| 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 | 41.6 | Very low | 40.6 | Very low | 239 Ų | 239 | 156.5 Ų | 156.5 | 100% | 1.177 | 87% | 0.874 | S | S | * | * | 0 | 145.7 | 0 | -70.5 | -162.6 | -179.3 | 0 | 0 | 108.2 | |||||
| 2 | Q | 35.9 | Very low | 40.6 | Very low | 186 Ų | 186 | 153.1 Ų | 153.1 | 87% | 0.869 | 87% | 0.868 | S | S | * | * | trans | 92.8 | 91.6 | -178.7 | -59.3 | -177.6 | 8 | 0 | 0 | 115.1 | ||||
| 3 | F | 35.9 | Very low | 40.4 | Very low | 216 Ų | 216 | 152.3 Ų | 152.3 | 95% | 0.947 | 87% | 0.868 | S | S | * | * | trans | -83.5 | 137.9 | 155.1 | -67.1 | -87.7 | 0 | 0 | 0 | 107.9 | ||||
| 4 | T | 46.3 | Very low | 40.3 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 85% | 0.853 | 85% | 0.854 | S | S | * | * | trans | -120.2 | 129.4 | 171.8 | -24 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 5 | S | 36.9 | Very low | 40.5 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 80% | 0.797 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 145.4 | -168.3 | -81.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 6 | I | 51.6 | Low | 40.8 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 81% | 0.805 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 122.3 | 157.4 | -64.7 | 167.5 | 0 | 0 | 0 | 106.8 | ||
| 7 | S | 39.3 | Very low | 40.7 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 120.6 | 175.1 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | ||
| 8 | N | 40.1 | Very low | 40.6 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 79% | 0.786 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 120.7 | 163 | -91.8 | 49.1 | 0 | 0 | 0 | 109.1 | ||
| 9 | A | 40.6 | Very low | 40.5 | Very low | 99 Ų | 99 | 139.9 Ų | 139.9 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 119.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 10 | L | 37.7 | Very low | 40.6 | Very low | 169 Ų | 169 | 141.8 Ų | 141.8 | 89% | 0.885 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -91 | 121.6 | 167.2 | -77.6 | 161.6 | 0 | 0 | 0 | 108.2 | ||
| 11 | T | 40.6 | Very low | 40.6 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -111.9 | 120.2 | 161.2 | 45.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 12 | S | 41.3 | Very low | 40.5 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -68.8 | 138.4 | 175.4 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 13 | T | 37.5 | Very low | 40.6 | Very low | 143 Ų | 143 | 133.1 Ų | 133.1 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -145.5 | 138.1 | 154.4 | -77.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 14 | A | 38.8 | Very low | 40.8 | Very low | 80 Ų | 80 | 129.1 Ų | 129.1 | 66% | 0.661 | 81% | 0.809 | S | S | * | * | trans | -67 | 151.1 | -157 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 15 | A | 44 | Very low | 40.7 | Very low | 103 Ų | 103 | 129 Ų | 129 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -68.4 | 134 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 16 | I | 44.9 | Very low | 40.8 | Very low | 164 Ų | 164 | 129.4 Ų | 129.4 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -145.1 | 113.1 | 164.7 | -31.6 | 173.1 | 0 | 0 | 0 | 109 | ||||
| 17 | G | 38.7 | Very low | 40.7 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | 60.9 | 98.7 | 147 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 18 | L | 38.3 | Very low | 40.8 | Very low | 150 Ų | 150 | 127 Ų | 127 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -80.5 | 110.3 | 155.7 | -77.6 | 160.9 | 0 | 0 | 0 | 109.3 | F20 | L18-F20 HydrophobicContact CB-CE1 3.9Å; L18-F20 HydrophobicContact CB-CZ 3.88Å; L18-F20 HydrophobicContact CD2-CE1 4.39Å | ||
| 19 | S | 39.1 | Very low | 40.9 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -112.7 | 116.8 | 164 | -72.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 20 | F | 42.9 | Very low | 41 | Very low | 177 Ų | 177 | 129.3 Ų | 129.3 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -89.3 | 111.1 | 176.4 | -25.4 | -87.6 | 0 | 0 | 0 | 107.8 | L18 | L18-F20 HydrophobicContact CB-CE1 3.9Å; L18-F20 HydrophobicContact CB-CZ 3.88Å; L18-F20 HydrophobicContact CD2-CE1 4.39Å | ||
| 21 | T | 40 | Very low | 41.2 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -116.4 | 123.3 | 166.5 | 54.3 | 0 | 0 | 0 | 0 | 108.7 | S23 | T21-S23 PolarHBondContact O-N 3.04Š| ||
| 22 | T | 39.9 | Very low | 41.5 | Very low | 141 Ų | 141 | 125 Ų | 125 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | trans | -45.8 | 123.8 | 178.1 | -43.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 23 | S | 38.6 | Very low | 41.7 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | -88.7 | 115.9 | 175.8 | -131.4 | 0 | 0 | 0 | 0 | 109.5 | T21 | T21-S23 PolarHBondContact O-N 3.04Š| ||
| 24 | T | 39.1 | Very low | 42.2 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -76.2 | 124.2 | 165.1 | -3.8 | 0 | 0 | 0 | 0 | 108.7 | T26 | T24-T26 PolarHBondContact O-N 3.4Š| ||
| 25 | T | 45.8 | Very low | 42.6 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | -76.3 | 105.4 | 178.8 | -37.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 26 | T | 38.6 | Very low | 43 | Very low | 122 Ų | 122 | 126.8 Ų | 126.8 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -100.3 | 114 | 163 | 11.9 | 0 | 0 | 0 | 0 | 108.6 | T24 T28 | T24-T26 PolarHBondContact O-N 3.4Å; T26-T28 PolarHBondContact O-N 3.45Å; T26-T28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | T | 48 | Very low | 42.9 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | trans | -66.8 | 102 | 169.4 | -49 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 28 | T | 41.3 | Very low | 43.8 | Very low | 93 Ų | 93 | 127.3 Ų | 127.3 | 57% | 0.571 | 74% | 0.743 | S | S | * | * | trans | -98.8 | 107.2 | 167.6 | 50.9 | 0 | 0 | 0 | 0 | 108.6 | T26 F30 | T26-T28 PolarHBondContact O-N 3.45Å; T26-T28 VanDerWaalsContact O-N 3.11Å; T28-F30 PolarHBondContact O-N 3.03Å; T28-F30 VanDerWaalsContact OG1-CE2 3.27Å; T28-F30 WeakPolarHBondContact OG1-CE2 3.45Å | ||
| 29 | T | 43.6 | Very low | 44.2 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | trans | -63.3 | 101.9 | 165.5 | -30.4 | 0 | 0 | 0 | 0 | 108 | T31 | T29-T31 PolarHBondContact O-N 3.4Å; T29-T31 VanDerWaalsContact O-N 3.14Å | ||
| 30 | F | 42.9 | Very low | 45 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 75% | 0.75 | 74% | 0.738 | S | S | * | * | trans | -80.3 | 88.7 | 171.3 | -85.3 | -84.6 | 0 | 0 | 0 | 109.1 | T28 T32 | T28-F30 PolarHBondContact O-N 3.03Å; T28-F30 VanDerWaalsContact OG1-CE2 3.27Å; T28-F30 WeakPolarHBondContact OG1-CE2 3.45Å; F30-T32 VanDerWaalsContact C-N 3.31Å; F30-T32 PolarHBondContact O-N 3.24Å | ||
| 31 | T | 41.9 | Very low | 45.3 | Very low | 115 Ų | 115 | 120 Ų | 120 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -77.9 | 86.1 | 157.9 | 32.2 | 0 | 0 | 0 | 0 | 108.6 | T29 N33 | T29-T31 PolarHBondContact O-N 3.4Å; T29-T31 VanDerWaalsContact O-N 3.14Å; T31-N33 PolarHBondContact O-N 2.93Å | ||
| 32 | T | 46.1 | Very low | 46 | Very low | 103 Ų | 103 | 121.1 Ų | 121.1 | 63% | 0.632 | 73% | 0.726 | S | S | * | * | trans | -72.9 | 83.6 | 163.1 | 37.9 | 0 | 0 | 0 | 0 | 109.2 | F30 T34 | F30-T32 VanDerWaalsContact C-N 3.31Å; F30-T32 PolarHBondContact O-N 3.24Å; T32-T34 PolarHBondContact O-N 3.08Å | ||
| 33 | N | 45.5 | Very low | 46.7 | Very low | 142 Ų | 142 | 120.4 Ų | 120.4 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | trans | -74.9 | 79.7 | 158 | -74 | 0.5 | 0 | 0 | 0 | 107.6 | T31 T35 | T31-N33 PolarHBondContact O-N 2.93Å; N33-T35 PolarHBondContact O-N 3.03Å | ||
| 34 | T | 49.1 | Very low | 47.5 | Very low | 112 Ų | 112 | 118.1 Ų | 118.1 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | trans | -77.8 | 76.6 | 172.1 | -17.7 | 0 | 0 | 0 | 0 | 108.4 | T32 T36 | T32-T34 PolarHBondContact O-N 3.08Å; T34-T36 VanDerWaalsContact C-N 3.3Å; T34-T36 HydrophobicContact CG2-CG2 4.22Å; T34-T36 PolarHBondContact O-N 2.8Å | ||
| 35 | T | 46 | Very low | 48.1 | Very low | 115 Ų | 115 | 118.5 Ų | 118.5 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | -80.5 | 85.6 | 162.1 | -53.9 | 0 | 0 | 0 | 0 | 107.4 | N33 T37 | N33-T35 PolarHBondContact O-N 3.03Å; T35-T37 VanDerWaalsContact C-N 3.34Å; T35-T37 PolarHBondContact O-N 3.01Å; T35-T37 VanDerWaalsContact O-N 3.12Å | ||
| 36 | T | 52.1 | Low | 48.2 | Very low | 109 Ų | 109 | 118.8 Ų | 118.8 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | trans | -76.9 | 89.9 | 165.4 | 43.6 | 0 | 0 | 0 | 0 | 108.4 | T34 I38 | T34-T36 VanDerWaalsContact C-N 3.3Å; T34-T36 HydrophobicContact CG2-CG2 4.22Å; T34-T36 PolarHBondContact O-N 2.8Å; T36-I38 PolarHBondContact O-N 3.33Å; T36-I38 VanDerWaalsContact O-N 3.1Å | ||
| 37 | T | 43.7 | Very low | 48.6 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | trans | -70.6 | 98.7 | 164 | -48 | 0 | 0 | 0 | 0 | 107.6 | T35 T39 | T35-T37 VanDerWaalsContact C-N 3.34Å; T35-T37 PolarHBondContact O-N 3.01Å; T35-T37 VanDerWaalsContact O-N 3.12Å; T37-T39 PolarHBondContact O-N 3.46Å; T37-T39 VanDerWaalsContact O-N 3.11Å | ||
| 38 | I | 56.9 | Low | 48.4 | Very low | 134 Ų | 134 | 121 Ų | 121 | 69% | 0.687 | 69% | 0.688 | S | S | * | * | trans | -79.3 | 89.4 | 171.6 | -23.6 | 175.7 | 0 | 0 | 0 | 106.6 | T36 S40 | T36-I38 PolarHBondContact O-N 3.33Å; T36-I38 VanDerWaalsContact O-N 3.1Å; I38-S40 PolarHBondContact O-N 3.49Å | ||
| 39 | T | 47.8 | Very low | 48.4 | Very low | 120 Ų | 120 | 124 Ų | 124 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | trans | -77.3 | 83.4 | 167.3 | -56.4 | 0 | 0 | 0 | 0 | 107.7 | T37 G41 | T37-T39 PolarHBondContact O-N 3.46Å; T37-T39 VanDerWaalsContact O-N 3.11Å; T39-G41 PolarHBondContact O-N 3.01Å | ||
| 40 | S | 55.3 | Low | 48.2 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | trans | -69 | 90.2 | 160.7 | -72.6 | 0 | 0 | 0 | 0 | 107.5 | I38 F42 | I38-S40 PolarHBondContact O-N 3.49Å; S40-F42 PolarHBondContact O-N 3.48Å | ||
| 41 | G | 49.4 | Very low | 48.4 | Very low | 62 Ų | 62 | 120.5 Ų | 120.5 | 64% | 0.639 | 70% | 0.702 | S | S | * | * | trans | -67.1 | 79.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T39 T43 | T39-G41 PolarHBondContact O-N 3.01Å; G41-T43 PolarHBondContact O-N 2.94Å; G41-T43 VanDerWaalsContact O-N 3.07Å | ||
