| 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 | 43.1 | Very low | 44 | Very low | 243 Ų | 243 | 131 Ų | 131 | 100% | 1.197 | 87% | 0.869 | S | S | * | * | 0 | 157 | 0 | -73.5 | -178.3 | 172.4 | 0 | 0 | 108.2 | |||||
| 2 | A | 47.9 | Very low | 43.5 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 88% | 0.884 | 86% | 0.861 | S | S | * | * | trans | 63.5 | 127.1 | -156.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 3 | S | 41 | Very low | 42.9 | Very low | 126 Ų | 126 | 126 Ų | 126 | 88% | 0.881 | 86% | 0.86 | S | S | * | * | trans | -149.7 | 135.3 | -175.4 | 46.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 4 | G | 45 | Very low | 42.6 | Very low | 77 Ų | 77 | 124.7 Ų | 124.7 | 79% | 0.794 | 86% | 0.863 | S | S | * | * | trans | -156.3 | 116 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 5 | P | 50.3 | Low | 42.1 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 73% | 0.734 | 86% | 0.863 | S | S | * | * | trans | -117.4 | 168 | -158.5 | 42.8 | -36 | 0 | 0 | 0 | 116.2 | ||||
| 6 | H | 40.2 | Very low | 42.2 | Very low | 167 Ų | 167 | 123.7 Ų | 123.7 | 77% | 0.773 | 87% | 0.865 | S | S | * | * | trans | 47.6 | 125.8 | 155.1 | -63 | -59.3 | 0 | 0 | 0 | 121.4 | ||||
| 7 | S | 49.2 | Very low | 42 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 90% | 0.895 | 86% | 0.863 | S | S | * | * | -148.4 | 124.3 | 129.8 | -79.1 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 8 | T | 38.9 | Very low | 42.1 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 77% | 0.767 | 86% | 0.864 | S | S | * | * | trans | -122.8 | 127.7 | 176.8 | 45.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 9 | A | 46.2 | Very low | 41.9 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 88% | 0.884 | 86% | 0.859 | S | S | * | * | trans | -127 | 117.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 10 | T | 38 | Very low | 42.1 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 88% | 0.877 | 85% | 0.852 | S | S | * | * | trans | -112.2 | 129 | 177.1 | -35.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 11 | A | 44.2 | Very low | 42 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 87% | 0.868 | 85% | 0.847 | S | S | * | * | trans | -132 | 140 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 12 | A | 37.5 | Very low | 41.9 | Very low | 94 Ų | 94 | 113.4 Ų | 113.4 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | trans | -136.8 | 156.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 13 | A | 35.6 | Very low | 41.4 | Very low | 103 Ų | 103 | 112.5 Ų | 112.5 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | 52.4 | 111.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 14 | A | 38.9 | Very low | 41.2 | Very low | 108 Ų | 108 | 110.3 Ų | 110.3 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | -150.7 | 143.7 | 128.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 15 | A | 35.8 | Very low | 40.7 | Very low | 105 Ų | 105 | 112.9 Ų | 112.9 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | trans | -139.6 | 137.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 16 | S | 43 | Very low | 40.2 | Very low | 128 Ų | 128 | 113.4 Ų | 113.4 | 90% | 0.895 | 84% | 0.843 | S | S | * | * | trans | -155.1 | 133.1 | 174.5 | 55.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 17 | S | 39.6 | Very low | 40 | Very low | 119 Ų | 119 | 111.5 Ų | 111.5 | 83% | 0.832 | 85% | 0.849 | S | S | * | * | trans | -97 | 147.4 | -173 | 53.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 18 | A | 43 | Very low | 39.4 | Very low | 106 Ų | 106 | 108.3 Ų | 108.3 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | trans | -160.5 | 143.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 19 | A | 38.7 | Very low | 39 | Very low | 93 Ų | 93 | 109.1 Ų | 109.1 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | trans | -151.1 | -179.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 20 | P | 45.7 | Very low | 38.3 | Very low | 112 Ų | 112 | 109.9 Ų | 109.9 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | cis | -142.6 | -168 | 5.6 | 40.9 | -19.8 | 0 | 0 | 0 | 115.8 | ||||
| 21 | S | 40.4 | Very low | 38.2 | Very low | 107 Ų | 107 | 108.4 Ų | 108.4 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | 86.1 | 129.9 | 136.9 | 69.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 22 | A | 41.8 | Very low | 37.4 | Very low | 108 Ų | 108 | 109 Ų | 109 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | 85.4 | 123.1 | 135.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 23 | G | 36.6 | Very low | 37.1 | Very low | 88 Ų | 88 | 110.1 Ų | 110.1 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | 120.3 | 126.3 | 142 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 24 | G | 36.5 | Very low | 36.9 | Very low | 81 Ų | 81 | 110.5 Ų | 110.5 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 128.3 | 90.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 25 | S | 34.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 111.8 Ų | 111.8 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -86.3 | 140.4 | 176.6 | -51.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 26 | S | 41.2 | Very low | 36.6 | Very low | 124 Ų | 124 | 112.5 Ų | 112.5 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -149.3 | 157.6 | 155.2 | 63.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 27 | S | 34.6 | Very low | 36.8 | Very low | 127 Ų | 127 | 112.8 Ų | 112.8 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -88.9 | 134.3 | -164.9 | 44.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 28 | G | 36.5 | Very low | 37.1 | Very low | 61 Ų | 61 | 109.4 Ų | 109.4 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | -149.7 | 101.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | T30 | G28-T30 PolarHBondContact O-N 2.97Å; G28-T30 PolarHBondContact O-OG1 3.38Å | ||
| 29 | T | 31.8 | Very low | 37.9 | Very low | 143 Ų | 143 | 105.6 Ų | 105.6 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | trans | -61.7 | 104.3 | -178.9 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 30 | T | 31.5 | Very low | 39.4 | Very low | 122 Ų | 122 | 105.8 Ų | 105.8 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | trans | -104.9 | 107.7 | 175.9 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | G28 T32 | G28-T30 PolarHBondContact O-N 2.97Å; G28-T30 PolarHBondContact O-OG1 3.38Å; T30-T32 PolarHBondContact O-N 3.3Å | ||
| 31 | T | 34.2 | Very low | 40.6 | Very low | 113 Ų | 113 | 106.3 Ų | 106.3 | 69% | 0.693 | 73% | 0.734 | S | S | * | * | trans | -74.5 | 107.3 | 179 | -53.6 | 0 | 0 | 0 | 0 | 110.4 | T33 | T31-T33 VanDerWaalsContact C-N 3.35Å; T31-T33 HydrophobicContact CG2-CG2 4.41Å; T31-T33 PolarHBondContact O-N 2.89Å | ||
| 32 | T | 29.3 | Very low | 42.3 | Very low | 117 Ų | 117 | 106.5 Ų | 106.5 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | trans | -71.9 | 83.2 | 178.7 | -42.2 | 0 | 0 | 0 | 0 | 111.5 | T30 T34 | T30-T32 PolarHBondContact O-N 3.3Å; T32-T34 VanDerWaalsContact C-N 3.32Å; T32-T34 HydrophobicContact CG2-CG2 4.38Å; T32-T34 PolarHBondContact O-N 3.41Å | ||
| 33 | T | 31.2 | Very low | 44.1 | Very low | 118 Ų | 118 | 104.3 Ų | 104.3 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | trans | -72.7 | 85.1 | 172.6 | 46.4 | 0 | 0 | 0 | 0 | 110.9 | T31 T35 | T31-T33 VanDerWaalsContact C-N 3.35Å; T31-T33 HydrophobicContact CG2-CG2 4.41Å; T31-T33 PolarHBondContact O-N 2.89Å; T33-T35 PolarHBondContact O-N 3.37Å; T33-T35 VanDerWaalsContact O-N 3.17Å | ||
| 34 | T | 30.9 | Very low | 46 | Very low | 111 Ų | 111 | 108.4 Ų | 108.4 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | trans | -67.5 | 103.5 | 165.5 | 38.5 | 0 | 0 | 0 | 0 | 109.3 | T32 T36 | T32-T34 VanDerWaalsContact C-N 3.32Å; T32-T34 HydrophobicContact CG2-CG2 4.38Å; T32-T34 PolarHBondContact O-N 3.41Å; T34-T36 PolarHBondContact O-N 2.98Å; T34-T36 PolarHBondContact O-OG1 3.41Å | ||
| 35 | T | 31.1 | Very low | 47.4 | Very low | 135 Ų | 135 | 113.1 Ų | 113.1 | 83% | 0.828 | 71% | 0.707 | S | S | * | * | trans | -72.1 | 66.9 | 178.8 | 38.4 | 0 | 0 | 0 | 0 | 111.9 | T33 T37 | T33-T35 PolarHBondContact O-N 3.37Å; T33-T35 VanDerWaalsContact O-N 3.17Å; T35-T37 PolarHBondContact O-N 2.99Å | ||
| 36 | T | 37 | Very low | 49.2 | Very low | 120 Ų | 120 | 112.7 Ų | 112.7 | 74% | 0.736 | 69% | 0.694 | S | S | * | * | trans | -63.9 | 123.9 | 172.7 | -53.3 | 0 | 0 | 0 | 0 | 108.9 | T34 G38 | T34-T36 PolarHBondContact O-N 2.98Å; T34-T36 PolarHBondContact O-OG1 3.41Å; T36-G38 PolarHBondContact O-N 2.98Å | ||
| 37 | T | 47.8 | Very low | 50.4 | Low | 134 Ų | 134 | 112.2 Ų | 112.2 | 82% | 0.822 | 67% | 0.674 | S | S | * | * | trans | -76.1 | 67.7 | -171.6 | -24.6 | 0 | 0 | 0 | 0 | 111.9 | T35 G39 | T35-T37 PolarHBondContact O-N 2.99Å; T37-G39 PolarHBondContact O-N 3.46Å | ||
| 38 | G | 44.4 | Very low | 51.8 | Low | 48 Ų | 48 | 110.8 Ų | 110.8 | 50% | 0.495 | 66% | 0.664 | S | S | . | * | trans | -75.9 | 105.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T36 | T36-G38 PolarHBondContact O-N 2.98Š| ||
| 39 | G | 61.6 | Low | 53 | Low | 26 Ų | 26 | 113.7 Ų | 113.7 | 27% | 0.268 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 152.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T37 L46 Y47 | T37-G39 PolarHBondContact O-N 3.46Å; G39-L46 VanDerWaalsContact C-CD1 3.49Å; G39-L46 WeakPolarHBondContact O-CD1 3.28Å; G39-Y47 CarbonylContact C-O 3.4Å; G39-Y47 VanDerWaalsContact C-O 3.28Å; G39-Y47 WeakPolarHBondContact CA-O 3.44Å |
| 40 | I | 68.6 | Low | 54.2 | Low | 97 Ų | 97 | 112.1 Ų | 112.1 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 116.8 | 177.3 | -54.1 | 173.4 | 0 | 0 | 0 | 108.7 | I42 Y47 | I40-I42 HydrophobicContact CG2-CD1 4.33Å; I40-I42 HydrophobicContact CG2-CG1 3.95Å; I40-Y47 PolarHBondContact N-O 3.35Å; I40-Y47 PolarHBondContact O-N 3.32Å |
| 41 | L | 71.9 | Confident | 55.3 | Low | 123 Ų | 123 | 108.6 Ų | 108.6 | 64% | 0.644 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.6 | 125.7 | 169.3 | -80.6 | 161.8 | 0 | 0 | 0 | 110.3 | L46 | L41-L46 HydrophobicContact CD2-CB 4Å; L41-L46 HydrophobicContact CD2-CD1 4.23Å; L41-L46 HydrophobicContact CG-CD1 3.9Å |
| 42 | I | 75.5 | Confident | 56.3 | Low | 111 Ų | 111 | 110.3 Ų | 110.3 | 57% | 0.569 | 64% | 0.635 | S | S | * | * | trans | -130.4 | 98.4 | 170.8 | -50.5 | 177.7 | 0 | 0 | 0 | 107.9 | I40 R45 Y47 | I40-I42 HydrophobicContact CG2-CD1 4.33Å; I40-I42 HydrophobicContact CG2-CG1 3.95Å; I42-R45 PolarHBondContact N-O 2.96Å; I42-Y47 HydrophobicContact CB-CD2 3.96Å; I42-Y47 HydrophobicContact CB-CE2 3.71Å; I42-Y47 HydrophobicContact CD1-CD2 4.17Å; I42-Y47 HydrophobicContact CD1-CE2 4.42Å; I42-Y47 HydrophobicContact CG1-CD2 4Å; I42-Y47 HydrophobicContact CG1-CE2 4.24Å | ||
| 43 | G | 80.4 | Confident | 57.6 | Low | 62 Ų | 62 | 107.7 Ų | 107.7 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 62.4 | -149.8 | -161.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R45 | G43-R45 PolarHBondContact O-N 3.34Š|
| 44 | D | 77 | Confident | 58.9 | Low | 174 Ų | 174 | 105.8 Ų | 105.8 | 93% | 0.93 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -73.5 | 20.8 | -176.6 | -39.8 | -42.1 | 0 | 0 | 0 | 114 | ||
| 45 | R | 64 | Low | 60.2 | Low | 179 Ų | 179 | 103.8 Ų | 103.8 | 68% | 0.675 | 59% | 0.589 | S | S | * | * | trans | -128.3 | 118.3 | -175.6 | -69.4 | -175.8 | -179.1 | -117.6 | -4.2 | 110.9 | I42 G43 Y47 | I42-R45 PolarHBondContact N-O 2.96Å; G43-R45 PolarHBondContact O-N 3.34Å; R45-Y47 HydrophobicContact CB-CD2 4.3Å; R45-Y47 HydrophobicContact CB-CE2 3.59Å; R45-Y47 VanDerWaalsContact O-CD2 3.23Å; R45-Y47 WeakPolarHBondContact O-CD2 3.48Å; R45-Y47 WeakPolarHBondContact O-CE2 3.26Å; R45-Y47 PolarHBondContact O-N 3.23Å | ||
| 46 | L | 73.6 | Confident | 61.4 | Low | 121 Ų | 121 | 103.1 Ų | 103.1 | 63% | 0.634 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.2 | 111.4 | 168.5 | -175.1 | 71 | 0 | 0 | 0 | 108.6 | G39 L41 | G39-L46 VanDerWaalsContact C-CD1 3.49Å; G39-L46 WeakPolarHBondContact O-CD1 3.28Å; L41-L46 HydrophobicContact CD2-CB 4Å; L41-L46 HydrophobicContact CD2-CD1 4.23Å; L41-L46 HydrophobicContact CG-CD1 3.9Å |
| 47 | Y | 64.9 | Low | 63 | Low | 115 Ų | 115 | 98.3 Ų | 98.3 | 45% | 0.451 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.7 | 169.9 | -63.5 | -97.3 | 0 | 0 | 0 | 108.1 | G39 I40 I42 R45 | G39-Y47 CarbonylContact C-O 3.4Å; G39-Y47 VanDerWaalsContact C-O 3.28Å; G39-Y47 WeakPolarHBondContact CA-O 3.44Å; I40-Y47 PolarHBondContact N-O 3.35Å; I40-Y47 PolarHBondContact O-N 3.32Å; I42-Y47 HydrophobicContact CB-CD2 3.96Å; I42-Y47 HydrophobicContact CB-CE2 3.71Å; I42-Y47 HydrophobicContact CD1-CD2 4.17Å; I42-Y47 HydrophobicContact CD1-CE2 4.42Å; I42-Y47 HydrophobicContact CG1-CD2 4Å; I42-Y47 HydrophobicContact CG1-CE2 4.24Å; R45-Y47 HydrophobicContact CB-CD2 4.3Å; R45-Y47 HydrophobicContact CB-CE2 3.59Å; R45-Y47 VanDerWaalsContact O-CD2 3.23Å; R45-Y47 WeakPolarHBondContact O-CD2 3.48Å; R45-Y47 WeakPolarHBondContact O-CE2 3.26Å; R45-Y47 PolarHBondContact O-N 3.23Å |
| 48 | S | 65.5 | Low | 64.4 | Low | 97 Ų | 97 | 94.4 Ų | 94.4 | 68% | 0.678 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 148.1 | 169.3 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | V50 | S48-V50 PolarHBondContact O-N 2.92Š|
| 49 | E | 61.1 | Low | 66 | Low | 122 Ų | 122 | 93.3 Ų | 93.3 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 125.1 | 171.3 | -172 | -170.3 | 163.1 | 0 | 0 | 110.1 | S51 | E49-S51 PolarHBondContact O-N 2.98Š|
| 50 | V | 56.6 | Low | 66.8 | Low | 109 Ų | 109 | 95.4 Ų | 95.4 | 66% | 0.661 | 51% | 0.513 | S | S | * | . | trans | -85.3 | 67.9 | -178.5 | -170.5 | 0 | 0 | 0 | 0 | 109.1 | S48 L52 | S48-V50 PolarHBondContact O-N 2.92Å; V50-L52 HydrophobicContact CG1-CD2 3.98Å; V50-L52 HydrophobicContact CG1-CG 4.12Å; V50-L52 PolarHBondContact O-N 3.4Å; V50-L52 VanDerWaalsContact O-N 3.11Å | ||
| 51 | S | 54.6 | Low | 67.2 | Low | 48 Ų | 48 | 96.5 Ų | 96.5 | 34% | 0.336 | 52% | 0.516 | S | S | . | . | trans | -65.1 | 105.7 | 173.8 | -175.3 | 0 | 0 | 0 | 0 | 109.4 | E49 T53 H56 | E49-S51 PolarHBondContact O-N 2.98Å; S51-T53 VanDerWaalsContact C-N 3.34Å; S51-T53 PolarHBondContact O-N 2.88Å; S51-H56 WeakPolarHBondContact CB-NE2 3.34Å; S51-H56 PolarHBondContact O-CD2 2.82Å; S51-H56 PolarHBondContact O-NE2 3.23Å; S51-H56 PolarHBondContact OG-NE2 3.12Å; S51-H56 VanDerWaalsContact OG-NE2 3.07Å | ||
| 52 | L | 54.7 | Low | 67.3 | Low | 149 Ų | 149 | 98.7 Ų | 98.7 | 78% | 0.78 | 52% | 0.523 | S | S | * | . | trans | -97.6 | 46.2 | 176.5 | -63.3 | -178.5 | 0 | 0 | 0 | 111.6 | V50 | V50-L52 HydrophobicContact CG1-CD2 3.98Å; V50-L52 HydrophobicContact CG1-CG 4.12Å; V50-L52 PolarHBondContact O-N 3.4Å; V50-L52 VanDerWaalsContact O-N 3.11Å | ||
| 53 | T | 56.9 | Low | 67.4 | Low | 63 Ų | 63 | 101.6 Ų | 101.6 | 39% | 0.387 | 53% | 0.527 | S | S | . | . | trans | -70.2 | 154.3 | 166.5 | 67 | 0 | 0 | 0 | 0 | 110.3 | S51 D55 H56 | S51-T53 VanDerWaalsContact C-N 3.34Å; S51-T53 PolarHBondContact O-N 2.88Å; T53-D55 PolarHBondContact O-N 3.41Å; T53-H56 PolarHBondContact OG1-CD2 3.32Å; T53-H56 PolarHBondContact OG1-NE2 3.47Å | ||
| 54 | I | 59.2 | Low | 67.4 | Low | 78 Ų | 78 | 99.7 Ų | 99.7 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -63.6 | -22.7 | 177.8 | -66.3 | 167.9 | 0 | 0 | 0 | 111 | S57 K199 | I54-S57 WeakPolarHBondContact O-CB 3.38Å; I54-S57 PolarHBondContact O-N 3.42Å; I54-K199 HydrophobicContact CG2-CD 4.26Å; I54-K199 HydrophobicContact CG2-CG 4.36Å |
| 55 | D | 57.4 | Low | 67.7 | Low | 69 Ų | 69 | 95.1 Ų | 95.1 | 37% | 0.369 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -85.5 | -16.1 | -165.3 | -38.5 | -68.9 | 0 | 0 | 0 | 112.4 | T53 S57 K199 | T53-D55 PolarHBondContact O-N 3.41Å; D55-S57 PolarHBondContact O-N 2.61Å; D55-K199 IonicContact OD1-NZ 2.62Å; D55-K199 PolarHBondContact OD1-NZ 2.97Å |
| 56 | H | 56.5 | Low | 68.7 | Low | 120 Ų | 120 | 90.2 Ų | 90.2 | 56% | 0.556 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -66.6 | 12.3 | 164.4 | -66.5 | -66.8 | 0 | 0 | 0 | 113.9 | S51 T53 L58 | S51-H56 WeakPolarHBondContact CB-NE2 3.34Å; S51-H56 PolarHBondContact O-CD2 2.82Å; S51-H56 PolarHBondContact O-NE2 3.23Å; S51-H56 PolarHBondContact OG-NE2 3.12Å; S51-H56 VanDerWaalsContact OG-NE2 3.07Å; T53-H56 PolarHBondContact OG1-CD2 3.32Å; T53-H56 PolarHBondContact OG1-NE2 3.47Å; H56-L58 VanDerWaalsContact C-N 3.31Å |
| 57 | S | 70.4 | Confident | 69.6 | Low | 19 Ų | 19 | 84.5 Ų | 84.5 | 13% | 0.133 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -70.8 | -22.5 | 170 | 170.7 | 0 | 0 | 0 | 0 | 113.7 | I54 D55 R113 | I54-S57 WeakPolarHBondContact O-CB 3.38Å; I54-S57 PolarHBondContact O-N 3.42Å; D55-S57 PolarHBondContact O-N 2.61Å; S57-R113 PolarHBondContact OG-NE 3.01Å; S57-R113 VanDerWaalsContact OG-NE 3.11Å; S57-R113 PolarHBondContact OG-NH2 3.12Å |
| 58 | L | 78.2 | Confident | 70.9 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 27% | 0.272 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -78.6 | 146.1 | -176.9 | -60.6 | -174.1 | 0 | 0 | 0 | 111.1 | H56 F240 Q241 | H56-L58 VanDerWaalsContact C-N 3.31Å; L58-F240 WeakPolarHBondContact CD2-O 3.32Å; L58-Q241 HydrophobicContact CD1-CG 4.08Å |
| 59 | I | 78.2 | Confident | 72.2 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 13% | 0.128 | 40% | 0.399 | C | S | . | . | trans | -101 | 115.9 | -177.2 | -60.8 | -174.1 | 0 | 0 | 0 | 107.7 | R63 L64 Y116 V238 | I59-R63 HydrophobicContact CG2-CB 3.77Å; I59-L64 HydrophobicContact CB-CD2 4.24Å; I59-L64 HydrophobicContact CG2-CD2 3.94Å; I59-Y116 HydrophobicContact CD1-CD2 4.09Å; I59-Y116 HydrophobicContact CD1-CG 3.9Å; I59-V238 HydrophobicContact CB-CB 4.42Å; I59-V238 HydrophobicContact CD1-CB 3.84Å; I59-V238 HydrophobicContact CD1-CG1 4.1Å; I59-V238 HydrophobicContact CD1-CG2 4.22Å; I59-V238 HydrophobicContact CG1-CB 4.03Å; I59-V238 PolarHBondContact N-O 3.35Å | ||
| 60 | P | 77 | Confident | 73.6 | Confident | 71 Ų | 71 | 72.8 Ų | 72.8 | 46% | 0.461 | 39% | 0.386 | S | S | . | . | trans | -53.9 | 143.7 | 177.4 | -26.9 | 34.8 | 0 | 0 | 0 | 111.6 | E62 R63 | P60-E62 PolarHBondContact O-N 3.08Å; P60-E62 VanDerWaalsContact O-N 3.16Å; P60-R63 WeakPolarHBondContact O-CB 3.48Å; P60-R63 PolarHBondContact O-N 2.67Å | ||
| 61 | E | 77.5 | Confident | 75.3 | Confident | 119 Ų | 119 | 73.9 Ų | 73.9 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -62 | -32.1 | -168.8 | -53.9 | -149.1 | 116.1 | 0 | 0 | 113.1 | R63 L64 R239 | E61-R63 PolarHBondContact O-N 3.33Å; E61-L64 HydrophobicContact CB-CD1 4.18Å; E61-L64 HydrophobicContact CG-CD1 4.24Å; E61-L64 WeakPolarHBondContact O-CB 3.39Å; E61-L64 PolarHBondContact O-N 3.3Å; E61-R239 IonicContact OE1-CZ 2.76Å; E61-R239 IonicContact OE1-NE 3.33Å; E61-R239 PolarHBondContact OE1-NE 3.13Å; E61-R239 IonicContact OE1-NH2 3.48Å; E61-R239 PolarHBondContact OE1-NH2 3.47Å |
| 62 | E | 75 | Confident | 77.1 | Confident | 169 Ų | 169 | 72.7 Ų | 72.7 | 79% | 0.79 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -50.1 | -26.6 | 169.1 | -57.1 | 175.4 | 172.9 | 0 | 0 | 114.3 | P60 | P60-E62 PolarHBondContact O-N 3.08Å; P60-E62 VanDerWaalsContact O-N 3.16Å |
| 63 | R | 77.4 | Confident | 78.8 | Confident | 173 Ų | 173 | 67.3 Ų | 67.3 | 65% | 0.653 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -99.1 | -6.1 | 179.6 | -62.7 | -173.3 | -179.7 | -178.5 | 2.8 | 113.6 | I59 P60 E61 | I59-R63 HydrophobicContact CG2-CB 3.77Å; P60-R63 WeakPolarHBondContact O-CB 3.48Å; P60-R63 PolarHBondContact O-N 2.67Å; E61-R63 PolarHBondContact O-N 3.33Å |
| 64 | L | 78.9 | Confident | 80.4 | Confident | 21 Ų | 21 | 64.5 Ų | 64.5 | 11% | 0.11 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -29.1 | 172.5 | -56.8 | 173.2 | 0 | 0 | 0 | 111.2 | I59 E61 T67 Y116 V238 R239 | I59-L64 HydrophobicContact CB-CD2 4.24Å; I59-L64 HydrophobicContact CG2-CD2 3.94Å; E61-L64 HydrophobicContact CB-CD1 4.18Å; E61-L64 HydrophobicContact CG-CD1 4.24Å; E61-L64 WeakPolarHBondContact O-CB 3.39Å; E61-L64 PolarHBondContact O-N 3.3Å; L64-T67 WeakPolarHBondContact O-CG2 3.2Å; L64-Y116 HydrophobicContact CD2-CD1 4.15Å; L64-Y116 HydrophobicContact CD2-CE1 3.85Å; L64-V238 HydrophobicContact CD2-CG2 4.23Å; L64-R239 HydrophobicContact CD1-CG 3.66Å; L64-R239 HydrophobicContact CD2-CG 4.24Å |
| 65 | S | 83.4 | Confident | 82 | Confident | 78 Ų | 78 | 63.3 Ų | 63.3 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -149.4 | 125.7 | 175 | 56.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 66 | P | 86.3 | Confident | 83.6 | Confident | 76 Ų | 76 | 64.4 Ų | 64.4 | 49% | 0.494 | 34% | 0.337 | S | S | . | . | S | Bend | cis | -82.6 | 128.7 | 1.1 | 32.1 | -33.4 | 0 | 0 | 0 | 112.7 | M70 Q71 | P66-M70 HydrophobicContact CB-CB 4.37Å; P66-Q71 HydrophobicContact CB-CG 4.4Å; P66-Q71 HydrophobicContact CG-CG 4.49Å; P66-Q71 PolarHBondContact O-NE2 3.23Å |
| 67 | T | 91.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | trans | -62.6 | 160.4 | 176 | 73.7 | 0 | 0 | 0 | 0 | 111.7 | L64 S69 M70 Q71 E79 Y116 | L64-T67 WeakPolarHBondContact O-CG2 3.2Å; T67-S69 PolarHBondContact O-N 3.01Å; T67-S69 VanDerWaalsContact O-N 3.12Å; T67-S69 PolarHBondContact OG1-N 2.98Å; T67-M70 HydrophobicContact CG2-SD 4.15Å; T67-M70 PolarHBondContact O-N 2.77Å; T67-M70 VanDerWaalsContact O-N 3.14Å; T67-M70 WeakPolarHBondContact OG1-CG 3.42Å; T67-M70 PolarHBondContact OG1-N 3.46Å; T67-Q71 VanDerWaalsContact O-CG 3.31Å; T67-Q71 WeakPolarHBondContact O-CG 3.42Å; T67-Q71 PolarHBondContact O-N 3.21Å; T67-E79 WeakPolarHBondContact CB-OE2 3.21Å; T67-E79 WeakPolarHBondContact CG2-OE2 3.42Å; T67-E79 PolarHBondContact OG1-OE1 2.89Å; T67-E79 PolarHBondContact OG1-OE2 3.4Å; T67-Y116 HydrophobicContact CG2-CD1 4.27Å; T67-Y116 HydrophobicContact CG2-CE1 4.03Å | ||
| 68 | P | 92.4 | Very high | 86.4 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.9 | -22.6 | 170.6 | -26.6 | 37 | 0 | 0 | 0 | 114.2 | D72 Y116 S119 | P68-D72 PolarHBondContact O-N 3.3Å; P68-Y116 WeakPolarHBondContact CD-O 3.39Å; P68-Y116 VanDerWaalsContact CG-O 3.23Å; P68-Y116 WeakPolarHBondContact CG-O 3.5Å; P68-S119 WeakPolarHBondContact O-CB 3.43Å |
| 69 | S | 92.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -77 | -42.5 | 175.4 | -45.6 | 0 | 0 | 0 | 0 | 111.5 | T67 Q71 D72 G73 L74 E79 F120 | T67-S69 PolarHBondContact O-N 3.01Å; T67-S69 VanDerWaalsContact O-N 3.12Å; T67-S69 PolarHBondContact OG1-N 2.98Å; S69-Q71 VanDerWaalsContact C-N 3.27Å; S69-Q71 PolarHBondContact O-N 2.76Å; S69-D72 CarbonylContact O-C 3.53Å; S69-D72 WeakPolarHBondContact O-CA 3.43Å; S69-D72 PolarHBondContact O-N 3.39Å; S69-G73 PolarHBondContact O-N 3.21Å; S69-L74 WeakPolarHBondContact O-CB 3.32Å; S69-L74 PolarHBondContact O-N 3.25Å; S69-E79 VanDerWaalsContact CB-CD 3.43Å; S69-E79 WeakPolarHBondContact CB-OE1 3.26Å; S69-E79 PolarHBondContact OG-OE1 3.06Å; S69-F120 WeakPolarHBondContact OG-CD2 3.45Å; S69-F120 PolarHBondContact OG-N 3.11Å |
| 70 | M | 92.6 | Very high | 87.9 | Confident | 63 Ų | 63 | 60.9 Ų | 60.9 | 31% | 0.31 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -35.3 | 172.1 | -67.4 | 171.2 | 71.2 | 0 | 0 | 111.7 | P66 T67 D72 G73 L74 L76 | P66-M70 HydrophobicContact CB-CB 4.37Å; T67-M70 HydrophobicContact CG2-SD 4.15Å; T67-M70 PolarHBondContact O-N 2.77Å; T67-M70 VanDerWaalsContact O-N 3.14Å; T67-M70 WeakPolarHBondContact OG1-CG 3.42Å; T67-M70 PolarHBondContact OG1-N 3.46Å; M70-D72 VanDerWaalsContact C-N 3.28Å; M70-D72 PolarHBondContact O-N 3.38Å; M70-G73 VanDerWaalsContact O-CA 3.28Å; M70-G73 WeakPolarHBondContact O-CA 3.43Å; M70-G73 PolarHBondContact O-N 3.1Å; M70-L74 WeakPolarHBondContact CA-O 3.5Å; M70-L76 HydrophobicContact SD-CB 4.35Å; M70-L76 HydrophobicContact SD-CD1 4.19Å |
| 71 | Q | 91.6 | Very high | 88.7 | Confident | 131 Ų | 131 | 59 Ų | 59 | 61% | 0.612 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67 | -25.4 | 172.9 | -65.7 | 168 | 26.7 | 0 | 0 | 113.2 | P66 T67 S69 | P66-Q71 HydrophobicContact CB-CG 4.4Å; P66-Q71 HydrophobicContact CG-CG 4.49Å; P66-Q71 PolarHBondContact O-NE2 3.23Å; T67-Q71 VanDerWaalsContact O-CG 3.31Å; T67-Q71 WeakPolarHBondContact O-CG 3.42Å; T67-Q71 PolarHBondContact O-N 3.21Å; S69-Q71 VanDerWaalsContact C-N 3.27Å; S69-Q71 PolarHBondContact O-N 2.76Å |
