F260-L264 WeakPolarHBondContact O-CG 3.19Å; F260-L264 PolarHBondContact O-N 3.48Å; F260-W268 HydrophobicContact CD2-CZ3 4.35Å; F260-W268 AromaticContact CE2-CZ3 3.92Å; F260-W268 HydrophobicContact CE2-CZ3 3.92Å; F260-P270 HydrophobicContact CE2-CG 4.44Å; F260-P270 HydrophobicContact CZ-CG 4.09Å |
| 261 | K | 85 | Confident | 79.2 | Confident | 121 Ų | 121 | 77.9 Ų | 77.9 | 53% | 0.526 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -35.7 | 175.6 | -64.4 | 177 | -177 | 173.4 | 0 | 112.6 | S257 P258 R265 | S257-K261 PolarHBondContact O-N 2.82Å; P258-K261 PolarHBondContact O-N 3.38Å; K261-R265 WeakPolarHBondContact O-CB 3.47Å; K261-R265 WeakPolarHBondContact O-CG 3.3Å; K261-R265 PolarHBondContact O-N 2.92Å |
| 262 | L | 86.5 | Confident | 80.2 | Confident | 118 Ų | 118 | 77.9 Ų | 77.9 | 62% | 0.618 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.3 | -41.9 | 175 | -77.3 | 167.1 | 0 | 0 | 0 | 112 | P258 G259 F260 R265 G266 | P258-L262 WeakPolarHBondContact O-CG 3.25Å; P258-L262 PolarHBondContact O-N 2.89Å; G259-L262 PolarHBondContact O-N 3.05Å; F260-L262 VanDerWaalsContact C-N 3.33Å; F260-L262 PolarHBondContact O-N 3.44Å; L262-R265 PolarHBondContact O-N 2.92Å; L262-G266 PolarHBondContact O-N 3.38Å |
| 263 | L | 84.6 | Confident | 80.9 | Confident | 65 Ų | 65 | 74.5 Ų | 74.5 | 34% | 0.34 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 175.5 | -78 | 164.5 | 0 | 0 | 0 | 111.5 | G259 F260 R265 G266 G267 W268 L274 | G259-L263 WeakPolarHBondContact O-CG 3.26Å; G259-L263 PolarHBondContact O-N 3.34Å; F260-L263 PolarHBondContact O-N 3.44Å; L263-R265 VanDerWaalsContact C-N 3.31Å; L263-R265 PolarHBondContact O-N 3.32Å; L263-G266 CarbonylContact O-C 3.56Å; L263-G266 WeakPolarHBondContact O-CA 3.43Å; L263-G266 PolarHBondContact O-N 3.22Å; L263-G267 PolarHBondContact O-N 2.81Å; L263-W268 HydrophobicContact CB-CB 4.18Å; L263-W268 HydrophobicContact CB-CD2 4.17Å; L263-W268 HydrophobicContact CB-CE3 3.77Å; L263-W268 HydrophobicContact CB-CG 4.38Å; L263-W268 HydrophobicContact CD1-CE3 4.42Å; L263-W268 HydrophobicContact CD2-CB 4.26Å; L263-W268 HydrophobicContact CD2-CD2 4.4Å; L263-W268 HydrophobicContact CD2-CG 4.18Å; L263-W268 WeakPolarHBondContact O-CB 3.02Å; L263-W268 PolarHBondContact O-N 3.49Å; L263-W268 VanDerWaalsContact O-N 3.11Å; L263-L274 HydrophobicContact CD2-CD2 3.44Å; L263-L274 VanDerWaalsContact CD2-CD2 3.44Å |
| 264 | L | 84.5 | Confident | 81.5 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 40% | 0.398 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 175.5 | -70.2 | 178.3 | 0 | 0 | 0 | 112.1 | F260 G266 G267 P270 | F260-L264 HydrophobicContact CD1-CD1 3.83Å; F260-L264 HydrophobicContact CD1-CG 4.32Å; F260-L264 HydrophobicContact CE1-CD1 3.41Å; F260-L264 VanDerWaalsContact CE1-CD1 3.41Å; F260-L264 HydrophobicContact CE1-CD2 4.49Å; F260-L264 HydrophobicContact CE1-CG 4Å; F260-L264 HydrophobicContact CZ-CD1 4.17Å; F260-L264 HydrophobicContact CZ-CD2 4.47Å; F260-L264 HydrophobicContact CZ-CG 4.39Å; F260-L264 WeakPolarHBondContact O-CG 3.19Å; F260-L264 PolarHBondContact O-N 3.48Å; L264-G266 PolarHBondContact O-N 2.92Å; L264-G267 PolarHBondContact O-N 3.31Å; L264-G267 VanDerWaalsContact O-N 3.17Å; L264-P270 HydrophobicContact CD2-CG 4.27Å |
| 265 | R | 85.8 | Confident | 81.8 | Confident | 220 Ų | 220 | 75.2 Ų | 75.2 | 83% | 0.83 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.8 | -28.3 | 174.6 | -81.6 | -177.7 | 170.5 | -178.5 | -2.8 | 113.1 | K261 L262 L263 G267 | K261-R265 WeakPolarHBondContact O-CB 3.47Å; K261-R265 WeakPolarHBondContact O-CG 3.3Å; K261-R265 PolarHBondContact O-N 2.92Å; L262-R265 PolarHBondContact O-N 2.92Å; L263-R265 VanDerWaalsContact C-N 3.31Å; L263-R265 PolarHBondContact O-N 3.32Å; R265-G267 VanDerWaalsContact C-N 3.26Å; R265-G267 PolarHBondContact O-N 2.83Å |
| 266 | G | 83.2 | Confident | 81.8 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 71% | 0.711 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 5.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | L262 L263 L264 | L262-G266 PolarHBondContact O-N 3.38Å; L263-G266 CarbonylContact O-C 3.56Å; L263-G266 WeakPolarHBondContact O-CA 3.43Å; L263-G266 PolarHBondContact O-N 3.22Å; L264-G266 PolarHBondContact O-N 2.92Å |
| 267 | G | 83 | Confident | 81.7 | Confident | 63 Ų | 63 | 83.1 Ų | 83.1 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 17.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L263 L264 R265 | L263-G267 PolarHBondContact O-N 2.81Å; L264-G267 PolarHBondContact O-N 3.31Å; L264-G267 VanDerWaalsContact O-N 3.17Å; R265-G267 VanDerWaalsContact C-N 3.26Å; R265-G267 PolarHBondContact O-N 2.83Å |
| 268 | W | 82.3 | Confident | 81.4 | Confident | 29 Ų | 29 | 82.4 Ų | 82.4 | 11% | 0.11 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 128.3 | 173.2 | 177.6 | 84 | 0 | 0 | 0 | 110.7 | F260 L263 P270 M272 | F260-W268 HydrophobicContact CD2-CZ3 4.35Å; F260-W268 AromaticContact CE2-CZ3 3.92Å; F260-W268 HydrophobicContact CE2-CZ3 3.92Å; L263-W268 HydrophobicContact CB-CB 4.18Å; L263-W268 HydrophobicContact CB-CD2 4.17Å; L263-W268 HydrophobicContact CB-CE3 3.77Å; L263-W268 HydrophobicContact CB-CG 4.38Å; L263-W268 HydrophobicContact CD1-CE3 4.42Å; L263-W268 HydrophobicContact CD2-CB 4.26Å; L263-W268 HydrophobicContact CD2-CD2 4.4Å; L263-W268 HydrophobicContact CD2-CG 4.18Å; L263-W268 WeakPolarHBondContact O-CB 3.02Å; L263-W268 PolarHBondContact O-N 3.49Å; L263-W268 VanDerWaalsContact O-N 3.11Å; W268-P270 HydrophobicContact CH2-CB 4.34Å; W268-P270 HydrophobicContact CZ3-CB 4.28Å; W268-P270 HydrophobicContact CZ3-CG 4.13Å; W268-M272 PolarHBondContact NE1-O 2.87Å |
