| 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 | 50.1 | Low | 55 | Low | 244 Ų | 244 | 145.5 Ų | 145.5 | 100% | 1.202 | 83% | 0.827 | S | S | * | * | 0 | 96.7 | 0 | -73.5 | 169.7 | 93.1 | 0 | 0 | 105.5 | |||||
| 2 | D | 43.3 | Very low | 55 | Low | 161 Ų | 161 | 141.5 Ų | 141.5 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -71.6 | 164.1 | 176.9 | -90.6 | -74.6 | 0 | 0 | 0 | 112.2 | ||||
| 3 | S | 51.8 | Low | 54.9 | Low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | 94.9 | 104.9 | 151.9 | -70.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 4 | A | 50.5 | Low | 54.1 | Low | 81 Ų | 81 | 140.4 Ų | 140.4 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | 101.5 | 92 | 117.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 5 | G | 59.9 | Low | 54 | Low | 78 Ų | 78 | 145.7 Ų | 145.7 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -56.3 | 132.9 | 144.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | Q | 62.7 | Low | 53.4 | Low | 168 Ų | 168 | 140.9 Ų | 140.9 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -106.4 | 99 | 170.1 | -75.1 | -178.5 | -13.4 | 0 | 0 | 107.9 | ||||
| 7 | D | 58 | Low | 52.9 | Low | 164 Ų | 164 | 141.8 Ų | 141.8 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -60.7 | 120.6 | 153.3 | -74.5 | -69.7 | 0 | 0 | 0 | 108.8 | ||||
| 8 | I | 64.1 | Low | 52.5 | Low | 148 Ų | 148 | 142 Ų | 142 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -135.4 | 87.8 | 168.1 | 41.1 | 172.2 | 0 | 0 | 0 | 110.9 | ||||
| 9 | N | 53.5 | Low | 52.2 | Low | 140 Ų | 140 | 140.8 Ų | 140.8 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | 57.6 | 95.1 | 128.2 | -153.4 | -78.1 | 0 | 0 | 0 | 117.8 | N11 | N9-N11 VanDerWaalsContact C-N 3.26Å; N9-N11 PolarHBondContact O-N 3.45Å; N9-N11 WeakPolarHBondContact OD1-CB 3.47Å; N9-N11 PolarHBondContact OD1-N 3.31Å | |||
| 10 | L | 59.5 | Low | 51.7 | Low | 173 Ų | 173 | 140.9 Ų | 140.9 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -76.4 | 74 | 162.3 | -63.2 | 174 | 0 | 0 | 0 | 110.1 | S12 | L10-S12 PolarHBondContact O-N 3.01Š| ||
| 11 | N | 51.7 | Low | 51.2 | Low | 129 Ų | 129 | 139.3 Ų | 139.3 | 69% | 0.69 | 81% | 0.807 | S | S | * | * | trans | -69.2 | 100.5 | 165.5 | -175.4 | 41.2 | 0 | 0 | 0 | 108.9 | N9 | N9-N11 VanDerWaalsContact C-N 3.26Å; N9-N11 PolarHBondContact O-N 3.45Å; N9-N11 WeakPolarHBondContact OD1-CB 3.47Å; N9-N11 PolarHBondContact OD1-N 3.31Å | ||
| 12 | S | 55.2 | Low | 51.3 | Low | 98 Ų | 98 | 136 Ų | 136 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | -83.1 | 134.6 | 167.6 | -66.5 | 0 | 0 | 0 | 0 | 110.3 | L10 | L10-S12 PolarHBondContact O-N 3.01Š| ||
| 13 | P | 53.7 | Low | 51.9 | Low | 114 Ų | 114 | 134.1 Ų | 134.1 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -105.9 | 99.6 | 155 | -4.3 | 25 | 0 | 0 | 0 | 111.1 | ||||
| 14 | N | 43.2 | Very low | 51.5 | Low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 37.9 | 122.3 | 140.9 | -63.8 | -48.7 | 0 | 0 | 0 | 121.5 | ||||
| 15 | K | 52.9 | Low | 51.4 | Low | 220 Ų | 220 | 137.3 Ų | 137.3 | 96% | 0.957 | 79% | 0.786 | S | S | * | * | trans | -75.1 | 130 | 142.7 | -112.8 | -167.9 | 178.5 | -160.4 | 0 | 109.3 | ||||
| 16 | G | 44.1 | Very low | 51.5 | Low | 70 Ų | 70 | 139.3 Ų | 139.3 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 169.2 | 102 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 17 | L | 44.5 | Very low | 51.1 | Low | 155 Ų | 155 | 137.2 Ų | 137.2 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | 84.5 | 98.7 | 76.6 | -161.6 | 138.7 | 0 | 0 | 0 | 112.2 | |||||
| 18 | L | 46.6 | Very low | 50.4 | Low | 146 Ų | 146 | 135.9 Ų | 135.9 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | 66 | 153.1 | 144.3 | -59 | 174.8 | 0 | 0 | 0 | 121 | ||||
| 19 | S | 45.8 | Very low | 49.3 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | 92.5 | 131.3 | 167.8 | -37.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 20 | D | 42.9 | Very low | 48.5 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | cis | -179.9 | 121.3 | 5.8 | 172.1 | 28.7 | 0 | 0 | 0 | 104 | ||||
| 21 | S | 42 | Very low | 48 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -160.6 | 88.4 | 161.3 | -155.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 22 | M | 51.1 | Low | 47.5 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 86% | 0.862 | 78% | 0.776 | S | S | * | * | trans | -65.2 | 120.3 | 156.5 | -67.3 | 179.6 | 170.7 | 0 | 0 | 108.9 | ||||
| 23 | T | 56.8 | Low | 47.2 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -130.1 | 86.4 | 154.3 | 58.4 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 24 | D | 42.8 | Very low | 46.6 | Very low | 149 Ų | 149 | 134 Ų | 134 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | 64.1 | 117.7 | 96.1 | -164.9 | 48 | 0 | 0 | 0 | 112.8 | |||||
| 25 | V | 49.4 | Very low | 46.8 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -93 | 130.1 | -177.5 | 171.2 | 0 | 0 | 0 | 0 | 107.5 | V27 | V25-V27 HydrophobicContact CG1-CG2 4.35Š| ||
| 26 | P | 60.7 | Low | 46.3 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -104.7 | 106.8 | 148.3 | 30.5 | -23.2 | 0 | 0 | 0 | 109.3 | ||||
| 27 | V | 55.4 | Low | 46.2 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | -68.3 | 121.7 | 149.7 | 139.9 | 0 | 0 | 0 | 0 | 105.7 | V25 | V25-V27 HydrophobicContact CG1-CG2 4.35Š| ||
| 28 | D | 42.9 | Very low | 46.4 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | 171.9 | 145.5 | 104.8 | -156.8 | 35 | 0 | 0 | 0 | 114.7 | |||||
| 29 | T | 41.5 | Very low | 46.3 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 66.7 | 112.8 | 148 | -68.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 30 | G | 36.4 | Very low | 46.4 | Very low | 69 Ų | 69 | 127.1 Ų | 127.1 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | 116 | 111.9 | 123.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | A32 | G30-A32 PolarHBondContact O-N 3.36Š| |||
| 31 | V | 47.5 | Very low | 46.8 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 95% | 0.945 | 77% | 0.765 | S | S | * | * | trans | -44.4 | 119.4 | 170.8 | 172.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 32 | A | 42.1 | Very low | 48.1 | Very low | 89 Ų | 89 | 124.6 Ų | 124.6 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | -155.8 | 121.3 | 146.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G30 R34 | G30-A32 PolarHBondContact O-N 3.36Å; A32-R34 PolarHBondContact O-N 3.12Å; A32-R34 VanDerWaalsContact O-N 3.15Å | ||
| 33 | A | 49.5 | Very low | 49.2 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | trans | -48 | 117 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 34 | R | 41.3 | Very low | 50.2 | Low | 230 Ų | 230 | 121.6 Ų | 121.6 | 87% | 0.868 | 74% | 0.74 | S | S | * | * | trans | -155.7 | 112.5 | 152.5 | -109 | 174.1 | 175.3 | -178.6 | -2.7 | 107.6 | A32 P36 | A32-R34 PolarHBondContact O-N 3.12Å; A32-R34 VanDerWaalsContact O-N 3.15Å; R34-P36 WeakPolarHBondContact O-CD 3.49Å | ||
| 35 | T | 47.6 | Very low | 52.1 | Low | 139 Ų | 139 | 119 Ų | 119 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | trans | -58.3 | 124 | 148.4 | 42.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 36 | P | 41.8 | Very low | 53.5 | Low | 112 Ų | 112 | 117.4 Ų | 117.4 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -102.1 | 106.6 | 138.7 | 32.8 | -21.9 | 0 | 0 | 0 | 105.5 | R34 | R34-P36 WeakPolarHBondContact O-CD 3.49Š| ||
| 37 | A | 40.9 | Very low | 54.5 | Low | 83 Ų | 83 | 118.1 Ų | 118.1 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | 45.2 | 89.8 | 99.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E39 | A37-E39 PolarHBondContact O-N 2.98Å; A37-E39 VanDerWaalsContact O-N 3.16Å | |||
| 38 | V | 49.3 | Very low | 56 | Low | 136 Ų | 136 | 118.9 Ų | 118.9 | 82% | 0.824 | 70% | 0.697 | S | S | * | * | trans | 6.2 | 101.4 | 141.4 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | G40 | V38-G40 PolarHBondContact O-N 2.87Š| ||
| 39 | E | 44.3 | Very low | 58.3 | Low | 197 Ų | 197 | 116.8 Ų | 116.8 | 92% | 0.921 | 69% | 0.685 | S | S | * | * | trans | -60.6 | 93.6 | 158.1 | -82.8 | 152.4 | 151.9 | 0 | 0 | 106.3 | A37 | A37-E39 PolarHBondContact O-N 2.98Å; A37-E39 VanDerWaalsContact O-N 3.16Å | ||
| 40 | G | 47.8 | Very low | 60.7 | Low | 54 Ų | 54 | 118 Ų | 118 | 56% | 0.557 | 68% | 0.677 | S | S | * | * | trans | -64 | 138.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | V38 T42 | V38-G40 PolarHBondContact O-N 2.87Å; G40-T42 PolarHBondContact O-N 3.11Å | ||
| 41 | L | 51.8 | Low | 63.5 | Low | 112 Ų | 112 | 117.6 Ų | 117.6 | 59% | 0.586 | 67% | 0.667 | S | S | * | * | trans | -40.5 | 136.2 | 164.7 | -68.2 | 155.3 | 0 | 0 | 0 | 108.9 | E43 L49 | L41-E43 PolarHBondContact O-N 2.69Å; L41-L49 HydrophobicContact CD1-CD1 4.25Å | ||
| 42 | T | 70.3 | Confident | 65.8 | Low | 83 Ų | 83 | 115.7 Ų | 115.7 | 51% | 0.509 | 65% | 0.648 | S | S | . | * | trans | -58.5 | 145 | -179.4 | 58.9 | 0 | 0 | 0 | 0 | 109.3 | G40 A44 E45 E46 | G40-T42 PolarHBondContact O-N 3.11Å; T42-A44 PolarHBondContact O-N 2.97Å; T42-E45 PolarHBondContact N-OE2 3.04Å; T42-E45 WeakPolarHBondContact O-CB 3.24Å; T42-E45 PolarHBondContact O-N 3.42Å; T42-E45 VanDerWaalsContact OG1-CG 3.24Å; T42-E45 WeakPolarHBondContact OG1-CG 3.31Å; T42-E45 PolarHBondContact OG1-OE2 3.06Å; T42-E46 PolarHBondContact O-N 3.49Å; T42-E46 VanDerWaalsContact O-N 3.11Å | ||
| 43 | E | 72.8 | Confident | 68.3 | Low | 166 Ų | 166 | 116.4 Ų | 116.4 | 78% | 0.776 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -51.4 | -33.1 | -172.7 | -173.2 | 179.2 | -165.7 | 0 | 0 | 112.8 | L41 E47 | L41-E43 PolarHBondContact O-N 2.69Å; E43-E47 PolarHBondContact O-N 2.77Å; E43-E47 VanDerWaalsContact O-N 3.12Å |
| 44 | A | 77.8 | Confident | 70.5 | Confident | 67 Ų | 67 | 114.8 Ų | 114.8 | 55% | 0.554 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.1 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T42 E46 E47 E48 | T42-A44 PolarHBondContact O-N 2.97Å; A44-E46 VanDerWaalsContact C-N 3.33Å; A44-E47 PolarHBondContact O-N 3.05Å; A44-E48 PolarHBondContact O-N 2.62Å |
| 45 | E | 83 | Confident | 73.2 | Confident | 94 Ų | 94 | 109.7 Ų | 109.7 | 44% | 0.439 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.3 | -36 | 176.3 | -68.6 | 166.4 | 145.5 | 0 | 0 | 110.9 | T42 E48 L49 | T42-E45 PolarHBondContact N-OE2 3.04Å; T42-E45 WeakPolarHBondContact O-CB 3.24Å; T42-E45 PolarHBondContact O-N 3.42Å; T42-E45 VanDerWaalsContact OG1-CG 3.24Å; T42-E45 WeakPolarHBondContact OG1-CG 3.31Å; T42-E45 PolarHBondContact OG1-OE2 3.06Å; E45-E48 PolarHBondContact O-N 2.88Å; E45-L49 WeakPolarHBondContact O-CG 3.37Å; E45-L49 PolarHBondContact O-N 3.16Å |