| 42 | F | 55.5 | Low | 48.5 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | trans | -75.6 | 91.3 | 170.8 | -175.6 | -111.6 | 0 | 0 | 0 | 108.5 | S40 V44 | S40-F42 PolarHBondContact O-N 3.48Å; F42-V44 HydrophobicContact CD1-CG2 3.62Å; F42-V44 HydrophobicContact CE1-CB 4.49Å; F42-V44 HydrophobicContact CE1-CG2 2.99Å; F42-V44 HydrophobicContact CE2-CG2 4.23Å; F42-V44 HydrophobicContact CG-CG2 4.47Å; F42-V44 HydrophobicContact CZ-CG2 3.35Å | ||
| 43 | T | 53.3 | Low | 48.4 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | trans | -95.3 | 96.8 | 170.8 | 33.2 | 0 | 0 | 0 | 0 | 108.4 | G41 N45 | G41-T43 PolarHBondContact O-N 2.94Å; G41-T43 VanDerWaalsContact O-N 3.07Å; T43-N45 PolarHBondContact O-N 3.35Å; T43-N45 VanDerWaalsContact O-N 3.12Å | ||
| 44 | V | 55.1 | Low | 48.4 | Very low | 66 Ų | 66 | 127 Ų | 127 | 40% | 0.4 | 71% | 0.713 | S | S | . | * | trans | -69.4 | 105.3 | 164 | -169.2 | 0 | 0 | 0 | 0 | 106.7 | F42 Q46 | F42-V44 HydrophobicContact CD1-CG2 3.62Å; F42-V44 HydrophobicContact CE1-CB 4.49Å; F42-V44 HydrophobicContact CE1-CG2 2.99Å; F42-V44 HydrophobicContact CE2-CG2 4.23Å; F42-V44 HydrophobicContact CG-CG2 4.47Å; F42-V44 HydrophobicContact CZ-CG2 3.35Å; V44-Q46 HydrophobicContact CG1-CB 4.41Å; V44-Q46 HydrophobicContact CG1-CG 3.73Å; V44-Q46 PolarHBondContact O-N 3.44Å | ||
| 45 | N | 52.3 | Low | 48.3 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | trans | -68.7 | 79.3 | 157.2 | -103.1 | -70.1 | 0 | 0 | 0 | 107 | T43 N47 | T43-N45 PolarHBondContact O-N 3.35Å; T43-N45 VanDerWaalsContact O-N 3.12Å; N45-N47 VanDerWaalsContact C-N 3.27Å; N45-N47 PolarHBondContact O-N 2.96Å; N45-N47 VanDerWaalsContact O-N 3.09Å | ||
| 46 | Q | 47.7 | Very low | 48.2 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | trans | -68.8 | 99.2 | 156.8 | -90.9 | 179.8 | 92.3 | 0 | 0 | 104.6 | V44 Q48 | V44-Q46 HydrophobicContact CG1-CB 4.41Å; V44-Q46 HydrophobicContact CG1-CG 3.73Å; V44-Q46 PolarHBondContact O-N 3.44Å; Q46-Q48 HydrophobicContact CB-CG 4.45Å; Q46-Q48 PolarHBondContact O-N 2.91Å | ||
| 47 | N | 47.3 | Very low | 48.2 | Very low | 137 Ų | 137 | 135 Ų | 135 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | trans | -59.2 | 91.9 | 154.7 | -69.6 | 28 | 0 | 0 | 0 | 105 | N45 L49 | N45-N47 VanDerWaalsContact C-N 3.27Å; N45-N47 PolarHBondContact O-N 2.96Å; N45-N47 VanDerWaalsContact O-N 3.09Å; N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 3.36Å | ||
| 48 | Q | 44.3 | Very low | 48.4 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | trans | -61.6 | 96.9 | 176.8 | -73.3 | -175.7 | -5 | 0 | 0 | 106.9 | Q46 S50 | Q46-Q48 HydrophobicContact CB-CG 4.45Å; Q46-Q48 PolarHBondContact O-N 2.91Å; Q48-S50 VanDerWaalsContact C-N 3.29Å; Q48-S50 PolarHBondContact O-N 3.5Å | ||
| 49 | L | 40.2 | Very low | 48.1 | Very low | 157 Ų | 157 | 133 Ų | 133 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -61.3 | 102.4 | 157.7 | -90 | 122.7 | 0 | 0 | 0 | 106 | N47 S51 | N47-L49 VanDerWaalsContact C-N 3.3Å; N47-L49 PolarHBondContact O-N 3.36Å; L49-S51 PolarHBondContact O-N 2.96Å | ||
| 50 | S | 40 | Very low | 47.7 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -61.7 | 87.7 | 162.4 | -66.2 | 0 | 0 | 0 | 0 | 107.1 | Q48 R52 | Q48-S50 VanDerWaalsContact C-N 3.29Å; Q48-S50 PolarHBondContact O-N 3.5Å; S50-R52 PolarHBondContact O-N 3.39Å; S50-R52 VanDerWaalsContact O-N 3.08Å | ||
| 51 | S | 46.1 | Very low | 47 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -61.1 | 108.8 | 158.2 | 179.1 | 0 | 0 | 0 | 0 | 106 | L49 G53 | L49-S51 PolarHBondContact O-N 2.96Å; S51-G53 PolarHBondContact O-N 3.33Å | ||
| 52 | R | 45.1 | Very low | 46.9 | Very low | 237 Ų | 237 | 140.4 Ų | 140.4 | 89% | 0.894 | 75% | 0.746 | S | S | * | * | trans | -67.3 | 76.9 | 168.5 | -106.6 | 179.2 | 177 | -161.3 | -0.4 | 107.5 | S50 | S50-R52 PolarHBondContact O-N 3.39Å; S50-R52 VanDerWaalsContact O-N 3.08Å | ||
| 53 | G | 43.3 | Very low | 46.1 | Very low | 51 Ų | 51 | 138.9 Ų | 138.9 | 53% | 0.526 | 75% | 0.749 | S | S | . | * | trans | -66 | 131.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | S51 E55 | S51-G53 PolarHBondContact O-N 3.33Å; G53-E55 PolarHBondContact O-N 2.98Å | ||
| 54 | F | 46.3 | Very low | 45.8 | Very low | 210 Ų | 210 | 139.9 Ų | 139.9 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -57.8 | 97.7 | -179 | -59.9 | -92.9 | 0 | 0 | 0 | 112 | N56 | F54-N56 PolarHBondContact O-N 2.93Š| ||
| 55 | E | 46 | Very low | 45.1 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | -88 | 94 | 163.2 | -70.2 | -169 | -164.1 | 0 | 0 | 109.3 | G53 | G53-E55 PolarHBondContact O-N 2.98Š| ||
| 56 | N | 43.8 | Very low | 45 | Very low | 130 Ų | 130 | 141 Ų | 141 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | -143.7 | 75.6 | 164.7 | -122.9 | 73.5 | 0 | 0 | 0 | 109.3 | F54 V58 | F54-N56 PolarHBondContact O-N 2.93Å; N56-V58 PolarHBondContact O-N 3.47Å | ||
| 57 | L | 52.3 | Low | 44.8 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 97% | 0.969 | 77% | 0.771 | S | S | * | * | trans | -78.1 | 93.7 | 167.6 | -73.9 | 163.3 | 0 | 0 | 0 | 108.9 | ||||
| 58 | V | 49.3 | Very low | 44.9 | Very low | 80 Ų | 80 | 137 Ų | 137 | 49% | 0.485 | 77% | 0.77 | S | S | . | * | trans | -121.5 | 132.6 | 164.4 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | N56 Y60 | N56-V58 PolarHBondContact O-N 3.47Å; V58-Y60 VanDerWaalsContact O-CD2 3.3Å; V58-Y60 WeakPolarHBondContact O-CD2 3.45Å; V58-Y60 PolarHBondContact O-N 2.87Å | ||
| 59 | P | 50.2 | Low | 45.1 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | trans | -75.5 | 112.8 | 179.7 | 25.4 | -23 | 0 | 0 | 0 | 109.6 | T61 | P59-T61 PolarHBondContact O-N 3.48Š| ||
| 60 | Y | 39.7 | Very low | 45.9 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | -82.5 | 110 | 174.9 | -68.1 | -84.3 | 0 | 0 | 0 | 110.1 | V58 | V58-Y60 VanDerWaalsContact O-CD2 3.3Å; V58-Y60 WeakPolarHBondContact O-CD2 3.45Å; V58-Y60 PolarHBondContact O-N 2.87Å | ||
| 61 | T | 40.3 | Very low | 47 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -73.4 | 125.5 | 157 | 49 | 0 | 0 | 0 | 0 | 108.2 | P59 T63 | P59-T61 PolarHBondContact O-N 3.48Å; T61-T63 PolarHBondContact O-N 3.24Å | ||
| 62 | S | 47.8 | Very low | 47.9 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -69.2 | 98.4 | 178.5 | -65.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 63 | T | 38 | Very low | 49.7 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | trans | -105.9 | 118.3 | 153.4 | 54.4 | 0 | 0 | 0 | 0 | 107.7 | T61 S65 | T61-T63 PolarHBondContact O-N 3.24Å; T63-S65 VanDerWaalsContact C-N 3.29Å; T63-S65 PolarHBondContact O-N 2.9Å | ||
| 64 | V | 46.9 | Very low | 51.4 | Low | 148 Ų | 148 | 131.3 Ų | 131.3 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | trans | -68.6 | 91.4 | 175 | 174.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 65 | S | 39.7 | Very low | 53.3 | Low | 90 Ų | 90 | 123.7 Ų | 123.7 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | trans | -88.9 | 132 | 160.4 | -171.4 | 0 | 0 | 0 | 0 | 107.3 | T63 V67 | T63-S65 VanDerWaalsContact C-N 3.29Å; T63-S65 PolarHBondContact O-N 2.9Å; S65-V67 VanDerWaalsContact C-N 3.28Å; S65-V67 PolarHBondContact O-N 2.83Å | ||
| 66 | V | 50.1 | Low | 55.2 | Low | 139 Ų | 139 | 120.7 Ų | 120.7 | 84% | 0.842 | 70% | 0.704 | S | S | * | * | trans | -62.8 | 92.1 | 175.6 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | A68 | V66-A68 PolarHBondContact O-N 2.93Š| ||
| 67 | V | 44.5 | Very low | 57.3 | Low | 111 Ų | 111 | 118.3 Ų | 118.3 | 67% | 0.673 | 69% | 0.691 | S | S | * | * | trans | -70.3 | 110.4 | 171.3 | 172.6 | 0 | 0 | 0 | 0 | 105.9 | S65 T69 | S65-V67 VanDerWaalsContact C-N 3.28Å; S65-V67 PolarHBondContact O-N 2.83Å; V67-T69 PolarHBondContact O-N 3.2Å | ||
| 68 | A | 49 | Very low | 59 | Low | 86 Ų | 86 | 113 Ų | 113 | 71% | 0.711 | 66% | 0.661 | S | S | * | * | trans | -50.9 | 109.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | V66 P70 | V66-A68 PolarHBondContact O-N 2.93Å; A68-P70 WeakPolarHBondContact O-CD 3.49Å | ||
| 69 | T | 47.7 | Very low | 61 | Low | 113 Ų | 113 | 111 Ų | 111 | 69% | 0.693 | 66% | 0.656 | S | S | * | * | trans | -56.9 | 115.3 | 175.7 | 37.1 | 0 | 0 | 0 | 0 | 106.4 | V67 V71 | V67-T69 PolarHBondContact O-N 3.2Å; T69-V71 VanDerWaalsContact C-N 3.32Å; T69-V71 PolarHBondContact O-N 2.8Å | ||
| 70 | P | 58 | Low | 63 | Low | 113 Ų | 113 | 108.5 Ų | 108.5 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | trans | -63.9 | 104.5 | 173.3 | 25.1 | -30 | 0 | 0 | 0 | 105.8 | A68 M72 | A68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-M72 VanDerWaalsContact C-N 3.3Å; P70-M72 PolarHBondContact O-N 3.41Å | ||
| 71 | V | 62.2 | Low | 65.4 | Low | 124 Ų | 124 | 103.7 Ų | 103.7 | 75% | 0.752 | 62% | 0.622 | S | S | * | * | trans | -68.1 | 98.5 | 173.4 | 177.9 | 0 | 0 | 0 | 0 | 105.2 | T69 T73 | T69-V71 VanDerWaalsContact C-N 3.32Å; T69-V71 PolarHBondContact O-N 2.8Å; V71-T73 PolarHBondContact O-N 3.01Å | ||
| 72 | M | 65.7 | Low | 68 | Low | 85 Ų | 85 | 102 Ų | 102 | 42% | 0.419 | 61% | 0.609 | S | S | . | * | trans | -50.7 | 115.2 | 172.2 | -88.6 | -71.4 | -77.8 | 0 | 0 | 107.9 | P70 H76 L77 L80 | P70-M72 VanDerWaalsContact C-N 3.3Å; P70-M72 PolarHBondContact O-N 3.41Å; M72-H76 HydrophobicContact CE-CB 3.5Å; M72-H76 HydrophobicContact SD-CB 3.72Å; M72-L77 HydrophobicContact CB-CG 4.24Å; M72-L77 HydrophobicContact CE-CB 4.46Å; M72-L77 HydrophobicContact CE-CD2 3.64Å; M72-L77 HydrophobicContact CE-CG 3.8Å; M72-L80 HydrophobicContact CE-CD1 3.56Å | ||
| 73 | T | 82.4 | Confident | 70.2 | Confident | 91 Ų | 91 | 102.2 Ų | 102.2 | 56% | 0.558 | 60% | 0.596 | S | S | * | * | trans | -67.8 | 141.6 | 173.7 | -45.9 | 0 | 0 | 0 | 0 | 107.4 | V71 G75 H76 L77 | V71-T73 PolarHBondContact O-N 3.01Å; T73-G75 PolarHBondContact O-N 3.47Å; T73-H76 WeakPolarHBondContact O-CB 3.46Å; T73-H76 PolarHBondContact O-N 2.86Å; T73-L77 PolarHBondContact O-N 3.32Å | ||
| 74 | Y | 79.8 | Confident | 73 | Confident | 180 Ų | 180 | 105.2 Ų | 105.2 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -49.3 | -35.8 | 179.1 | -175.3 | -102 | 0 | 0 | 0 | 112.8 | H76 L77 E78 | Y74-H76 PolarHBondContact O-N 3.2Å; Y74-L77 PolarHBondContact O-N 3.48Å; Y74-E78 WeakPolarHBondContact O-CB 3.28Å; Y74-E78 PolarHBondContact O-N 3.19Å |