| 72 | D | 91.5 | Very high | 89.6 | Confident | 24 Ų | 24 | 53.3 Ų | 53.3 | 13% | 0.128 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 13.1 | 166.3 | -68.5 | -40.6 | 0 | 0 | 0 | 112.6 | P68 S69 M70 S119 V121 K122 L310 | P68-D72 PolarHBondContact O-N 3.3Å; S69-D72 CarbonylContact O-C 3.53Å; S69-D72 WeakPolarHBondContact O-CA 3.43Å; S69-D72 PolarHBondContact O-N 3.39Å; M70-D72 VanDerWaalsContact C-N 3.28Å; M70-D72 PolarHBondContact O-N 3.38Å; D72-S119 WeakPolarHBondContact OD2-CB 3.5Å; D72-S119 PolarHBondContact OD2-OG 3.38Å; D72-V121 HydrophobicContact CB-CB 3.83Å; D72-V121 HydrophobicContact CB-CG1 4.26Å; D72-V121 HydrophobicContact CB-CG2 3.78Å; D72-K122 WeakPolarHBondContact OD1-CE 3.34Å; D72-K122 IonicContact OD1-NZ 2.67Å; D72-K122 PolarHBondContact OD1-NZ 3.14Å; D72-K122 WeakPolarHBondContact OD2-CD 3.38Å; D72-K122 WeakPolarHBondContact OD2-CE 3.32Å; D72-K122 WeakPolarHBondContact OD2-CG 3.12Å; D72-K122 IonicContact OD2-NZ 3.16Å; D72-K122 PolarHBondContact OD2-NZ 2.86Å; D72-L310 HydrophobicContact CB-CD2 4.27Å; D72-L310 WeakPolarHBondContact OD1-CD2 3.47Å |
| 73 | G | 90.4 | Very high | 90.6 | Very high | 36 Ų | 36 | 45.7 Ų | 45.7 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -3.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | S69 M70 D75 R306 | S69-G73 PolarHBondContact O-N 3.21Å; M70-G73 VanDerWaalsContact O-CA 3.28Å; M70-G73 WeakPolarHBondContact O-CA 3.43Å; M70-G73 PolarHBondContact O-N 3.1Å; G73-D75 PolarHBondContact O-N 2.84Å; G73-R306 PolarHBondContact O-NH1 2.86Å |
| 74 | L | 91.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | -65.7 | 134.8 | -179.7 | -172.1 | 65.9 | 0 | 0 | 0 | 110.7 | S69 M70 E79 L82 F120 V121 V303 | S69-L74 WeakPolarHBondContact O-CB 3.32Å; S69-L74 PolarHBondContact O-N 3.25Å; M70-L74 WeakPolarHBondContact CA-O 3.5Å; L74-E79 HydrophobicContact CD2-CB 4.07Å; L74-E79 HydrophobicContact CG-CB 4.48Å; L74-L82 HydrophobicContact CD2-CD1 3.83Å; L74-F120 HydrophobicContact CD2-CB 4.02Å; L74-V121 HydrophobicContact CB-CG2 4.15Å; L74-V303 HydrophobicContact CD1-CG2 4.42Å | ||
| 75 | D | 92.7 | Very high | 92.1 | Very high | 53 Ų | 53 | 37.8 Ų | 37.8 | 28% | 0.283 | 22% | 0.223 | S | C | . | . | trans | -73.8 | 143.9 | -179.5 | 61.1 | -75.8 | 0 | 0 | 0 | 112.1 | G73 P77 S78 E79 | G73-D75 PolarHBondContact O-N 2.84Å; D75-P77 WeakPolarHBondContact OD2-CD 3.25Å; D75-S78 VanDerWaalsContact CG-OG 3.24Å; D75-S78 PolarHBondContact O-N 3.35Å; D75-S78 WeakPolarHBondContact OD1-CB 3.31Å; D75-S78 PolarHBondContact OD1-OG 3.01Å; D75-S78 VanDerWaalsContact OD1-OG 3.08Å; D75-S78 WeakPolarHBondContact OD2-CB 3.32Å; D75-S78 PolarHBondContact OD2-N 3.45Å; D75-S78 PolarHBondContact OD2-OG 3.19Å; D75-E79 PolarHBondContact O-N 2.89Å | ||
| 76 | L | 91.5 | Very high | 92.7 | Very high | 91 Ų | 91 | 34 Ų | 34 | 48% | 0.476 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.5 | -38.6 | -178.4 | -179.3 | 64.1 | 0 | 0 | 0 | 113.7 | M70 T80 | M70-L76 HydrophobicContact SD-CB 4.35Å; M70-L76 HydrophobicContact SD-CD1 4.19Å; L76-T80 WeakPolarHBondContact O-CB 3.3Å; L76-T80 PolarHBondContact O-N 3.36Å; L76-T80 PolarHBondContact O-OG1 3.44Å |
| 77 | P | 92.3 | Very high | 93.2 | Very high | 79 Ų | 79 | 30.4 Ų | 30.4 | 51% | 0.513 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.2 | -50 | 173.1 | -25.4 | 36.2 | 0 | 0 | 0 | 113 | D75 T80 D81 R291 | D75-P77 WeakPolarHBondContact OD2-CD 3.25Å; P77-T80 PolarHBondContact O-N 3.05Å; P77-D81 PolarHBondContact O-N 2.85Å; P77-R291 PolarHBondContact O-NH2 2.92Å; P77-R291 VanDerWaalsContact O-NH2 3.12Å |
| 78 | S | 92.7 | Very high | 93.3 | Very high | 22 Ų | 22 | 33 Ų | 33 | 15% | 0.154 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -37.4 | 178.8 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | D75 D81 L82 | D75-S78 VanDerWaalsContact CG-OG 3.24Å; D75-S78 PolarHBondContact O-N 3.35Å; D75-S78 WeakPolarHBondContact OD1-CB 3.31Å; D75-S78 PolarHBondContact OD1-OG 3.01Å; D75-S78 VanDerWaalsContact OD1-OG 3.08Å; D75-S78 WeakPolarHBondContact OD2-CB 3.32Å; D75-S78 PolarHBondContact OD2-N 3.45Å; D75-S78 PolarHBondContact OD2-OG 3.19Å; S78-D81 PolarHBondContact O-N 2.87Å; S78-L82 WeakPolarHBondContact O-CB 3.29Å; S78-L82 VanDerWaalsContact O-CG 3.29Å; S78-L82 WeakPolarHBondContact O-CG 3.33Å; S78-L82 PolarHBondContact O-N 3.4Å |
| 79 | E | 94.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -43.9 | 171.4 | 175.1 | 162.2 | -146 | 0 | 0 | 111.7 | T67 S69 L74 D75 D81 L82 R83 F120 | T67-E79 WeakPolarHBondContact CB-OE2 3.21Å; T67-E79 WeakPolarHBondContact CG2-OE2 3.42Å; T67-E79 PolarHBondContact OG1-OE1 2.89Å; T67-E79 PolarHBondContact OG1-OE2 3.4Å; S69-E79 VanDerWaalsContact CB-CD 3.43Å; S69-E79 WeakPolarHBondContact CB-OE1 3.26Å; S69-E79 PolarHBondContact OG-OE1 3.06Å; L74-E79 HydrophobicContact CD2-CB 4.07Å; L74-E79 HydrophobicContact CG-CB 4.48Å; D75-E79 PolarHBondContact O-N 2.89Å; E79-D81 VanDerWaalsContact C-N 3.35Å; E79-D81 PolarHBondContact O-N 3.37Å; E79-L82 PolarHBondContact O-N 3.09Å; E79-R83 WeakPolarHBondContact O-CG 3.48Å; E79-R83 PolarHBondContact O-N 3.12Å; E79-R83 IonicContact OE1-CZ 2.95Å; E79-R83 IonicContact OE1-NE 3.24Å; E79-R83 IonicContact OE1-NH2 3.93Å; E79-R83 PolarHBondContact OE1-NH2 2.91Å; E79-F120 HydrophobicContact CG-CD2 3.96Å; E79-F120 HydrophobicContact CG-CE2 3.86Å |
| 80 | T | 93.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 32.3 Ų | 32.3 | 25% | 0.252 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | L76 P77 L82 R83 I84 | L76-T80 WeakPolarHBondContact O-CB 3.3Å; L76-T80 PolarHBondContact O-N 3.36Å; L76-T80 PolarHBondContact O-OG1 3.44Å; P77-T80 PolarHBondContact O-N 3.05Å; T80-L82 PolarHBondContact O-N 3.02Å; T80-R83 WeakPolarHBondContact O-CB 3.35Å; T80-R83 PolarHBondContact O-N 2.74Å; T80-I84 HydrophobicContact CG2-CD1 4.12Å; T80-I84 WeakPolarHBondContact O-CG1 3.36Å; T80-I84 PolarHBondContact O-N 2.9Å |
| 81 | D | 94.6 | Very high | 93.9 | Very high | 31 Ų | 31 | 31.4 Ų | 31.4 | 17% | 0.166 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.1 | -36.2 | 177.6 | -80.5 | 1.1 | 0 | 0 | 0 | 112.3 | P77 S78 E79 L85 R291 P294 L299 | P77-D81 PolarHBondContact O-N 2.85Å; S78-D81 PolarHBondContact O-N 2.87Å; E79-D81 VanDerWaalsContact C-N 3.35Å; E79-D81 PolarHBondContact O-N 3.37Å; D81-L85 WeakPolarHBondContact O-CB 3.27Å; D81-L85 PolarHBondContact O-N 2.91Å; D81-R291 IonicContact OD1-CZ 2.92Å; D81-R291 VanDerWaalsContact OD1-CZ 3.24Å; D81-R291 IonicContact OD1-NE 2.64Å; D81-R291 PolarHBondContact OD1-NE 3.03Å; D81-R291 IonicContact OD1-NH2 3.17Å; D81-R291 PolarHBondContact OD1-NH2 3.32Å; D81-P294 HydrophobicContact CB-CB 3.82Å; D81-P294 HydrophobicContact CB-CG 4.31Å; D81-L299 HydrophobicContact CB-CD1 3.83Å; D81-L299 HydrophobicContact CB-CD2 4.34Å |
| 82 | L | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 171.2 | -75.4 | 164.9 | 0 | 0 | 0 | 112.7 | L74 S78 E79 T80 G86 F120 F125 L299 V303 | L74-L82 HydrophobicContact CD2-CD1 3.83Å; S78-L82 WeakPolarHBondContact O-CB 3.29Å; S78-L82 VanDerWaalsContact O-CG 3.29Å; S78-L82 WeakPolarHBondContact O-CG 3.33Å; S78-L82 PolarHBondContact O-N 3.4Å; E79-L82 PolarHBondContact O-N 3.09Å; T80-L82 PolarHBondContact O-N 3.02Å; L82-G86 PolarHBondContact O-N 2.96Å; L82-F120 HydrophobicContact CB-CD1 4.22Å; L82-F120 HydrophobicContact CB-CE1 3.98Å; L82-F120 HydrophobicContact CB-CE2 4.4Å; L82-F120 HydrophobicContact CB-CZ 4.08Å; L82-F120 HydrophobicContact CD1-CB 4.25Å; L82-F120 HydrophobicContact CD1-CD1 4.25Å; L82-F120 HydrophobicContact CD1-CD2 4.5Å; L82-F120 HydrophobicContact CD1-CG 4.09Å; L82-F125 HydrophobicContact CD2-CD1 4.21Å; L82-F125 HydrophobicContact CD2-CE1 4.03Å; L82-F125 HydrophobicContact CD2-CZ 4.2Å; L82-L299 HydrophobicContact CD2-CB 3.99Å; L82-L299 HydrophobicContact CD2-CD1 4.49Å; L82-L299 HydrophobicContact CG-CB 4.38Å; L82-L299 HydrophobicContact CG-CD1 4.49Å; L82-V303 HydrophobicContact CD1-CG2 3.5Å; L82-V303 VanDerWaalsContact CD1-CG2 3.5Å; L82-V303 HydrophobicContact CD2-CG2 4.41Å |
| 83 | R | 95.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 3% | 0.034 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64 | -50.4 | 174.8 | -72.9 | 172.7 | -172.5 | -86.1 | -1.6 | 111.2 | E79 T80 L85 G86 C87 H112 F115 F120 | E79-R83 WeakPolarHBondContact O-CG 3.48Å; E79-R83 PolarHBondContact O-N 3.12Å; E79-R83 IonicContact OE1-CZ 2.95Å; E79-R83 IonicContact OE1-NE 3.24Å; E79-R83 IonicContact OE1-NH2 3.93Å; E79-R83 PolarHBondContact OE1-NH2 2.91Å; T80-R83 WeakPolarHBondContact O-CB 3.35Å; T80-R83 PolarHBondContact O-N 2.74Å; R83-L85 PolarHBondContact O-N 3.46Å; R83-G86 PolarHBondContact O-N 2.64Å; R83-C87 PolarHBondContact O-N 2.99Å; R83-C87 PolarHBondContact O-SG 3.46Å; R83-H112 PolarHBondContact NH1-O 3.44Å; R83-F115 VanDerWaalsContact NH2-C 3.26Å; R83-F115 PolarHBondContact NH2-O 3.39Å; R83-F120 HydrophobicContact CG-CE2 3.81Å; R83-F120 HydrophobicContact CG-CZ 3.74Å |
| 84 | I | 95 | Very high | 94.7 | Very high | 14 Ų | 14 | 24 Ų | 24 | 7% | 0.072 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.4 | -49.9 | 175.7 | -66 | 164.7 | 0 | 0 | 0 | 110.3 | T80 G86 C87 E88 R233 L288 | T80-I84 HydrophobicContact CG2-CD1 4.12Å; T80-I84 WeakPolarHBondContact O-CG1 3.36Å; T80-I84 PolarHBondContact O-N 2.9Å; I84-G86 PolarHBondContact O-N 3.45Å; I84-C87 PolarHBondContact O-N 2.97Å; I84-E88 WeakPolarHBondContact O-CG 3.47Å; I84-E88 PolarHBondContact O-N 3.37Å; I84-R233 HydrophobicContact CG1-CB 4.46Å; I84-L288 HydrophobicContact CD1-CD2 3.71Å; I84-L288 HydrophobicContact CG1-CD2 3.97Å |
| 85 | L | 94 | Very high | 95 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 7% | 0.068 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -40.4 | -179.2 | 179.5 | 63.6 | 0 | 0 | 0 | 112.9 | D81 R83 E88 L89 F125 Y296 L299 | D81-L85 WeakPolarHBondContact O-CB 3.27Å; D81-L85 PolarHBondContact O-N 2.91Å; R83-L85 PolarHBondContact O-N 3.46Å; L85-E88 PolarHBondContact O-N 2.76Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 3.34Å; L85-F125 HydrophobicContact CD2-CE2 4.03Å; L85-F125 HydrophobicContact CD2-CZ 4Å; L85-F125 HydrophobicContact CG-CE2 4.16Å; L85-Y296 HydrophobicContact CD1-CD2 4.18Å; L85-Y296 HydrophobicContact CD2-CD2 3.69Å; L85-Y296 HydrophobicContact CD2-CE2 4.21Å; L85-Y296 HydrophobicContact CD2-CG 4.43Å; L85-Y296 HydrophobicContact CG-CD2 4.3Å; L85-L299 HydrophobicContact CD2-CD1 4.29Å |
| 86 | G | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L82 R83 I84 E88 L89 I90 | L82-G86 PolarHBondContact O-N 2.96Å; R83-G86 PolarHBondContact O-N 2.64Å; I84-G86 PolarHBondContact O-N 3.45Å; G86-E88 PolarHBondContact O-N 3.33Å; G86-L89 PolarHBondContact O-N 2.89Å; G86-I90 VanDerWaalsContact O-CG1 3.32Å; G86-I90 WeakPolarHBondContact O-CG1 3.26Å; G86-I90 PolarHBondContact O-N 3.44Å |
| 87 | C | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.3 | -34.7 | 176.4 | -68.8 | 0 | 0 | 0 | 0 | 113 | R83 I84 I90 Q91 Q108 H112 R233 | R83-C87 PolarHBondContact O-N 2.99Å; R83-C87 PolarHBondContact O-SG 3.46Å; I84-C87 PolarHBondContact O-N 2.97Å; C87-I90 PolarHBondContact O-N 3.45Å; C87-Q91 PolarHBondContact O-N 3.44Å; C87-Q108 HydrophobicContact CB-CB 4.46Å; C87-Q108 HydrophobicContact CB-CG 3.91Å; C87-Q108 PolarHBondContact O-NE2 2.96Å; C87-H112 PolarHBondContact SG-NE2 2.99Å; C87-H112 VanDerWaalsContact SG-NE2 3.39Å; C87-R233 HydrophobicContact CB-CB 4.46Å; C87-R233 HydrophobicContact CB-CG 4.18Å |
| 88 | E | 94.4 | Very high | 95.6 | Very high | 55 Ų | 55 | 33 Ų | 33 | 26% | 0.257 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 171.2 | -72.3 | -165.2 | 167.1 | 0 | 0 | 112.1 | I84 L85 G86 Q91 A92 R233 | I84-E88 WeakPolarHBondContact O-CG 3.47Å; I84-E88 PolarHBondContact O-N 3.37Å; L85-E88 PolarHBondContact O-N 2.76Å; G86-E88 PolarHBondContact O-N 3.33Å; E88-Q91 PolarHBondContact O-N 3.16Å; E88-A92 VanDerWaalsContact O-CB 3.29Å; E88-A92 WeakPolarHBondContact O-CB 3.48Å; E88-A92 PolarHBondContact O-N 2.72Å; E88-R233 IonicContact OE1-NH1 2.74Å; E88-R233 PolarHBondContact OE1-NH1 2.68Å |
| 89 | L | 95.3 | Very high | 95.8 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.9 | -38.3 | 176.4 | -70.6 | 172.2 | 0 | 0 | 0 | 112.2 | L85 G86 A93 F125 E126 F153 Y296 | L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 3.34Å; G86-L89 PolarHBondContact O-N 2.89Å; L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 3.21Å; L89-F125 HydrophobicContact CD1-CE2 3.89Å; L89-E126 HydrophobicContact CD1-CG 4.35Å; L89-F153 HydrophobicContact CB-CE1 4.29Å; L89-Y296 HydrophobicContact CD1-CE2 4.47Å |
| 90 | I | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65 | -45.5 | 176.3 | -69.1 | 169.4 | 0 | 0 | 0 | 110.8 | G86 C87 G94 Q108 F111 A129 C132 I133 | G86-I90 VanDerWaalsContact O-CG1 3.32Å; G86-I90 WeakPolarHBondContact O-CG1 3.26Å; G86-I90 PolarHBondContact O-N 3.44Å; C87-I90 PolarHBondContact O-N 3.45Å; I90-G94 PolarHBondContact O-N 3.22Å; I90-Q108 HydrophobicContact CB-CG 4.13Å; I90-Q108 HydrophobicContact CG2-CG 3.85Å; I90-F111 HydrophobicContact CD1-CB 3.57Å; I90-F111 HydrophobicContact CD1-CD1 4.49Å; I90-F111 HydrophobicContact CD1-CD2 3.77Å; I90-F111 HydrophobicContact CD1-CG 3.72Å; I90-A129 HydrophobicContact CD1-CB 4.16Å; I90-A129 HydrophobicContact CG1-CB 3.86Å; I90-C132 HydrophobicContact CD1-CB 4.36Å; I90-I133 HydrophobicContact CG2-CD1 3.95Å |
| 91 | Q | 96.4 | Very high | 96 | Very high | 45 Ų | 45 | 35.6 Ų | 35.6 | 21% | 0.21 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -48.7 | 176 | -175 | 71.5 | 18.6 | 0 | 0 | 111.4 | C87 E88 A93 G94 I95 M104 | C87-Q91 PolarHBondContact O-N 3.44Å; E88-Q91 PolarHBondContact O-N 3.16Å; Q91-A93 VanDerWaalsContact C-N 3.33Å; Q91-A93 PolarHBondContact O-N 3.16Å; Q91-G94 PolarHBondContact O-N 3.01Å; Q91-I95 HydrophobicContact CG-CD1 4.16Å; Q91-I95 WeakPolarHBondContact O-CG1 3.47Å; Q91-I95 PolarHBondContact O-N 3.31Å; Q91-M104 VanDerWaalsContact O-SD 3.37Å |
| 92 | A | 96.4 | Very high | 96 | Very high | 35 Ų | 35 | 36.7 Ų | 36.7 | 29% | 0.289 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E88 L96 L156 | E88-A92 VanDerWaalsContact O-CB 3.29Å; E88-A92 WeakPolarHBondContact O-CB 3.48Å; E88-A92 PolarHBondContact O-N 2.72Å; A92-L96 WeakPolarHBondContact O-CG 3.39Å; A92-L96 PolarHBondContact O-N 3.23Å; A92-L156 HydrophobicContact CB-CD1 4.2Å; A92-L156 HydrophobicContact CB-CD2 3.96Å |
| 93 | A | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L89 Q91 I95 L96 L97 V152 F153 L156 | L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 3.21Å; Q91-A93 VanDerWaalsContact C-N 3.33Å; Q91-A93 PolarHBondContact O-N 3.16Å; A93-I95 PolarHBondContact O-N 3.08Å; A93-L96 PolarHBondContact O-N 3.48Å; A93-L97 WeakPolarHBondContact O-CB 3.24Å; A93-L97 WeakPolarHBondContact O-CG 3.46Å; A93-L97 PolarHBondContact O-N 2.64Å; A93-V152 HydrophobicContact CB-CG1 3.72Å; A93-F153 HydrophobicContact CB-CD2 3.91Å; A93-F153 HydrophobicContact CB-CE2 3.34Å; A93-F153 HydrophobicContact CB-CZ 4.03Å; A93-L156 HydrophobicContact CB-CD1 3.92Å |
| 94 | G | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.8 | -38.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | I90 Q91 L97 R98 L99 M104 | I90-G94 PolarHBondContact O-N 3.22Å; Q91-G94 PolarHBondContact O-N 3.01Å; G94-L97 CarbonylContact O-C 3.43Å; G94-L97 PolarHBondContact O-N 2.89Å; G94-R98 PolarHBondContact O-N 2.91Å; G94-L99 PolarHBondContact O-N 3.35Å; G94-M104 WeakPolarHBondContact CA-SD 3.17Å |
| 95 | I | 96.9 | Very high | 96.1 | Very high | 102 Ų | 102 | 36 Ų | 36 | 52% | 0.523 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 172.8 | -68.2 | 165.4 | 0 | 0 | 0 | 110.4 | Q91 A93 L97 R98 M104 | Q91-I95 HydrophobicContact CG-CD1 4.16Å; Q91-I95 WeakPolarHBondContact O-CG1 3.47Å; Q91-I95 PolarHBondContact O-N 3.31Å; A93-I95 PolarHBondContact O-N 3.08Å; I95-L97 VanDerWaalsContact C-N 3.31Å; I95-L97 PolarHBondContact O-N 2.99Å; I95-R98 PolarHBondContact O-N 3.45Å; I95-M104 HydrophobicContact CG1-CE 4.14Å; I95-M104 HydrophobicContact CG1-SD 3.97Å; I95-M104 PolarHBondContact N-SD 3.21Å; I95-M104 VanDerWaalsContact N-SD 3.41Å |
| 96 | L | 96.4 | Very high | 96.3 | Very high | 84 Ų | 84 | 35.3 Ų | 35.3 | 44% | 0.44 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -65.2 | -32.4 | 178.5 | -69.8 | 171.3 | 0 | 0 | 0 | 112.8 | A92 A93 R98 V152 L156 | A92-L96 WeakPolarHBondContact O-CG 3.39Å; A92-L96 PolarHBondContact O-N 3.23Å; A93-L96 PolarHBondContact O-N 3.48Å; L96-R98 VanDerWaalsContact C-N 3.25Å; L96-R98 PolarHBondContact O-N 3.18Å; L96-V152 HydrophobicContact CB-CG1 3.77Å; L96-V152 HydrophobicContact CB-CG2 4.01Å; L96-V152 HydrophobicContact CD1-CG1 3.91Å; L96-V152 HydrophobicContact CG-CG1 4.5Å; L96-L156 HydrophobicContact CD1-CD1 4.41Å; L96-L156 HydrophobicContact CD1-CD2 3.81Å; L96-L156 HydrophobicContact CD1-CG 3.98Å |
| 97 | L | 97.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 7% | 0.068 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -1.9 | 172.6 | -69 | 168 | 0 | 0 | 0 | 113.6 | A93 G94 I95 L99 I133 R144 D148 V149 V152 | A93-L97 WeakPolarHBondContact O-CB 3.24Å; A93-L97 WeakPolarHBondContact O-CG 3.46Å; A93-L97 PolarHBondContact O-N 2.64Å; G94-L97 CarbonylContact O-C 3.43Å; G94-L97 PolarHBondContact O-N 2.89Å; I95-L97 VanDerWaalsContact C-N 3.31Å; I95-L97 PolarHBondContact O-N 2.99Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 HydrophobicContact CB-CD1 4.09Å; L97-L99 HydrophobicContact CB-CG 4.08Å; L97-L99 HydrophobicContact CD1-CD1 4.14Å; L97-L99 PolarHBondContact O-N 3.44Å; L97-I133 HydrophobicContact CD1-CG1 4.19Å; L97-R144 HydrophobicContact CB-CG 4.4Å; L97-R144 HydrophobicContact CD2-CG 4.5Å; L97-R144 PolarHBondContact O-NE 3.23Å; L97-D148 HydrophobicContact CD2-CB 4.09Å; L97-V149 HydrophobicContact CD1-CG2 3.98Å; L97-V149 HydrophobicContact CD2-CG2 4.44Å; L97-V152 HydrophobicContact CD2-CB 4.45Å; L97-V152 HydrophobicContact CD2-CG2 3.89Å; L97-V152 HydrophobicContact CG-CB 4.43Å; L97-V152 HydrophobicContact CG-CG1 4.45Å; L97-V152 HydrophobicContact CG-CG2 4.09Å |
| 98 | R | 96.9 | Very high | 96.4 | Very high | 217 Ų | 217 | 35.5 Ų | 35.5 | 82% | 0.819 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 50.2 | -173.4 | -56.7 | -178.5 | 179.9 | -172.4 | -1.9 | 112.1 | G94 I95 L96 R144 | G94-R98 PolarHBondContact O-N 2.91Å; I95-R98 PolarHBondContact O-N 3.45Å; L96-R98 VanDerWaalsContact C-N 3.25Å; L96-R98 PolarHBondContact O-N 3.18Å; R98-R144 PolarHBondContact O-NH2 3.04Å |
| 99 | L | 96.9 | Very high | 96.4 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | trans | -88.5 | 150.4 | 173.9 | -75.9 | 170.6 | 0 | 0 | 0 | 111 | G94 L97 A103 M104 I133 A142 R144 | G94-L99 PolarHBondContact O-N 3.35Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 HydrophobicContact CB-CD1 4.09Å; L97-L99 HydrophobicContact CB-CG 4.08Å; L97-L99 HydrophobicContact CD1-CD1 4.14Å; L97-L99 PolarHBondContact O-N 3.44Å; L99-A103 HydrophobicContact CB-CB 4.35Å; L99-A103 HydrophobicContact CD2-CB 4.45Å; L99-M104 HydrophobicContact CB-CG 4.42Å; L99-I133 HydrophobicContact CD1-CD1 3.63Å; L99-I133 HydrophobicContact CD1-CG1 3.7Å; L99-A142 HydrophobicContact CD2-CB 4.06Å; L99-A142 VanDerWaalsContact CD2-O 3.25Å; L99-A142 WeakPolarHBondContact CD2-O 3.41Å; L99-R144 HydrophobicContact CD1-CG 4.44Å; L99-R144 HydrophobicContact CD2-CG 3.93Å; L99-R144 HydrophobicContact CG-CG 4.26Å | ||
| 100 | P | 96.1 | Very high | 96.4 | Very high | 58 Ų | 58 | 32.4 Ų | 32.4 | 38% | 0.377 | 16% | 0.162 | S | C | . | . | trans | -67.1 | 153.4 | 174.1 | 29.3 | -34.4 | 0 | 0 | 0 | 110.9 | V102 A103 M104 A142 | P100-V102 PolarHBondContact O-N 3Å; P100-V102 VanDerWaalsContact O-N 3.16Å; P100-A103 HydrophobicContact CG-CB 3.88Å; P100-A103 PolarHBondContact O-N 3.02Å; P100-M104 PolarHBondContact O-N 3.42Å; P100-A142 HydrophobicContact CG-CB 4.32Å | ||
| 101 | Q | 94 | Very high | 96.4 | Very high | 48 Ų | 48 | 32.4 Ų | 32.4 | 22% | 0.224 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.1 | -33.8 | -179.2 | -174.6 | 58.9 | 50.6 | 0 | 0 | 112.7 | A103 M104 A105 N229 | Q101-A103 VanDerWaalsContact C-N 3.33Å; Q101-A103 PolarHBondContact O-N 2.69Å; Q101-M104 HydrophobicContact CB-CE 4.45Å; Q101-M104 PolarHBondContact O-N 3.36Å; Q101-A105 WeakPolarHBondContact O-CB 3.41Å; Q101-A105 PolarHBondContact O-N 2.85Å; Q101-N229 WeakPolarHBondContact CG-OD1 3.45Å; Q101-N229 PolarHBondContact NE2-OD1 2.88Å |
| 102 | V | 94.5 | Very high | 96.4 | Very high | 53 Ų | 53 | 30.3 Ų | 30.3 | 32% | 0.321 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59 | -42.2 | 175.3 | -167.3 | 0 | 0 | 0 | 0 | 111.4 | P100 M104 A105 T106 E140 H200 | P100-V102 PolarHBondContact O-N 3Å; P100-V102 VanDerWaalsContact O-N 3.16Å; V102-M104 PolarHBondContact O-N 3.32Å; V102-A105 PolarHBondContact O-N 3.07Å; V102-T106 WeakPolarHBondContact O-CB 3.2Å; V102-T106 PolarHBondContact O-N 3.47Å; V102-T106 PolarHBondContact O-OG1 2.95Å; V102-E140 HydrophobicContact CG1-CG 4.42Å; V102-E140 WeakPolarHBondContact CG1-OE2 3.25Å; V102-H200 VanDerWaalsContact CG1-CD2 3.45Å; V102-H200 WeakPolarHBondContact CG1-CD2 3.47Å |
| 103 | A | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -71.1 | -30.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L99 P100 Q101 G107 A136 E140 | L99-A103 HydrophobicContact CB-CB 4.35Å; L99-A103 HydrophobicContact CD2-CB 4.45Å; P100-A103 HydrophobicContact CG-CB 3.88Å; P100-A103 PolarHBondContact O-N 3.02Å; Q101-A103 VanDerWaalsContact C-N 3.33Å; Q101-A103 PolarHBondContact O-N 2.69Å; A103-G107 PolarHBondContact O-N 3.47Å; A103-A136 VanDerWaalsContact O-CB 3.29Å; A103-A136 WeakPolarHBondContact O-CB 3.49Å; A103-E140 HydrophobicContact CB-CB 3.97Å; A103-E140 HydrophobicContact CB-CG 3.7Å |
| 104 | M | 96.7 | Very high | 96.2 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 4% | 0.039 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.9 | -43.7 | 173.1 | -63.2 | -169.5 | -79.9 | 0 | 0 | 110.9 | Q91 G94 I95 L99 P100 Q101 V102 G107 Q108 I133 | Q91-M104 VanDerWaalsContact O-SD 3.37Å; G94-M104 WeakPolarHBondContact CA-SD 3.17Å; I95-M104 HydrophobicContact CG1-CE 4.14Å; I95-M104 HydrophobicContact CG1-SD 3.97Å; I95-M104 PolarHBondContact N-SD 3.21Å; I95-M104 VanDerWaalsContact N-SD 3.41Å; L99-M104 HydrophobicContact CB-CG 4.42Å; P100-M104 PolarHBondContact O-N 3.42Å; Q101-M104 HydrophobicContact CB-CE 4.45Å; Q101-M104 PolarHBondContact O-N 3.36Å; V102-M104 PolarHBondContact O-N 3.32Å; M104-G107 PolarHBondContact O-N 3.5Å; M104-Q108 WeakPolarHBondContact O-CG 3.41Å; M104-Q108 PolarHBondContact O-N 2.77Å; M104-I133 HydrophobicContact CG-CD1 4.48Å |
| 105 | A | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q101 V102 G107 Q108 V109 H200 L232 | Q101-A105 WeakPolarHBondContact O-CB 3.41Å; Q101-A105 PolarHBondContact O-N 2.85Å; V102-A105 PolarHBondContact O-N 3.07Å; A105-G107 VanDerWaalsContact C-N 3.27Å; A105-G107 PolarHBondContact O-N 2.91Å; A105-Q108 PolarHBondContact O-N 2.94Å; A105-Q108 VanDerWaalsContact O-N 3.11Å; A105-V109 WeakPolarHBondContact O-CG2 3.43Å; A105-V109 PolarHBondContact O-N 3.31Å; A105-H200 WeakPolarHBondContact CB-CE1 3.37Å; A105-L232 HydrophobicContact CB-CD1 3.63Å; A105-L232 HydrophobicContact CB-CD2 3.91Å; A105-L232 HydrophobicContact CB-CG 4.47Å |
| 106 | T | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.7 | -43.3 | 173 | -67 | 0 | 0 | 0 | 0 | 110.6 | V102 Q108 V109 L110 A136 I139 E140 V198 H200 | V102-T106 WeakPolarHBondContact O-CB 3.2Å; V102-T106 PolarHBondContact O-N 3.47Å; V102-T106 PolarHBondContact O-OG1 2.95Å; T106-Q108 PolarHBondContact O-N 2.7Å; T106-V109 PolarHBondContact O-N 3.25Å; T106-L110 HydrophobicContact CG2-CD1 3.82Å; T106-L110 HydrophobicContact CG2-CG 4.29Å; T106-L110 WeakPolarHBondContact O-CB 3.5Å; T106-L110 WeakPolarHBondContact O-CG 3.44Å; T106-L110 PolarHBondContact O-N 2.71Å; T106-A136 HydrophobicContact CG2-CB 3.75Å; T106-I139 HydrophobicContact CG2-CD1 4.33Å; T106-I139 HydrophobicContact CG2-CG2 4.36Å; T106-E140 WeakPolarHBondContact CB-OE1 3.39Å; T106-E140 PolarHBondContact OG1-OE1 3.48Å; T106-V198 HydrophobicContact CG2-CG2 4.04Å; T106-H200 PolarHBondContact N-CE1 3.03Å; T106-H200 PolarHBondContact OG1-NE2 2.98Å |
| 107 | G | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A103 M104 A105 F111 | A103-G107 PolarHBondContact O-N 3.47Å; M104-G107 PolarHBondContact O-N 3.5Å; A105-G107 VanDerWaalsContact C-N 3.27Å; A105-G107 PolarHBondContact O-N 2.91Å; G107-F111 WeakPolarHBondContact O-CB 3.46Å; G107-F111 PolarHBondContact O-N 3.2Å; G107-F111 VanDerWaalsContact O-N 3.07Å |
