| 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 | 36.7 | Very low | 33.8 | Very low | 239 Ų | 239 | 148.1 Ų | 148.1 | 100% | 1.177 | 78% | 0.782 | S | S | * | * | 0 | 102.7 | 0 | -68.6 | 176.3 | 79 | 0 | 0 | 107.8 | |||||
| 2 | S | 37.9 | Very low | 34.9 | Very low | 98 Ų | 98 | 150.2 Ų | 150.2 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | cis | -155.1 | 134.8 | -16 | -84.2 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 3 | E | 34 | Very low | 34.5 | Very low | 179 Ų | 179 | 153.4 Ų | 153.4 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 59.4 | 103.1 | 143.2 | -60.9 | 165.1 | 152.2 | 0 | 0 | 117.2 | ||||
| 4 | Q | 32.6 | Very low | 34.1 | Very low | 182 Ų | 182 | 147.4 Ų | 147.4 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | 43.6 | 115.6 | 68.3 | -89.3 | 179.9 | -11.2 | 0 | 0 | 115.7 | |||||
| 5 | S | 35.8 | Very low | 35 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | 171.1 | 104.2 | 127.8 | 35.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 6 | E | 32.4 | Very low | 34.8 | Very low | 142 Ų | 142 | 146.7 Ų | 146.7 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | 60.8 | 123.2 | 75.8 | -76.3 | -154.6 | 141.3 | 0 | 0 | 115.9 | |||||
| 7 | K | 32.7 | Very low | 35.5 | Very low | 155 Ų | 155 | 146 Ų | 146 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | trans | 74.8 | 152.2 | 139.2 | -70.7 | 170.9 | -178.5 | 147.9 | 0 | 116.6 | ||||
| 8 | N | 27.3 | Very low | 35.7 | Very low | 125 Ų | 125 | 146.2 Ų | 146.2 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | cis | 179 | 154.5 | -21.4 | -112.6 | -21.6 | 0 | 0 | 0 | 103.3 | ||||
| 9 | N | 27.5 | Very low | 36.9 | Very low | 140 Ų | 140 | 144.3 Ų | 144.3 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | trans | 66.7 | 116.3 | 149.3 | -67.6 | -27.7 | 0 | 0 | 0 | 118 | ||||
| 10 | S | 42 | Very low | 36.9 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | 85.7 | 137.5 | 86.3 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 11 | I | 32.9 | Very low | 37.1 | Very low | 150 Ų | 150 | 144 Ų | 144 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | 139.4 | 88.8 | 165.2 | -73.9 | 153 | 0 | 0 | 0 | 105.2 | ||||
| 12 | Q | 46.5 | Very low | 37.7 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | 50.4 | 121 | 94.3 | -71 | -164 | -3.3 | 0 | 0 | 112.7 | |||||
| 13 | E | 30.4 | Very low | 38.2 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | 167.8 | 150.1 | 121.6 | -91.5 | 177.3 | -177 | 0 | 0 | 111.3 | |||||
| 14 | G | 29 | Very low | 38.9 | Very low | 69 Ų | 69 | 143.7 Ų | 143.7 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 110.1 | 76.1 | 148 | 0 | 0 | 0 | 0 | 0 | 116.2 | T16 | G14-T16 PolarHBondContact O-N 3.43Š| ||
| 15 | H | 48 | Very low | 39.9 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | trans | -56.9 | 121.8 | 148.8 | -140 | -80 | 0 | 0 | 0 | 108.4 | D17 | H15-D17 IonicContact CE1-OD2 3.37Å; H15-D17 PolarHBondContact CE1-OD2 3.37Å; H15-D17 IonicContact ND1-OD2 3.09Å | ||
| 16 | T | 31.3 | Very low | 40.7 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | trans | -145.4 | 98.1 | 154.6 | -46.8 | 0 | 0 | 0 | 0 | 108.4 | G14 H18 | G14-T16 PolarHBondContact O-N 3.43Å; T16-H18 PolarHBondContact O-N 3.21Å | ||
| 17 | D | 46.1 | Very low | 41.8 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | trans | -57 | 116.1 | 158.3 | -74.6 | -60.9 | 0 | 0 | 0 | 108.1 | H15 | H15-D17 IonicContact CE1-OD2 3.37Å; H15-D17 PolarHBondContact CE1-OD2 3.37Å; H15-D17 IonicContact ND1-OD2 3.09Å | ||
| 18 | H | 40.3 | Very low | 43.5 | Very low | 149 Ų | 149 | 133 Ų | 133 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | trans | -135.7 | 108.4 | 159.2 | -118.4 | -65.6 | 0 | 0 | 0 | 109.4 | T16 F20 | T16-H18 PolarHBondContact O-N 3.21Å; H18-F20 WeakPolarHBondContact O-CD2 3.49Å; H18-F20 PolarHBondContact O-N 3.42Å | ||
| 19 | S | 57.2 | Low | 45.8 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | trans | -46.8 | 125.2 | 169.5 | 43.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 20 | F | 37.9 | Very low | 48.3 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 80% | 0.798 | 70% | 0.701 | S | S | * | * | trans | -119.1 | 136.3 | 163.9 | -84.9 | -85.4 | 0 | 0 | 0 | 110.1 | H18 | H18-F20 WeakPolarHBondContact O-CD2 3.49Å; H18-F20 PolarHBondContact O-N 3.42Å | ||
| 21 | P | 41.4 | Very low | 50.3 | Low | 102 Ų | 102 | 133.4 Ų | 133.4 | 66% | 0.662 | 69% | 0.692 | S | S | * | * | trans | -72.5 | 145.1 | -167.1 | 29.8 | -33.6 | 0 | 0 | 0 | 111.4 | K23 | P21-K23 PolarHBondContact O-N 2.73Š| ||
| 22 | E | 48.4 | Very low | 52.9 | Low | 197 Ų | 197 | 131.3 Ų | 131.3 | 92% | 0.921 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -64.1 | 46.8 | -175.7 | -60.2 | 174.2 | 129.9 | 0 | 0 | 115 | ||
| 23 | K | 47.9 | Very low | 54.9 | Low | 183 Ų | 183 | 129.1 Ų | 129.1 | 80% | 0.796 | 67% | 0.672 | S | S | * | * | trans | -111.7 | 18.3 | -178.2 | -71.5 | -170.2 | 178.3 | -179.9 | 0 | 114.5 | P21 | P21-K23 PolarHBondContact O-N 2.73Š| ||
| 24 | N | 48.7 | Very low | 57.8 | Low | 128 Ų | 128 | 125.6 Ų | 125.6 | 68% | 0.684 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -110.3 | -4.5 | 177.3 | -107 | -54.2 | 0 | 0 | 0 | 115 | G28 | N24-G28 PolarHBondContact O-N 3.49Š|
| 25 | C | 53.4 | Low | 60.7 | Low | 86 Ų | 86 | 126.3 Ų | 126.3 | 58% | 0.581 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.9 | -35.4 | -169.7 | -147.4 | 0 | 0 | 0 | 0 | 113.2 | Q29 | C25-Q29 WeakPolarHBondContact O-CB 3.38Å; C25-Q29 WeakPolarHBondContact O-CG 3.49Å; C25-Q29 PolarHBondContact O-N 3.33Å; C25-Q29 VanDerWaalsContact O-N 3.12Å |
| 26 | Q | 53.8 | Low | 62.8 | Low | 154 Ų | 154 | 124.4 Ų | 124.4 | 72% | 0.72 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -79.5 | -31.1 | -174.9 | -68.4 | 169.6 | 7.5 | 0 | 0 | 113.7 | K30 | Q26-K30 WeakPolarHBondContact O-CG 3.13Å; Q26-K30 PolarHBondContact O-N 3.12Å |
| 27 | I | 55.3 | Low | 65.5 | Low | 106 Ų | 106 | 128 Ų | 128 | 54% | 0.544 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -76 | -42.7 | 178.3 | -62.7 | 162.3 | 0 | 0 | 0 | 109.6 | Q29 K30 Q31 | I27-Q29 PolarHBondContact O-N 3.34Å; I27-K30 PolarHBondContact O-N 3.48Å; I27-Q31 PolarHBondContact O-N 2.97Å |
| 28 | G | 68.9 | Low | 67.5 | Low | 26 Ų | 26 | 126.7 Ų | 126.7 | 27% | 0.268 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -62.4 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N24 Q31 L32 | N24-G28 PolarHBondContact O-N 3.49Å; G28-Q31 PolarHBondContact O-N 3.42Å; G28-L32 VanDerWaalsContact O-CB 3.31Å; G28-L32 WeakPolarHBondContact O-CB 3.31Å; G28-L32 VanDerWaalsContact O-CG 3.28Å; G28-L32 WeakPolarHBondContact O-CG 3.38Å; G28-L32 PolarHBondContact O-N 2.83Å |
| 29 | Q | 75.9 | Confident | 69.7 | Low | 105 Ų | 105 | 124.8 Ų | 124.8 | 49% | 0.491 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.3 | -42.9 | 176.6 | -78.9 | 172.7 | -5.7 | 0 | 0 | 113 | C25 I27 L32 Q33 | C25-Q29 WeakPolarHBondContact O-CB 3.38Å; C25-Q29 WeakPolarHBondContact O-CG 3.49Å; C25-Q29 PolarHBondContact O-N 3.33Å; C25-Q29 VanDerWaalsContact O-N 3.12Å; I27-Q29 PolarHBondContact O-N 3.34Å; Q29-L32 PolarHBondContact O-N 3Å; Q29-Q33 VanDerWaalsContact O-CG 3.32Å; Q29-Q33 WeakPolarHBondContact O-CG 3.43Å; Q29-Q33 PolarHBondContact O-N 3.39Å |
| 30 | K | 78.1 | Confident | 71 | Confident | 156 Ų | 156 | 127.1 Ų | 127.1 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68 | -39.8 | 176.8 | -72.5 | -178.3 | -179.6 | -178.9 | 0 | 112 | Q26 I27 Q33 Q34 | Q26-K30 WeakPolarHBondContact O-CG 3.13Å; Q26-K30 PolarHBondContact O-N 3.12Å; I27-K30 PolarHBondContact O-N 3.48Å; K30-Q33 PolarHBondContact O-N 3.39Å; K30-Q34 WeakPolarHBondContact O-CB 3.32Å; K30-Q34 PolarHBondContact O-N 3.38Å |
| 31 | Q | 84.7 | Confident | 73 | Confident | 115 Ų | 115 | 123.5 Ų | 123.5 | 54% | 0.537 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.1 | -43.8 | 173.3 | -97.5 | 179 | -7.9 | 0 | 0 | 111.8 | I27 G28 Q34 I35 | I27-Q31 PolarHBondContact O-N 2.97Å; G28-Q31 PolarHBondContact O-N 3.42Å; Q31-Q34 WeakPolarHBondContact O-CB 3.34Å; Q31-Q34 PolarHBondContact O-N 3.01Å; Q31-I35 WeakPolarHBondContact O-CB 3.36Å; Q31-I35 VanDerWaalsContact O-CG1 3.23Å; Q31-I35 WeakPolarHBondContact O-CG1 3.28Å; Q31-I35 PolarHBondContact O-N 3.26Å |
| 32 | L | 87.9 | Confident | 74.9 | Confident | 106 Ų | 106 | 125.5 Ų | 125.5 | 56% | 0.555 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.3 | -45.3 | 176.8 | -80.2 | 164.6 | 0 | 0 | 0 | 111.6 | G28 Q29 Q34 I35 E36 | G28-L32 VanDerWaalsContact O-CB 3.31Å; G28-L32 WeakPolarHBondContact O-CB 3.31Å; G28-L32 VanDerWaalsContact O-CG 3.28Å; G28-L32 WeakPolarHBondContact O-CG 3.38Å; G28-L32 PolarHBondContact O-N 2.83Å; Q29-L32 PolarHBondContact O-N 3Å; L32-Q34 VanDerWaalsContact C-N 3.3Å; L32-Q34 PolarHBondContact O-N 3.35Å; L32-I35 PolarHBondContact O-N 2.86Å; L32-E36 WeakPolarHBondContact O-CB 3.49Å; L32-E36 WeakPolarHBondContact O-CG 3.23Å; L32-E36 PolarHBondContact O-N 2.96Å |
| 33 | Q | 88.3 | Confident | 76.5 | Confident | 127 Ų | 127 | 118.7 Ų | 118.7 | 59% | 0.593 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.1 | -37.7 | 174.9 | -73.7 | 173.9 | 11.1 | 0 | 0 | 112.5 | Q29 K30 R37 | Q29-Q33 VanDerWaalsContact O-CG 3.32Å; Q29-Q33 WeakPolarHBondContact O-CG 3.43Å; Q29-Q33 PolarHBondContact O-N 3.39Å; K30-Q33 PolarHBondContact O-N 3.39Å; Q33-R37 WeakPolarHBondContact O-CB 3.29Å; Q33-R37 PolarHBondContact O-N 3.2Å |