| 269 | E | 80.7 | Confident | 81.1 | Confident | 120 Ų | 120 | 84.8 Ų | 84.8 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -96 | 136.9 | 175.5 | -71.9 | -66 | 150.9 | 0 | 0 | 111.3 | G271 M272 | E269-G271 PolarHBondContact O-N 3.13Å; E269-G271 VanDerWaalsContact O-N 3.16Å; E269-M272 HydrophobicContact CB-CG 4.06Å; E269-M272 HydrophobicContact CB-SD 3.94Å; E269-M272 HydrophobicContact CG-SD 4.46Å; E269-M272 WeakPolarHBondContact O-CB 3.15Å; E269-M272 PolarHBondContact O-N 3.17Å |
| 270 | P | 76.6 | Confident | 80.8 | Confident | 57 Ų | 57 | 84.6 Ų | 84.6 | 37% | 0.37 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 119.8 | 176.5 | -25.4 | 34.7 | 0 | 0 | 0 | 112.7 | F260 L264 W268 | F260-P270 HydrophobicContact CE2-CG 4.44Å; F260-P270 HydrophobicContact CZ-CG 4.09Å; L264-P270 HydrophobicContact CD2-CG 4.27Å; W268-P270 HydrophobicContact CH2-CB 4.34Å; W268-P270 HydrophobicContact CZ3-CB 4.28Å; W268-P270 HydrophobicContact CZ3-CG 4.13Å |
| 271 | G | 76.1 | Confident | 80.3 | Confident | 37 Ų | 37 | 93.3 Ų | 93.3 | 38% | 0.381 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.2 | -12.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | E269 A282 | E269-G271 PolarHBondContact O-N 3.13Å; E269-G271 VanDerWaalsContact O-N 3.16Å; G271-A282 WeakPolarHBondContact O-CB 3.46Å |
| 272 | M | 78 | Confident | 79.8 | Confident | 86 Ų | 86 | 89 Ų | 89 | 42% | 0.424 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -80.4 | 153.8 | 168.8 | -64.7 | -169 | 86.2 | 0 | 0 | 111.5 | W268 E269 | W268-M272 PolarHBondContact NE1-O 2.87Å; E269-M272 HydrophobicContact CB-CG 4.06Å; E269-M272 HydrophobicContact CB-SD 3.94Å; E269-M272 HydrophobicContact CG-SD 4.46Å; E269-M272 WeakPolarHBondContact O-CB 3.15Å; E269-M272 PolarHBondContact O-N 3.17Å |
| 273 | G | 79.6 | Confident | 79.1 | Confident | 3 Ų | 3 | 89.5 Ų | 89.5 | 3% | 0.031 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 154.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G275 G278 G280 | G273-G275 PolarHBondContact O-N 3.31Å; G273-G278 PolarHBondContact N-O 3.29Å; G273-G278 WeakPolarHBondContact O-CA 3.2Å; G273-G280 WeakPolarHBondContact CA-O 3.35Å |
| 274 | L | 79.6 | Confident | 78.5 | Confident | 118 Ų | 118 | 91.2 Ų | 91.2 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -68.7 | 116.2 | 167.3 | -69 | 170.3 | 0 | 0 | 0 | 109.8 | L263 G280 | L263-L274 HydrophobicContact CD2-CD2 3.44Å; L263-L274 VanDerWaalsContact CD2-CD2 3.44Å; L274-G280 WeakPolarHBondContact O-CA 3.33Å; L274-G280 PolarHBondContact O-N 3.19Å |
| 275 | G | 78.2 | Confident | 77.9 | Confident | 39 Ų | 39 | 94 Ų | 94 | 40% | 0.402 | 52% | 0.523 | S | S | . | . | S | Bend | trans | 163.2 | 159.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | G273 R277 G278 | G273-G275 PolarHBondContact O-N 3.31Å; G275-R277 PolarHBondContact O-N 3.33Å; G275-G278 PolarHBondContact O-N 2.77Å |
| 276 | P | 74.9 | Confident | 77.2 | Confident | 139 Ų | 139 | 85.6 Ų | 85.6 | 90% | 0.903 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.9 | -175.4 | 22.8 | -32.1 | 0 | 0 | 0 | 114.2 | ||
| 277 | R | 78.3 | Confident | 76.7 | Confident | 204 Ų | 204 | 86.7 Ų | 86.7 | 77% | 0.77 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | 11.4 | 174.3 | -60.2 | -178.7 | -177.7 | -130 | 1.7 | 113 | G275 E279 | G275-R277 PolarHBondContact O-N 3.33Å; R277-E279 VanDerWaalsContact C-N 3.32Å; R277-E279 HydrophobicContact CB-CG 4.04Å; R277-E279 WeakPolarHBondContact CD-OE1 3.25Å |
| 278 | G | 78.1 | Confident | 76.2 | Confident | 20 Ų | 20 | 86.8 Ų | 86.8 | 21% | 0.206 | 48% | 0.479 | C | S | . | . | S | Bend | trans | 74.1 | 18.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G273 G275 G280 | G273-G278 PolarHBondContact N-O 3.29Å; G273-G278 WeakPolarHBondContact O-CA 3.2Å; G275-G278 PolarHBondContact O-N 2.77Å; G278-G280 PolarHBondContact O-N 3.46Å |
| 279 | E | 79.8 | Confident | 75.7 | Confident | 149 Ų | 149 | 89 Ų | 89 | 70% | 0.696 | 49% | 0.492 | S | S | * | . | trans | -69 | -12.9 | -175.4 | -71.3 | 170 | -168.1 | 0 | 0 | 114.7 | R277 | R277-E279 VanDerWaalsContact C-N 3.32Å; R277-E279 HydrophobicContact CB-CG 4.04Å; R277-E279 WeakPolarHBondContact CD-OE1 3.25Å | ||
| 280 | G | 77.5 | Confident | 75.4 | Confident | 29 Ų | 29 | 87.5 Ų | 87.5 | 30% | 0.299 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -65.1 | 168.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G273 L274 G278 A282 | G273-G280 WeakPolarHBondContact CA-O 3.35Å; L274-G280 WeakPolarHBondContact O-CA 3.33Å; L274-G280 PolarHBondContact O-N 3.19Å; G278-G280 PolarHBondContact O-N 3.46Å; G280-A282 PolarHBondContact O-N 3.22Å |
| 281 | R | 74.9 | Confident | 75.1 | Confident | 197 Ų | 197 | 91.2 Ų | 91.2 | 74% | 0.743 | 49% | 0.49 | S | S | * | . | trans | -75.9 | 119.9 | 171.5 | -63.9 | 179.2 | -178.9 | -130.8 | 0.3 | 108.8 | ||||
| 282 | A | 74.5 | Confident | 75 | Confident | 32 Ų | 32 | 93 Ų | 93 | 26% | 0.264 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -76.5 | -33.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G271 G280 | G271-A282 WeakPolarHBondContact O-CB 3.46Å; G280-A282 PolarHBondContact O-N 3.22Å |