| 108 | Q | 97.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.7 | -43.9 | 179 | -70.5 | 167.5 | -37.3 | 0 | 0 | 112.2 | C87 I90 M104 A105 T106 F111 H112 | C87-Q108 HydrophobicContact CB-CB 4.46Å; C87-Q108 HydrophobicContact CB-CG 3.91Å; C87-Q108 PolarHBondContact O-NE2 2.96Å; I90-Q108 HydrophobicContact CB-CG 4.13Å; I90-Q108 HydrophobicContact CG2-CG 3.85Å; M104-Q108 WeakPolarHBondContact O-CG 3.41Å; M104-Q108 PolarHBondContact O-N 2.77Å; A105-Q108 PolarHBondContact O-N 2.94Å; A105-Q108 VanDerWaalsContact O-N 3.11Å; T106-Q108 PolarHBondContact O-N 2.7Å; Q108-F111 WeakPolarHBondContact O-CB 3.27Å; Q108-F111 PolarHBondContact O-N 2.9Å; Q108-H112 PolarHBondContact O-CD2 3.23Å; Q108-H112 VanDerWaalsContact O-CD2 3.31Å; Q108-H112 PolarHBondContact O-N 3.06Å |
| 109 | V | 95.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | A105 T106 F111 H112 R113 V198 L232 F237 | A105-V109 WeakPolarHBondContact O-CG2 3.43Å; A105-V109 PolarHBondContact O-N 3.31Å; T106-V109 PolarHBondContact O-N 3.25Å; V109-F111 VanDerWaalsContact C-N 3.27Å; V109-F111 PolarHBondContact O-N 3.12Å; V109-H112 PolarHBondContact O-N 3.1Å; V109-R113 HydrophobicContact CG1-CG 4.35Å; V109-R113 WeakPolarHBondContact O-CG 3.16Å; V109-R113 PolarHBondContact O-N 2.72Å; V109-V198 HydrophobicContact CB-CG1 4.09Å; V109-V198 HydrophobicContact CB-CG2 4.25Å; V109-V198 HydrophobicContact CG1-CG1 3.95Å; V109-V198 HydrophobicContact CG1-CG2 4.06Å; V109-V198 HydrophobicContact CG2-CG1 4.06Å; V109-L232 HydrophobicContact CG2-CD2 3.94Å; V109-F237 HydrophobicContact CG2-CB 3.91Å; V109-F237 HydrophobicContact CG2-CD1 3.67Å; V109-F237 HydrophobicContact CG2-CE1 4.42Å; V109-F237 HydrophobicContact CG2-CG 3.97Å |
| 110 | L | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.8 | -36.6 | 174.5 | -68.5 | 172.7 | 0 | 0 | 0 | 112.3 | T106 F114 L135 A136 I139 L192 V196 | T106-L110 HydrophobicContact CG2-CD1 3.82Å; T106-L110 HydrophobicContact CG2-CG 4.29Å; T106-L110 WeakPolarHBondContact O-CB 3.5Å; T106-L110 WeakPolarHBondContact O-CG 3.44Å; T106-L110 PolarHBondContact O-N 2.71Å; L110-F114 WeakPolarHBondContact O-CB 3.41Å; L110-F114 PolarHBondContact O-N 3.26Å; L110-L135 HydrophobicContact CD1-CD2 4.28Å; L110-L135 HydrophobicContact CD1-CG 4.29Å; L110-A136 HydrophobicContact CD1-CB 4.43Å; L110-I139 HydrophobicContact CD1-CD1 3.86Å; L110-L192 HydrophobicContact CD2-CD1 3.54Å; L110-V196 HydrophobicContact CD2-CB 3.86Å; L110-V196 HydrophobicContact CD2-CG1 4Å |
| 111 | F | 97 | Very high | 95.2 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.4 | -46.1 | 176.3 | 179.9 | -88.5 | 0 | 0 | 0 | 111.8 | I90 G107 Q108 V109 F114 F115 F120 F125 V128 A129 C132 | I90-F111 HydrophobicContact CD1-CB 3.57Å; I90-F111 HydrophobicContact CD1-CD1 4.49Å; I90-F111 HydrophobicContact CD1-CD2 3.77Å; I90-F111 HydrophobicContact CD1-CG 3.72Å; G107-F111 WeakPolarHBondContact O-CB 3.46Å; G107-F111 PolarHBondContact O-N 3.2Å; G107-F111 VanDerWaalsContact O-N 3.07Å; Q108-F111 WeakPolarHBondContact O-CB 3.27Å; Q108-F111 PolarHBondContact O-N 2.9Å; V109-F111 VanDerWaalsContact C-N 3.27Å; V109-F111 PolarHBondContact O-N 3.12Å; F111-F114 PolarHBondContact O-N 3.12Å; F111-F115 HydrophobicContact CD1-CD2 4.14Å; F111-F115 HydrophobicContact CD2-CD2 4.04Å; F111-F115 AromaticContact CD2-CE2 3.87Å; F111-F115 HydrophobicContact CD2-CE2 3.87Å; F111-F115 AromaticContact CE1-CD2 3.89Å; F111-F115 HydrophobicContact CE1-CD2 3.89Å; F111-F115 HydrophobicContact CE1-CE2 4.29Å; F111-F115 AromaticContact CE2-CD2 3.81Å; F111-F115 HydrophobicContact CE2-CD2 3.81Å; F111-F115 AromaticContact CE2-CE2 3.41Å; F111-F115 HydrophobicContact CE2-CE2 3.41Å; F111-F115 VanDerWaalsContact CE2-CE2 3.41Å; F111-F115 HydrophobicContact CG-CD2 4.2Å; F111-F115 HydrophobicContact CG-CE2 4.49Å; F111-F115 AromaticContact CZ-CD2 3.71Å; F111-F115 HydrophobicContact CZ-CD2 3.71Å; F111-F115 AromaticContact CZ-CE2 3.63Å; F111-F115 HydrophobicContact CZ-CE2 3.63Å; F111-F115 WeakPolarHBondContact O-CD2 3.39Å; F111-F115 PolarHBondContact O-N 3.12Å; F111-F120 HydrophobicContact CE1-CE1 4.43Å; F111-F120 HydrophobicContact CE1-CZ 4.31Å; F111-F120 HydrophobicContact CZ-CE1 4.04Å; F111-F120 HydrophobicContact CZ-CZ 4.37Å; F111-F125 HydrophobicContact CE2-CB 4.34Å; F111-F125 HydrophobicContact CZ-CB 4.21Å; F111-V128 HydrophobicContact CD2-CG1 4.12Å; F111-V128 HydrophobicContact CE2-CG1 4.47Å; F111-A129 HydrophobicContact CD2-CB 4.17Å; F111-A129 HydrophobicContact CE2-CB 3.98Å; F111-C132 HydrophobicContact CB-CB 4.34Å |
| 112 | H | 95.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.3 | -51.3 | 174.6 | -77.4 | -64 | 0 | 0 | 0 | 112.4 | R83 C87 Q108 V109 F114 F115 Y116 L232 T234 V238 | R83-H112 PolarHBondContact NH1-O 3.44Å; C87-H112 PolarHBondContact SG-NE2 2.99Å; C87-H112 VanDerWaalsContact SG-NE2 3.39Å; Q108-H112 PolarHBondContact O-CD2 3.23Å; Q108-H112 VanDerWaalsContact O-CD2 3.31Å; Q108-H112 PolarHBondContact O-N 3.06Å; V109-H112 PolarHBondContact O-N 3.1Å; H112-F114 VanDerWaalsContact C-N 3.27Å; H112-F114 PolarHBondContact O-N 3.47Å; H112-F115 PolarHBondContact O-N 3.27Å; H112-F115 VanDerWaalsContact O-N 3.14Å; H112-Y116 VanDerWaalsContact O-CD2 3.31Å; H112-Y116 WeakPolarHBondContact O-CD2 3.47Å; H112-Y116 PolarHBondContact O-N 3.48Å; H112-L232 PolarHBondContact NE2-O 3.08Å; H112-T234 PolarHBondContact CE1-O 3.4Å; H112-T234 PolarHBondContact NE2-O 3.36Å; H112-V238 HydrophobicContact CB-CG1 3.99Å |
| 113 | R | 94 | Very high | 95.1 | Very high | 17 Ų | 17 | 13.5 Ų | 13.5 | 6% | 0.064 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -54.9 | -45 | 177.8 | -67.8 | 180 | -171.2 | 165.2 | 6.6 | 110.5 | S57 V109 F115 Y116 S117 L192 C195 H197 V238 | S57-R113 PolarHBondContact OG-NE 3.01Å; S57-R113 VanDerWaalsContact OG-NE 3.11Å; S57-R113 PolarHBondContact OG-NH2 3.12Å; V109-R113 HydrophobicContact CG1-CG 4.35Å; V109-R113 WeakPolarHBondContact O-CG 3.16Å; V109-R113 PolarHBondContact O-N 2.72Å; R113-F115 PolarHBondContact O-N 3.02Å; R113-Y116 PolarHBondContact O-N 3.26Å; R113-S117 PolarHBondContact O-N 3.46Å; R113-L192 HydrophobicContact CB-CD1 4.41Å; R113-L192 HydrophobicContact CB-CD2 3.52Å; R113-C195 PolarHBondContact NH1-O 3.28Å; R113-H197 PolarHBondContact NH1-O 3.2Å; R113-H197 PolarHBondContact NH2-O 3.12Å; R113-V238 HydrophobicContact CG-CG1 3.92Å |
| 114 | F | 95.3 | Very high | 95 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.2 | -47.4 | 177.1 | -178.3 | -93.7 | 0 | 0 | 0 | 112.5 | L110 F111 H112 Y116 S117 K118 H123 V128 R187 V188 E191 | L110-F114 WeakPolarHBondContact O-CB 3.41Å; L110-F114 PolarHBondContact O-N 3.26Å; F111-F114 PolarHBondContact O-N 3.12Å; H112-F114 VanDerWaalsContact C-N 3.27Å; H112-F114 PolarHBondContact O-N 3.47Å; F114-Y116 VanDerWaalsContact C-N 3.34Å; F114-Y116 PolarHBondContact O-N 2.89Å; F114-S117 CarbonylContact O-C 3.59Å; F114-S117 PolarHBondContact O-N 3.02Å; F114-S117 VanDerWaalsContact O-N 3.1Å; F114-K118 HydrophobicContact CD1-CB 4.4Å; F114-K118 HydrophobicContact CE1-CB 3.86Å; F114-K118 HydrophobicContact CE1-CG 4.4Å; F114-K118 HydrophobicContact CE2-CB 4.38Å; F114-K118 HydrophobicContact CE2-CG 4.06Å; F114-K118 HydrophobicContact CZ-CB 3.85Å; F114-K118 HydrophobicContact CZ-CG 3.89Å; F114-K118 PolarHBondContact O-N 2.86Å; F114-H123 HydrophobicContact CE1-CB 4.23Å; F114-H123 AromaticContact CE1-CG 3.99Å; F114-H123 AromaticContact CZ-CD2 3.76Å; F114-V128 HydrophobicContact CD1-CG1 3.65Å; F114-V128 HydrophobicContact CD1-CG2 4.28Å; F114-V128 HydrophobicContact CE1-CG1 4.04Å; F114-V128 HydrophobicContact CE1-CG2 3.81Å; F114-V128 HydrophobicContact CG-CG1 4.17Å; F114-V128 HydrophobicContact CZ-CG2 4.4Å; F114-R187 HydrophobicContact CE2-CG 4.08Å; F114-R187 HydrophobicContact CZ-CG 4.39Å; F114-V188 HydrophobicContact CD2-CB 4.32Å; F114-V188 HydrophobicContact CD2-CG2 3.76Å; F114-V188 HydrophobicContact CE2-CG2 4.17Å; F114-V188 HydrophobicContact CG-CG2 4.15Å; F114-E191 HydrophobicContact CD2-CB 4.31Å; F114-E191 HydrophobicContact CE2-CB 4.26Å; F114-E191 HydrophobicContact CE2-CG 4.02Å |
| 115 | F | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -77.9 | -12.5 | -177.4 | -80.7 | -68.3 | 0 | 0 | 0 | 114.6 | R83 F111 H112 R113 K118 F120 H123 F125 V128 | R83-F115 VanDerWaalsContact NH2-C 3.26Å; R83-F115 PolarHBondContact NH2-O 3.39Å; F111-F115 HydrophobicContact CD1-CD2 4.14Å; F111-F115 HydrophobicContact CD2-CD2 4.04Å; F111-F115 AromaticContact CD2-CE2 3.87Å; F111-F115 HydrophobicContact CD2-CE2 3.87Å; F111-F115 AromaticContact CE1-CD2 3.89Å; F111-F115 HydrophobicContact CE1-CD2 3.89Å; F111-F115 HydrophobicContact CE1-CE2 4.29Å; F111-F115 AromaticContact CE2-CD2 3.81Å; F111-F115 HydrophobicContact CE2-CD2 3.81Å; F111-F115 AromaticContact CE2-CE2 3.41Å; F111-F115 HydrophobicContact CE2-CE2 3.41Å; F111-F115 VanDerWaalsContact CE2-CE2 3.41Å; F111-F115 HydrophobicContact CG-CD2 4.2Å; F111-F115 HydrophobicContact CG-CE2 4.49Å; F111-F115 AromaticContact CZ-CD2 3.71Å; F111-F115 HydrophobicContact CZ-CD2 3.71Å; F111-F115 AromaticContact CZ-CE2 3.63Å; F111-F115 HydrophobicContact CZ-CE2 3.63Å; F111-F115 WeakPolarHBondContact O-CD2 3.39Å; F111-F115 PolarHBondContact O-N 3.12Å; H112-F115 PolarHBondContact O-N 3.27Å; H112-F115 VanDerWaalsContact O-N 3.14Å; R113-F115 PolarHBondContact O-N 3.02Å; F115-K118 CarbonylContact C-O 3.52Å; F115-K118 VanDerWaalsContact CA-O 3.29Å; F115-K118 WeakPolarHBondContact CA-O 3.41Å; F115-K118 VanDerWaalsContact CD1-O 3.3Å; F115-K118 WeakPolarHBondContact CD1-O 3.44Å; F115-F120 HydrophobicContact CB-CD2 4.46Å; F115-F120 HydrophobicContact CB-CE1 4.39Å; F115-F120 HydrophobicContact CB-CE2 3.74Å; F115-F120 HydrophobicContact CB-CZ 3.7Å; F115-F120 HydrophobicContact CD1-CB 4.48Å; F115-F120 AromaticContact CD1-CD1 3.57Å; F115-F120 HydrophobicContact CD1-CD1 3.57Å; F115-F120 AromaticContact CD1-CD2 3.82Å; F115-F120 HydrophobicContact CD1-CD2 3.82Å; F115-F120 AromaticContact CD1-CE1 3.58Å; F115-F120 HydrophobicContact CD1-CE1 3.58Å; F115-F120 AromaticContact CD1-CE2 3.8Å; F115-F120 HydrophobicContact CD1-CE2 3.8Å; F115-F120 AromaticContact CD1-CG 3.69Å; F115-F120 HydrophobicContact CD1-CG 3.69Å; F115-F120 AromaticContact CD1-CZ 3.69Å; F115-F120 HydrophobicContact CD1-CZ 3.69Å; F115-F120 HydrophobicContact CD2-CD1 4.42Å; F115-F120 AromaticContact CD2-CE1 3.67Å; F115-F120 HydrophobicContact CD2-CE1 3.67Å; F115-F120 AromaticContact CD2-CZ 3.74Å; F115-F120 HydrophobicContact CD2-CZ 3.74Å; F115-F120 HydrophobicContact CE1-CB 4.39Å; F115-F120 AromaticContact CE1-CD1 3.45Å; F115-F120 HydrophobicContact CE1-CD1 3.45Å; F115-F120 VanDerWaalsContact CE1-CD1 3.45Å; F115-F120 HydrophobicContact CE1-CD2 4.44Å; F115-F120 AromaticContact CE1-CE1 3.7Å; F115-F120 HydrophobicContact CE1-CE1 3.7Å; F115-F120 AromaticContact CE1-CG 3.85Å; F115-F120 HydrophobicContact CE1-CG 3.85Å; F115-F120 HydrophobicContact CE1-CZ 4.3Å; F115-F120 HydrophobicContact CE2-CD1 4.29Å; F115-F120 AromaticContact CE2-CE1 3.76Å; F115-F120 HydrophobicContact CE2-CE1 3.76Å; F115-F120 HydrophobicContact CE2-CZ 4.31Å; F115-F120 HydrophobicContact CG-CD1 4.1Å; F115-F120 HydrophobicContact CG-CD2 4.27Å; F115-F120 AromaticContact CG-CE1 3.59Å; F115-F120 HydrophobicContact CG-CE1 3.59Å; F115-F120 AromaticContact CG-CE2 3.77Å; F115-F120 HydrophobicContact CG-CE2 3.77Å; F115-F120 HydrophobicContact CG-CG 4.42Å; F115-F120 AromaticContact CG-CZ 3.4Å; F115-F120 HydrophobicContact CG-CZ 3.4Å; F115-F120 AromaticContact CZ-CD1 3.83Å; F115-F120 HydrophobicContact CZ-CD1 3.83Å; F115-F120 AromaticContact CZ-CE1 3.79Å; F115-F120 HydrophobicContact CZ-CE1 3.79Å; F115-H123 HydrophobicContact CE1-CB 4.08Å; F115-H123 HydrophobicContact CZ-CB 4.29Å; F115-F125 HydrophobicContact CE2-CB 4.31Å; F115-F125 HydrophobicContact CZ-CB 4.08Å; F115-V128 HydrophobicContact CD2-CG1 4.37Å; F115-V128 HydrophobicContact CE2-CB 3.76Å; F115-V128 HydrophobicContact CE2-CG1 3.54Å; F115-V128 HydrophobicContact CE2-CG2 4.2Å; F115-V128 HydrophobicContact CZ-CB 3.88Å; F115-V128 HydrophobicContact CZ-CG1 4.04Å; F115-V128 HydrophobicContact CZ-CG2 3.84Å |
| 116 | Y | 93.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 17 Ų | 17 | 10% | 0.102 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -77.9 | -31.1 | 161.9 | -82.1 | -70.7 | 0 | 0 | 0 | 112.2 | I59 L64 T67 P68 H112 R113 F114 N235 V238 | I59-Y116 HydrophobicContact CD1-CD2 4.09Å; I59-Y116 HydrophobicContact CD1-CG 3.9Å; L64-Y116 HydrophobicContact CD2-CD1 4.15Å; L64-Y116 HydrophobicContact CD2-CE1 3.85Å; T67-Y116 HydrophobicContact CG2-CD1 4.27Å; T67-Y116 HydrophobicContact CG2-CE1 4.03Å; P68-Y116 WeakPolarHBondContact CD-O 3.39Å; P68-Y116 VanDerWaalsContact CG-O 3.23Å; P68-Y116 WeakPolarHBondContact CG-O 3.5Å; H112-Y116 VanDerWaalsContact O-CD2 3.31Å; H112-Y116 WeakPolarHBondContact O-CD2 3.47Å; H112-Y116 PolarHBondContact O-N 3.48Å; R113-Y116 PolarHBondContact O-N 3.26Å; F114-Y116 VanDerWaalsContact C-N 3.34Å; F114-Y116 PolarHBondContact O-N 2.89Å; Y116-N235 HydrophobicContact CE2-CB 4.16Å; Y116-N235 VanDerWaalsContact OH-CB 3.26Å; Y116-N235 WeakPolarHBondContact OH-CB 3.43Å; Y116-V238 HydrophobicContact CD2-CG1 4.39Å; Y116-V238 HydrophobicContact CD2-CG2 3.7Å; Y116-V238 HydrophobicContact CE2-CG2 3.54Å |
| 117 | S | 91.6 | Very high | 94.7 | Very high | 49 Ų | 49 | 18 Ų | 18 | 34% | 0.343 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -83.5 | -14.8 | 173.9 | -70.4 | 0 | 0 | 0 | 0 | 114.7 | R113 F114 | R113-S117 PolarHBondContact O-N 3.46Å; F114-S117 CarbonylContact O-C 3.59Å; F114-S117 PolarHBondContact O-N 3.02Å; F114-S117 VanDerWaalsContact O-N 3.1Å |
| 118 | K | 94 | Very high | 94.8 | Very high | 53 Ų | 53 | 18.2 Ų | 18.2 | 23% | 0.23 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -150.9 | 143.9 | -175.1 | -69.2 | -61.8 | 168.3 | -74.1 | 0 | 113.3 | F114 F115 E191 | F114-K118 HydrophobicContact CD1-CB 4.4Å; F114-K118 HydrophobicContact CE1-CB 3.86Å; F114-K118 HydrophobicContact CE1-CG 4.4Å; F114-K118 HydrophobicContact CE2-CB 4.38Å; F114-K118 HydrophobicContact CE2-CG 4.06Å; F114-K118 HydrophobicContact CZ-CB 3.85Å; F114-K118 HydrophobicContact CZ-CG 3.89Å; F114-K118 PolarHBondContact O-N 2.86Å; F115-K118 CarbonylContact C-O 3.52Å; F115-K118 VanDerWaalsContact CA-O 3.29Å; F115-K118 WeakPolarHBondContact CA-O 3.41Å; F115-K118 VanDerWaalsContact CD1-O 3.3Å; F115-K118 WeakPolarHBondContact CD1-O 3.44Å; K118-E191 WeakPolarHBondContact CE-OE1 3.41Å; K118-E191 WeakPolarHBondContact CE-OE2 3.27Å; K118-E191 HydrophobicContact CG-CG 4.21Å; K118-E191 IonicContact NZ-OE1 2.66Å; K118-E191 IonicContact NZ-OE2 2.81Å; K118-E191 PolarHBondContact NZ-OE2 3.27Å |
| 119 | S | 94.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.007 | 9% | 0.094 | C | C | . | . | trans | -71.1 | 140.3 | -178.9 | 173.1 | 0 | 0 | 0 | 0 | 114.8 | P68 D72 V121 K122 H123 | P68-S119 WeakPolarHBondContact O-CB 3.43Å; D72-S119 WeakPolarHBondContact OD2-CB 3.5Å; D72-S119 PolarHBondContact OD2-OG 3.38Å; S119-V121 VanDerWaalsContact C-N 3.3Å; S119-V121 PolarHBondContact O-N 3.24Å; S119-V121 WeakPolarHBondContact OG-CB 3.28Å; S119-V121 PolarHBondContact OG-N 3.16Å; S119-K122 PolarHBondContact O-N 2.92Å; S119-H123 PolarHBondContact O-N 3.23Å; S119-H123 PolarHBondContact O-ND1 2.93Å | ||
| 120 | F | 95.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 1% | 0.013 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -36.3 | 164.5 | -76.7 | -75.2 | 0 | 0 | 0 | 113.2 | S69 L74 E79 L82 R83 F111 F115 K122 H123 F125 | S69-F120 WeakPolarHBondContact OG-CD2 3.45Å; S69-F120 PolarHBondContact OG-N 3.11Å; L74-F120 HydrophobicContact CD2-CB 4.02Å; E79-F120 HydrophobicContact CG-CD2 3.96Å; E79-F120 HydrophobicContact CG-CE2 3.86Å; L82-F120 HydrophobicContact CB-CD1 4.22Å; L82-F120 HydrophobicContact CB-CE1 3.98Å; L82-F120 HydrophobicContact CB-CE2 4.4Å; L82-F120 HydrophobicContact CB-CZ 4.08Å; L82-F120 HydrophobicContact CD1-CB 4.25Å; L82-F120 HydrophobicContact CD1-CD1 4.25Å; L82-F120 HydrophobicContact CD1-CD2 4.5Å; L82-F120 HydrophobicContact CD1-CG 4.09Å; R83-F120 HydrophobicContact CG-CE2 3.81Å; R83-F120 HydrophobicContact CG-CZ 3.74Å; F111-F120 HydrophobicContact CE1-CE1 4.43Å; F111-F120 HydrophobicContact CE1-CZ 4.31Å; F111-F120 HydrophobicContact CZ-CE1 4.04Å; F111-F120 HydrophobicContact CZ-CZ 4.37Å; F115-F120 HydrophobicContact CB-CD2 4.46Å; F115-F120 HydrophobicContact CB-CE1 4.39Å; F115-F120 HydrophobicContact CB-CE2 3.74Å; F115-F120 HydrophobicContact CB-CZ 3.7Å; F115-F120 HydrophobicContact CD1-CB 4.48Å; F115-F120 AromaticContact CD1-CD1 3.57Å; F115-F120 HydrophobicContact CD1-CD1 3.57Å; F115-F120 AromaticContact CD1-CD2 3.82Å; F115-F120 HydrophobicContact CD1-CD2 3.82Å; F115-F120 AromaticContact CD1-CE1 3.58Å; F115-F120 HydrophobicContact CD1-CE1 3.58Å; F115-F120 AromaticContact CD1-CE2 3.8Å; F115-F120 HydrophobicContact CD1-CE2 3.8Å; F115-F120 AromaticContact CD1-CG 3.69Å; F115-F120 HydrophobicContact CD1-CG 3.69Å; F115-F120 AromaticContact CD1-CZ 3.69Å; F115-F120 HydrophobicContact CD1-CZ 3.69Å; F115-F120 HydrophobicContact CD2-CD1 4.42Å; F115-F120 AromaticContact CD2-CE1 3.67Å; F115-F120 HydrophobicContact CD2-CE1 3.67Å; F115-F120 AromaticContact CD2-CZ 3.74Å; F115-F120 HydrophobicContact CD2-CZ 3.74Å; F115-F120 HydrophobicContact CE1-CB 4.39Å; F115-F120 AromaticContact CE1-CD1 3.45Å; F115-F120 HydrophobicContact CE1-CD1 3.45Å; F115-F120 VanDerWaalsContact CE1-CD1 3.45Å; F115-F120 HydrophobicContact CE1-CD2 4.44Å; F115-F120 AromaticContact CE1-CE1 3.7Å; F115-F120 HydrophobicContact CE1-CE1 3.7Å; F115-F120 AromaticContact CE1-CG 3.85Å; F115-F120 HydrophobicContact CE1-CG 3.85Å; F115-F120 HydrophobicContact CE1-CZ 4.3Å; F115-F120 HydrophobicContact CE2-CD1 4.29Å; F115-F120 AromaticContact CE2-CE1 3.76Å; F115-F120 HydrophobicContact CE2-CE1 3.76Å; F115-F120 HydrophobicContact CE2-CZ 4.31Å; F115-F120 HydrophobicContact CG-CD1 4.1Å; F115-F120 HydrophobicContact CG-CD2 4.27Å; F115-F120 AromaticContact CG-CE1 3.59Å; F115-F120 HydrophobicContact CG-CE1 3.59Å; F115-F120 AromaticContact CG-CE2 3.77Å; F115-F120 HydrophobicContact CG-CE2 3.77Å; F115-F120 HydrophobicContact CG-CG 4.42Å; F115-F120 AromaticContact CG-CZ 3.4Å; F115-F120 HydrophobicContact CG-CZ 3.4Å; F115-F120 AromaticContact CZ-CD1 3.83Å; F115-F120 HydrophobicContact CZ-CD1 3.83Å; F115-F120 AromaticContact CZ-CE1 3.79Å; F115-F120 HydrophobicContact CZ-CE1 3.79Å; F120-K122 PolarHBondContact O-N 3.03Å; F120-H123 CarbonylContact O-C 3.48Å; F120-H123 PolarHBondContact O-N 3.37Å; F120-F125 HydrophobicContact CD1-CB 3.89Å; F120-F125 HydrophobicContact CE1-CB 3.83Å |
| 121 | V | 93.4 | Very high | 95 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -28.5 | 178.6 | -171.5 | 0 | 0 | 0 | 0 | 111.6 | D72 L74 S119 R306 K307 L310 | D72-V121 HydrophobicContact CB-CB 3.83Å; D72-V121 HydrophobicContact CB-CG1 4.26Å; D72-V121 HydrophobicContact CB-CG2 3.78Å; L74-V121 HydrophobicContact CB-CG2 4.15Å; S119-V121 VanDerWaalsContact C-N 3.3Å; S119-V121 PolarHBondContact O-N 3.24Å; S119-V121 WeakPolarHBondContact OG-CB 3.28Å; S119-V121 PolarHBondContact OG-N 3.16Å; V121-R306 VanDerWaalsContact CG1-C 3.48Å; V121-R306 HydrophobicContact CG1-CB 3.77Å; V121-R306 HydrophobicContact CG2-CB 3.93Å; V121-K307 HydrophobicContact CG1-CB 3.95Å; V121-L310 HydrophobicContact CG1-CB 4.39Å; V121-L310 HydrophobicContact CG1-CD2 3.86Å |
| 122 | K | 92.8 | Very high | 95 | Very high | 95 Ų | 95 | 18.3 Ų | 18.3 | 41% | 0.413 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -11 | 179.7 | -65.8 | 172.6 | -178.9 | 118.8 | 0 | 113.7 | D72 S119 F120 L310 | D72-K122 WeakPolarHBondContact OD1-CE 3.34Å; D72-K122 IonicContact OD1-NZ 2.67Å; D72-K122 PolarHBondContact OD1-NZ 3.14Å; D72-K122 WeakPolarHBondContact OD2-CD 3.38Å; D72-K122 WeakPolarHBondContact OD2-CE 3.32Å; D72-K122 WeakPolarHBondContact OD2-CG 3.12Å; D72-K122 IonicContact OD2-NZ 3.16Å; D72-K122 PolarHBondContact OD2-NZ 2.86Å; S119-K122 PolarHBondContact O-N 2.92Å; F120-K122 PolarHBondContact O-N 3.03Å; K122-L310 HydrophobicContact CG-CD2 4Å |
| 123 | H | 94.1 | Very high | 95.1 | Very high | 22 Ų | 22 | 18.3 Ų | 18.3 | 10% | 0.102 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -145.5 | 121.6 | -171.8 | -56.4 | 84.3 | 0 | 0 | 0 | 112.5 | F114 F115 S119 F120 F125 V128 R187 | F114-H123 HydrophobicContact CE1-CB 4.23Å; F114-H123 AromaticContact CE1-CG 3.99Å; F114-H123 AromaticContact CZ-CD2 3.76Å; F115-H123 HydrophobicContact CE1-CB 4.08Å; F115-H123 HydrophobicContact CZ-CB 4.29Å; S119-H123 PolarHBondContact O-N 3.23Å; S119-H123 PolarHBondContact O-ND1 2.93Å; F120-H123 CarbonylContact O-C 3.48Å; F120-H123 PolarHBondContact O-N 3.37Å; H123-F125 PolarHBondContact O-N 3Å; H123-F125 VanDerWaalsContact O-N 3.12Å; H123-V128 HydrophobicContact CB-CG2 4.16Å; H123-R187 PolarHBondContact CD2-NH1 3.46Å; H123-R187 WeakPolarHBondContact NE2-CD 3.42Å; H123-R187 PolarHBondContact NE2-NH1 3.5Å |
| 124 | S | 93.2 | Very high | 95.3 | Very high | 69 Ų | 69 | 17.6 Ų | 17.6 | 48% | 0.483 | 9% | 0.093 | S | C | . | . | trans | -60.7 | 117 | 173.3 | 176.2 | 0 | 0 | 0 | 0 | 111 | E126 I127 V128 | S124-E126 PolarHBondContact O-N 2.81Å; S124-I127 PolarHBondContact O-N 2.9Å; S124-V128 PolarHBondContact O-N 3.2Å; S124-V128 VanDerWaalsContact O-N 3.07Å | ||
| 125 | F | 93.5 | Very high | 95.4 | Very high | 11 Ų | 11 | 18 Ų | 18 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.4 | -32 | -175.4 | 76.2 | -77.9 | 0 | 0 | 0 | 113.4 | L82 L85 L89 F111 F115 F120 H123 V128 A129 Y296 | L82-F125 HydrophobicContact CD2-CD1 4.21Å; L82-F125 HydrophobicContact CD2-CE1 4.03Å; L82-F125 HydrophobicContact CD2-CZ 4.2Å; L85-F125 HydrophobicContact CD2-CE2 4.03Å; L85-F125 HydrophobicContact CD2-CZ 4Å; L85-F125 HydrophobicContact CG-CE2 4.16Å; L89-F125 HydrophobicContact CD1-CE2 3.89Å; F111-F125 HydrophobicContact CE2-CB 4.34Å; F111-F125 HydrophobicContact CZ-CB 4.21Å; F115-F125 HydrophobicContact CE2-CB 4.31Å; F115-F125 HydrophobicContact CZ-CB 4.08Å; F120-F125 HydrophobicContact CD1-CB 3.89Å; F120-F125 HydrophobicContact CE1-CB 3.83Å; H123-F125 PolarHBondContact O-N 3Å; H123-F125 VanDerWaalsContact O-N 3.12Å; F125-V128 PolarHBondContact O-N 3.23Å; F125-A129 VanDerWaalsContact O-CB 3.25Å; F125-A129 WeakPolarHBondContact O-CB 3.42Å; F125-A129 PolarHBondContact O-N 3.38Å; F125-Y296 HydrophobicContact CE1-CE2 4.43Å; F125-Y296 HydrophobicContact CE2-CE2 4.14Å; F125-Y296 HydrophobicContact CZ-CD2 4.35Å; F125-Y296 AromaticContact CZ-CE2 3.47Å; F125-Y296 HydrophobicContact CZ-CE2 3.47Å; F125-Y296 VanDerWaalsContact CZ-CE2 3.47Å; F125-Y296 AromaticContact CZ-CZ 3.76Å |
| 126 | E | 94.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 18 Ų | 18 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 173.4 | -67.7 | -157.5 | 141.9 | 0 | 0 | 112.1 | L89 S124 A129 M130 R157 R160 Y296 | L89-E126 HydrophobicContact CD1-CG 4.35Å; S124-E126 PolarHBondContact O-N 2.81Å; E126-A129 PolarHBondContact O-N 2.66Å; E126-M130 WeakPolarHBondContact O-CB 3.5Å; E126-M130 WeakPolarHBondContact O-CG 3.33Å; E126-M130 PolarHBondContact O-N 2.88Å; E126-R157 IonicContact OE2-CZ 3.45Å; E126-R157 IonicContact OE2-NE 3.58Å; E126-R157 PolarHBondContact OE2-NE 2.85Å; E126-R157 VanDerWaalsContact OE2-NE 3.16Å; E126-R157 IonicContact OE2-NH2 2.72Å; E126-R157 PolarHBondContact OE2-NH2 3.11Å; E126-R160 IonicContact OE1-CZ 2.69Å; E126-R160 IonicContact OE1-NH1 3.27Å; E126-R160 PolarHBondContact OE1-NH1 2.98Å; E126-R160 IonicContact OE1-NH2 3.37Å; E126-R160 PolarHBondContact OE1-NH2 3.23Å; E126-Y296 VanDerWaalsContact CD-OH 3.29Å; E126-Y296 PolarHBondContact OE1-OH 3.33Å |
| 127 | I | 96.7 | Very high | 95.7 | Very high | 21 Ų | 21 | 16.8 Ų | 16.8 | 11% | 0.108 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 175.4 | -58.3 | -64.2 | 0 | 0 | 0 | 110.6 | S124 M130 A131 T177 Q180 V181 A184 | S124-I127 PolarHBondContact O-N 2.9Å; I127-M130 HydrophobicContact CD1-CE 3.8Å; I127-A131 PolarHBondContact O-N 2.92Å; I127-T177 HydrophobicContact CD1-CG2 4.29Å; I127-Q180 HydrophobicContact CD1-CB 4.22Å; I127-Q180 HydrophobicContact CG2-CB 3.96Å; I127-V181 HydrophobicContact CG2-CG2 4.37Å; I127-A184 HydrophobicContact CG2-CB 3.8Å |