| 34 | Q | 91.6 | Very high | 77.7 | Confident | 118 Ų | 118 | 118 Ų | 118 | 55% | 0.551 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.3 | -42.1 | 176.5 | -175.7 | 172.9 | -3.6 | 0 | 0 | 111.6 | K30 Q31 L32 R37 Q38 | K30-Q34 WeakPolarHBondContact O-CB 3.32Å; K30-Q34 PolarHBondContact O-N 3.38Å; Q31-Q34 WeakPolarHBondContact O-CB 3.34Å; Q31-Q34 PolarHBondContact O-N 3.01Å; L32-Q34 VanDerWaalsContact C-N 3.3Å; L32-Q34 PolarHBondContact O-N 3.35Å; Q34-R37 PolarHBondContact O-N 2.97Å; Q34-Q38 WeakPolarHBondContact O-CG 3.48Å; Q34-Q38 PolarHBondContact O-N 2.84Å |
| 35 | I | 90.3 | Very high | 78.8 | Confident | 83 Ų | 83 | 119.4 Ų | 119.4 | 43% | 0.426 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.4 | -46.6 | 176.6 | -69.6 | 164.3 | 0 | 0 | 0 | 110.3 | Q31 L32 R37 Q38 L39 | Q31-I35 WeakPolarHBondContact O-CB 3.36Å; Q31-I35 VanDerWaalsContact O-CG1 3.23Å; Q31-I35 WeakPolarHBondContact O-CG1 3.28Å; Q31-I35 PolarHBondContact O-N 3.26Å; L32-I35 PolarHBondContact O-N 2.86Å; I35-R37 VanDerWaalsContact C-N 3.29Å; I35-R37 PolarHBondContact O-N 3.49Å; I35-Q38 PolarHBondContact O-N 3.1Å; I35-Q38 VanDerWaalsContact O-N 3.14Å; I35-L39 HydrophobicContact CG2-CD1 3.79Å; I35-L39 HydrophobicContact CG2-CG 4.18Å; I35-L39 WeakPolarHBondContact O-CB 3.42Å; I35-L39 VanDerWaalsContact O-CG 3.28Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.11Å |
| 36 | E | 90.8 | Very high | 79.2 | Confident | 129 Ų | 129 | 120.7 Ų | 120.7 | 60% | 0.603 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -57.9 | -41.8 | 175.1 | -78.6 | -178.6 | 171.9 | 0 | 0 | 112 | L32 L39 K40 | L32-E36 WeakPolarHBondContact O-CB 3.49Å; L32-E36 WeakPolarHBondContact O-CG 3.23Å; L32-E36 PolarHBondContact O-N 2.96Å; E36-L39 PolarHBondContact O-N 3.4Å; E36-K40 VanDerWaalsContact O-CB 3.29Å; E36-K40 WeakPolarHBondContact O-CB 3.28Å; E36-K40 PolarHBondContact O-N 3.4Å |
| 37 | R | 88.3 | Confident | 79.6 | Confident | 192 Ų | 192 | 116.4 Ų | 116.4 | 73% | 0.725 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.4 | -41.7 | 176.4 | -173.1 | 173.4 | 173.5 | -120.3 | -1 | 111.7 | Q33 Q34 I35 K40 C41 | Q33-R37 WeakPolarHBondContact O-CB 3.29Å; Q33-R37 PolarHBondContact O-N 3.2Å; Q34-R37 PolarHBondContact O-N 2.97Å; I35-R37 VanDerWaalsContact C-N 3.29Å; I35-R37 PolarHBondContact O-N 3.49Å; R37-K40 PolarHBondContact O-N 2.8Å; R37-C41 PolarHBondContact O-N 3.43Å; R37-C41 VanDerWaalsContact O-N 3.11Å; R37-C41 PolarHBondContact O-SG 3.14Å |
| 38 | Q | 88.8 | Confident | 80 | Confident | 107 Ų | 107 | 112.9 Ų | 112.9 | 50% | 0.5 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66 | -44.9 | 175.6 | -74.9 | 179.1 | -30.9 | 0 | 0 | 111.7 | Q34 I35 K40 C41 L42 | Q34-Q38 WeakPolarHBondContact O-CG 3.48Å; Q34-Q38 PolarHBondContact O-N 2.84Å; I35-Q38 PolarHBondContact O-N 3.1Å; I35-Q38 VanDerWaalsContact O-N 3.14Å; Q38-K40 VanDerWaalsContact C-N 3.27Å; Q38-K40 PolarHBondContact O-N 3.34Å; Q38-C41 PolarHBondContact O-N 3.32Å; Q38-C41 VanDerWaalsContact O-N 3.1Å; Q38-L42 VanDerWaalsContact O-CG 3.32Å; Q38-L42 WeakPolarHBondContact O-CG 3.38Å; Q38-L42 PolarHBondContact O-N 2.81Å |
| 39 | L | 86.8 | Confident | 79.7 | Confident | 109 Ų | 109 | 116.1 Ų | 116.1 | 57% | 0.571 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -59.9 | -37.8 | 174.9 | -71 | 173 | 0 | 0 | 0 | 111.5 | I35 E36 C41 L42 A43 | I35-L39 HydrophobicContact CG2-CD1 3.79Å; I35-L39 HydrophobicContact CG2-CG 4.18Å; I35-L39 WeakPolarHBondContact O-CB 3.42Å; I35-L39 VanDerWaalsContact O-CG 3.28Å; I35-L39 WeakPolarHBondContact O-CG 3.46Å; I35-L39 PolarHBondContact O-N 3.11Å; E36-L39 PolarHBondContact O-N 3.4Å; L39-C41 VanDerWaalsContact C-N 3.35Å; L39-C41 PolarHBondContact O-N 2.79Å; L39-L42 CarbonylContact O-C 3.6Å; L39-L42 PolarHBondContact O-N 2.87Å; L39-A43 WeakPolarHBondContact O-CB 3.32Å; L39-A43 PolarHBondContact O-N 3.36Å |
| 40 | K | 85 | Confident | 78.7 | Confident | 159 Ų | 159 | 118.3 Ų | 118.3 | 69% | 0.691 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.2 | -30.9 | 175.5 | -168.7 | 172.1 | -174.1 | 173.7 | 0 | 113.4 | E36 R37 Q38 | E36-K40 VanDerWaalsContact O-CB 3.29Å; E36-K40 WeakPolarHBondContact O-CB 3.28Å; E36-K40 PolarHBondContact O-N 3.4Å; R37-K40 PolarHBondContact O-N 2.8Å; Q38-K40 VanDerWaalsContact C-N 3.27Å; Q38-K40 PolarHBondContact O-N 3.34Å |
| 41 | C | 78.8 | Confident | 77.7 | Confident | 106 Ų | 106 | 115.8 Ų | 115.8 | 72% | 0.716 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -79.2 | -29 | 174 | -68.4 | 0 | 0 | 0 | 0 | 112.9 | R37 Q38 L39 | R37-C41 PolarHBondContact O-N 3.43Å; R37-C41 VanDerWaalsContact O-N 3.11Å; R37-C41 PolarHBondContact O-SG 3.14Å; Q38-C41 PolarHBondContact O-N 3.32Å; Q38-C41 VanDerWaalsContact O-N 3.1Å; L39-C41 VanDerWaalsContact C-N 3.35Å; L39-C41 PolarHBondContact O-N 2.79Å |
| 42 | L | 81.1 | Confident | 76.4 | Confident | 143 Ų | 143 | 113.6 Ų | 113.6 | 75% | 0.749 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -83.3 | -19.7 | 174.5 | -67.2 | 169.7 | 0 | 0 | 0 | 112.4 | Q38 L39 F44 | Q38-L42 VanDerWaalsContact O-CG 3.32Å; Q38-L42 WeakPolarHBondContact O-CG 3.38Å; Q38-L42 PolarHBondContact O-N 2.81Å; L39-L42 CarbonylContact O-C 3.6Å; L39-L42 PolarHBondContact O-N 2.87Å; L42-F44 PolarHBondContact O-N 2.84Å; L42-F44 VanDerWaalsContact O-N 3.07Å |
| 43 | A | 81.7 | Confident | 75.1 | Confident | 55 Ų | 55 | 115.9 Ų | 115.9 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -58.7 | 116 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | L39 Q45 | L39-A43 WeakPolarHBondContact O-CB 3.32Å; L39-A43 PolarHBondContact O-N 3.36Å; A43-Q45 VanDerWaalsContact C-N 3.3Å; A43-Q45 PolarHBondContact O-N 2.91Å |
| 44 | F | 72.9 | Confident | 74.1 | Confident | 168 Ų | 168 | 116.1 Ų | 116.1 | 74% | 0.737 | 61% | 0.606 | S | S | * | * | trans | -58.5 | 99.2 | 167.6 | 178.9 | -109.4 | 0 | 0 | 0 | 107.4 | L42 N46 | L42-F44 PolarHBondContact O-N 2.84Å; L42-F44 VanDerWaalsContact O-N 3.07Å; F44-N46 HydrophobicContact CD1-CB 3.76Å; F44-N46 HydrophobicContact CE1-CB 3.42Å; F44-N46 VanDerWaalsContact CE1-CB 3.42Å; F44-N46 HydrophobicContact CZ-CB 4.32Å; F44-N46 PolarHBondContact O-N 3.07Å | ||
| 45 | Q | 72.4 | Confident | 73.4 | Confident | 157 Ų | 157 | 113.9 Ų | 113.9 | 73% | 0.734 | 60% | 0.598 | S | S | * | * | trans | -69 | 87.6 | 161.1 | -72 | -178.5 | 16.8 | 0 | 0 | 104.8 | A43 P47 | A43-Q45 VanDerWaalsContact C-N 3.3Å; A43-Q45 PolarHBondContact O-N 2.91Å; Q45-P47 WeakPolarHBondContact O-CD 3.17Å | ||
| 46 | N | 62.5 | Low | 73 | Confident | 113 Ų | 113 | 114 Ų | 114 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | trans | -50.3 | 113.7 | 162.2 | -174.4 | -12.9 | 0 | 0 | 0 | 103.9 | F44 G48 | F44-N46 HydrophobicContact CD1-CB 3.76Å; F44-N46 HydrophobicContact CE1-CB 3.42Å; F44-N46 VanDerWaalsContact CE1-CB 3.42Å; F44-N46 HydrophobicContact CZ-CB 4.32Å; F44-N46 PolarHBondContact O-N 3.07Å; N46-G48 PolarHBondContact O-N 2.71Å; N46-G48 PolarHBondContact OD1-N 2.85Å | ||
| 47 | P | 62.6 | Low | 72.8 | Confident | 64 Ų | 64 | 113.7 Ų | 113.7 | 42% | 0.416 | 60% | 0.602 | S | S | . | * | trans | -57.8 | -8 | -174.6 | 7.3 | -11.5 | 0 | 0 | 0 | 111.3 | Q45 Q50 | Q45-P47 WeakPolarHBondContact O-CD 3.17Å; P47-Q50 VanDerWaalsContact CA-NE2 3.27Å; P47-Q50 HydrophobicContact CB-CB 4.05Å; P47-Q50 HydrophobicContact CB-CG 3.85Å; P47-Q50 WeakPolarHBondContact O-CG 3.11Å; P47-Q50 PolarHBondContact O-NE2 2.73Å | ||
| 48 | G | 63.7 | Low | 72.7 | Confident | 32 Ų | 32 | 107.1 Ų | 107.1 | 33% | 0.33 | 58% | 0.584 | S | S | . | * | trans | 61.7 | -170.7 | -160 | 0 | 0 | 0 | 0 | 0 | 106.3 | N46 Q50 | N46-G48 PolarHBondContact O-N 2.71Å; N46-G48 PolarHBondContact OD1-N 2.85Å; G48-Q50 PolarHBondContact O-N 3.3Å | ||
| 49 | P | 60.9 | Low | 72.4 | Confident | 95 Ų | 95 | 110.2 Ų | 110.2 | 62% | 0.617 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -80.1 | 65.4 | -177.6 | 39.8 | -38.4 | 0 | 0 | 0 | 109 | V51 A52 | P49-V51 PolarHBondContact O-N 3.1Å; P49-A52 HydrophobicContact CB-CB 3.37Å; P49-A52 HydrophobicContact CG-CB 3.75Å; P49-A52 WeakPolarHBondContact O-CB 3.18Å; P49-A52 PolarHBondContact O-N 3.42Å |
| 50 | Q | 56.6 | Low | 72.4 | Confident | 150 Ų | 150 | 110.3 Ų | 110.3 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -6.3 | 161.6 | -73.2 | 173.8 | 35.3 | 0 | 0 | 111.5 | P47 G48 | P47-Q50 VanDerWaalsContact CA-NE2 3.27Å; P47-Q50 HydrophobicContact CB-CB 4.05Å; P47-Q50 HydrophobicContact CB-CG 3.85Å; P47-Q50 WeakPolarHBondContact O-CG 3.11Å; P47-Q50 PolarHBondContact O-NE2 2.73Å; G48-Q50 PolarHBondContact O-N 3.3Å |
| 51 | V | 56.5 | Low | 72.6 | Confident | 104 Ų | 104 | 108.6 Ų | 108.6 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -7.3 | 165.9 | -115.7 | 0 | 0 | 0 | 0 | 115 | P49 D53 F54 | P49-V51 PolarHBondContact O-N 3.1Å; V51-D53 VanDerWaalsContact C-N 3.27Å; V51-D53 PolarHBondContact O-N 2.81Å; V51-F54 HydrophobicContact CB-CB 4.28Å; V51-F54 HydrophobicContact CG1-CB 3.7Å; V51-F54 HydrophobicContact CG1-CD2 4.07Å; V51-F54 HydrophobicContact CG1-CG 3.92Å; V51-F54 WeakPolarHBondContact O-CB 3.37Å; V51-F54 PolarHBondContact O-N 2.76Å; V51-F54 VanDerWaalsContact O-N 3.1Å |