| 46 | E | 78.9 | Confident | 75.7 | Confident | 82 Ų | 82 | 106 Ų | 106 | 38% | 0.383 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.1 | -38.8 | 174.6 | -164.7 | -173.6 | -176.7 | 0 | 0 | 111.6 | T42 A44 R50 | T42-E46 PolarHBondContact O-N 3.49Å; T42-E46 VanDerWaalsContact O-N 3.11Å; A44-E46 VanDerWaalsContact C-N 3.33Å; E46-R50 WeakPolarHBondContact O-CG 3.28Å; E46-R50 PolarHBondContact O-N 3.39Å; E46-R50 VanDerWaalsContact O-N 3.1Å; E46-R50 IonicContact OE1-CZ 3.31Å; E46-R50 VanDerWaalsContact OE1-CZ 3.31Å; E46-R50 IonicContact OE1-NE 3.99Å; E46-R50 IonicContact OE1-NH1 3.86Å; E46-R50 IonicContact OE1-NH2 2.62Å; E46-R50 PolarHBondContact OE1-NH2 3.05Å; E46-R50 IonicContact OE2-CZ 3.96Å; E46-R50 IonicContact OE2-NH1 3.76Å; E46-R50 IonicContact OE2-NH2 3.55Å |
| 47 | E | 82.6 | Confident | 78.3 | Confident | 134 Ų | 134 | 105.7 Ų | 105.7 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.6 | -40.5 | 175.4 | -169 | 174 | -167.1 | 0 | 0 | 112.3 | E43 A44 R50 A51 | E43-E47 PolarHBondContact O-N 2.77Å; E43-E47 VanDerWaalsContact O-N 3.12Å; A44-E47 PolarHBondContact O-N 3.05Å; E47-R50 PolarHBondContact O-N 3.25Å; E47-A51 PolarHBondContact O-N 2.84Å |
| 48 | E | 85.5 | Confident | 81 | Confident | 140 Ų | 140 | 107.6 Ų | 107.6 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.6 | -44 | 175.4 | -172.6 | 172 | -171.1 | 0 | 0 | 111.8 | A44 E45 R50 A51 E52 | A44-E48 PolarHBondContact O-N 2.62Å; E45-E48 PolarHBondContact O-N 2.88Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 2.97Å; E48-A51 PolarHBondContact O-N 3.16Å; E48-A51 VanDerWaalsContact O-N 3.16Å; E48-E52 PolarHBondContact O-N 3.33Å |
| 49 | L | 91.8 | Very high | 83.4 | Confident | 92 Ų | 92 | 105.8 Ų | 105.8 | 48% | 0.482 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.7 | -36 | 175.6 | -72.9 | 171.4 | 0 | 0 | 0 | 112.4 | L41 E45 L53 | L41-L49 HydrophobicContact CD1-CD1 4.25Å; E45-L49 WeakPolarHBondContact O-CG 3.37Å; E45-L49 PolarHBondContact O-N 3.16Å; L49-L53 VanDerWaalsContact O-CB 3.28Å; L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 PolarHBondContact O-N 3Å |
| 50 | R | 90.8 | Very high | 85.9 | Confident | 139 Ų | 139 | 99.5 Ų | 99.5 | 53% | 0.525 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.1 | -39.1 | 174 | -73.9 | 178.1 | -176.4 | 132.8 | -2.8 | 111.9 | E46 E47 E48 T54 | E46-R50 WeakPolarHBondContact O-CG 3.28Å; E46-R50 PolarHBondContact O-N 3.39Å; E46-R50 VanDerWaalsContact O-N 3.1Å; E46-R50 IonicContact OE1-CZ 3.31Å; E46-R50 VanDerWaalsContact OE1-CZ 3.31Å; E46-R50 IonicContact OE1-NE 3.99Å; E46-R50 IonicContact OE1-NH1 3.86Å; E46-R50 IonicContact OE1-NH2 2.62Å; E46-R50 PolarHBondContact OE1-NH2 3.05Å; E46-R50 IonicContact OE2-CZ 3.96Å; E46-R50 IonicContact OE2-NH1 3.76Å; E46-R50 IonicContact OE2-NH2 3.55Å; E47-R50 PolarHBondContact O-N 3.25Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 2.97Å; R50-T54 PolarHBondContact O-N 3.1Å; R50-T54 PolarHBondContact O-OG1 2.92Å |
| 51 | A | 95.3 | Very high | 88.3 | Confident | 62 Ų | 62 | 100.3 Ų | 100.3 | 51% | 0.512 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E47 E48 T54 K55 | E47-A51 PolarHBondContact O-N 2.84Å; E48-A51 PolarHBondContact O-N 3.16Å; E48-A51 VanDerWaalsContact O-N 3.16Å; A51-T54 PolarHBondContact O-N 2.85Å; A51-K55 WeakPolarHBondContact O-CB 3.41Å; A51-K55 PolarHBondContact O-N 3.15Å |
| 52 | E | 96.6 | Very high | 90.6 | Very high | 115 Ų | 115 | 98.5 Ų | 98.5 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 176.5 | -171.7 | 174.2 | -166.4 | 0 | 0 | 111.7 | E48 T54 K55 V56 | E48-E52 PolarHBondContact O-N 3.33Å; E52-T54 VanDerWaalsContact C-N 3.33Å; E52-T54 PolarHBondContact O-N 2.86Å; E52-K55 PolarHBondContact O-N 3.02Å; E52-V56 HydrophobicContact CG-CG2 4.45Å; E52-V56 WeakPolarHBondContact O-CG2 3.33Å; E52-V56 PolarHBondContact O-N 3.26Å |
| 53 | L | 94.5 | Very high | 91.9 | Very high | 105 Ų | 105 | 100 Ų | 100 | 55% | 0.55 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.5 | -49.5 | 174.1 | -173.5 | 77 | 0 | 0 | 0 | 110.9 | L49 K55 V56 E57 | L49-L53 VanDerWaalsContact O-CB 3.28Å; L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 PolarHBondContact O-N 3Å; L53-K55 VanDerWaalsContact C-N 3.31Å; L53-K55 PolarHBondContact O-N 3.5Å; L53-V56 PolarHBondContact O-N 3.31Å; L53-E57 WeakPolarHBondContact O-CG 3.42Å; L53-E57 PolarHBondContact O-N 3.44Å |
| 54 | T | 96.8 | Very high | 93.1 | Very high | 68 Ų | 68 | 100 Ų | 100 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 179.3 | -54.3 | 0 | 0 | 0 | 0 | 110.9 | R50 A51 E52 E57 E58 | R50-T54 PolarHBondContact O-N 3.1Å; R50-T54 PolarHBondContact O-OG1 2.92Å; A51-T54 PolarHBondContact O-N 2.85Å; E52-T54 VanDerWaalsContact C-N 3.33Å; E52-T54 PolarHBondContact O-N 2.86Å; T54-E57 WeakPolarHBondContact O-CB 3.17Å; T54-E57 PolarHBondContact O-N 3.28Å; T54-E58 WeakPolarHBondContact O-CG 3.37Å; T54-E58 PolarHBondContact O-N 2.91Å |
| 55 | K | 98 | Very high | 94.1 | Very high | 124 Ų | 124 | 102.6 Ų | 102.6 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 177 | -176.5 | -174.2 | 173.8 | -167 | 0 | 112.3 | A51 E52 L53 E57 E58 E59 | A51-K55 WeakPolarHBondContact O-CB 3.41Å; A51-K55 PolarHBondContact O-N 3.15Å; E52-K55 PolarHBondContact O-N 3.02Å; L53-K55 VanDerWaalsContact C-N 3.31Å; L53-K55 PolarHBondContact O-N 3.5Å; K55-E57 VanDerWaalsContact C-N 3.31Å; K55-E57 PolarHBondContact O-N 3.34Å; K55-E58 WeakPolarHBondContact O-CB 3.49Å; K55-E58 PolarHBondContact O-N 3.47Å; K55-E59 VanDerWaalsContact CE-OE1 3.31Å; K55-E59 WeakPolarHBondContact CE-OE1 3.49Å; K55-E59 WeakPolarHBondContact O-CG 3.39Å; K55-E59 PolarHBondContact O-N 3.39Å |
| 56 | V | 98.4 | Very high | 94.9 | Very high | 62 Ų | 62 | 101.7 Ų | 101.7 | 38% | 0.376 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 177.4 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | E52 L53 E58 E59 I60 | E52-V56 HydrophobicContact CG-CG2 4.45Å; E52-V56 WeakPolarHBondContact O-CG2 3.33Å; E52-V56 PolarHBondContact O-N 3.26Å; L53-V56 PolarHBondContact O-N 3.31Å; V56-E58 PolarHBondContact O-N 2.9Å; V56-E59 PolarHBondContact O-N 3.24Å; V56-I60 HydrophobicContact CG1-CD1 3.88Å; V56-I60 HydrophobicContact CG1-CG1 4.37Å; V56-I60 WeakPolarHBondContact O-CB 3.42Å; V56-I60 WeakPolarHBondContact O-CG1 3.5Å; V56-I60 PolarHBondContact O-N 3.24Å |
| 57 | E | 97.8 | Very high | 95.8 | Very high | 105 Ų | 105 | 102.7 Ų | 102.7 | 49% | 0.491 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 174.3 | -73.1 | 178.8 | 157.9 | 0 | 0 | 111.9 | L53 T54 K55 I60 V61 | L53-E57 WeakPolarHBondContact O-CG 3.42Å; L53-E57 PolarHBondContact O-N 3.44Å; T54-E57 WeakPolarHBondContact O-CB 3.17Å; T54-E57 PolarHBondContact O-N 3.28Å; K55-E57 VanDerWaalsContact C-N 3.31Å; K55-E57 PolarHBondContact O-N 3.34Å; E57-I60 PolarHBondContact O-N 3.33Å; E57-V61 WeakPolarHBondContact O-CG2 3.38Å; E57-V61 PolarHBondContact O-N 3.29Å |
| 58 | E | 98.1 | Very high | 96.6 | Very high | 122 Ų | 122 | 97.6 Ų | 97.6 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.2 | -42.2 | 174.2 | -70.8 | 176.6 | 177.2 | 0 | 0 | 112.7 | T54 K55 V56 I60 V61 T62 | T54-E58 WeakPolarHBondContact O-CG 3.37Å; T54-E58 PolarHBondContact O-N 2.91Å; K55-E58 WeakPolarHBondContact O-CB 3.49Å; K55-E58 PolarHBondContact O-N 3.47Å; V56-E58 PolarHBondContact O-N 2.9Å; E58-I60 VanDerWaalsContact C-N 3.35Å; E58-V61 PolarHBondContact O-N 3.22Å; E58-T62 WeakPolarHBondContact O-CB 3.46Å; E58-T62 PolarHBondContact O-N 2.87Å; E58-T62 PolarHBondContact O-OG1 3.43Å |
| 59 | E | 98.1 | Very high | 97.2 | Very high | 98 Ų | 98 | 93.1 Ų | 93.1 | 46% | 0.458 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.1 | -74.6 | -179.8 | -168.2 | 0 | 0 | 111 | K55 V56 V61 T62 L63 | K55-E59 VanDerWaalsContact CE-OE1 3.31Å; K55-E59 WeakPolarHBondContact CE-OE1 3.49Å; K55-E59 WeakPolarHBondContact O-CG 3.39Å; K55-E59 PolarHBondContact O-N 3.39Å; V56-E59 PolarHBondContact O-N 3.24Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 3.45Å; E59-T62 PolarHBondContact O-N 2.87Å; E59-L63 WeakPolarHBondContact O-CB 3.23Å; E59-L63 VanDerWaalsContact O-CG 3.23Å; E59-L63 WeakPolarHBondContact O-CG 3.35Å; E59-L63 PolarHBondContact O-N 2.78Å |
| 60 | I | 98.2 | Very high | 97.4 | Very high | 66 Ų | 66 | 95.4 Ų | 95.4 | 34% | 0.338 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 175 | -72 | 165.6 | 0 | 0 | 0 | 110.7 | V56 E57 E58 T62 L63 R64 | V56-I60 HydrophobicContact CG1-CD1 3.88Å; V56-I60 HydrophobicContact CG1-CG1 4.37Å; V56-I60 WeakPolarHBondContact O-CB 3.42Å; V56-I60 WeakPolarHBondContact O-CG1 3.5Å; V56-I60 PolarHBondContact O-N 3.24Å; E57-I60 PolarHBondContact O-N 3.33Å; E58-I60 VanDerWaalsContact C-N 3.35Å; I60-T62 VanDerWaalsContact C-N 3.34Å; I60-L63 PolarHBondContact O-N 3.42Å; I60-R64 VanDerWaalsContact CG2-NH1 3.34Å; I60-R64 VanDerWaalsContact O-CG 3.31Å; I60-R64 WeakPolarHBondContact O-CG 3.34Å; I60-R64 PolarHBondContact O-N 3.01Å |
| 61 | V | 98.4 | Very high | 97.7 | Very high | 70 Ų | 70 | 94.6 Ų | 94.6 | 42% | 0.424 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 176.9 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | E57 E58 E59 R64 Q65 | E57-V61 WeakPolarHBondContact O-CG2 3.38Å; E57-V61 PolarHBondContact O-N 3.29Å; E58-V61 PolarHBondContact O-N 3.22Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 3.45Å; V61-R64 WeakPolarHBondContact O-CB 3.32Å; V61-R64 PolarHBondContact O-N 2.97Å; V61-Q65 WeakPolarHBondContact O-CG 3.21Å; V61-Q65 PolarHBondContact O-N 3.35Å |
| 62 | T | 98.3 | Very high | 97.8 | Very high | 74 Ų | 74 | 99.6 Ų | 99.6 | 45% | 0.454 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 178.3 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | E58 E59 I60 R64 Q65 V66 | E58-T62 WeakPolarHBondContact O-CB 3.46Å; E58-T62 PolarHBondContact O-N 2.87Å; E58-T62 PolarHBondContact O-OG1 3.43Å; E59-T62 PolarHBondContact O-N 2.87Å; I60-T62 VanDerWaalsContact C-N 3.34Å; T62-R64 VanDerWaalsContact C-N 3.34Å; T62-R64 PolarHBondContact O-N 3.33Å; T62-Q65 WeakPolarHBondContact O-CB 3.31Å; T62-Q65 PolarHBondContact O-N 3.34Å; T62-Q65 VanDerWaalsContact O-N 3.13Å; T62-V66 WeakPolarHBondContact O-CG2 3.46Å; T62-V66 PolarHBondContact O-N 3.21Å |
| 63 | L | 98.7 | Very high | 97.8 | Very high | 114 Ų | 114 | 99.7 Ų | 99.7 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62 | -40 | 177.3 | -72.9 | 174.1 | 0 | 0 | 0 | 111.9 | E59 I60 Q65 V66 L67 | E59-L63 WeakPolarHBondContact O-CB 3.23Å; E59-L63 VanDerWaalsContact O-CG 3.23Å; E59-L63 WeakPolarHBondContact O-CG 3.35Å; E59-L63 PolarHBondContact O-N 2.78Å; I60-L63 PolarHBondContact O-N 3.42Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 2.9Å; L63-V66 PolarHBondContact O-N 3.05Å; L63-L67 WeakPolarHBondContact O-CB 3.42Å; L63-L67 PolarHBondContact O-N 3.39Å |