| 128 | V | 97.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.024 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.1 | -42.3 | 176.3 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | F111 F114 F115 H123 S124 F125 M130 A131 C132 V188 | F111-V128 HydrophobicContact CD2-CG1 4.12Å; F111-V128 HydrophobicContact CE2-CG1 4.47Å; F114-V128 HydrophobicContact CD1-CG1 3.65Å; F114-V128 HydrophobicContact CD1-CG2 4.28Å; F114-V128 HydrophobicContact CE1-CG1 4.04Å; F114-V128 HydrophobicContact CE1-CG2 3.81Å; F114-V128 HydrophobicContact CG-CG1 4.17Å; F114-V128 HydrophobicContact CZ-CG2 4.4Å; F115-V128 HydrophobicContact CD2-CG1 4.37Å; F115-V128 HydrophobicContact CE2-CB 3.76Å; F115-V128 HydrophobicContact CE2-CG1 3.54Å; F115-V128 HydrophobicContact CE2-CG2 4.2Å; F115-V128 HydrophobicContact CZ-CB 3.88Å; F115-V128 HydrophobicContact CZ-CG1 4.04Å; F115-V128 HydrophobicContact CZ-CG2 3.84Å; H123-V128 HydrophobicContact CB-CG2 4.16Å; S124-V128 PolarHBondContact O-N 3.2Å; S124-V128 VanDerWaalsContact O-N 3.07Å; F125-V128 PolarHBondContact O-N 3.23Å; V128-M130 PolarHBondContact O-N 3.19Å; V128-A131 CarbonylContact O-C 3.52Å; V128-A131 WeakPolarHBondContact O-CA 3.3Å; V128-A131 WeakPolarHBondContact O-CB 3.5Å; V128-A131 PolarHBondContact O-N 3.16Å; V128-C132 WeakPolarHBondContact O-CB 3.21Å; V128-C132 PolarHBondContact O-N 3Å; V128-C132 PolarHBondContact O-SG 3.11Å; V128-V188 HydrophobicContact CG1-CG2 4.33Å |
| 129 | A | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | I90 F111 F125 E126 A131 C132 I133 F153 | I90-A129 HydrophobicContact CD1-CB 4.16Å; I90-A129 HydrophobicContact CG1-CB 3.86Å; F111-A129 HydrophobicContact CD2-CB 4.17Å; F111-A129 HydrophobicContact CE2-CB 3.98Å; F125-A129 VanDerWaalsContact O-CB 3.25Å; F125-A129 WeakPolarHBondContact O-CB 3.42Å; F125-A129 PolarHBondContact O-N 3.38Å; E126-A129 PolarHBondContact O-N 2.66Å; A129-A131 VanDerWaalsContact C-N 3.31Å; A129-A131 PolarHBondContact O-N 2.81Å; A129-C132 PolarHBondContact O-N 3.09Å; A129-I133 WeakPolarHBondContact O-CG2 3.34Å; A129-I133 PolarHBondContact O-N 2.75Å; A129-F153 HydrophobicContact CB-CE1 3.82Å; A129-F153 HydrophobicContact CB-CZ 3.85Å |
| 130 | M | 97.9 | Very high | 96 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.03 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.6 | -38 | 171.1 | -79.3 | -170.2 | -77.2 | 0 | 0 | 112.7 | E126 I127 V128 N134 V149 I150 F153 T177 V181 | E126-M130 WeakPolarHBondContact O-CB 3.5Å; E126-M130 WeakPolarHBondContact O-CG 3.33Å; E126-M130 PolarHBondContact O-N 2.88Å; I127-M130 HydrophobicContact CD1-CE 3.8Å; V128-M130 PolarHBondContact O-N 3.19Å; M130-N134 WeakPolarHBondContact O-CB 3.46Å; M130-N134 PolarHBondContact O-N 2.72Å; M130-V149 HydrophobicContact CB-CG1 4.1Å; M130-V149 HydrophobicContact CG-CG1 3.99Å; M130-I150 HydrophobicContact SD-CB 4.42Å; M130-I150 HydrophobicContact SD-CG1 3.91Å; M130-F153 HydrophobicContact CG-CB 3.95Å; M130-F153 HydrophobicContact CG-CD1 3.57Å; M130-F153 HydrophobicContact CG-CD2 3.41Å; M130-F153 VanDerWaalsContact CG-CD2 3.41Å; M130-F153 HydrophobicContact CG-CE1 3.83Å; M130-F153 HydrophobicContact CG-CE2 3.67Å; M130-F153 HydrophobicContact CG-CG 3.34Å; M130-F153 HydrophobicContact CG-CZ 3.88Å; M130-F153 HydrophobicContact SD-CB 3.69Å; M130-F153 HydrophobicContact SD-CD1 4.27Å; M130-F153 HydrophobicContact SD-CD2 4.22Å; M130-F153 HydrophobicContact SD-CG 3.81Å; M130-T177 HydrophobicContact CE-CG2 4.22Å; M130-V181 HydrophobicContact CB-CG1 4.19Å; M130-V181 HydrophobicContact CB-CG2 3.79Å; M130-V181 HydrophobicContact CE-CG2 3.96Å; M130-V181 HydrophobicContact SD-CG2 4.09Å |
| 131 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.7 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I127 V128 A129 N134 L135 V181 A184 E185 | I127-A131 PolarHBondContact O-N 2.92Å; V128-A131 CarbonylContact O-C 3.52Å; V128-A131 WeakPolarHBondContact O-CA 3.3Å; V128-A131 WeakPolarHBondContact O-CB 3.5Å; V128-A131 PolarHBondContact O-N 3.16Å; A129-A131 VanDerWaalsContact C-N 3.31Å; A129-A131 PolarHBondContact O-N 2.81Å; A131-N134 PolarHBondContact O-N 3.4Å; A131-L135 WeakPolarHBondContact O-CB 3.1Å; A131-L135 PolarHBondContact O-N 2.72Å; A131-V181 HydrophobicContact CB-CG1 4.46Å; A131-A184 HydrophobicContact CB-CB 3.78Å; A131-E185 HydrophobicContact CB-CB 4.15Å |
| 132 | C | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.9 | -45.9 | 179.3 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | I90 F111 V128 A129 L135 A136 | I90-C132 HydrophobicContact CD1-CB 4.36Å; F111-C132 HydrophobicContact CB-CB 4.34Å; V128-C132 WeakPolarHBondContact O-CB 3.21Å; V128-C132 PolarHBondContact O-N 3Å; V128-C132 PolarHBondContact O-SG 3.11Å; A129-C132 PolarHBondContact O-N 3.09Å; C132-L135 PolarHBondContact O-N 3.08Å; C132-A136 VanDerWaalsContact O-CB 3.23Å; C132-A136 WeakPolarHBondContact O-CB 3.39Å; C132-A136 PolarHBondContact O-N 2.9Å |
| 133 | I | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68 | -36 | 176.5 | -165.4 | 68.4 | 0 | 0 | 0 | 111.8 | I90 L97 L99 M104 A129 S137 V149 F153 | I90-I133 HydrophobicContact CG2-CD1 3.95Å; L97-I133 HydrophobicContact CD1-CG1 4.19Å; L99-I133 HydrophobicContact CD1-CD1 3.63Å; L99-I133 HydrophobicContact CD1-CG1 3.7Å; M104-I133 HydrophobicContact CG-CD1 4.48Å; A129-I133 WeakPolarHBondContact O-CG2 3.34Å; A129-I133 PolarHBondContact O-N 2.75Å; I133-S137 WeakPolarHBondContact O-CB 3.47Å; I133-S137 PolarHBondContact O-N 2.93Å; I133-V149 HydrophobicContact CG2-CG1 3.69Å; I133-F153 HydrophobicContact CG2-CE2 4.1Å |
| 134 | N | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 175.7 | -176.1 | 82.5 | 0 | 0 | 0 | 111.7 | M130 A131 S137 K138 I146 E185 | M130-N134 WeakPolarHBondContact O-CB 3.46Å; M130-N134 PolarHBondContact O-N 2.72Å; A131-N134 PolarHBondContact O-N 3.4Å; N134-S137 PolarHBondContact O-OG 3.21Å; N134-K138 PolarHBondContact ND2-NZ 3.49Å; N134-I146 WeakPolarHBondContact OD1-CG1 3.31Å; N134-E185 VanDerWaalsContact ND2-CD 3.35Å; N134-E185 PolarHBondContact ND2-OE1 3.33Å; N134-E185 PolarHBondContact ND2-OE2 3.49Å |
| 135 | L | 97.2 | Very high | 96.4 | Very high | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68 | -47.8 | 176.8 | 178.2 | 55.4 | 0 | 0 | 0 | 111.6 | L110 A131 C132 S137 K138 I139 V188 L189 V196 | L110-L135 HydrophobicContact CD1-CD2 4.28Å; L110-L135 HydrophobicContact CD1-CG 4.29Å; A131-L135 WeakPolarHBondContact O-CB 3.1Å; A131-L135 PolarHBondContact O-N 2.72Å; C132-L135 PolarHBondContact O-N 3.08Å; L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 2.97Å; L135-K138 WeakPolarHBondContact O-CB 3.37Å; L135-K138 PolarHBondContact O-N 3.09Å; L135-I139 HydrophobicContact CD1-CD1 4.03Å; L135-I139 HydrophobicContact CD1-CG1 4.37Å; L135-I139 HydrophobicContact CG-CD1 3.81Å; L135-I139 WeakPolarHBondContact O-CG1 3.39Å; L135-I139 PolarHBondContact O-N 2.9Å; L135-I139 VanDerWaalsContact O-N 3.09Å; L135-V188 HydrophobicContact CD2-CB 4.39Å; L135-V188 HydrophobicContact CD2-CG1 3.83Å; L135-L189 HydrophobicContact CD1-CD1 4.42Å; L135-L189 HydrophobicContact CD1-CD2 4.07Å; L135-L189 HydrophobicContact CD1-CG 4.34Å; L135-L189 HydrophobicContact CD2-CD2 4.12Å; L135-L189 HydrophobicContact CD2-CG 4.04Å; L135-V196 HydrophobicContact CD2-CG1 4.41Å |
| 136 | A | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.7 | -37.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A103 T106 L110 C132 K138 I139 E140 | A103-A136 VanDerWaalsContact O-CB 3.29Å; A103-A136 WeakPolarHBondContact O-CB 3.49Å; T106-A136 HydrophobicContact CG2-CB 3.75Å; L110-A136 HydrophobicContact CD1-CB 4.43Å; C132-A136 VanDerWaalsContact O-CB 3.23Å; C132-A136 WeakPolarHBondContact O-CB 3.39Å; C132-A136 PolarHBondContact O-N 2.9Å; A136-K138 PolarHBondContact O-N 3.2Å; A136-I139 PolarHBondContact O-N 2.99Å; A136-E140 PolarHBondContact O-N 2.93Å |
| 137 | S | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.4 | -27.3 | 174.3 | 80.3 | 0 | 0 | 0 | 0 | 113.2 | I133 N134 L135 A142 P143 R144 | I133-S137 WeakPolarHBondContact O-CB 3.47Å; I133-S137 PolarHBondContact O-N 2.93Å; N134-S137 PolarHBondContact O-OG 3.21Å; L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 2.97Å; S137-A142 CarbonylContact O-C 3.28Å; S137-A142 WeakPolarHBondContact O-CA 3.48Å; S137-A142 PolarHBondContact O-N 2.93Å; S137-P143 VanDerWaalsContact O-CA 3.31Å; S137-P143 WeakPolarHBondContact O-CA 3.42Å; S137-R144 PolarHBondContact OG-N 2.85Å |
| 138 | K | 96.6 | Very high | 96.5 | Very high | 86 Ų | 86 | 45.2 Ų | 45.2 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -82.5 | -40.5 | 175.1 | -60.5 | 166.4 | -175.9 | 175 | 0 | 111.7 | N134 L135 A136 E140 E141 E185 | N134-K138 PolarHBondContact ND2-NZ 3.49Å; L135-K138 WeakPolarHBondContact O-CB 3.37Å; L135-K138 PolarHBondContact O-N 3.09Å; A136-K138 PolarHBondContact O-N 3.2Å; K138-E140 PolarHBondContact O-N 3.47Å; K138-E141 PolarHBondContact O-N 3.35Å; K138-E185 WeakPolarHBondContact CE-OE1 3.39Å; K138-E185 IonicContact NZ-OE1 3.02Å; K138-E185 PolarHBondContact NZ-OE1 2.61Å; K138-E185 IonicContact NZ-OE2 2.66Å; K138-E185 PolarHBondContact NZ-OE2 2.65Å |
| 139 | I | 95.5 | Very high | 96.4 | Very high | 47 Ų | 47 | 45 Ų | 45 | 24% | 0.241 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | -178.4 | -66.6 | 161.2 | 0 | 0 | 0 | 111.5 | T106 L110 L135 A136 E141 V196 | T106-I139 HydrophobicContact CG2-CD1 4.33Å; T106-I139 HydrophobicContact CG2-CG2 4.36Å; L110-I139 HydrophobicContact CD1-CD1 3.86Å; L135-I139 HydrophobicContact CD1-CD1 4.03Å; L135-I139 HydrophobicContact CD1-CG1 4.37Å; L135-I139 HydrophobicContact CG-CD1 3.81Å; L135-I139 WeakPolarHBondContact O-CG1 3.39Å; L135-I139 PolarHBondContact O-N 2.9Å; L135-I139 VanDerWaalsContact O-N 3.09Å; A136-I139 PolarHBondContact O-N 2.99Å; I139-E141 VanDerWaalsContact C-N 3.27Å; I139-E141 PolarHBondContact O-N 3.42Å; I139-V196 HydrophobicContact CD1-CB 3.69Å; I139-V196 HydrophobicContact CD1-CG2 3.62Å; I139-V196 HydrophobicContact CG1-CG2 4.1Å |
| 140 | E | 95.3 | Very high | 96.4 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 27% | 0.271 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 22.2 | 177.6 | -51.2 | -57 | 149.1 | 0 | 0 | 113.4 | V102 A103 T106 A136 K138 A142 | V102-E140 HydrophobicContact CG1-CG 4.42Å; V102-E140 WeakPolarHBondContact CG1-OE2 3.25Å; A103-E140 HydrophobicContact CB-CB 3.97Å; A103-E140 HydrophobicContact CB-CG 3.7Å; T106-E140 WeakPolarHBondContact CB-OE1 3.39Å; T106-E140 PolarHBondContact OG1-OE1 3.48Å; A136-E140 PolarHBondContact O-N 2.93Å; K138-E140 PolarHBondContact O-N 3.47Å; E140-A142 PolarHBondContact O-N 3.31Å |
| 141 | E | 95.1 | Very high | 96.2 | Very high | 167 Ų | 167 | 48.1 Ų | 48.1 | 78% | 0.78 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 29.6 | 179.4 | -64.7 | -60.3 | 156.6 | 0 | 0 | 115.3 | K138 I139 P143 | K138-E141 PolarHBondContact O-N 3.35Å; I139-E141 VanDerWaalsContact C-N 3.27Å; I139-E141 PolarHBondContact O-N 3.42Å; E141-P143 WeakPolarHBondContact O-CD 3.36Å |
| 142 | A | 94.9 | Very high | 96.1 | Very high | 18 Ų | 18 | 49 Ų | 49 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | trans | -121.4 | 50.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L99 P100 S137 E140 R144 | L99-A142 HydrophobicContact CD2-CB 4.06Å; L99-A142 VanDerWaalsContact CD2-O 3.25Å; L99-A142 WeakPolarHBondContact CD2-O 3.41Å; P100-A142 HydrophobicContact CG-CB 4.32Å; S137-A142 CarbonylContact O-C 3.28Å; S137-A142 WeakPolarHBondContact O-CA 3.48Å; S137-A142 PolarHBondContact O-N 2.93Å; E140-A142 PolarHBondContact O-N 3.31Å; A142-R144 PolarHBondContact O-NH1 3.16Å | ||
| 143 | P | 95.8 | Very high | 96 | Very high | 77 Ų | 77 | 49.3 Ų | 49.3 | 50% | 0.5 | 23% | 0.23 | S | C | . | . | trans | -62.5 | 150.1 | -165.9 | 24 | -35.1 | 0 | 0 | 0 | 113.5 | S137 E141 | S137-P143 VanDerWaalsContact O-CA 3.31Å; S137-P143 WeakPolarHBondContact O-CA 3.42Å; E141-P143 WeakPolarHBondContact O-CD 3.36Å | ||
| 144 | R | 96.1 | Very high | 95.8 | Very high | 81 Ų | 81 | 51.8 Ų | 51.8 | 31% | 0.306 | 24% | 0.241 | S | C | . | . | trans | -124.3 | 158.3 | 173 | -60.4 | -66.6 | 176.8 | -93 | -0.3 | 110.1 | L97 R98 L99 S137 A142 V149 | L97-R144 HydrophobicContact CB-CG 4.4Å; L97-R144 HydrophobicContact CD2-CG 4.5Å; L97-R144 PolarHBondContact O-NE 3.23Å; R98-R144 PolarHBondContact O-NH2 3.04Å; L99-R144 HydrophobicContact CD1-CG 4.44Å; L99-R144 HydrophobicContact CD2-CG 3.93Å; L99-R144 HydrophobicContact CG-CG 4.26Å; S137-R144 PolarHBondContact OG-N 2.85Å; A142-R144 PolarHBondContact O-NH1 3.16Å; R144-V149 HydrophobicContact CB-CG2 4.43Å | ||
| 145 | R | 95.5 | Very high | 95.5 | Very high | 185 Ų | 185 | 54.8 Ų | 54.8 | 70% | 0.698 | 26% | 0.255 | S | S | * | . | trans | -80 | 139.4 | 177.1 | -52 | 172.2 | 165.7 | 177 | -5 | 108.7 | R147 D148 V149 | R145-R147 PolarHBondContact O-N 2.98Å; R145-R147 VanDerWaalsContact O-N 3.08Å; R145-D148 VanDerWaalsContact CB-OD2 3.24Å; R145-D148 WeakPolarHBondContact CB-OD2 3.39Å; R145-D148 WeakPolarHBondContact CG-OD2 3.48Å; R145-D148 PolarHBondContact N-OD2 3.38Å; R145-D148 WeakPolarHBondContact O-CA 3.29Å; R145-D148 WeakPolarHBondContact O-CB 3.46Å; R145-D148 PolarHBondContact O-N 3.21Å; R145-V149 PolarHBondContact O-N 3.37Å | ||
| 146 | I | 95.3 | Very high | 95.3 | Very high | 36 Ų | 36 | 55.3 Ų | 55.3 | 19% | 0.185 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.2 | -32.7 | 178 | -63.9 | 165.6 | 0 | 0 | 0 | 112 | N134 D148 V149 I150 K178 V181 I182 | N134-I146 WeakPolarHBondContact OD1-CG1 3.31Å; I146-D148 VanDerWaalsContact C-N 3.34Å; I146-D148 PolarHBondContact O-N 3.16Å; I146-V149 PolarHBondContact O-N 2.67Å; I146-I150 HydrophobicContact CG2-CD1 3.77Å; I146-I150 HydrophobicContact CG2-CG1 4.37Å; I146-I150 VanDerWaalsContact O-CG1 3.29Å; I146-I150 WeakPolarHBondContact O-CG1 3.37Å; I146-I150 PolarHBondContact O-N 3.5Å; I146-K178 HydrophobicContact CG2-CG 4.07Å; I146-V181 HydrophobicContact CG2-CG1 4.42Å; I146-I182 HydrophobicContact CD1-CD1 4.08Å; I146-I182 HydrophobicContact CD1-CG1 3.81Å |
| 147 | R | 95.1 | Very high | 95 | Very high | 117 Ų | 117 | 61.4 Ų | 61.4 | 44% | 0.442 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58 | -45.6 | 172.9 | 179.4 | -174.7 | -76.1 | 151.8 | -7.3 | 111.8 | R145 V149 I150 N151 | R145-R147 PolarHBondContact O-N 2.98Å; R145-R147 VanDerWaalsContact O-N 3.08Å; R147-V149 VanDerWaalsContact C-N 3.34Å; R147-I150 PolarHBondContact O-N 3.06Å; R147-N151 WeakPolarHBondContact O-CB 3.33Å; R147-N151 PolarHBondContact O-N 2.99Å; R147-N151 PolarHBondContact O-OD1 2.73Å |
| 148 | D | 95.8 | Very high | 94.6 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.3 | -38.5 | -174.4 | -44.7 | -23.4 | 0 | 0 | 0 | 109.8 | L97 R145 I146 N151 V152 | L97-D148 HydrophobicContact CD2-CB 4.09Å; R145-D148 VanDerWaalsContact CB-OD2 3.24Å; R145-D148 WeakPolarHBondContact CB-OD2 3.39Å; R145-D148 WeakPolarHBondContact CG-OD2 3.48Å; R145-D148 PolarHBondContact N-OD2 3.38Å; R145-D148 WeakPolarHBondContact O-CA 3.29Å; R145-D148 WeakPolarHBondContact O-CB 3.46Å; R145-D148 PolarHBondContact O-N 3.21Å; I146-D148 VanDerWaalsContact C-N 3.34Å; I146-D148 PolarHBondContact O-N 3.16Å; D148-N151 PolarHBondContact O-N 2.57Å; D148-V152 WeakPolarHBondContact O-CB 3.19Å; D148-V152 WeakPolarHBondContact O-CG2 3.36Å; D148-V152 PolarHBondContact O-N 2.7Å |
| 149 | V | 96.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.3 | -49.1 | 171.4 | -179 | 0 | 0 | 0 | 0 | 111.3 | L97 M130 I133 R144 R145 I146 R147 V152 F153 | L97-V149 HydrophobicContact CD1-CG2 3.98Å; L97-V149 HydrophobicContact CD2-CG2 4.44Å; M130-V149 HydrophobicContact CB-CG1 4.1Å; M130-V149 HydrophobicContact CG-CG1 3.99Å; I133-V149 HydrophobicContact CG2-CG1 3.69Å; R144-V149 HydrophobicContact CB-CG2 4.43Å; R145-V149 PolarHBondContact O-N 3.37Å; I146-V149 PolarHBondContact O-N 2.67Å; R147-V149 VanDerWaalsContact C-N 3.34Å; V149-V152 PolarHBondContact O-N 3.4Å; V149-F153 HydrophobicContact CG1-CD2 4.22Å; V149-F153 HydrophobicContact CG1-CE2 4.32Å; V149-F153 WeakPolarHBondContact O-CD2 3.4Å; V149-F153 PolarHBondContact O-N 2.95Å |
| 150 | I | 96.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 179.6 | -62.6 | 165.6 | 0 | 0 | 0 | 111.1 | M130 I146 R147 V152 F153 H154 L168 Y174 T177 K178 | M130-I150 HydrophobicContact SD-CB 4.42Å; M130-I150 HydrophobicContact SD-CG1 3.91Å; I146-I150 HydrophobicContact CG2-CD1 3.77Å; I146-I150 HydrophobicContact CG2-CG1 4.37Å; I146-I150 VanDerWaalsContact O-CG1 3.29Å; I146-I150 WeakPolarHBondContact O-CG1 3.37Å; I146-I150 PolarHBondContact O-N 3.5Å; R147-I150 PolarHBondContact O-N 3.06Å; I150-V152 VanDerWaalsContact C-N 3.31Å; I150-V152 PolarHBondContact O-N 3.17Å; I150-F153 PolarHBondContact O-N 2.88Å; I150-H154 VanDerWaalsContact O-CB 3.28Å; I150-H154 WeakPolarHBondContact O-CB 3.34Å; I150-H154 PolarHBondContact O-N 3.25Å; I150-L168 HydrophobicContact CB-CD2 4.48Å; I150-L168 HydrophobicContact CG2-CD2 3.72Å; I150-Y174 HydrophobicContact CD1-CD2 4.46Å; I150-Y174 HydrophobicContact CD1-CE2 4.05Å; I150-Y174 HydrophobicContact CG2-CD2 4.25Å; I150-Y174 HydrophobicContact CG2-CE2 4.48Å; I150-T177 HydrophobicContact CD1-CG2 4.38Å; I150-T177 HydrophobicContact CG1-CG2 4.47Å; I150-T177 HydrophobicContact CG2-CG2 4.18Å; I150-K178 HydrophobicContact CD1-CB 3.94Å; I150-K178 HydrophobicContact CD1-CG 4.44Å |
| 151 | N | 94.9 | Very high | 92.9 | Very high | 62 Ų | 62 | 63 Ų | 63 | 33% | 0.332 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.2 | -44.7 | 174 | -74 | -9.1 | 0 | 0 | 0 | 111.5 | R147 D148 H154 H155 L168 | R147-N151 WeakPolarHBondContact O-CB 3.33Å; R147-N151 PolarHBondContact O-N 2.99Å; R147-N151 PolarHBondContact O-OD1 2.73Å; D148-N151 PolarHBondContact O-N 2.57Å; N151-H154 PolarHBondContact O-N 3.44Å; N151-H155 WeakPolarHBondContact O-CB 3.4Å; N151-H155 PolarHBondContact O-N 3.43Å; N151-L168 WeakPolarHBondContact OD1-CD2 3.49Å |
| 152 | V | 95.3 | Very high | 92.1 | Very high | 20 Ų | 20 | 64.4 Ų | 64.4 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 179.5 | 163.8 | 0 | 0 | 0 | 0 | 111.8 | A93 L96 L97 D148 V149 I150 H154 H155 L156 | A93-V152 HydrophobicContact CB-CG1 3.72Å; L96-V152 HydrophobicContact CB-CG1 3.77Å; L96-V152 HydrophobicContact CB-CG2 4.01Å; L96-V152 HydrophobicContact CD1-CG1 3.91Å; L96-V152 HydrophobicContact CG-CG1 4.5Å; L97-V152 HydrophobicContact CD2-CB 4.45Å; L97-V152 HydrophobicContact CD2-CG2 3.89Å; L97-V152 HydrophobicContact CG-CB 4.43Å; L97-V152 HydrophobicContact CG-CG1 4.45Å; L97-V152 HydrophobicContact CG-CG2 4.09Å; D148-V152 WeakPolarHBondContact O-CB 3.19Å; D148-V152 WeakPolarHBondContact O-CG2 3.36Å; D148-V152 PolarHBondContact O-N 2.7Å; V149-V152 PolarHBondContact O-N 3.4Å; I150-V152 VanDerWaalsContact C-N 3.31Å; I150-V152 PolarHBondContact O-N 3.17Å; V152-H154 PolarHBondContact O-N 3.14Å; V152-H155 PolarHBondContact O-N 2.99Å; V152-L156 HydrophobicContact CG1-CD1 4.09Å; V152-L156 WeakPolarHBondContact O-CG 3.16Å; V152-L156 PolarHBondContact O-N 3.22Å |
| 153 | F | 95 | Very high | 91.3 | Very high | 5 Ų | 5 | 72.7 Ų | 72.7 | 2% | 0.022 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66 | -36.6 | 175.2 | -89 | -106.7 | 0 | 0 | 0 | 112.6 | L89 A93 A129 M130 I133 V149 I150 L156 R157 | L89-F153 HydrophobicContact CB-CE1 4.29Å; A93-F153 HydrophobicContact CB-CD2 3.91Å; A93-F153 HydrophobicContact CB-CE2 3.34Å; A93-F153 HydrophobicContact CB-CZ 4.03Å; A129-F153 HydrophobicContact CB-CE1 3.82Å; A129-F153 HydrophobicContact CB-CZ 3.85Å; M130-F153 HydrophobicContact CG-CB 3.95Å; M130-F153 HydrophobicContact CG-CD1 3.57Å; M130-F153 HydrophobicContact CG-CD2 3.41Å; M130-F153 VanDerWaalsContact CG-CD2 3.41Å; M130-F153 HydrophobicContact CG-CE1 3.83Å; M130-F153 HydrophobicContact CG-CE2 3.67Å; M130-F153 HydrophobicContact CG-CG 3.34Å; M130-F153 HydrophobicContact CG-CZ 3.88Å; M130-F153 HydrophobicContact SD-CB 3.69Å; M130-F153 HydrophobicContact SD-CD1 4.27Å; M130-F153 HydrophobicContact SD-CD2 4.22Å; M130-F153 HydrophobicContact SD-CG 3.81Å; I133-F153 HydrophobicContact CG2-CE2 4.1Å; V149-F153 HydrophobicContact CG1-CD2 4.22Å; V149-F153 HydrophobicContact CG1-CE2 4.32Å; V149-F153 WeakPolarHBondContact O-CD2 3.4Å; V149-F153 PolarHBondContact O-N 2.95Å; I150-F153 PolarHBondContact O-N 2.88Å; F153-L156 PolarHBondContact O-N 3.12Å; F153-R157 WeakPolarHBondContact O-CB 3.28Å; F153-R157 PolarHBondContact O-N 2.99Å |
| 154 | H | 93 | Very high | 90.4 | Very high | 53 Ų | 53 | 75 Ų | 75 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 172.6 | -178.5 | -112.6 | 0 | 0 | 0 | 111.5 | I150 N151 V152 R157 Q158 L168 | I150-H154 VanDerWaalsContact O-CB 3.28Å; I150-H154 WeakPolarHBondContact O-CB 3.34Å; I150-H154 PolarHBondContact O-N 3.25Å; N151-H154 PolarHBondContact O-N 3.44Å; V152-H154 PolarHBondContact O-N 3.14Å; H154-R157 PolarHBondContact O-N 2.98Å; H154-Q158 PolarHBondContact CE1-NE2 3.17Å; H154-Q158 PolarHBondContact ND1-NE2 2.77Å; H154-Q158 WeakPolarHBondContact O-CG 3.31Å; H154-Q158 PolarHBondContact O-N 2.93Å; H154-L168 HydrophobicContact CB-CD1 4.18Å |
| 155 | H | 92.5 | Very high | 89.6 | Confident | 65 Ų | 65 | 75.3 Ų | 75.3 | 30% | 0.301 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 176 | -177.9 | 53.1 | 0 | 0 | 0 | 112.4 | N151 V152 R157 Q158 L159 | N151-H155 WeakPolarHBondContact O-CB 3.4Å; N151-H155 PolarHBondContact O-N 3.43Å; V152-H155 PolarHBondContact O-N 2.99Å; H155-R157 VanDerWaalsContact C-N 3.31Å; H155-R157 PolarHBondContact O-N 3.14Å; H155-Q158 WeakPolarHBondContact O-CB 3.36Å; H155-Q158 PolarHBondContact O-N 2.84Å; H155-Q158 VanDerWaalsContact O-N 3.15Å; H155-L159 WeakPolarHBondContact O-CG 3.21Å; H155-L159 PolarHBondContact O-N 3.47Å |
| 156 | L | 92.6 | Very high | 89 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 11% | 0.105 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 174.9 | -73 | 170.1 | 0 | 0 | 0 | 111.8 | A92 A93 L96 V152 F153 Q158 L159 R160 | A92-L156 HydrophobicContact CB-CD1 4.2Å; A92-L156 HydrophobicContact CB-CD2 3.96Å; A93-L156 HydrophobicContact CB-CD1 3.92Å; L96-L156 HydrophobicContact CD1-CD1 4.41Å; L96-L156 HydrophobicContact CD1-CD2 3.81Å; L96-L156 HydrophobicContact CD1-CG 3.98Å; V152-L156 HydrophobicContact CG1-CD1 4.09Å; V152-L156 WeakPolarHBondContact O-CG 3.16Å; V152-L156 PolarHBondContact O-N 3.22Å; F153-L156 PolarHBondContact O-N 3.12Å; L156-Q158 PolarHBondContact O-N 3.38Å; L156-L159 PolarHBondContact O-N 2.92Å; L156-R160 WeakPolarHBondContact O-CG 3.26Å; L156-R160 PolarHBondContact O-N 2.89Å |
| 157 | R | 90.2 | Very high | 88.4 | Confident | 129 Ų | 129 | 73.2 Ų | 73.2 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62 | -40.1 | 175.9 | -172.1 | -172.7 | -75.1 | -172.5 | -4.2 | 112.1 | E126 F153 H154 H155 G161 | E126-R157 IonicContact OE2-CZ 3.45Å; E126-R157 IonicContact OE2-NE 3.58Å; E126-R157 PolarHBondContact OE2-NE 2.85Å; E126-R157 VanDerWaalsContact OE2-NE 3.16Å; E126-R157 IonicContact OE2-NH2 2.72Å; E126-R157 PolarHBondContact OE2-NH2 3.11Å; F153-R157 WeakPolarHBondContact O-CB 3.28Å; F153-R157 PolarHBondContact O-N 2.99Å; H154-R157 PolarHBondContact O-N 2.98Å; H155-R157 VanDerWaalsContact C-N 3.31Å; H155-R157 PolarHBondContact O-N 3.14Å; R157-G161 PolarHBondContact O-N 3.4Å |
| 158 | Q | 88.3 | Confident | 87.9 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 8% | 0.075 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 174.7 | -69.6 | 166.8 | -15.4 | 0 | 0 | 112.2 | H154 H155 L156 R160 G161 K162 R163 S166 | H154-Q158 PolarHBondContact CE1-NE2 3.17Å; H154-Q158 PolarHBondContact ND1-NE2 2.77Å; H154-Q158 WeakPolarHBondContact O-CG 3.31Å; H154-Q158 PolarHBondContact O-N 2.93Å; H155-Q158 WeakPolarHBondContact O-CB 3.36Å; H155-Q158 PolarHBondContact O-N 2.84Å; H155-Q158 VanDerWaalsContact O-N 3.15Å; L156-Q158 PolarHBondContact O-N 3.38Å; Q158-R160 PolarHBondContact O-N 2.74Å; Q158-G161 CarbonylContact O-C 3.15Å; Q158-G161 PolarHBondContact O-N 3.23Å; Q158-K162 PolarHBondContact O-N 3.24Å; Q158-R163 PolarHBondContact O-N 2.95Å; Q158-S166 VanDerWaalsContact NE2-N 3.15Å; Q158-S166 PolarHBondContact NE2-O 3.4Å; Q158-S166 PolarHBondContact NE2-OG 2.99Å |
| 159 | L | 87.5 | Confident | 87.3 | Confident | 95 Ų | 95 | 72.9 Ų | 72.9 | 50% | 0.497 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.3 | -43.6 | 178.4 | -69 | 176.2 | 0 | 0 | 0 | 111.8 | H155 L156 G161 K162 | H155-L159 WeakPolarHBondContact O-CG 3.21Å; H155-L159 PolarHBondContact O-N 3.47Å; L156-L159 PolarHBondContact O-N 2.92Å; L159-G161 VanDerWaalsContact C-N 3.35Å; L159-G161 PolarHBondContact O-N 3.23Å; L159-K162 PolarHBondContact O-N 3.29Å |