| 52 | A | 57.5 | Low | 73 | Confident | 69 Ų | 69 | 110 Ų | 110 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P49 F54 | P49-A52 HydrophobicContact CB-CB 3.37Å; P49-A52 HydrophobicContact CG-CB 3.75Å; P49-A52 WeakPolarHBondContact O-CB 3.18Å; P49-A52 PolarHBondContact O-N 3.42Å; A52-F54 PolarHBondContact O-N 3.01Å |
| 53 | D | 60.6 | Low | 73.4 | Confident | 154 Ų | 154 | 109.7 Ų | 109.7 | 82% | 0.824 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 13.1 | 179.7 | -59.4 | -28.9 | 0 | 0 | 0 | 112 | V51 N55 | V51-D53 VanDerWaalsContact C-N 3.27Å; V51-D53 PolarHBondContact O-N 2.81Å; D53-N55 PolarHBondContact O-N 3.41Å |
| 54 | F | 66 | Low | 73.8 | Confident | 132 Ų | 132 | 113.2 Ų | 113.2 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | trans | -74.1 | 80.1 | 175.5 | -153.4 | -91.1 | 0 | 0 | 0 | 109.3 | V51 A52 P56 | V51-F54 HydrophobicContact CB-CB 4.28Å; V51-F54 HydrophobicContact CG1-CB 3.7Å; V51-F54 HydrophobicContact CG1-CD2 4.07Å; V51-F54 HydrophobicContact CG1-CG 3.92Å; V51-F54 WeakPolarHBondContact O-CB 3.37Å; V51-F54 PolarHBondContact O-N 2.76Å; V51-F54 VanDerWaalsContact O-N 3.1Å; A52-F54 PolarHBondContact O-N 3.01Å; F54-P56 WeakPolarHBondContact O-CD 3.48Å | ||
| 55 | N | 77.3 | Confident | 74.6 | Confident | 71 Ų | 71 | 107.7 Ų | 107.7 | 38% | 0.38 | 56% | 0.56 | S | S | . | * | trans | -90.9 | 104.6 | 171.3 | -174.3 | -23.5 | 0 | 0 | 0 | 109.1 | D53 E57 T58 R59 | D53-N55 PolarHBondContact O-N 3.41Å; N55-E57 PolarHBondContact O-N 3.26Å; N55-E57 WeakPolarHBondContact OD1-CA 3.42Å; N55-E57 WeakPolarHBondContact OD1-CB 3.21Å; N55-E57 PolarHBondContact OD1-N 2.89Å; N55-T58 WeakPolarHBondContact CB-OG1 3.42Å; N55-T58 VanDerWaalsContact CG-OG1 3.22Å; N55-T58 PolarHBondContact ND2-OG1 2.73Å; N55-T58 PolarHBondContact O-N 3.34Å; N55-T58 PolarHBondContact OD1-N 3.25Å; N55-R59 PolarHBondContact O-N 3.5Å; N55-R59 VanDerWaalsContact O-N 3.17Å | ||
| 56 | P | 83.4 | Confident | 75.4 | Confident | 84 Ų | 84 | 109.7 Ų | 109.7 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.3 | -30.2 | 179.1 | 23.7 | -32.5 | 0 | 0 | 0 | 112.3 | F54 R59 Q60 | F54-P56 WeakPolarHBondContact O-CD 3.48Å; P56-R59 PolarHBondContact O-N 3.11Å; P56-Q60 WeakPolarHBondContact O-CB 3.49Å; P56-Q60 PolarHBondContact O-N 3.48Å |
| 57 | E | 85.9 | Confident | 76.6 | Confident | 124 Ų | 124 | 109.4 Ų | 109.4 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.3 | -46.5 | 176 | -55.3 | -172 | 156.5 | 0 | 0 | 111 | N55 R59 Q60 Q61 | N55-E57 PolarHBondContact O-N 3.26Å; N55-E57 WeakPolarHBondContact OD1-CA 3.42Å; N55-E57 WeakPolarHBondContact OD1-CB 3.21Å; N55-E57 PolarHBondContact OD1-N 2.89Å; E57-R59 VanDerWaalsContact C-N 3.26Å; E57-R59 PolarHBondContact O-N 3.28Å; E57-Q60 CarbonylContact O-C 3.56Å; E57-Q60 WeakPolarHBondContact O-CB 3.43Å; E57-Q60 PolarHBondContact O-N 3.41Å; E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 WeakPolarHBondContact O-CG 3.32Å; E57-Q61 PolarHBondContact O-N 3.42Å |
| 58 | T | 85.1 | Confident | 77.7 | Confident | 54 Ų | 54 | 109.8 Ų | 109.8 | 33% | 0.331 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.8 | -38.7 | 177.4 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | N55 K62 | N55-T58 WeakPolarHBondContact CB-OG1 3.42Å; N55-T58 VanDerWaalsContact CG-OG1 3.22Å; N55-T58 PolarHBondContact ND2-OG1 2.73Å; N55-T58 PolarHBondContact O-N 3.34Å; N55-T58 PolarHBondContact OD1-N 3.25Å; T58-K62 HydrophobicContact CG2-CD 4.36Å; T58-K62 WeakPolarHBondContact O-CB 3.4Å; T58-K62 VanDerWaalsContact O-CG 3.32Å; T58-K62 WeakPolarHBondContact O-CG 3.17Å; T58-K62 PolarHBondContact O-N 3.01Å |
| 59 | R | 82.9 | Confident | 78.6 | Confident | 171 Ų | 171 | 115.7 Ų | 115.7 | 65% | 0.645 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.7 | -42.6 | 174.4 | -172.8 | 177.2 | -174.6 | -90.2 | 2.5 | 111.7 | N55 P56 E57 K62 K63 | N55-R59 PolarHBondContact O-N 3.5Å; N55-R59 VanDerWaalsContact O-N 3.17Å; P56-R59 PolarHBondContact O-N 3.11Å; E57-R59 VanDerWaalsContact C-N 3.26Å; E57-R59 PolarHBondContact O-N 3.28Å; R59-K62 PolarHBondContact O-N 3.39Å; R59-K63 WeakPolarHBondContact O-CB 3.41Å; R59-K63 PolarHBondContact O-N 3.33Å |
| 60 | Q | 87.6 | Confident | 79.4 | Confident | 112 Ų | 112 | 116 Ų | 116 | 52% | 0.523 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.3 | -41.9 | 177.3 | -163.3 | -176.3 | 27.4 | 0 | 0 | 111.5 | P56 E57 K63 K64 | P56-Q60 WeakPolarHBondContact O-CB 3.49Å; P56-Q60 PolarHBondContact O-N 3.48Å; E57-Q60 CarbonylContact O-C 3.56Å; E57-Q60 WeakPolarHBondContact O-CB 3.43Å; E57-Q60 PolarHBondContact O-N 3.41Å; Q60-K63 PolarHBondContact O-N 3.04Å; Q60-K64 WeakPolarHBondContact O-CG 3.22Å; Q60-K64 PolarHBondContact O-N 3.41Å |
| 61 | Q | 88.1 | Confident | 80.3 | Confident | 123 Ų | 123 | 114 Ų | 114 | 58% | 0.575 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.6 | -47.3 | 174.9 | -72 | 177.6 | 6.6 | 0 | 0 | 111.4 | E57 K63 K64 A65 | E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 WeakPolarHBondContact O-CG 3.32Å; E57-Q61 PolarHBondContact O-N 3.42Å; Q61-K63 VanDerWaalsContact C-N 3.3Å; Q61-K63 PolarHBondContact O-N 3.28Å; Q61-K64 PolarHBondContact O-N 3.06Å; Q61-A65 WeakPolarHBondContact O-CB 3.28Å; Q61-A65 PolarHBondContact O-N 2.84Å |
| 62 | K | 88.4 | Confident | 81.2 | Confident | 136 Ų | 136 | 115.2 Ų | 115.2 | 59% | 0.591 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -58.9 | -40.5 | 174.6 | -76.3 | 175.7 | 179.9 | 175.9 | 0 | 112 | T58 R59 R66 | T58-K62 HydrophobicContact CG2-CD 4.36Å; T58-K62 WeakPolarHBondContact O-CB 3.4Å; T58-K62 VanDerWaalsContact O-CG 3.32Å; T58-K62 WeakPolarHBondContact O-CG 3.17Å; T58-K62 PolarHBondContact O-N 3.01Å; R59-K62 PolarHBondContact O-N 3.39Å; K62-R66 WeakPolarHBondContact O-CG 3.44Å; K62-R66 PolarHBondContact O-N 3.32Å |
| 63 | K | 89.3 | Confident | 81.6 | Confident | 136 Ų | 136 | 118.2 Ų | 118.2 | 59% | 0.591 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.1 | -49.2 | 173.8 | -175.3 | 179.3 | 178.1 | -178.4 | 0 | 111.1 | R59 Q60 Q61 A65 R66 M67 | R59-K63 WeakPolarHBondContact O-CB 3.41Å; R59-K63 PolarHBondContact O-N 3.33Å; Q60-K63 PolarHBondContact O-N 3.04Å; Q61-K63 VanDerWaalsContact C-N 3.3Å; Q61-K63 PolarHBondContact O-N 3.28Å; K63-A65 VanDerWaalsContact C-N 3.33Å; K63-A65 PolarHBondContact O-N 3.36Å; K63-R66 PolarHBondContact O-N 3.48Å; K63-M67 HydrophobicContact CG-CG 4.46Å; K63-M67 VanDerWaalsContact O-CG 3.3Å; K63-M67 WeakPolarHBondContact O-CG 3.35Å; K63-M67 PolarHBondContact O-N 2.92Å |
| 64 | K | 89.4 | Confident | 81.6 | Confident | 128 Ų | 128 | 116.1 Ų | 116.1 | 56% | 0.557 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.3 | -44 | 176.8 | -75.9 | 178.3 | 178.9 | 179 | 0 | 111.8 | Q60 Q61 M67 S68 | Q60-K64 WeakPolarHBondContact O-CG 3.22Å; Q60-K64 PolarHBondContact O-N 3.41Å; Q61-K64 PolarHBondContact O-N 3.06Å; K64-M67 PolarHBondContact O-N 3.18Å; K64-S68 WeakPolarHBondContact O-CB 3.03Å; K64-S68 PolarHBondContact O-N 3.17Å; K64-S68 PolarHBondContact O-OG 3.45Å |
| 65 | A | 90.1 | Very high | 81.3 | Confident | 52 Ų | 52 | 111.8 Ų | 111.8 | 43% | 0.43 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q61 K63 S68 K69 | Q61-A65 WeakPolarHBondContact O-CB 3.28Å; Q61-A65 PolarHBondContact O-N 2.84Å; K63-A65 VanDerWaalsContact C-N 3.33Å; K63-A65 PolarHBondContact O-N 3.36Å; A65-S68 PolarHBondContact O-N 2.95Å; A65-K69 WeakPolarHBondContact O-CG 3.46Å; A65-K69 PolarHBondContact O-N 3.18Å |
| 66 | R | 89.7 | Confident | 80.4 | Confident | 200 Ų | 200 | 113.7 Ų | 113.7 | 76% | 0.755 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.3 | -46.2 | 175.1 | -74.6 | -179.2 | -177.3 | -171.6 | 0.5 | 112.1 | K62 K63 S68 K69 M70 | K62-R66 WeakPolarHBondContact O-CG 3.44Å; K62-R66 PolarHBondContact O-N 3.32Å; K63-R66 PolarHBondContact O-N 3.48Å; R66-S68 VanDerWaalsContact C-N 3.29Å; R66-S68 PolarHBondContact O-N 3.3Å; R66-K69 PolarHBondContact O-N 3.25Å; R66-M70 PolarHBondContact O-N 3.01Å |
| 67 | M | 86.7 | Confident | 79 | Confident | 106 Ų | 106 | 115.9 Ų | 115.9 | 52% | 0.522 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 176.8 | -67.2 | -56.4 | -62.4 | 0 | 0 | 111.6 | K63 K64 M70 N71 | K63-M67 HydrophobicContact CG-CG 4.46Å; K63-M67 VanDerWaalsContact O-CG 3.3Å; K63-M67 WeakPolarHBondContact O-CG 3.35Å; K63-M67 PolarHBondContact O-N 2.92Å; K64-M67 PolarHBondContact O-N 3.18Å; M67-M70 HydrophobicContact CE-CE 4.44Å; M67-M70 PolarHBondContact O-N 3.37Å; M67-N71 WeakPolarHBondContact O-CB 3.35Å; M67-N71 PolarHBondContact O-N 3.45Å |
| 68 | S | 85.4 | Confident | 77.4 | Confident | 73 Ų | 73 | 117.4 Ų | 117.4 | 51% | 0.51 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66 | -45.5 | 178.1 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | K64 A65 R66 M70 N71 E72 | K64-S68 WeakPolarHBondContact O-CB 3.03Å; K64-S68 PolarHBondContact O-N 3.17Å; K64-S68 PolarHBondContact O-OG 3.45Å; A65-S68 PolarHBondContact O-N 2.95Å; R66-S68 VanDerWaalsContact C-N 3.29Å; R66-S68 PolarHBondContact O-N 3.3Å; S68-M70 VanDerWaalsContact C-N 3.32Å; S68-M70 PolarHBondContact O-N 2.66Å; S68-N71 PolarHBondContact O-N 3.36Å; S68-E72 WeakPolarHBondContact O-CB 3.39Å; S68-E72 PolarHBondContact O-N 3.5Å |