| 64 | R | 98.6 | Very high | 97.8 | Very high | 167 Ų | 167 | 97.5 Ų | 97.5 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.7 | -41.4 | 173 | -74.6 | 172.3 | 178.2 | 145.7 | 2.2 | 111.9 | I60 V61 T62 L67 A68 | I60-R64 VanDerWaalsContact CG2-NH1 3.34Å; I60-R64 VanDerWaalsContact O-CG 3.31Å; I60-R64 WeakPolarHBondContact O-CG 3.34Å; I60-R64 PolarHBondContact O-N 3.01Å; V61-R64 WeakPolarHBondContact O-CB 3.32Å; V61-R64 PolarHBondContact O-N 2.97Å; T62-R64 VanDerWaalsContact C-N 3.34Å; T62-R64 PolarHBondContact O-N 3.33Å; R64-L67 PolarHBondContact O-N 2.96Å; R64-A68 WeakPolarHBondContact O-CB 3.44Å; R64-A68 PolarHBondContact O-N 2.86Å |
| 65 | Q | 98.6 | Very high | 97.7 | Very high | 122 Ų | 122 | 95.6 Ų | 95.6 | 57% | 0.57 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65 | -43.5 | 176.1 | -70.4 | 172.8 | 3 | 0 | 0 | 111.8 | V61 T62 L63 L67 A68 A69 | V61-Q65 WeakPolarHBondContact O-CG 3.21Å; V61-Q65 PolarHBondContact O-N 3.35Å; T62-Q65 WeakPolarHBondContact O-CB 3.31Å; T62-Q65 PolarHBondContact O-N 3.34Å; T62-Q65 VanDerWaalsContact O-N 3.13Å; L63-Q65 VanDerWaalsContact C-N 3.34Å; L63-Q65 PolarHBondContact O-N 2.9Å; Q65-L67 VanDerWaalsContact C-N 3.35Å; Q65-A68 PolarHBondContact O-N 3.27Å; Q65-A69 WeakPolarHBondContact O-CB 3.48Å; Q65-A69 PolarHBondContact O-N 3.41Å |
| 66 | V | 98.8 | Very high | 97.5 | Very high | 74 Ų | 74 | 92.3 Ų | 92.3 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.5 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | T62 L63 A69 K70 | T62-V66 WeakPolarHBondContact O-CG2 3.46Å; T62-V66 PolarHBondContact O-N 3.21Å; L63-V66 PolarHBondContact O-N 3.05Å; V66-A69 WeakPolarHBondContact O-CB 3.1Å; V66-A69 PolarHBondContact O-N 2.91Å; V66-K70 HydrophobicContact CG1-CG 4.48Å; V66-K70 WeakPolarHBondContact O-CG 3.38Å; V66-K70 PolarHBondContact O-N 2.87Å |
| 67 | L | 98.6 | Very high | 97.4 | Very high | 103 Ų | 103 | 93 Ų | 93 | 54% | 0.539 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.1 | -49.3 | 177 | -172.6 | 67.7 | 0 | 0 | 0 | 110.8 | L63 R64 Q65 A69 K70 E71 | L63-L67 WeakPolarHBondContact O-CB 3.42Å; L63-L67 PolarHBondContact O-N 3.39Å; R64-L67 PolarHBondContact O-N 2.96Å; Q65-L67 VanDerWaalsContact C-N 3.35Å; L67-A69 PolarHBondContact O-N 2.97Å; L67-K70 CarbonylContact O-C 3.58Å; L67-K70 WeakPolarHBondContact O-CA 3.44Å; L67-K70 WeakPolarHBondContact O-CB 3.49Å; L67-K70 PolarHBondContact O-N 2.82Å; L67-E71 WeakPolarHBondContact O-CG 3.44Å; L67-E71 PolarHBondContact O-N 3.49Å |
| 68 | A | 98 | Very high | 97.1 | Very high | 28 Ų | 28 | 93.2 Ų | 93.2 | 23% | 0.231 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.2 | -36 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R64 Q65 R72 | R64-A68 WeakPolarHBondContact O-CB 3.44Å; R64-A68 PolarHBondContact O-N 2.86Å; Q65-A68 PolarHBondContact O-N 3.27Å; A68-R72 WeakPolarHBondContact O-CG 3.39Å; A68-R72 PolarHBondContact O-N 3.13Å |
| 69 | A | 98.2 | Very high | 96.8 | Very high | 45 Ų | 45 | 94.6 Ų | 94.6 | 37% | 0.372 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q65 V66 L67 R72 H73 | Q65-A69 WeakPolarHBondContact O-CB 3.48Å; Q65-A69 PolarHBondContact O-N 3.41Å; V66-A69 WeakPolarHBondContact O-CB 3.1Å; V66-A69 PolarHBondContact O-N 2.91Å; L67-A69 PolarHBondContact O-N 2.97Å; A69-R72 PolarHBondContact O-N 3.43Å; A69-H73 WeakPolarHBondContact O-CB 3.46Å; A69-H73 PolarHBondContact O-N 3.02Å |
| 70 | K | 97.8 | Very high | 96.4 | Very high | 140 Ų | 140 | 99.2 Ų | 99.2 | 61% | 0.609 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.9 | -39.5 | 175.2 | -70.6 | -71.3 | -176.7 | -172.9 | 0 | 112 | V66 L67 H73 C74 | V66-K70 HydrophobicContact CG1-CG 4.48Å; V66-K70 WeakPolarHBondContact O-CG 3.38Å; V66-K70 PolarHBondContact O-N 2.87Å; L67-K70 CarbonylContact O-C 3.58Å; L67-K70 WeakPolarHBondContact O-CA 3.44Å; L67-K70 WeakPolarHBondContact O-CB 3.49Å; L67-K70 PolarHBondContact O-N 2.82Å; K70-H73 PolarHBondContact O-N 2.63Å; K70-C74 WeakPolarHBondContact O-CB 3.42Å; K70-C74 PolarHBondContact O-N 2.9Å |
| 71 | E | 96.8 | Very high | 96 | Very high | 123 Ų | 123 | 102 Ų | 102 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.9 | -45.5 | 174.9 | -72.6 | 175.3 | 160.5 | 0 | 0 | 111.3 | L67 H73 C74 G75 | L67-E71 WeakPolarHBondContact O-CG 3.44Å; L67-E71 PolarHBondContact O-N 3.49Å; E71-H73 PolarHBondContact O-N 3.23Å; E71-C74 PolarHBondContact O-N 2.91Å; E71-G75 PolarHBondContact O-N 3.2Å |
| 72 | R | 96.6 | Very high | 95.4 | Very high | 167 Ų | 167 | 99.8 Ų | 99.8 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60 | -44.2 | 173.1 | -78.1 | -173.4 | -117.2 | 103.4 | 1.3 | 112.2 | A68 A69 G75 E76 | A68-R72 WeakPolarHBondContact O-CG 3.39Å; A68-R72 PolarHBondContact O-N 3.13Å; A69-R72 PolarHBondContact O-N 3.43Å; R72-G75 PolarHBondContact O-N 2.82Å; R72-E76 PolarHBondContact O-N 2.81Å |
| 73 | H | 97.1 | Very high | 94.7 | Very high | 116 Ų | 116 | 100.8 Ų | 100.8 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 178 | -175.7 | -103.1 | 0 | 0 | 0 | 112.2 | A69 K70 E71 E76 L77 | A69-H73 WeakPolarHBondContact O-CB 3.46Å; A69-H73 PolarHBondContact O-N 3.02Å; K70-H73 PolarHBondContact O-N 2.63Å; E71-H73 PolarHBondContact O-N 3.23Å; H73-E76 PolarHBondContact O-N 3.42Å; H73-L77 WeakPolarHBondContact CE1-CD1 3.38Å; H73-L77 WeakPolarHBondContact ND1-CD1 3.49Å; H73-L77 WeakPolarHBondContact NE2-CD1 3.34Å; H73-L77 WeakPolarHBondContact O-CD1 3.48Å; H73-L77 PolarHBondContact O-N 3.32Å |
| 74 | C | 95.1 | Very high | 93.8 | Very high | 60 Ų | 60 | 97.6 Ų | 97.6 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 172.7 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | K70 E71 E76 L77 K78 | K70-C74 WeakPolarHBondContact O-CB 3.42Å; K70-C74 PolarHBondContact O-N 2.9Å; E71-C74 PolarHBondContact O-N 2.91Å; C74-E76 VanDerWaalsContact C-N 3.34Å; C74-E76 PolarHBondContact O-N 2.94Å; C74-L77 PolarHBondContact O-N 2.86Å; C74-K78 WeakPolarHBondContact O-CG 3.32Å; C74-K78 PolarHBondContact O-N 3.35Å |
| 75 | G | 93.7 | Very high | 92.8 | Very high | 28 Ų | 28 | 93.8 Ų | 93.8 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E71 R72 K78 R79 | E71-G75 PolarHBondContact O-N 3.2Å; R72-G75 PolarHBondContact O-N 2.82Å; G75-K78 PolarHBondContact O-N 3.47Å; G75-R79 PolarHBondContact O-N 2.96Å; G75-R79 VanDerWaalsContact O-N 3.1Å |
| 76 | E | 94.6 | Very high | 91.8 | Very high | 55 Ų | 55 | 92.9 Ų | 92.9 | 26% | 0.257 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 174 | 179.4 | 61.7 | -155.2 | 0 | 0 | 111.9 | R72 H73 C74 K78 R79 R80 | R72-E76 PolarHBondContact O-N 2.81Å; H73-E76 PolarHBondContact O-N 3.42Å; C74-E76 VanDerWaalsContact C-N 3.34Å; C74-E76 PolarHBondContact O-N 2.94Å; E76-K78 VanDerWaalsContact C-N 3.34Å; E76-K78 PolarHBondContact O-N 3.29Å; E76-R79 PolarHBondContact O-N 3.47Å; E76-R79 IonicContact OE2-CZ 3.2Å; E76-R79 IonicContact OE2-NE 3.95Å; E76-R79 IonicContact OE2-NH1 3.59Å; E76-R79 IonicContact OE2-NH2 2.81Å; E76-R79 PolarHBondContact OE2-NH2 3.38Å; E76-R80 WeakPolarHBondContact O-CG 3.38Å; E76-R80 PolarHBondContact O-N 2.93Å; E76-R80 IonicContact OE1-CZ 3.53Å; E76-R80 IonicContact OE1-NE 2.63Å; E76-R80 PolarHBondContact OE1-NE 2.96Å; E76-R80 IonicContact OE1-NH2 3.34Å; E76-R80 PolarHBondContact OE1-NH2 3.22Å |
| 77 | L | 95 | Very high | 91 | Very high | 77 Ų | 77 | 90.9 Ų | 90.9 | 40% | 0.403 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 174.6 | -97.5 | 93.8 | 0 | 0 | 0 | 112 | H73 C74 R79 R80 L81 | H73-L77 WeakPolarHBondContact CE1-CD1 3.38Å; H73-L77 WeakPolarHBondContact ND1-CD1 3.49Å; H73-L77 WeakPolarHBondContact NE2-CD1 3.34Å; H73-L77 WeakPolarHBondContact O-CD1 3.48Å; H73-L77 PolarHBondContact O-N 3.32Å; C74-L77 PolarHBondContact O-N 2.86Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.3Å; L77-R80 PolarHBondContact O-N 2.86Å; L77-L81 WeakPolarHBondContact O-CB 3.41Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.42Å |
| 78 | K | 92.6 | Very high | 90 | Very high | 108 Ų | 108 | 92.5 Ų | 92.5 | 47% | 0.47 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 176.3 | -75.7 | 175.9 | 178.9 | 175.9 | 0 | 112.3 | C74 G75 E76 G82 L83 S84 | C74-K78 WeakPolarHBondContact O-CG 3.32Å; C74-K78 PolarHBondContact O-N 3.35Å; G75-K78 PolarHBondContact O-N 3.47Å; E76-K78 VanDerWaalsContact C-N 3.34Å; E76-K78 PolarHBondContact O-N 3.29Å; K78-G82 PolarHBondContact O-N 3.35Å; K78-L83 HydrophobicContact CB-CB 4.36Å; K78-L83 HydrophobicContact CG-CD1 4.4Å; K78-L83 WeakPolarHBondContact O-CB 3.29Å; K78-L83 PolarHBondContact O-N 3.28Å; K78-S84 PolarHBondContact O-N 3.42Å |
| 79 | R | 91 | Very high | 89.4 | Confident | 151 Ų | 151 | 95.9 Ų | 95.9 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.7 | -47.2 | 172.4 | -97.9 | -173.7 | -65 | 149.4 | 7.1 | 111.8 | G75 E76 L77 L81 G82 | G75-R79 PolarHBondContact O-N 2.96Å; G75-R79 VanDerWaalsContact O-N 3.1Å; E76-R79 PolarHBondContact O-N 3.47Å; E76-R79 IonicContact OE2-CZ 3.2Å; E76-R79 IonicContact OE2-NE 3.95Å; E76-R79 IonicContact OE2-NH1 3.59Å; E76-R79 IonicContact OE2-NH2 2.81Å; E76-R79 PolarHBondContact OE2-NH2 3.38Å; L77-R79 VanDerWaalsContact C-N 3.31Å; L77-R79 PolarHBondContact O-N 3.3Å; R79-L81 VanDerWaalsContact C-N 3.29Å; R79-L81 PolarHBondContact O-N 3.1Å; R79-G82 PolarHBondContact O-N 2.88Å |
| 80 | R | 90.9 | Very high | 88.8 | Confident | 196 Ų | 196 | 101.4 Ų | 101.4 | 74% | 0.74 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.4 | -34.8 | 178.6 | -71 | 178.9 | 179.7 | -128.8 | -1.9 | 113.1 | E76 L77 G82 | E76-R80 WeakPolarHBondContact O-CG 3.38Å; E76-R80 PolarHBondContact O-N 2.93Å; E76-R80 IonicContact OE1-CZ 3.53Å; E76-R80 IonicContact OE1-NE 2.63Å; E76-R80 PolarHBondContact OE1-NE 2.96Å; E76-R80 IonicContact OE1-NH2 3.34Å; E76-R80 PolarHBondContact OE1-NH2 3.22Å; L77-R80 PolarHBondContact O-N 2.86Å; R80-G82 PolarHBondContact O-N 3.49Å |
| 81 | L | 89.1 | Confident | 88.3 | Confident | 123 Ų | 123 | 101.1 Ų | 101.1 | 64% | 0.644 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 0.7 | 174.3 | -67.2 | 172.1 | 0 | 0 | 0 | 113.2 | L77 R79 L83 | L77-L81 WeakPolarHBondContact O-CB 3.41Å; L77-L81 VanDerWaalsContact O-CG 3.29Å; L77-L81 WeakPolarHBondContact O-CG 3.41Å; L77-L81 PolarHBondContact O-N 3.42Å; R79-L81 VanDerWaalsContact C-N 3.29Å; R79-L81 PolarHBondContact O-N 3.1Å; L81-L83 HydrophobicContact CB-CD1 4.25Å; L81-L83 HydrophobicContact CB-CG 4.1Å; L81-L83 HydrophobicContact CD1-CD1 4.45Å; L81-L83 PolarHBondContact O-N 3.29Å |