| 283 | N | 70.4 | Confident | 74.9 | Confident | 128 Ų | 128 | 96.6 Ų | 96.6 | 68% | 0.684 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -89.2 | 147.4 | -179.9 | -64.2 | -34.5 | 0 | 0 | 0 | 110.9 | ||
| 284 | P | 72.3 | Confident | 74.9 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 66% | 0.656 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 152.7 | 174.3 | 25.1 | -33.9 | 0 | 0 | 0 | 111.2 | ||
| 285 | I | 73 | Confident | 74.7 | Confident | 133 Ų | 133 | 96.3 Ų | 96.3 | 68% | 0.682 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 122.8 | 178.1 | -61.3 | 170.9 | 0 | 0 | 0 | 108.1 | T287 | I285-T287 PolarHBondContact O-N 2.92Š|
| 286 | P | 70.6 | Confident | 74.4 | Confident | 44 Ų | 44 | 102.3 Ų | 102.3 | 29% | 0.286 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 125.8 | 180 | 28.4 | -34.7 | 0 | 0 | 0 | 109 | P304 V306 | P286-P304 HydrophobicContact CB-CB 4.07Å; P286-P304 HydrophobicContact CG-CB 4.04Å; P286-P304 HydrophobicContact CG-CG 4.23Å; P286-V306 HydrophobicContact CB-CG2 4.12Å |
| 287 | T | 72.8 | Confident | 74.2 | Confident | 93 Ų | 93 | 99.3 Ų | 99.3 | 57% | 0.571 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -94 | 150.1 | 178.3 | 55.9 | 0 | 0 | 0 | 0 | 110.4 | I285 R305 | I285-T287 PolarHBondContact O-N 2.92Å; T287-R305 CarbonylContact O-C 3.57Å |
| 288 | V | 71.9 | Confident | 74 | Confident | 65 Ų | 65 | 97.2 Ų | 97.2 | 39% | 0.394 | 53% | 0.525 | S | S | . | . | trans | -116.9 | 124.4 | 172.8 | -162.5 | 0 | 0 | 0 | 0 | 108.8 | K290 P302 P304 | V288-K290 PolarHBondContact O-N 2.84Å; V288-P302 HydrophobicContact CG1-CB 4.36Å; V288-P302 HydrophobicContact CG1-CG 3.96Å; V288-P304 HydrophobicContact CG2-CB 3.47Å; V288-P304 VanDerWaalsContact CG2-CB 3.47Å | ||
| 289 | L | 72.5 | Confident | 73.7 | Confident | 74 Ų | 74 | 104 Ų | 104 | 39% | 0.387 | 54% | 0.544 | S | S | . | . | trans | -69 | 103.1 | 170.3 | -175.7 | 70.5 | 0 | 0 | 0 | 109 | R291 F309 | L289-R291 HydrophobicContact CD2-CG 4.3Å; L289-R291 HydrophobicContact CG-CG 4.34Å; L289-R291 PolarHBondContact O-N 3.37Å; L289-F309 HydrophobicContact CD2-CE2 3.88Å; L289-F309 HydrophobicContact CD2-CZ 3.79Å | ||
| 290 | K | 73.4 | Confident | 73.2 | Confident | 90 Ų | 90 | 102.8 Ų | 102.8 | 39% | 0.391 | 55% | 0.552 | S | S | . | * | trans | -70.2 | 121.2 | 174.3 | -164.6 | 177.9 | 179.6 | 170.4 | 0 | 109.8 | V288 D292 E294 L296 | V288-K290 PolarHBondContact O-N 2.84Å; K290-D292 WeakPolarHBondContact CE-OD2 3.42Å; K290-D292 WeakPolarHBondContact CG-OD1 3.45Å; K290-E294 WeakPolarHBondContact CE-O 3.38Å; K290-E294 PolarHBondContact NZ-O 3.25Å; K290-L296 HydrophobicContact CD-CD2 4.39Å | ||
| 291 | R | 71.6 | Confident | 72.6 | Confident | 135 Ų | 135 | 105.5 Ų | 105.5 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | trans | -115.5 | -8.3 | 178.6 | -72.7 | -174.3 | 171.5 | 168 | -3.2 | 113.3 | L289 R315 | L289-R291 HydrophobicContact CD2-CG 4.3Å; L289-R291 HydrophobicContact CG-CG 4.34Å; L289-R291 PolarHBondContact O-N 3.37Å; R291-R315 PolarHBondContact NH2-O 2.78Å | ||
| 292 | D | 73.7 | Confident | 72.2 | Confident | 73 Ų | 73 | 100 Ų | 100 | 39% | 0.39 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -86.8 | 162.3 | 176.5 | 58.5 | -60.2 | 0 | 0 | 0 | 111.4 | K290 E294 | K290-D292 WeakPolarHBondContact CE-OD2 3.42Å; K290-D292 WeakPolarHBondContact CG-OD1 3.45Å; D292-E294 HydrophobicContact CB-CG 4.42Å; D292-E294 WeakPolarHBondContact OD2-CB 3.27Å; D292-E294 PolarHBondContact OD2-N 2.82Å |
| 293 | Q | 76.1 | Confident | 71.8 | Confident | 162 Ų | 162 | 106.7 Ų | 106.7 | 76% | 0.757 | 59% | 0.587 | S | S | * | * | trans | -100.7 | 9.3 | 174.2 | -62.7 | -171.2 | -15.7 | 0 | 0 | 112 | ||||
| 294 | E | 78.5 | Confident | 71.5 | Confident | 66 Ų | 66 | 104.1 Ų | 104.1 | 31% | 0.308 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -73.7 | 160.3 | -179.3 | -56.5 | -177.2 | 162.7 | 0 | 0 | 109.8 | K290 D292 Y298 R299 | K290-E294 WeakPolarHBondContact CE-O 3.38Å; K290-E294 PolarHBondContact NZ-O 3.25Å; D292-E294 HydrophobicContact CB-CG 4.42Å; D292-E294 WeakPolarHBondContact OD2-CB 3.27Å; D292-E294 PolarHBondContact OD2-N 2.82Å; E294-Y298 HydrophobicContact CB-CD1 3.99Å; E294-Y298 HydrophobicContact CB-CG 4.49Å; E294-Y298 HydrophobicContact CG-CD1 4.08Å; E294-R299 IonicContact OE1-CZ 3.4Å; E294-R299 IonicContact OE1-NE 3.38Å; E294-R299 PolarHBondContact OE1-NE 3.34Å; E294-R299 IonicContact OE1-NH1 3.94Å; E294-R299 IonicContact OE1-NH2 3.63Å; E294-R299 VanDerWaalsContact OE2-CD 3.25Å; E294-R299 WeakPolarHBondContact OE2-CD 3.31Å; E294-R299 IonicContact OE2-NE 3.47Å; E294-R299 PolarHBondContact OE2-NE 2.85Å |
| 295 | G | 75.1 | Confident | 71 | Confident | 50 Ų | 50 | 108.4 Ų | 108.4 | 52% | 0.515 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 157.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G297 Y298 | G295-G297 PolarHBondContact O-N 3.37Å; G295-Y298 PolarHBondContact O-N 2.98Å |
| 296 | L | 71.9 | Confident | 70.5 | Confident | 164 Ų | 164 | 105.8 Ų | 105.8 | 86% | 0.859 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 129.5 | 163.6 | -67.2 | 169.9 | 0 | 0 | 0 | 107.8 | K290 | K290-L296 HydrophobicContact CD-CD2 4.39Š|
| 297 | G | 71.9 | Confident | 70 | Confident | 77 Ų | 77 | 106.4 Ų | 106.4 | 79% | 0.794 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.7 | -4.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | G295 R299 | G295-G297 PolarHBondContact O-N 3.37Å; G297-R299 VanDerWaalsContact C-N 3.34Å; G297-R299 PolarHBondContact O-N 3.06Å |