| 69 | K | 83.5 | Confident | 76.3 | Confident | 156 Ų | 156 | 122.5 Ų | 122.5 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.1 | -40.8 | 175 | -73 | -175 | 178.9 | -171.6 | 0 | 112.5 | A65 R66 E72 Y73 | A65-K69 WeakPolarHBondContact O-CG 3.46Å; A65-K69 PolarHBondContact O-N 3.18Å; R66-K69 PolarHBondContact O-N 3.25Å; K69-E72 PolarHBondContact O-N 3.37Å; K69-Y73 PolarHBondContact O-N 3.44Å; K69-Y73 VanDerWaalsContact O-N 3.11Å |
| 70 | M | 77.3 | Confident | 75.5 | Confident | 102 Ų | 102 | 117.8 Ų | 117.8 | 50% | 0.502 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -47.6 | 175.7 | -161.9 | 175.3 | 94.8 | 0 | 0 | 110.2 | R66 M67 S68 E72 Y73 F74 | R66-M70 PolarHBondContact O-N 3.01Å; M67-M70 HydrophobicContact CE-CE 4.44Å; M67-M70 PolarHBondContact O-N 3.37Å; S68-M70 VanDerWaalsContact C-N 3.32Å; S68-M70 PolarHBondContact O-N 2.66Å; M70-E72 VanDerWaalsContact C-N 3.32Å; M70-E72 PolarHBondContact O-N 3.39Å; M70-Y73 PolarHBondContact O-N 3.21Å; M70-F74 HydrophobicContact CG-CD2 3.8Å; M70-F74 HydrophobicContact CG-CE2 3.61Å; M70-F74 WeakPolarHBondContact O-CD2 3.37Å; M70-F74 PolarHBondContact O-N 2.78Å; M70-F74 HydrophobicContact SD-CE2 4.38Å |
| 71 | N | 76.3 | Confident | 75.3 | Confident | 106 Ų | 106 | 118.1 Ų | 118.1 | 57% | 0.567 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.6 | -39.7 | 177.5 | -169 | 43.2 | 0 | 0 | 0 | 112.4 | M67 S68 F74 S75 | M67-N71 WeakPolarHBondContact O-CB 3.35Å; M67-N71 PolarHBondContact O-N 3.45Å; S68-N71 PolarHBondContact O-N 3.36Å; N71-F74 PolarHBondContact O-N 2.77Å; N71-S75 WeakPolarHBondContact O-CA 3.3Å; N71-S75 WeakPolarHBondContact O-CB 3.48Å; N71-S75 PolarHBondContact O-N 3.42Å; N71-S75 PolarHBondContact O-OG 2.94Å; N71-S75 PolarHBondContact OD1-OG 2.85Å |
| 72 | E | 75.1 | Confident | 75.4 | Confident | 130 Ų | 130 | 118.1 Ų | 118.1 | 61% | 0.607 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.3 | -47 | 176.1 | -174.3 | -177.4 | 171.2 | 0 | 0 | 111.8 | S68 K69 M70 F74 S75 T76 | S68-E72 WeakPolarHBondContact O-CB 3.39Å; S68-E72 PolarHBondContact O-N 3.5Å; K69-E72 PolarHBondContact O-N 3.37Å; M70-E72 VanDerWaalsContact C-N 3.32Å; M70-E72 PolarHBondContact O-N 3.39Å; E72-F74 PolarHBondContact O-N 2.83Å; E72-S75 PolarHBondContact O-N 2.88Å; E72-T76 PolarHBondContact O-N 2.78Å; E72-T76 PolarHBondContact O-OG1 3.06Å |
| 73 | Y | 65.3 | Low | 75.8 | Confident | 132 Ų | 132 | 112.6 Ų | 112.6 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 176.6 | 179 | -100.4 | 0 | 0 | 0 | 112.7 | K69 M70 T76 K77 | K69-Y73 PolarHBondContact O-N 3.44Å; K69-Y73 VanDerWaalsContact O-N 3.11Å; M70-Y73 PolarHBondContact O-N 3.21Å; Y73-T76 PolarHBondContact O-OG1 2.95Å; Y73-K77 PolarHBondContact O-N 2.89Å; Y73-K77 PolarHBondContact OH-NZ 3.25Å |
| 74 | F | 61.2 | Low | 76.1 | Confident | 110 Ų | 110 | 106.1 Ų | 106.1 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.3 | -33.7 | 176.9 | -76.4 | -76.2 | 0 | 0 | 0 | 113 | M70 N71 E72 Y78 | M70-F74 HydrophobicContact CG-CD2 3.8Å; M70-F74 HydrophobicContact CG-CE2 3.61Å; M70-F74 WeakPolarHBondContact O-CD2 3.37Å; M70-F74 PolarHBondContact O-N 2.78Å; M70-F74 HydrophobicContact SD-CE2 4.38Å; N71-F74 PolarHBondContact O-N 2.77Å; E72-F74 PolarHBondContact O-N 2.83Å; F74-Y78 PolarHBondContact O-N 3.04Å |
| 75 | S | 60 | Low | 76.4 | Confident | 41 Ų | 41 | 101.5 Ų | 101.5 | 29% | 0.287 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.7 | -32.2 | -178.6 | -66.5 | 0 | 0 | 0 | 0 | 113 | N71 E72 K79 | N71-S75 WeakPolarHBondContact O-CA 3.3Å; N71-S75 WeakPolarHBondContact O-CB 3.48Å; N71-S75 PolarHBondContact O-N 3.42Å; N71-S75 PolarHBondContact O-OG 2.94Å; N71-S75 PolarHBondContact OD1-OG 2.85Å; E72-S75 PolarHBondContact O-N 2.88Å; S75-K79 VanDerWaalsContact O-CB 3.28Å; S75-K79 WeakPolarHBondContact O-CB 3.44Å; S75-K79 WeakPolarHBondContact O-CG 3.17Å; S75-K79 PolarHBondContact O-N 3.4Å |
| 76 | T | 58.8 | Low | 76.7 | Confident | 112 Ų | 112 | 106.8 Ų | 106.8 | 69% | 0.687 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -79.1 | -34.8 | 178.3 | 42.8 | 0 | 0 | 0 | 0 | 112 | E72 Y73 | E72-T76 PolarHBondContact O-N 2.78Å; E72-T76 PolarHBondContact O-OG1 3.06Å; Y73-T76 PolarHBondContact O-OG1 2.95Å |
| 77 | K | 53.4 | Low | 77.1 | Confident | 129 Ų | 129 | 100.8 Ų | 100.8 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -83.6 | -22.6 | -175.6 | -140.3 | -178 | -170.6 | 179.7 | 0 | 114.5 | Y73 | Y73-K77 PolarHBondContact O-N 2.89Å; Y73-K77 PolarHBondContact OH-NZ 3.25Å |
| 78 | Y | 52.8 | Low | 77.5 | Confident | 157 Ų | 157 | 95.7 Ų | 95.7 | 62% | 0.616 | 46% | 0.461 | S | S | * | . | trans | -138.7 | 34.1 | -175.3 | -63 | -79.9 | 0 | 0 | 0 | 114 | F74 V80 | F74-Y78 PolarHBondContact O-N 3.04Å; Y78-V80 PolarHBondContact O-N 2.66Å | ||
| 79 | K | 60.6 | Low | 78.1 | Confident | 161 Ų | 161 | 97.5 Ų | 97.5 | 70% | 0.7 | 46% | 0.456 | S | S | * | . | trans | -70.1 | 69.8 | 165.4 | -112.7 | -178.1 | -174.4 | -176.8 | 0 | 109.1 | S75 M81 | S75-K79 VanDerWaalsContact O-CB 3.28Å; S75-K79 WeakPolarHBondContact O-CB 3.44Å; S75-K79 WeakPolarHBondContact O-CG 3.17Å; S75-K79 PolarHBondContact O-N 3.4Å; K79-M81 VanDerWaalsContact C-N 3.27Å; K79-M81 WeakPolarHBondContact O-CG 3.5Å; K79-M81 PolarHBondContact O-N 2.85Å | ||
| 80 | V | 67.3 | Low | 78.7 | Confident | 72 Ų | 72 | 90 Ų | 90 | 44% | 0.436 | 42% | 0.424 | S | S | . | . | trans | -62.1 | 103.4 | 162.3 | 179.3 | 0 | 0 | 0 | 0 | 104.7 | Y78 R82 R129 | Y78-V80 PolarHBondContact O-N 2.66Å; V80-R82 PolarHBondContact O-N 3.36Å; V80-R129 VanDerWaalsContact CB-CZ 3.48Å; V80-R129 HydrophobicContact CG1-CB 3.91Å; V80-R129 HydrophobicContact CG1-CG 4.28Å; V80-R129 VanDerWaalsContact CG1-NE 3.34Å | ||
| 81 | M | 81.9 | Confident | 79.6 | Confident | 118 Ų | 118 | 88.9 Ų | 88.9 | 58% | 0.581 | 42% | 0.419 | S | S | * | . | trans | -65.6 | 132.3 | -177.1 | -66.9 | -169 | 58.2 | 0 | 0 | 107.4 | K79 K83 | K79-M81 VanDerWaalsContact C-N 3.27Å; K79-M81 WeakPolarHBondContact O-CG 3.5Å; K79-M81 PolarHBondContact O-N 2.85Å; M81-K83 PolarHBondContact O-N 2.74Å | ||
| 82 | R | 91.9 | Very high | 80.4 | Confident | 123 Ų | 123 | 86.6 Ų | 86.6 | 46% | 0.464 | 41% | 0.411 | S | S | . | . | trans | -56.4 | 139 | 167.9 | -68 | 177.4 | -68.1 | 159.5 | 2.4 | 107.1 | V80 L91 N127 R129 | V80-R82 PolarHBondContact O-N 3.36Å; R82-L91 HydrophobicContact CB-CD1 3.88Å; R82-L91 WeakPolarHBondContact O-CD1 3.03Å; R82-N127 PolarHBondContact NH1-OD1 3.02Å; R82-R129 HydrophobicContact CG-CG 4.09Å | ||
| 83 | K | 94.8 | Very high | 81.3 | Confident | 21 Ų | 21 | 83 Ų | 83 | 9% | 0.091 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -87.8 | -25.2 | 172.3 | -55.2 | -55.5 | -170.1 | 177.5 | 0 | 110.9 | M81 L90 L91 R128 R129 V150 P151 D152 | M81-K83 PolarHBondContact O-N 2.74Å; K83-L90 CarbonylContact O-C 3.5Å; K83-L90 WeakPolarHBondContact O-CA 3.4Å; K83-L91 PolarHBondContact O-N 3.22Å; K83-R128 PolarHBondContact N-O 2.71Å; K83-R129 WeakPolarHBondContact CG-O 3.44Å; K83-V150 HydrophobicContact CD-CG1 3.82Å; K83-V150 HydrophobicContact CG-CG1 4.45Å; K83-P151 PolarHBondContact NZ-O 3.39Å; K83-D152 PolarHBondContact NZ-OXT 3.07Å |
| 84 | Y | 96.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -119.6 | 149 | -179.4 | -68.1 | -91.7 | 0 | 0 | 0 | 112.5 | G88 R89 L90 R125 N127 R128 W130 V131 | Y84-G88 VanDerWaalsContact CD1-O 3.24Å; Y84-G88 WeakPolarHBondContact CD1-O 3.29Å; Y84-R89 CarbonylContact C-O 3.5Å; Y84-R89 WeakPolarHBondContact CA-O 3.42Å; Y84-L90 HydrophobicContact CD1-CD2 4.03Å; Y84-L90 HydrophobicContact CD1-CG 4.29Å; Y84-L90 HydrophobicContact CD2-CD2 4.34Å; Y84-L90 HydrophobicContact CE1-CD2 3.54Å; Y84-L90 HydrophobicContact CE1-CG 3.79Å; Y84-L90 HydrophobicContact CE2-CD2 3.84Å; Y84-L90 HydrophobicContact CG-CD2 4.43Å; Y84-L90 VanDerWaalsContact CZ-CD2 3.45Å; Y84-R125 WeakPolarHBondContact CB-O 3.44Å; Y84-R125 HydrophobicContact CD1-CB 4.07Å; Y84-R125 HydrophobicContact CE1-CB 4.24Å; Y84-R125 HydrophobicContact CE1-CG 4.31Å; Y84-R125 HydrophobicContact CG-CB 4.31Å; Y84-N127 WeakPolarHBondContact O-CA 3.39Å; Y84-R128 HydrophobicContact CD2-CB 3.96Å; Y84-R128 VanDerWaalsContact CE2-NH2 3.28Å; Y84-R128 PolarHBondContact N-O 3.07Å; Y84-R128 VanDerWaalsContact N-O 3.12Å; Y84-R128 PolarHBondContact OH-NH2 2.64Å; Y84-W130 WeakPolarHBondContact CE2-O 3.4Å; Y84-V131 HydrophobicContact CE2-CB 4.1Å; Y84-V131 HydrophobicContact CE2-CG2 4.19Å; Y84-V131 WeakPolarHBondContact OH-CG2 3.17Å |
| 85 | D | 96.1 | Very high | 84.4 | Confident | 31 Ų | 31 | 79 Ų | 79 | 17% | 0.166 | 39% | 0.39 | C | S | . | . | trans | -80.2 | -176.4 | 173.7 | 78.4 | 1.1 | 0 | 0 | 0 | 112.3 | S87 G88 R89 L91 C126 N127 | D85-S87 PolarHBondContact O-N 3.38Å; D85-S87 VanDerWaalsContact OD1-C 3.31Å; D85-S87 VanDerWaalsContact OD1-CA 3.31Å; D85-S87 WeakPolarHBondContact OD1-CA 3.41Å; D85-S87 WeakPolarHBondContact OD1-CB 3.35Å; D85-S87 PolarHBondContact OD1-N 3.12Å; D85-G88 PolarHBondContact O-N 3.13Å; D85-G88 PolarHBondContact OD1-N 2.81Å; D85-R89 PolarHBondContact N-O 2.85Å; D85-R89 PolarHBondContact OD1-N 3.12Å; D85-L91 HydrophobicContact CB-CD2 3.75Å; D85-L91 HydrophobicContact CB-CG 4.42Å; D85-C126 CarbonylContact O-C 3.51Å; D85-C126 WeakPolarHBondContact O-CA 3.14Å; D85-N127 PolarHBondContact O-N 3.39Å | ||