| 75 | G | 84.9 | Confident | 75.3 | Confident | 51 Ų | 51 | 103 Ų | 103 | 53% | 0.526 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.1 | -30 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | T73 G79 | T73-G75 PolarHBondContact O-N 3.47Å; G75-G79 PolarHBondContact O-N 3.38Å |
| 76 | H | 86.9 | Confident | 78 | Confident | 125 Ų | 125 | 104.6 Ų | 104.6 | 58% | 0.579 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.7 | -35.7 | 173.5 | -77.8 | 89.1 | 0 | 0 | 0 | 111.8 | M72 T73 Y74 G79 L80 | M72-H76 HydrophobicContact CE-CB 3.5Å; M72-H76 HydrophobicContact SD-CB 3.72Å; T73-H76 WeakPolarHBondContact O-CB 3.46Å; T73-H76 PolarHBondContact O-N 2.86Å; Y74-H76 PolarHBondContact O-N 3.2Å; H76-G79 PolarHBondContact O-N 3.26Å; H76-L80 WeakPolarHBondContact O-CG 3.26Å; H76-L80 PolarHBondContact O-N 3.45Å; H76-L80 VanDerWaalsContact O-N 3.08Å |
| 77 | L | 87.8 | Confident | 80.3 | Confident | 79 Ų | 79 | 102.7 Ų | 102.7 | 41% | 0.414 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66 | -44.5 | 173.1 | -74.8 | 172.5 | 0 | 0 | 0 | 110.8 | M72 T73 Y74 G79 L80 I81 | M72-L77 HydrophobicContact CB-CG 4.24Å; M72-L77 HydrophobicContact CE-CB 4.46Å; M72-L77 HydrophobicContact CE-CD2 3.64Å; M72-L77 HydrophobicContact CE-CG 3.8Å; T73-L77 PolarHBondContact O-N 3.32Å; Y74-L77 PolarHBondContact O-N 3.48Å; L77-G79 VanDerWaalsContact C-N 3.28Å; L77-G79 PolarHBondContact O-N 2.83Å; L77-L80 PolarHBondContact O-N 3.3Å; L77-I81 WeakPolarHBondContact O-CB 3.41Å; L77-I81 WeakPolarHBondContact O-CD1 3.47Å; L77-I81 VanDerWaalsContact O-CG1 3.24Å; L77-I81 WeakPolarHBondContact O-CG1 3.46Å; L77-I81 PolarHBondContact O-N 2.87Å |
| 78 | E | 87.3 | Confident | 82.8 | Confident | 74 Ų | 74 | 103.1 Ų | 103.1 | 35% | 0.346 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.8 | -38.4 | 176.1 | -169.1 | 60.3 | -143.1 | 0 | 0 | 111.8 | Y74 I81 N82 | Y74-E78 WeakPolarHBondContact O-CB 3.28Å; Y74-E78 PolarHBondContact O-N 3.19Å; E78-I81 PolarHBondContact O-N 2.75Å; E78-N82 WeakPolarHBondContact O-CB 3.46Å; E78-N82 PolarHBondContact O-N 2.77Å; E78-N82 PolarHBondContact O-ND2 2.78Å; E78-N82 PolarHBondContact OE1-ND2 2.97Å |
| 79 | G | 91.1 | Very high | 85 | Confident | 37 Ų | 37 | 105 Ų | 105 | 38% | 0.381 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.8 | -49.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G75 H76 L77 I81 N82 E83 | G75-G79 PolarHBondContact O-N 3.38Å; H76-G79 PolarHBondContact O-N 3.26Å; L77-G79 VanDerWaalsContact C-N 3.28Å; L77-G79 PolarHBondContact O-N 2.83Å; G79-I81 PolarHBondContact O-N 2.84Å; G79-N82 PolarHBondContact O-N 2.82Å; G79-E83 WeakPolarHBondContact O-CB 3.24Å; G79-E83 PolarHBondContact O-N 2.98Å |
| 80 | L | 92.6 | Very high | 87.3 | Confident | 72 Ų | 72 | 102.7 Ų | 102.7 | 38% | 0.377 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 177.2 | -74.4 | 168.5 | 0 | 0 | 0 | 112.6 | M72 H76 L77 E83 W84 | M72-L80 HydrophobicContact CE-CD1 3.56Å; H76-L80 WeakPolarHBondContact O-CG 3.26Å; H76-L80 PolarHBondContact O-N 3.45Å; H76-L80 VanDerWaalsContact O-N 3.08Å; L77-L80 PolarHBondContact O-N 3.3Å; L80-E83 PolarHBondContact O-N 3.23Å; L80-W84 PolarHBondContact O-N 2.87Å |
| 81 | I | 91.2 | Very high | 89.2 | Confident | 91 Ų | 91 | 101.5 Ų | 101.5 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 176.8 | -72.3 | 162.8 | 0 | 0 | 0 | 110.1 | L77 E78 G79 E83 N85 | L77-I81 WeakPolarHBondContact O-CB 3.41Å; L77-I81 WeakPolarHBondContact O-CD1 3.47Å; L77-I81 VanDerWaalsContact O-CG1 3.24Å; L77-I81 WeakPolarHBondContact O-CG1 3.46Å; L77-I81 PolarHBondContact O-N 2.87Å; E78-I81 PolarHBondContact O-N 2.75Å; G79-I81 PolarHBondContact O-N 2.84Å; I81-E83 VanDerWaalsContact C-N 3.34Å; I81-E83 PolarHBondContact O-N 3.01Å; I81-N85 VanDerWaalsContact O-CB 3.26Å; I81-N85 WeakPolarHBondContact O-CB 3.45Å; I81-N85 PolarHBondContact O-N 2.95Å |
| 82 | N | 93.7 | Very high | 90.8 | Very high | 88 Ų | 88 | 101 Ų | 101 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 176.6 | -78 | -43.7 | 0 | 0 | 0 | 112.2 | E78 G79 N85 L86 | E78-N82 WeakPolarHBondContact O-CB 3.46Å; E78-N82 PolarHBondContact O-N 2.77Å; E78-N82 PolarHBondContact O-ND2 2.78Å; E78-N82 PolarHBondContact OE1-ND2 2.97Å; G79-N82 PolarHBondContact O-N 2.82Å; N82-N85 PolarHBondContact O-N 3.08Å; N82-L86 WeakPolarHBondContact O-CB 3.17Å; N82-L86 PolarHBondContact O-N 2.86Å |
| 83 | E | 95.8 | Very high | 92.3 | Very high | 128 Ų | 128 | 104.3 Ų | 104.3 | 60% | 0.598 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.9 | -46.2 | 177.7 | -170.8 | 170.9 | 176.6 | 0 | 0 | 112 | G79 L80 I81 N85 L86 E87 | G79-E83 WeakPolarHBondContact O-CB 3.24Å; G79-E83 PolarHBondContact O-N 2.98Å; L80-E83 PolarHBondContact O-N 3.23Å; I81-E83 VanDerWaalsContact C-N 3.34Å; I81-E83 PolarHBondContact O-N 3.01Å; E83-N85 VanDerWaalsContact C-N 3.31Å; E83-N85 PolarHBondContact O-N 2.89Å; E83-L86 PolarHBondContact O-N 3.25Å; E83-E87 WeakPolarHBondContact O-CB 3.45Å; E83-E87 PolarHBondContact O-N 3.26Å |
| 84 | W | 96.4 | Very high | 93 | Very high | 185 Ų | 185 | 105.3 Ų | 105.3 | 70% | 0.701 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -35.8 | 174.6 | -71.6 | -5.4 | 0 | 0 | 0 | 112.4 | L80 E87 L88 | L80-W84 PolarHBondContact O-N 2.87Å; W84-E87 PolarHBondContact O-N 3.11Å; W84-L88 VanDerWaalsContact O-CB 3.29Å; W84-L88 WeakPolarHBondContact O-CB 3.39Å; W84-L88 PolarHBondContact O-N 3.08Å |
| 85 | N | 95.1 | Very high | 93.8 | Very high | 102 Ų | 102 | 103.5 Ų | 103.5 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 176.7 | -162.6 | -3.7 | 0 | 0 | 0 | 111.2 | I81 N82 E83 L88 E89 | I81-N85 VanDerWaalsContact O-CB 3.26Å; I81-N85 WeakPolarHBondContact O-CB 3.45Å; I81-N85 PolarHBondContact O-N 2.95Å; N82-N85 PolarHBondContact O-N 3.08Å; E83-N85 VanDerWaalsContact C-N 3.31Å; E83-N85 PolarHBondContact O-N 2.89Å; N85-L88 PolarHBondContact O-N 3.37Å; N85-E89 PolarHBondContact O-N 3.48Å |
| 86 | L | 96.9 | Very high | 94.5 | Very high | 122 Ų | 122 | 105.8 Ų | 105.8 | 64% | 0.639 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 176.3 | -167.8 | 76.2 | 0 | 0 | 0 | 111.9 | N82 E83 L88 E89 D90 | N82-L86 WeakPolarHBondContact O-CB 3.17Å; N82-L86 PolarHBondContact O-N 2.86Å; E83-L86 PolarHBondContact O-N 3.25Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 2.94Å; L86-E89 PolarHBondContact O-N 3.21Å; L86-D90 PolarHBondContact O-N 3.46Å |
| 87 | E | 96.9 | Very high | 95 | Very high | 100 Ų | 100 | 105.3 Ų | 105.3 | 47% | 0.467 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 175.9 | -177 | 64.2 | -139.3 | 0 | 0 | 111 | E83 W84 D90 Q91 | E83-E87 WeakPolarHBondContact O-CB 3.45Å; E83-E87 PolarHBondContact O-N 3.26Å; W84-E87 PolarHBondContact O-N 3.11Å; E87-D90 PolarHBondContact O-N 2.83Å; E87-Q91 HydrophobicContact CG-CG 4.31Å; E87-Q91 WeakPolarHBondContact O-CB 3.45Å; E87-Q91 VanDerWaalsContact O-CG 3.26Å; E87-Q91 WeakPolarHBondContact O-CG 3.39Å; E87-Q91 PolarHBondContact O-N 3.12Å; E87-Q91 WeakPolarHBondContact OE1-CG 3.29Å; E87-Q91 PolarHBondContact OE1-NE2 3.09Å |
| 88 | L | 97.1 | Very high | 95.4 | Very high | 119 Ų | 119 | 106.9 Ų | 106.9 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -41.2 | 178.5 | -137.1 | 162.4 | 0 | 0 | 0 | 111.4 | W84 N85 L86 Q91 E92 | W84-L88 VanDerWaalsContact O-CB 3.29Å; W84-L88 WeakPolarHBondContact O-CB 3.39Å; W84-L88 PolarHBondContact O-N 3.08Å; N85-L88 PolarHBondContact O-N 3.37Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 2.94Å; L88-Q91 PolarHBondContact O-N 3.47Å; L88-E92 WeakPolarHBondContact O-CB 3.15Å; L88-E92 PolarHBondContact O-N 2.99Å |
| 89 | E | 95.8 | Very high | 95.9 | Very high | 125 Ų | 125 | 105.8 Ų | 105.8 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.2 | -40.9 | 175 | -171.6 | 175.4 | -176.2 | 0 | 0 | 111.6 | N85 L86 E92 K93 | N85-E89 PolarHBondContact O-N 3.48Å; L86-E89 PolarHBondContact O-N 3.21Å; E89-E92 PolarHBondContact O-N 3.42Å; E89-K93 PolarHBondContact O-N 3.25Å |
| 90 | D | 96.7 | Very high | 96.2 | Very high | 65 Ų | 65 | 108.6 Ų | 108.6 | 35% | 0.348 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.1 | -44.6 | 176.6 | -165 | 44.6 | 0 | 0 | 0 | 111.7 | L86 E87 E92 K93 Y94 | L86-D90 PolarHBondContact O-N 3.46Å; E87-D90 PolarHBondContact O-N 2.83Å; D90-E92 VanDerWaalsContact C-N 3.33Å; D90-E92 PolarHBondContact O-N 2.83Å; D90-K93 WeakPolarHBondContact O-CB 3.46Å; D90-K93 PolarHBondContact O-N 3.41Å; D90-Y94 WeakPolarHBondContact O-CD2 3.32Å; D90-Y94 PolarHBondContact O-N 2.98Å; D90-Y94 WeakPolarHBondContact OD1-CE2 3.26Å; D90-Y94 VanDerWaalsContact OD2-CE2 3.28Å; D90-Y94 WeakPolarHBondContact OD2-CE2 3.42Å |
| 91 | Q | 97.2 | Very high | 96.5 | Very high | 88 Ų | 88 | 109.7 Ų | 109.7 | 41% | 0.411 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 175.2 | -70.3 | -54.6 | -46.7 | 0 | 0 | 112.4 | E87 L88 K93 Y94 F95 | E87-Q91 HydrophobicContact CG-CG 4.31Å; E87-Q91 WeakPolarHBondContact O-CB 3.45Å; E87-Q91 VanDerWaalsContact O-CG 3.26Å; E87-Q91 WeakPolarHBondContact O-CG 3.39Å; E87-Q91 PolarHBondContact O-N 3.12Å; E87-Q91 WeakPolarHBondContact OE1-CG 3.29Å; E87-Q91 PolarHBondContact OE1-NE2 3.09Å; L88-Q91 PolarHBondContact O-N 3.47Å; Q91-K93 VanDerWaalsContact C-N 3.34Å; Q91-K93 PolarHBondContact O-N 3.15Å; Q91-Y94 PolarHBondContact O-N 3.47Å; Q91-F95 WeakPolarHBondContact O-CB 3.35Å; Q91-F95 PolarHBondContact O-N 2.92Å |
| 92 | E | 96.3 | Very high | 96.8 | Very high | 115 Ų | 115 | 109.3 Ų | 109.3 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58 | -48.8 | 173.8 | 178.1 | 178.8 | -164.5 | 0 | 0 | 110.5 | L88 E89 D90 Y94 F95 L96 | L88-E92 WeakPolarHBondContact O-CB 3.15Å; L88-E92 PolarHBondContact O-N 2.99Å; E89-E92 PolarHBondContact O-N 3.42Å; D90-E92 VanDerWaalsContact C-N 3.33Å; D90-E92 PolarHBondContact O-N 2.83Å; E92-Y94 VanDerWaalsContact C-N 3.34Å; E92-Y94 PolarHBondContact O-N 2.82Å; E92-F95 PolarHBondContact O-N 3.43Å; E92-L96 HydrophobicContact CG-CD1 4.02Å; E92-L96 VanDerWaalsContact O-CD1 3.25Å; E92-L96 WeakPolarHBondContact O-CD1 3.44Å; E92-L96 PolarHBondContact O-N 3.43Å |