| 298 | Y | 73.8 | Confident | 69.7 | Low | 159 Ų | 159 | 109.8 Ų | 109.8 | 62% | 0.624 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -68.4 | -30.7 | -178.1 | -177.1 | -111.1 | 0 | 0 | 0 | 113.9 | E294 G295 | E294-Y298 HydrophobicContact CB-CD1 3.99Å; E294-Y298 HydrophobicContact CB-CG 4.49Å; E294-Y298 HydrophobicContact CG-CD1 4.08Å; G295-Y298 PolarHBondContact O-N 2.98Å |
| 299 | R | 70.9 | Confident | 69.6 | Low | 163 Ų | 163 | 110.1 Ų | 110.1 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -134.9 | 158.9 | 175.1 | -66.3 | -174.1 | -178.5 | -169.5 | 0.6 | 109.6 | E294 G297 A301 | E294-R299 IonicContact OE1-CZ 3.4Å; E294-R299 IonicContact OE1-NE 3.38Å; E294-R299 PolarHBondContact OE1-NE 3.34Å; E294-R299 IonicContact OE1-NH1 3.94Å; E294-R299 IonicContact OE1-NH2 3.63Å; E294-R299 VanDerWaalsContact OE2-CD 3.25Å; E294-R299 WeakPolarHBondContact OE2-CD 3.31Å; E294-R299 IonicContact OE2-NE 3.47Å; E294-R299 PolarHBondContact OE2-NE 2.85Å; G297-R299 VanDerWaalsContact C-N 3.34Å; G297-R299 PolarHBondContact O-N 3.06Å; R299-A301 PolarHBondContact O-N 3.26Å; R299-A301 VanDerWaalsContact O-N 3.13Å |
| 300 | S | 69.8 | Low | 69.5 | Low | 123 Ų | 123 | 110.9 Ų | 110.9 | 86% | 0.86 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -47.7 | 122.9 | 172.1 | -53.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 301 | A | 65.6 | Low | 69.4 | Low | 86 Ų | 86 | 110.6 Ų | 110.6 | 71% | 0.711 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 131.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | R299 Q303 | R299-A301 PolarHBondContact O-N 3.26Å; R299-A301 VanDerWaalsContact O-N 3.13Å; A301-Q303 PolarHBondContact O-N 3.29Å |
| 302 | P | 66.8 | Low | 68.9 | Low | 83 Ų | 83 | 116 Ų | 116 | 54% | 0.539 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 142 | 174.3 | 21.4 | -31.8 | 0 | 0 | 0 | 109.9 | V288 P304 | V288-P302 HydrophobicContact CG1-CB 4.36Å; V288-P302 HydrophobicContact CG1-CG 3.96Å; P302-P304 WeakPolarHBondContact O-CD 3.38Å; P302-P304 VanDerWaalsContact O-N 3.08Å |
| 303 | Q | 65.2 | Low | 69 | Low | 171 Ų | 171 | 114.7 Ų | 114.7 | 80% | 0.799 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118.4 | -177.7 | -73.5 | -167.6 | -7.8 | 0 | 0 | 110.3 | A301 R305 | A301-Q303 PolarHBondContact O-N 3.29Å; Q303-R305 PolarHBondContact O-N 3.21Å |
| 304 | P | 64.6 | Low | 69 | Low | 75 Ų | 75 | 112.5 Ų | 112.5 | 49% | 0.487 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -70.2 | 119.7 | -173.4 | 27.7 | -34.2 | 0 | 0 | 0 | 110.4 | P286 V288 P302 | P286-P304 HydrophobicContact CB-CB 4.07Å; P286-P304 HydrophobicContact CG-CB 4.04Å; P286-P304 HydrophobicContact CG-CG 4.23Å; V288-P304 HydrophobicContact CG2-CB 3.47Å; V288-P304 VanDerWaalsContact CG2-CB 3.47Å; P302-P304 WeakPolarHBondContact O-CD 3.38Å; P302-P304 VanDerWaalsContact O-N 3.08Å |
| 305 | R | 60.5 | Low | 68.8 | Low | 190 Ų | 190 | 117.7 Ų | 117.7 | 72% | 0.717 | 63% | 0.631 | S | S | * | * | trans | -119.9 | 130.3 | 176 | -77.1 | 176.9 | 65.2 | -166.6 | 1.1 | 108.4 | T287 Q303 T307 | T287-R305 CarbonylContact O-C 3.57Å; Q303-R305 PolarHBondContact O-N 3.21Å; R305-T307 PolarHBondContact O-N 3.41Å | ||
| 306 | V | 62.6 | Low | 68.6 | Low | 79 Ų | 79 | 117.1 Ų | 117.1 | 48% | 0.479 | 62% | 0.622 | S | S | . | * | trans | -56.9 | 100.9 | 170.2 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | P286 H308 | P286-V306 HydrophobicContact CB-CG2 4.12Å; V306-H308 WeakPolarHBondContact CG1-CD2 3.45Å; V306-H308 WeakPolarHBondContact CG1-NE2 3.28Å; V306-H308 PolarHBondContact O-N 3.07Å | ||
| 307 | T | 61.8 | Low | 68.5 | Low | 56 Ų | 56 | 115.5 Ų | 115.5 | 34% | 0.344 | 62% | 0.618 | S | S | . | * | trans | -95.6 | 76.6 | 178.2 | 43.4 | 0 | 0 | 0 | 0 | 108 | R305 F309 | R305-T307 PolarHBondContact O-N 3.41Å; T307-F309 PolarHBondContact O-N 3.42Å | ||
| 308 | H | 65.5 | Low | 68.3 | Low | 164 Ų | 164 | 114.6 Ų | 114.6 | 76% | 0.759 | 60% | 0.603 | S | S | * | * | trans | -78.7 | 108.8 | 163.7 | -64.2 | -52.3 | 0 | 0 | 0 | 107.7 | V306 | V306-H308 WeakPolarHBondContact CG1-CD2 3.45Å; V306-H308 WeakPolarHBondContact CG1-NE2 3.28Å; V306-H308 PolarHBondContact O-N 3.07Å | ||
| 309 | F | 69 | Low | 68.1 | Low | 73 Ų | 73 | 110 Ų | 110 | 32% | 0.32 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -82 | 136.6 | 166 | -63.1 | -82.2 | 0 | 0 | 0 | 108.1 | L289 T307 D313 R315 A316 | L289-F309 HydrophobicContact CD2-CE2 3.88Å; L289-F309 HydrophobicContact CD2-CZ 3.79Å; T307-F309 PolarHBondContact O-N 3.42Å; F309-D313 HydrophobicContact CB-CB 4.05Å; F309-D313 HydrophobicContact CD1-CB 4.4Å; F309-R315 HydrophobicContact CE1-CB 4.35Å; F309-A316 HydrophobicContact CB-CB 4.01Å; F309-A316 HydrophobicContact CD1-CB 3.96Å; F309-A316 HydrophobicContact CD2-CB 3.8Å; F309-A316 HydrophobicContact CE1-CB 4.39Å; F309-A316 HydrophobicContact CE2-CB 4.26Å; F309-A316 HydrophobicContact CG-CB 3.64Å |
| 310 | P | 70.7 | Confident | 67.8 | Low | 89 Ų | 89 | 112.4 Ų | 112.4 | 58% | 0.578 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -62 | 155.9 | 169.7 | 24 | -27.7 | 0 | 0 | 0 | 110 | W312 D313 | P310-W312 PolarHBondContact O-N 3.48Å; P310-D313 HydrophobicContact CG-CB 3.97Å; P310-D313 WeakPolarHBondContact O-CB 3.42Å; P310-D313 PolarHBondContact O-N 3.24Å; P310-D313 VanDerWaalsContact O-N 3.09Å |