| 160 | R | 84.4 | Confident | 86.9 | Confident | 76 Ų | 76 | 77.6 Ų | 77.6 | 29% | 0.287 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 174.1 | -66.7 | -166.5 | -45.9 | -111.2 | 6.7 | 111.7 | E126 L156 Q158 K162 Y296 | E126-R160 IonicContact OE1-CZ 2.69Å; E126-R160 IonicContact OE1-NH1 3.27Å; E126-R160 PolarHBondContact OE1-NH1 2.98Å; E126-R160 IonicContact OE1-NH2 3.37Å; E126-R160 PolarHBondContact OE1-NH2 3.23Å; L156-R160 WeakPolarHBondContact O-CG 3.26Å; L156-R160 PolarHBondContact O-N 2.89Å; Q158-R160 PolarHBondContact O-N 2.74Å; R160-K162 PolarHBondContact O-N 3.37Å; R160-Y296 PolarHBondContact NH2-OH 3.36Å |
| 161 | G | 81 | Confident | 86.6 | Confident | 37 Ų | 37 | 80 Ų | 80 | 38% | 0.381 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 7.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R157 Q158 L159 R163 | R157-G161 PolarHBondContact O-N 3.4Å; Q158-G161 CarbonylContact O-C 3.15Å; Q158-G161 PolarHBondContact O-N 3.23Å; L159-G161 VanDerWaalsContact C-N 3.35Å; L159-G161 PolarHBondContact O-N 3.23Å; G161-R163 WeakPolarHBondContact O-CG 3.31Å; G161-R163 PolarHBondContact O-N 3.13Å; G161-R163 VanDerWaalsContact O-N 3.09Å |
| 162 | K | 78 | Confident | 86.5 | Confident | 198 Ų | 198 | 82.3 Ų | 82.3 | 86% | 0.861 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 27.4 | -175.4 | -56.7 | -178.8 | -178.6 | 177.3 | 0 | 114.2 | Q158 L159 R160 | Q158-K162 PolarHBondContact O-N 3.24Å; L159-K162 PolarHBondContact O-N 3.29Å; R160-K162 PolarHBondContact O-N 3.37Å |
| 163 | R | 77.2 | Confident | 86.3 | Confident | 192 Ų | 192 | 86.3 Ų | 86.3 | 73% | 0.725 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -86 | 148.9 | -179 | -60.6 | -171.2 | -178.4 | -177.6 | -0.5 | 110.3 | Q158 G161 | Q158-R163 PolarHBondContact O-N 2.95Å; G161-R163 WeakPolarHBondContact O-CG 3.31Å; G161-R163 PolarHBondContact O-N 3.13Å; G161-R163 VanDerWaalsContact O-N 3.09Å |
| 164 | T | 78.3 | Confident | 86.2 | Confident | 125 Ų | 125 | 87.1 Ų | 87.1 | 77% | 0.767 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 128.6 | 167 | 47.7 | 0 | 0 | 0 | 0 | 109.6 | S166 | T164-S166 PolarHBondContact O-N 3.49Š|
| 165 | P | 78.2 | Confident | 86.3 | Confident | 87 Ų | 87 | 88 Ų | 88 | 57% | 0.565 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -60 | 121.2 | 179.4 | -25.1 | 34.9 | 0 | 0 | 0 | 111.5 | ||
| 166 | S | 83.1 | Confident | 86.5 | Confident | 64 Ų | 64 | 88.1 Ų | 88.1 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | trans | -115.8 | 146.5 | 175.8 | 68.7 | 0 | 0 | 0 | 0 | 111.2 | Q158 T164 | Q158-S166 VanDerWaalsContact NE2-N 3.15Å; Q158-S166 PolarHBondContact NE2-O 3.4Å; Q158-S166 PolarHBondContact NE2-OG 2.99Å; T164-S166 PolarHBondContact O-N 3.49Å | ||
| 167 | P | 83.3 | Confident | 86.6 | Confident | 113 Ų | 113 | 89 Ų | 89 | 73% | 0.734 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 146.9 | 177.8 | 26.8 | -34.8 | 0 | 0 | 0 | 111 | I169 | P167-I169 PolarHBondContact O-N 2.93Š|
| 168 | L | 83.9 | Confident | 86.9 | Confident | 38 Ų | 38 | 86.8 Ų | 86.8 | 20% | 0.199 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 117.6 | 174.6 | -179.5 | 66.9 | 0 | 0 | 0 | 109.8 | I150 N151 H154 Y174 | I150-L168 HydrophobicContact CB-CD2 4.48Å; I150-L168 HydrophobicContact CG2-CD2 3.72Å; N151-L168 WeakPolarHBondContact OD1-CD2 3.49Å; H154-L168 HydrophobicContact CB-CD1 4.18Å; L168-Y174 HydrophobicContact CD2-CD2 3.72Å; L168-Y174 HydrophobicContact CD2-CE2 4.18Å |
| 169 | I | 83.8 | Confident | 87.3 | Confident | 127 Ų | 127 | 89.6 Ų | 89.6 | 65% | 0.651 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -70.9 | 130.9 | 174.7 | -52 | 178.8 | 0 | 0 | 0 | 108.4 | P167 D171 | P167-I169 PolarHBondContact O-N 2.93Å; I169-D171 HydrophobicContact CG2-CB 4.06Å; I169-D171 PolarHBondContact O-N 3.41Å |
| 170 | L | 88.3 | Confident | 87.8 | Confident | 99 Ų | 99 | 89.7 Ų | 89.7 | 52% | 0.518 | 47% | 0.466 | S | S | . | . | trans | -87.4 | 54.3 | -178.3 | -59.8 | -178.5 | 0 | 0 | 0 | 111.6 | Y174 | L170-Y174 HydrophobicContact CB-CD1 4.31Å; L170-Y174 HydrophobicContact CD2-CD1 3.79Å; L170-Y174 HydrophobicContact CD2-CD2 4.26Å; L170-Y174 HydrophobicContact CD2-CE1 3.81Å; L170-Y174 HydrophobicContact CD2-CE2 4.26Å; L170-Y174 HydrophobicContact CD2-CG 4.02Å | ||
| 171 | D | 89 | Confident | 88.4 | Confident | 58 Ų | 58 | 86.1 Ų | 86.1 | 31% | 0.31 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -90.3 | -170.5 | -176 | 75.4 | -20.3 | 0 | 0 | 0 | 113.2 | I169 N173 Y174 I175 | I169-D171 HydrophobicContact CG2-CB 4.06Å; I169-D171 PolarHBondContact O-N 3.41Å; D171-N173 VanDerWaalsContact CG-N 3.3Å; D171-N173 PolarHBondContact O-N 2.92Å; D171-N173 WeakPolarHBondContact OD1-CA 3.25Å; D171-N173 WeakPolarHBondContact OD1-CB 3.16Å; D171-N173 PolarHBondContact OD1-N 2.88Å; D171-N173 WeakPolarHBondContact OD2-CB 3.41Å; D171-N173 PolarHBondContact OD2-N 3.44Å; D171-N173 PolarHBondContact OD2-ND2 3.34Å; D171-Y174 PolarHBondContact O-N 3.42Å; D171-Y174 PolarHBondContact OD1-N 3.49Å; D171-I175 WeakPolarHBondContact O-CG1 3.46Å; D171-I175 PolarHBondContact O-N 3.41Å; D171-I175 VanDerWaalsContact O-N 3.12Å |
| 172 | Q | 92.7 | Very high | 89.2 | Confident | 112 Ų | 112 | 86.3 Ų | 86.3 | 52% | 0.523 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.3 | -29.3 | 173.7 | -171.4 | 57.8 | 44.7 | 0 | 0 | 112.5 | I175 N176 | Q172-I175 PolarHBondContact O-N 2.88Å; Q172-N176 PolarHBondContact NE2-OD1 2.95Å; Q172-N176 VanDerWaalsContact O-CB 3.31Å; Q172-N176 WeakPolarHBondContact O-CB 3.46Å; Q172-N176 PolarHBondContact O-N 3Å; Q172-N176 PolarHBondContact O-ND2 3.46Å; Q172-N176 PolarHBondContact O-OD1 3.19Å |
| 173 | N | 91.6 | Very high | 90.1 | Very high | 103 Ų | 103 | 83.5 Ų | 83.5 | 55% | 0.551 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -70.3 | -36.8 | 176.1 | -62.6 | -61.9 | 0 | 0 | 0 | 112.1 | D171 N176 T177 | D171-N173 VanDerWaalsContact CG-N 3.3Å; D171-N173 PolarHBondContact O-N 2.92Å; D171-N173 WeakPolarHBondContact OD1-CA 3.25Å; D171-N173 WeakPolarHBondContact OD1-CB 3.16Å; D171-N173 PolarHBondContact OD1-N 2.88Å; D171-N173 WeakPolarHBondContact OD2-CB 3.41Å; D171-N173 PolarHBondContact OD2-N 3.44Å; D171-N173 PolarHBondContact OD2-ND2 3.34Å; N173-N176 PolarHBondContact O-N 3.07Å; N173-T177 VanDerWaalsContact O-CB 3.31Å; N173-T177 WeakPolarHBondContact O-CB 3.31Å; N173-T177 PolarHBondContact O-N 3.48Å; N173-T177 PolarHBondContact O-OG1 3.39Å |
| 174 | Y | 93.7 | Very high | 91 | Very high | 23 Ų | 23 | 74.9 Ų | 74.9 | 9% | 0.09 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 168.4 | 164.5 | -105.9 | 0 | 0 | 0 | 111.6 | I150 L168 L170 D171 N176 T177 K178 | I150-Y174 HydrophobicContact CD1-CD2 4.46Å; I150-Y174 HydrophobicContact CD1-CE2 4.05Å; I150-Y174 HydrophobicContact CG2-CD2 4.25Å; I150-Y174 HydrophobicContact CG2-CE2 4.48Å; L168-Y174 HydrophobicContact CD2-CD2 3.72Å; L168-Y174 HydrophobicContact CD2-CE2 4.18Å; L170-Y174 HydrophobicContact CB-CD1 4.31Å; L170-Y174 HydrophobicContact CD2-CD1 3.79Å; L170-Y174 HydrophobicContact CD2-CD2 4.26Å; L170-Y174 HydrophobicContact CD2-CE1 3.81Å; L170-Y174 HydrophobicContact CD2-CE2 4.26Å; L170-Y174 HydrophobicContact CD2-CG 4.02Å; D171-Y174 PolarHBondContact O-N 3.42Å; D171-Y174 PolarHBondContact OD1-N 3.49Å; Y174-N176 VanDerWaalsContact C-N 3.35Å; Y174-N176 PolarHBondContact O-N 3.14Å; Y174-T177 PolarHBondContact O-N 2.92Å; Y174-K178 WeakPolarHBondContact O-CB 3.49Å; Y174-K178 PolarHBondContact O-N 3.45Å |
| 175 | I | 94.9 | Very high | 91.9 | Very high | 72 Ų | 72 | 69.8 Ų | 69.8 | 37% | 0.369 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 177 | -65.7 | 169.8 | 0 | 0 | 0 | 110.7 | D171 Q172 K178 N179 | D171-I175 WeakPolarHBondContact O-CG1 3.46Å; D171-I175 PolarHBondContact O-N 3.41Å; D171-I175 VanDerWaalsContact O-N 3.12Å; Q172-I175 PolarHBondContact O-N 2.88Å; I175-K178 PolarHBondContact O-N 3.03Å; I175-N179 WeakPolarHBondContact O-CB 3.49Å; I175-N179 VanDerWaalsContact O-CG 3.27Å; I175-N179 PolarHBondContact O-N 3.03Å; I175-N179 PolarHBondContact O-ND2 3.5Å |
| 176 | N | 95.8 | Very high | 92.8 | Very high | 67 Ų | 67 | 73.7 Ų | 73.7 | 36% | 0.358 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 176.5 | -70.4 | -15 | 0 | 0 | 0 | 111.3 | Q172 N173 Y174 N179 Q180 | Q172-N176 PolarHBondContact NE2-OD1 2.95Å; Q172-N176 VanDerWaalsContact O-CB 3.31Å; Q172-N176 WeakPolarHBondContact O-CB 3.46Å; Q172-N176 PolarHBondContact O-N 3Å; Q172-N176 PolarHBondContact O-ND2 3.46Å; Q172-N176 PolarHBondContact O-OD1 3.19Å; N173-N176 PolarHBondContact O-N 3.07Å; Y174-N176 VanDerWaalsContact C-N 3.35Å; Y174-N176 PolarHBondContact O-N 3.14Å; N176-N179 PolarHBondContact O-N 3.48Å; N176-Q180 WeakPolarHBondContact O-CG 3.28Å; N176-Q180 PolarHBondContact O-N 3.35Å |
| 177 | T | 95.4 | Very high | 93.4 | Very high | 39 Ų | 39 | 76.1 Ų | 76.1 | 24% | 0.239 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | I127 M130 I150 N173 Y174 N179 Q180 V181 | I127-T177 HydrophobicContact CD1-CG2 4.29Å; M130-T177 HydrophobicContact CE-CG2 4.22Å; I150-T177 HydrophobicContact CD1-CG2 4.38Å; I150-T177 HydrophobicContact CG1-CG2 4.47Å; I150-T177 HydrophobicContact CG2-CG2 4.18Å; N173-T177 VanDerWaalsContact O-CB 3.31Å; N173-T177 WeakPolarHBondContact O-CB 3.31Å; N173-T177 PolarHBondContact O-N 3.48Å; N173-T177 PolarHBondContact O-OG1 3.39Å; Y174-T177 PolarHBondContact O-N 2.92Å; T177-N179 VanDerWaalsContact C-N 3.3Å; T177-N179 PolarHBondContact O-N 3.44Å; T177-Q180 WeakPolarHBondContact O-CB 3.31Å; T177-Q180 PolarHBondContact O-N 3.46Å; T177-Q180 VanDerWaalsContact O-N 3.08Å; T177-V181 WeakPolarHBondContact O-CG2 3.41Å; T177-V181 PolarHBondContact O-N 3.3Å |
| 178 | K | 96.5 | Very high | 94.1 | Very high | 82 Ų | 82 | 70.7 Ų | 70.7 | 36% | 0.357 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.9 | -44 | 175.5 | -177.4 | -168.8 | 173.5 | -165 | 0 | 111.5 | I146 I150 Y174 I175 Q180 V181 I182 | I146-K178 HydrophobicContact CG2-CG 4.07Å; I150-K178 HydrophobicContact CD1-CB 3.94Å; I150-K178 HydrophobicContact CD1-CG 4.44Å; Y174-K178 WeakPolarHBondContact O-CB 3.49Å; Y174-K178 PolarHBondContact O-N 3.45Å; I175-K178 PolarHBondContact O-N 3.03Å; K178-Q180 VanDerWaalsContact C-N 3.34Å; K178-V181 PolarHBondContact O-N 2.98Å; K178-I182 HydrophobicContact CG-CD1 4.01Å; K178-I182 VanDerWaalsContact O-CG1 3.31Å; K178-I182 WeakPolarHBondContact O-CG1 3.35Å; K178-I182 PolarHBondContact O-N 2.99Å |
| 179 | N | 97.2 | Very high | 94.6 | Very high | 75 Ų | 75 | 70.6 Ų | 70.6 | 40% | 0.401 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.8 | -32.2 | 177 | -73.3 | -25.6 | 0 | 0 | 0 | 112.6 | I175 N176 T177 K183 | I175-N179 WeakPolarHBondContact O-CB 3.49Å; I175-N179 VanDerWaalsContact O-CG 3.27Å; I175-N179 PolarHBondContact O-N 3.03Å; I175-N179 PolarHBondContact O-ND2 3.5Å; N176-N179 PolarHBondContact O-N 3.48Å; T177-N179 VanDerWaalsContact C-N 3.3Å; T177-N179 PolarHBondContact O-N 3.44Å; N179-K183 WeakPolarHBondContact O-CB 3.35Å; N179-K183 VanDerWaalsContact O-CG 3.24Å; N179-K183 WeakPolarHBondContact O-CG 3.46Å; N179-K183 PolarHBondContact O-N 3.36Å; N179-K183 VanDerWaalsContact O-N 3.1Å |
| 180 | Q | 97 | Very high | 95.1 | Very high | 96 Ų | 96 | 71.9 Ų | 71.9 | 45% | 0.449 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.1 | -46 | 172.5 | -72.7 | -178.2 | 47.8 | 0 | 0 | 111.9 | I127 N176 T177 K178 I182 K183 A184 | I127-Q180 HydrophobicContact CD1-CB 4.22Å; I127-Q180 HydrophobicContact CG2-CB 3.96Å; N176-Q180 WeakPolarHBondContact O-CG 3.28Å; N176-Q180 PolarHBondContact O-N 3.35Å; T177-Q180 WeakPolarHBondContact O-CB 3.31Å; T177-Q180 PolarHBondContact O-N 3.46Å; T177-Q180 VanDerWaalsContact O-N 3.08Å; K178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-I182 VanDerWaalsContact C-N 3.35Å; Q180-I182 PolarHBondContact O-N 3.31Å; Q180-K183 CarbonylContact O-C 3.59Å; Q180-K183 PolarHBondContact O-N 2.81Å; Q180-K183 VanDerWaalsContact O-N 3.11Å; Q180-A184 WeakPolarHBondContact O-CB 3.44Å; Q180-A184 PolarHBondContact O-N 3.45Å |
| 181 | V | 97.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 176.4 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | I127 M130 A131 I146 T177 K178 K183 A184 E185 | I127-V181 HydrophobicContact CG2-CG2 4.37Å; M130-V181 HydrophobicContact CB-CG1 4.19Å; M130-V181 HydrophobicContact CB-CG2 3.79Å; M130-V181 HydrophobicContact CE-CG2 3.96Å; M130-V181 HydrophobicContact SD-CG2 4.09Å; A131-V181 HydrophobicContact CB-CG1 4.46Å; I146-V181 HydrophobicContact CG2-CG1 4.42Å; T177-V181 WeakPolarHBondContact O-CG2 3.41Å; T177-V181 PolarHBondContact O-N 3.3Å; K178-V181 PolarHBondContact O-N 2.98Å; V181-K183 VanDerWaalsContact C-N 3.3Å; V181-K183 PolarHBondContact O-N 3.41Å; V181-A184 PolarHBondContact O-N 3.25Å; V181-E185 WeakPolarHBondContact O-CB 3.36Å; V181-E185 PolarHBondContact O-N 2.67Å |
| 182 | I | 97 | Very high | 95.4 | Very high | 41 Ų | 41 | 68.3 Ų | 68.3 | 21% | 0.21 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.4 | -30.3 | 176.4 | -69.5 | 167.3 | 0 | 0 | 0 | 112.7 | I146 K178 Q180 R186 | I146-I182 HydrophobicContact CD1-CD1 4.08Å; I146-I182 HydrophobicContact CD1-CG1 3.81Å; K178-I182 HydrophobicContact CG-CD1 4.01Å; K178-I182 VanDerWaalsContact O-CG1 3.31Å; K178-I182 WeakPolarHBondContact O-CG1 3.35Å; K178-I182 PolarHBondContact O-N 2.99Å; Q180-I182 VanDerWaalsContact C-N 3.35Å; Q180-I182 PolarHBondContact O-N 3.31Å; I182-R186 PolarHBondContact O-NE 3.31Å |
| 183 | K | 97.2 | Very high | 95.2 | Very high | 139 Ų | 139 | 65.4 Ų | 65.4 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -76.6 | -35.7 | 173.3 | -76.3 | 172.3 | -179.7 | -177.9 | 0 | 111.8 | N179 Q180 V181 R187 | N179-K183 WeakPolarHBondContact O-CB 3.35Å; N179-K183 VanDerWaalsContact O-CG 3.24Å; N179-K183 WeakPolarHBondContact O-CG 3.46Å; N179-K183 PolarHBondContact O-N 3.36Å; N179-K183 VanDerWaalsContact O-N 3.1Å; Q180-K183 CarbonylContact O-C 3.59Å; Q180-K183 PolarHBondContact O-N 2.81Å; Q180-K183 VanDerWaalsContact O-N 3.11Å; V181-K183 VanDerWaalsContact C-N 3.3Å; V181-K183 PolarHBondContact O-N 3.41Å; K183-R187 PolarHBondContact O-N 2.95Å; K183-R187 VanDerWaalsContact O-N 3.13Å |
| 184 | A | 97.3 | Very high | 95.1 | Very high | 12 Ų | 12 | 67.7 Ų | 67.7 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.6 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I127 A131 Q180 V181 R186 R187 V188 | I127-A184 HydrophobicContact CG2-CB 3.8Å; A131-A184 HydrophobicContact CB-CB 3.78Å; Q180-A184 WeakPolarHBondContact O-CB 3.44Å; Q180-A184 PolarHBondContact O-N 3.45Å; V181-A184 PolarHBondContact O-N 3.25Å; A184-R186 VanDerWaalsContact C-N 3.35Å; A184-R186 PolarHBondContact O-N 3.06Å; A184-R187 CarbonylContact O-C 2.91Å; A184-R187 WeakPolarHBondContact O-CA 3.45Å; A184-R187 WeakPolarHBondContact O-CB 3.37Å; A184-R187 PolarHBondContact O-N 3.1Å; A184-V188 WeakPolarHBondContact O-CG2 3.09Å; A184-V188 PolarHBondContact O-N 3.14Å |
| 185 | E | 96.8 | Very high | 94.9 | Very high | 18 Ų | 18 | 68.6 Ų | 68.6 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -56.4 | -47.4 | 174.2 | 174.7 | 168.1 | -127.1 | 0 | 0 | 111.7 | A131 N134 K138 V181 R187 V188 L189 | A131-E185 HydrophobicContact CB-CB 4.15Å; N134-E185 VanDerWaalsContact ND2-CD 3.35Å; N134-E185 PolarHBondContact ND2-OE1 3.33Å; N134-E185 PolarHBondContact ND2-OE2 3.49Å; K138-E185 WeakPolarHBondContact CE-OE1 3.39Å; K138-E185 IonicContact NZ-OE1 3.02Å; K138-E185 PolarHBondContact NZ-OE1 2.61Å; K138-E185 IonicContact NZ-OE2 2.66Å; K138-E185 PolarHBondContact NZ-OE2 2.65Å; V181-E185 WeakPolarHBondContact O-CB 3.36Å; V181-E185 PolarHBondContact O-N 2.67Å; E185-R187 VanDerWaalsContact C-N 3.25Å; E185-R187 PolarHBondContact O-N 3.18Å; E185-V188 PolarHBondContact O-N 3.33Å; E185-L189 HydrophobicContact CG-CD1 4.41Å; E185-L189 PolarHBondContact O-N 2.93Å |
| 186 | R | 96.9 | Very high | 94.7 | Very high | 169 Ų | 169 | 66.2 Ų | 66.2 | 64% | 0.638 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.4 | -28.8 | 173.5 | -77.4 | -173.1 | -92.4 | -178.8 | -15.2 | 113.5 | I182 A184 K190 | I182-R186 PolarHBondContact O-NE 3.31Å; A184-R186 VanDerWaalsContact C-N 3.35Å; A184-R186 PolarHBondContact O-N 3.06Å; R186-K190 PolarHBondContact O-N 3.36Å |
| 187 | R | 96.5 | Very high | 94.3 | Very high | 114 Ų | 114 | 67.8 Ų | 67.8 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -74.2 | -46.6 | 174.8 | -163.6 | 175.3 | -66.1 | -174.1 | -0.7 | 110.8 | F114 H123 K183 A184 E185 L189 K190 E191 | F114-R187 HydrophobicContact CE2-CG 4.08Å; F114-R187 HydrophobicContact CZ-CG 4.39Å; H123-R187 PolarHBondContact CD2-NH1 3.46Å; H123-R187 WeakPolarHBondContact NE2-CD 3.42Å; H123-R187 PolarHBondContact NE2-NH1 3.5Å; K183-R187 PolarHBondContact O-N 2.95Å; K183-R187 VanDerWaalsContact O-N 3.13Å; A184-R187 CarbonylContact O-C 2.91Å; A184-R187 WeakPolarHBondContact O-CA 3.45Å; A184-R187 WeakPolarHBondContact O-CB 3.37Å; A184-R187 PolarHBondContact O-N 3.1Å; E185-R187 VanDerWaalsContact C-N 3.25Å; E185-R187 PolarHBondContact O-N 3.18Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.4Å; R187-K190 PolarHBondContact O-N 3.4Å; R187-K190 VanDerWaalsContact O-N 3.13Å; R187-E191 HydrophobicContact CG-CG 3.91Å; R187-E191 VanDerWaalsContact O-CG 3.27Å; R187-E191 WeakPolarHBondContact O-CG 3.44Å; R187-E191 PolarHBondContact O-N 2.95Å |
| 188 | V | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -54.6 | -48.8 | 175.5 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | F114 V128 L135 A184 E185 K190 E191 L192 | F114-V188 HydrophobicContact CD2-CB 4.32Å; F114-V188 HydrophobicContact CD2-CG2 3.76Å; F114-V188 HydrophobicContact CE2-CG2 4.17Å; F114-V188 HydrophobicContact CG-CG2 4.15Å; V128-V188 HydrophobicContact CG1-CG2 4.33Å; L135-V188 HydrophobicContact CD2-CB 4.39Å; L135-V188 HydrophobicContact CD2-CG1 3.83Å; A184-V188 WeakPolarHBondContact O-CG2 3.09Å; A184-V188 PolarHBondContact O-N 3.14Å; E185-V188 PolarHBondContact O-N 3.33Å; V188-K190 PolarHBondContact O-N 3.11Å; V188-E191 PolarHBondContact O-N 2.78Å; V188-L192 HydrophobicContact CG1-CD1 3.75Å; V188-L192 HydrophobicContact CG1-CG 4.4Å; V188-L192 WeakPolarHBondContact O-CB 3.34Å; V188-L192 VanDerWaalsContact O-CG 3.3Å; V188-L192 WeakPolarHBondContact O-CG 3.38Å; V188-L192 PolarHBondContact O-N 3.19Å; V188-L192 VanDerWaalsContact O-N 3.07Å |
| 189 | L | 95.2 | Very high | 93.8 | Very high | 35 Ų | 35 | 66.2 Ų | 66.2 | 18% | 0.183 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 176.2 | -75.4 | 164.4 | 0 | 0 | 0 | 113.2 | L135 E185 R187 G193 F194 V196 | L135-L189 HydrophobicContact CD1-CD1 4.42Å; L135-L189 HydrophobicContact CD1-CD2 4.07Å; L135-L189 HydrophobicContact CD1-CG 4.34Å; L135-L189 HydrophobicContact CD2-CD2 4.12Å; L135-L189 HydrophobicContact CD2-CG 4.04Å; E185-L189 HydrophobicContact CG-CD1 4.41Å; E185-L189 PolarHBondContact O-N 2.93Å; R187-L189 VanDerWaalsContact C-N 3.32Å; R187-L189 PolarHBondContact O-N 3.4Å; L189-G193 PolarHBondContact O-N 3.44Å; L189-F194 HydrophobicContact CB-CD1 4.35Å; L189-F194 HydrophobicContact CB-CE1 4.05Å; L189-F194 HydrophobicContact CB-CZ 4.34Å; L189-F194 HydrophobicContact CD1-CE1 4.46Å; L189-F194 HydrophobicContact CD2-CD1 3.8Å; L189-F194 HydrophobicContact CD2-CE1 4.04Å; L189-F194 HydrophobicContact CG-CE1 4.42Å; L189-F194 PolarHBondContact O-N 3.07Å; L189-V196 HydrophobicContact CD2-CG1 3.94Å |
| 190 | K | 94.2 | Very high | 93.5 | Very high | 155 Ų | 155 | 63.8 Ų | 63.8 | 67% | 0.674 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.1 | -48.3 | 178.8 | -175.7 | -176.7 | 176.4 | -175.1 | 0 | 112.5 | R186 R187 V188 L192 G193 | R186-K190 PolarHBondContact O-N 3.36Å; R187-K190 PolarHBondContact O-N 3.4Å; R187-K190 VanDerWaalsContact O-N 3.13Å; V188-K190 PolarHBondContact O-N 3.11Å; K190-L192 VanDerWaalsContact C-N 3.26Å; K190-L192 PolarHBondContact O-N 3.2Å; K190-G193 PolarHBondContact O-N 2.92Å; K190-G193 VanDerWaalsContact O-N 3.15Å |
| 191 | E | 92.1 | Very high | 93.3 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.2 | -17.4 | -174 | -58 | -58.4 | 163.4 | 0 | 0 | 113.2 | F114 K118 R187 V188 | F114-E191 HydrophobicContact CD2-CB 4.31Å; F114-E191 HydrophobicContact CE2-CB 4.26Å; F114-E191 HydrophobicContact CE2-CG 4.02Å; K118-E191 WeakPolarHBondContact CE-OE1 3.41Å; K118-E191 WeakPolarHBondContact CE-OE2 3.27Å; K118-E191 HydrophobicContact CG-CG 4.21Å; K118-E191 IonicContact NZ-OE1 2.66Å; K118-E191 IonicContact NZ-OE2 2.81Å; K118-E191 PolarHBondContact NZ-OE2 3.27Å; R187-E191 HydrophobicContact CG-CG 3.91Å; R187-E191 VanDerWaalsContact O-CG 3.27Å; R187-E191 WeakPolarHBondContact O-CG 3.44Å; R187-E191 PolarHBondContact O-N 2.95Å; V188-E191 PolarHBondContact O-N 2.78Å |
| 192 | L | 90.8 | Very high | 93.1 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 5.2 | 171.2 | -59 | -177 | 0 | 0 | 0 | 113.1 | L110 R113 V188 K190 F194 C195 V196 | L110-L192 HydrophobicContact CD2-CD1 3.54Å; R113-L192 HydrophobicContact CB-CD1 4.41Å; R113-L192 HydrophobicContact CB-CD2 3.52Å; V188-L192 HydrophobicContact CG1-CD1 3.75Å; V188-L192 HydrophobicContact CG1-CG 4.4Å; V188-L192 WeakPolarHBondContact O-CB 3.34Å; V188-L192 VanDerWaalsContact O-CG 3.3Å; V188-L192 WeakPolarHBondContact O-CG 3.38Å; V188-L192 PolarHBondContact O-N 3.19Å; V188-L192 VanDerWaalsContact O-N 3.07Å; K190-L192 VanDerWaalsContact C-N 3.26Å; K190-L192 PolarHBondContact O-N 3.2Å; L192-F194 PolarHBondContact O-N 3.08Å; L192-F194 VanDerWaalsContact O-N 3.16Å; L192-C195 VanDerWaalsContact O-CB 3.32Å; L192-C195 WeakPolarHBondContact O-CB 3.4Å; L192-C195 PolarHBondContact O-N 3.03Å; L192-V196 HydrophobicContact CD1-CG1 4.43Å |
| 193 | G | 89.3 | Confident | 92.9 | Very high | 51 Ų | 51 | 66.3 Ų | 66.3 | 53% | 0.526 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 29.3 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | L189 K190 C195 | L189-G193 PolarHBondContact O-N 3.44Å; K190-G193 PolarHBondContact O-N 2.92Å; K190-G193 VanDerWaalsContact O-N 3.15Å; G193-C195 PolarHBondContact O-N 3.49Å; G193-C195 VanDerWaalsContact O-N 3.17Å |
| 194 | F | 89.8 | Confident | 92.8 | Very high | 151 Ų | 151 | 60.7 Ų | 60.7 | 66% | 0.662 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 7.2 | -167.9 | -62.5 | -97.5 | 0 | 0 | 0 | 116.1 | L189 L192 V196 | L189-F194 HydrophobicContact CB-CD1 4.35Å; L189-F194 HydrophobicContact CB-CE1 4.05Å; L189-F194 HydrophobicContact CB-CZ 4.34Å; L189-F194 HydrophobicContact CD1-CE1 4.46Å; L189-F194 HydrophobicContact CD2-CD1 3.8Å; L189-F194 HydrophobicContact CD2-CE1 4.04Å; L189-F194 HydrophobicContact CG-CE1 4.42Å; L189-F194 PolarHBondContact O-N 3.07Å; L192-F194 PolarHBondContact O-N 3.08Å; L192-F194 VanDerWaalsContact O-N 3.16Å; F194-V196 PolarHBondContact O-N 2.79Å |
| 195 | C | 89 | Confident | 92.7 | Very high | 42 Ų | 42 | 60.1 Ų | 60.1 | 28% | 0.284 | 28% | 0.282 | S | S | . | . | trans | -74.1 | 71.3 | 169.3 | -169.5 | 0 | 0 | 0 | 0 | 110.9 | R113 L192 G193 | R113-C195 PolarHBondContact NH1-O 3.28Å; L192-C195 VanDerWaalsContact O-CB 3.32Å; L192-C195 WeakPolarHBondContact O-CB 3.4Å; L192-C195 PolarHBondContact O-N 3.03Å; G193-C195 PolarHBondContact O-N 3.49Å; G193-C195 VanDerWaalsContact O-N 3.17Å | ||
| 196 | V | 90.1 | Very high | 92.6 | Very high | 22 Ų | 22 | 62.1 Ų | 62.1 | 13% | 0.133 | 30% | 0.295 | C | S | . | . | trans | -104.4 | -2 | -177 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | L110 L135 I139 L189 L192 F194 | L110-V196 HydrophobicContact CD2-CB 3.86Å; L110-V196 HydrophobicContact CD2-CG1 4Å; L135-V196 HydrophobicContact CD2-CG1 4.41Å; I139-V196 HydrophobicContact CD1-CB 3.69Å; I139-V196 HydrophobicContact CD1-CG2 3.62Å; I139-V196 HydrophobicContact CG1-CG2 4.1Å; L189-V196 HydrophobicContact CD2-CG1 3.94Å; L192-V196 HydrophobicContact CD1-CG1 4.43Å; F194-V196 PolarHBondContact O-N 2.79Å | ||
| 197 | H | 89.3 | Confident | 92.5 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 47% | 0.468 | 29% | 0.287 | S | S | . | . | trans | -67.2 | 145.4 | 170 | -174.4 | 70.2 | 0 | 0 | 0 | 110.5 | R113 | R113-H197 PolarHBondContact NH1-O 3.2Å; R113-H197 PolarHBondContact NH2-O 3.12Å | ||