| 93 | K | 96.8 | Very high | 97 | Very high | 153 Ų | 153 | 108.8 Ų | 108.8 | 67% | 0.665 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.2 | -43.7 | 178.5 | -177 | -176.1 | 172.8 | -173.1 | 0 | 112 | E89 D90 Q91 L96 L97 | E89-K93 PolarHBondContact O-N 3.25Å; D90-K93 WeakPolarHBondContact O-CB 3.46Å; D90-K93 PolarHBondContact O-N 3.41Å; Q91-K93 VanDerWaalsContact C-N 3.34Å; Q91-K93 PolarHBondContact O-N 3.15Å; K93-L96 PolarHBondContact O-N 3.11Å; K93-L97 PolarHBondContact O-N 3Å; K93-L97 VanDerWaalsContact O-N 3.11Å |
| 94 | Y | 96.8 | Very high | 97.1 | Very high | 113 Ų | 113 | 105 Ų | 105 | 44% | 0.443 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 176.4 | -78.7 | -66.5 | 0 | 0 | 0 | 112.6 | D90 Q91 E92 L96 L97 Q98 | D90-Y94 WeakPolarHBondContact O-CD2 3.32Å; D90-Y94 PolarHBondContact O-N 2.98Å; D90-Y94 WeakPolarHBondContact OD1-CE2 3.26Å; D90-Y94 VanDerWaalsContact OD2-CE2 3.28Å; D90-Y94 WeakPolarHBondContact OD2-CE2 3.42Å; Q91-Y94 PolarHBondContact O-N 3.47Å; E92-Y94 VanDerWaalsContact C-N 3.34Å; E92-Y94 PolarHBondContact O-N 2.82Å; Y94-L96 VanDerWaalsContact C-N 3.34Å; Y94-L96 PolarHBondContact O-N 3.35Å; Y94-L97 PolarHBondContact O-N 2.86Å; Y94-Q98 WeakPolarHBondContact O-CB 3.25Å; Y94-Q98 WeakPolarHBondContact O-CG 3.47Å; Y94-Q98 PolarHBondContact O-N 2.96Å |
| 95 | F | 97.8 | Very high | 97.1 | Very high | 142 Ų | 142 | 101.6 Ų | 101.6 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 176.9 | -179 | -99.5 | 0 | 0 | 0 | 111.2 | Q91 E92 L97 Q98 A99 | Q91-F95 WeakPolarHBondContact O-CB 3.35Å; Q91-F95 PolarHBondContact O-N 2.92Å; E92-F95 PolarHBondContact O-N 3.43Å; F95-L97 VanDerWaalsContact C-N 3.34Å; F95-L97 PolarHBondContact O-N 3.07Å; F95-Q98 PolarHBondContact O-N 3.19Å; F95-A99 WeakPolarHBondContact O-CB 3.41Å; F95-A99 PolarHBondContact O-N 3.44Å |
| 96 | L | 97.8 | Very high | 97.3 | Very high | 99 Ų | 99 | 100.7 Ų | 100.7 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 176.1 | -93.2 | 71.7 | 0 | 0 | 0 | 112.1 | E92 K93 Y94 T100 | E92-L96 HydrophobicContact CG-CD1 4.02Å; E92-L96 VanDerWaalsContact O-CD1 3.25Å; E92-L96 WeakPolarHBondContact O-CD1 3.44Å; E92-L96 PolarHBondContact O-N 3.43Å; K93-L96 PolarHBondContact O-N 3.11Å; Y94-L96 VanDerWaalsContact C-N 3.34Å; Y94-L96 PolarHBondContact O-N 3.35Å; L96-T100 PolarHBondContact O-N 3.31Å; L96-T100 VanDerWaalsContact O-N 3.08Å; L96-T100 PolarHBondContact O-OG1 3.31Å |
| 97 | L | 97.4 | Very high | 97.3 | Very high | 114 Ų | 114 | 103.1 Ų | 103.1 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -46.2 | 177.5 | -176.1 | 65.3 | 0 | 0 | 0 | 111.5 | K93 Y94 F95 T100 Q101 | K93-L97 PolarHBondContact O-N 3Å; K93-L97 VanDerWaalsContact O-N 3.11Å; Y94-L97 PolarHBondContact O-N 2.86Å; F95-L97 VanDerWaalsContact C-N 3.34Å; F95-L97 PolarHBondContact O-N 3.07Å; L97-T100 WeakPolarHBondContact O-CB 3.3Å; L97-T100 PolarHBondContact O-N 2.83Å; L97-Q101 PolarHBondContact O-N 3.23Å |
| 98 | Q | 97.8 | Very high | 97.3 | Very high | 112 Ų | 112 | 101.8 Ų | 101.8 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 177.4 | -74.4 | -179.4 | 16 | 0 | 0 | 111.5 | Y94 F95 T100 Q101 V102 | Y94-Q98 WeakPolarHBondContact O-CB 3.25Å; Y94-Q98 WeakPolarHBondContact O-CG 3.47Å; Y94-Q98 PolarHBondContact O-N 2.96Å; F95-Q98 PolarHBondContact O-N 3.19Å; Q98-T100 PolarHBondContact O-N 3.22Å; Q98-Q101 PolarHBondContact O-N 3.15Å; Q98-Q101 VanDerWaalsContact O-N 3.11Å; Q98-V102 WeakPolarHBondContact O-CG2 3.42Å; Q98-V102 PolarHBondContact O-N 3.01Å |
| 99 | A | 97.4 | Very high | 97.4 | Very high | 52 Ų | 52 | 101.9 Ų | 101.9 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.6 | -39.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F95 N103 | F95-A99 WeakPolarHBondContact O-CB 3.41Å; F95-A99 PolarHBondContact O-N 3.44Å; A99-N103 WeakPolarHBondContact O-CB 3.33Å; A99-N103 PolarHBondContact O-N 2.87Å |
| 100 | T | 97.8 | Very high | 97.5 | Very high | 96 Ų | 96 | 100 Ų | 100 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | 175.3 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | L96 L97 Q98 N103 A104 | L96-T100 PolarHBondContact O-N 3.31Å; L96-T100 VanDerWaalsContact O-N 3.08Å; L96-T100 PolarHBondContact O-OG1 3.31Å; L97-T100 WeakPolarHBondContact O-CB 3.3Å; L97-T100 PolarHBondContact O-N 2.83Å; Q98-T100 PolarHBondContact O-N 3.22Å; T100-N103 WeakPolarHBondContact O-CB 3.34Å; T100-N103 PolarHBondContact O-N 3.27Å; T100-A104 PolarHBondContact O-N 3.48Å |
| 101 | Q | 97.9 | Very high | 97.6 | Very high | 95 Ų | 95 | 102.2 Ų | 102.2 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 178.1 | -175.5 | 173.7 | 42.1 | 0 | 0 | 112 | L97 Q98 N103 A104 W105 | L97-Q101 PolarHBondContact O-N 3.23Å; Q98-Q101 PolarHBondContact O-N 3.15Å; Q98-Q101 VanDerWaalsContact O-N 3.11Å; Q101-N103 VanDerWaalsContact C-N 3.29Å; Q101-N103 PolarHBondContact O-N 3.47Å; Q101-A104 WeakPolarHBondContact O-CB 3.46Å; Q101-A104 PolarHBondContact O-N 3.4Å; Q101-A104 VanDerWaalsContact O-N 3.15Å; Q101-W105 VanDerWaalsContact CD-CH2 3.5Å; Q101-W105 HydrophobicContact CG-CD2 4.01Å; Q101-W105 HydrophobicContact CG-CE3 4.3Å; Q101-W105 HydrophobicContact CG-CH2 3.77Å; Q101-W105 HydrophobicContact CG-CZ2 3.45Å; Q101-W105 VanDerWaalsContact CG-CZ2 3.45Å; Q101-W105 HydrophobicContact CG-CZ3 4.18Å; Q101-W105 VanDerWaalsContact NE2-CZ2 3.33Å; Q101-W105 PolarHBondContact O-N 3.35Å |
| 102 | V | 97.7 | Very high | 97.6 | Very high | 83 Ų | 83 | 102.1 Ų | 102.1 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | Q98 A104 W105 D106 | Q98-V102 WeakPolarHBondContact O-CG2 3.42Å; Q98-V102 PolarHBondContact O-N 3.01Å; V102-A104 VanDerWaalsContact C-N 3.34Å; V102-A104 PolarHBondContact O-N 3.08Å; V102-W105 HydrophobicContact CG2-CE3 4.16Å; V102-W105 HydrophobicContact CG2-CZ3 4.25Å; V102-W105 PolarHBondContact O-N 3.35Å; V102-D106 WeakPolarHBondContact O-CB 3.36Å; V102-D106 PolarHBondContact O-N 3.5Å |
| 103 | N | 97.8 | Very high | 97.7 | Very high | 77 Ų | 77 | 98.5 Ų | 98.5 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 174 | -166.5 | -61.5 | 0 | 0 | 0 | 112.1 | A99 T100 Q101 W105 D106 R107 | A99-N103 WeakPolarHBondContact O-CB 3.33Å; A99-N103 PolarHBondContact O-N 2.87Å; T100-N103 WeakPolarHBondContact O-CB 3.34Å; T100-N103 PolarHBondContact O-N 3.27Å; Q101-N103 VanDerWaalsContact C-N 3.29Å; Q101-N103 PolarHBondContact O-N 3.47Å; N103-W105 VanDerWaalsContact C-N 3.34Å; N103-W105 PolarHBondContact O-N 2.84Å; N103-D106 PolarHBondContact O-N 3.25Å; N103-R107 WeakPolarHBondContact O-CG 3.38Å; N103-R107 PolarHBondContact O-N 3.03Å; N103-R107 VanDerWaalsContact O-N 3.08Å; N103-R107 PolarHBondContact OD1-NE 2.94Å |
| 104 | A | 97.4 | Very high | 97.7 | Very high | 49 Ų | 49 | 97.2 Ų | 97.2 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | T100 Q101 V102 R107 T108 | T100-A104 PolarHBondContact O-N 3.48Å; Q101-A104 WeakPolarHBondContact O-CB 3.46Å; Q101-A104 PolarHBondContact O-N 3.4Å; Q101-A104 VanDerWaalsContact O-N 3.15Å; V102-A104 VanDerWaalsContact C-N 3.34Å; V102-A104 PolarHBondContact O-N 3.08Å; A104-R107 PolarHBondContact O-N 2.95Å; A104-T108 PolarHBondContact O-N 3.4Å; A104-T108 VanDerWaalsContact O-N 3.15Å; A104-T108 PolarHBondContact O-OG1 2.95Å |
| 105 | W | 97.3 | Very high | 97.8 | Very high | 112 Ų | 112 | 97.1 Ų | 97.1 | 42% | 0.424 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 175.7 | -65.9 | -25.2 | 0 | 0 | 0 | 113 | Q101 V102 N103 R107 T108 L109 | Q101-W105 VanDerWaalsContact CD-CH2 3.5Å; Q101-W105 HydrophobicContact CG-CD2 4.01Å; Q101-W105 HydrophobicContact CG-CE3 4.3Å; Q101-W105 HydrophobicContact CG-CH2 3.77Å; Q101-W105 HydrophobicContact CG-CZ2 3.45Å; Q101-W105 VanDerWaalsContact CG-CZ2 3.45Å; Q101-W105 HydrophobicContact CG-CZ3 4.18Å; Q101-W105 VanDerWaalsContact NE2-CZ2 3.33Å; Q101-W105 PolarHBondContact O-N 3.35Å; V102-W105 HydrophobicContact CG2-CE3 4.16Å; V102-W105 HydrophobicContact CG2-CZ3 4.25Å; V102-W105 PolarHBondContact O-N 3.35Å; N103-W105 VanDerWaalsContact C-N 3.34Å; N103-W105 PolarHBondContact O-N 2.84Å; W105-R107 VanDerWaalsContact C-N 3.33Å; W105-R107 PolarHBondContact O-N 3.11Å; W105-T108 PolarHBondContact O-N 3.44Å; W105-L109 WeakPolarHBondContact O-CB 3.37Å; W105-L109 PolarHBondContact O-N 2.93Å |
| 106 | D | 98.3 | Very high | 97.8 | Very high | 84 Ų | 84 | 95.5 Ų | 95.5 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 175.4 | -175.9 | 58.7 | 0 | 0 | 0 | 111.2 | V102 N103 T108 L109 I110 | V102-D106 WeakPolarHBondContact O-CB 3.36Å; V102-D106 PolarHBondContact O-N 3.5Å; N103-D106 PolarHBondContact O-N 3.25Å; D106-T108 PolarHBondContact O-N 3.24Å; D106-L109 WeakPolarHBondContact O-CB 3.44Å; D106-L109 PolarHBondContact O-N 3.12Å; D106-I110 WeakPolarHBondContact O-CG1 3.5Å; D106-I110 PolarHBondContact O-N 3.49Å |
| 107 | R | 97.8 | Very high | 97.8 | Very high | 172 Ų | 172 | 94.8 Ų | 94.8 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -47 | 175.4 | -70.6 | 180 | -176.7 | 174.2 | 0.5 | 112.8 | N103 A104 W105 L109 I110 E111 | N103-R107 WeakPolarHBondContact O-CG 3.38Å; N103-R107 PolarHBondContact O-N 3.03Å; N103-R107 VanDerWaalsContact O-N 3.08Å; N103-R107 PolarHBondContact OD1-NE 2.94Å; A104-R107 PolarHBondContact O-N 2.95Å; W105-R107 VanDerWaalsContact C-N 3.33Å; W105-R107 PolarHBondContact O-N 3.11Å; R107-L109 VanDerWaalsContact C-N 3.29Å; R107-L109 PolarHBondContact O-N 3.1Å; R107-I110 PolarHBondContact O-N 3.4Å; R107-E111 PolarHBondContact O-N 3.04Å |
| 108 | T | 97.6 | Very high | 97.8 | Very high | 72 Ų | 72 | 94 Ų | 94 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -35.5 | 177.4 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | A104 W105 D106 N112 | A104-T108 PolarHBondContact O-N 3.4Å; A104-T108 VanDerWaalsContact O-N 3.15Å; A104-T108 PolarHBondContact O-OG1 2.95Å; W105-T108 PolarHBondContact O-N 3.44Å; D106-T108 PolarHBondContact O-N 3.24Å; T108-N112 WeakPolarHBondContact O-CB 3.43Å; T108-N112 PolarHBondContact O-N 2.94Å; T108-N112 PolarHBondContact O-ND2 2.94Å |
| 109 | L | 98.3 | Very high | 97.9 | Very high | 122 Ų | 122 | 93.6 Ų | 93.6 | 64% | 0.639 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.7 | -43.6 | 176.8 | -173.3 | 118.5 | 0 | 0 | 0 | 111.6 | W105 D106 R107 N112 G113 | W105-L109 WeakPolarHBondContact O-CB 3.37Å; W105-L109 PolarHBondContact O-N 2.93Å; D106-L109 WeakPolarHBondContact O-CB 3.44Å; D106-L109 PolarHBondContact O-N 3.12Å; R107-L109 VanDerWaalsContact C-N 3.29Å; R107-L109 PolarHBondContact O-N 3.1Å; L109-N112 PolarHBondContact O-N 3.45Å; L109-G113 PolarHBondContact O-N 3.38Å |