| 311 | A | 71.6 | Confident | 67.5 | Low | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 135.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | D313 | A311-D313 VanDerWaalsContact C-N 3.32Å; A311-D313 PolarHBondContact O-N 3.04Å |
| 312 | W | 60.8 | Low | 67.3 | Low | 249 Ų | 249 | 120.1 Ų | 120.1 | 94% | 0.943 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.3 | 13.6 | -178.4 | -42.8 | 97.5 | 0 | 0 | 0 | 116.4 | P310 T314 | P310-W312 PolarHBondContact O-N 3.48Å; W312-T314 PolarHBondContact O-N 3.18Å; W312-T314 VanDerWaalsContact O-N 3.1Å |
| 313 | D | 76.9 | Confident | 67.1 | Low | 45 Ų | 45 | 121.5 Ų | 121.5 | 24% | 0.241 | 62% | 0.622 | C | S | . | * | trans | -69.7 | 108.7 | 171.7 | -165.9 | -11.4 | 0 | 0 | 0 | 111.1 | F309 P310 A311 R315 A316 | F309-D313 HydrophobicContact CB-CB 4.05Å; F309-D313 HydrophobicContact CD1-CB 4.4Å; P310-D313 HydrophobicContact CG-CB 3.97Å; P310-D313 WeakPolarHBondContact O-CB 3.42Å; P310-D313 PolarHBondContact O-N 3.24Å; P310-D313 VanDerWaalsContact O-N 3.09Å; A311-D313 VanDerWaalsContact C-N 3.32Å; A311-D313 PolarHBondContact O-N 3.04Å; D313-R315 PolarHBondContact O-N 2.85Å; D313-R315 VanDerWaalsContact O-N 3.12Å; D313-R315 WeakPolarHBondContact OD1-CB 3.38Å; D313-R315 VanDerWaalsContact OD1-CG 3.26Å; D313-R315 WeakPolarHBondContact OD1-CG 3.21Å; D313-R315 PolarHBondContact OD1-N 3.16Å; D313-A316 VanDerWaalsContact O-CB 3.3Å; D313-A316 WeakPolarHBondContact O-CB 3.22Å; D313-A316 PolarHBondContact O-N 3.21Å | ||
| 314 | T | 75.4 | Confident | 66.9 | Low | 115 Ų | 115 | 117.5 Ų | 117.5 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -61.2 | -20.7 | 177.3 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | W312 A316 V317 A318 | W312-T314 PolarHBondContact O-N 3.18Å; W312-T314 VanDerWaalsContact O-N 3.1Å; T314-A316 PolarHBondContact O-N 3.35Å; T314-V317 PolarHBondContact O-N 3.32Å; T314-A318 PolarHBondContact O-N 3.03Å |
| 315 | R | 73.4 | Confident | 66.6 | Low | 176 Ų | 176 | 123.1 Ų | 123.1 | 66% | 0.664 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -67.2 | -21.7 | 175.4 | -61.2 | 174.2 | 172.4 | -174.9 | -0.6 | 112.9 | R291 F309 D313 V317 | R291-R315 PolarHBondContact NH2-O 2.78Å; F309-R315 HydrophobicContact CE1-CB 4.35Å; D313-R315 PolarHBondContact O-N 2.85Å; D313-R315 VanDerWaalsContact O-N 3.12Å; D313-R315 WeakPolarHBondContact OD1-CB 3.38Å; D313-R315 VanDerWaalsContact OD1-CG 3.26Å; D313-R315 WeakPolarHBondContact OD1-CG 3.21Å; D313-R315 PolarHBondContact OD1-N 3.16Å; R315-V317 VanDerWaalsContact C-N 3.26Å; R315-V317 PolarHBondContact O-N 3.08Å |
| 316 | A | 71.1 | Confident | 66.5 | Low | 38 Ų | 38 | 119.9 Ų | 119.9 | 31% | 0.314 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -65.3 | -33 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F309 D313 T314 | F309-A316 HydrophobicContact CB-CB 4.01Å; F309-A316 HydrophobicContact CD1-CB 3.96Å; F309-A316 HydrophobicContact CD2-CB 3.8Å; F309-A316 HydrophobicContact CE1-CB 4.39Å; F309-A316 HydrophobicContact CE2-CB 4.26Å; F309-A316 HydrophobicContact CG-CB 3.64Å; D313-A316 VanDerWaalsContact O-CB 3.3Å; D313-A316 WeakPolarHBondContact O-CB 3.22Å; D313-A316 PolarHBondContact O-N 3.21Å; T314-A316 PolarHBondContact O-N 3.35Å |
| 317 | V | 70.3 | Confident | 66.2 | Low | 129 Ų | 129 | 121 Ų | 121 | 78% | 0.782 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -13.7 | -174.3 | -169.3 | 0 | 0 | 0 | 0 | 112.5 | T314 R315 G319 | T314-V317 PolarHBondContact O-N 3.32Å; R315-V317 VanDerWaalsContact C-N 3.26Å; R315-V317 PolarHBondContact O-N 3.08Å; V317-G319 PolarHBondContact O-N 2.87Å |
| 318 | A | 68.1 | Low | 66 | Low | 58 Ų | 58 | 123.4 Ų | 123.4 | 48% | 0.479 | 66% | 0.656 | S | S | . | * | trans | -59.2 | 98.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T314 | T314-A318 PolarHBondContact O-N 3.03Š| ||
| 319 | G | 69.2 | Low | 65.5 | Low | 63 Ų | 63 | 118.4 Ų | 118.4 | 65% | 0.649 | 63% | 0.634 | S | S | * | * | trans | -68.4 | 159.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V317 E321 | V317-G319 PolarHBondContact O-N 2.87Å; G319-E321 PolarHBondContact O-N 3.45Å | ||
| 320 | R | 65 | Low | 65.5 | Low | 213 Ų | 213 | 118.2 Ų | 118.2 | 80% | 0.804 | 64% | 0.642 | S | S | * | * | trans | -62.5 | 122.4 | 167.9 | -69.6 | -177 | -179.7 | -93.9 | 3.4 | 108 | R322 | R320-R322 PolarHBondContact O-N 2.84Š| ||
| 321 | E | 63.2 | Low | 65.2 | Low | 191 Ų | 191 | 124 Ų | 124 | 89% | 0.893 | 65% | 0.652 | S | S | * | * | trans | -56.7 | 111.9 | 170.5 | -71.4 | -169.1 | 164.3 | 0 | 0 | 108.4 | G319 P323 | G319-E321 PolarHBondContact O-N 3.45Å; E321-P323 WeakPolarHBondContact O-CD 3.33Å | ||
| 322 | R | 62.4 | Low | 65.4 | Low | 181 Ų | 181 | 130 Ų | 130 | 68% | 0.683 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 121.6 | 174 | -84.2 | 178.4 | 158.2 | -172.8 | -6.5 | 107.1 | R320 | R320-R322 PolarHBondContact O-N 2.84Š|
| 323 | P | 62.7 | Low | 66.1 | Low | 112 Ų | 112 | 122.3 Ų | 122.3 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 137 | 171.9 | 24.4 | -32.1 | 0 | 0 | 0 | 108.7 | E321 R325 | E321-P323 WeakPolarHBondContact O-CD 3.33Å; P323-R325 PolarHBondContact O-N 2.9Å |
| 324 | P | 59.9 | Low | 66.2 | Low | 86 Ų | 86 | 124 Ų | 124 | 56% | 0.558 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 132.2 | 176.9 | 24.4 | -32.2 | 0 | 0 | 0 | 108.7 | V326 | P324-V326 PolarHBondContact O-N 3.46Š|