| 86 | K | 96.8 | Very high | 86.2 | Confident | 163 Ų | 163 | 78.9 Ų | 78.9 | 71% | 0.709 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.3 | 178.8 | 62.5 | -179.7 | 178.8 | 179 | 0 | 114.3 | C126 N127 | K86-C126 WeakPolarHBondContact O-CB 3.44Å; K86-C126 PolarHBondContact O-SG 3.42Å; K86-N127 WeakPolarHBondContact CA-OD1 3.46Å; K86-N127 PolarHBondContact N-OD1 3.39Å |
| 87 | S | 96.5 | Very high | 88 | Confident | 73 Ų | 73 | 73.6 Ų | 73.6 | 51% | 0.51 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -0.9 | -179.5 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | D85 | D85-S87 PolarHBondContact O-N 3.38Å; D85-S87 VanDerWaalsContact OD1-C 3.31Å; D85-S87 VanDerWaalsContact OD1-CA 3.31Å; D85-S87 WeakPolarHBondContact OD1-CA 3.41Å; D85-S87 WeakPolarHBondContact OD1-CB 3.35Å; D85-S87 PolarHBondContact OD1-N 3.12Å |
| 88 | G | 96.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 83.5 | 20.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y84 D85 R125 | Y84-G88 VanDerWaalsContact CD1-O 3.24Å; Y84-G88 WeakPolarHBondContact CD1-O 3.29Å; D85-G88 PolarHBondContact O-N 3.13Å; D85-G88 PolarHBondContact OD1-N 2.81Å; G88-R125 VanDerWaalsContact O-CZ 3.27Å; G88-R125 PolarHBondContact O-NH1 2.81Å |
| 89 | R | 97.1 | Very high | 92.2 | Very high | 110 Ų | 110 | 60.1 Ų | 60.1 | 42% | 0.415 | 30% | 0.298 | S | S | . | . | trans | -94.4 | 145.3 | 173.8 | -60.5 | 176.5 | 177.7 | -91.4 | -6.1 | 110.9 | Y84 D85 D96 | Y84-R89 CarbonylContact C-O 3.5Å; Y84-R89 WeakPolarHBondContact CA-O 3.42Å; D85-R89 PolarHBondContact N-O 2.85Å; D85-R89 PolarHBondContact OD1-N 3.12Å; R89-D96 HydrophobicContact CG-CB 4.09Å | ||
| 90 | L | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -63.1 | 133.4 | 177 | -74.5 | 171.5 | 0 | 0 | 0 | 110.9 | K83 Y84 N93 N94 V95 L97 V131 F148 | K83-L90 CarbonylContact O-C 3.5Å; K83-L90 WeakPolarHBondContact O-CA 3.4Å; Y84-L90 HydrophobicContact CD1-CD2 4.03Å; Y84-L90 HydrophobicContact CD1-CG 4.29Å; Y84-L90 HydrophobicContact CD2-CD2 4.34Å; Y84-L90 HydrophobicContact CE1-CD2 3.54Å; Y84-L90 HydrophobicContact CE1-CG 3.79Å; Y84-L90 HydrophobicContact CE2-CD2 3.84Å; Y84-L90 HydrophobicContact CG-CD2 4.43Å; Y84-L90 VanDerWaalsContact CZ-CD2 3.45Å; L90-N93 WeakPolarHBondContact CB-OD1 3.34Å; L90-N94 WeakPolarHBondContact O-CA 3.43Å; L90-N94 PolarHBondContact O-N 2.69Å; L90-V95 PolarHBondContact N-O 3.02Å; L90-L97 HydrophobicContact CD1-CB 3.85Å; L90-L97 HydrophobicContact CD1-CD2 3.97Å; L90-L97 HydrophobicContact CG-CB 4.45Å; L90-V131 HydrophobicContact CD2-CG2 4.39Å; L90-F148 HydrophobicContact CD1-CD2 3.71Å; L90-F148 HydrophobicContact CD1-CE2 4.13Å |
| 91 | L | 95.3 | Very high | 95.3 | Very high | 78 Ų | 78 | 50.3 Ų | 50.3 | 41% | 0.408 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -25.8 | -178.3 | -76.2 | 172.7 | 0 | 0 | 0 | 113.5 | R82 K83 D85 | R82-L91 HydrophobicContact CB-CD1 3.88Å; R82-L91 WeakPolarHBondContact O-CD1 3.03Å; K83-L91 PolarHBondContact O-N 3.22Å; D85-L91 HydrophobicContact CB-CD2 3.75Å; D85-L91 HydrophobicContact CB-CG 4.42Å |
| 92 | C | 93.4 | Very high | 96 | Very high | 57 Ų | 57 | 49.7 Ų | 49.7 | 39% | 0.385 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -29.1 | -178 | 59.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 93 | N | 94.6 | Very high | 96 | Very high | 55 Ų | 55 | 49.6 Ų | 49.6 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.8 | 4.5 | -173.5 | 65.6 | 3 | 0 | 0 | 0 | 114.5 | L90 V95 F148 | L90-N93 WeakPolarHBondContact CB-OD1 3.34Å; N93-V95 HydrophobicContact CB-CG2 4.28Å; N93-V95 PolarHBondContact O-N 2.89Å; N93-V95 VanDerWaalsContact O-N 3.16Å; N93-V95 WeakPolarHBondContact OD1-CB 3.32Å; N93-V95 PolarHBondContact OD1-N 3.07Å; N93-V95 VanDerWaalsContact OD1-N 3.12Å; N93-F148 WeakPolarHBondContact ND2-CD1 3.17Å; N93-F148 WeakPolarHBondContact ND2-CD2 3.37Å; N93-F148 VanDerWaalsContact ND2-CG 3.29Å; N93-F148 WeakPolarHBondContact ND2-CG 3.41Å |
| 94 | N | 95.7 | Very high | 96 | Very high | 107 Ų | 107 | 55.4 Ų | 55.4 | 57% | 0.572 | 28% | 0.284 | S | S | * | . | trans | 60.6 | 15.8 | -178.7 | -57.5 | -62.4 | 0 | 0 | 0 | 115.6 | L90 | L90-N94 WeakPolarHBondContact O-CA 3.43Å; L90-N94 PolarHBondContact O-N 2.69Å | ||
| 95 | V | 96.1 | Very high | 96 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 30% | 0.303 | 29% | 0.29 | S | S | . | . | trans | -78.1 | 135.9 | 180 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | L90 N93 L97 F148 | L90-V95 PolarHBondContact N-O 3.02Å; N93-V95 HydrophobicContact CB-CG2 4.28Å; N93-V95 PolarHBondContact O-N 2.89Å; N93-V95 VanDerWaalsContact O-N 3.16Å; N93-V95 WeakPolarHBondContact OD1-CB 3.32Å; N93-V95 PolarHBondContact OD1-N 3.07Å; N93-V95 VanDerWaalsContact OD1-N 3.12Å; V95-L97 VanDerWaalsContact C-N 3.25Å; V95-L97 HydrophobicContact CG1-CB 4.31Å; V95-L97 PolarHBondContact O-N 3.32Å; V95-L97 VanDerWaalsContact O-N 3.08Å; V95-F148 HydrophobicContact CB-CE2 4.1Å; V95-F148 HydrophobicContact CB-CZ 4.21Å; V95-F148 HydrophobicContact CG1-CE2 3.84Å; V95-F148 HydrophobicContact CG1-CZ 3.85Å; V95-F148 HydrophobicContact CG2-CE2 4.41Å; V95-F148 HydrophobicContact CG2-CZ 4.08Å | ||
| 96 | D | 96.6 | Very high | 96 | Very high | 40 Ų | 40 | 62.8 Ų | 62.8 | 21% | 0.214 | 32% | 0.323 | C | S | . | . | trans | -84.6 | 65.2 | 173.4 | -173.4 | 23.9 | 0 | 0 | 0 | 111.4 | R89 C98 K119 R125 | R89-D96 HydrophobicContact CG-CB 4.09Å; D96-C98 PolarHBondContact O-N 2.96Å; D96-K119 PolarHBondContact O-NZ 3.48Å; D96-K119 WeakPolarHBondContact OD2-CD 3.23Å; D96-K119 WeakPolarHBondContact OD2-CE 3.24Å; D96-K119 IonicContact OD2-NZ 3.81Å; D96-R125 IonicContact OD1-CZ 3.23Å; D96-R125 VanDerWaalsContact OD1-CZ 3.23Å; D96-R125 IonicContact OD1-NH1 2.71Å; D96-R125 PolarHBondContact OD1-NH1 3.16Å; D96-R125 IonicContact OD1-NH2 2.78Å; D96-R125 PolarHBondContact OD1-NH2 2.79Å | ||
| 97 | L | 97 | Very high | 96 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | trans | -75.5 | 121.5 | -178.2 | -175 | 67.5 | 0 | 0 | 0 | 110.8 | L90 V95 L101 R125 L146 P147 F148 | L90-L97 HydrophobicContact CD1-CB 3.85Å; L90-L97 HydrophobicContact CD1-CD2 3.97Å; L90-L97 HydrophobicContact CG-CB 4.45Å; V95-L97 VanDerWaalsContact C-N 3.25Å; V95-L97 HydrophobicContact CG1-CB 4.31Å; V95-L97 PolarHBondContact O-N 3.32Å; V95-L97 VanDerWaalsContact O-N 3.08Å; L97-L101 HydrophobicContact CD2-CD2 4.01Å; L97-R125 PolarHBondContact O-NH1 3.08Å; L97-L146 HydrophobicContact CD2-CD1 3.71Å; L97-P147 HydrophobicContact CD1-CG 3.91Å; L97-P147 HydrophobicContact CD2-CG 4.05Å; L97-F148 HydrophobicContact CB-CE2 4.3Å; L97-F148 HydrophobicContact CD1-CE2 4.14Å; L97-F148 HydrophobicContact CD2-CD2 4.04Å; L97-F148 HydrophobicContact CD2-CE2 4Å; L97-F148 HydrophobicContact CG-CE2 4.37Å | ||
| 98 | C | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -64.2 | 151.9 | 174.1 | -172 | 0 | 0 | 0 | 0 | 111.1 | D96 C100 L101 C105 C108 K119 | D96-C98 PolarHBondContact O-N 2.96Å; C98-C100 PolarHBondContact O-N 2.91Å; C98-C100 VanDerWaalsContact O-N 3.09Å; C98-C100 PolarHBondContact SG-SG 2.89Å; C98-L101 PolarHBondContact O-N 2.87Å; C98-C105 HydrophobicContact CB-CB 3.85Å; C98-C108 VanDerWaalsContact SG-SG 3.62Å; C98-K119 HydrophobicContact CB-CB 4.04Å; C98-K119 HydrophobicContact CB-CG 4.01Å; C98-K119 VanDerWaalsContact SG-CA 3.54Å; C98-K119 PolarHBondContact SG-O 2.82Å | ||
| 99 | D | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.011 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -9.2 | 176.2 | -80.2 | -13.9 | 0 | 0 | 0 | 114 | L101 F109 K119 G121 R125 R128 Y132 | D99-L101 PolarHBondContact O-N 3.22Å; D99-F109 HydrophobicContact CB-CE2 3.86Å; D99-F109 HydrophobicContact CB-CZ 4.34Å; D99-K119 PolarHBondContact N-O 3.46Å; D99-G121 PolarHBondContact OD2-N 2.83Å; D99-R125 WeakPolarHBondContact OD1-CD 3.42Å; D99-R125 WeakPolarHBondContact OD1-CG 3.23Å; D99-R128 VanDerWaalsContact CG-NH1 3.28Å; D99-R128 IonicContact OD1-CZ 3.78Å; D99-R128 IonicContact OD1-NH1 2.79Å; D99-R128 PolarHBondContact OD1-NH1 2.89Å; D99-R128 VanDerWaalsContact OD1-NH1 3.09Å; D99-R128 IonicContact OD1-NH2 3.9Å; D99-R128 PolarHBondContact OD1-NH2 3.47Å; D99-R128 IonicContact OD2-CZ 3.51Å; D99-R128 IonicContact OD2-NH1 2.72Å; D99-R128 PolarHBondContact OD2-NH1 3.45Å; D99-R128 IonicContact OD2-NH2 3.34Å; D99-Y132 HydrophobicContact CB-CD2 4.16Å; D99-Y132 HydrophobicContact CB-CE2 4.03Å |
| 100 | C | 96.6 | Very high | 96 | Very high | 25 Ų | 25 | 65.3 Ų | 65.3 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2.6 | 167.5 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | C98 E102 C108 F109 S144 | C98-C100 PolarHBondContact O-N 2.91Å; C98-C100 VanDerWaalsContact O-N 3.09Å; C98-C100 PolarHBondContact SG-SG 2.89Å; C100-E102 PolarHBondContact O-N 2.8Å; C100-E102 VanDerWaalsContact O-N 3.07Å; C100-C108 VanDerWaalsContact CB-SG 3.54Å; C100-F109 HydrophobicContact CB-CE2 4.31Å; C100-S144 PolarHBondContact O-OG 2.94Å |
| 101 | L | 96.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | trans | 64.6 | 3.9 | 179.1 | -52.2 | 177 | 0 | 0 | 0 | 115.7 | L97 C98 D99 I135 S144 L146 | L97-L101 HydrophobicContact CD2-CD2 4.01Å; C98-L101 PolarHBondContact O-N 2.87Å; D99-L101 PolarHBondContact O-N 3.22Å; L101-I135 HydrophobicContact CD1-CG1 4.19Å; L101-S144 WeakPolarHBondContact CB-OG 3.18Å; L101-L146 HydrophobicContact CD2-CD1 4.02Å | ||