| 82 | G | 86.3 | Confident | 87.8 | Confident | 25 Ų | 25 | 100.5 Ų | 100.5 | 26% | 0.258 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 10.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K78 R79 R80 T85 L86 | K78-G82 PolarHBondContact O-N 3.35Å; R79-G82 PolarHBondContact O-N 2.88Å; R80-G82 PolarHBondContact O-N 3.49Å; G82-T85 PolarHBondContact O-OG1 2.93Å; G82-L86 VanDerWaalsContact O-CB 3.25Å; G82-L86 WeakPolarHBondContact O-CB 3.25Å; G82-L86 PolarHBondContact O-N 3.17Å |
| 83 | L | 83.8 | Confident | 87.2 | Confident | 95 Ų | 95 | 98 Ų | 98 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.5 | -32.3 | -179.9 | -63.3 | 175.3 | 0 | 0 | 0 | 111.9 | K78 L81 G87 | K78-L83 HydrophobicContact CB-CB 4.36Å; K78-L83 HydrophobicContact CG-CD1 4.4Å; K78-L83 WeakPolarHBondContact O-CB 3.29Å; K78-L83 PolarHBondContact O-N 3.28Å; L81-L83 HydrophobicContact CB-CD1 4.25Å; L81-L83 HydrophobicContact CB-CG 4.1Å; L81-L83 HydrophobicContact CD1-CD1 4.45Å; L81-L83 PolarHBondContact O-N 3.29Å; L83-G87 PolarHBondContact O-N 2.87Å |
| 84 | S | 79.7 | Confident | 86.7 | Confident | 47 Ų | 47 | 95.9 Ų | 95.9 | 33% | 0.329 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 174.5 | -67.7 | 0 | 0 | 0 | 0 | 112 | K78 G87 E88 | K78-S84 PolarHBondContact O-N 3.42Å; S84-G87 PolarHBondContact O-N 3.24Å; S84-E88 PolarHBondContact O-N 3Å |
| 85 | T | 76.6 | Confident | 86.2 | Confident | 87 Ų | 87 | 102.1 Ų | 102.1 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -36.3 | 177.2 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | G82 G87 E88 L89 | G82-T85 PolarHBondContact O-OG1 2.93Å; T85-G87 VanDerWaalsContact C-N 3.32Å; T85-E88 PolarHBondContact O-N 3.41Å; T85-L89 WeakPolarHBondContact O-CB 3.43Å; T85-L89 PolarHBondContact O-N 3.42Å |
| 86 | L | 77.8 | Confident | 85.7 | Confident | 103 Ų | 103 | 103.7 Ų | 103.7 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -32.8 | 174.3 | -171.8 | 63.4 | 0 | 0 | 0 | 111.9 | G82 L89 K90 | G82-L86 VanDerWaalsContact O-CB 3.25Å; G82-L86 WeakPolarHBondContact O-CB 3.25Å; G82-L86 PolarHBondContact O-N 3.17Å; L86-L89 HydrophobicContact CD1-CD2 4.5Å; L86-K90 VanDerWaalsContact O-CB 3.3Å; L86-K90 WeakPolarHBondContact O-CB 3.4Å; L86-K90 PolarHBondContact O-N 2.98Å |
| 87 | G | 80.9 | Confident | 85.1 | Confident | 31 Ų | 31 | 108.5 Ų | 108.5 | 32% | 0.32 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L83 S84 T85 K90 Q91 | L83-G87 PolarHBondContact O-N 2.87Å; S84-G87 PolarHBondContact O-N 3.24Å; T85-G87 VanDerWaalsContact C-N 3.32Å; G87-K90 PolarHBondContact O-N 3.48Å; G87-Q91 WeakPolarHBondContact O-CG 3.3Å; G87-Q91 PolarHBondContact O-N 3.01Å |
| 88 | E | 79.4 | Confident | 84.5 | Confident | 137 Ų | 137 | 110.3 Ų | 110.3 | 64% | 0.64 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 174.9 | -80.3 | 171.8 | 157.1 | 0 | 0 | 112.2 | S84 T85 Q91 N92 | S84-E88 PolarHBondContact O-N 3Å; T85-E88 PolarHBondContact O-N 3.41Å; E88-Q91 PolarHBondContact O-N 2.9Å; E88-N92 VanDerWaalsContact O-CB 3.25Å; E88-N92 WeakPolarHBondContact O-CB 3.31Å; E88-N92 PolarHBondContact O-N 3.49Å |
| 89 | L | 84.1 | Confident | 83.8 | Confident | 100 Ų | 100 | 110 Ų | 110 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 174.6 | -179.9 | 63.5 | 0 | 0 | 0 | 111.2 | T85 L86 Q91 N92 L93 | T85-L89 WeakPolarHBondContact O-CB 3.43Å; T85-L89 PolarHBondContact O-N 3.42Å; L86-L89 HydrophobicContact CD1-CD2 4.5Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 2.82Å; L89-N92 PolarHBondContact O-N 3.33Å; L89-L93 VanDerWaalsContact O-CB 3.31Å; L89-L93 WeakPolarHBondContact O-CB 3.25Å; L89-L93 PolarHBondContact O-N 2.95Å |
| 90 | K | 85.5 | Confident | 82.7 | Confident | 161 Ų | 161 | 106.1 Ų | 106.1 | 70% | 0.7 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.8 | -42.7 | 177.4 | -177.3 | -179 | 178.3 | -175.5 | 0 | 111.5 | L86 G87 S94 | L86-K90 VanDerWaalsContact O-CB 3.3Å; L86-K90 WeakPolarHBondContact O-CB 3.4Å; L86-K90 PolarHBondContact O-N 2.98Å; G87-K90 PolarHBondContact O-N 3.48Å; K90-S94 VanDerWaalsContact O-CB 3.24Å; K90-S94 WeakPolarHBondContact O-CB 3.31Å; K90-S94 PolarHBondContact O-N 3.48Å |
| 91 | Q | 87.9 | Confident | 81.5 | Confident | 134 Ų | 134 | 101.9 Ų | 101.9 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.7 | -40.9 | 177.5 | -74 | -172.8 | -22.2 | 0 | 0 | 112.4 | G87 E88 L89 S94 R95 | G87-Q91 WeakPolarHBondContact O-CG 3.3Å; G87-Q91 PolarHBondContact O-N 3.01Å; E88-Q91 PolarHBondContact O-N 2.9Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 2.82Å; Q91-S94 PolarHBondContact O-N 3.28Å; Q91-R95 VanDerWaalsContact O-CB 3.31Å; Q91-R95 WeakPolarHBondContact O-CB 3.24Å; Q91-R95 PolarHBondContact O-N 2.99Å |
| 92 | N | 85.4 | Confident | 80.3 | Confident | 109 Ų | 109 | 101.4 Ų | 101.4 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.8 | -46.5 | 176.3 | -172.2 | -56.8 | 0 | 0 | 0 | 111.1 | E88 L89 S94 R95 S96 | E88-N92 VanDerWaalsContact O-CB 3.25Å; E88-N92 WeakPolarHBondContact O-CB 3.31Å; E88-N92 PolarHBondContact O-N 3.49Å; L89-N92 PolarHBondContact O-N 3.33Å; N92-S94 PolarHBondContact O-N 3.41Å; N92-R95 PolarHBondContact O-N 3.07Å; N92-S96 VanDerWaalsContact O-CB 3.29Å; N92-S96 WeakPolarHBondContact O-CB 3.48Å; N92-S96 PolarHBondContact O-N 3.47Å |
| 93 | L | 85.3 | Confident | 78.6 | Confident | 114 Ų | 114 | 102.1 Ų | 102.1 | 60% | 0.597 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 178.1 | -140.9 | 76.2 | 0 | 0 | 0 | 111.7 | L89 R95 S96 W97 | L89-L93 VanDerWaalsContact O-CB 3.31Å; L89-L93 WeakPolarHBondContact O-CB 3.25Å; L89-L93 PolarHBondContact O-N 2.95Å; L93-R95 VanDerWaalsContact C-N 3.31Å; L93-R95 PolarHBondContact O-N 3.37Å; L93-S96 PolarHBondContact O-N 3.3Å; L93-W97 WeakPolarHBondContact O-CB 3.44Å; L93-W97 PolarHBondContact O-N 3.47Å |
| 94 | S | 85.9 | Confident | 77.3 | Confident | 73 Ų | 73 | 100.7 Ų | 100.7 | 51% | 0.51 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.6 | -36.8 | 177.1 | -164.9 | 0 | 0 | 0 | 0 | 112 | K90 Q91 N92 H98 | K90-S94 VanDerWaalsContact O-CB 3.24Å; K90-S94 WeakPolarHBondContact O-CB 3.31Å; K90-S94 PolarHBondContact O-N 3.48Å; Q91-S94 PolarHBondContact O-N 3.28Å; N92-S94 PolarHBondContact O-N 3.41Å; S94-H98 WeakPolarHBondContact O-CB 3.29Å; S94-H98 PolarHBondContact O-N 2.62Å; S94-H98 VanDerWaalsContact O-N 3.12Å |
| 95 | R | 84.6 | Confident | 76.2 | Confident | 191 Ų | 191 | 101.4 Ų | 101.4 | 72% | 0.721 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -74.3 | -44.8 | 177.4 | -164.9 | 179.3 | -68 | -179.8 | -1 | 111.4 | Q91 N92 L93 W97 H98 D99 | Q91-R95 VanDerWaalsContact O-CB 3.31Å; Q91-R95 WeakPolarHBondContact O-CB 3.24Å; Q91-R95 PolarHBondContact O-N 2.99Å; N92-R95 PolarHBondContact O-N 3.07Å; L93-R95 VanDerWaalsContact C-N 3.31Å; L93-R95 PolarHBondContact O-N 3.37Å; R95-W97 VanDerWaalsContact C-N 3.34Å; R95-W97 PolarHBondContact O-N 3.34Å; R95-H98 WeakPolarHBondContact O-CB 3.14Å; R95-H98 PolarHBondContact O-N 3.1Å; R95-D99 VanDerWaalsContact O-CB 3.29Å; R95-D99 WeakPolarHBondContact O-CB 3.29Å; R95-D99 PolarHBondContact O-N 3.48Å |
| 96 | S | 83.8 | Confident | 75.2 | Confident | 60 Ų | 60 | 104.1 Ų | 104.1 | 42% | 0.42 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64 | -37.8 | 176.1 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | N92 L93 D99 V100 | N92-S96 VanDerWaalsContact O-CB 3.29Å; N92-S96 WeakPolarHBondContact O-CB 3.48Å; N92-S96 PolarHBondContact O-N 3.47Å; L93-S96 PolarHBondContact O-N 3.3Å; S96-D99 PolarHBondContact O-N 3.44Å; S96-V100 VanDerWaalsContact O-CG2 3.28Å; S96-V100 WeakPolarHBondContact O-CG2 3.37Å; S96-V100 PolarHBondContact O-N 2.9Å |
| 97 | W | 82.1 | Confident | 74.5 | Confident | 157 Ų | 157 | 102.5 Ų | 102.5 | 60% | 0.595 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63 | -46.5 | 171.8 | 176.5 | -102.4 | 0 | 0 | 0 | 112.3 | L93 R95 D99 V100 Q101 | L93-W97 WeakPolarHBondContact O-CB 3.44Å; L93-W97 PolarHBondContact O-N 3.47Å; R95-W97 VanDerWaalsContact C-N 3.34Å; R95-W97 PolarHBondContact O-N 3.34Å; W97-D99 VanDerWaalsContact C-N 3.31Å; W97-D99 PolarHBondContact O-N 2.79Å; W97-V100 PolarHBondContact O-N 3.27Å; W97-Q101 VanDerWaalsContact CE2-NE2 3.33Å; W97-Q101 VanDerWaalsContact CZ2-NE2 3.34Å; W97-Q101 WeakPolarHBondContact O-CG 3.37Å; W97-Q101 PolarHBondContact O-N 3.49Å |
| 98 | H | 81.9 | Confident | 73.6 | Confident | 114 Ų | 114 | 106.8 Ų | 106.8 | 53% | 0.528 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 172.4 | -110.2 | 60 | 0 | 0 | 0 | 111.6 | S94 R95 V100 Q101 V102 | S94-H98 WeakPolarHBondContact O-CB 3.29Å; S94-H98 PolarHBondContact O-N 2.62Å; S94-H98 VanDerWaalsContact O-N 3.12Å; R95-H98 WeakPolarHBondContact O-CB 3.14Å; R95-H98 PolarHBondContact O-N 3.1Å; H98-V100 VanDerWaalsContact C-N 3.3Å; H98-V100 PolarHBondContact O-N 3.44Å; H98-Q101 PolarHBondContact O-N 3.12Å; H98-V102 WeakPolarHBondContact O-CB 3.47Å; H98-V102 VanDerWaalsContact O-CG2 3.25Å; H98-V102 WeakPolarHBondContact O-CG2 3.46Å; H98-V102 PolarHBondContact O-N 3.25Å |
| 99 | D | 78.1 | Confident | 72.7 | Confident | 103 Ų | 103 | 104.6 Ų | 104.6 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -34.9 | -179.3 | -161.2 | 38.9 | 0 | 0 | 0 | 111.6 | R95 S96 W97 S103 | R95-D99 VanDerWaalsContact O-CB 3.29Å; R95-D99 WeakPolarHBondContact O-CB 3.29Å; R95-D99 PolarHBondContact O-N 3.48Å; S96-D99 PolarHBondContact O-N 3.44Å; W97-D99 VanDerWaalsContact C-N 3.31Å; W97-D99 PolarHBondContact O-N 2.79Å; D99-S103 WeakPolarHBondContact O-CA 2.95Å; D99-S103 WeakPolarHBondContact O-CB 3.42Å; D99-S103 PolarHBondContact O-N 3.48Å; D99-S103 PolarHBondContact O-OG 3.18Å |
| 100 | V | 68.1 | Low | 71.5 | Confident | 69 Ų | 69 | 102.5 Ų | 102.5 | 42% | 0.418 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.8 | -40.4 | 172 | 170.1 | 0 | 0 | 0 | 0 | 112 | S96 W97 H98 V102 Y106 | S96-V100 VanDerWaalsContact O-CG2 3.28Å; S96-V100 WeakPolarHBondContact O-CG2 3.37Å; S96-V100 PolarHBondContact O-N 2.9Å; W97-V100 PolarHBondContact O-N 3.27Å; H98-V100 VanDerWaalsContact C-N 3.3Å; H98-V100 PolarHBondContact O-N 3.44Å; V100-V102 VanDerWaalsContact C-N 3.32Å; V100-V102 PolarHBondContact O-N 2.83Å; V100-Y106 HydrophobicContact CG1-CD2 4.19Å; V100-Y106 HydrophobicContact CG1-CG 4.5Å; V100-Y106 WeakPolarHBondContact O-CB 3.28Å |
| 101 | Q | 66.2 | Low | 70.5 | Confident | 107 Ų | 107 | 100.2 Ų | 100.2 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.4 | -34.7 | 176.6 | -76.7 | -169.2 | -15.2 | 0 | 0 | 112.7 | W97 H98 | W97-Q101 VanDerWaalsContact CE2-NE2 3.33Å; W97-Q101 VanDerWaalsContact CZ2-NE2 3.34Å; W97-Q101 WeakPolarHBondContact O-CG 3.37Å; W97-Q101 PolarHBondContact O-N 3.49Å; H98-Q101 PolarHBondContact O-N 3.12Å |
| 102 | V | 63 | Low | 69.5 | Low | 112 Ų | 112 | 100.8 Ų | 100.8 | 68% | 0.679 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -99.8 | -19.2 | -171.8 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | H98 V100 | H98-V102 WeakPolarHBondContact O-CB 3.47Å; H98-V102 VanDerWaalsContact O-CG2 3.25Å; H98-V102 WeakPolarHBondContact O-CG2 3.46Å; H98-V102 PolarHBondContact O-N 3.25Å; V100-V102 VanDerWaalsContact C-N 3.32Å; V100-V102 PolarHBondContact O-N 2.83Å |