| 325 | R | 58 | Low | 66.6 | Low | 194 Ų | 194 | 125.2 Ų | 125.2 | 73% | 0.732 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 124.8 | 174.2 | -68.7 | 179.8 | 174.4 | -171.6 | -3.2 | 107.5 | P323 A327 T328 | P323-R325 PolarHBondContact O-N 2.9Å; R325-A327 PolarHBondContact O-N 3.41Å; R325-T328 PolarHBondContact O-N 2.94Å; R325-T328 PolarHBondContact O-OG1 3.01Å |
| 326 | V | 59 | Low | 67.1 | Low | 121 Ų | 121 | 123 Ų | 123 | 73% | 0.733 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -52.4 | -31.7 | 178.2 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | P324 T328 | P324-V326 PolarHBondContact O-N 3.46Å; V326-T328 VanDerWaalsContact C-N 3.27Å; V326-T328 PolarHBondContact O-N 3.47Å |
| 327 | A | 57.1 | Low | 67.7 | Low | 102 Ų | 102 | 128.2 Ų | 128.2 | 84% | 0.843 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -68.4 | -12.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116 | R325 | R325-A327 PolarHBondContact O-N 3.41Š|
| 328 | T | 57 | Low | 68.5 | Low | 108 Ų | 108 | 126.6 Ų | 126.6 | 66% | 0.663 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -103.2 | -8.2 | -177.4 | 32.8 | 0 | 0 | 0 | 0 | 114.6 | R325 V326 | R325-T328 PolarHBondContact O-N 2.94Å; R325-T328 PolarHBondContact O-OG1 3.01Å; V326-T328 VanDerWaalsContact C-N 3.27Å; V326-T328 PolarHBondContact O-N 3.47Å |
| 329 | L | 55.4 | Low | 69.5 | Low | 59 Ų | 59 | 127.7 Ų | 127.7 | 31% | 0.309 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -86.2 | 120.4 | 177.2 | -63.3 | -179.4 | 0 | 0 | 0 | 108.9 | E333 | L329-E333 HydrophobicContact CD2-CG 4.22Š|
| 330 | S | 67.6 | Low | 70.4 | Confident | 69 Ų | 69 | 130.7 Ų | 130.7 | 48% | 0.483 | 61% | 0.607 | S | S | . | * | trans | -61.6 | 147 | 169.6 | 85.2 | 0 | 0 | 0 | 0 | 108.7 | R332 E333 E334 | S330-R332 PolarHBondContact O-N 2.96Å; S330-R332 PolarHBondContact OG-N 3.13Å; S330-E333 PolarHBondContact O-N 3.25Å; S330-E334 PolarHBondContact O-N 2.79Å | ||
| 331 | W | 65.8 | Low | 71.6 | Confident | 209 Ų | 209 | 124.2 Ų | 124.2 | 79% | 0.792 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -42.7 | -33.7 | 173.1 | 177.9 | -96.2 | 0 | 0 | 0 | 113.7 | R335 | W331-R335 WeakPolarHBondContact O-CB 3.41Å; W331-R335 PolarHBondContact O-N 3.44Å; W331-R335 VanDerWaalsContact O-N 3.13Å |
| 332 | R | 74.1 | Confident | 72.9 | Confident | 212 Ų | 212 | 120.2 Ų | 120.2 | 80% | 0.8 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.8 | -35.7 | 178.2 | -127.4 | 179.8 | -165.2 | 178.7 | 3.3 | 113.4 | S330 R336 | S330-R332 PolarHBondContact O-N 2.96Å; S330-R332 PolarHBondContact OG-N 3.13Å; R332-R336 PolarHBondContact O-N 3.18Å |
| 333 | E | 77 | Confident | 74.3 | Confident | 87 Ų | 87 | 114.1 Ų | 114.1 | 41% | 0.407 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -82.8 | -35.6 | -176.4 | -164.8 | 136.6 | -137.9 | 0 | 0 | 111.8 | L329 S330 R336 R337 | L329-E333 HydrophobicContact CD2-CG 4.22Å; S330-E333 PolarHBondContact O-N 3.25Å; E333-R336 PolarHBondContact O-N 2.99Å; E333-R336 IonicContact OE1-CZ 3.9Å; E333-R336 IonicContact OE1-NH2 2.89Å; E333-R336 PolarHBondContact OE1-NH2 3.02Å; E333-R337 WeakPolarHBondContact O-CB 3.34Å; E333-R337 PolarHBondContact O-N 3.41Å |
| 334 | E | 78.2 | Confident | 75.6 | Confident | 80 Ų | 80 | 116.5 Ų | 116.5 | 37% | 0.374 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.3 | -49 | 168.8 | -172.1 | 166.3 | -136.4 | 0 | 0 | 110.8 | S330 R336 R337 E338 | S330-E334 PolarHBondContact O-N 2.79Å; E334-R336 VanDerWaalsContact C-N 3.31Å; E334-R336 PolarHBondContact O-N 2.73Å; E334-R337 WeakPolarHBondContact O-CA 3.4Å; E334-R337 WeakPolarHBondContact O-CB 3.33Å; E334-R337 PolarHBondContact O-N 3.24Å; E334-E338 PolarHBondContact O-N 3.39Å |
| 335 | R | 83.8 | Confident | 77 | Confident | 141 Ų | 141 | 116.1 Ų | 116.1 | 53% | 0.532 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 175.9 | -155.2 | -174 | 93.7 | -178.3 | 4.3 | 112.8 | W331 R337 E338 E339 | W331-R335 WeakPolarHBondContact O-CB 3.41Å; W331-R335 PolarHBondContact O-N 3.44Å; W331-R335 VanDerWaalsContact O-N 3.13Å; R335-R337 VanDerWaalsContact C-N 3.3Å; R335-R337 PolarHBondContact O-N 2.9Å; R335-E338 PolarHBondContact O-N 3.29Å; R335-E339 IonicContact CZ-OE1 3.56Å; R335-E339 IonicContact NE-OE1 3.78Å; R335-E339 PolarHBondContact NE-OE1 2.95Å; R335-E339 IonicContact NH2-OE1 2.79Å; R335-E339 PolarHBondContact NH2-OE1 3.37Å; R335-E339 WeakPolarHBondContact O-CB 3.42Å; R335-E339 VanDerWaalsContact O-CG 3.28Å; R335-E339 WeakPolarHBondContact O-CG 3.5Å; R335-E339 PolarHBondContact O-N 2.79Å |
| 336 | R | 84.9 | Confident | 78.4 | Confident | 129 Ų | 129 | 114.4 Ų | 114.4 | 49% | 0.487 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65 | -35.4 | 176.3 | -169.2 | 179.6 | 70.5 | 153.5 | -5.7 | 111.7 | R332 E333 E334 K340 | R332-R336 PolarHBondContact O-N 3.18Å; E333-R336 PolarHBondContact O-N 2.99Å; E333-R336 IonicContact OE1-CZ 3.9Å; E333-R336 IonicContact OE1-NH2 2.89Å; E333-R336 PolarHBondContact OE1-NH2 3.02Å; E334-R336 VanDerWaalsContact C-N 3.31Å; E334-R336 PolarHBondContact O-N 2.73Å; R336-K340 WeakPolarHBondContact O-CG 3.5Å; R336-K340 PolarHBondContact O-N 3.41Å; R336-K340 VanDerWaalsContact O-N 3.13Å |