| 198 | V | 89.9 | Confident | 92.5 | Very high | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | trans | -138.4 | 111.9 | 178.8 | -171.4 | 0 | 0 | 0 | 0 | 108.2 | T106 V109 H200 | T106-V198 HydrophobicContact CG2-CG2 4.04Å; V109-V198 HydrophobicContact CB-CG1 4.09Å; V109-V198 HydrophobicContact CB-CG2 4.25Å; V109-V198 HydrophobicContact CG1-CG1 3.95Å; V109-V198 HydrophobicContact CG1-CG2 4.06Å; V109-V198 HydrophobicContact CG2-CG1 4.06Å; V198-H200 WeakPolarHBondContact CG1-CE1 2.91Å; V198-H200 PolarHBondContact O-CD2 3.2Å; V198-H200 VanDerWaalsContact O-CD2 3.24Å | ||
| 199 | K | 90.9 | Very high | 92.4 | Very high | 79 Ų | 79 | 53.8 Ų | 53.8 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | trans | -70.3 | 132.3 | 164.1 | -70.9 | 171.6 | 179.7 | 168.5 | 0 | 107.6 | I54 D55 P242 | I54-K199 HydrophobicContact CG2-CD 4.26Å; I54-K199 HydrophobicContact CG2-CG 4.36Å; D55-K199 IonicContact OD1-NZ 2.62Å; D55-K199 PolarHBondContact OD1-NZ 2.97Å; K199-P242 HydrophobicContact CB-CG 3.69Å; K199-P242 HydrophobicContact CD-CG 4.39Å | ||
| 200 | H | 90.5 | Very high | 92.4 | Very high | 24 Ų | 24 | 57 Ų | 57 | 11% | 0.111 | 28% | 0.283 | C | S | . | . | trans | -116.5 | 133 | -174.1 | -77 | -69.6 | 0 | 0 | 0 | 113.1 | V102 A105 T106 V198 H202 | V102-H200 VanDerWaalsContact CG1-CD2 3.45Å; V102-H200 WeakPolarHBondContact CG1-CD2 3.47Å; A105-H200 WeakPolarHBondContact CB-CE1 3.37Å; T106-H200 PolarHBondContact N-CE1 3.03Å; T106-H200 PolarHBondContact OG1-NE2 2.98Å; V198-H200 WeakPolarHBondContact CG1-CE1 2.91Å; V198-H200 PolarHBondContact O-CD2 3.2Å; V198-H200 VanDerWaalsContact O-CD2 3.24Å; H200-H202 PolarHBondContact O-N 3.21Å; H200-H202 VanDerWaalsContact O-N 3.16Å | ||
| 201 | P | 93.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.3 | -14.8 | -178.8 | 26.8 | -35.1 | 0 | 0 | 0 | 114.3 | K203 I204 I205 M228 F237 P242 I245 A246 | P201-K203 VanDerWaalsContact C-N 3.28Å; P201-K203 PolarHBondContact O-N 3.24Å; P201-K203 VanDerWaalsContact O-N 3.16Å; P201-I204 PolarHBondContact O-N 3.09Å; P201-I205 HydrophobicContact CB-CD1 4.39Å; P201-I205 WeakPolarHBondContact O-CG1 3.44Å; P201-I205 PolarHBondContact O-N 3.18Å; P201-M228 HydrophobicContact CB-CG 4.12Å; P201-M228 HydrophobicContact CG-CG 3.49Å; P201-M228 VanDerWaalsContact CG-CG 3.49Å; P201-M228 HydrophobicContact CG-SD 4.16Å; P201-F237 HydrophobicContact CG-CE1 3.86Å; P201-F237 HydrophobicContact CG-CZ 3.65Å; P201-P242 HydrophobicContact CB-CB 4.38Å; P201-I245 HydrophobicContact CG-CG2 4.22Å; P201-A246 HydrophobicContact CB-CB 4.04Å |
| 202 | H | 93.3 | Very high | 92.4 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 4% | 0.037 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -47 | -46.1 | 179.5 | -60.2 | 75.8 | 0 | 0 | 0 | 113.5 | H200 W225 M228 N229 | H200-H202 PolarHBondContact O-N 3.21Å; H200-H202 VanDerWaalsContact O-N 3.16Å; H202-W225 HydrophobicContact CB-CE3 4.45Å; H202-W225 HydrophobicContact CB-CH2 3.8Å; H202-W225 HydrophobicContact CB-CZ2 4.49Å; H202-W225 HydrophobicContact CB-CZ3 3.77Å; H202-W225 AromaticContact CD2-CE2 3.89Å; H202-W225 AromaticContact CD2-CH2 3.83Å; H202-W225 AromaticContact CD2-CZ2 3.62Å; H202-W225 VanDerWaalsContact O-CZ3 3.31Å; H202-W225 WeakPolarHBondContact O-CZ3 3.28Å; H202-M228 HydrophobicContact CB-CE 4.38Å; H202-M228 WeakPolarHBondContact CD2-CE 3.29Å; H202-M228 PolarHBondContact CE1-SD 3.31Å; H202-M228 VanDerWaalsContact NE2-CE 3.33Å; H202-M228 WeakPolarHBondContact NE2-CE 3.35Å; H202-M228 PolarHBondContact NE2-SD 3.23Å; H202-N229 PolarHBondContact NE2-OD1 3.03Å; H202-N229 VanDerWaalsContact NE2-OD1 3.14Å |
| 203 | K | 93.3 | Very high | 92.5 | Very high | 182 Ų | 182 | 59.2 Ų | 59.2 | 79% | 0.791 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -77.9 | -34.7 | 178.3 | -68.9 | -177 | 178.5 | 178.9 | 0 | 112.6 | P201 V206 M207 | P201-K203 VanDerWaalsContact C-N 3.28Å; P201-K203 PolarHBondContact O-N 3.24Å; P201-K203 VanDerWaalsContact O-N 3.16Å; K203-V206 PolarHBondContact O-N 3.47Å; K203-M207 PolarHBondContact O-N 3.29Å |
| 204 | I | 94.6 | Very high | 92.6 | Very high | 21 Ų | 21 | 58 Ų | 58 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.3 | -42.4 | -177.4 | -50 | -179.3 | 0 | 0 | 0 | 110.2 | P201 V206 M207 Y208 P242 E243 A246 | P201-I204 PolarHBondContact O-N 3.09Å; I204-V206 VanDerWaalsContact C-N 3.31Å; I204-V206 PolarHBondContact O-N 3.48Å; I204-M207 HydrophobicContact CG2-CE 4.49Å; I204-M207 PolarHBondContact O-N 2.7Å; I204-Y208 HydrophobicContact CG2-CD1 4.09Å; I204-Y208 HydrophobicContact CG2-CD2 3.82Å; I204-Y208 HydrophobicContact CG2-CE1 3.66Å; I204-Y208 HydrophobicContact CG2-CE2 3.34Å; I204-Y208 HydrophobicContact CG2-CG 4.17Å; I204-Y208 WeakPolarHBondContact O-CB 3.47Å; I204-Y208 PolarHBondContact O-N 3.47Å; I204-P242 HydrophobicContact CD1-CB 3.96Å; I204-P242 HydrophobicContact CD1-CG 4.18Å; I204-E243 HydrophobicContact CD1-CG 4.17Å; I204-A246 HydrophobicContact CB-CB 3.87Å; I204-A246 HydrophobicContact CG2-CB 3.69Å |
| 205 | I | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.9 | -44.7 | 175.6 | -70.9 | 171.7 | 0 | 0 | 0 | 111.2 | P201 L209 A224 M228 A246 C249 I250 | P201-I205 HydrophobicContact CB-CD1 4.39Å; P201-I205 WeakPolarHBondContact O-CG1 3.44Å; P201-I205 PolarHBondContact O-N 3.18Å; I205-L209 HydrophobicContact CG2-CD1 3.97Å; I205-L209 WeakPolarHBondContact O-CB 3.29Å; I205-L209 VanDerWaalsContact O-CG 3.27Å; I205-L209 WeakPolarHBondContact O-CG 3.14Å; I205-L209 PolarHBondContact O-N 2.89Å; I205-L209 VanDerWaalsContact O-N 3.1Å; I205-A224 HydrophobicContact CG2-CB 3.86Å; I205-M228 HydrophobicContact CD1-CB 3.56Å; I205-M228 HydrophobicContact CD1-CE 4.34Å; I205-M228 HydrophobicContact CD1-CG 3.7Å; I205-A246 HydrophobicContact CG1-CB 3.63Å; I205-C249 HydrophobicContact CD1-CB 4.09Å; I205-I250 HydrophobicContact CG2-CD1 4.36Å; I205-I250 HydrophobicContact CG2-CG1 4.11Å |
| 206 | V | 94.5 | Very high | 92.7 | Very high | 60 Ų | 60 | 62.1 Ų | 62.1 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62 | -54.3 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | K203 I204 Y208 L209 Q210 W225 | K203-V206 PolarHBondContact O-N 3.47Å; I204-V206 VanDerWaalsContact C-N 3.31Å; I204-V206 PolarHBondContact O-N 3.48Å; V206-Y208 PolarHBondContact O-N 3.05Å; V206-L209 CarbonylContact O-C 3.59Å; V206-L209 PolarHBondContact O-N 3.25Å; V206-Q210 VanDerWaalsContact O-CG 3.28Å; V206-Q210 WeakPolarHBondContact O-CG 3.18Å; V206-Q210 PolarHBondContact O-N 2.74Å; V206-W225 HydrophobicContact CG2-CZ3 4.37Å |
| 207 | M | 95.2 | Very high | 92.9 | Very high | 96 Ų | 96 | 63.6 Ų | 63.6 | 47% | 0.473 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54.8 | -47.3 | -178.5 | -173.7 | -178.1 | 76.1 | 0 | 0 | 112.9 | K203 I204 L209 Q210 V211 | K203-M207 PolarHBondContact O-N 3.29Å; I204-M207 HydrophobicContact CG2-CE 4.49Å; I204-M207 PolarHBondContact O-N 2.7Å; M207-L209 VanDerWaalsContact C-N 3.34Å; M207-L209 PolarHBondContact O-N 3.26Å; M207-Q210 WeakPolarHBondContact O-CB 3.23Å; M207-Q210 PolarHBondContact O-N 3.02Å; M207-Q210 VanDerWaalsContact O-N 3.12Å; M207-V211 PolarHBondContact O-N 2.98Å; M207-V211 VanDerWaalsContact O-N 3.12Å |
| 208 | Y | 95.8 | Very high | 93.1 | Very high | 12 Ų | 12 | 65.1 Ų | 65.1 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 177.1 | -67.7 | -9.6 | 0 | 0 | 0 | 111.9 | I204 V206 Q210 V211 L212 E243 A246 C247 I250 F271 | I204-Y208 HydrophobicContact CG2-CD1 4.09Å; I204-Y208 HydrophobicContact CG2-CD2 3.82Å; I204-Y208 HydrophobicContact CG2-CE1 3.66Å; I204-Y208 HydrophobicContact CG2-CE2 3.34Å; I204-Y208 HydrophobicContact CG2-CG 4.17Å; I204-Y208 WeakPolarHBondContact O-CB 3.47Å; I204-Y208 PolarHBondContact O-N 3.47Å; V206-Y208 PolarHBondContact O-N 3.05Å; Y208-Q210 VanDerWaalsContact C-N 3.27Å; Y208-Q210 PolarHBondContact O-N 2.91Å; Y208-V211 PolarHBondContact O-N 3.41Å; Y208-L212 VanDerWaalsContact O-CG 3.27Å; Y208-L212 WeakPolarHBondContact O-CG 3.34Å; Y208-L212 PolarHBondContact O-N 2.71Å; Y208-E243 WeakPolarHBondContact OH-CB 3.18Å; Y208-E243 WeakPolarHBondContact OH-CG 3.35Å; Y208-A246 HydrophobicContact CD2-CB 4.08Å; Y208-A246 HydrophobicContact CE2-CB 3.99Å; Y208-C247 WeakPolarHBondContact CE2-SG 3.23Å; Y208-I250 HydrophobicContact CD2-CD1 4.27Å; Y208-F271 AromaticContact CD1-CD1 3.75Å; Y208-F271 HydrophobicContact CD1-CD1 3.75Å; Y208-F271 HydrophobicContact CD1-CD2 4.04Å; Y208-F271 AromaticContact CD1-CE1 3.47Å; Y208-F271 HydrophobicContact CD1-CE1 3.47Å; Y208-F271 VanDerWaalsContact CD1-CE1 3.47Å; Y208-F271 AromaticContact CD1-CE2 3.77Å; Y208-F271 HydrophobicContact CD1-CE2 3.77Å; Y208-F271 HydrophobicContact CD1-CG 4.04Å; Y208-F271 AromaticContact CD1-CZ 3.48Å; Y208-F271 HydrophobicContact CD1-CZ 3.48Å; Y208-F271 VanDerWaalsContact CD1-CZ 3.48Å; Y208-F271 AromaticContact CD2-CD2 3.81Å; Y208-F271 HydrophobicContact CD2-CD2 3.81Å; Y208-F271 AromaticContact CD2-CE2 3.95Å; Y208-F271 HydrophobicContact CD2-CE2 3.95Å; Y208-F271 HydrophobicContact CD2-CG 4.24Å; Y208-F271 HydrophobicContact CE1-CB 4.33Å; Y208-F271 AromaticContact CE1-CD1 3.36Å; Y208-F271 HydrophobicContact CE1-CD1 3.36Å; Y208-F271 HydrophobicContact CE1-CD2 4.1Å; Y208-F271 AromaticContact CE1-CE1 3.57Å; Y208-F271 HydrophobicContact CE1-CE1 3.57Å; Y208-F271 HydrophobicContact CE1-CE2 4.27Å; Y208-F271 AromaticContact CE1-CG 3.66Å; Y208-F271 HydrophobicContact CE1-CG 3.66Å; Y208-F271 HydrophobicContact CE1-CZ 4.02Å; Y208-F271 HydrophobicContact CE2-CB 4.11Å; Y208-F271 HydrophobicContact CE2-CD1 4.45Å; Y208-F271 AromaticContact CE2-CD2 3.88Å; Y208-F271 HydrophobicContact CE2-CD2 3.88Å; Y208-F271 HydrophobicContact CE2-CE2 4.43Å; Y208-F271 AromaticContact CE2-CG 3.89Å; Y208-F271 HydrophobicContact CE2-CG 3.89Å; Y208-F271 HydrophobicContact CG-CD1 4.44Å; Y208-F271 AromaticContact CG-CD2 3.9Å; Y208-F271 HydrophobicContact CG-CD2 3.9Å; Y208-F271 HydrophobicContact CG-CE1 4.19Å; Y208-F271 AromaticContact CG-CE2 3.59Å; Y208-F271 HydrophobicContact CG-CE2 3.59Å; Y208-F271 HydrophobicContact CG-CG 4.31Å; Y208-F271 AromaticContact CG-CZ 3.76Å; Y208-F271 HydrophobicContact CG-CZ 3.76Å; Y208-F271 AromaticContact CZ-CD1 3.77Å; Y208-F271 AromaticContact CZ-CG 3.58Å |
| 209 | L | 94.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.8 | -22.7 | 173.9 | -70.5 | 171 | 0 | 0 | 0 | 113.2 | I205 V206 M207 L212 E213 C214 E215 L220 V221 I250 | I205-L209 HydrophobicContact CG2-CD1 3.97Å; I205-L209 WeakPolarHBondContact O-CB 3.29Å; I205-L209 VanDerWaalsContact O-CG 3.27Å; I205-L209 WeakPolarHBondContact O-CG 3.14Å; I205-L209 PolarHBondContact O-N 2.89Å; I205-L209 VanDerWaalsContact O-N 3.1Å; V206-L209 CarbonylContact O-C 3.59Å; V206-L209 PolarHBondContact O-N 3.25Å; M207-L209 VanDerWaalsContact C-N 3.34Å; M207-L209 PolarHBondContact O-N 3.26Å; L209-L212 HydrophobicContact CD2-CD1 4.5Å; L209-E213 PolarHBondContact O-N 2.98Å; L209-C214 HydrophobicContact CD2-CB 3.85Å; L209-C214 CarbonylContact O-C 3.54Å; L209-C214 WeakPolarHBondContact O-CA 3.44Å; L209-C214 PolarHBondContact O-N 2.89Å; L209-E215 PolarHBondContact O-N 2.84Å; L209-L220 HydrophobicContact CD2-CD2 3.8Å; L209-L220 HydrophobicContact CD2-CG 4.05Å; L209-V221 HydrophobicContact CD1-CB 4.24Å; L209-V221 HydrophobicContact CD1-CG2 3.75Å; L209-I250 HydrophobicContact CD1-CG1 4.35Å; L209-I250 HydrophobicContact CD2-CD1 4.26Å; L209-I250 HydrophobicContact CD2-CG1 4.2Å; L209-I250 HydrophobicContact CD2-CG2 3.91Å; L209-I250 HydrophobicContact CG-CD1 3.92Å; L209-I250 HydrophobicContact CG-CG1 4.11Å |
| 210 | Q | 94.4 | Very high | 93.7 | Very high | 102 Ų | 102 | 65.3 Ų | 65.3 | 48% | 0.477 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.3 | -45.1 | 168.3 | -46.6 | -162.9 | -95.6 | 0 | 0 | 111.2 | V206 M207 Y208 L212 E213 E215 | V206-Q210 VanDerWaalsContact O-CG 3.28Å; V206-Q210 WeakPolarHBondContact O-CG 3.18Å; V206-Q210 PolarHBondContact O-N 2.74Å; M207-Q210 WeakPolarHBondContact O-CB 3.23Å; M207-Q210 PolarHBondContact O-N 3.02Å; M207-Q210 VanDerWaalsContact O-N 3.12Å; Y208-Q210 VanDerWaalsContact C-N 3.27Å; Y208-Q210 PolarHBondContact O-N 2.91Å; Q210-L212 PolarHBondContact O-N 3.28Å; Q210-E213 WeakPolarHBondContact O-CA 3.38Å; Q210-E213 PolarHBondContact O-N 3.25Å; Q210-E215 HydrophobicContact CG-CB 4.2Å; Q210-E215 WeakPolarHBondContact CG-OE2 3.34Å; Q210-E215 PolarHBondContact NE2-OE2 3.08Å |
| 211 | V | 93.8 | Very high | 94 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -30.6 | 177.6 | 175.2 | 0 | 0 | 0 | 0 | 112.2 | M207 Y208 E213 L270 F271 | M207-V211 PolarHBondContact O-N 2.98Å; M207-V211 VanDerWaalsContact O-N 3.12Å; Y208-V211 PolarHBondContact O-N 3.41Å; V211-E213 VanDerWaalsContact C-N 3.28Å; V211-L270 HydrophobicContact CG1-CD2 3.89Å; V211-F271 HydrophobicContact CB-CZ 4.18Å; V211-F271 HydrophobicContact CG1-CE1 4.37Å; V211-F271 HydrophobicContact CG1-CZ 3.95Å |
| 212 | L | 92.8 | Very high | 94.1 | Very high | 30 Ų | 30 | 70.2 Ų | 70.2 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 7.4 | 173.5 | -62.4 | 171.5 | 0 | 0 | 0 | 113.6 | Y208 L209 Q210 C214 I250 W267 | Y208-L212 VanDerWaalsContact O-CG 3.27Å; Y208-L212 WeakPolarHBondContact O-CG 3.34Å; Y208-L212 PolarHBondContact O-N 2.71Å; L209-L212 HydrophobicContact CD2-CD1 4.5Å; Q210-L212 PolarHBondContact O-N 3.28Å; L212-C214 HydrophobicContact CB-CB 4.29Å; L212-C214 PolarHBondContact O-N 2.97Å; L212-C214 PolarHBondContact O-SG 3.25Å; L212-I250 HydrophobicContact CD1-CG2 4.23Å; L212-W267 HydrophobicContact CD1-CD2 4.04Å; L212-W267 HydrophobicContact CD1-CE3 3.77Å; L212-W267 HydrophobicContact CD1-CH2 4.44Å; L212-W267 HydrophobicContact CD1-CZ3 3.99Å; L212-W267 HydrophobicContact CD2-CB 3.79Å; L212-W267 HydrophobicContact CD2-CD2 4.12Å; L212-W267 HydrophobicContact CD2-CE3 4.05Å; L212-W267 HydrophobicContact CD2-CG 4.04Å; L212-W267 HydrophobicContact CG-CE3 4.41Å |
| 213 | E | 93.1 | Very high | 94.3 | Very high | 172 Ų | 172 | 71.3 Ų | 71.3 | 80% | 0.804 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 11.5 | -174.1 | -54.4 | -167.6 | 153.5 | 0 | 0 | 115.2 | L209 Q210 V211 | L209-E213 PolarHBondContact O-N 2.98Å; Q210-E213 WeakPolarHBondContact O-CA 3.38Å; Q210-E213 PolarHBondContact O-N 3.25Å; V211-E213 VanDerWaalsContact C-N 3.28Å |
| 214 | C | 90.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 62.7 Ų | 62.7 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | trans | -90.1 | -4.6 | -173.5 | -76 | 0 | 0 | 0 | 0 | 114.1 | L209 L212 R216 N217 L220 | L209-C214 HydrophobicContact CD2-CB 3.85Å; L209-C214 CarbonylContact O-C 3.54Å; L209-C214 WeakPolarHBondContact O-CA 3.44Å; L209-C214 PolarHBondContact O-N 2.89Å; L212-C214 HydrophobicContact CB-CB 4.29Å; L212-C214 PolarHBondContact O-N 2.97Å; L212-C214 PolarHBondContact O-SG 3.25Å; C214-R216 PolarHBondContact O-N 3.16Å; C214-N217 VanDerWaalsContact O-CB 3.31Å; C214-N217 WeakPolarHBondContact O-CB 3.47Å; C214-N217 PolarHBondContact O-N 3.45Å; C214-L220 HydrophobicContact CB-CD2 3.96Å | ||
| 215 | E | 89.6 | Confident | 94.6 | Very high | 69 Ų | 69 | 65.6 Ų | 65.6 | 32% | 0.322 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -30.8 | -179 | 50 | 155.6 | -132.3 | 0 | 0 | 114.8 | L209 Q210 N217 Q218 | L209-E215 PolarHBondContact O-N 2.84Å; Q210-E215 HydrophobicContact CG-CB 4.2Å; Q210-E215 WeakPolarHBondContact CG-OE2 3.34Å; Q210-E215 PolarHBondContact NE2-OE2 3.08Å; E215-N217 VanDerWaalsContact C-N 3.27Å; E215-N217 PolarHBondContact O-N 2.9Å; E215-Q218 PolarHBondContact O-NE2 3.12Å |
| 216 | R | 91.4 | Very high | 94.6 | Very high | 211 Ų | 211 | 69.4 Ų | 69.4 | 80% | 0.796 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -21.3 | 178.6 | -60.5 | 179.9 | -171.1 | 162.3 | 5.4 | 112.5 | C214 Q218 | C214-R216 PolarHBondContact O-N 3.16Å; R216-Q218 VanDerWaalsContact C-N 3.35Å; R216-Q218 PolarHBondContact O-N 2.77Å |
| 217 | N | 93.7 | Very high | 94.7 | Very high | 53 Ų | 53 | 68.4 Ų | 68.4 | 28% | 0.283 | 33% | 0.33 | S | S | . | . | trans | -79.5 | 81.2 | 177.5 | -170.3 | -30.1 | 0 | 0 | 0 | 110.5 | C214 E215 T219 L220 V221 I259 | C214-N217 VanDerWaalsContact O-CB 3.31Å; C214-N217 WeakPolarHBondContact O-CB 3.47Å; C214-N217 PolarHBondContact O-N 3.45Å; E215-N217 VanDerWaalsContact C-N 3.27Å; E215-N217 PolarHBondContact O-N 2.9Å; N217-T219 PolarHBondContact O-N 3.45Å; N217-T219 PolarHBondContact OD1-N 3.35Å; N217-T219 PolarHBondContact OD1-OG1 3.11Å; N217-L220 HydrophobicContact CB-CB 4.03Å; N217-L220 WeakPolarHBondContact O-CB 3.29Å; N217-L220 PolarHBondContact O-N 2.98Å; N217-L220 WeakPolarHBondContact OD1-CB 3.41Å; N217-L220 PolarHBondContact OD1-N 3.07Å; N217-V221 WeakPolarHBondContact O-CG2 3.34Å; N217-V221 PolarHBondContact O-N 3.35Å; N217-I259 VanDerWaalsContact ND2-CD1 3.34Å; N217-I259 WeakPolarHBondContact ND2-CD1 3.4Å | ||
| 218 | Q | 94.8 | Very high | 94.8 | Very high | 132 Ų | 132 | 63.9 Ų | 63.9 | 62% | 0.617 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -57.5 | -31.3 | -177.6 | -63.6 | -61 | -66.3 | 0 | 0 | 113.3 | E215 R216 Q222 | E215-Q218 PolarHBondContact O-NE2 3.12Å; R216-Q218 VanDerWaalsContact C-N 3.35Å; R216-Q218 PolarHBondContact O-N 2.77Å; Q218-Q222 VanDerWaalsContact O-CB 3.25Å; Q218-Q222 WeakPolarHBondContact O-CB 3.32Å; Q218-Q222 PolarHBondContact O-N 3.33Å |
| 219 | T | 96.4 | Very high | 94.7 | Very high | 93 Ų | 93 | 64.6 Ų | 64.6 | 57% | 0.571 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.9 | -38.7 | 174.5 | 37.8 | 0 | 0 | 0 | 0 | 112.8 | N217 T223 | N217-T219 PolarHBondContact O-N 3.45Å; N217-T219 PolarHBondContact OD1-N 3.35Å; N217-T219 PolarHBondContact OD1-OG1 3.11Å; T219-T223 WeakPolarHBondContact O-CB 3.5Å; T219-T223 PolarHBondContact O-N 2.81Å; T219-T223 PolarHBondContact O-OG1 3.49Å |
| 220 | L | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.9 | -47.9 | 173.2 | 176.3 | 57.7 | 0 | 0 | 0 | 111.2 | L209 C214 N217 Q222 T223 A224 A253 A254 L257 I259 | L209-L220 HydrophobicContact CD2-CD2 3.8Å; L209-L220 HydrophobicContact CD2-CG 4.05Å; C214-L220 HydrophobicContact CB-CD2 3.96Å; N217-L220 HydrophobicContact CB-CB 4.03Å; N217-L220 WeakPolarHBondContact O-CB 3.29Å; N217-L220 PolarHBondContact O-N 2.98Å; N217-L220 WeakPolarHBondContact OD1-CB 3.41Å; N217-L220 PolarHBondContact OD1-N 3.07Å; L220-Q222 PolarHBondContact O-N 3.24Å; L220-T223 PolarHBondContact O-N 2.91Å; L220-A224 WeakPolarHBondContact O-CB 3.46Å; L220-A224 PolarHBondContact O-N 3.19Å; L220-A253 HydrophobicContact CD1-CB 3.65Å; L220-A254 HydrophobicContact CD1-CB 4.21Å; L220-L257 HydrophobicContact CB-CD1 4.13Å; L220-L257 HydrophobicContact CD1-CD1 4.28Å; L220-I259 HydrophobicContact CB-CD1 3.88Å; L220-I259 HydrophobicContact CD1-CD1 4.21Å; L220-I259 HydrophobicContact CD2-CD1 3.99Å; L220-I259 HydrophobicContact CG-CD1 4.25Å |
| 221 | V | 96.1 | Very high | 94.8 | Very high | 25 Ų | 25 | 61.2 Ų | 61.2 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.1 | -52.1 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | L209 N217 T223 A224 W225 | L209-V221 HydrophobicContact CD1-CB 4.24Å; L209-V221 HydrophobicContact CD1-CG2 3.75Å; N217-V221 WeakPolarHBondContact O-CG2 3.34Å; N217-V221 PolarHBondContact O-N 3.35Å; V221-T223 VanDerWaalsContact C-N 3.35Å; V221-T223 PolarHBondContact O-N 3.36Å; V221-A224 PolarHBondContact O-N 3.42Å; V221-W225 VanDerWaalsContact O-CB 3.27Å; V221-W225 WeakPolarHBondContact O-CB 3.15Å; V221-W225 PolarHBondContact O-N 2.69Å |
| 222 | Q | 96.4 | Very high | 94.9 | Very high | 102 Ų | 102 | 57.3 Ų | 57.3 | 48% | 0.477 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.9 | -35.3 | -179.5 | -173.7 | 62.2 | 73.6 | 0 | 0 | 112.5 | Q218 L220 N226 | Q218-Q222 VanDerWaalsContact O-CB 3.25Å; Q218-Q222 WeakPolarHBondContact O-CB 3.32Å; Q218-Q222 PolarHBondContact O-N 3.33Å; L220-Q222 PolarHBondContact O-N 3.24Å; Q222-N226 PolarHBondContact NE2-OD1 3.24Å; Q222-N226 WeakPolarHBondContact O-CB 3.25Å; Q222-N226 PolarHBondContact O-N 3Å; Q222-N226 PolarHBondContact O-ND2 2.9Å; Q222-N226 PolarHBondContact O-OD1 3.4Å |
| 223 | T | 97 | Very high | 94.9 | Very high | 31 Ų | 31 | 59.3 Ų | 59.3 | 19% | 0.19 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.5 | -43.2 | 179.5 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | T219 L220 V221 W225 N226 Y227 A253 L257 | T219-T223 WeakPolarHBondContact O-CB 3.5Å; T219-T223 PolarHBondContact O-N 2.81Å; T219-T223 PolarHBondContact O-OG1 3.49Å; L220-T223 PolarHBondContact O-N 2.91Å; V221-T223 VanDerWaalsContact C-N 3.35Å; V221-T223 PolarHBondContact O-N 3.36Å; T223-W225 VanDerWaalsContact C-N 3.32Å; T223-W225 PolarHBondContact O-N 2.89Å; T223-N226 PolarHBondContact O-N 2.89Å; T223-Y227 HydrophobicContact CG2-CD2 3.95Å; T223-Y227 HydrophobicContact CG2-CE2 3.54Å; T223-Y227 WeakPolarHBondContact O-CD2 3.41Å; T223-Y227 PolarHBondContact O-N 3.43Å; T223-A253 HydrophobicContact CG2-CB 3.72Å; T223-L257 HydrophobicContact CG2-CD1 4.45Å |
| 224 | A | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I205 L220 V221 N226 Y227 M228 I250 A253 | I205-A224 HydrophobicContact CG2-CB 3.86Å; L220-A224 WeakPolarHBondContact O-CB 3.46Å; L220-A224 PolarHBondContact O-N 3.19Å; V221-A224 PolarHBondContact O-N 3.42Å; A224-N226 VanDerWaalsContact C-N 3.34Å; A224-N226 PolarHBondContact O-N 3.15Å; A224-Y227 PolarHBondContact O-N 2.9Å; A224-M228 WeakPolarHBondContact O-CB 3.47Å; A224-M228 PolarHBondContact O-N 3.28Å; A224-M228 VanDerWaalsContact O-N 3.07Å; A224-I250 HydrophobicContact CB-CG1 4.13Å; A224-A253 HydrophobicContact CB-CB 3.83Å |
| 225 | W | 96 | Very high | 95.1 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.6 | -37.7 | 174.1 | -171.3 | -82.8 | 0 | 0 | 0 | 112.3 | H202 V206 V221 T223 M228 N229 | H202-W225 HydrophobicContact CB-CE3 4.45Å; H202-W225 HydrophobicContact CB-CH2 3.8Å; H202-W225 HydrophobicContact CB-CZ2 4.49Å; H202-W225 HydrophobicContact CB-CZ3 3.77Å; H202-W225 AromaticContact CD2-CE2 3.89Å; H202-W225 AromaticContact CD2-CH2 3.83Å; H202-W225 AromaticContact CD2-CZ2 3.62Å; H202-W225 VanDerWaalsContact O-CZ3 3.31Å; H202-W225 WeakPolarHBondContact O-CZ3 3.28Å; V206-W225 HydrophobicContact CG2-CZ3 4.37Å; V221-W225 VanDerWaalsContact O-CB 3.27Å; V221-W225 WeakPolarHBondContact O-CB 3.15Å; V221-W225 PolarHBondContact O-N 2.69Å; T223-W225 VanDerWaalsContact C-N 3.32Å; T223-W225 PolarHBondContact O-N 2.89Å; W225-M228 HydrophobicContact CB-CE 4.44Å; W225-M228 HydrophobicContact CD2-CE 3.85Å; W225-M228 HydrophobicContact CE3-CE 4.2Å; W225-M228 HydrophobicContact CG-CE 3.93Å; W225-M228 WeakPolarHBondContact O-CE 3.43Å; W225-N229 PolarHBondContact NE1-ND2 3.41Å; W225-N229 VanDerWaalsContact NE1-ND2 3.19Å; W225-N229 PolarHBondContact O-N 3.48Å; W225-N229 VanDerWaalsContact O-N 3.09Å; W225-N229 PolarHBondContact O-ND2 2.97Å |
| 226 | N | 96.2 | Very high | 95.3 | Very high | 79 Ų | 79 | 48.6 Ų | 48.6 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.8 | -49.4 | 176.5 | -70.3 | -11.4 | 0 | 0 | 0 | 111.8 | Q222 T223 A224 M228 N229 D230 | Q222-N226 PolarHBondContact NE2-OD1 3.24Å; Q222-N226 WeakPolarHBondContact O-CB 3.25Å; Q222-N226 PolarHBondContact O-N 3Å; Q222-N226 PolarHBondContact O-ND2 2.9Å; Q222-N226 PolarHBondContact O-OD1 3.4Å; T223-N226 PolarHBondContact O-N 2.89Å; A224-N226 VanDerWaalsContact C-N 3.34Å; A224-N226 PolarHBondContact O-N 3.15Å; N226-M228 VanDerWaalsContact C-N 3.26Å; N226-M228 PolarHBondContact O-N 3.28Å; N226-N229 PolarHBondContact O-N 2.96Å; N226-N229 VanDerWaalsContact O-N 3.11Å; N226-D230 PolarHBondContact O-N 3.01Å |
| 227 | Y | 97 | Very high | 95.4 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 16% | 0.157 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -38.2 | 177.4 | -74.5 | -51.9 | 0 | 0 | 0 | 112.6 | T223 A224 D230 S231 L252 A253 A256 T285 Y289 | T223-Y227 HydrophobicContact CG2-CD2 3.95Å; T223-Y227 HydrophobicContact CG2-CE2 3.54Å; T223-Y227 WeakPolarHBondContact O-CD2 3.41Å; T223-Y227 PolarHBondContact O-N 3.43Å; A224-Y227 PolarHBondContact O-N 2.9Å; Y227-D230 PolarHBondContact O-N 3.25Å; Y227-S231 WeakPolarHBondContact O-CB 3.35Å; Y227-S231 PolarHBondContact O-N 2.87Å; Y227-L252 HydrophobicContact CD1-CD2 3.67Å; Y227-L252 HydrophobicContact CD1-CG 4.33Å; Y227-L252 HydrophobicContact CD2-CB 4.18Å; Y227-L252 HydrophobicContact CD2-CD2 3.97Å; Y227-L252 HydrophobicContact CD2-CG 3.87Å; Y227-L252 HydrophobicContact CE1-CD2 3.89Å; Y227-L252 HydrophobicContact CE1-CG 4.25Å; Y227-L252 HydrophobicContact CE2-CB 4.36Å; Y227-L252 HydrophobicContact CE2-CD2 4.15Å; Y227-L252 HydrophobicContact CE2-CG 3.74Å; Y227-L252 HydrophobicContact CG-CD2 3.74Å; Y227-L252 HydrophobicContact CG-CG 4.18Å; Y227-A253 HydrophobicContact CD2-CB 4.14Å; Y227-A253 HydrophobicContact CE2-CB 4.33Å; Y227-A256 HydrophobicContact CE2-CB 4.31Å; Y227-T285 HydrophobicContact CD1-CG2 4.19Å; Y227-Y289 HydrophobicContact CD1-CE2 4.17Å; Y227-Y289 WeakPolarHBondContact CD1-OH 3.23Å; Y227-Y289 AromaticContact CE1-CE2 3.87Å; Y227-Y289 HydrophobicContact CE1-CE2 3.87Å |