| 103 | S | 50.5 | Low | 68.6 | Low | 41 Ų | 41 | 101 Ų | 101 | 29% | 0.287 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -71.6 | 134.1 | -179.8 | -85.6 | 0 | 0 | 0 | 0 | 113.5 | D99 A105 Y106 | D99-S103 WeakPolarHBondContact O-CA 2.95Å; D99-S103 WeakPolarHBondContact O-CB 3.42Å; D99-S103 PolarHBondContact O-N 3.48Å; D99-S103 PolarHBondContact O-OG 3.18Å; S103-A105 PolarHBondContact O-N 3.45Å; S103-Y106 PolarHBondContact O-N 3.11Å |
| 104 | S | 56.6 | Low | 67.9 | Low | 64 Ų | 64 | 97.4 Ų | 97.4 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -50 | -22.2 | 170.5 | 178.4 | 0 | 0 | 0 | 0 | 113.9 | K108 | S104-K108 WeakPolarHBondContact O-CB 3.16Å; S104-K108 WeakPolarHBondContact O-CD 3.34Å; S104-K108 VanDerWaalsContact O-CG 3.24Å; S104-K108 WeakPolarHBondContact O-CG 3.25Å; S104-K108 PolarHBondContact O-N 3.05Å; S104-K108 VanDerWaalsContact OG-CE 3.28Å; S104-K108 WeakPolarHBondContact OG-CE 3.39Å; S104-K108 PolarHBondContact OG-NZ 3.31Å |
| 105 | A | 57.6 | Low | 67.1 | Low | 63 Ų | 63 | 99 Ų | 99 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.9 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S103 T109 | S103-A105 PolarHBondContact O-N 3.45Å; A105-T109 WeakPolarHBondContact O-CB 3.24Å; A105-T109 PolarHBondContact O-N 3.47Å; A105-T109 PolarHBondContact O-OG1 2.89Å |
| 106 | Y | 54.5 | Low | 66.3 | Low | 144 Ų | 144 | 97.9 Ų | 97.9 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.6 | -43.3 | 175.5 | 180 | -98.7 | 0 | 0 | 0 | 110.7 | V100 S103 T109 S110 | V100-Y106 HydrophobicContact CG1-CD2 4.19Å; V100-Y106 HydrophobicContact CG1-CG 4.5Å; V100-Y106 WeakPolarHBondContact O-CB 3.28Å; S103-Y106 PolarHBondContact O-N 3.11Å; Y106-T109 PolarHBondContact O-N 3.4Å; Y106-S110 VanDerWaalsContact O-CB 3.26Å; Y106-S110 WeakPolarHBondContact O-CB 3.28Å; Y106-S110 PolarHBondContact O-N 3.28Å; Y106-S110 PolarHBondContact O-OG 3.3Å |
| 107 | V | 63.2 | Low | 65.6 | Low | 69 Ų | 69 | 99.9 Ų | 99.9 | 42% | 0.418 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.3 | -52.3 | 174.4 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | T109 S110 E111 | V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 PolarHBondContact O-N 3.49Å; V107-S110 PolarHBondContact O-N 3.27Å; V107-S110 PolarHBondContact O-OG 2.79Å; V107-E111 WeakPolarHBondContact O-CG 3.5Å; V107-E111 PolarHBondContact O-N 2.95Å |
| 108 | K | 61.3 | Low | 65 | Low | 121 Ų | 121 | 98.4 Ų | 98.4 | 53% | 0.526 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -32.8 | 177.1 | -76.2 | 170.5 | 177.3 | 153.7 | 0 | 114.1 | S104 K112 | S104-K108 WeakPolarHBondContact O-CB 3.16Å; S104-K108 WeakPolarHBondContact O-CD 3.34Å; S104-K108 VanDerWaalsContact O-CG 3.24Å; S104-K108 WeakPolarHBondContact O-CG 3.25Å; S104-K108 PolarHBondContact O-N 3.05Å; S104-K108 VanDerWaalsContact OG-CE 3.28Å; S104-K108 WeakPolarHBondContact OG-CE 3.39Å; S104-K108 PolarHBondContact OG-NZ 3.31Å; K108-K112 WeakPolarHBondContact O-CB 3.15Å; K108-K112 WeakPolarHBondContact O-CG 3.26Å; K108-K112 PolarHBondContact O-N 3.48Å |
| 109 | T | 60.9 | Low | 64.4 | Low | 90 Ų | 90 | 99.5 Ų | 99.5 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -76.3 | -35.5 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 111 | A105 Y106 V107 K112 L113 | A105-T109 WeakPolarHBondContact O-CB 3.24Å; A105-T109 PolarHBondContact O-N 3.47Å; A105-T109 PolarHBondContact O-OG1 2.89Å; Y106-T109 PolarHBondContact O-N 3.4Å; V107-T109 VanDerWaalsContact C-N 3.34Å; V107-T109 PolarHBondContact O-N 3.49Å; T109-K112 PolarHBondContact O-N 2.83Å; T109-L113 VanDerWaalsContact O-CB 3.24Å; T109-L113 WeakPolarHBondContact O-CB 3.45Å; T109-L113 PolarHBondContact O-N 3.42Å |
| 110 | S | 59.9 | Low | 63.5 | Low | 56 Ų | 56 | 96.5 Ų | 96.5 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 173.9 | 75.6 | 0 | 0 | 0 | 0 | 111.8 | Y106 V107 L113 G114 | Y106-S110 VanDerWaalsContact O-CB 3.26Å; Y106-S110 WeakPolarHBondContact O-CB 3.28Å; Y106-S110 PolarHBondContact O-N 3.28Å; Y106-S110 PolarHBondContact O-OG 3.3Å; V107-S110 PolarHBondContact O-N 3.27Å; V107-S110 PolarHBondContact O-OG 2.79Å; S110-L113 PolarHBondContact O-N 3.15Å; S110-G114 PolarHBondContact O-N 3.42Å |
| 111 | E | 64.6 | Low | 63.2 | Low | 114 Ų | 114 | 96.6 Ų | 96.6 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | 171.9 | -71.9 | 168.8 | 169.5 | 0 | 0 | 111 | V107 L113 G114 E115 | V107-E111 WeakPolarHBondContact O-CG 3.5Å; V107-E111 PolarHBondContact O-N 2.95Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.05Å; E111-G114 WeakPolarHBondContact O-CA 3.22Å; E111-G114 PolarHBondContact O-N 3.47Å; E111-E115 PolarHBondContact O-N 3.4Å |
| 112 | K | 66.9 | Low | 63 | Low | 146 Ų | 146 | 98.3 Ų | 98.3 | 64% | 0.635 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.4 | -30.5 | 176.6 | -78.6 | -174.7 | 170 | -176.3 | 0 | 113.9 | K108 T109 E115 W116 | K108-K112 WeakPolarHBondContact O-CB 3.15Å; K108-K112 WeakPolarHBondContact O-CG 3.26Å; K108-K112 PolarHBondContact O-N 3.48Å; T109-K112 PolarHBondContact O-N 2.83Å; K112-E115 PolarHBondContact O-N 3.42Å; K112-W116 WeakPolarHBondContact O-CB 3.46Å; K112-W116 PolarHBondContact O-N 2.91Å |
| 113 | L | 65.9 | Low | 62.5 | Low | 113 Ų | 113 | 94.7 Ų | 94.7 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.8 | -37.6 | 173.8 | -166.6 | 74.6 | 0 | 0 | 0 | 110.4 | T109 S110 E111 W116 N117 | T109-L113 VanDerWaalsContact O-CB 3.24Å; T109-L113 WeakPolarHBondContact O-CB 3.45Å; T109-L113 PolarHBondContact O-N 3.42Å; S110-L113 PolarHBondContact O-N 3.15Å; E111-L113 VanDerWaalsContact C-N 3.33Å; E111-L113 PolarHBondContact O-N 3.05Å; L113-W116 PolarHBondContact O-N 2.96Å; L113-N117 VanDerWaalsContact O-CB 3.25Å; L113-N117 WeakPolarHBondContact O-CB 3.24Å; L113-N117 PolarHBondContact O-N 2.83Å |
| 114 | G | 69.9 | Low | 62.8 | Low | 38 Ų | 38 | 98.8 Ų | 98.8 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S110 E111 W116 N117 E118 | S110-G114 PolarHBondContact O-N 3.42Å; E111-G114 WeakPolarHBondContact O-CA 3.22Å; E111-G114 PolarHBondContact O-N 3.47Å; G114-W116 PolarHBondContact O-N 3.18Å; G114-N117 WeakPolarHBondContact O-CB 3.41Å; G114-N117 PolarHBondContact O-N 2.88Å; G114-E118 PolarHBondContact O-N 3Å |
| 115 | E | 68.8 | Low | 63 | Low | 108 Ų | 108 | 102 Ų | 102 | 51% | 0.505 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 175.8 | -73.8 | -178.5 | 172.6 | 0 | 0 | 113.1 | E111 K112 K119 | E111-E115 PolarHBondContact O-N 3.4Å; K112-E115 PolarHBondContact O-N 3.42Å; E115-K119 WeakPolarHBondContact O-CB 3.43Å; E115-K119 VanDerWaalsContact O-CG 3.22Å; E115-K119 WeakPolarHBondContact O-CG 3.33Å; E115-K119 PolarHBondContact O-N 3.12Å |
| 116 | W | 68.6 | Low | 62.8 | Low | 166 Ų | 166 | 104.2 Ų | 104.2 | 63% | 0.629 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.2 | -39 | 176.4 | -172.3 | 82.8 | 0 | 0 | 0 | 111.6 | K112 L113 G114 E118 K119 V120 | K112-W116 WeakPolarHBondContact O-CB 3.46Å; K112-W116 PolarHBondContact O-N 2.91Å; L113-W116 PolarHBondContact O-N 2.96Å; G114-W116 PolarHBondContact O-N 3.18Å; W116-E118 VanDerWaalsContact C-N 3.34Å; W116-E118 PolarHBondContact O-N 3.5Å; W116-K119 PolarHBondContact O-N 3.34Å; W116-V120 HydrophobicContact CD2-CG2 3.72Å; W116-V120 VanDerWaalsContact CE2-CG2 3.43Å; W116-V120 HydrophobicContact CE3-CG2 4.03Å; W116-V120 HydrophobicContact CG-CG2 4.35Å; W116-V120 HydrophobicContact CH2-CG2 3.89Å; W116-V120 HydrophobicContact CZ2-CG2 3.55Å; W116-V120 HydrophobicContact CZ3-CG2 4.1Å; W116-V120 WeakPolarHBondContact O-CB 3.34Å; W116-V120 WeakPolarHBondContact O-CG2 3.29Å; W116-V120 PolarHBondContact O-N 3.41Å |
| 117 | N | 70 | Confident | 63.2 | Low | 103 Ų | 103 | 103.5 Ų | 103.5 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.2 | -43.9 | 174.6 | -179.2 | 68.4 | 0 | 0 | 0 | 111.4 | L113 G114 T121 | L113-N117 VanDerWaalsContact O-CB 3.25Å; L113-N117 WeakPolarHBondContact O-CB 3.24Å; L113-N117 PolarHBondContact O-N 2.83Å; G114-N117 WeakPolarHBondContact O-CB 3.41Å; G114-N117 PolarHBondContact O-N 2.88Å; N117-T121 VanDerWaalsContact O-CB 3.23Å; N117-T121 WeakPolarHBondContact O-CB 3.37Å; N117-T121 PolarHBondContact O-N 3.19Å; N117-T121 PolarHBondContact O-OG1 2.67Å |
| 118 | E | 69.3 | Low | 63.1 | Low | 125 Ų | 125 | 107.5 Ų | 107.5 | 58% | 0.584 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.6 | -42.8 | 176 | -169.5 | 136 | -151.6 | 0 | 0 | 111.9 | G114 W116 T121 Q122 | G114-E118 PolarHBondContact O-N 3Å; W116-E118 VanDerWaalsContact C-N 3.34Å; W116-E118 PolarHBondContact O-N 3.5Å; E118-T121 PolarHBondContact O-N 2.98Å; E118-Q122 VanDerWaalsContact O-CB 3.31Å; E118-Q122 WeakPolarHBondContact O-CB 3.33Å; E118-Q122 WeakPolarHBondContact O-CG 3.33Å; E118-Q122 PolarHBondContact O-N 3.37Å |
| 119 | K | 67.6 | Low | 63.1 | Low | 138 Ų | 138 | 105.6 Ų | 105.6 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.7 | -38.9 | 177.6 | -76.4 | 172.5 | -179.9 | 173.5 | 0 | 113.6 | E115 W116 S123 | E115-K119 WeakPolarHBondContact O-CB 3.43Å; E115-K119 VanDerWaalsContact O-CG 3.22Å; E115-K119 WeakPolarHBondContact O-CG 3.33Å; E115-K119 PolarHBondContact O-N 3.12Å; W116-K119 PolarHBondContact O-N 3.34Å; K119-S123 VanDerWaalsContact O-CB 3.27Å; K119-S123 WeakPolarHBondContact O-CB 3.38Å; K119-S123 PolarHBondContact O-N 3.22Å |
| 120 | V | 60.9 | Low | 63.2 | Low | 39 Ų | 39 | 106 Ų | 106 | 24% | 0.236 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -69.2 | -45 | 175.5 | 165.6 | 0 | 0 | 0 | 0 | 110.2 | W116 Q122 S123 Y126 | W116-V120 HydrophobicContact CD2-CG2 3.72Å; W116-V120 VanDerWaalsContact CE2-CG2 3.43Å; W116-V120 HydrophobicContact CE3-CG2 4.03Å; W116-V120 HydrophobicContact CG-CG2 4.35Å; W116-V120 HydrophobicContact CH2-CG2 3.89Å; W116-V120 HydrophobicContact CZ2-CG2 3.55Å; W116-V120 HydrophobicContact CZ3-CG2 4.1Å; W116-V120 WeakPolarHBondContact O-CB 3.34Å; W116-V120 WeakPolarHBondContact O-CG2 3.29Å; W116-V120 PolarHBondContact O-N 3.41Å; V120-Q122 VanDerWaalsContact C-N 3.27Å; V120-Q122 PolarHBondContact O-N 3.14Å; V120-S123 PolarHBondContact O-N 3.35Å; V120-S123 VanDerWaalsContact O-N 3.13Å; V120-S123 PolarHBondContact O-OG 2.95Å; V120-Y126 HydrophobicContact CG1-CD2 4.05Å; V120-Y126 HydrophobicContact CG1-CG 4.4Å; V120-Y126 WeakPolarHBondContact O-CB 3.36Å |
| 121 | T | 61.5 | Low | 63.4 | Low | 71 Ų | 71 | 109.3 Ų | 109.3 | 44% | 0.436 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -34.3 | 177.7 | -56 | 0 | 0 | 0 | 0 | 112.1 | N117 E118 | N117-T121 VanDerWaalsContact O-CB 3.23Å; N117-T121 WeakPolarHBondContact O-CB 3.37Å; N117-T121 PolarHBondContact O-N 3.19Å; N117-T121 PolarHBondContact O-OG1 2.67Å; E118-T121 PolarHBondContact O-N 2.98Å |