| 102 | E | 95.8 | Very high | 96.2 | Very high | 104 Ų | 104 | 65.7 Ų | 65.7 | 49% | 0.486 | 35% | 0.348 | S | S | . | . | trans | -78.3 | 128 | 174.3 | 179.1 | 53.8 | -112 | 0 | 0 | 111.7 | C100 N104 C105 | C100-E102 PolarHBondContact O-N 2.8Å; C100-E102 VanDerWaalsContact O-N 3.07Å; E102-N104 PolarHBondContact O-N 3.45Å; E102-C105 HydrophobicContact CB-CB 4.04Å; E102-C105 HydrophobicContact CG-CB 4.22Å; E102-C105 WeakPolarHBondContact O-CB 3.06Å; E102-C105 PolarHBondContact O-N 3.25Å | ||
| 103 | K | 93 | Very high | 96.4 | Very high | 121 Ų | 121 | 69.1 Ų | 69.1 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -41.8 | -171.3 | -71.6 | 177.6 | 179.4 | 173.3 | 0 | 112.6 | P147 | K103-P147 HydrophobicContact CD-CB 4.22Å; K103-P147 HydrophobicContact CG-CB 3.96Å; K103-P147 HydrophobicContact CG-CG 3.94Å |
| 104 | N | 94.1 | Very high | 96.6 | Very high | 143 Ų | 143 | 74.4 Ų | 74.4 | 77% | 0.765 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 16.1 | -174.1 | -62.4 | -40.7 | 0 | 0 | 0 | 112.7 | E102 L106 | E102-N104 PolarHBondContact O-N 3.45Å; N104-L106 PolarHBondContact O-N 3.22Å |
| 105 | C | 96.5 | Very high | 96.7 | Very high | 19 Ų | 19 | 71.5 Ų | 71.5 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | trans | -66 | 121.8 | 179.9 | -175.8 | 0 | 0 | 0 | 0 | 111 | C98 E102 G107 K119 | C98-C105 HydrophobicContact CB-CB 3.85Å; E102-C105 HydrophobicContact CB-CB 4.04Å; E102-C105 HydrophobicContact CG-CB 4.22Å; E102-C105 WeakPolarHBondContact O-CB 3.06Å; E102-C105 PolarHBondContact O-N 3.25Å; C105-G107 PolarHBondContact O-N 3.22Å; C105-G107 PolarHBondContact SG-N 3.14Å; C105-K119 WeakPolarHBondContact O-CE 3.21Å; C105-K119 PolarHBondContact O-NZ 2.72Å | ||
| 106 | L | 95.8 | Very high | 96.7 | Very high | 167 Ų | 167 | 75.1 Ų | 75.1 | 87% | 0.874 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -72.3 | -17 | 173.4 | -60.5 | 178.7 | 0 | 0 | 0 | 112.7 | N104 | N104-L106 PolarHBondContact O-N 3.22Š|
| 107 | G | 97.1 | Very high | 96.8 | Very high | 28 Ų | 28 | 74.6 Ų | 74.6 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | trans | 130.1 | 119.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | C105 N118 | C105-G107 PolarHBondContact O-N 3.22Å; C105-G107 PolarHBondContact SG-N 3.14Å; G107-N118 CarbonylContact C-O 3.33Å; G107-N118 WeakPolarHBondContact CA-O 3.49Å | ||
| 108 | C | 97.3 | Very high | 96.8 | Very high | 76 Ų | 76 | 78 Ų | 78 | 51% | 0.514 | 41% | 0.413 | S | S | . | . | trans | -114.2 | -4.7 | -176.8 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | C98 C100 N118 | C98-C108 VanDerWaalsContact SG-SG 3.62Å; C100-C108 VanDerWaalsContact CB-SG 3.54Å; C108-N118 PolarHBondContact N-O 2.81Å; C108-N118 VanDerWaalsContact N-O 3.14Å | ||
| 109 | F | 96.7 | Very high | 96.8 | Very high | 76 Ų | 76 | 79.4 Ų | 79.4 | 33% | 0.333 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -102.3 | 161.9 | 178.8 | -65 | -80.1 | 0 | 0 | 0 | 110.7 | D99 C100 N118 C120 | D99-F109 HydrophobicContact CB-CE2 3.86Å; D99-F109 HydrophobicContact CB-CZ 4.34Å; C100-F109 HydrophobicContact CB-CE2 4.31Å; F109-N118 PolarHBondContact N-O 2.79Å; F109-N118 WeakPolarHBondContact O-CB 3.47Å; F109-C120 WeakPolarHBondContact CB-O 2.97Å; F109-C120 WeakPolarHBondContact CD2-O 3.5Å; F109-C120 WeakPolarHBondContact CG-O 3.27Å |
| 110 | Y | 96.9 | Very high | 96.9 | Very high | 219 Ų | 219 | 79.4 Ų | 79.4 | 86% | 0.859 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 154.3 | 169.3 | -74.2 | -72.2 | 0 | 0 | 0 | 111.4 | C112 | Y110-C112 PolarHBondContact O-N 3.45Å; Y110-C112 VanDerWaalsContact O-N 3.16Å |
| 111 | P | 97.8 | Very high | 96.8 | Very high | 78 Ų | 78 | 79 Ų | 79 | 51% | 0.506 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 122.9 | 178.8 | -23.5 | 30.4 | 0 | 0 | 0 | 111.8 | N118 | P111-N118 WeakPolarHBondContact CA-OD1 3.31Å; P111-N118 WeakPolarHBondContact CB-OD1 3.4Å; P111-N118 VanDerWaalsContact CG-OD1 3.28Å; P111-N118 WeakPolarHBondContact CG-OD1 3.46Å |
| 112 | C | 98.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 84.7 Ų | 84.7 | 6% | 0.061 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 128.1 | 179.7 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | Y110 K114 C115 N116 S117 C120 C124 | Y110-C112 PolarHBondContact O-N 3.45Å; Y110-C112 VanDerWaalsContact O-N 3.16Å; C112-K114 PolarHBondContact O-N 3.46Å; C112-C115 PolarHBondContact O-N 3.36Å; C112-N116 WeakPolarHBondContact O-CA 3.21Å; C112-N116 PolarHBondContact O-N 2.8Å; C112-N116 PolarHBondContact O-OD1 3.43Å; C112-S117 VanDerWaalsContact CB-O 3.26Å; C112-S117 WeakPolarHBondContact CB-O 3.24Å; C112-S117 PolarHBondContact N-O 2.72Å; C112-C120 HydrophobicContact CB-CB 3.92Å; C112-C124 VanDerWaalsContact SG-SG 3.68Å |
| 113 | P | 97.4 | Very high | 96.8 | Very high | 128 Ų | 128 | 84.1 Ų | 84.1 | 83% | 0.831 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -14.2 | -179.1 | 26.6 | -35.5 | 0 | 0 | 0 | 114 | ||
| 114 | K | 97.6 | Very high | 97.1 | Very high | 166 Ų | 166 | 78.9 Ų | 78.9 | 72% | 0.722 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -35.2 | 179.5 | -62.8 | -171.3 | -174.5 | 175.2 | 0 | 113.9 | C112 C124 | C112-K114 PolarHBondContact O-N 3.46Å; K114-C124 HydrophobicContact CB-CB 4.14Å; K114-C124 HydrophobicContact CD-CB 3.8Å; K114-C124 HydrophobicContact CG-CB 4.35Å |
| 115 | C | 97.6 | Very high | 97.2 | Very high | 47 Ų | 47 | 72.1 Ų | 72.1 | 32% | 0.318 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | 1.9 | -171.9 | 69.4 | 0 | 0 | 0 | 0 | 114.4 | C112 S117 C120 C126 | C112-C115 PolarHBondContact O-N 3.36Å; C115-S117 PolarHBondContact O-N 2.81Å; C115-S117 VanDerWaalsContact SG-CB 3.55Å; C115-C120 VanDerWaalsContact SG-SG 3.61Å; C115-C126 VanDerWaalsContact CB-SG 3.59Å |
| 116 | N | 97.4 | Very high | 97.3 | Very high | 126 Ų | 126 | 72.7 Ų | 72.7 | 67% | 0.674 | 40% | 0.4 | S | S | * | . | trans | 57.4 | 9.1 | -177.3 | -60 | -12.4 | 0 | 0 | 0 | 115.6 | C112 | C112-N116 WeakPolarHBondContact O-CA 3.21Å; C112-N116 PolarHBondContact O-N 2.8Å; C112-N116 PolarHBondContact O-OD1 3.43Å | ||
| 117 | S | 97.4 | Very high | 97.3 | Very high | 29 Ų | 29 | 68 Ų | 68 | 20% | 0.203 | 38% | 0.376 | C | S | . | . | trans | -74.6 | 138 | 174.5 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | C112 C115 K119 R125 | C112-S117 VanDerWaalsContact CB-O 3.26Å; C112-S117 WeakPolarHBondContact CB-O 3.24Å; C112-S117 PolarHBondContact N-O 2.72Å; C115-S117 PolarHBondContact O-N 2.81Å; C115-S117 VanDerWaalsContact SG-CB 3.55Å; S117-K119 PolarHBondContact O-N 3.09Å; S117-K119 PolarHBondContact OG-N 2.76Å; S117-R125 PolarHBondContact OG-NH2 2.84Å | ||
| 118 | N | 98 | Very high | 97.2 | Very high | 71 Ų | 71 | 67.1 Ų | 67.1 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 9.3 | 173.3 | -61.9 | -22.1 | 0 | 0 | 0 | 113.3 | G107 C108 F109 P111 | G107-N118 CarbonylContact C-O 3.33Å; G107-N118 WeakPolarHBondContact CA-O 3.49Å; C108-N118 PolarHBondContact N-O 2.81Å; C108-N118 VanDerWaalsContact N-O 3.14Å; F109-N118 PolarHBondContact N-O 2.79Å; F109-N118 WeakPolarHBondContact O-CB 3.47Å; P111-N118 WeakPolarHBondContact CA-OD1 3.31Å; P111-N118 WeakPolarHBondContact CB-OD1 3.4Å; P111-N118 VanDerWaalsContact CG-OD1 3.28Å; P111-N118 WeakPolarHBondContact CG-OD1 3.46Å |
| 119 | K | 98.3 | Very high | 97.1 | Very high | 31 Ų | 31 | 69.8 Ų | 69.8 | 14% | 0.135 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -4.6 | -176.4 | -72.3 | 171.9 | 176.3 | -94.6 | 0 | 113.6 | D96 C98 D99 C105 S117 R125 | D96-K119 PolarHBondContact O-NZ 3.48Å; D96-K119 WeakPolarHBondContact OD2-CD 3.23Å; D96-K119 WeakPolarHBondContact OD2-CE 3.24Å; D96-K119 IonicContact OD2-NZ 3.81Å; C98-K119 HydrophobicContact CB-CB 4.04Å; C98-K119 HydrophobicContact CB-CG 4.01Å; C98-K119 VanDerWaalsContact SG-CA 3.54Å; C98-K119 PolarHBondContact SG-O 2.82Å; D99-K119 PolarHBondContact N-O 3.46Å; C105-K119 WeakPolarHBondContact O-CE 3.21Å; C105-K119 PolarHBondContact O-NZ 2.72Å; S117-K119 PolarHBondContact O-N 3.09Å; S117-K119 PolarHBondContact OG-N 2.76Å; K119-R125 VanDerWaalsContact CB-NH2 3.27Å; K119-R125 WeakPolarHBondContact O-CD 3.18Å; K119-R125 PolarHBondContact O-NE 3.46Å; K119-R125 VanDerWaalsContact O-NE 3.12Å |
| 120 | C | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.014 | 36% | 0.362 | C | S | . | . | trans | -85.4 | 138.7 | 174.2 | -56.6 | 0 | 0 | 0 | 0 | 109.6 | F109 C112 C115 R125 | F109-C120 WeakPolarHBondContact CB-O 2.97Å; F109-C120 WeakPolarHBondContact CD2-O 3.5Å; F109-C120 WeakPolarHBondContact CG-O 3.27Å; C112-C120 HydrophobicContact CB-CB 3.92Å; C115-C120 VanDerWaalsContact SG-SG 3.61Å; C120-R125 HydrophobicContact CB-CG 4.4Å; C120-R125 PolarHBondContact SG-N 3.5Å | ||
| 121 | G | 95.7 | Very high | 96.9 | Very high | 16 Ų | 16 | 60.8 Ų | 60.8 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | trans | -79.3 | -143.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D99 E123 | D99-G121 PolarHBondContact OD2-N 2.83Å; G121-E123 PolarHBondContact O-N 2.95Å | ||