| 337 | R | 82.2 | Confident | 79.7 | Confident | 149 Ų | 149 | 114 Ų | 114 | 56% | 0.562 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.4 | -45.7 | 177.2 | -164.5 | 172.8 | -174.1 | -88.4 | 0.3 | 110.9 | E333 E334 R335 E339 K340 D341 | E333-R337 WeakPolarHBondContact O-CB 3.34Å; E333-R337 PolarHBondContact O-N 3.41Å; E334-R337 WeakPolarHBondContact O-CA 3.4Å; E334-R337 WeakPolarHBondContact O-CB 3.33Å; E334-R337 PolarHBondContact O-N 3.24Å; R335-R337 VanDerWaalsContact C-N 3.3Å; R335-R337 PolarHBondContact O-N 2.9Å; R337-E339 VanDerWaalsContact C-N 3.34Å; R337-E339 PolarHBondContact O-N 2.99Å; R337-K340 WeakPolarHBondContact O-CB 3.49Å; R337-K340 PolarHBondContact O-N 3.04Å; R337-K340 VanDerWaalsContact O-N 3.17Å; R337-D341 IonicContact NH1-OD2 3.32Å; R337-D341 VanDerWaalsContact O-CG 3.29Å; R337-D341 PolarHBondContact O-N 2.66Å |
| 338 | E | 87.2 | Confident | 81.1 | Confident | 95 Ų | 95 | 112.7 Ų | 112.7 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 174.3 | -69.6 | 179.5 | 177.9 | 0 | 0 | 113.3 | E334 R335 D341 R342 | E334-E338 PolarHBondContact O-N 3.39Å; R335-E338 PolarHBondContact O-N 3.29Å; E338-D341 PolarHBondContact O-N 3.3Å; E338-R342 WeakPolarHBondContact O-CB 3.49Å; E338-R342 PolarHBondContact O-N 3.3Å; E338-R342 IonicContact OE2-NH2 3.67Å |
| 339 | E | 89 | Confident | 82.4 | Confident | 81 Ų | 81 | 113.2 Ų | 113.2 | 38% | 0.379 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 175 | -76.5 | 168.5 | -166.9 | 0 | 0 | 111.2 | R335 R337 A343 | R335-E339 IonicContact CZ-OE1 3.56Å; R335-E339 IonicContact NE-OE1 3.78Å; R335-E339 PolarHBondContact NE-OE1 2.95Å; R335-E339 IonicContact NH2-OE1 2.79Å; R335-E339 PolarHBondContact NH2-OE1 3.37Å; R335-E339 WeakPolarHBondContact O-CB 3.42Å; R335-E339 VanDerWaalsContact O-CG 3.28Å; R335-E339 WeakPolarHBondContact O-CG 3.5Å; R335-E339 PolarHBondContact O-N 2.79Å; R337-E339 VanDerWaalsContact C-N 3.34Å; R337-E339 PolarHBondContact O-N 2.99Å; E339-A343 VanDerWaalsContact O-CB 3.31Å; E339-A343 WeakPolarHBondContact O-CB 2.96Å; E339-A343 PolarHBondContact O-N 2.91Å |
| 340 | K | 89.8 | Confident | 83.8 | Confident | 125 Ų | 125 | 114 Ų | 114 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 173.4 | -76.8 | 179.9 | 177.2 | -170.6 | 0 | 112.2 | R336 R337 A343 W344 | R336-K340 WeakPolarHBondContact O-CG 3.5Å; R336-K340 PolarHBondContact O-N 3.41Å; R336-K340 VanDerWaalsContact O-N 3.13Å; R337-K340 WeakPolarHBondContact O-CB 3.49Å; R337-K340 PolarHBondContact O-N 3.04Å; R337-K340 VanDerWaalsContact O-N 3.17Å; K340-A343 PolarHBondContact O-N 3.04Å; K340-W344 WeakPolarHBondContact O-CB 3.08Å; K340-W344 PolarHBondContact O-N 3.44Å |
| 341 | D | 90.1 | Very high | 84.4 | Confident | 78 Ų | 78 | 119.6 Ų | 119.6 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 178.9 | -67.3 | -12.9 | 0 | 0 | 0 | 110.2 | R337 E338 A343 W344 E345 | R337-D341 IonicContact NH1-OD2 3.32Å; R337-D341 VanDerWaalsContact O-CG 3.29Å; R337-D341 PolarHBondContact O-N 2.66Å; E338-D341 PolarHBondContact O-N 3.3Å; D341-A343 PolarHBondContact O-N 3.23Å; D341-W344 PolarHBondContact O-N 3.45Å; D341-E345 WeakPolarHBondContact O-CB 3.15Å; D341-E345 PolarHBondContact O-N 3.49Å |
| 342 | R | 90.7 | Very high | 85.2 | Confident | 106 Ų | 106 | 115 Ų | 115 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 172.2 | -89.2 | -178.1 | -88.7 | 126.7 | -4.5 | 113.4 | E338 R346 | E338-R342 WeakPolarHBondContact O-CB 3.49Å; E338-R342 PolarHBondContact O-N 3.3Å; E338-R342 IonicContact OE2-NH2 3.67Å; R342-R346 WeakPolarHBondContact O-CG 3.37Å; R342-R346 PolarHBondContact O-N 3.05Å; R342-R346 VanDerWaalsContact O-N 3.08Å |
| 343 | A | 91.4 | Very high | 85.1 | Confident | 54 Ų | 54 | 111.5 Ų | 111.5 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E339 K340 D341 R346 D347 | E339-A343 VanDerWaalsContact O-CB 3.31Å; E339-A343 WeakPolarHBondContact O-CB 2.96Å; E339-A343 PolarHBondContact O-N 2.91Å; K340-A343 PolarHBondContact O-N 3.04Å; D341-A343 PolarHBondContact O-N 3.23Å; A343-R346 PolarHBondContact O-N 3.47Å; A343-D347 WeakPolarHBondContact O-CB 3.43Å; A343-D347 PolarHBondContact O-N 3.21Å |
| 344 | W | 89.8 | Confident | 84.6 | Confident | 162 Ų | 162 | 113.2 Ų | 113.2 | 61% | 0.614 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 175 | 179.2 | 77.1 | 0 | 0 | 0 | 112 | K340 D341 R346 D347 L348 | K340-W344 WeakPolarHBondContact O-CB 3.08Å; K340-W344 PolarHBondContact O-N 3.44Å; D341-W344 PolarHBondContact O-N 3.45Å; W344-R346 VanDerWaalsContact C-N 3.35Å; W344-R346 PolarHBondContact O-N 3.37Å; W344-D347 PolarHBondContact O-N 2.62Å; W344-L348 HydrophobicContact CH2-CD1 4.35Å; W344-L348 HydrophobicContact CH2-CD2 4.18Å; W344-L348 HydrophobicContact CZ2-CD1 3.95Å; W344-L348 HydrophobicContact CZ3-CD2 4.47Å; W344-L348 VanDerWaalsContact O-CB 3.27Å; W344-L348 WeakPolarHBondContact O-CB 3.34Å; W344-L348 PolarHBondContact O-N 3.34Å |
| 345 | E | 89.6 | Confident | 83.3 | Confident | 78 Ų | 78 | 116.6 Ų | 116.6 | 36% | 0.364 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 177 | -164.3 | -167.6 | 161.8 | 0 | 0 | 112.2 | D341 R349 | D341-E345 WeakPolarHBondContact O-CB 3.15Å; D341-E345 PolarHBondContact O-N 3.49Å; E345-R349 WeakPolarHBondContact O-CG 3.25Å; E345-R349 PolarHBondContact O-N 3.47Å; E345-R349 IonicContact OE1-CZ 3.57Å; E345-R349 IonicContact OE1-NH1 3.59Å; E345-R349 PolarHBondContact OE1-NH1 3.38Å; E345-R349 IonicContact OE1-NH2 3.61Å; E345-R349 PolarHBondContact OE1-NH2 3.13Å; E345-R349 IonicContact OE2-NH1 2.76Å |