| 122 | Q | 60.4 | Low | 63.3 | Low | 144 Ų | 144 | 108 Ų | 108 | 67% | 0.673 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -82.8 | -17.7 | 175.3 | -74.4 | -157.5 | -17.7 | 0 | 0 | 114.3 | E118 V120 D124 | E118-Q122 VanDerWaalsContact O-CB 3.31Å; E118-Q122 WeakPolarHBondContact O-CB 3.33Å; E118-Q122 WeakPolarHBondContact O-CG 3.33Å; E118-Q122 PolarHBondContact O-N 3.37Å; V120-Q122 VanDerWaalsContact C-N 3.27Å; V120-Q122 PolarHBondContact O-N 3.14Å; Q122-D124 PolarHBondContact O-N 2.96Å |
| 123 | S | 53.4 | Low | 63.4 | Low | 36 Ų | 36 | 107 Ų | 107 | 25% | 0.252 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -70.3 | 133 | -178.4 | 68.5 | 0 | 0 | 0 | 0 | 111.6 | K119 V120 L125 Y126 K127 | K119-S123 VanDerWaalsContact O-CB 3.27Å; K119-S123 WeakPolarHBondContact O-CB 3.38Å; K119-S123 PolarHBondContact O-N 3.22Å; V120-S123 PolarHBondContact O-N 3.35Å; V120-S123 VanDerWaalsContact O-N 3.13Å; V120-S123 PolarHBondContact O-OG 2.95Å; S123-L125 PolarHBondContact O-N 2.94Å; S123-Y126 PolarHBondContact O-N 2.77Å; S123-K127 PolarHBondContact O-N 3.32Å |
| 124 | D | 57.1 | Low | 63.6 | Low | 126 Ų | 126 | 104.8 Ų | 104.8 | 67% | 0.674 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.7 | -21.8 | 176.3 | -64.6 | -49.8 | 0 | 0 | 0 | 112.6 | Q122 K128 | Q122-D124 PolarHBondContact O-N 2.96Å; D124-K128 WeakPolarHBondContact O-CB 3.41Å; D124-K128 PolarHBondContact O-N 3.3Å |
| 125 | L | 59.8 | Low | 63.3 | Low | 133 Ų | 133 | 108.4 Ų | 108.4 | 70% | 0.696 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.3 | -41.1 | 171.6 | -79.8 | 146.4 | 0 | 0 | 0 | 112.8 | S123 T129 | S123-L125 PolarHBondContact O-N 2.94Å; L125-T129 WeakPolarHBondContact O-CB 3.49Å; L125-T129 PolarHBondContact O-N 2.9Å; L125-T129 PolarHBondContact O-OG1 3.28Å |
| 126 | Y | 54.8 | Low | 62.8 | Low | 109 Ų | 109 | 105.5 Ų | 105.5 | 43% | 0.427 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 176.5 | -176.7 | -98.8 | 0 | 0 | 0 | 111.1 | V120 S123 T129 Q130 | V120-Y126 HydrophobicContact CG1-CD2 4.05Å; V120-Y126 HydrophobicContact CG1-CG 4.4Å; V120-Y126 WeakPolarHBondContact O-CB 3.36Å; S123-Y126 PolarHBondContact O-N 2.77Å; Y126-T129 PolarHBondContact O-N 3.04Å; Y126-Q130 VanDerWaalsContact CE1-OE1 3.32Å; Y126-Q130 WeakPolarHBondContact O-CA 3.49Å; Y126-Q130 WeakPolarHBondContact O-CB 3.25Å; Y126-Q130 PolarHBondContact O-N 3.43Å |
| 127 | K | 62.6 | Low | 62.6 | Low | 128 Ų | 128 | 99.2 Ų | 99.2 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.3 | -46.2 | 173.9 | -72.9 | -177.2 | 177.5 | 172.4 | 0 | 112 | S123 Q130 E131 | S123-K127 PolarHBondContact O-N 3.32Å; K127-Q130 PolarHBondContact O-N 2.95Å; K127-E131 WeakPolarHBondContact O-CB 3.08Å; K127-E131 PolarHBondContact O-N 3.27Å |
| 128 | K | 61.5 | Low | 62.5 | Low | 154 Ų | 154 | 101.9 Ų | 101.9 | 67% | 0.67 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.7 | -32.5 | 179.4 | -161.5 | 163.6 | -173.1 | 163.1 | 0 | 113 | D124 T132 | D124-K128 WeakPolarHBondContact O-CB 3.41Å; D124-K128 PolarHBondContact O-N 3.3Å; K128-T132 WeakPolarHBondContact O-CB 3.12Å; K128-T132 PolarHBondContact O-N 3.38Å; K128-T132 VanDerWaalsContact O-N 3.12Å; K128-T132 PolarHBondContact O-OG1 3.39Å |
| 129 | T | 61.5 | Low | 62.3 | Low | 81 Ų | 81 | 103.4 Ų | 103.4 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -78 | -37.9 | 174.7 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | L125 Y126 E131 T132 L133 | L125-T129 WeakPolarHBondContact O-CB 3.49Å; L125-T129 PolarHBondContact O-N 2.9Å; L125-T129 PolarHBondContact O-OG1 3.28Å; Y126-T129 PolarHBondContact O-N 3.04Å; T129-E131 VanDerWaalsContact C-N 3.3Å; T129-E131 PolarHBondContact O-N 2.8Å; T129-T132 PolarHBondContact O-N 3.45Å; T129-L133 WeakPolarHBondContact O-CA 3.27Å; T129-L133 WeakPolarHBondContact O-CB 3.33Å; T129-L133 PolarHBondContact O-N 2.79Å |
| 130 | Q | 62.1 | Low | 61.9 | Low | 99 Ų | 99 | 100.5 Ų | 100.5 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 173.4 | -178.5 | -170.2 | -60.1 | 0 | 0 | 110.7 | Y126 K127 S134 | Y126-Q130 VanDerWaalsContact CE1-OE1 3.32Å; Y126-Q130 WeakPolarHBondContact O-CA 3.49Å; Y126-Q130 WeakPolarHBondContact O-CB 3.25Å; Y126-Q130 PolarHBondContact O-N 3.43Å; K127-Q130 PolarHBondContact O-N 2.95Å; Q130-S134 VanDerWaalsContact O-CB 3.24Å; Q130-S134 WeakPolarHBondContact O-CB 3.28Å; Q130-S134 PolarHBondContact O-N 3.47Å; Q130-S134 PolarHBondContact O-OG 2.92Å |
| 131 | E | 63.5 | Low | 61.8 | Low | 124 Ų | 124 | 102.4 Ų | 102.4 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.4 | -42.1 | 175.9 | -161.6 | 171.3 | -168.9 | 0 | 0 | 111.3 | K127 T129 Q135 | K127-E131 WeakPolarHBondContact O-CB 3.08Å; K127-E131 PolarHBondContact O-N 3.27Å; T129-E131 VanDerWaalsContact C-N 3.3Å; T129-E131 PolarHBondContact O-N 2.8Å; E131-Q135 VanDerWaalsContact O-CG 3.28Å; E131-Q135 WeakPolarHBondContact O-CG 3.22Å; E131-Q135 PolarHBondContact O-N 3.2Å; E131-Q135 VanDerWaalsContact O-N 3.11Å |
| 132 | T | 63.2 | Low | 61.8 | Low | 87 Ų | 87 | 101.9 Ų | 101.9 | 53% | 0.534 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.3 | -40 | 175.7 | -54.8 | 0 | 0 | 0 | 0 | 112.6 | K128 T129 Q135 A136 | K128-T132 WeakPolarHBondContact O-CB 3.12Å; K128-T132 PolarHBondContact O-N 3.38Å; K128-T132 VanDerWaalsContact O-N 3.12Å; K128-T132 PolarHBondContact O-OG1 3.39Å; T129-T132 PolarHBondContact O-N 3.45Å; T132-Q135 PolarHBondContact O-N 3.24Å; T132-A136 VanDerWaalsContact O-CB 3.28Å; T132-A136 WeakPolarHBondContact O-CB 3.13Å; T132-A136 PolarHBondContact O-N 3.41Å |
| 133 | L | 68.9 | Low | 61.7 | Low | 124 Ų | 124 | 97.5 Ų | 97.5 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.9 | -36.7 | 177.6 | -173.9 | 83.3 | 0 | 0 | 0 | 111 | T129 G137 | T129-L133 WeakPolarHBondContact O-CA 3.27Å; T129-L133 WeakPolarHBondContact O-CB 3.33Å; T129-L133 PolarHBondContact O-N 2.79Å; L133-G137 WeakPolarHBondContact O-CA 3.06Å; L133-G137 PolarHBondContact O-N 3.35Å |
| 134 | S | 69.7 | Low | 62.2 | Low | 68 Ų | 68 | 101.5 Ų | 101.5 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 173 | -66.8 | 0 | 0 | 0 | 0 | 110.9 | Q130 Q138 | Q130-S134 VanDerWaalsContact O-CB 3.24Å; Q130-S134 WeakPolarHBondContact O-CB 3.28Å; Q130-S134 PolarHBondContact O-N 3.47Å; Q130-S134 PolarHBondContact O-OG 2.92Å; S134-Q138 WeakPolarHBondContact O-CG 3.22Å; S134-Q138 PolarHBondContact O-N 2.92Å |
| 135 | Q | 63.4 | Low | 62.5 | Low | 114 Ų | 114 | 99 Ų | 99 | 53% | 0.533 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.7 | -40.9 | 177.5 | -70.6 | -179.1 | 36.1 | 0 | 0 | 113 | E131 T132 K139 | E131-Q135 VanDerWaalsContact O-CG 3.28Å; E131-Q135 WeakPolarHBondContact O-CG 3.22Å; E131-Q135 PolarHBondContact O-N 3.2Å; E131-Q135 VanDerWaalsContact O-N 3.11Å; T132-Q135 PolarHBondContact O-N 3.24Å; Q135-K139 WeakPolarHBondContact O-CG 3.23Å |
| 136 | A | 59.8 | Low | 62.9 | Low | 47 Ų | 47 | 97.2 Ų | 97.2 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -74.2 | -34 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T132 K139 T140 | T132-A136 VanDerWaalsContact O-CB 3.28Å; T132-A136 WeakPolarHBondContact O-CB 3.13Å; T132-A136 PolarHBondContact O-N 3.41Å; A136-K139 PolarHBondContact O-N 3.2Å; A136-T140 WeakPolarHBondContact O-CB 3.37Å; A136-T140 PolarHBondContact O-N 3.38Å; A136-T140 PolarHBondContact O-OG1 2.86Å |
| 137 | G | 63.5 | Low | 63.2 | Low | 34 Ų | 34 | 96 Ų | 96 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.7 | -40.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L133 K139 T140 S141 | L133-G137 WeakPolarHBondContact O-CA 3.06Å; L133-G137 PolarHBondContact O-N 3.35Å; G137-K139 VanDerWaalsContact C-N 3.35Å; G137-K139 PolarHBondContact O-N 3.05Å; G137-T140 PolarHBondContact O-N 2.73Å; G137-S141 WeakPolarHBondContact O-CB 3.31Å; G137-S141 PolarHBondContact O-N 3.22Å |
| 138 | Q | 67.3 | Low | 63.5 | Low | 159 Ų | 159 | 91.5 Ų | 91.5 | 74% | 0.743 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.1 | -38.7 | 172.6 | -73 | -156 | -23.5 | 0 | 0 | 112.5 | S134 A142 | S134-Q138 WeakPolarHBondContact O-CG 3.22Å; S134-Q138 PolarHBondContact O-N 2.92Å; Q138-A142 PolarHBondContact O-N 3.13Å |
| 139 | K | 66.3 | Low | 63.7 | Low | 157 Ų | 157 | 86.5 Ų | 86.5 | 68% | 0.683 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.4 | -36.7 | 176.1 | -67.7 | 175 | -176.7 | 179.2 | 0 | 112.6 | Q135 A136 G137 A143 | Q135-K139 WeakPolarHBondContact O-CG 3.23Å; A136-K139 PolarHBondContact O-N 3.2Å; G137-K139 VanDerWaalsContact C-N 3.35Å; G137-K139 PolarHBondContact O-N 3.05Å; K139-A143 PolarHBondContact O-N 3.48Å |
| 140 | T | 59.8 | Low | 63.8 | Low | 76 Ų | 76 | 84.9 Ų | 84.9 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -78.7 | -36.3 | 179.3 | -54.2 | 0 | 0 | 0 | 0 | 112 | A136 G137 A142 A143 L144 | A136-T140 WeakPolarHBondContact O-CB 3.37Å; A136-T140 PolarHBondContact O-N 3.38Å; A136-T140 PolarHBondContact O-OG1 2.86Å; G137-T140 PolarHBondContact O-N 2.73Å; T140-A142 VanDerWaalsContact C-N 3.32Å; T140-A142 PolarHBondContact O-N 2.94Å; T140-A143 PolarHBondContact O-N 2.95Å; T140-A143 VanDerWaalsContact O-N 3.13Å; T140-L144 HydrophobicContact CG2-CD1 4.27Å; T140-L144 HydrophobicContact CG2-CG 4.48Å; T140-L144 PolarHBondContact O-N 3.2Å |
| 141 | S | 58 | Low | 64 | Low | 79 Ų | 79 | 85.3 Ų | 85.3 | 55% | 0.552 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.6 | -36.7 | 177.6 | -163.6 | 0 | 0 | 0 | 0 | 111.5 | G137 S145 | G137-S141 WeakPolarHBondContact O-CB 3.31Å; G137-S141 PolarHBondContact O-N 3.22Å; S141-S145 WeakPolarHBondContact O-CB 3.48Å; S141-S145 PolarHBondContact O-N 3.04Å |
| 142 | A | 61.6 | Low | 64.1 | Low | 60 Ų | 60 | 83.4 Ų | 83.4 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -38.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q138 T140 T146 | Q138-A142 PolarHBondContact O-N 3.13Å; T140-A142 VanDerWaalsContact C-N 3.32Å; T140-A142 PolarHBondContact O-N 2.94Å; A142-T146 PolarHBondContact O-N 3.32Å; A142-T146 PolarHBondContact O-OG1 2.89Å |
| 143 | A | 58.9 | Low | 64.5 | Low | 53 Ų | 53 | 86.9 Ų | 86.9 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.9 | -42.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K139 T140 T146 V147 | K139-A143 PolarHBondContact O-N 3.48Å; T140-A143 PolarHBondContact O-N 2.95Å; T140-A143 VanDerWaalsContact O-N 3.13Å; A143-T146 WeakPolarHBondContact O-CB 3.46Å; A143-T146 PolarHBondContact O-N 3.45Å; A143-V147 WeakPolarHBondContact O-CG2 3.24Å; A143-V147 PolarHBondContact O-N 2.85Å |