| 122 | P | 95.4 | Very high | 96.8 | Very high | 122 Ų | 122 | 60.9 Ų | 60.9 | 79% | 0.792 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -60 | -32.9 | 179.7 | -24.4 | 34.5 | 0 | 0 | 0 | 113.9 | ||
| 123 | E | 97 | Very high | 96.6 | Very high | 92 Ų | 92 | 66.2 Ų | 66.2 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -111.4 | 137.4 | 175.2 | -164.7 | 179.1 | -175.7 | 0 | 0 | 110.8 | G121 R125 W130 | G121-E123 PolarHBondContact O-N 2.95Å; E123-R125 PolarHBondContact O-N 2.86Å; E123-W130 HydrophobicContact CB-CZ2 4.08Å; E123-W130 VanDerWaalsContact OE2-CZ2 3.24Å; E123-W130 WeakPolarHBondContact OE2-CZ2 3.36Å; E123-W130 PolarHBondContact OE2-NE1 3.09Å |
| 124 | C | 98 | Very high | 96.6 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 8% | 0.081 | 32% | 0.323 | C | S | . | . | trans | -59.5 | 135.3 | 176.9 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | C112 K114 C126 | C112-C124 VanDerWaalsContact SG-SG 3.68Å; K114-C124 HydrophobicContact CB-CB 4.14Å; K114-C124 HydrophobicContact CD-CB 3.8Å; K114-C124 HydrophobicContact CG-CB 4.35Å; C124-C126 VanDerWaalsContact C-N 3.32Å; C124-C126 PolarHBondContact O-N 3.27Å; C124-C126 PolarHBondContact SG-N 3.29Å; C124-C126 VanDerWaalsContact SG-N 3.45Å; C124-C126 VanDerWaalsContact SG-SG 3.66Å | ||
| 125 | R | 97.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | trans | -70.8 | -24.1 | 177.2 | -64.4 | 178.8 | -59.1 | 134.8 | 12.6 | 113.1 | Y84 G88 D96 L97 D99 S117 K119 C120 E123 N127 R128 | Y84-R125 WeakPolarHBondContact CB-O 3.44Å; Y84-R125 HydrophobicContact CD1-CB 4.07Å; Y84-R125 HydrophobicContact CE1-CB 4.24Å; Y84-R125 HydrophobicContact CE1-CG 4.31Å; Y84-R125 HydrophobicContact CG-CB 4.31Å; G88-R125 VanDerWaalsContact O-CZ 3.27Å; G88-R125 PolarHBondContact O-NH1 2.81Å; D96-R125 IonicContact OD1-CZ 3.23Å; D96-R125 VanDerWaalsContact OD1-CZ 3.23Å; D96-R125 IonicContact OD1-NH1 2.71Å; D96-R125 PolarHBondContact OD1-NH1 3.16Å; D96-R125 IonicContact OD1-NH2 2.78Å; D96-R125 PolarHBondContact OD1-NH2 2.79Å; L97-R125 PolarHBondContact O-NH1 3.08Å; D99-R125 WeakPolarHBondContact OD1-CD 3.42Å; D99-R125 WeakPolarHBondContact OD1-CG 3.23Å; S117-R125 PolarHBondContact OG-NH2 2.84Å; K119-R125 VanDerWaalsContact CB-NH2 3.27Å; K119-R125 WeakPolarHBondContact O-CD 3.18Å; K119-R125 PolarHBondContact O-NE 3.46Å; K119-R125 VanDerWaalsContact O-NE 3.12Å; C120-R125 HydrophobicContact CB-CG 4.4Å; C120-R125 PolarHBondContact SG-N 3.5Å; E123-R125 PolarHBondContact O-N 2.86Å; R125-N127 PolarHBondContact O-N 3.4Å; R125-N127 VanDerWaalsContact O-N 3.14Å; R125-R128 VanDerWaalsContact O-CB 3.27Å; R125-R128 WeakPolarHBondContact O-CB 3.42Å; R125-R128 PolarHBondContact O-N 3.49Å | ||
| 126 | C | 97.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 119.6 | -177.3 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | D85 K86 C115 C124 R128 | D85-C126 CarbonylContact O-C 3.51Å; D85-C126 WeakPolarHBondContact O-CA 3.14Å; K86-C126 WeakPolarHBondContact O-CB 3.44Å; K86-C126 PolarHBondContact O-SG 3.42Å; C115-C126 VanDerWaalsContact CB-SG 3.59Å; C124-C126 VanDerWaalsContact C-N 3.32Å; C124-C126 PolarHBondContact O-N 3.27Å; C124-C126 PolarHBondContact SG-N 3.29Å; C124-C126 VanDerWaalsContact SG-N 3.45Å; C124-C126 VanDerWaalsContact SG-SG 3.66Å; C126-R128 PolarHBondContact O-N 2.78Å |
| 127 | N | 96 | Very high | 96.4 | Very high | 69 Ų | 69 | 54.8 Ų | 54.8 | 37% | 0.369 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 17.6 | -178.6 | -53.8 | -61.4 | 0 | 0 | 0 | 115.2 | R82 Y84 D85 K86 R125 | R82-N127 PolarHBondContact NH1-OD1 3.02Å; Y84-N127 WeakPolarHBondContact O-CA 3.39Å; D85-N127 PolarHBondContact O-N 3.39Å; K86-N127 WeakPolarHBondContact CA-OD1 3.46Å; K86-N127 PolarHBondContact N-OD1 3.39Å; R125-N127 PolarHBondContact O-N 3.4Å; R125-N127 VanDerWaalsContact O-N 3.14Å |
| 128 | R | 95.2 | Very high | 96.3 | Very high | 8 Ų | 8 | 63.7 Ų | 63.7 | 3% | 0.03 | 33% | 0.331 | C | S | . | . | trans | -66.7 | 144.3 | -178.9 | -164.1 | 173.4 | 80.4 | -171 | -6.1 | 111.3 | K83 Y84 D99 R125 C126 W130 | K83-R128 PolarHBondContact N-O 2.71Å; Y84-R128 HydrophobicContact CD2-CB 3.96Å; Y84-R128 VanDerWaalsContact CE2-NH2 3.28Å; Y84-R128 PolarHBondContact N-O 3.07Å; Y84-R128 VanDerWaalsContact N-O 3.12Å; Y84-R128 PolarHBondContact OH-NH2 2.64Å; D99-R128 VanDerWaalsContact CG-NH1 3.28Å; D99-R128 IonicContact OD1-CZ 3.78Å; D99-R128 IonicContact OD1-NH1 2.79Å; D99-R128 PolarHBondContact OD1-NH1 2.89Å; D99-R128 VanDerWaalsContact OD1-NH1 3.09Å; D99-R128 IonicContact OD1-NH2 3.9Å; D99-R128 PolarHBondContact OD1-NH2 3.47Å; D99-R128 IonicContact OD2-CZ 3.51Å; D99-R128 IonicContact OD2-NH1 2.72Å; D99-R128 PolarHBondContact OD2-NH1 3.45Å; D99-R128 IonicContact OD2-NH2 3.34Å; R125-R128 VanDerWaalsContact O-CB 3.27Å; R125-R128 WeakPolarHBondContact O-CB 3.42Å; R125-R128 PolarHBondContact O-N 3.49Å; C126-R128 PolarHBondContact O-N 2.78Å; R128-W130 HydrophobicContact CG-CD2 4.06Å; R128-W130 HydrophobicContact CG-CG 4.09Å; R128-W130 HydrophobicContact CG-CZ2 4.38Å; R128-W130 PolarHBondContact NE-O 3.43Å; R128-W130 VanDerWaalsContact NH1-CH2 3.26Å | ||
| 129 | R | 94.6 | Very high | 96.2 | Very high | 133 Ų | 133 | 64.9 Ų | 64.9 | 50% | 0.502 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -98.7 | 4.2 | -175 | -68.1 | 165.6 | 81.9 | -159.2 | 16.2 | 114.1 | V80 R82 K83 | V80-R129 VanDerWaalsContact CB-CZ 3.48Å; V80-R129 HydrophobicContact CG1-CB 3.91Å; V80-R129 HydrophobicContact CG1-CG 4.28Å; V80-R129 VanDerWaalsContact CG1-NE 3.34Å; R82-R129 HydrophobicContact CG-CG 4.09Å; K83-R129 WeakPolarHBondContact CG-O 3.44Å |
| 130 | W | 94.8 | Very high | 96 | Very high | 85 Ų | 85 | 65.9 Ų | 65.9 | 32% | 0.322 | 36% | 0.364 | S | S | . | . | trans | -142.6 | 161.4 | -177.5 | 60.7 | -100.2 | 0 | 0 | 0 | 110.1 | Y84 E123 R128 Y132 | Y84-W130 WeakPolarHBondContact CE2-O 3.4Å; E123-W130 HydrophobicContact CB-CZ2 4.08Å; E123-W130 VanDerWaalsContact OE2-CZ2 3.24Å; E123-W130 WeakPolarHBondContact OE2-CZ2 3.36Å; E123-W130 PolarHBondContact OE2-NE1 3.09Å; R128-W130 HydrophobicContact CG-CD2 4.06Å; R128-W130 HydrophobicContact CG-CG 4.09Å; R128-W130 HydrophobicContact CG-CZ2 4.38Å; R128-W130 PolarHBondContact NE-O 3.43Å; R128-W130 VanDerWaalsContact NH1-CH2 3.26Å; W130-Y132 HydrophobicContact CH2-CD2 4.29Å; W130-Y132 AromaticContact CH2-CE1 3.94Å; W130-Y132 HydrophobicContact CH2-CE1 3.94Å; W130-Y132 AromaticContact CH2-CE2 3.63Å; W130-Y132 HydrophobicContact CH2-CE2 3.63Å; W130-Y132 AromaticContact CH2-CZ 3.43Å; W130-Y132 VanDerWaalsContact CH2-CZ 3.43Å; W130-Y132 AromaticContact CZ3-CD1 3.87Å; W130-Y132 HydrophobicContact CZ3-CD1 3.87Å; W130-Y132 AromaticContact CZ3-CD2 3.72Å; W130-Y132 HydrophobicContact CZ3-CD2 3.72Å; W130-Y132 AromaticContact CZ3-CE1 3.69Å; W130-Y132 HydrophobicContact CZ3-CE1 3.69Å; W130-Y132 AromaticContact CZ3-CE2 3.53Å; W130-Y132 HydrophobicContact CZ3-CE2 3.53Å; W130-Y132 AromaticContact CZ3-CG 3.88Å; W130-Y132 HydrophobicContact CZ3-CG 3.88Å; W130-Y132 AromaticContact CZ3-CZ 3.53Å | ||
| 131 | V | 95.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 72.1 Ų | 72.1 | 12% | 0.121 | 39% | 0.392 | C | S | . | . | trans | -132.1 | 153.1 | 171.9 | 66.2 | 0 | 0 | 0 | 0 | 108.4 | Y84 L90 L146 V150 | Y84-V131 HydrophobicContact CE2-CB 4.1Å; Y84-V131 HydrophobicContact CE2-CG2 4.19Å; Y84-V131 WeakPolarHBondContact OH-CG2 3.17Å; L90-V131 HydrophobicContact CD2-CG2 4.39Å; V131-L146 HydrophobicContact CG1-CD1 4.45Å; V131-L146 HydrophobicContact CG1-CD2 3.84Å; V131-L146 HydrophobicContact CG2-CD1 3.6Å; V131-L146 HydrophobicContact CG2-CD2 4.47Å; V131-V150 HydrophobicContact CG1-CB 4.33Å; V131-V150 HydrophobicContact CG1-CG1 4.26Å; V131-V150 HydrophobicContact CG1-CG2 4.37Å | ||
| 132 | Y | 95.9 | Very high | 95.9 | Very high | 80 Ų | 80 | 75.7 Ų | 75.7 | 31% | 0.314 | 41% | 0.411 | S | S | . | . | trans | -72.9 | 133.1 | 169.9 | -68.5 | -68.6 | 0 | 0 | 0 | 109.6 | D99 W130 | D99-Y132 HydrophobicContact CB-CD2 4.16Å; D99-Y132 HydrophobicContact CB-CE2 4.03Å; W130-Y132 HydrophobicContact CH2-CD2 4.29Å; W130-Y132 AromaticContact CH2-CE1 3.94Å; W130-Y132 HydrophobicContact CH2-CE1 3.94Å; W130-Y132 AromaticContact CH2-CE2 3.63Å; W130-Y132 HydrophobicContact CH2-CE2 3.63Å; W130-Y132 AromaticContact CH2-CZ 3.43Å; W130-Y132 VanDerWaalsContact CH2-CZ 3.43Å; W130-Y132 AromaticContact CZ3-CD1 3.87Å; W130-Y132 HydrophobicContact CZ3-CD1 3.87Å; W130-Y132 AromaticContact CZ3-CD2 3.72Å; W130-Y132 HydrophobicContact CZ3-CD2 3.72Å; W130-Y132 AromaticContact CZ3-CE1 3.69Å; W130-Y132 HydrophobicContact CZ3-CE1 3.69Å; W130-Y132 AromaticContact CZ3-CE2 3.53Å; W130-Y132 HydrophobicContact CZ3-CE2 3.53Å; W130-Y132 AromaticContact CZ3-CG 3.88Å; W130-Y132 HydrophobicContact CZ3-CG 3.88Å; W130-Y132 AromaticContact CZ3-CZ 3.53Å | ||
| 133 | D | 94.9 | Very high | 95.9 | Very high | 121 Ų | 121 | 75.5 Ų | 75.5 | 65% | 0.647 | 40% | 0.402 | S | S | * | . | trans | -81.4 | -42.1 | 175.9 | -62 | -35.1 | 0 | 0 | 0 | 111.4 | L146 | D133-L146 WeakPolarHBondContact O-CB 3.03Å; D133-L146 PolarHBondContact O-N 3.16Å | ||
| 134 | A | 96.1 | Very high | 95.8 | Very high | 42 Ų | 42 | 72.2 Ų | 72.2 | 35% | 0.347 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 158.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V136 V142 S144 T145 | A134-V136 HydrophobicContact CB-CG1 4.44Å; A134-V142 HydrophobicContact CB-CG1 4.37Å; A134-S144 CarbonylContact C-O 3.59Å; A134-S144 VanDerWaalsContact CA-O 3.23Å; A134-S144 WeakPolarHBondContact CA-O 3.46Å; A134-T145 HydrophobicContact CB-CG2 4.12Å |