| 110 | I | 98.1 | Very high | 97.9 | Very high | 86 Ų | 86 | 96.8 Ų | 96.8 | 44% | 0.441 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -49 | 175.6 | -67.9 | 165.8 | 0 | 0 | 0 | 110.4 | D106 R107 N112 G113 E114 | D106-I110 WeakPolarHBondContact O-CG1 3.5Å; D106-I110 PolarHBondContact O-N 3.49Å; R107-I110 PolarHBondContact O-N 3.4Å; I110-N112 VanDerWaalsContact C-N 3.35Å; I110-N112 PolarHBondContact O-N 3.1Å; I110-G113 WeakPolarHBondContact O-CA 3.32Å; I110-G113 PolarHBondContact O-N 3.41Å; I110-E114 PolarHBondContact O-N 2.96Å |
| 111 | E | 97.8 | Very high | 97.9 | Very high | 110 Ų | 110 | 94.1 Ų | 94.1 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 178.3 | -177.5 | 178.3 | -169.9 | 0 | 0 | 111.9 | R107 G113 E114 M115 | R107-E111 PolarHBondContact O-N 3.04Å; E111-G113 VanDerWaalsContact C-N 3.29Å; E111-G113 PolarHBondContact O-N 3.44Å; E111-E114 PolarHBondContact O-N 3.38Å; E111-M115 WeakPolarHBondContact O-CG 3.36Å; E111-M115 PolarHBondContact O-N 2.96Å |
| 112 | N | 97.8 | Very high | 97.9 | Very high | 87 Ų | 87 | 95.1 Ų | 95.1 | 47% | 0.465 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 174.7 | -73.9 | -26.9 | 0 | 0 | 0 | 111.8 | T108 L109 I110 M115 I116 | T108-N112 WeakPolarHBondContact O-CB 3.43Å; T108-N112 PolarHBondContact O-N 2.94Å; T108-N112 PolarHBondContact O-ND2 2.94Å; L109-N112 PolarHBondContact O-N 3.45Å; I110-N112 VanDerWaalsContact C-N 3.35Å; I110-N112 PolarHBondContact O-N 3.1Å; N112-M115 PolarHBondContact O-N 2.97Å; N112-I116 WeakPolarHBondContact O-CB 3.42Å; N112-I116 WeakPolarHBondContact O-CD1 3.49Å; N112-I116 WeakPolarHBondContact O-CG1 3.2Å; N112-I116 PolarHBondContact O-N 3.06Å |
| 113 | G | 98 | Very high | 97.9 | Very high | 39 Ų | 39 | 94.2 Ų | 94.2 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L109 I110 E111 I116 S117 | L109-G113 PolarHBondContact O-N 3.38Å; I110-G113 WeakPolarHBondContact O-CA 3.32Å; I110-G113 PolarHBondContact O-N 3.41Å; E111-G113 VanDerWaalsContact C-N 3.29Å; E111-G113 PolarHBondContact O-N 3.44Å; G113-I116 PolarHBondContact O-N 3.44Å; G113-S117 PolarHBondContact O-N 3.19Å |
| 114 | E | 98.1 | Very high | 97.9 | Very high | 125 Ų | 125 | 93.8 Ų | 93.8 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -45.9 | 174.9 | -69.7 | -177.2 | 174.1 | 0 | 0 | 111.6 | I110 E111 I116 S117 I118 | I110-E114 PolarHBondContact O-N 2.96Å; E111-E114 PolarHBondContact O-N 3.38Å; E114-I116 VanDerWaalsContact C-N 3.34Å; E114-I116 PolarHBondContact O-N 2.93Å; E114-S117 WeakPolarHBondContact O-CB 3.43Å; E114-S117 PolarHBondContact O-N 3.04Å; E114-S117 VanDerWaalsContact O-N 3.1Å; E114-I118 WeakPolarHBondContact O-CG1 3.27Å; E114-I118 PolarHBondContact O-N 3.39Å |
| 115 | M | 98.1 | Very high | 98 | Very high | 112 Ų | 112 | 98 Ų | 98 | 55% | 0.552 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.4 | -42.6 | 176.5 | -73.2 | -64.5 | -150.8 | 0 | 0 | 112.5 | E111 N112 S117 I118 L119 | E111-M115 WeakPolarHBondContact O-CG 3.36Å; E111-M115 PolarHBondContact O-N 2.96Å; N112-M115 PolarHBondContact O-N 2.97Å; M115-S117 VanDerWaalsContact C-N 3.3Å; M115-S117 PolarHBondContact O-N 3.18Å; M115-I118 PolarHBondContact O-N 2.96Å; M115-L119 WeakPolarHBondContact O-CB 3.4Å; M115-L119 PolarHBondContact O-N 3.29Å |
| 116 | I | 97.9 | Very high | 98 | Very high | 107 Ų | 107 | 97 Ų | 97 | 55% | 0.549 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 175.5 | -70 | 163 | 0 | 0 | 0 | 110.7 | N112 G113 E114 L119 H120 | N112-I116 WeakPolarHBondContact O-CB 3.42Å; N112-I116 WeakPolarHBondContact O-CD1 3.49Å; N112-I116 WeakPolarHBondContact O-CG1 3.2Å; N112-I116 PolarHBondContact O-N 3.06Å; G113-I116 PolarHBondContact O-N 3.44Å; E114-I116 VanDerWaalsContact C-N 3.34Å; E114-I116 PolarHBondContact O-N 2.93Å; I116-L119 PolarHBondContact O-N 3.01Å; I116-H120 WeakPolarHBondContact O-CB 3.32Å; I116-H120 PolarHBondContact O-N 2.95Å |
| 117 | S | 98.1 | Very high | 98 | Very high | 84 Ų | 84 | 99 Ų | 99 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 178.1 | -167.6 | 0 | 0 | 0 | 0 | 112.2 | G113 E114 M115 H120 G121 | G113-S117 PolarHBondContact O-N 3.19Å; E114-S117 WeakPolarHBondContact O-CB 3.43Å; E114-S117 PolarHBondContact O-N 3.04Å; E114-S117 VanDerWaalsContact O-N 3.1Å; M115-S117 VanDerWaalsContact C-N 3.3Å; M115-S117 PolarHBondContact O-N 3.18Å; S117-H120 PolarHBondContact O-N 2.91Å; S117-G121 PolarHBondContact O-N 3.03Å |
| 118 | I | 97.8 | Very high | 98 | Very high | 98 Ų | 98 | 96.4 Ų | 96.4 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.7 | -52.4 | 175.6 | -67.8 | 166.6 | 0 | 0 | 0 | 110.2 | E114 M115 H120 G121 E122 | E114-I118 WeakPolarHBondContact O-CG1 3.27Å; E114-I118 PolarHBondContact O-N 3.39Å; M115-I118 PolarHBondContact O-N 2.96Å; I118-H120 VanDerWaalsContact C-N 3.29Å; I118-H120 PolarHBondContact O-N 3.25Å; I118-G121 WeakPolarHBondContact O-CA 3.41Å; I118-G121 PolarHBondContact O-N 3.33Å; I118-E122 PolarHBondContact O-N 2.88Å |
| 119 | L | 98.3 | Very high | 98.1 | Very high | 104 Ų | 104 | 96.7 Ų | 96.7 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | -179.2 | -178.4 | 63.6 | 0 | 0 | 0 | 111.6 | M115 I116 G121 E122 V123 | M115-L119 WeakPolarHBondContact O-CB 3.4Å; M115-L119 PolarHBondContact O-N 3.29Å; I116-L119 PolarHBondContact O-N 3.01Å; L119-G121 VanDerWaalsContact C-N 3.31Å; L119-G121 PolarHBondContact O-N 3.4Å; L119-E122 PolarHBondContact O-N 3.06Å; L119-V123 HydrophobicContact CD1-CG2 4.44Å; L119-V123 HydrophobicContact CG-CG2 4.49Å; L119-V123 WeakPolarHBondContact O-CB 3.31Å; L119-V123 VanDerWaalsContact O-CG2 3.31Å; L119-V123 WeakPolarHBondContact O-CG2 3.49Å; L119-V123 PolarHBondContact O-N 3.11Å |
| 120 | H | 98.1 | Very high | 98.1 | Very high | 118 Ų | 118 | 96.7 Ų | 96.7 | 55% | 0.546 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 175.3 | 177 | -106.4 | 0 | 0 | 0 | 112.1 | I116 S117 I118 N124 | I116-H120 WeakPolarHBondContact O-CB 3.32Å; I116-H120 PolarHBondContact O-N 2.95Å; S117-H120 PolarHBondContact O-N 2.91Å; I118-H120 VanDerWaalsContact C-N 3.29Å; I118-H120 PolarHBondContact O-N 3.25Å; H120-N124 PolarHBondContact CE1-ND2 3.07Å; H120-N124 PolarHBondContact ND1-ND2 3.43Å; H120-N124 PolarHBondContact NE2-ND2 3.35Å; H120-N124 VanDerWaalsContact O-CG 3.3Å; H120-N124 PolarHBondContact O-N 3.18Å; H120-N124 PolarHBondContact O-ND2 3.01Å |
| 121 | G | 98 | Very high | 98.1 | Very high | 40 Ų | 40 | 99 Ų | 99 | 41% | 0.412 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S117 I118 L119 N124 K125 | S117-G121 PolarHBondContact O-N 3.03Å; I118-G121 WeakPolarHBondContact O-CA 3.41Å; I118-G121 PolarHBondContact O-N 3.33Å; L119-G121 VanDerWaalsContact C-N 3.31Å; L119-G121 PolarHBondContact O-N 3.4Å; G121-N124 PolarHBondContact O-N 2.93Å; G121-K125 PolarHBondContact O-N 3.36Å |
| 122 | E | 97.8 | Very high | 98.1 | Very high | 116 Ų | 116 | 100.9 Ų | 100.9 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 177.9 | -68.3 | -173.2 | 160.9 | 0 | 0 | 112.4 | I118 L119 N124 K125 V126 | I118-E122 PolarHBondContact O-N 2.88Å; L119-E122 PolarHBondContact O-N 3.06Å; E122-N124 VanDerWaalsContact C-N 3.3Å; E122-N124 PolarHBondContact O-N 3.19Å; E122-K125 WeakPolarHBondContact O-CB 3.42Å; E122-K125 PolarHBondContact O-N 3.49Å; E122-V126 WeakPolarHBondContact O-CG2 3.41Å; E122-V126 PolarHBondContact O-N 3.25Å |
| 123 | V | 98.4 | Very high | 98.1 | Very high | 64 Ų | 64 | 102.1 Ų | 102.1 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 176.3 | 168 | 0 | 0 | 0 | 0 | 111.1 | L119 K125 V126 K127 | L119-V123 HydrophobicContact CD1-CG2 4.44Å; L119-V123 HydrophobicContact CG-CG2 4.49Å; L119-V123 WeakPolarHBondContact O-CB 3.31Å; L119-V123 VanDerWaalsContact O-CG2 3.31Å; L119-V123 WeakPolarHBondContact O-CG2 3.49Å; L119-V123 PolarHBondContact O-N 3.11Å; V123-K125 VanDerWaalsContact C-N 3.35Å; V123-V126 PolarHBondContact O-N 3.04Å; V123-K127 HydrophobicContact CG1-CD 4.32Å; V123-K127 WeakPolarHBondContact O-CG 3.35Å; V123-K127 PolarHBondContact O-N 3.14Å |
| 124 | N | 97.8 | Very high | 98.1 | Very high | 69 Ų | 69 | 105.2 Ų | 105.2 | 37% | 0.369 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.2 | -37.1 | 177.5 | -73 | -27.5 | 0 | 0 | 0 | 112.3 | H120 G121 E122 K127 L128 | H120-N124 PolarHBondContact CE1-ND2 3.07Å; H120-N124 PolarHBondContact ND1-ND2 3.43Å; H120-N124 PolarHBondContact NE2-ND2 3.35Å; H120-N124 VanDerWaalsContact O-CG 3.3Å; H120-N124 PolarHBondContact O-N 3.18Å; H120-N124 PolarHBondContact O-ND2 3.01Å; G121-N124 PolarHBondContact O-N 2.93Å; E122-N124 VanDerWaalsContact C-N 3.3Å; E122-N124 PolarHBondContact O-N 3.19Å; N124-K127 PolarHBondContact O-N 3.47Å; N124-L128 PolarHBondContact O-N 3.02Å |
| 125 | K | 98.1 | Very high | 98.2 | Very high | 136 Ų | 136 | 104.6 Ų | 104.6 | 59% | 0.591 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.6 | -49.9 | 171.9 | -177.2 | -171.9 | 171.5 | -169.9 | 0 | 111 | G121 E122 V123 K127 L128 D129 | G121-K125 PolarHBondContact O-N 3.36Å; E122-K125 WeakPolarHBondContact O-CB 3.42Å; E122-K125 PolarHBondContact O-N 3.49Å; V123-K125 VanDerWaalsContact C-N 3.35Å; K125-K127 VanDerWaalsContact C-N 3.3Å; K125-K127 PolarHBondContact O-N 2.91Å; K125-L128 WeakPolarHBondContact O-CB 3.43Å; K125-L128 PolarHBondContact O-N 2.91Å; K125-L128 VanDerWaalsContact O-N 3.07Å; K125-D129 PolarHBondContact O-N 3.3Å |
| 126 | V | 98.5 | Very high | 98.2 | Very high | 91 Ų | 91 | 103.1 Ų | 103.1 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.6 | -40.8 | 178.3 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | E122 V123 L128 D129 Q130 | E122-V126 WeakPolarHBondContact O-CG2 3.41Å; E122-V126 PolarHBondContact O-N 3.25Å; V123-V126 PolarHBondContact O-N 3.04Å; V126-L128 VanDerWaalsContact C-N 3.33Å; V126-L128 PolarHBondContact O-N 2.85Å; V126-D129 PolarHBondContact O-N 3.45Å; V126-Q130 WeakPolarHBondContact O-CB 3.4Å; V126-Q130 PolarHBondContact O-N 3.23Å |
| 127 | K | 98.2 | Very high | 98.2 | Very high | 127 Ų | 127 | 102.1 Ų | 102.1 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -40 | 174.8 | -76.8 | 177.7 | 177.6 | 178.2 | 0 | 112.7 | V123 N124 K125 K131 | V123-K127 HydrophobicContact CG1-CD 4.32Å; V123-K127 WeakPolarHBondContact O-CG 3.35Å; V123-K127 PolarHBondContact O-N 3.14Å; N124-K127 PolarHBondContact O-N 3.47Å; K125-K127 VanDerWaalsContact C-N 3.3Å; K125-K127 PolarHBondContact O-N 2.91Å; K127-K131 PolarHBondContact O-N 3.33Å |