| 144 | L | 62 | Low | 64.6 | Low | 119 Ų | 119 | 88.3 Ų | 88.3 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -36.9 | 176.2 | -78.8 | 175 | 0 | 0 | 0 | 112.5 | T140 T146 V147 G148 | T140-L144 HydrophobicContact CG2-CD1 4.27Å; T140-L144 HydrophobicContact CG2-CG 4.48Å; T140-L144 PolarHBondContact O-N 3.2Å; L144-T146 VanDerWaalsContact C-N 3.29Å; L144-T146 PolarHBondContact O-N 2.81Å; L144-V147 PolarHBondContact O-N 3.46Å; L144-G148 PolarHBondContact O-N 3.45Å |
| 145 | S | 64.4 | Low | 64.4 | Low | 73 Ų | 73 | 91 Ų | 91 | 51% | 0.51 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 173.2 | -173.7 | 0 | 0 | 0 | 0 | 112.1 | S141 S149 | S141-S145 WeakPolarHBondContact O-CB 3.48Å; S141-S145 PolarHBondContact O-N 3.04Å; S145-S149 VanDerWaalsContact O-CB 3.29Å; S145-S149 WeakPolarHBondContact O-CB 3.28Å; S145-S149 PolarHBondContact O-N 2.87Å; S145-S149 PolarHBondContact O-OG 2.81Å |
| 146 | T | 68.6 | Low | 64.6 | Low | 96 Ų | 96 | 87.1 Ų | 87.1 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -43.3 | 176.2 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | A142 A143 L144 A150 | A142-T146 PolarHBondContact O-N 3.32Å; A142-T146 PolarHBondContact O-OG1 2.89Å; A143-T146 WeakPolarHBondContact O-CB 3.46Å; A143-T146 PolarHBondContact O-N 3.45Å; L144-T146 VanDerWaalsContact C-N 3.29Å; L144-T146 PolarHBondContact O-N 2.81Å; T146-A150 PolarHBondContact O-N 3.48Å |
| 147 | V | 61 | Low | 65 | Low | 84 Ų | 84 | 89.6 Ų | 89.6 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.2 | -41.6 | 177.1 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | A143 L144 S149 A150 I151 | A143-V147 WeakPolarHBondContact O-CG2 3.24Å; A143-V147 PolarHBondContact O-N 2.85Å; L144-V147 PolarHBondContact O-N 3.46Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 3Å; V147-A150 PolarHBondContact O-N 3.4Å; V147-I151 HydrophobicContact CG1-CD1 3.88Å; V147-I151 WeakPolarHBondContact O-CG1 3.34Å; V147-I151 PolarHBondContact O-N 2.75Å; V147-I151 VanDerWaalsContact O-N 3.12Å |
| 148 | G | 69.5 | Low | 65 | Low | 33 Ų | 33 | 94.1 Ų | 94.1 | 34% | 0.34 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L144 A150 I151 S152 | L144-G148 PolarHBondContact O-N 3.45Å; G148-A150 PolarHBondContact O-N 2.91Å; G148-I151 PolarHBondContact O-N 2.86Å; G148-S152 WeakPolarHBondContact O-CB 3.09Å; G148-S152 PolarHBondContact O-N 3.18Å; G148-S152 PolarHBondContact O-OG 3.32Å |
| 149 | S | 65.6 | Low | 64.7 | Low | 49 Ų | 49 | 90.5 Ų | 90.5 | 34% | 0.343 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 175.4 | -63.5 | 0 | 0 | 0 | 0 | 113 | S145 V147 R153 | S145-S149 VanDerWaalsContact O-CB 3.29Å; S145-S149 WeakPolarHBondContact O-CB 3.28Å; S145-S149 PolarHBondContact O-N 2.87Å; S145-S149 PolarHBondContact O-OG 2.81Å; V147-S149 VanDerWaalsContact C-N 3.33Å; V147-S149 PolarHBondContact O-N 3Å; S149-R153 WeakPolarHBondContact O-CG 3.5Å; S149-R153 VanDerWaalsContact O-CZ 3.26Å; S149-R153 PolarHBondContact O-N 2.69Å; S149-R153 PolarHBondContact O-NE 3.39Å |
| 150 | A | 63.6 | Low | 64.4 | Low | 47 Ų | 47 | 88.3 Ų | 88.3 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.4 | -37.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T146 V147 G148 K154 | T146-A150 PolarHBondContact O-N 3.48Å; V147-A150 PolarHBondContact O-N 3.4Å; G148-A150 PolarHBondContact O-N 2.91Å; A150-K154 PolarHBondContact O-N 3.49Å |
| 151 | I | 65.6 | Low | 64.4 | Low | 108 Ų | 108 | 93.8 Ų | 93.8 | 55% | 0.554 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.1 | -43.5 | 177.1 | -63.8 | 166.1 | 0 | 0 | 0 | 110.7 | V147 G148 R153 K154 L155 | V147-I151 HydrophobicContact CG1-CD1 3.88Å; V147-I151 WeakPolarHBondContact O-CG1 3.34Å; V147-I151 PolarHBondContact O-N 2.75Å; V147-I151 VanDerWaalsContact O-N 3.12Å; G148-I151 PolarHBondContact O-N 2.86Å; I151-R153 VanDerWaalsContact C-N 3.3Å; I151-R153 PolarHBondContact O-N 3.28Å; I151-K154 PolarHBondContact O-N 2.8Å; I151-K154 VanDerWaalsContact O-N 3.14Å; I151-L155 PolarHBondContact O-N 2.93Å |
| 152 | S | 65.9 | Low | 64.3 | Low | 85 Ų | 85 | 96.2 Ų | 96.2 | 59% | 0.594 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.9 | -36.8 | 176.2 | -73.2 | 0 | 0 | 0 | 0 | 112.7 | G148 G156 | G148-S152 WeakPolarHBondContact O-CB 3.09Å; G148-S152 PolarHBondContact O-N 3.18Å; G148-S152 PolarHBondContact O-OG 3.32Å; S152-G156 PolarHBondContact O-N 3.36Å |
| 153 | R | 71.8 | Confident | 63.9 | Low | 159 Ų | 159 | 101 Ų | 101 | 60% | 0.6 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 173 | -75.6 | -178 | -70.4 | -103.8 | 2.2 | 112.3 | S149 I151 L155 G156 D157 | S149-R153 WeakPolarHBondContact O-CG 3.5Å; S149-R153 VanDerWaalsContact O-CZ 3.26Å; S149-R153 PolarHBondContact O-N 2.69Å; S149-R153 PolarHBondContact O-NE 3.39Å; I151-R153 VanDerWaalsContact C-N 3.3Å; I151-R153 PolarHBondContact O-N 3.28Å; R153-L155 VanDerWaalsContact C-N 3.35Å; R153-L155 PolarHBondContact O-N 2.97Å; R153-G156 PolarHBondContact O-N 2.68Å; R153-D157 PolarHBondContact O-N 3.4Å |
| 154 | K | 70.8 | Confident | 63.8 | Low | 155 Ų | 155 | 102.7 Ų | 102.7 | 67% | 0.674 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -39.6 | 176.8 | -83.1 | -71.9 | -175.1 | -160.9 | 0 | 112.7 | A150 I151 M158 | A150-K154 PolarHBondContact O-N 3.49Å; I151-K154 PolarHBondContact O-N 2.8Å; I151-K154 VanDerWaalsContact O-N 3.14Å; K154-M158 PolarHBondContact O-N 2.74Å |
| 155 | L | 64.1 | Low | 63.5 | Low | 124 Ų | 124 | 101.4 Ų | 101.4 | 65% | 0.649 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -72.1 | -38.9 | 178.9 | -162.8 | 73.3 | 0 | 0 | 0 | 111.8 | I151 R153 M158 S159 | I151-L155 PolarHBondContact O-N 2.93Å; R153-L155 VanDerWaalsContact C-N 3.35Å; R153-L155 PolarHBondContact O-N 2.97Å; L155-M158 PolarHBondContact O-N 2.68Å; L155-S159 PolarHBondContact O-N 3.36Å |
| 156 | G | 68.3 | Low | 62.7 | Low | 32 Ų | 32 | 104.5 Ų | 104.5 | 33% | 0.33 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.5 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S152 R153 M158 S159 L160 | S152-G156 PolarHBondContact O-N 3.36Å; R153-G156 PolarHBondContact O-N 2.68Å; G156-M158 VanDerWaalsContact C-N 3.33Å; G156-M158 PolarHBondContact O-N 3Å; G156-S159 PolarHBondContact O-N 2.85Å; G156-L160 PolarHBondContact O-N 2.85Å |
| 157 | D | 68 | Low | 61.6 | Low | 100 Ų | 100 | 108 Ų | 108 | 54% | 0.535 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.5 | -34.9 | 177.7 | -88 | -19.3 | 0 | 0 | 0 | 112.9 | R153 R161 | R153-D157 PolarHBondContact O-N 3.4Å; D157-R161 WeakPolarHBondContact O-CG 3.17Å; D157-R161 PolarHBondContact O-N 2.92Å; D157-R161 VanDerWaalsContact O-N 3.15Å |
| 158 | M | 63.6 | Low | 61.1 | Low | 129 Ų | 129 | 108.6 Ų | 108.6 | 64% | 0.635 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.2 | -40.3 | 174.8 | -73 | 179.4 | 57.4 | 0 | 0 | 111.8 | K154 L155 G156 R161 L162 | K154-M158 PolarHBondContact O-N 2.74Å; L155-M158 PolarHBondContact O-N 2.68Å; G156-M158 VanDerWaalsContact C-N 3.33Å; G156-M158 PolarHBondContact O-N 3Å; M158-R161 PolarHBondContact O-N 3.39Å; M158-L162 PolarHBondContact O-N 3.13Å |
| 159 | S | 60.7 | Low | 60.1 | Low | 83 Ų | 83 | 110.6 Ų | 110.6 | 58% | 0.58 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.2 | -38.2 | 177.9 | -167.3 | 0 | 0 | 0 | 0 | 112.4 | L155 G156 W163 | L155-S159 PolarHBondContact O-N 3.36Å; G156-S159 PolarHBondContact O-N 2.85Å; S159-W163 PolarHBondContact O-N 3.39Å |
| 160 | L | 60.3 | Low | 59.2 | Low | 110 Ų | 110 | 114 Ų | 114 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.5 | -38.5 | 173.8 | -80.8 | 163.5 | 0 | 0 | 0 | 112.1 | G156 W163 V164 | G156-L160 PolarHBondContact O-N 2.85Å; L160-W163 PolarHBondContact O-N 3.29Å; L160-V164 WeakPolarHBondContact O-CG2 3.43Å; L160-V164 PolarHBondContact O-N 3.12Å; L160-V164 VanDerWaalsContact O-N 3.11Å |
| 161 | R | 59.4 | Low | 58.3 | Low | 191 Ų | 191 | 117.4 Ų | 117.4 | 72% | 0.721 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65 | -41.3 | 176.4 | -79.4 | 179.9 | 164.8 | -145.4 | -4.5 | 112.5 | D157 M158 W163 V164 T165 | D157-R161 WeakPolarHBondContact O-CG 3.17Å; D157-R161 PolarHBondContact O-N 2.92Å; D157-R161 VanDerWaalsContact O-N 3.15Å; M158-R161 PolarHBondContact O-N 3.39Å; R161-W163 VanDerWaalsContact C-N 3.33Å; R161-W163 PolarHBondContact O-N 2.71Å; R161-V164 PolarHBondContact O-N 2.78Å; R161-T165 WeakPolarHBondContact O-CB 3.38Å; R161-T165 PolarHBondContact O-N 3.47Å; R161-T165 VanDerWaalsContact O-N 3.07Å; R161-T165 PolarHBondContact O-OG1 2.84Å |
| 162 | L | 56 | Low | 57.3 | Low | 131 Ų | 131 | 118.2 Ų | 118.2 | 69% | 0.686 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.3 | -43.5 | 176.6 | -124.6 | 79.7 | 0 | 0 | 0 | 111.2 | M158 V164 T165 E166 | M158-L162 PolarHBondContact O-N 3.13Å; L162-V164 PolarHBondContact O-N 2.84Å; L162-T165 PolarHBondContact O-N 3Å; L162-E166 PolarHBondContact O-N 3.45Å; L162-E166 VanDerWaalsContact O-N 3.1Å |
| 163 | W | 54 | Low | 56 | Low | 160 Ų | 160 | 119.3 Ų | 119.3 | 61% | 0.606 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.6 | -32.9 | -178.4 | -144.9 | 68.7 | 0 | 0 | 0 | 113.9 | S159 L160 R161 | S159-W163 PolarHBondContact O-N 3.39Å; L160-W163 PolarHBondContact O-N 3.29Å; R161-W163 VanDerWaalsContact C-N 3.33Å; R161-W163 PolarHBondContact O-N 2.71Å |
| 164 | V | 56.7 | Low | 54.5 | Low | 89 Ų | 89 | 119.7 Ų | 119.7 | 54% | 0.539 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -76.8 | -34.1 | 176 | 172 | 0 | 0 | 0 | 0 | 112.1 | L160 R161 L162 R167 T168 | L160-V164 WeakPolarHBondContact O-CG2 3.43Å; L160-V164 PolarHBondContact O-N 3.12Å; L160-V164 VanDerWaalsContact O-N 3.11Å; R161-V164 PolarHBondContact O-N 2.78Å; L162-V164 PolarHBondContact O-N 2.84Å; V164-R167 PolarHBondContact O-N 3.11Å; V164-T168 PolarHBondContact O-N 2.73Å; V164-T168 PolarHBondContact O-OG1 3.43Å |
| 165 | T | 55.1 | Low | 53.4 | Low | 91 Ų | 91 | 117.8 Ų | 117.8 | 56% | 0.558 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.9 | -33.4 | -179.7 | -43.6 | 0 | 0 | 0 | 0 | 111.2 | R161 L162 R167 T168 A169 | R161-T165 WeakPolarHBondContact O-CB 3.38Å; R161-T165 PolarHBondContact O-N 3.47Å; R161-T165 VanDerWaalsContact O-N 3.07Å; R161-T165 PolarHBondContact O-OG1 2.84Å; L162-T165 PolarHBondContact O-N 3Å; T165-R167 VanDerWaalsContact C-N 3.33Å; T165-R167 PolarHBondContact O-N 2.84Å; T165-T168 PolarHBondContact O-N 3Å; T165-T168 PolarHBondContact O-OG1 3.45Å; T165-A169 PolarHBondContact O-N 3.48Å |
| 166 | E | 47.7 | Very low | 52.5 | Low | 139 Ų | 139 | 121 Ų | 121 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.1 | -28.1 | 175.4 | -158 | 173.3 | 175.9 | 0 | 0 | 112.7 | L162 | L162-E166 PolarHBondContact O-N 3.45Å; L162-E166 VanDerWaalsContact O-N 3.1Å |