| 228 | M | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.9 | -37.6 | 175.5 | 168 | -77.3 | -61.5 | 0 | 0 | 113.1 | P201 H202 I205 A224 W225 N226 D230 S231 L232 C249 | P201-M228 HydrophobicContact CB-CG 4.12Å; P201-M228 HydrophobicContact CG-CG 3.49Å; P201-M228 VanDerWaalsContact CG-CG 3.49Å; P201-M228 HydrophobicContact CG-SD 4.16Å; H202-M228 HydrophobicContact CB-CE 4.38Å; H202-M228 WeakPolarHBondContact CD2-CE 3.29Å; H202-M228 PolarHBondContact CE1-SD 3.31Å; H202-M228 VanDerWaalsContact NE2-CE 3.33Å; H202-M228 WeakPolarHBondContact NE2-CE 3.35Å; H202-M228 PolarHBondContact NE2-SD 3.23Å; I205-M228 HydrophobicContact CD1-CB 3.56Å; I205-M228 HydrophobicContact CD1-CE 4.34Å; I205-M228 HydrophobicContact CD1-CG 3.7Å; A224-M228 WeakPolarHBondContact O-CB 3.47Å; A224-M228 PolarHBondContact O-N 3.28Å; A224-M228 VanDerWaalsContact O-N 3.07Å; W225-M228 HydrophobicContact CB-CE 4.44Å; W225-M228 HydrophobicContact CD2-CE 3.85Å; W225-M228 HydrophobicContact CE3-CE 4.2Å; W225-M228 HydrophobicContact CG-CE 3.93Å; W225-M228 WeakPolarHBondContact O-CE 3.43Å; N226-M228 VanDerWaalsContact C-N 3.26Å; N226-M228 PolarHBondContact O-N 3.28Å; M228-D230 VanDerWaalsContact C-N 3.32Å; M228-S231 PolarHBondContact O-N 3.24Å; M228-S231 PolarHBondContact O-OG 2.93Å; M228-S231 VanDerWaalsContact O-OG 3.12Å; M228-L232 PolarHBondContact O-N 3.41Å; M228-C249 HydrophobicContact CB-CB 4.09Å |
| 229 | N | 95.4 | Very high | 95.1 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 15% | 0.15 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.3 | -25.4 | 175 | -69.8 | -66.4 | 0 | 0 | 0 | 112.6 | Q101 H202 W225 N226 | Q101-N229 WeakPolarHBondContact CG-OD1 3.45Å; Q101-N229 PolarHBondContact NE2-OD1 2.88Å; H202-N229 PolarHBondContact NE2-OD1 3.03Å; H202-N229 VanDerWaalsContact NE2-OD1 3.14Å; W225-N229 PolarHBondContact NE1-ND2 3.41Å; W225-N229 VanDerWaalsContact NE1-ND2 3.19Å; W225-N229 PolarHBondContact O-N 3.48Å; W225-N229 VanDerWaalsContact O-N 3.09Å; W225-N229 PolarHBondContact O-ND2 2.97Å; N226-N229 PolarHBondContact O-N 2.96Å; N226-N229 VanDerWaalsContact O-N 3.11Å |
| 230 | D | 94.9 | Very high | 94.9 | Very high | 31 Ų | 31 | 28.7 Ų | 28.7 | 17% | 0.166 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -76.9 | -38.6 | 171.3 | -80.2 | -23.2 | 0 | 0 | 0 | 111.9 | N226 Y227 M228 L232 R233 L288 Y289 | N226-D230 PolarHBondContact O-N 3.01Å; Y227-D230 PolarHBondContact O-N 3.25Å; M228-D230 VanDerWaalsContact C-N 3.32Å; D230-L232 PolarHBondContact O-N 2.97Å; D230-R233 WeakPolarHBondContact O-CB 3.45Å; D230-R233 WeakPolarHBondContact O-CG 3.4Å; D230-R233 PolarHBondContact O-N 2.79Å; D230-R233 IonicContact OD1-CZ 3.16Å; D230-R233 IonicContact OD1-NE 2.72Å; D230-R233 IonicContact OD1-NH2 3.41Å; D230-R233 PolarHBondContact OD1-NH2 2.84Å; D230-L288 HydrophobicContact CB-CD1 4.34Å; D230-L288 WeakPolarHBondContact O-CD1 3.24Å; D230-Y289 WeakPolarHBondContact OD2-CE1 3.4Å; D230-Y289 PolarHBondContact OD2-OH 2.62Å |
| 231 | S | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66 | -19.1 | 179.5 | 74.8 | 0 | 0 | 0 | 0 | 113.7 | Y227 M228 R233 T234 T285 | Y227-S231 WeakPolarHBondContact O-CB 3.35Å; Y227-S231 PolarHBondContact O-N 2.87Å; M228-S231 PolarHBondContact O-N 3.24Å; M228-S231 PolarHBondContact O-OG 2.93Å; M228-S231 VanDerWaalsContact O-OG 3.12Å; S231-R233 PolarHBondContact O-N 3.26Å; S231-R233 VanDerWaalsContact O-N 3.09Å; S231-T234 WeakPolarHBondContact O-CB 3.42Å; S231-T234 PolarHBondContact O-N 3.46Å; S231-T234 PolarHBondContact O-OG1 3.47Å; S231-T285 WeakPolarHBondContact CB-OG1 3.39Å |
| 232 | L | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -17.9 | 165 | -73.9 | 164.9 | 0 | 0 | 0 | 114 | A105 V109 H112 M228 D230 F237 | A105-L232 HydrophobicContact CB-CD1 3.63Å; A105-L232 HydrophobicContact CB-CD2 3.91Å; A105-L232 HydrophobicContact CB-CG 4.47Å; V109-L232 HydrophobicContact CG2-CD2 3.94Å; H112-L232 PolarHBondContact NE2-O 3.08Å; M228-L232 PolarHBondContact O-N 3.41Å; D230-L232 PolarHBondContact O-N 2.97Å; L232-F237 HydrophobicContact CB-CE2 4.32Å; L232-F237 HydrophobicContact CD2-CD1 3.98Å; L232-F237 HydrophobicContact CD2-CD2 3.83Å; L232-F237 HydrophobicContact CD2-CE1 3.65Å; L232-F237 HydrophobicContact CD2-CE2 3.5Å; L232-F237 HydrophobicContact CD2-CG 4.05Å; L232-F237 HydrophobicContact CD2-CZ 3.4Å; L232-F237 HydrophobicContact CG-CD2 4.28Å; L232-F237 HydrophobicContact CG-CE2 3.65Å; L232-F237 HydrophobicContact CG-CZ 3.77Å |
| 233 | R | 94.1 | Very high | 94.5 | Very high | 72 Ų | 72 | 28.7 Ų | 28.7 | 27% | 0.272 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -12.7 | 174.3 | -50.3 | -175.5 | -138.9 | -167.8 | 8.3 | 113.3 | I84 C87 E88 D230 S231 L288 | I84-R233 HydrophobicContact CG1-CB 4.46Å; C87-R233 HydrophobicContact CB-CB 4.46Å; C87-R233 HydrophobicContact CB-CG 4.18Å; E88-R233 IonicContact OE1-NH1 2.74Å; E88-R233 PolarHBondContact OE1-NH1 2.68Å; D230-R233 WeakPolarHBondContact O-CB 3.45Å; D230-R233 WeakPolarHBondContact O-CG 3.4Å; D230-R233 PolarHBondContact O-N 2.79Å; D230-R233 IonicContact OD1-CZ 3.16Å; D230-R233 IonicContact OD1-NE 2.72Å; D230-R233 IonicContact OD1-NH2 3.41Å; D230-R233 PolarHBondContact OD1-NH2 2.84Å; S231-R233 PolarHBondContact O-N 3.26Å; S231-R233 VanDerWaalsContact O-N 3.09Å; R233-L288 HydrophobicContact CB-CD1 4.09Å; R233-L288 HydrophobicContact CB-CD2 4.36Å |
| 234 | T | 94.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 6% | 0.055 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -90.9 | -176.4 | 173.8 | 74.4 | 0 | 0 | 0 | 0 | 111.4 | H112 S231 V236 E284 L288 | H112-T234 PolarHBondContact CE1-O 3.4Å; H112-T234 PolarHBondContact NE2-O 3.36Å; S231-T234 WeakPolarHBondContact O-CB 3.42Å; S231-T234 PolarHBondContact O-N 3.46Å; S231-T234 PolarHBondContact O-OG1 3.47Å; T234-V236 WeakPolarHBondContact OG1-CG1 3.29Å; T234-V236 WeakPolarHBondContact OG1-CG2 3.19Å; T234-V236 PolarHBondContact OG1-N 3.47Å; T234-E284 HydrophobicContact CG2-CB 4.38Å; T234-E284 WeakPolarHBondContact CG2-O 3.39Å; T234-L288 HydrophobicContact CG2-CD1 3.66Å; T234-L288 HydrophobicContact CG2-CD2 3.97Å; T234-L288 HydrophobicContact CG2-CG 3.69Å |
| 235 | N | 92.6 | Very high | 94.4 | Very high | 31 Ų | 31 | 27.7 Ų | 27.7 | 17% | 0.166 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -87.5 | -0.2 | 174.9 | 65.9 | -5.1 | 0 | 0 | 0 | 114.6 | Y116 F237 V238 | Y116-N235 HydrophobicContact CE2-CB 4.16Å; Y116-N235 VanDerWaalsContact OH-CB 3.26Å; Y116-N235 WeakPolarHBondContact OH-CB 3.43Å; N235-F237 PolarHBondContact O-N 2.97Å; N235-F237 VanDerWaalsContact O-N 3.14Å; N235-V238 HydrophobicContact CB-CG2 4.28Å; N235-V238 WeakPolarHBondContact O-CG2 3.3Å; N235-V238 PolarHBondContact O-N 2.85Å |
| 236 | V | 94 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.3 | -34.8 | -171 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | T234 V238 R239 F240 I245 I281 E284 | T234-V236 WeakPolarHBondContact OG1-CG1 3.29Å; T234-V236 WeakPolarHBondContact OG1-CG2 3.19Å; T234-V236 PolarHBondContact OG1-N 3.47Å; V236-V238 PolarHBondContact O-N 3.02Å; V236-V238 VanDerWaalsContact O-N 3.11Å; V236-R239 PolarHBondContact O-N 3.06Å; V236-F240 HydrophobicContact CB-CD2 4.02Å; V236-F240 HydrophobicContact CG1-CD2 4.32Å; V236-F240 HydrophobicContact CG1-CE2 4.4Å; V236-F240 PolarHBondContact O-N 2.92Å; V236-I245 HydrophobicContact CB-CD1 4.48Å; V236-I245 HydrophobicContact CG2-CD1 4.13Å; V236-I245 HydrophobicContact CG2-CG1 4.27Å; V236-I281 HydrophobicContact CB-CG1 4.34Å; V236-I281 HydrophobicContact CB-CG2 4.44Å; V236-I281 HydrophobicContact CG1-CB 4.32Å; V236-I281 HydrophobicContact CG1-CG1 4.08Å; V236-I281 HydrophobicContact CG1-CG2 4.14Å; V236-I281 HydrophobicContact CG2-CG2 4.49Å; V236-E284 HydrophobicContact CG1-CB 3.99Å |
| 237 | F | 93.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 20 Ų | 20 | 5% | 0.053 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.4 | -0.9 | 176.2 | -81.1 | -94.3 | 0 | 0 | 0 | 115.6 | V109 P201 L232 N235 I245 | V109-F237 HydrophobicContact CG2-CB 3.91Å; V109-F237 HydrophobicContact CG2-CD1 3.67Å; V109-F237 HydrophobicContact CG2-CE1 4.42Å; V109-F237 HydrophobicContact CG2-CG 3.97Å; P201-F237 HydrophobicContact CG-CE1 3.86Å; P201-F237 HydrophobicContact CG-CZ 3.65Å; L232-F237 HydrophobicContact CB-CE2 4.32Å; L232-F237 HydrophobicContact CD2-CD1 3.98Å; L232-F237 HydrophobicContact CD2-CD2 3.83Å; L232-F237 HydrophobicContact CD2-CE1 3.65Å; L232-F237 HydrophobicContact CD2-CE2 3.5Å; L232-F237 HydrophobicContact CD2-CG 4.05Å; L232-F237 HydrophobicContact CD2-CZ 3.4Å; L232-F237 HydrophobicContact CG-CD2 4.28Å; L232-F237 HydrophobicContact CG-CE2 3.65Å; L232-F237 HydrophobicContact CG-CZ 3.77Å; N235-F237 PolarHBondContact O-N 2.97Å; N235-F237 VanDerWaalsContact O-N 3.14Å; F237-I245 HydrophobicContact CD1-CD1 4.18Å; F237-I245 HydrophobicContact CD2-CD1 4.22Å; F237-I245 HydrophobicContact CE1-CD1 4.44Å; F237-I245 HydrophobicContact CE2-CD1 4.46Å; F237-I245 HydrophobicContact CE2-CG2 4.21Å; F237-I245 HydrophobicContact CG-CD1 4.08Å; F237-I245 HydrophobicContact CZ-CG2 4.25Å |
| 238 | V | 91 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -115.9 | -2.7 | 166.8 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | I59 L64 H112 R113 Y116 N235 V236 | I59-V238 HydrophobicContact CB-CB 4.42Å; I59-V238 HydrophobicContact CD1-CB 3.84Å; I59-V238 HydrophobicContact CD1-CG1 4.1Å; I59-V238 HydrophobicContact CD1-CG2 4.22Å; I59-V238 HydrophobicContact CG1-CB 4.03Å; I59-V238 PolarHBondContact N-O 3.35Å; L64-V238 HydrophobicContact CD2-CG2 4.23Å; H112-V238 HydrophobicContact CB-CG1 3.99Å; R113-V238 HydrophobicContact CG-CG1 3.92Å; Y116-V238 HydrophobicContact CD2-CG1 4.39Å; Y116-V238 HydrophobicContact CD2-CG2 3.7Å; Y116-V238 HydrophobicContact CE2-CG2 3.54Å; N235-V238 HydrophobicContact CB-CG2 4.28Å; N235-V238 WeakPolarHBondContact O-CG2 3.3Å; N235-V238 PolarHBondContact O-N 2.85Å; V236-V238 PolarHBondContact O-N 3.02Å; V236-V238 VanDerWaalsContact O-N 3.11Å |
| 239 | R | 91.6 | Very high | 94.5 | Very high | 38 Ų | 38 | 18.2 Ų | 18.2 | 14% | 0.143 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -108.4 | -42.1 | -178.7 | -67.3 | -174.5 | 68.8 | -158.6 | -4.4 | 113.2 | E61 L64 V236 E280 | E61-R239 IonicContact OE1-CZ 2.76Å; E61-R239 IonicContact OE1-NE 3.33Å; E61-R239 PolarHBondContact OE1-NE 3.13Å; E61-R239 IonicContact OE1-NH2 3.48Å; E61-R239 PolarHBondContact OE1-NH2 3.47Å; L64-R239 HydrophobicContact CD1-CG 3.66Å; L64-R239 HydrophobicContact CD2-CG 4.24Å; V236-R239 PolarHBondContact O-N 3.06Å; R239-E280 IonicContact CZ-OE1 2.65Å; R239-E280 IonicContact CZ-OE2 2.73Å; R239-E280 IonicContact NH1-OE1 2.67Å; R239-E280 PolarHBondContact NH1-OE1 2.87Å; R239-E280 IonicContact NH1-OE2 3.53Å; R239-E280 PolarHBondContact NH1-OE2 3.38Å; R239-E280 VanDerWaalsContact NH2-CD 3.26Å; R239-E280 IonicContact NH2-OE1 3.92Å; R239-E280 PolarHBondContact NH2-OE1 3.2Å; R239-E280 VanDerWaalsContact NH2-OE1 3.16Å; R239-E280 IonicContact NH2-OE2 3.55Å; R239-E280 PolarHBondContact NH2-OE2 3.07Å |
| 240 | F | 93 | Very high | 94.6 | Very high | 21 Ų | 21 | 16.9 Ų | 16.9 | 9% | 0.092 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -119.1 | 154.4 | -170.1 | -56.3 | -79.8 | 0 | 0 | 0 | 111.7 | L58 V236 T244 I245 E277 E280 I281 | L58-F240 WeakPolarHBondContact CD2-O 3.32Å; V236-F240 HydrophobicContact CB-CD2 4.02Å; V236-F240 HydrophobicContact CG1-CD2 4.32Å; V236-F240 HydrophobicContact CG1-CE2 4.4Å; V236-F240 PolarHBondContact O-N 2.92Å; F240-T244 HydrophobicContact CB-CG2 4.26Å; F240-T244 HydrophobicContact CD1-CG2 4.21Å; F240-I245 HydrophobicContact CB-CD1 4.39Å; F240-I245 HydrophobicContact CB-CG1 4.04Å; F240-E277 HydrophobicContact CD1-CB 4.36Å; F240-E277 HydrophobicContact CD1-CG 4.38Å; F240-E277 HydrophobicContact CE1-CB 4.18Å; F240-E277 HydrophobicContact CE1-CG 4.19Å; F240-E280 HydrophobicContact CZ-CB 4.39Å; F240-E280 HydrophobicContact CZ-CG 4.3Å; F240-I281 HydrophobicContact CB-CD1 3.9Å; F240-I281 HydrophobicContact CD1-CD1 4.1Å; F240-I281 HydrophobicContact CD1-CG1 4.44Å; F240-I281 HydrophobicContact CD2-CD1 3.74Å; F240-I281 HydrophobicContact CD2-CG1 3.45Å; F240-I281 VanDerWaalsContact CD2-CG1 3.45Å; F240-I281 HydrophobicContact CE2-CD1 4.27Å; F240-I281 HydrophobicContact CE2-CG1 3.6Å; F240-I281 HydrophobicContact CG-CD1 3.65Å; F240-I281 HydrophobicContact CG-CG1 3.91Å; F240-I281 HydrophobicContact CZ-CG1 4.17Å |
| 241 | Q | 92.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 16.8 Ų | 16.8 | 27% | 0.266 | 8% | 0.076 | S | C | . | . | trans | -69.9 | 152.2 | 173.8 | -65 | -63.9 | -2.4 | 0 | 0 | 111 | L58 E243 T244 I245 | L58-Q241 HydrophobicContact CD1-CG 4.08Å; Q241-E243 PolarHBondContact O-N 3.38Å; Q241-T244 WeakPolarHBondContact O-CB 3.45Å; Q241-T244 PolarHBondContact O-N 2.67Å; Q241-T244 VanDerWaalsContact O-N 3.11Å; Q241-I245 WeakPolarHBondContact O-CG1 3.36Å; Q241-I245 PolarHBondContact O-N 3.16Å | ||
| 242 | P | 93.6 | Very high | 94.7 | Very high | 11 Ų | 11 | 17.6 Ų | 17.6 | 7% | 0.071 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65 | -23.5 | -179 | 27 | -34.2 | 0 | 0 | 0 | 112.9 | K199 P201 I204 A246 | K199-P242 HydrophobicContact CB-CG 3.69Å; K199-P242 HydrophobicContact CD-CG 4.39Å; P201-P242 HydrophobicContact CB-CB 4.38Å; I204-P242 HydrophobicContact CD1-CB 3.96Å; I204-P242 HydrophobicContact CD1-CG 4.18Å; P242-A246 VanDerWaalsContact O-CB 3.3Å; P242-A246 WeakPolarHBondContact O-CB 3.39Å; P242-A246 PolarHBondContact O-N 2.94Å |
| 243 | E | 94.1 | Very high | 94.9 | Very high | 59 Ų | 59 | 17.6 Ų | 17.6 | 28% | 0.276 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -60.3 | -52.2 | 168.7 | -67.2 | 73.1 | -161.7 | 0 | 0 | 111.2 | I204 Y208 Q241 I245 A246 C247 | I204-E243 HydrophobicContact CD1-CG 4.17Å; Y208-E243 WeakPolarHBondContact OH-CB 3.18Å; Y208-E243 WeakPolarHBondContact OH-CG 3.35Å; Q241-E243 PolarHBondContact O-N 3.38Å; E243-I245 PolarHBondContact O-N 2.85Å; E243-A246 WeakPolarHBondContact O-CB 3.39Å; E243-A246 PolarHBondContact O-N 3.48Å; E243-C247 PolarHBondContact O-N 2.94Å; E243-C247 PolarHBondContact O-SG 3.46Å; E243-C247 VanDerWaalsContact O-SG 3.37Å |
| 244 | T | 95.5 | Very high | 95 | Very high | 11 Ų | 11 | 14.3 Ų | 14.3 | 7% | 0.067 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58 | -45.5 | 174.3 | -41.6 | 0 | 0 | 0 | 0 | 111.8 | F240 Q241 A246 C247 A248 T273 E277 I281 | F240-T244 HydrophobicContact CB-CG2 4.26Å; F240-T244 HydrophobicContact CD1-CG2 4.21Å; Q241-T244 WeakPolarHBondContact O-CB 3.45Å; Q241-T244 PolarHBondContact O-N 2.67Å; Q241-T244 VanDerWaalsContact O-N 3.11Å; T244-A246 PolarHBondContact O-N 3.11Å; T244-C247 PolarHBondContact O-N 3.2Å; T244-A248 PolarHBondContact O-N 2.86Å; T244-T273 HydrophobicContact CG2-CG2 3.78Å; T244-E277 HydrophobicContact CG2-CB 3.61Å; T244-E277 HydrophobicContact CG2-CG 4.17Å; T244-E277 WeakPolarHBondContact CG2-OE1 3.31Å; T244-I281 HydrophobicContact CG2-CD1 3.69Å |
| 245 | I | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.6 | -39.6 | 179.1 | -63.3 | 166 | 0 | 0 | 0 | 111.1 | P201 V236 F237 F240 Q241 E243 A248 C249 I281 | P201-I245 HydrophobicContact CG-CG2 4.22Å; V236-I245 HydrophobicContact CB-CD1 4.48Å; V236-I245 HydrophobicContact CG2-CD1 4.13Å; V236-I245 HydrophobicContact CG2-CG1 4.27Å; F237-I245 HydrophobicContact CD1-CD1 4.18Å; F237-I245 HydrophobicContact CD2-CD1 4.22Å; F237-I245 HydrophobicContact CE1-CD1 4.44Å; F237-I245 HydrophobicContact CE2-CD1 4.46Å; F237-I245 HydrophobicContact CE2-CG2 4.21Å; F237-I245 HydrophobicContact CG-CD1 4.08Å; F237-I245 HydrophobicContact CZ-CG2 4.25Å; F240-I245 HydrophobicContact CB-CD1 4.39Å; F240-I245 HydrophobicContact CB-CG1 4.04Å; Q241-I245 WeakPolarHBondContact O-CG1 3.36Å; Q241-I245 PolarHBondContact O-N 3.16Å; E243-I245 PolarHBondContact O-N 2.85Å; I245-A248 PolarHBondContact O-N 2.76Å; I245-C249 WeakPolarHBondContact O-CB 3.3Å; I245-C249 PolarHBondContact O-N 3.05Å; I245-C249 PolarHBondContact O-SG 3.47Å; I245-I281 HydrophobicContact CG1-CD1 4.16Å |
| 246 | A | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P201 I204 I205 Y208 P242 E243 T244 C249 I250 | P201-A246 HydrophobicContact CB-CB 4.04Å; I204-A246 HydrophobicContact CB-CB 3.87Å; I204-A246 HydrophobicContact CG2-CB 3.69Å; I205-A246 HydrophobicContact CG1-CB 3.63Å; Y208-A246 HydrophobicContact CD2-CB 4.08Å; Y208-A246 HydrophobicContact CE2-CB 3.99Å; P242-A246 VanDerWaalsContact O-CB 3.3Å; P242-A246 WeakPolarHBondContact O-CB 3.39Å; P242-A246 PolarHBondContact O-N 2.94Å; E243-A246 WeakPolarHBondContact O-CB 3.39Å; E243-A246 PolarHBondContact O-N 3.48Å; T244-A246 PolarHBondContact O-N 3.11Å; A246-C249 PolarHBondContact O-N 3.33Å; A246-I250 WeakPolarHBondContact O-CG1 3.16Å; A246-I250 PolarHBondContact O-N 3.15Å; A246-I250 VanDerWaalsContact O-N 3.09Å |
| 247 | C | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.7 | -48.8 | 175.8 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | Y208 E243 T244 C249 I250 Y251 W267 F268 T273 I278 | Y208-C247 WeakPolarHBondContact CE2-SG 3.23Å; E243-C247 PolarHBondContact O-N 2.94Å; E243-C247 PolarHBondContact O-SG 3.46Å; E243-C247 VanDerWaalsContact O-SG 3.37Å; T244-C247 PolarHBondContact O-N 3.2Å; C247-C249 PolarHBondContact O-N 3Å; C247-I250 PolarHBondContact O-N 3.05Å; C247-Y251 WeakPolarHBondContact O-CB 3.07Å; C247-Y251 PolarHBondContact O-N 3.37Å; C247-W267 HydrophobicContact CB-CH2 4.17Å; C247-W267 HydrophobicContact CB-CZ3 4.4Å; C247-W267 WeakPolarHBondContact O-CH2 3.27Å; C247-F268 HydrophobicContact CB-CB 4.33Å; C247-T273 HydrophobicContact CB-CG2 4Å; C247-I278 HydrophobicContact CB-CD1 4.07Å; C247-I278 HydrophobicContact CB-CG1 4.38Å |
| 248 | A | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | T244 I245 Y251 L252 I278 I281 | T244-A248 PolarHBondContact O-N 2.86Å; I245-A248 PolarHBondContact O-N 2.76Å; A248-Y251 PolarHBondContact O-N 2.9Å; A248-L252 WeakPolarHBondContact O-CB 3.4Å; A248-L252 PolarHBondContact O-N 3.16Å; A248-I278 HydrophobicContact CB-CB 4.43Å; A248-I278 HydrophobicContact CB-CG1 4.15Å; A248-I278 HydrophobicContact CB-CG2 4.45Å; A248-I281 HydrophobicContact CB-CB 3.62Å; A248-I281 HydrophobicContact CB-CD1 4.01Å; A248-I281 HydrophobicContact CB-CG1 4.44Å; A248-I281 HydrophobicContact CB-CG2 3.42Å; A248-I281 VanDerWaalsContact CB-CG2 3.42Å |
| 249 | C | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.7 | -34.8 | 179 | -64.8 | 0 | 0 | 0 | 0 | 112.6 | I205 M228 I245 A246 C247 A253 | I205-C249 HydrophobicContact CD1-CB 4.09Å; M228-C249 HydrophobicContact CB-CB 4.09Å; I245-C249 WeakPolarHBondContact O-CB 3.3Å; I245-C249 PolarHBondContact O-N 3.05Å; I245-C249 PolarHBondContact O-SG 3.47Å; A246-C249 PolarHBondContact O-N 3.33Å; C247-C249 PolarHBondContact O-N 3Å; C249-A253 VanDerWaalsContact O-CB 3.29Å; C249-A253 WeakPolarHBondContact O-CB 3.32Å; C249-A253 PolarHBondContact O-N 3.5Å; C249-A253 VanDerWaalsContact O-N 3.1Å |
| 250 | I | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.2 | -46.7 | 171.6 | -69 | 165.6 | 0 | 0 | 0 | 110.8 | I205 Y208 L209 L212 A224 A246 C247 L252 A253 A254 L261 W267 | I205-I250 HydrophobicContact CG2-CD1 4.36Å; I205-I250 HydrophobicContact CG2-CG1 4.11Å; Y208-I250 HydrophobicContact CD2-CD1 4.27Å; L209-I250 HydrophobicContact CD1-CG1 4.35Å; L209-I250 HydrophobicContact CD2-CD1 4.26Å; L209-I250 HydrophobicContact CD2-CG1 4.2Å; L209-I250 HydrophobicContact CD2-CG2 3.91Å; L209-I250 HydrophobicContact CG-CD1 3.92Å; L209-I250 HydrophobicContact CG-CG1 4.11Å; L212-I250 HydrophobicContact CD1-CG2 4.23Å; A224-I250 HydrophobicContact CB-CG1 4.13Å; A246-I250 WeakPolarHBondContact O-CG1 3.16Å; A246-I250 PolarHBondContact O-N 3.15Å; A246-I250 VanDerWaalsContact O-N 3.09Å; C247-I250 PolarHBondContact O-N 3.05Å; I250-L252 PolarHBondContact O-N 2.94Å; I250-A253 PolarHBondContact O-N 2.86Å; I250-A254 WeakPolarHBondContact O-CB 3.04Å; I250-A254 PolarHBondContact O-N 3.29Å; I250-L261 HydrophobicContact CG2-CD1 4.01Å; I250-W267 HydrophobicContact CB-CH2 3.81Å; I250-W267 HydrophobicContact CB-CZ2 4.22Å; I250-W267 HydrophobicContact CD1-CH2 4.47Å; I250-W267 HydrophobicContact CG2-CH2 3.63Å; I250-W267 HydrophobicContact CG2-CZ2 3.73Å; I250-W267 HydrophobicContact CG2-CZ3 4.49Å |
| 251 | Y | 96.8 | Very high | 95.4 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.2 | -46.1 | 178 | 176.2 | -85.3 | 0 | 0 | 0 | 111.6 | C247 A248 A254 R255 F268 E275 I278 | C247-Y251 WeakPolarHBondContact O-CB 3.07Å; C247-Y251 PolarHBondContact O-N 3.37Å; A248-Y251 PolarHBondContact O-N 2.9Å; Y251-A254 PolarHBondContact O-N 3.49Å; Y251-R255 HydrophobicContact CE1-CG 4.34Å; Y251-R255 WeakPolarHBondContact O-CB 3.34Å; Y251-R255 WeakPolarHBondContact O-CG 3.43Å; Y251-R255 PolarHBondContact O-N 3.01Å; Y251-R255 PolarHBondContact OH-NH1 3.01Å; Y251-F268 HydrophobicContact CD2-CD1 4.32Å; Y251-F268 HydrophobicContact CD2-CE1 4.1Å; Y251-F268 HydrophobicContact CE2-CE1 4.13Å; Y251-E275 PolarHBondContact OH-OE1 3.44Å; Y251-I278 HydrophobicContact CD1-CG2 3.42Å; Y251-I278 VanDerWaalsContact CD1-CG2 3.42Å; Y251-I278 HydrophobicContact CD2-CG2 3.95Å; Y251-I278 HydrophobicContact CE1-CG2 3.81Å; Y251-I278 HydrophobicContact CE2-CG2 4.29Å; Y251-I278 HydrophobicContact CG-CG2 3.49Å; Y251-I278 VanDerWaalsContact CG-CG2 3.49Å |
| 252 | L | 96.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 9% | 0.089 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.4 | -173.1 | 57 | 0 | 0 | 0 | 112 | Y227 A248 I250 A256 C282 T285 L286 | Y227-L252 HydrophobicContact CD1-CD2 3.67Å; Y227-L252 HydrophobicContact CD1-CG 4.33Å; Y227-L252 HydrophobicContact CD2-CB 4.18Å; Y227-L252 HydrophobicContact CD2-CD2 3.97Å; Y227-L252 HydrophobicContact CD2-CG 3.87Å; Y227-L252 HydrophobicContact CE1-CD2 3.89Å; Y227-L252 HydrophobicContact CE1-CG 4.25Å; Y227-L252 HydrophobicContact CE2-CB 4.36Å; Y227-L252 HydrophobicContact CE2-CD2 4.15Å; Y227-L252 HydrophobicContact CE2-CG 3.74Å; Y227-L252 HydrophobicContact CG-CD2 3.74Å; Y227-L252 HydrophobicContact CG-CG 4.18Å; A248-L252 WeakPolarHBondContact O-CB 3.4Å; A248-L252 PolarHBondContact O-N 3.16Å; I250-L252 PolarHBondContact O-N 2.94Å; L252-A256 VanDerWaalsContact O-CB 3.26Å; L252-A256 WeakPolarHBondContact O-CB 3.43Å; L252-A256 PolarHBondContact O-N 3.47Å; L252-C282 HydrophobicContact CD1-CB 4.41Å; L252-T285 HydrophobicContact CD2-CG2 4.2Å; L252-L286 HydrophobicContact CD1-CD1 4.02Å; L252-L286 HydrophobicContact CD1-CD2 4.28Å; L252-L286 HydrophobicContact CD1-CG 4.21Å; L252-L286 HydrophobicContact CD2-CD2 4.47Å; L252-L286 HydrophobicContact CD2-CG 4.37Å |
| 253 | A | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -44.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L220 T223 A224 Y227 C249 I250 A256 L257 | L220-A253 HydrophobicContact CD1-CB 3.65Å; T223-A253 HydrophobicContact CG2-CB 3.72Å; A224-A253 HydrophobicContact CB-CB 3.83Å; Y227-A253 HydrophobicContact CD2-CB 4.14Å; Y227-A253 HydrophobicContact CE2-CB 4.33Å; C249-A253 VanDerWaalsContact O-CB 3.29Å; C249-A253 WeakPolarHBondContact O-CB 3.32Å; C249-A253 PolarHBondContact O-N 3.5Å; C249-A253 VanDerWaalsContact O-N 3.1Å; I250-A253 PolarHBondContact O-N 2.86Å; A253-A256 PolarHBondContact O-N 3.4Å; A253-L257 WeakPolarHBondContact O-CB 3.44Å; A253-L257 VanDerWaalsContact O-CG 3.32Å; A253-L257 WeakPolarHBondContact O-CG 3.42Å; A253-L257 PolarHBondContact O-N 3.32Å |
| 254 | A | 96.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L220 I250 Y251 L257 Q258 I259 L261 | L220-A254 HydrophobicContact CD1-CB 4.21Å; I250-A254 WeakPolarHBondContact O-CB 3.04Å; I250-A254 PolarHBondContact O-N 3.29Å; Y251-A254 PolarHBondContact O-N 3.49Å; A254-L257 CarbonylContact O-C 3.48Å; A254-L257 PolarHBondContact O-N 3.41Å; A254-Q258 PolarHBondContact O-N 2.67Å; A254-I259 HydrophobicContact CB-CB 4.37Å; A254-I259 PolarHBondContact O-N 2.67Å; A254-L261 HydrophobicContact CB-CD1 3.49Å; A254-L261 VanDerWaalsContact CB-CD1 3.49Å; A254-L261 HydrophobicContact CB-CG 3.86Å |