| 128 | L | 98.3 | Very high | 98.2 | Very high | 118 Ų | 118 | 102.5 Ų | 102.5 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.7 | -44.3 | 176.9 | -173 | 68.4 | 0 | 0 | 0 | 110.9 | N124 K125 V126 Q130 K131 R132 | N124-L128 PolarHBondContact O-N 3.02Å; K125-L128 WeakPolarHBondContact O-CB 3.43Å; K125-L128 PolarHBondContact O-N 2.91Å; K125-L128 VanDerWaalsContact O-N 3.07Å; V126-L128 VanDerWaalsContact C-N 3.33Å; V126-L128 PolarHBondContact O-N 2.85Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-Q130 PolarHBondContact O-N 3.05Å; L128-K131 PolarHBondContact O-N 2.83Å; L128-R132 PolarHBondContact O-N 2.88Å |
| 129 | D | 98.3 | Very high | 98.2 | Very high | 77 Ų | 77 | 103.4 Ų | 103.4 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 177.1 | -69.9 | -19.1 | 0 | 0 | 0 | 111.1 | K125 V126 R132 L133 | K125-D129 PolarHBondContact O-N 3.3Å; V126-D129 PolarHBondContact O-N 3.45Å; D129-R132 WeakPolarHBondContact O-CB 3.49Å; D129-R132 PolarHBondContact O-N 3.02Å; D129-L133 PolarHBondContact O-N 3.42Å |
| 130 | Q | 98.3 | Very high | 98.2 | Very high | 122 Ų | 122 | 102.2 Ų | 102.2 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.6 | -46.9 | 173.6 | -177.2 | -179.2 | -2.2 | 0 | 0 | 111.6 | V126 L128 R132 L133 E134 | V126-Q130 WeakPolarHBondContact O-CB 3.4Å; V126-Q130 PolarHBondContact O-N 3.23Å; L128-Q130 VanDerWaalsContact C-N 3.33Å; L128-Q130 PolarHBondContact O-N 3.05Å; Q130-R132 VanDerWaalsContact C-N 3.28Å; Q130-R132 PolarHBondContact O-N 2.98Å; Q130-L133 PolarHBondContact O-N 3.44Å; Q130-E134 PolarHBondContact O-N 3.43Å |
| 131 | K | 98.3 | Very high | 98.2 | Very high | 134 Ų | 134 | 100.8 Ų | 100.8 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.7 | -38.8 | 178 | -176.9 | 178.4 | 179.4 | 179.7 | 0 | 111.9 | K127 L128 Q135 | K127-K131 PolarHBondContact O-N 3.33Å; L128-K131 PolarHBondContact O-N 2.83Å; K131-Q135 WeakPolarHBondContact O-CG 3.49Å; K131-Q135 PolarHBondContact O-N 2.99Å |
| 132 | R | 98.3 | Very high | 98.2 | Very high | 151 Ų | 151 | 101.7 Ų | 101.7 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -46.9 | 174.8 | 176.7 | -175.3 | 167.9 | -177.3 | -3.7 | 111 | L128 D129 Q130 E134 Q135 E136 | L128-R132 PolarHBondContact O-N 2.88Å; D129-R132 WeakPolarHBondContact O-CB 3.49Å; D129-R132 PolarHBondContact O-N 3.02Å; Q130-R132 VanDerWaalsContact C-N 3.28Å; Q130-R132 PolarHBondContact O-N 2.98Å; R132-E134 VanDerWaalsContact C-N 3.31Å; R132-E134 PolarHBondContact O-N 2.96Å; R132-Q135 WeakPolarHBondContact O-CB 3.46Å; R132-Q135 PolarHBondContact O-N 3.39Å; R132-E136 IonicContact CZ-OE1 2.83Å; R132-E136 IonicContact NE-OE1 2.73Å; R132-E136 PolarHBondContact NE-OE1 3.23Å; R132-E136 IonicContact NH2-OE1 2.98Å; R132-E136 PolarHBondContact NH2-OE1 3.25Å; R132-E136 PolarHBondContact O-N 3.21Å |
| 133 | L | 98.3 | Very high | 98.2 | Very high | 113 Ų | 113 | 100.4 Ų | 100.4 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 179.6 | -176 | 64.6 | 0 | 0 | 0 | 111.9 | D129 Q130 Q135 E136 L137 | D129-L133 PolarHBondContact O-N 3.42Å; Q130-L133 PolarHBondContact O-N 3.44Å; L133-Q135 VanDerWaalsContact C-N 3.32Å; L133-Q135 PolarHBondContact O-N 3.18Å; L133-E136 PolarHBondContact O-N 3.23Å; L133-L137 WeakPolarHBondContact O-CB 3.34Å; L133-L137 PolarHBondContact O-N 2.93Å |
| 134 | E | 98.3 | Very high | 98.2 | Very high | 103 Ų | 103 | 102.9 Ų | 102.9 | 48% | 0.481 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -44 | 174.6 | -168.1 | 70.3 | -159.3 | 0 | 0 | 111.5 | Q130 R132 E136 L137 D138 | Q130-E134 PolarHBondContact O-N 3.43Å; R132-E134 VanDerWaalsContact C-N 3.31Å; R132-E134 PolarHBondContact O-N 2.96Å; E134-E136 PolarHBondContact O-N 2.92Å; E134-L137 WeakPolarHBondContact O-CB 3.45Å; E134-L137 PolarHBondContact O-N 3.27Å; E134-D138 PolarHBondContact O-N 3.22Å |
| 135 | Q | 98.4 | Very high | 98.2 | Very high | 112 Ų | 112 | 106.3 Ų | 106.3 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 177 | -68.6 | 171 | -3.3 | 0 | 0 | 112.4 | K131 R132 L133 L137 F139 | K131-Q135 WeakPolarHBondContact O-CG 3.49Å; K131-Q135 PolarHBondContact O-N 2.99Å; R132-Q135 WeakPolarHBondContact O-CB 3.46Å; R132-Q135 PolarHBondContact O-N 3.39Å; L133-Q135 VanDerWaalsContact C-N 3.32Å; L133-Q135 PolarHBondContact O-N 3.18Å; Q135-L137 VanDerWaalsContact C-N 3.3Å; Q135-F139 WeakPolarHBondContact O-CB 3.41Å; Q135-F139 PolarHBondContact O-N 3.45Å |
| 136 | E | 98.2 | Very high | 98.1 | Very high | 82 Ų | 82 | 106.6 Ų | 106.6 | 38% | 0.383 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -35.8 | 174.7 | -70.8 | -179.4 | -171.5 | 0 | 0 | 111 | R132 L133 E134 F139 I140 | R132-E136 IonicContact CZ-OE1 2.83Å; R132-E136 IonicContact NE-OE1 2.73Å; R132-E136 PolarHBondContact NE-OE1 3.23Å; R132-E136 IonicContact NH2-OE1 2.98Å; R132-E136 PolarHBondContact NH2-OE1 3.25Å; R132-E136 PolarHBondContact O-N 3.21Å; L133-E136 PolarHBondContact O-N 3.23Å; E134-E136 PolarHBondContact O-N 2.92Å; E136-F139 PolarHBondContact O-N 2.92Å; E136-I140 VanDerWaalsContact O-CG1 3.29Å; E136-I140 WeakPolarHBondContact O-CG1 3.35Å; E136-I140 PolarHBondContact O-N 3.38Å |
| 137 | L | 98.3 | Very high | 98 | Very high | 85 Ų | 85 | 107.8 Ų | 107.8 | 45% | 0.445 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.8 | -47.2 | 175.1 | -178 | 64.6 | 0 | 0 | 0 | 112 | L133 E134 Q135 F139 I140 L141 | L133-L137 WeakPolarHBondContact O-CB 3.34Å; L133-L137 PolarHBondContact O-N 2.93Å; E134-L137 WeakPolarHBondContact O-CB 3.45Å; E134-L137 PolarHBondContact O-N 3.27Å; Q135-L137 VanDerWaalsContact C-N 3.3Å; L137-F139 VanDerWaalsContact C-N 3.25Å; L137-F139 PolarHBondContact O-N 3.23Å; L137-I140 PolarHBondContact O-N 3.46Å; L137-L141 HydrophobicContact CG-CD1 4.28Å; L137-L141 WeakPolarHBondContact O-CG 3.4Å; L137-L141 PolarHBondContact O-N 3.38Å |
| 138 | D | 98.3 | Very high | 98 | Very high | 92 Ų | 92 | 108 Ų | 108 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 175.3 | -77.4 | -23.9 | 0 | 0 | 0 | 111.3 | E134 L141 S142 | E134-D138 PolarHBondContact O-N 3.22Å; D138-L141 PolarHBondContact O-N 2.93Å; D138-S142 PolarHBondContact O-N 3.02Å |
| 139 | F | 98.4 | Very high | 97.9 | Very high | 118 Ų | 118 | 109.6 Ų | 109.6 | 52% | 0.518 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.2 | -50.4 | 175.7 | 177 | -98.6 | 0 | 0 | 0 | 111.7 | Q135 E136 L137 L141 S142 E143 | Q135-F139 WeakPolarHBondContact O-CB 3.41Å; Q135-F139 PolarHBondContact O-N 3.45Å; E136-F139 PolarHBondContact O-N 2.92Å; L137-F139 VanDerWaalsContact C-N 3.25Å; L137-F139 PolarHBondContact O-N 3.23Å; F139-L141 VanDerWaalsContact C-N 3.32Å; F139-L141 PolarHBondContact O-N 3.01Å; F139-S142 PolarHBondContact O-N 2.99Å; F139-S142 VanDerWaalsContact O-N 3.13Å; F139-S142 PolarHBondContact O-OG 2.65Å; F139-E143 HydrophobicContact CD1-CG 4.43Å; F139-E143 HydrophobicContact CE1-CG 3.91Å; F139-E143 WeakPolarHBondContact CE1-OE2 3.39Å; F139-E143 HydrophobicContact CE2-CG 4.38Å; F139-E143 HydrophobicContact CZ-CG 3.87Å; F139-E143 WeakPolarHBondContact CZ-OE1 3.44Å; F139-E143 PolarHBondContact O-N 3.13Å |
| 140 | I | 98 | Very high | 97.8 | Very high | 78 Ų | 78 | 110.6 Ų | 110.6 | 40% | 0.4 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 178.8 | -68.7 | 165.5 | 0 | 0 | 0 | 111.3 | E136 L137 S142 E143 Q144 | E136-I140 VanDerWaalsContact O-CG1 3.29Å; E136-I140 WeakPolarHBondContact O-CG1 3.35Å; E136-I140 PolarHBondContact O-N 3.38Å; L137-I140 PolarHBondContact O-N 3.46Å; I140-S142 VanDerWaalsContact C-N 3.3Å; I140-S142 PolarHBondContact O-N 3.01Å; I140-E143 PolarHBondContact O-N 3.37Å; I140-Q144 HydrophobicContact CG2-CG 4.41Å; I140-Q144 WeakPolarHBondContact O-CG 3.29Å; I140-Q144 PolarHBondContact O-N 3.5Å |
| 141 | L | 98 | Very high | 97.6 | Very high | 89 Ų | 89 | 110.3 Ų | 110.3 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 176.4 | -73.9 | 172 | 0 | 0 | 0 | 111.5 | L137 D138 F139 Q144 Q145 | L137-L141 HydrophobicContact CG-CD1 4.28Å; L137-L141 WeakPolarHBondContact O-CG 3.4Å; L137-L141 PolarHBondContact O-N 3.38Å; D138-L141 PolarHBondContact O-N 2.93Å; F139-L141 VanDerWaalsContact C-N 3.32Å; F139-L141 PolarHBondContact O-N 3.01Å; L141-Q144 PolarHBondContact O-N 2.93Å; L141-Q145 PolarHBondContact O-N 3.36Å |
| 142 | S | 98 | Very high | 97.5 | Very high | 59 Ų | 59 | 107.2 Ų | 107.2 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 175.8 | 75.4 | 0 | 0 | 0 | 0 | 112.5 | D138 F139 I140 Q145 E146 | D138-S142 PolarHBondContact O-N 3.02Å; F139-S142 PolarHBondContact O-N 2.99Å; F139-S142 VanDerWaalsContact O-N 3.13Å; F139-S142 PolarHBondContact O-OG 2.65Å; I140-S142 VanDerWaalsContact C-N 3.3Å; I140-S142 PolarHBondContact O-N 3.01Å; S142-Q145 PolarHBondContact O-N 3.35Å; S142-E146 PolarHBondContact O-N 2.93Å |
| 143 | E | 98.2 | Very high | 97.3 | Very high | 89 Ų | 89 | 106.8 Ų | 106.8 | 42% | 0.416 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 174.8 | -70.3 | -162.8 | 129.7 | 0 | 0 | 111.1 | F139 I140 Q145 E146 L147 | F139-E143 HydrophobicContact CD1-CG 4.43Å; F139-E143 HydrophobicContact CE1-CG 3.91Å; F139-E143 WeakPolarHBondContact CE1-OE2 3.39Å; F139-E143 HydrophobicContact CE2-CG 4.38Å; F139-E143 HydrophobicContact CZ-CG 3.87Å; F139-E143 WeakPolarHBondContact CZ-OE1 3.44Å; F139-E143 PolarHBondContact O-N 3.13Å; I140-E143 PolarHBondContact O-N 3.37Å; E143-Q145 VanDerWaalsContact C-N 3.33Å; E143-Q145 PolarHBondContact O-N 3Å; E143-E146 PolarHBondContact O-N 3.44Å; E143-L147 WeakPolarHBondContact O-CD1 3.38Å; E143-L147 PolarHBondContact O-N 2.92Å |
| 144 | Q | 97.4 | Very high | 97 | Very high | 115 Ų | 115 | 105.9 Ų | 105.9 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 177.4 | -74.2 | 177.3 | -2.6 | 0 | 0 | 112.1 | I140 L141 L147 E148 | I140-Q144 HydrophobicContact CG2-CG 4.41Å; I140-Q144 WeakPolarHBondContact O-CG 3.29Å; I140-Q144 PolarHBondContact O-N 3.5Å; L141-Q144 PolarHBondContact O-N 2.93Å; Q144-L147 PolarHBondContact O-N 3.24Å; Q144-E148 WeakPolarHBondContact O-CB 3.38Å; Q144-E148 PolarHBondContact O-N 3.41Å |