| 167 | R | 46.7 | Very low | 50.8 | Low | 170 Ų | 170 | 131.6 Ų | 131.6 | 64% | 0.642 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -83.5 | -16.6 | 176.4 | -93.1 | -176.6 | 151.7 | 157.3 | -4.6 | 115.5 | V164 T165 | V164-R167 PolarHBondContact O-N 3.11Å; T165-R167 VanDerWaalsContact C-N 3.33Å; T165-R167 PolarHBondContact O-N 2.84Å |
| 168 | T | 50.4 | Low | 49.3 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 58% | 0.583 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -94.4 | -20.7 | 178.1 | 33 | 0 | 0 | 0 | 0 | 113.1 | V164 T165 | V164-T168 PolarHBondContact O-N 2.73Å; V164-T168 PolarHBondContact O-OG1 3.43Å; T165-T168 PolarHBondContact O-N 3Å; T165-T168 PolarHBondContact O-OG1 3.45Å |
| 169 | A | 47.9 | Very low | 47.8 | Very low | 75 Ų | 75 | 130.6 Ų | 130.6 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -78.7 | -18.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T165 T171 | T165-A169 PolarHBondContact O-N 3.48Å; A169-T171 PolarHBondContact O-N 2.92Å |
| 170 | V | 46.8 | Very low | 46.7 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -81.2 | -10.9 | -174.9 | 171.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 171 | T | 44.3 | Very low | 45.9 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -109 | 31.2 | -173.1 | -20.4 | 0 | 0 | 0 | 0 | 115.1 | A169 | A169-T171 PolarHBondContact O-N 2.92Š|
| 172 | T | 45.8 | Very low | 44.6 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | trans | -135.6 | 70.4 | 172.4 | 55 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 173 | S | 38.3 | Very low | 44.5 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -146.1 | 100.1 | 157.5 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 174 | L | 40.4 | Very low | 43.5 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 88% | 0.88 | 74% | 0.739 | S | S | * | * | trans | 41.9 | 167.2 | 149.3 | -99.7 | 82.1 | 0 | 0 | 0 | 122.8 | ||||
| 175 | P | 46.2 | Very low | 42.5 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | cis | -128.9 | -179.2 | -32.2 | 29.1 | -7.5 | 0 | 0 | 0 | 113.9 | ||||
| 176 | Q | 46.8 | Very low | 42.1 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -56.4 | 139.8 | -178.6 | -60.6 | 167.3 | -17 | 0 | 0 | 116.8 | ||||
| 177 | R | 32.3 | Very low | 41.9 | Very low | 253 Ų | 253 | 134.7 Ų | 134.7 | 96% | 0.955 | 76% | 0.764 | S | S | * | * | trans | -166 | 142.8 | 133.3 | -138.7 | 167.9 | -177.4 | 154.6 | -0.2 | 111 | ||||
| 178 | G | 36 | Very low | 41.7 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | -79.6 | 176.1 | -161.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 179 | V | 32.4 | Very low | 41 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | 156.2 | 115.3 | 131 | 161.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 180 | V | 36.3 | Very low | 40.3 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | 49 | 109.2 | 135.8 | -175.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 181 | T | 45.5 | Very low | 40.2 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 24.1 | 124.4 | 135.5 | 75.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 182 | S | 30.2 | Very low | 40.1 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | -177.7 | 143.1 | 119.6 | -84.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 183 | P | 54.5 | Low | 39.6 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -103.8 | 145.3 | 175.3 | 37.1 | -28.1 | 0 | 0 | 0 | 112.9 | ||||
| 184 | C | 32.4 | Very low | 39.6 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 86% | 0.858 | 80% | 0.797 | S | S | * | * | trans | 152.4 | 145.9 | 158.8 | -86.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 185 | R | 35.5 | Very low | 39.3 | Very low | 237 Ų | 237 | 139.9 Ų | 139.9 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | cis | -168.3 | 154.3 | -0.5 | -173.6 | 175.3 | -166.1 | 157.2 | 2.1 | 107 | ||||
| 186 | I | 47.4 | Very low | 38.8 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | -67.6 | 157.2 | -171 | -53.2 | 154.7 | 0 | 0 | 0 | 113 | ||||
| 187 | P | 42.8 | Very low | 38.7 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | -143.1 | 127.1 | 106.8 | 28.1 | -7.5 | 0 | 0 | 0 | 116.8 | |||||
| 188 | H | 44.1 | Very low | 38.6 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | 40.1 | 154.2 | 128.2 | -26.3 | -64 | 0 | 0 | 0 | 123.8 | |||||
| 189 | L | 35 | Very low | 38.5 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 81.6 | 129 | 167.8 | -85.8 | 71.2 | 0 | 0 | 0 | 116 | ||||
| 190 | S | 32.6 | Very low | 38.4 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | cis | -159.9 | 147 | 5.7 | -75.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 191 | K | 45 | Very low | 38.6 | Very low | 200 Ų | 200 | 133.9 Ų | 133.9 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | trans | -78.6 | 155 | 161.5 | -68.6 | 176.3 | 177.5 | 174.5 | 0 | 108.8 | ||||
| 192 | P | 41.6 | Very low | 38 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | -143.2 | 133.4 | 99.2 | 37.6 | -21.7 | 0 | 0 | 0 | 112.3 | |||||
| 193 | V | 36.5 | Very low | 38.4 | Very low | 127 Ų | 127 | 137 Ų | 137 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | 75.8 | 104.4 | 99.2 | 99.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 194 | V | 39.1 | Very low | 37.8 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -103 | 117 | 160.3 | 147.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 195 | A | 33.3 | Very low | 38 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -134.9 | 118.9 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 196 | S | 35.1 | Very low | 38.1 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -62 | 159.5 | 160 | -50.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 197 | P | 44.2 | Very low | 37.8 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | -154.9 | 163 | 81 | 37.4 | -15.8 | 0 | 0 | 0 | 117.1 | |||||
| 198 | A | 30.9 | Very low | 37.7 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 44.6 | 132.5 | 134 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 199 | A | 34.9 | Very low | 37.5 | Very low | 89 Ų | 89 | 134 Ų | 134 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | 99.1 | 130.7 | 127.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 200 | E | 29.7 | Very low | 37.6 | Very low | 181 Ų | 181 | 130.5 Ų | 130.5 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | 76.3 | 109.1 | 145.3 | -80.8 | -174.4 | 91.8 | 0 | 0 | 123 | ||||
| 201 | H | 40.9 | Very low | 38 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | 40.9 | 108.1 | 111.9 | -139.1 | -74 | 0 | 0 | 0 | 117.5 | |||||
| 202 | T | 33.2 | Very low | 37.9 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -174.1 | 134 | 135 | -77.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 203 | Q | 37.8 | Very low | 38 | Very low | 173 Ų | 173 | 128.1 Ų | 128.1 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 152.1 | -179.8 | -60.1 | -150.1 | -47.9 | 0 | 0 | 113.2 | ||
| 204 | P | 41 | Very low | 38 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 118.3 | 156.2 | 31.6 | -24.6 | 0 | 0 | 0 | 111.7 | ||
| 205 | S | 37.1 | Very low | 38.2 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 134.4 | 164.7 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | S207 | S205-S207 PolarHBondContact O-N 3.44Š|
| 206 | L | 38.7 | Very low | 38.4 | Very low | 171 Ų | 171 | 129.8 Ų | 129.8 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -73.3 | 115.9 | 171.3 | -68 | 165.8 | 0 | 0 | 0 | 110 | ||||
| 207 | S | 39.5 | Very low | 38.8 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -88.4 | 117.3 | 166.9 | 169.6 | 0 | 0 | 0 | 0 | 108.8 | S205 | S205-S207 PolarHBondContact O-N 3.44Š| ||
| 208 | I | 40.7 | Very low | 38.7 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | trans | -81.5 | 112.3 | 174.3 | -67.2 | 170.6 | 0 | 0 | 0 | 107.9 | A210 | I208-A210 PolarHBondContact O-N 3.03Š| ||
| 209 | T | 39.8 | Very low | 39.5 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | -82.6 | 108.3 | 167.8 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 210 | A | 37.3 | Very low | 40.1 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | trans | -72.6 | 120.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I208 | I208-A210 PolarHBondContact O-N 3.03Š| ||
| 211 | A | 41.8 | Very low | 41 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -85.9 | 107.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 212 | A | 42.4 | Very low | 40.7 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 79% | 0.785 | 87% | 0.872 | S | S | * | * | trans | -82.9 | 111.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 213 | L | 44.6 | Very low | 41.1 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 91% | 0.906 | 87% | 0.874 | S | S | * | * | trans | -88.8 | 105.7 | 164.9 | -89.2 | 163.5 | 0 | 0 | 0 | 108.6 | ||||
| 214 | F | 36.2 | Very low | 41.3 | Very low | 202 Ų | 202 | 128.5 Ų | 128.5 | 89% | 0.886 | 88% | 0.878 | S | S | * | * | trans | -66.3 | 121 | 162.9 | -118.2 | -99.3 | 0 | 0 | 0 | 108.9 | ||||
| 215 | S | 42.3 | Very low | 41.3 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 87% | 0.874 | 88% | 0.883 | S | S | * | * | trans | -147.2 | 111.9 | 151.2 | -152.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 216 | G | 37.6 | Very low | 41.5 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 89% | 0.888 | S | S | * | * | trans | -79 | 159.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 217 | A | 44.3 | Very low | 41.7 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 88% | 0.876 | 89% | 0.887 | S | S | * | * | trans | -159.3 | 105.8 | 144.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 218 | A | 41.9 | Very low | 41.8 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 90% | 0.901 | 90% | 0.896 | S | S | * | * | trans | -75.8 | 133.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 219 | S | 48.1 | Very low | 41.9 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 88% | 0.881 | 90% | 0.902 | S | S | * | * | trans | -147.3 | 101.3 | 155 | -163.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 220 | Q | 46.9 | Very low | 42.1 | Very low | 201 Ų | 201 | 126.1 Ų | 126.1 | 94% | 0.939 | 91% | 0.91 | S | S | * | * | trans | -83.6 | 135.8 | 164 | -83.6 | -179.2 | 26.4 | 0 | 0 | 108.4 | ||||
| 221 | G | 48.4 | Very low | 42.5 | Very low | 84 Ų | 84 | 129 Ų | 129 | 87% | 0.866 | 92% | 0.924 | S | S | * | * | trans | -173.5 | 107.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 222 | G | 35.3 | Very low | 42.5 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 100% | 1.619 | 93% | 0.933 | S | S | * | * | trans | 141.7 | 0 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 |
Retrieved 222 of 222 residues in 964.4 ms
(Link to these results)