| 135 | I | 95.2 | Very high | 95.7 | Very high | 56 Ų | 56 | 75.6 Ų | 75.6 | 29% | 0.287 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.6 | 168.5 | -58.5 | 174.7 | 0 | 0 | 0 | 106.5 | L101 I143 S144 | L101-I135 HydrophobicContact CD1-CG1 4.19Å; I135-I143 HydrophobicContact CB-CB 4.46Å; I135-I143 HydrophobicContact CG2-CB 4.26Å; I135-I143 HydrophobicContact CG2-CD1 4.11Å; I135-I143 PolarHBondContact O-N 3.42Å; I135-S144 PolarHBondContact N-O 2.99Å; I135-S144 PolarHBondContact O-N 3.03Å |
| 136 | V | 96.9 | Very high | 95.7 | Very high | 86 Ų | 86 | 77 Ų | 77 | 52% | 0.521 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 149.3 | -177.9 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | A134 E141 V142 | A134-V136 HydrophobicContact CB-CG1 4.44Å; V136-E141 CarbonylContact C-O 3.57Å; V136-E141 VanDerWaalsContact CA-O 3.23Å; V136-E141 WeakPolarHBondContact CA-O 3.41Å; V136-V142 HydrophobicContact CG1-CG2 4.07Å |
| 137 | T | 96.6 | Very high | 95.5 | Very high | 43 Ų | 43 | 77.3 Ų | 77.3 | 26% | 0.264 | 42% | 0.419 | S | S | . | . | trans | -73.4 | 168.7 | 170 | 63 | 0 | 0 | 0 | 0 | 110.9 | S139 G140 E141 I143 | T137-S139 PolarHBondContact O-N 3.35Å; T137-S139 PolarHBondContact OG1-N 3.03Å; T137-S139 PolarHBondContact OG1-OG 3.12Å; T137-G140 PolarHBondContact O-N 3.18Å; T137-G140 PolarHBondContact OG1-N 3.27Å; T137-E141 HydrophobicContact CG2-CB 4.2Å; T137-E141 PolarHBondContact N-O 3.14Å; T137-E141 WeakPolarHBondContact OG1-CB 3.15Å; T137-E141 PolarHBondContact OG1-N 2.66Å; T137-E141 PolarHBondContact OG1-O 3.3Å; T137-I143 HydrophobicContact CG2-CD1 3.7Å; T137-I143 HydrophobicContact CG2-CG1 3.87Å | ||
| 138 | E | 96.1 | Very high | 95.4 | Very high | 217 Ų | 217 | 76.7 Ų | 76.7 | 100% | 1.014 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -29 | 171.5 | -61.1 | -178.8 | 175 | 0 | 0 | 112.5 | G140 | E138-G140 VanDerWaalsContact C-N 3.27Å; E138-G140 PolarHBondContact O-N 3.4Å |
| 139 | S | 96.1 | Very high | 95.2 | Very high | 95 Ų | 95 | 83.4 Ų | 83.4 | 66% | 0.664 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -4 | 173.6 | 41 | 0 | 0 | 0 | 0 | 114 | T137 | T137-S139 PolarHBondContact O-N 3.35Å; T137-S139 PolarHBondContact OG1-N 3.03Å; T137-S139 PolarHBondContact OG1-OG 3.12Å |
| 140 | G | 93.7 | Very high | 95 | Very high | 52 Ų | 52 | 78.3 Ų | 78.3 | 54% | 0.536 | 43% | 0.433 | S | S | . | . | trans | 86.4 | 8.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | T137 E138 | T137-G140 PolarHBondContact O-N 3.18Å; T137-G140 PolarHBondContact OG1-N 3.27Å; E138-G140 VanDerWaalsContact C-N 3.27Å; E138-G140 PolarHBondContact O-N 3.4Å | ||
| 141 | E | 95.9 | Very high | 94.6 | Very high | 133 Ų | 133 | 78.2 Ų | 78.2 | 62% | 0.621 | 44% | 0.443 | S | S | * | . | trans | -75.9 | 133.4 | 175.7 | -60.2 | 179.4 | 147.3 | 0 | 0 | 110.2 | V136 T137 I143 | V136-E141 CarbonylContact C-O 3.57Å; V136-E141 VanDerWaalsContact CA-O 3.23Å; V136-E141 WeakPolarHBondContact CA-O 3.41Å; T137-E141 HydrophobicContact CG2-CB 4.2Å; T137-E141 PolarHBondContact N-O 3.14Å; T137-E141 WeakPolarHBondContact OG1-CB 3.15Å; T137-E141 PolarHBondContact OG1-N 2.66Å; T137-E141 PolarHBondContact OG1-O 3.3Å; E141-I143 PolarHBondContact O-N 3.24Å | ||
| 142 | V | 95.6 | Very high | 93.7 | Very high | 91 Ų | 91 | 85.9 Ų | 85.9 | 55% | 0.552 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 115 | -177.7 | -175.4 | 0 | 0 | 0 | 0 | 110 | A134 V136 T145 | A134-V142 HydrophobicContact CB-CG1 4.37Å; V136-V142 HydrophobicContact CG1-CG2 4.07Å; V142-T145 HydrophobicContact CG1-CG2 3.35Å |
| 143 | I | 94.7 | Very high | 93.6 | Very high | 118 Ų | 118 | 86.2 Ų | 86.2 | 61% | 0.605 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -44.9 | 177.9 | -61.6 | 167.8 | 0 | 0 | 0 | 110.4 | I135 T137 E141 | I135-I143 HydrophobicContact CB-CB 4.46Å; I135-I143 HydrophobicContact CG2-CB 4.26Å; I135-I143 HydrophobicContact CG2-CD1 4.11Å; I135-I143 PolarHBondContact O-N 3.42Å; T137-I143 HydrophobicContact CG2-CD1 3.7Å; T137-I143 HydrophobicContact CG2-CG1 3.87Å; E141-I143 PolarHBondContact O-N 3.24Å |
| 144 | S | 95.4 | Very high | 93.5 | Very high | 23 Ų | 23 | 84.4 Ų | 84.4 | 16% | 0.161 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 148.1 | -176.7 | -170.1 | 0 | 0 | 0 | 0 | 110.2 | C100 L101 A134 I135 | C100-S144 PolarHBondContact O-OG 2.94Å; L101-S144 WeakPolarHBondContact CB-OG 3.18Å; A134-S144 CarbonylContact C-O 3.59Å; A134-S144 VanDerWaalsContact CA-O 3.23Å; A134-S144 WeakPolarHBondContact CA-O 3.46Å; I135-S144 PolarHBondContact N-O 2.99Å; I135-S144 PolarHBondContact O-N 3.03Å |
| 145 | T | 96.6 | Very high | 93.4 | Very high | 83 Ų | 83 | 86.7 Ų | 86.7 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 151.5 | 179.8 | 53.5 | 0 | 0 | 0 | 0 | 110.1 | A134 V142 P147 | A134-T145 HydrophobicContact CB-CG2 4.12Å; V142-T145 HydrophobicContact CG1-CG2 3.35Å; T145-P147 WeakPolarHBondContact O-CD 3.26Å; T145-P147 VanDerWaalsContact O-N 3.12Å |
| 146 | L | 95.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 88.5 Ų | 88.5 | 16% | 0.162 | 50% | 0.504 | C | S | . | . | trans | -57.3 | 116.2 | 176.8 | -177.7 | 66.2 | 0 | 0 | 0 | 109.2 | L97 L101 V131 D133 F148 V150 | L97-L146 HydrophobicContact CD2-CD1 3.71Å; L101-L146 HydrophobicContact CD2-CD1 4.02Å; V131-L146 HydrophobicContact CG1-CD1 4.45Å; V131-L146 HydrophobicContact CG1-CD2 3.84Å; V131-L146 HydrophobicContact CG2-CD1 3.6Å; V131-L146 HydrophobicContact CG2-CD2 4.47Å; D133-L146 WeakPolarHBondContact O-CB 3.03Å; D133-L146 PolarHBondContact O-N 3.16Å; L146-F148 WeakPolarHBondContact CD2-O 3.49Å; L146-F148 WeakPolarHBondContact CG-O 3.28Å; L146-F148 PolarHBondContact O-N 3.37Å; L146-F148 VanDerWaalsContact O-N 3.13Å; L146-V150 HydrophobicContact CD1-CG2 4.42Å; L146-V150 HydrophobicContact CD2-CB 4.18Å; L146-V150 HydrophobicContact CD2-CG2 3.76Å; L146-V150 HydrophobicContact CG-CG2 4.45Å | ||
| 147 | P | 94.6 | Very high | 93.1 | Very high | 38 Ų | 38 | 88.7 Ų | 88.7 | 25% | 0.247 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -77.7 | 1.1 | -172.5 | 26.9 | -33.2 | 0 | 0 | 0 | 114.4 | L97 K103 T145 | L97-P147 HydrophobicContact CD1-CG 3.91Å; L97-P147 HydrophobicContact CD2-CG 4.05Å; K103-P147 HydrophobicContact CD-CB 4.22Å; K103-P147 HydrophobicContact CG-CB 3.96Å; K103-P147 HydrophobicContact CG-CG 3.94Å; T145-P147 WeakPolarHBondContact O-CD 3.26Å; T145-P147 VanDerWaalsContact O-N 3.12Å |
| 148 | F | 93 | Very high | 92.8 | Very high | 55 Ų | 55 | 91.7 Ų | 91.7 | 24% | 0.241 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -132.4 | 149.7 | -173 | -50.5 | -60.5 | 0 | 0 | 0 | 110.6 | L90 N93 V95 L97 L146 V150 | L90-F148 HydrophobicContact CD1-CD2 3.71Å; L90-F148 HydrophobicContact CD1-CE2 4.13Å; N93-F148 WeakPolarHBondContact ND2-CD1 3.17Å; N93-F148 WeakPolarHBondContact ND2-CD2 3.37Å; N93-F148 VanDerWaalsContact ND2-CG 3.29Å; N93-F148 WeakPolarHBondContact ND2-CG 3.41Å; V95-F148 HydrophobicContact CB-CE2 4.1Å; V95-F148 HydrophobicContact CB-CZ 4.21Å; V95-F148 HydrophobicContact CG1-CE2 3.84Å; V95-F148 HydrophobicContact CG1-CZ 3.85Å; V95-F148 HydrophobicContact CG2-CE2 4.41Å; V95-F148 HydrophobicContact CG2-CZ 4.08Å; L97-F148 HydrophobicContact CB-CE2 4.3Å; L97-F148 HydrophobicContact CD1-CE2 4.14Å; L97-F148 HydrophobicContact CD2-CD2 4.04Å; L97-F148 HydrophobicContact CD2-CE2 4Å; L97-F148 HydrophobicContact CG-CE2 4.37Å; L146-F148 WeakPolarHBondContact CD2-O 3.49Å; L146-F148 WeakPolarHBondContact CG-O 3.28Å; L146-F148 PolarHBondContact O-N 3.37Å; L146-F148 VanDerWaalsContact O-N 3.13Å; F148-V150 PolarHBondContact O-N 2.77Å |
| 149 | N | 92 | Very high | 92.6 | Very high | 150 Ų | 150 | 82.8 Ų | 82.8 | 80% | 0.802 | 48% | 0.483 | S | S | * | . | trans | -77 | 114.2 | 165.5 | -170 | -90.2 | 0 | 0 | 0 | 108.8 | ||||
| 150 | V | 89.4 | Confident | 92.3 | Very high | 25 Ų | 25 | 81.8 Ų | 81.8 | 15% | 0.152 | 47% | 0.469 | C | S | . | . | trans | -106.8 | 114.1 | 177.5 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | K83 V131 L146 F148 | K83-V150 HydrophobicContact CD-CG1 3.82Å; K83-V150 HydrophobicContact CG-CG1 4.45Å; V131-V150 HydrophobicContact CG1-CB 4.33Å; V131-V150 HydrophobicContact CG1-CG1 4.26Å; V131-V150 HydrophobicContact CG1-CG2 4.37Å; L146-V150 HydrophobicContact CD1-CG2 4.42Å; L146-V150 HydrophobicContact CD2-CB 4.18Å; L146-V150 HydrophobicContact CD2-CG2 3.76Å; L146-V150 HydrophobicContact CG-CG2 4.45Å; F148-V150 PolarHBondContact O-N 2.77Å | ||
| 151 | P | 85.8 | Confident | 92.2 | Very high | 83 Ų | 83 | 84.3 Ų | 84.3 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | trans | -67.9 | 149.9 | -179.2 | 27.2 | -33.5 | 0 | 0 | 0 | 111.1 | K83 | K83-P151 PolarHBondContact NZ-O 3.39Š| ||
| 152 | D | 77.9 | Confident | 91.9 | Very high | 182 Ų | 182 | 79.9 Ų | 79.9 | 97% | 0.973 | 45% | 0.449 | S | S | * | . | trans | -67.5 | 0 | -179.9 | -77.7 | -36.2 | 0 | 0 | 0 | 115.2 | K83 | K83-D152 PolarHBondContact NZ-OXT 3.07Š|
Retrieved 152 of 152 residues in 60 ms
(Link to these results)