| 145 | Q | 97.5 | Very high | 96.6 | Very high | 141 Ų | 141 | 107.3 Ų | 107.3 | 66% | 0.659 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.3 | -40.7 | 176.8 | -175.4 | 179.3 | -0.8 | 0 | 0 | 112 | L141 S142 E143 E148 F149 | L141-Q145 PolarHBondContact O-N 3.36Å; S142-Q145 PolarHBondContact O-N 3.35Å; E143-Q145 VanDerWaalsContact C-N 3.33Å; E143-Q145 PolarHBondContact O-N 3Å; Q145-E148 PolarHBondContact O-N 2.88Å; Q145-F149 WeakPolarHBondContact O-CB 3.1Å; Q145-F149 PolarHBondContact O-N 3.4Å |
| 146 | E | 96.9 | Very high | 96.2 | Very high | 142 Ų | 142 | 107.8 Ų | 107.8 | 66% | 0.664 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.1 | -43.3 | 175.9 | -176 | 176.6 | 172.4 | 0 | 0 | 111.6 | S142 E143 F149 L150 | S142-E146 PolarHBondContact O-N 2.93Å; E143-E146 PolarHBondContact O-N 3.44Å; E146-F149 PolarHBondContact O-N 2.89Å; E146-L150 PolarHBondContact O-N 3.18Å |
| 147 | L | 97.1 | Very high | 95.8 | Very high | 117 Ų | 117 | 106 Ų | 106 | 61% | 0.613 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.2 | -42.1 | 176.3 | -92.3 | 77.5 | 0 | 0 | 0 | 111.8 | E143 Q144 F149 L150 L151 | E143-L147 WeakPolarHBondContact O-CD1 3.38Å; E143-L147 PolarHBondContact O-N 2.92Å; Q144-L147 PolarHBondContact O-N 3.24Å; L147-F149 VanDerWaalsContact C-N 3.34Å; L147-L150 PolarHBondContact O-N 3.42Å; L147-L151 WeakPolarHBondContact O-CB 3.43Å; L147-L151 PolarHBondContact O-N 3.31Å |
| 148 | E | 96.9 | Very high | 95 | Very high | 132 Ų | 132 | 106.1 Ų | 106.1 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 175.9 | -175.4 | 178.4 | -177.5 | 0 | 0 | 111.4 | Q144 Q145 L151 T152 | Q144-E148 WeakPolarHBondContact O-CB 3.38Å; Q144-E148 PolarHBondContact O-N 3.41Å; Q145-E148 PolarHBondContact O-N 2.88Å; E148-L151 PolarHBondContact O-N 2.96Å; E148-T152 WeakPolarHBondContact O-CB 3.42Å; E148-T152 PolarHBondContact O-N 3.01Å; E148-T152 PolarHBondContact O-OG1 3.5Å |
| 149 | F | 97.2 | Very high | 94.3 | Very high | 151 Ų | 151 | 105.1 Ų | 105.1 | 66% | 0.662 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.2 | -46.5 | 175 | 176.3 | -97.6 | 0 | 0 | 0 | 111.8 | Q145 E146 L147 L151 T152 Y153 | Q145-F149 WeakPolarHBondContact O-CB 3.1Å; Q145-F149 PolarHBondContact O-N 3.4Å; E146-F149 PolarHBondContact O-N 2.89Å; L147-F149 VanDerWaalsContact C-N 3.34Å; F149-L151 PolarHBondContact O-N 2.78Å; F149-T152 PolarHBondContact O-N 3.36Å; F149-Y153 WeakPolarHBondContact O-CB 3.34Å; F149-Y153 PolarHBondContact O-N 3.38Å |
| 150 | L | 95.9 | Very high | 93.4 | Very high | 98 Ų | 98 | 104.4 Ų | 104.4 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 178.2 | -177.2 | 63.2 | 0 | 0 | 0 | 111.9 | E146 L147 Y153 L154 | E146-L150 PolarHBondContact O-N 3.18Å; L147-L150 PolarHBondContact O-N 3.42Å; L150-Y153 PolarHBondContact O-N 2.81Å; L150-L154 HydrophobicContact CG-CD1 4.37Å; L150-L154 WeakPolarHBondContact O-CG 3.41Å; L150-L154 PolarHBondContact O-N 3.5Å |
| 151 | L | 94.1 | Very high | 92.1 | Very high | 116 Ų | 116 | 107.6 Ų | 107.6 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.1 | -48.6 | 175.6 | -171.7 | 92.7 | 0 | 0 | 0 | 110.8 | L147 E148 F149 Y153 L154 E155 | L147-L151 WeakPolarHBondContact O-CB 3.43Å; L147-L151 PolarHBondContact O-N 3.31Å; E148-L151 PolarHBondContact O-N 2.96Å; F149-L151 PolarHBondContact O-N 2.78Å; L151-Y153 VanDerWaalsContact C-N 3.32Å; L151-Y153 PolarHBondContact O-N 3.44Å; L151-L154 PolarHBondContact O-N 3.35Å; L151-E155 PolarHBondContact O-N 2.93Å |
| 152 | T | 95.1 | Very high | 90.4 | Very high | 68 Ų | 68 | 106 Ų | 106 | 42% | 0.417 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 178.8 | -55 | 0 | 0 | 0 | 0 | 111 | E148 F149 L154 E155 E156 | E148-T152 WeakPolarHBondContact O-CB 3.42Å; E148-T152 PolarHBondContact O-N 3.01Å; E148-T152 PolarHBondContact O-OG1 3.5Å; F149-T152 PolarHBondContact O-N 3.36Å; T152-L154 PolarHBondContact O-N 3.48Å; T152-E155 PolarHBondContact O-N 2.94Å; T152-E156 PolarHBondContact O-N 3.44Å |
| 153 | Y | 94.1 | Very high | 88.6 | Confident | 142 Ų | 142 | 104.8 Ų | 104.8 | 56% | 0.557 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.3 | -44.1 | 175.4 | 174.5 | -98.4 | 0 | 0 | 0 | 112.5 | F149 L150 L151 E156 A157 | F149-Y153 WeakPolarHBondContact O-CB 3.34Å; F149-Y153 PolarHBondContact O-N 3.38Å; L150-Y153 PolarHBondContact O-N 2.81Å; L151-Y153 VanDerWaalsContact C-N 3.32Å; L151-Y153 PolarHBondContact O-N 3.44Å; Y153-E156 PolarHBondContact O-N 2.86Å; Y153-A157 WeakPolarHBondContact O-CB 3.35Å; Y153-A157 PolarHBondContact O-N 3.24Å |
| 154 | L | 91.8 | Very high | 86.7 | Confident | 94 Ų | 94 | 106.4 Ų | 106.4 | 49% | 0.492 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.5 | -37.5 | 178 | -72 | 174.1 | 0 | 0 | 0 | 112.4 | L150 L151 T152 A157 T158 | L150-L154 HydrophobicContact CG-CD1 4.37Å; L150-L154 WeakPolarHBondContact O-CG 3.41Å; L150-L154 PolarHBondContact O-N 3.5Å; L151-L154 PolarHBondContact O-N 3.35Å; T152-L154 PolarHBondContact O-N 3.48Å; L154-A157 PolarHBondContact O-N 2.82Å; L154-T158 WeakPolarHBondContact O-CB 3.46Å; L154-T158 PolarHBondContact O-N 3.4Å; L154-T158 PolarHBondContact O-OG1 3.39Å |
| 155 | E | 90.3 | Very high | 84.7 | Confident | 134 Ų | 134 | 106.8 Ų | 106.8 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.2 | -45.7 | 174.4 | -176.1 | 172.4 | -176.2 | 0 | 0 | 110.7 | L151 T152 T158 S159 | L151-E155 PolarHBondContact O-N 2.93Å; T152-E155 PolarHBondContact O-N 2.94Å; E155-T158 PolarHBondContact O-N 3.33Å; E155-S159 WeakPolarHBondContact O-CB 3.22Å; E155-S159 PolarHBondContact O-N 2.94Å |
| 156 | E | 91.5 | Very high | 82.7 | Confident | 122 Ų | 122 | 108.1 Ų | 108.1 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.2 | -43.4 | 176.7 | -176.6 | 165 | -169.1 | 0 | 0 | 112 | T152 Y153 T158 S159 N160 | T152-E156 PolarHBondContact O-N 3.44Å; Y153-E156 PolarHBondContact O-N 2.86Å; E156-T158 VanDerWaalsContact C-N 3.34Å; E156-T158 PolarHBondContact O-N 3.46Å; E156-S159 PolarHBondContact O-N 2.68Å; E156-N160 WeakPolarHBondContact CG-ND2 3.2Å; E156-N160 WeakPolarHBondContact O-CB 3.44Å; E156-N160 VanDerWaalsContact O-CG 3.32Å; E156-N160 PolarHBondContact O-N 2.95Å; E156-N160 PolarHBondContact O-ND2 2.73Å |
| 157 | A | 87.9 | Confident | 80.9 | Confident | 43 Ų | 43 | 107.7 Ų | 107.7 | 36% | 0.355 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y153 L154 Q161 | Y153-A157 WeakPolarHBondContact O-CB 3.35Å; Y153-A157 PolarHBondContact O-N 3.24Å; L154-A157 PolarHBondContact O-N 2.82Å; A157-Q161 PolarHBondContact O-N 3.07Å |
| 158 | T | 82.9 | Confident | 79.1 | Confident | 89 Ų | 89 | 108.1 Ų | 108.1 | 55% | 0.546 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.9 | -42.2 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | L154 E155 E156 N160 Q161 S162 | L154-T158 WeakPolarHBondContact O-CB 3.46Å; L154-T158 PolarHBondContact O-N 3.4Å; L154-T158 PolarHBondContact O-OG1 3.39Å; E155-T158 PolarHBondContact O-N 3.33Å; E156-T158 VanDerWaalsContact C-N 3.34Å; E156-T158 PolarHBondContact O-N 3.46Å; T158-N160 PolarHBondContact O-N 2.99Å; T158-Q161 PolarHBondContact O-N 3.47Å; T158-S162 PolarHBondContact O-N 2.91Å; T158-S162 PolarHBondContact O-OG 3.41Å |
| 159 | S | 84.3 | Confident | 77.1 | Confident | 71 Ų | 71 | 105.7 Ų | 105.7 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 175.8 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | E155 E156 Q161 S162 G163 | E155-S159 WeakPolarHBondContact O-CB 3.22Å; E155-S159 PolarHBondContact O-N 2.94Å; E156-S159 PolarHBondContact O-N 2.68Å; S159-Q161 PolarHBondContact O-N 3.31Å; S159-S162 WeakPolarHBondContact CA-OG 3.48Å; S159-S162 CarbonylContact O-C 3.59Å; S159-S162 PolarHBondContact O-N 3.03Å; S159-S162 VanDerWaalsContact O-N 3.15Å; S159-S162 PolarHBondContact O-OG 3.31Å; S159-G163 PolarHBondContact O-N 2.82Å |
| 160 | N | 77.7 | Confident | 75.3 | Confident | 103 Ų | 103 | 101.4 Ų | 101.4 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.7 | -39.9 | 174.9 | -76.3 | -53.8 | 0 | 0 | 0 | 112.8 | E156 T158 G163 L164 | E156-N160 WeakPolarHBondContact CG-ND2 3.2Å; E156-N160 WeakPolarHBondContact O-CB 3.44Å; E156-N160 VanDerWaalsContact O-CG 3.32Å; E156-N160 PolarHBondContact O-N 2.95Å; E156-N160 PolarHBondContact O-ND2 2.73Å; T158-N160 PolarHBondContact O-N 2.99Å; N160-G163 PolarHBondContact O-N 3.24Å; N160-L164 PolarHBondContact O-N 3.41Å |
| 161 | Q | 70.9 | Confident | 73.5 | Confident | 144 Ų | 144 | 100.5 Ų | 100.5 | 67% | 0.673 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -39.5 | 173.9 | -177.6 | 173 | -7.6 | 0 | 0 | 112 | A157 T158 S159 L164 H165 | A157-Q161 PolarHBondContact O-N 3.07Å; T158-Q161 PolarHBondContact O-N 3.47Å; S159-Q161 PolarHBondContact O-N 3.31Å; Q161-L164 WeakPolarHBondContact O-CB 3.32Å; Q161-L164 PolarHBondContact O-N 3.15Å; Q161-H165 PolarHBondContact O-N 3.41Å; Q161-H165 VanDerWaalsContact O-N 3.07Å |
| 162 | S | 63.6 | Low | 72 | Confident | 56 Ų | 56 | 99.4 Ų | 99.4 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68 | -36 | 174.4 | 73.1 | 0 | 0 | 0 | 0 | 112.3 | T158 S159 L164 H165 Y166 | T158-S162 PolarHBondContact O-N 2.91Å; T158-S162 PolarHBondContact O-OG 3.41Å; S159-S162 WeakPolarHBondContact CA-OG 3.48Å; S159-S162 CarbonylContact O-C 3.59Å; S159-S162 PolarHBondContact O-N 3.03Å; S159-S162 VanDerWaalsContact O-N 3.15Å; S159-S162 PolarHBondContact O-OG 3.31Å; S162-L164 VanDerWaalsContact C-N 3.3Å; S162-L164 PolarHBondContact O-N 3.19Å; S162-H165 WeakPolarHBondContact O-CA 3.33Å; S162-H165 WeakPolarHBondContact O-CB 3.49Å; S162-H165 PolarHBondContact O-N 3.19Å; S162-H165 VanDerWaalsContact O-N 3.09Å; S162-Y166 VanDerWaalsContact O-CD2 3.22Å; S162-Y166 WeakPolarHBondContact O-CD2 3.4Å; S162-Y166 PolarHBondContact O-N 3.24Å |
| 163 | G | 60 | Low | 70.4 | Confident | 33 Ų | 33 | 102.9 Ų | 102.9 | 34% | 0.34 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.8 | -35 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S159 N160 Y166 L167 | S159-G163 PolarHBondContact O-N 2.82Å; N160-G163 PolarHBondContact O-N 3.24Å; G163-Y166 PolarHBondContact O-N 3.34Å; G163-L167 PolarHBondContact O-N 3.48Å |
| 164 | L | 58.3 | Low | 68.8 | Low | 124 Ų | 124 | 104.1 Ų | 104.1 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.3 | -38.7 | 170.6 | -162.2 | 105.8 | 0 | 0 | 0 | 111.7 | N160 Q161 S162 L167 Q168 | N160-L164 PolarHBondContact O-N 3.41Å; Q161-L164 WeakPolarHBondContact O-CB 3.32Å; Q161-L164 PolarHBondContact O-N 3.15Å; S162-L164 VanDerWaalsContact C-N 3.3Å; S162-L164 PolarHBondContact O-N 3.19Å; L164-L167 PolarHBondContact O-N 3Å; L164-Q168 PolarHBondContact O-N 3.09Å |