| 346 | R | 86.1 | Confident | 81.7 | Confident | 157 Ų | 157 | 123.1 Ų | 123.1 | 59% | 0.592 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.4 | -52.2 | 170.7 | -78.6 | -172.6 | -175.6 | 98.6 | -3.3 | 111 | R342 A343 W344 L348 R349 T350 | R342-R346 WeakPolarHBondContact O-CG 3.37Å; R342-R346 PolarHBondContact O-N 3.05Å; R342-R346 VanDerWaalsContact O-N 3.08Å; A343-R346 PolarHBondContact O-N 3.47Å; W344-R346 VanDerWaalsContact C-N 3.35Å; W344-R346 PolarHBondContact O-N 3.37Å; R346-L348 VanDerWaalsContact C-N 3.27Å; R346-L348 PolarHBondContact O-N 3.39Å; R346-R349 WeakPolarHBondContact O-CB 3.41Å; R346-R349 PolarHBondContact O-N 3.13Å; R346-T350 PolarHBondContact O-N 3.41Å; R346-T350 PolarHBondContact O-OG1 2.94Å |
| 347 | D | 87.9 | Confident | 81.5 | Confident | 112 Ų | 112 | 122.8 Ų | 122.8 | 60% | 0.599 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.1 | -40 | -179.3 | -161.4 | 40.6 | 0 | 0 | 0 | 111.6 | A343 W344 T350 Y351 | A343-D347 WeakPolarHBondContact O-CB 3.43Å; A343-D347 PolarHBondContact O-N 3.21Å; W344-D347 PolarHBondContact O-N 2.62Å; D347-T350 PolarHBondContact O-N 3.44Å; D347-Y351 VanDerWaalsContact O-CB 3.25Å; D347-Y351 WeakPolarHBondContact O-CB 3.45Å; D347-Y351 PolarHBondContact O-N 3.07Å |
| 348 | L | 85.8 | Confident | 81.5 | Confident | 76 Ų | 76 | 121.4 Ų | 121.4 | 40% | 0.398 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.8 | -44.2 | 173.6 | -166.1 | 89.1 | 0 | 0 | 0 | 111.8 | W344 R346 Y351 M352 | W344-L348 HydrophobicContact CH2-CD1 4.35Å; W344-L348 HydrophobicContact CH2-CD2 4.18Å; W344-L348 HydrophobicContact CZ2-CD1 3.95Å; W344-L348 HydrophobicContact CZ3-CD2 4.47Å; W344-L348 VanDerWaalsContact O-CB 3.27Å; W344-L348 WeakPolarHBondContact O-CB 3.34Å; W344-L348 PolarHBondContact O-N 3.34Å; R346-L348 VanDerWaalsContact C-N 3.27Å; R346-L348 PolarHBondContact O-N 3.39Å; L348-Y351 PolarHBondContact O-N 3.22Å; L348-M352 WeakPolarHBondContact O-CB 3.13Å; L348-M352 WeakPolarHBondContact O-CG 3.21Å; L348-M352 PolarHBondContact O-N 3.08Å |
| 349 | R | 84.7 | Confident | 81.2 | Confident | 118 Ų | 118 | 122.9 Ų | 122.9 | 45% | 0.445 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.9 | -42.6 | 176.2 | -79.4 | -173.1 | 179.8 | 99.3 | 4.4 | 111.9 | E345 R346 M352 N353 L354 | E345-R349 WeakPolarHBondContact O-CG 3.25Å; E345-R349 PolarHBondContact O-N 3.47Å; E345-R349 IonicContact OE1-CZ 3.57Å; E345-R349 IonicContact OE1-NH1 3.59Å; E345-R349 PolarHBondContact OE1-NH1 3.38Å; E345-R349 IonicContact OE1-NH2 3.61Å; E345-R349 PolarHBondContact OE1-NH2 3.13Å; E345-R349 IonicContact OE2-NH1 2.76Å; R346-R349 WeakPolarHBondContact O-CB 3.41Å; R346-R349 PolarHBondContact O-N 3.13Å; R349-M352 PolarHBondContact O-N 2.8Å; R349-N353 PolarHBondContact O-N 3.42Å; R349-L354 PolarHBondContact O-N 3.39Å; R349-L354 VanDerWaalsContact O-N 3.16Å |
| 350 | T | 84.3 | Confident | 80.7 | Confident | 75 Ų | 75 | 125.4 Ų | 125.4 | 46% | 0.46 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.3 | -44.2 | 177.5 | -42.3 | 0 | 0 | 0 | 0 | 110.8 | R346 D347 M352 N353 | R346-T350 PolarHBondContact O-N 3.41Å; R346-T350 PolarHBondContact O-OG1 2.94Å; D347-T350 PolarHBondContact O-N 3.44Å; T350-M352 VanDerWaalsContact C-N 3.34Å; T350-M352 PolarHBondContact O-N 3Å; T350-N353 PolarHBondContact O-N 3.2Å |
| 351 | Y | 80.3 | Confident | 80.1 | Confident | 187 Ų | 187 | 125.4 Ų | 125.4 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62 | -39.3 | 176.5 | -179.8 | -100.1 | 0 | 0 | 0 | 112.8 | D347 L348 N353 | D347-Y351 VanDerWaalsContact O-CB 3.25Å; D347-Y351 WeakPolarHBondContact O-CB 3.45Å; D347-Y351 PolarHBondContact O-N 3.07Å; L348-Y351 PolarHBondContact O-N 3.22Å; Y351-N353 VanDerWaalsContact C-N 3.29Å; Y351-N353 PolarHBondContact O-N 3.43Å |
| 352 | M | 82 | Confident | 79.5 | Confident | 112 Ų | 112 | 128.5 Ų | 128.5 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 4.5 | -179 | -62.3 | -65 | -78.8 | 0 | 0 | 113.6 | L348 R349 T350 L354 | L348-M352 WeakPolarHBondContact O-CB 3.13Å; L348-M352 WeakPolarHBondContact O-CG 3.21Å; L348-M352 PolarHBondContact O-N 3.08Å; R349-M352 PolarHBondContact O-N 2.8Å; T350-M352 VanDerWaalsContact C-N 3.34Å; T350-M352 PolarHBondContact O-N 3Å; M352-L354 HydrophobicContact CB-CD1 3.87Å; M352-L354 HydrophobicContact CB-CG 4Å; M352-L354 PolarHBondContact O-N 3.48Å |
| 353 | N | 72.5 | Confident | 78.7 | Confident | 140 Ų | 140 | 130.1 Ų | 130.1 | 75% | 0.749 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 48.8 | 40.4 | -176.9 | -70.5 | -41.3 | 0 | 0 | 0 | 113.4 | R349 T350 Y351 E355 | R349-N353 PolarHBondContact O-N 3.42Å; T350-N353 PolarHBondContact O-N 3.2Å; Y351-N353 VanDerWaalsContact C-N 3.29Å; Y351-N353 PolarHBondContact O-N 3.43Å; N353-E355 PolarHBondContact O-N 3.12Å |
| 354 | L | 65.6 | Low | 77.7 | Confident | 123 Ų | 123 | 136 Ų | 136 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | trans | -87 | 18.6 | -179.5 | -73.3 | 168 | 0 | 0 | 0 | 113.3 | R349 M352 F356 | R349-L354 PolarHBondContact O-N 3.39Å; R349-L354 VanDerWaalsContact O-N 3.16Å; M352-L354 HydrophobicContact CB-CD1 3.87Å; M352-L354 HydrophobicContact CB-CG 4Å; M352-L354 PolarHBondContact O-N 3.48Å; L354-F356 PolarHBondContact O-N 3.2Å | ||
| 355 | E | 51.9 | Low | 76.7 | Confident | 150 Ų | 150 | 133.8 Ų | 133.8 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | trans | -88.4 | 90.8 | 176.1 | -72.3 | -174.7 | 165.2 | 0 | 0 | 110.7 | N353 | N353-E355 PolarHBondContact O-N 3.12Š| ||
| 356 | F | 49.9 | Very low | 75.5 | Confident | 278 Ų | 278 | 138.9 Ų | 138.9 | 100% | 1.219 | 65% | 0.645 | S | S | * | * | trans | -123.8 | 0 | 151.9 | -84.6 | -75.7 | 0 | 0 | 0 | 109.3 | L354 | L354-F356 PolarHBondContact O-N 3.2Š|
Retrieved 356 of 356 residues in 597.5 ms
(Link to these results)