| 165 | H | 55.2 | Low | 67.4 | Low | 123 Ų | 123 | 103.6 Ų | 103.6 | 57% | 0.569 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.5 | -37.9 | 176 | -172.8 | -90.7 | 0 | 0 | 0 | 112.5 | Q161 S162 L167 Q168 D169 | Q161-H165 PolarHBondContact O-N 3.41Å; Q161-H165 VanDerWaalsContact O-N 3.07Å; S162-H165 WeakPolarHBondContact O-CA 3.33Å; S162-H165 WeakPolarHBondContact O-CB 3.49Å; S162-H165 PolarHBondContact O-N 3.19Å; S162-H165 VanDerWaalsContact O-N 3.09Å; H165-L167 VanDerWaalsContact C-N 3.31Å; H165-L167 PolarHBondContact O-N 3.15Å; H165-Q168 WeakPolarHBondContact O-CB 3.36Å; H165-Q168 PolarHBondContact O-N 3.42Å; H165-Q168 VanDerWaalsContact O-N 3.15Å; H165-D169 PolarHBondContact O-N 3.43Å |
| 166 | Y | 56.2 | Low | 66.3 | Low | 169 Ų | 169 | 102.6 Ų | 102.6 | 66% | 0.663 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.7 | -29.7 | 173.8 | -83 | -75.2 | 0 | 0 | 0 | 113.6 | S162 G163 Q168 A170 | S162-Y166 VanDerWaalsContact O-CD2 3.22Å; S162-Y166 WeakPolarHBondContact O-CD2 3.4Å; S162-Y166 PolarHBondContact O-N 3.24Å; G163-Y166 PolarHBondContact O-N 3.34Å; Y166-Q168 VanDerWaalsContact C-N 3.35Å; Y166-A170 PolarHBondContact O-N 2.82Å |
| 167 | L | 58.8 | Low | 65.2 | Low | 133 Ų | 133 | 101 Ų | 101 | 70% | 0.696 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -70.1 | -32.6 | 171.7 | -102.7 | 80.5 | 0 | 0 | 0 | 112.2 | G163 L164 H165 D171 | G163-L167 PolarHBondContact O-N 3.48Å; L164-L167 PolarHBondContact O-N 3Å; H165-L167 VanDerWaalsContact C-N 3.31Å; H165-L167 PolarHBondContact O-N 3.15Å; L167-D171 PolarHBondContact O-N 3.49Å |
| 168 | Q | 57.7 | Low | 64.1 | Low | 125 Ų | 125 | 102.9 Ų | 102.9 | 58% | 0.584 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68.1 | -41.9 | 177.7 | -159.1 | 77.2 | 30.3 | 0 | 0 | 111.5 | L164 H165 Y166 D171 E172 | L164-Q168 PolarHBondContact O-N 3.09Å; H165-Q168 WeakPolarHBondContact O-CB 3.36Å; H165-Q168 PolarHBondContact O-N 3.42Å; H165-Q168 VanDerWaalsContact O-N 3.15Å; Y166-Q168 VanDerWaalsContact C-N 3.35Å; Q168-D171 PolarHBondContact O-N 2.93Å; Q168-E172 PolarHBondContact O-N 3.1Å |
| 169 | D | 56.4 | Low | 63.5 | Low | 82 Ų | 82 | 102.3 Ų | 102.3 | 44% | 0.439 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 178.7 | -119.7 | -3.9 | 0 | 0 | 0 | 111.9 | H165 D171 E172 E173 | H165-D169 PolarHBondContact O-N 3.43Å; D169-D171 VanDerWaalsContact C-N 3.27Å; D169-D171 PolarHBondContact O-N 3Å; D169-E172 PolarHBondContact O-N 3.32Å; D169-E173 PolarHBondContact O-N 2.9Å |
| 170 | A | 59.4 | Low | 62.9 | Low | 60 Ų | 60 | 108.3 Ų | 108.3 | 50% | 0.496 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.8 | -30.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y166 | Y166-A170 PolarHBondContact O-N 2.82Å |
| 171 | D | 57.5 | Low | 62.3 | Low | 79 Ų | 79 | 107.8 Ų | 107.8 | 42% | 0.422 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -82 | -28.5 | 174.6 | -140.2 | 34.8 | 0 | 0 | 0 | 111.7 | L167 Q168 D169 R174 V175 | L167-D171 PolarHBondContact O-N 3.49Å; Q168-D171 PolarHBondContact O-N 2.93Å; D169-D171 VanDerWaalsContact C-N 3.27Å; D169-D171 PolarHBondContact O-N 3Å; D171-R174 PolarHBondContact O-N 2.99Å; D171-R174 IonicContact OD1-NE 3.91Å; D171-R174 IonicContact OD1-NH2 3.38Å; D171-R174 PolarHBondContact OD1-NH2 3.09Å; D171-V175 WeakPolarHBondContact O-CG2 3.37Å; D171-V175 PolarHBondContact O-N 3.44Å |
| 172 | E | 63.6 | Low | 61.7 | Low | 93 Ų | 93 | 104.9 Ų | 104.9 | 44% | 0.435 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.2 | -38.7 | 177.3 | -152 | -179.2 | 137.6 | 0 | 0 | 112.6 | Q168 D169 R174 V175 K176 | Q168-E172 PolarHBondContact O-N 3.1Å; D169-E172 PolarHBondContact O-N 3.32Å; E172-R174 VanDerWaalsContact C-N 3.35Å; E172-V175 PolarHBondContact O-N 2.93Å; E172-K176 WeakPolarHBondContact O-CB 3.39Å; E172-K176 WeakPolarHBondContact O-CD 3.28Å; E172-K176 VanDerWaalsContact O-CG 3.25Å; E172-K176 WeakPolarHBondContact O-CG 3.25Å; E172-K176 PolarHBondContact O-N 2.93Å; E172-K176 WeakPolarHBondContact OE1-CE 3.49Å; E172-K176 IonicContact OE1-NZ 3.36Å; E172-K176 PolarHBondContact OE1-NZ 3.25Å |
| 173 | E | 59.7 | Low | 61.4 | Low | 141 Ų | 141 | 110.3 Ų | 110.3 | 66% | 0.659 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.7 | -33.9 | 171.5 | -70.7 | -138.5 | 149.5 | 0 | 0 | 112.7 | D169 K176 T177 | D169-E173 PolarHBondContact O-N 2.9Å; E173-K176 PolarHBondContact O-N 2.9Å; E173-T177 WeakPolarHBondContact O-CB 3.4Å; E173-T177 VanDerWaalsContact O-CG2 3.28Å; E173-T177 WeakPolarHBondContact O-CG2 3.21Å; E173-T177 PolarHBondContact O-N 2.99Å; E173-T177 PolarHBondContact O-OG1 3.41Å |
| 174 | R | 61.7 | Low | 60.9 | Low | 169 Ų | 169 | 120.7 Ų | 120.7 | 64% | 0.638 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.2 | -35.6 | 174.8 | -77.3 | -143.7 | -65.4 | -108.4 | -7.8 | 112.9 | D171 E172 T177 S178 | D171-R174 PolarHBondContact O-N 2.99Å; D171-R174 IonicContact OD1-NE 3.91Å; D171-R174 IonicContact OD1-NH2 3.38Å; D171-R174 PolarHBondContact OD1-NH2 3.09Å; E172-R174 VanDerWaalsContact C-N 3.35Å; R174-T177 WeakPolarHBondContact CA-OG1 3.36Å; R174-T177 PolarHBondContact O-OG1 3.22Å; R174-S178 VanDerWaalsContact O-CB 3.28Å; R174-S178 WeakPolarHBondContact O-CB 3.36Å; R174-S178 PolarHBondContact O-N 3.3Å |
| 175 | V | 61.9 | Low | 61 | Low | 82 Ų | 82 | 120.6 Ų | 120.6 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -69.1 | -40.6 | 172.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | D171 E172 T177 S178 T179 | D171-V175 WeakPolarHBondContact O-CG2 3.37Å; D171-V175 PolarHBondContact O-N 3.44Å; E172-V175 PolarHBondContact O-N 2.93Å; V175-T177 PolarHBondContact O-N 3.14Å; V175-S178 PolarHBondContact O-N 3.25Å; V175-T179 HydrophobicContact CG1-CG2 4.38Å; V175-T179 WeakPolarHBondContact O-CB 3.4Å; V175-T179 WeakPolarHBondContact O-CG2 3.42Å; V175-T179 PolarHBondContact O-N 3.04Å; V175-T179 PolarHBondContact O-OG1 3.28Å |
| 176 | K | 67.4 | Low | 61.3 | Low | 113 Ų | 113 | 120.4 Ų | 120.4 | 49% | 0.491 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.9 | -38.4 | 176.2 | -73.9 | 166.2 | -174.8 | 161.1 | 0 | 112.7 | E172 E173 T179 R180 | E172-K176 WeakPolarHBondContact O-CB 3.39Å; E172-K176 WeakPolarHBondContact O-CD 3.28Å; E172-K176 VanDerWaalsContact O-CG 3.25Å; E172-K176 WeakPolarHBondContact O-CG 3.25Å; E172-K176 PolarHBondContact O-N 2.93Å; E172-K176 WeakPolarHBondContact OE1-CE 3.49Å; E172-K176 IonicContact OE1-NZ 3.36Å; E172-K176 PolarHBondContact OE1-NZ 3.25Å; E173-K176 PolarHBondContact O-N 2.9Å; K176-T179 WeakPolarHBondContact CA-OG1 3.47Å; K176-T179 PolarHBondContact O-OG1 3.2Å; K176-T179 VanDerWaalsContact O-OG1 3.1Å; K176-R180 WeakPolarHBondContact O-CB 3.41Å; K176-R180 PolarHBondContact O-N 3.22Å; K176-R180 VanDerWaalsContact O-N 3.09Å |
| 177 | T | 67.6 | Low | 61.6 | Low | 89 Ų | 89 | 117.7 Ų | 117.7 | 55% | 0.546 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -73.4 | -39.2 | 176.5 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | E173 R174 V175 S181 | E173-T177 WeakPolarHBondContact O-CB 3.4Å; E173-T177 VanDerWaalsContact O-CG2 3.28Å; E173-T177 WeakPolarHBondContact O-CG2 3.21Å; E173-T177 PolarHBondContact O-N 2.99Å; E173-T177 PolarHBondContact O-OG1 3.41Å; R174-T177 WeakPolarHBondContact CA-OG1 3.36Å; R174-T177 PolarHBondContact O-OG1 3.22Å; V175-T177 PolarHBondContact O-N 3.14Å; T177-S181 WeakPolarHBondContact O-CB 3.28Å; T177-S181 PolarHBondContact O-N 2.7Å |
| 178 | S | 65.1 | Low | 61.8 | Low | 82 Ų | 82 | 116.8 Ų | 116.8 | 57% | 0.573 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.3 | -44.3 | 175.9 | -169 | 0 | 0 | 0 | 0 | 112.4 | R174 V175 S181 A182 | R174-S178 VanDerWaalsContact O-CB 3.28Å; R174-S178 WeakPolarHBondContact O-CB 3.36Å; R174-S178 PolarHBondContact O-N 3.3Å; V175-S178 PolarHBondContact O-N 3.25Å; S178-S181 PolarHBondContact O-N 2.9Å; S178-A182 PolarHBondContact O-N 3.38Å |
| 179 | T | 71.4 | Confident | 62.1 | Low | 78 Ų | 78 | 116.3 Ų | 116.3 | 48% | 0.479 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.8 | -44.5 | 175.2 | 45.5 | 0 | 0 | 0 | 0 | 112.1 | V175 K176 S181 A182 | V175-T179 HydrophobicContact CG1-CG2 4.38Å; V175-T179 WeakPolarHBondContact O-CB 3.4Å; V175-T179 WeakPolarHBondContact O-CG2 3.42Å; V175-T179 PolarHBondContact O-N 3.04Å; V175-T179 PolarHBondContact O-OG1 3.28Å; K176-T179 WeakPolarHBondContact CA-OG1 3.47Å; K176-T179 PolarHBondContact O-OG1 3.2Å; K176-T179 VanDerWaalsContact O-OG1 3.1Å; T179-S181 VanDerWaalsContact C-N 3.25Å; T179-S181 PolarHBondContact O-N 3.42Å; T179-A182 PolarHBondContact O-N 3Å; T179-A182 VanDerWaalsContact O-N 3.14Å |
| 180 | R | 71.4 | Confident | 62.4 | Low | 196 Ų | 196 | 118.6 Ų | 118.6 | 74% | 0.74 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.7 | -30 | 175.7 | -173.5 | 176.6 | 179.2 | 96.2 | -0.1 | 113.4 | K176 | K176-R180 WeakPolarHBondContact O-CB 3.41Å; K176-R180 PolarHBondContact O-N 3.22Å; K176-R180 VanDerWaalsContact O-N 3.09Å |
| 181 | S | 64.6 | Low | 62.6 | Low | 93 Ų | 93 | 122.8 Ų | 122.8 | 65% | 0.65 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -80.9 | -15.3 | 177.6 | -162.5 | 0 | 0 | 0 | 0 | 113.7 | T177 S178 T179 | T177-S181 WeakPolarHBondContact O-CB 3.28Å; T177-S181 PolarHBondContact O-N 2.7Å; S178-S181 PolarHBondContact O-N 2.9Å; T179-S181 VanDerWaalsContact C-N 3.25Å; T179-S181 PolarHBondContact O-N 3.42Å |
| 182 | A | 58.8 | Low | 63 | Low | 82 Ų | 82 | 126.2 Ų | 126.2 | 68% | 0.678 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -90.1 | -5.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S178 T179 | S178-A182 PolarHBondContact O-N 3.38Å; T179-A182 PolarHBondContact O-N 3Å; T179-A182 VanDerWaalsContact O-N 3.14Å |
| 183 | E | 56.4 | Low | 63 | Low | 170 Ų | 170 | 128.9 Ų | 128.9 | 79% | 0.794 | 65% | 0.654 | S | S | * | * | trans | -96.7 | 6.4 | 178.3 | -69.3 | -173.5 | 160.8 | 0 | 0 | 114 | ||||
| 184 | F | 49.8 | Very low | 63.3 | Low | 252 Ų | 252 | 127.8 Ų | 127.8 | 100% | 1.105 | 65% | 0.654 | S | S | * | * | trans | -112.9 | 0 | 171.3 | -100.9 | -83.6 | 0 | 0 | 0 | 110.7 |
Retrieved 184 of 184 residues in 559.3 ms
(Link to these results)