| 255 | R | 95.5 | Very high | 94.5 | Very high | 167 Ų | 167 | 57.3 Ų | 57.3 | 63% | 0.63 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.8 | -40.5 | 175 | -73.9 | -172.1 | 65.8 | 176.5 | -3.7 | 113 | Y251 L257 Q258 | Y251-R255 HydrophobicContact CE1-CG 4.34Å; Y251-R255 WeakPolarHBondContact O-CB 3.34Å; Y251-R255 WeakPolarHBondContact O-CG 3.43Å; Y251-R255 PolarHBondContact O-N 3.01Å; Y251-R255 PolarHBondContact OH-NH1 3.01Å; R255-L257 VanDerWaalsContact C-N 3.3Å; R255-L257 PolarHBondContact O-N 2.88Å; R255-Q258 PolarHBondContact O-N 2.62Å |
| 256 | A | 95.2 | Very high | 94.3 | Very high | 55 Ų | 55 | 60.3 Ų | 60.3 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66 | -32.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y227 L252 A253 | Y227-A256 HydrophobicContact CE2-CB 4.31Å; L252-A256 VanDerWaalsContact O-CB 3.26Å; L252-A256 WeakPolarHBondContact O-CB 3.43Å; L252-A256 PolarHBondContact O-N 3.47Å; A253-A256 PolarHBondContact O-N 3.4Å |
| 257 | L | 96 | Very high | 94.2 | Very high | 68 Ų | 68 | 61.2 Ų | 61.2 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 3.8 | 177.8 | -63.1 | 173.5 | 0 | 0 | 0 | 113.7 | L220 T223 A253 A254 R255 I259 | L220-L257 HydrophobicContact CB-CD1 4.13Å; L220-L257 HydrophobicContact CD1-CD1 4.28Å; T223-L257 HydrophobicContact CG2-CD1 4.45Å; A253-L257 WeakPolarHBondContact O-CB 3.44Å; A253-L257 VanDerWaalsContact O-CG 3.32Å; A253-L257 WeakPolarHBondContact O-CG 3.42Å; A253-L257 PolarHBondContact O-N 3.32Å; A254-L257 CarbonylContact O-C 3.48Å; A254-L257 PolarHBondContact O-N 3.41Å; R255-L257 VanDerWaalsContact C-N 3.3Å; R255-L257 PolarHBondContact O-N 2.88Å; L257-I259 HydrophobicContact CB-CD1 3.69Å; L257-I259 HydrophobicContact CB-CG1 3.91Å; L257-I259 HydrophobicContact CD1-CD1 3.93Å; L257-I259 HydrophobicContact CG-CD1 4.49Å; L257-I259 PolarHBondContact O-N 2.79Å |
| 258 | Q | 94.6 | Very high | 94 | Very high | 180 Ų | 180 | 61.4 Ų | 61.4 | 84% | 0.841 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 29.2 | -176.4 | -57.1 | -177.1 | -13.8 | 0 | 0 | 114.6 | A254 R255 | A254-Q258 PolarHBondContact O-N 2.67Å; R255-Q258 PolarHBondContact O-N 2.62Å |
| 259 | I | 93.3 | Very high | 93.8 | Very high | 38 Ų | 38 | 66 Ų | 66 | 20% | 0.195 | 34% | 0.338 | C | S | . | . | trans | -83.1 | 121.7 | 179 | -63.3 | 166 | 0 | 0 | 0 | 109.2 | N217 L220 A254 L257 L261 | N217-I259 VanDerWaalsContact ND2-CD1 3.34Å; N217-I259 WeakPolarHBondContact ND2-CD1 3.4Å; L220-I259 HydrophobicContact CB-CD1 3.88Å; L220-I259 HydrophobicContact CD1-CD1 4.21Å; L220-I259 HydrophobicContact CD2-CD1 3.99Å; L220-I259 HydrophobicContact CG-CD1 4.25Å; A254-I259 HydrophobicContact CB-CB 4.37Å; A254-I259 PolarHBondContact O-N 2.67Å; L257-I259 HydrophobicContact CB-CD1 3.69Å; L257-I259 HydrophobicContact CB-CG1 3.91Å; L257-I259 HydrophobicContact CD1-CD1 3.93Å; L257-I259 HydrophobicContact CG-CD1 4.49Å; L257-I259 PolarHBondContact O-N 2.79Å; I259-L261 HydrophobicContact CG2-CD2 4.39Å; I259-L261 PolarHBondContact O-N 3.07Å | ||
| 260 | P | 91.7 | Very high | 93.5 | Very high | 123 Ų | 123 | 72 Ų | 72 | 80% | 0.799 | 37% | 0.369 | S | S | * | . | trans | -73 | 121.9 | 175.2 | 29.6 | -32.9 | 0 | 0 | 0 | 110.5 | ||||
| 261 | L | 91.4 | Very high | 93.3 | Very high | 26 Ų | 26 | 73.9 Ų | 73.9 | 14% | 0.136 | 38% | 0.377 | C | S | . | . | trans | -108.2 | 160.7 | 168.8 | -63.9 | -179.2 | 0 | 0 | 0 | 110.1 | I250 A254 I259 T263 W267 | I250-L261 HydrophobicContact CG2-CD1 4.01Å; A254-L261 HydrophobicContact CB-CD1 3.49Å; A254-L261 VanDerWaalsContact CB-CD1 3.49Å; A254-L261 HydrophobicContact CB-CG 3.86Å; I259-L261 HydrophobicContact CG2-CD2 4.39Å; I259-L261 PolarHBondContact O-N 3.07Å; L261-T263 PolarHBondContact O-N 3.06Å; L261-W267 HydrophobicContact CB-CG 4.42Å; L261-W267 HydrophobicContact CD1-CZ2 3.97Å | ||
| 262 | P | 91.2 | Very high | 93 | Very high | 76 Ų | 76 | 75.9 Ų | 75.9 | 49% | 0.494 | 41% | 0.406 | S | S | . | . | trans | -60.8 | 129.1 | -175.9 | -23.8 | 33.4 | 0 | 0 | 0 | 113.8 | P265 H266 W267 | P262-P265 CarbonylContact C-O 3.56Å; P262-H266 WeakPolarHBondContact O-CA 3.36Å; P262-W267 HydrophobicContact CB-CB 4.2Å; P262-W267 HydrophobicContact CG-CB 4.34Å; P262-W267 PolarHBondContact O-N 3.2Å | ||
| 263 | T | 89.5 | Confident | 92.8 | Very high | 78 Ų | 78 | 75.2 Ų | 75.2 | 48% | 0.479 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -117.1 | -3.1 | -179.2 | 52 | 0 | 0 | 0 | 0 | 113.9 | L261 P265 H266 | L261-T263 PolarHBondContact O-N 3.06Å; T263-P265 CarbonylContact C-O 3.28Å; T263-P265 VanDerWaalsContact C-O 3.28Å; T263-P265 CarbonylContact O-C 3.56Å; T263-H266 PolarHBondContact O-CD2 2.98Å; T263-H266 PolarHBondContact O-NE2 3.42Å |
| 264 | R | 88.3 | Confident | 92.7 | Very high | 236 Ų | 236 | 77.9 Ų | 77.9 | 89% | 0.891 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.6 | 89 | 178.3 | -63 | -171 | -174.9 | 114.8 | 0.5 | 111.4 | ||
| 265 | P | 87.6 | Confident | 92.6 | Very high | 105 Ų | 105 | 80.1 Ų | 80.1 | 68% | 0.682 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -68.1 | 167.1 | -9.6 | 31.8 | -36.5 | 0 | 0 | 0 | 112.3 | P262 T263 W267 L269 | P262-P265 CarbonylContact C-O 3.56Å; T263-P265 CarbonylContact C-O 3.28Å; T263-P265 VanDerWaalsContact C-O 3.28Å; T263-P265 CarbonylContact O-C 3.56Å; P265-W267 PolarHBondContact O-N 3.48Å; P265-L269 HydrophobicContact CB-CD1 4.34Å |
| 266 | H | 92.5 | Very high | 92.6 | Very high | 63 Ų | 63 | 78.6 Ų | 78.6 | 29% | 0.292 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -64.9 | 126.4 | 172.4 | -77.7 | -118.8 | 0 | 0 | 0 | 110.4 | P262 T263 F268 L269 E275 | P262-H266 WeakPolarHBondContact O-CA 3.36Å; T263-H266 PolarHBondContact O-CD2 2.98Å; T263-H266 PolarHBondContact O-NE2 3.42Å; H266-F268 HydrophobicContact CB-CD1 4.26Å; H266-F268 HydrophobicContact CB-CD2 4.22Å; H266-F268 HydrophobicContact CB-CE1 3.79Å; H266-F268 HydrophobicContact CB-CE2 3.73Å; H266-F268 HydrophobicContact CB-CG 4.47Å; H266-F268 HydrophobicContact CB-CZ 3.51Å; H266-F268 AromaticContact CG-CZ 3.68Å; H266-F268 AromaticContact ND1-CE1 3.44Å; H266-F268 WeakPolarHBondContact ND1-CE1 3.21Å; H266-F268 AromaticContact ND1-CZ 3.28Å; H266-F268 VanDerWaalsContact ND1-CZ 3.28Å; H266-F268 WeakPolarHBondContact ND1-CZ 3.33Å; H266-F268 PolarHBondContact O-N 3.45Å; H266-F268 VanDerWaalsContact O-N 3.12Å; H266-L269 HydrophobicContact CB-CD1 4.04Å; H266-L269 HydrophobicContact CB-CG 4.17Å; H266-L269 VanDerWaalsContact O-CB 3.32Å; H266-L269 WeakPolarHBondContact O-CB 3.25Å; H266-L269 WeakPolarHBondContact O-CG 3.49Å; H266-L269 PolarHBondContact O-N 3.33Å; H266-L269 VanDerWaalsContact O-N 3.08Å; H266-E275 IonicContact CE1-OE2 2.81Å; H266-E275 PolarHBondContact CE1-OE2 3.21Å; H266-E275 IonicContact ND1-OE2 2.72Å |
| 267 | W | 94.2 | Very high | 92.6 | Very high | 19 Ų | 19 | 78.4 Ų | 78.4 | 7% | 0.072 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -57.1 | -31.6 | -171.6 | 67.1 | -92.9 | 0 | 0 | 0 | 114.5 | L212 C247 I250 L261 P262 P265 L269 L270 F271 | L212-W267 HydrophobicContact CD1-CD2 4.04Å; L212-W267 HydrophobicContact CD1-CE3 3.77Å; L212-W267 HydrophobicContact CD1-CH2 4.44Å; L212-W267 HydrophobicContact CD1-CZ3 3.99Å; L212-W267 HydrophobicContact CD2-CB 3.79Å; L212-W267 HydrophobicContact CD2-CD2 4.12Å; L212-W267 HydrophobicContact CD2-CE3 4.05Å; L212-W267 HydrophobicContact CD2-CG 4.04Å; L212-W267 HydrophobicContact CG-CE3 4.41Å; C247-W267 HydrophobicContact CB-CH2 4.17Å; C247-W267 HydrophobicContact CB-CZ3 4.4Å; C247-W267 WeakPolarHBondContact O-CH2 3.27Å; I250-W267 HydrophobicContact CB-CH2 3.81Å; I250-W267 HydrophobicContact CB-CZ2 4.22Å; I250-W267 HydrophobicContact CD1-CH2 4.47Å; I250-W267 HydrophobicContact CG2-CH2 3.63Å; I250-W267 HydrophobicContact CG2-CZ2 3.73Å; I250-W267 HydrophobicContact CG2-CZ3 4.49Å; L261-W267 HydrophobicContact CB-CG 4.42Å; L261-W267 HydrophobicContact CD1-CZ2 3.97Å; P262-W267 HydrophobicContact CB-CB 4.2Å; P262-W267 HydrophobicContact CG-CB 4.34Å; P262-W267 PolarHBondContact O-N 3.2Å; P265-W267 PolarHBondContact O-N 3.48Å; W267-L269 PolarHBondContact O-N 3Å; W267-L270 VanDerWaalsContact O-CB 3.24Å; W267-L270 WeakPolarHBondContact O-CB 3.44Å; W267-L270 PolarHBondContact O-N 3.29Å; W267-F271 AromaticContact CE3-CD2 4Å; W267-F271 HydrophobicContact CE3-CD2 4Å; W267-F271 AromaticContact CE3-CE2 3.78Å; W267-F271 HydrophobicContact CE3-CE2 3.78Å; W267-F271 AromaticContact CZ3-CD2 3.84Å; W267-F271 HydrophobicContact CZ3-CD2 3.84Å; W267-F271 AromaticContact CZ3-CE2 3.8Å; W267-F271 HydrophobicContact CZ3-CE2 3.8Å |
| 268 | F | 93.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.018 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -69.3 | -18.9 | -178.5 | 48.8 | -109.4 | 0 | 0 | 0 | 113.6 | C247 Y251 H266 L270 F271 T273 E275 I278 | C247-F268 HydrophobicContact CB-CB 4.33Å; Y251-F268 HydrophobicContact CD2-CD1 4.32Å; Y251-F268 HydrophobicContact CD2-CE1 4.1Å; Y251-F268 HydrophobicContact CE2-CE1 4.13Å; H266-F268 HydrophobicContact CB-CD1 4.26Å; H266-F268 HydrophobicContact CB-CD2 4.22Å; H266-F268 HydrophobicContact CB-CE1 3.79Å; H266-F268 HydrophobicContact CB-CE2 3.73Å; H266-F268 HydrophobicContact CB-CG 4.47Å; H266-F268 HydrophobicContact CB-CZ 3.51Å; H266-F268 AromaticContact CG-CZ 3.68Å; H266-F268 AromaticContact ND1-CE1 3.44Å; H266-F268 WeakPolarHBondContact ND1-CE1 3.21Å; H266-F268 AromaticContact ND1-CZ 3.28Å; H266-F268 VanDerWaalsContact ND1-CZ 3.28Å; H266-F268 WeakPolarHBondContact ND1-CZ 3.33Å; H266-F268 PolarHBondContact O-N 3.45Å; H266-F268 VanDerWaalsContact O-N 3.12Å; F268-L270 PolarHBondContact O-N 3.04Å; F268-F271 PolarHBondContact O-N 3.43Å; F268-T273 WeakPolarHBondContact CD2-O 3.45Å; F268-T273 PolarHBondContact O-N 3.43Å; F268-E275 HydrophobicContact CE2-CB 3.98Å; F268-E275 HydrophobicContact CZ-CB 3.7Å; F268-E275 HydrophobicContact CZ-CG 3.95Å; F268-I278 HydrophobicContact CB-CD1 3.57Å; F268-I278 HydrophobicContact CD1-CD1 3.45Å; F268-I278 VanDerWaalsContact CD1-CD1 3.45Å; F268-I278 HydrophobicContact CD2-CD1 3.83Å; F268-I278 HydrophobicContact CE1-CD1 3.99Å; F268-I278 HydrophobicContact CE2-CD1 4.33Å; F268-I278 HydrophobicContact CG-CD1 3.34Å; F268-I278 HydrophobicContact CZ-CD1 4.4Å |
| 269 | L | 93.2 | Very high | 92.7 | Very high | 98 Ų | 98 | 70.9 Ų | 70.9 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -64.8 | -26.3 | 174.2 | -59.8 | 172.2 | 0 | 0 | 0 | 111.8 | P265 H266 W267 F271 G272 | P265-L269 HydrophobicContact CB-CD1 4.34Å; H266-L269 HydrophobicContact CB-CD1 4.04Å; H266-L269 HydrophobicContact CB-CG 4.17Å; H266-L269 VanDerWaalsContact O-CB 3.32Å; H266-L269 WeakPolarHBondContact O-CB 3.25Å; H266-L269 WeakPolarHBondContact O-CG 3.49Å; H266-L269 PolarHBondContact O-N 3.33Å; H266-L269 VanDerWaalsContact O-N 3.08Å; W267-L269 PolarHBondContact O-N 3Å; L269-F271 PolarHBondContact O-N 2.79Å; L269-G272 PolarHBondContact O-N 2.95Å; L269-G272 VanDerWaalsContact O-N 3.16Å |
| 270 | L | 91.5 | Very high | 92.8 | Very high | 128 Ų | 128 | 72.5 Ų | 72.5 | 67% | 0.67 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -60.6 | -25.1 | 172.2 | -176.5 | 61.7 | 0 | 0 | 0 | 112.4 | V211 W267 F268 | V211-L270 HydrophobicContact CG1-CD2 3.89Å; W267-L270 VanDerWaalsContact O-CB 3.24Å; W267-L270 WeakPolarHBondContact O-CB 3.44Å; W267-L270 PolarHBondContact O-N 3.29Å; F268-L270 PolarHBondContact O-N 3.04Å |
| 271 | F | 92.2 | Very high | 93 | Very high | 39 Ų | 39 | 66.7 Ų | 66.7 | 17% | 0.171 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -106.7 | 16 | -179 | -52.3 | -49.9 | 0 | 0 | 0 | 112.5 | Y208 V211 W267 F268 L269 T273 | Y208-F271 AromaticContact CD1-CD1 3.75Å; Y208-F271 HydrophobicContact CD1-CD1 3.75Å; Y208-F271 HydrophobicContact CD1-CD2 4.04Å; Y208-F271 AromaticContact CD1-CE1 3.47Å; Y208-F271 HydrophobicContact CD1-CE1 3.47Å; Y208-F271 VanDerWaalsContact CD1-CE1 3.47Å; Y208-F271 AromaticContact CD1-CE2 3.77Å; Y208-F271 HydrophobicContact CD1-CE2 3.77Å; Y208-F271 HydrophobicContact CD1-CG 4.04Å; Y208-F271 AromaticContact CD1-CZ 3.48Å; Y208-F271 HydrophobicContact CD1-CZ 3.48Å; Y208-F271 VanDerWaalsContact CD1-CZ 3.48Å; Y208-F271 AromaticContact CD2-CD2 3.81Å; Y208-F271 HydrophobicContact CD2-CD2 3.81Å; Y208-F271 AromaticContact CD2-CE2 3.95Å; Y208-F271 HydrophobicContact CD2-CE2 3.95Å; Y208-F271 HydrophobicContact CD2-CG 4.24Å; Y208-F271 HydrophobicContact CE1-CB 4.33Å; Y208-F271 AromaticContact CE1-CD1 3.36Å; Y208-F271 HydrophobicContact CE1-CD1 3.36Å; Y208-F271 HydrophobicContact CE1-CD2 4.1Å; Y208-F271 AromaticContact CE1-CE1 3.57Å; Y208-F271 HydrophobicContact CE1-CE1 3.57Å; Y208-F271 HydrophobicContact CE1-CE2 4.27Å; Y208-F271 AromaticContact CE1-CG 3.66Å; Y208-F271 HydrophobicContact CE1-CG 3.66Å; Y208-F271 HydrophobicContact CE1-CZ 4.02Å; Y208-F271 HydrophobicContact CE2-CB 4.11Å; Y208-F271 HydrophobicContact CE2-CD1 4.45Å; Y208-F271 AromaticContact CE2-CD2 3.88Å; Y208-F271 HydrophobicContact CE2-CD2 3.88Å; Y208-F271 HydrophobicContact CE2-CE2 4.43Å; Y208-F271 AromaticContact CE2-CG 3.89Å; Y208-F271 HydrophobicContact CE2-CG 3.89Å; Y208-F271 HydrophobicContact CG-CD1 4.44Å; Y208-F271 AromaticContact CG-CD2 3.9Å; Y208-F271 HydrophobicContact CG-CD2 3.9Å; Y208-F271 HydrophobicContact CG-CE1 4.19Å; Y208-F271 AromaticContact CG-CE2 3.59Å; Y208-F271 HydrophobicContact CG-CE2 3.59Å; Y208-F271 HydrophobicContact CG-CG 4.31Å; Y208-F271 AromaticContact CG-CZ 3.76Å; Y208-F271 HydrophobicContact CG-CZ 3.76Å; Y208-F271 AromaticContact CZ-CD1 3.77Å; Y208-F271 AromaticContact CZ-CG 3.58Å; V211-F271 HydrophobicContact CB-CZ 4.18Å; V211-F271 HydrophobicContact CG1-CE1 4.37Å; V211-F271 HydrophobicContact CG1-CZ 3.95Å; W267-F271 AromaticContact CE3-CD2 4Å; W267-F271 HydrophobicContact CE3-CD2 4Å; W267-F271 AromaticContact CE3-CE2 3.78Å; W267-F271 HydrophobicContact CE3-CE2 3.78Å; W267-F271 AromaticContact CZ3-CD2 3.84Å; W267-F271 HydrophobicContact CZ3-CD2 3.84Å; W267-F271 AromaticContact CZ3-CE2 3.8Å; W267-F271 HydrophobicContact CZ3-CE2 3.8Å; F268-F271 PolarHBondContact O-N 3.43Å; L269-F271 PolarHBondContact O-N 2.79Å; F271-T273 PolarHBondContact O-N 2.85Å |
| 272 | G | 91.1 | Very high | 93.3 | Very high | 69 Ų | 69 | 66 Ų | 66 | 71% | 0.711 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 14.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L269 | L269-G272 PolarHBondContact O-N 2.95Å; L269-G272 VanDerWaalsContact O-N 3.16Å |
| 273 | T | 92.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | trans | -95.4 | 142.2 | -179.9 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | T244 C247 F268 F271 E277 I278 | T244-T273 HydrophobicContact CG2-CG2 3.78Å; C247-T273 HydrophobicContact CB-CG2 4Å; F268-T273 WeakPolarHBondContact CD2-O 3.45Å; F268-T273 PolarHBondContact O-N 3.43Å; F271-T273 PolarHBondContact O-N 2.85Å; T273-E277 WeakPolarHBondContact CA-OE2 3.35Å; T273-I278 HydrophobicContact CG2-CD1 3.62Å; T273-I278 HydrophobicContact CG2-CG1 3.55Å | ||
| 274 | T | 94.8 | Very high | 93.7 | Very high | 57 Ų | 57 | 64 Ų | 64 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | trans | -92.3 | 166.6 | 175.2 | 93.5 | 0 | 0 | 0 | 0 | 112.6 | E276 E277 I278 | T274-E276 WeakPolarHBondContact CB-OE2 3.4Å; T274-E276 PolarHBondContact OG1-N 3.2Å; T274-E276 PolarHBondContact OG1-OE2 3.06Å; T274-E277 PolarHBondContact N-OE2 3.31Å; T274-E277 PolarHBondContact OG1-N 2.98Å; T274-I278 PolarHBondContact O-N 2.87Å | ||
| 275 | E | 94.2 | Very high | 94.1 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.4 | -32.8 | 176.9 | -169.2 | 166.1 | 165.6 | 0 | 0 | 111.7 | Y251 H266 F268 I278 Q279 | Y251-E275 PolarHBondContact OH-OE1 3.44Å; H266-E275 IonicContact CE1-OE2 2.81Å; H266-E275 PolarHBondContact CE1-OE2 3.21Å; H266-E275 IonicContact ND1-OE2 2.72Å; F268-E275 HydrophobicContact CE2-CB 3.98Å; F268-E275 HydrophobicContact CZ-CB 3.7Å; F268-E275 HydrophobicContact CZ-CG 3.95Å; E275-I278 WeakPolarHBondContact O-CB 3.45Å; E275-I278 PolarHBondContact O-N 3.34Å; E275-Q279 HydrophobicContact CG-CG 4.08Å; E275-Q279 WeakPolarHBondContact O-CB 3.23Å; E275-Q279 WeakPolarHBondContact O-CG 3.46Å; E275-Q279 PolarHBondContact O-N 3.39Å; E275-Q279 PolarHBondContact OE1-NE2 2.96Å |
| 276 | E | 95.4 | Very high | 94.5 | Very high | 136 Ų | 136 | 51.5 Ų | 51.5 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.6 | -46.8 | 179.5 | -58.9 | 73 | -160.9 | 0 | 0 | 111.2 | T274 I278 Q279 E280 | T274-E276 WeakPolarHBondContact CB-OE2 3.4Å; T274-E276 PolarHBondContact OG1-N 3.2Å; T274-E276 PolarHBondContact OG1-OE2 3.06Å; E276-I278 VanDerWaalsContact C-N 3.33Å; E276-I278 PolarHBondContact O-N 3.49Å; E276-Q279 PolarHBondContact O-N 3.06Å; E276-E280 PolarHBondContact O-N 2.86Å |
| 277 | E | 95.4 | Very high | 94.5 | Very high | 51 Ų | 51 | 55 Ų | 55 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 174.1 | -62.5 | -179.6 | 107.3 | 0 | 0 | 111.6 | F240 T244 T273 T274 E280 I281 | F240-E277 HydrophobicContact CD1-CB 4.36Å; F240-E277 HydrophobicContact CD1-CG 4.38Å; F240-E277 HydrophobicContact CE1-CB 4.18Å; F240-E277 HydrophobicContact CE1-CG 4.19Å; T244-E277 HydrophobicContact CG2-CB 3.61Å; T244-E277 HydrophobicContact CG2-CG 4.17Å; T244-E277 WeakPolarHBondContact CG2-OE1 3.31Å; T273-E277 WeakPolarHBondContact CA-OE2 3.35Å; T274-E277 PolarHBondContact N-OE2 3.31Å; T274-E277 PolarHBondContact OG1-N 2.98Å; E277-E280 PolarHBondContact O-N 2.97Å; E277-I281 WeakPolarHBondContact O-CD1 3.5Å; E277-I281 VanDerWaalsContact O-CG1 3.26Å; E277-I281 WeakPolarHBondContact O-CG1 3.47Å; E277-I281 PolarHBondContact O-N 3.07Å |
| 278 | I | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 178.1 | -77.3 | 171.7 | 0 | 0 | 0 | 110.9 | C247 A248 Y251 F268 T273 T274 E275 E276 E280 I281 C282 | C247-I278 HydrophobicContact CB-CD1 4.07Å; C247-I278 HydrophobicContact CB-CG1 4.38Å; A248-I278 HydrophobicContact CB-CB 4.43Å; A248-I278 HydrophobicContact CB-CG1 4.15Å; A248-I278 HydrophobicContact CB-CG2 4.45Å; Y251-I278 HydrophobicContact CD1-CG2 3.42Å; Y251-I278 VanDerWaalsContact CD1-CG2 3.42Å; Y251-I278 HydrophobicContact CD2-CG2 3.95Å; Y251-I278 HydrophobicContact CE1-CG2 3.81Å; Y251-I278 HydrophobicContact CE2-CG2 4.29Å; Y251-I278 HydrophobicContact CG-CG2 3.49Å; Y251-I278 VanDerWaalsContact CG-CG2 3.49Å; F268-I278 HydrophobicContact CB-CD1 3.57Å; F268-I278 HydrophobicContact CD1-CD1 3.45Å; F268-I278 VanDerWaalsContact CD1-CD1 3.45Å; F268-I278 HydrophobicContact CD2-CD1 3.83Å; F268-I278 HydrophobicContact CE1-CD1 3.99Å; F268-I278 HydrophobicContact CE2-CD1 4.33Å; F268-I278 HydrophobicContact CG-CD1 3.34Å; F268-I278 HydrophobicContact CZ-CD1 4.4Å; T273-I278 HydrophobicContact CG2-CD1 3.62Å; T273-I278 HydrophobicContact CG2-CG1 3.55Å; T274-I278 PolarHBondContact O-N 2.87Å; E275-I278 WeakPolarHBondContact O-CB 3.45Å; E275-I278 PolarHBondContact O-N 3.34Å; E276-I278 VanDerWaalsContact C-N 3.33Å; E276-I278 PolarHBondContact O-N 3.49Å; I278-E280 VanDerWaalsContact C-N 3.34Å; I278-E280 PolarHBondContact O-N 3.07Å; I278-I281 PolarHBondContact O-N 3.42Å; I278-C282 VanDerWaalsContact O-CB 3.3Å; I278-C282 WeakPolarHBondContact O-CB 3.46Å; I278-C282 PolarHBondContact O-N 3.33Å; I278-C282 PolarHBondContact O-SG 3.13Å |
| 279 | Q | 96.2 | Very high | 94.4 | Very high | 90 Ų | 90 | 60.4 Ų | 60.4 | 42% | 0.421 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 179.7 | -73.9 | -176.1 | 19.6 | 0 | 0 | 110.9 | E275 E276 C282 I283 | E275-Q279 HydrophobicContact CG-CG 4.08Å; E275-Q279 WeakPolarHBondContact O-CB 3.23Å; E275-Q279 WeakPolarHBondContact O-CG 3.46Å; E275-Q279 PolarHBondContact O-N 3.39Å; E275-Q279 PolarHBondContact OE1-NE2 2.96Å; E276-Q279 PolarHBondContact O-N 3.06Å; Q279-C282 PolarHBondContact O-N 2.82Å; Q279-I283 WeakPolarHBondContact O-CB 3.49Å; Q279-I283 WeakPolarHBondContact O-CD1 3.4Å; Q279-I283 WeakPolarHBondContact O-CG1 3.49Å; Q279-I283 PolarHBondContact O-N 2.82Å |
| 280 | E | 95.7 | Very high | 94.3 | Very high | 72 Ų | 72 | 61.2 Ų | 61.2 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 177.8 | -174.8 | 162.5 | -152.1 | 0 | 0 | 112.8 | R239 F240 E276 E277 I278 C282 I283 E284 | R239-E280 IonicContact CZ-OE1 2.65Å; R239-E280 IonicContact CZ-OE2 2.73Å; R239-E280 IonicContact NH1-OE1 2.67Å; R239-E280 PolarHBondContact NH1-OE1 2.87Å; R239-E280 IonicContact NH1-OE2 3.53Å; R239-E280 PolarHBondContact NH1-OE2 3.38Å; R239-E280 VanDerWaalsContact NH2-CD 3.26Å; R239-E280 IonicContact NH2-OE1 3.92Å; R239-E280 PolarHBondContact NH2-OE1 3.2Å; R239-E280 VanDerWaalsContact NH2-OE1 3.16Å; R239-E280 IonicContact NH2-OE2 3.55Å; R239-E280 PolarHBondContact NH2-OE2 3.07Å; F240-E280 HydrophobicContact CZ-CB 4.39Å; F240-E280 HydrophobicContact CZ-CG 4.3Å; E276-E280 PolarHBondContact O-N 2.86Å; E277-E280 PolarHBondContact O-N 2.97Å; I278-E280 VanDerWaalsContact C-N 3.34Å; I278-E280 PolarHBondContact O-N 3.07Å; E280-C282 VanDerWaalsContact C-N 3.27Å; E280-C282 PolarHBondContact O-N 2.87Å; E280-I283 PolarHBondContact O-N 3.02Å; E280-I283 VanDerWaalsContact O-N 3.12Å; E280-E284 PolarHBondContact O-N 3.32Å |
| 281 | I | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 176.3 | -65.4 | 164.4 | 0 | 0 | 0 | 110.9 | V236 F240 T244 I245 A248 E277 I278 T285 | V236-I281 HydrophobicContact CB-CG1 4.34Å; V236-I281 HydrophobicContact CB-CG2 4.44Å; V236-I281 HydrophobicContact CG1-CB 4.32Å; V236-I281 HydrophobicContact CG1-CG1 4.08Å; V236-I281 HydrophobicContact CG1-CG2 4.14Å; V236-I281 HydrophobicContact CG2-CG2 4.49Å; F240-I281 HydrophobicContact CB-CD1 3.9Å; F240-I281 HydrophobicContact CD1-CD1 4.1Å; F240-I281 HydrophobicContact CD1-CG1 4.44Å; F240-I281 HydrophobicContact CD2-CD1 3.74Å; F240-I281 HydrophobicContact CD2-CG1 3.45Å; F240-I281 VanDerWaalsContact CD2-CG1 3.45Å; F240-I281 HydrophobicContact CE2-CD1 4.27Å; F240-I281 HydrophobicContact CE2-CG1 3.6Å; F240-I281 HydrophobicContact CG-CD1 3.65Å; F240-I281 HydrophobicContact CG-CG1 3.91Å; F240-I281 HydrophobicContact CZ-CG1 4.17Å; T244-I281 HydrophobicContact CG2-CD1 3.69Å; I245-I281 HydrophobicContact CG1-CD1 4.16Å; A248-I281 HydrophobicContact CB-CB 3.62Å; A248-I281 HydrophobicContact CB-CD1 4.01Å; A248-I281 HydrophobicContact CB-CG1 4.44Å; A248-I281 HydrophobicContact CB-CG2 3.42Å; A248-I281 VanDerWaalsContact CB-CG2 3.42Å; E277-I281 WeakPolarHBondContact O-CD1 3.5Å; E277-I281 VanDerWaalsContact O-CG1 3.26Å; E277-I281 WeakPolarHBondContact O-CG1 3.47Å; E277-I281 PolarHBondContact O-N 3.07Å; I278-I281 PolarHBondContact O-N 3.42Å; I281-T285 WeakPolarHBondContact O-CB 3.22Å; I281-T285 PolarHBondContact O-N 3.45Å; I281-T285 PolarHBondContact O-OG1 3.39Å |
| 282 | C | 96.8 | Very high | 94.2 | Very high | 11 Ų | 11 | 65.8 Ų | 65.8 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 173.5 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | L252 I278 Q279 E280 T285 L286 | L252-C282 HydrophobicContact CD1-CB 4.41Å; I278-C282 VanDerWaalsContact O-CB 3.3Å; I278-C282 WeakPolarHBondContact O-CB 3.46Å; I278-C282 PolarHBondContact O-N 3.33Å; I278-C282 PolarHBondContact O-SG 3.13Å; Q279-C282 PolarHBondContact O-N 2.82Å; E280-C282 VanDerWaalsContact C-N 3.27Å; E280-C282 PolarHBondContact O-N 2.87Å; C282-T285 PolarHBondContact O-N 2.82Å; C282-L286 WeakPolarHBondContact O-CB 3.27Å; C282-L286 VanDerWaalsContact O-CG 3.25Å; C282-L286 WeakPolarHBondContact O-CG 3.47Å; C282-L286 PolarHBondContact O-N 2.93Å |
| 283 | I | 96.1 | Very high | 94 | Very high | 79 Ų | 79 | 69.8 Ų | 69.8 | 41% | 0.405 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 179.5 | -73.5 | 164 | 0 | 0 | 0 | 111 | Q279 E280 L286 R287 | Q279-I283 WeakPolarHBondContact O-CB 3.49Å; Q279-I283 WeakPolarHBondContact O-CD1 3.4Å; Q279-I283 WeakPolarHBondContact O-CG1 3.49Å; Q279-I283 PolarHBondContact O-N 2.82Å; E280-I283 PolarHBondContact O-N 3.02Å; E280-I283 VanDerWaalsContact O-N 3.12Å; I283-L286 PolarHBondContact O-N 3.48Å; I283-R287 HydrophobicContact CG2-CG 4.42Å; I283-R287 WeakPolarHBondContact O-CB 3.49Å; I283-R287 WeakPolarHBondContact O-CG 3.39Å; I283-R287 PolarHBondContact O-N 2.89Å |
| 284 | E | 94.3 | Very high | 93.7 | Very high | 34 Ų | 34 | 70.8 Ų | 70.8 | 16% | 0.159 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.9 | -79.8 | -56.1 | 126.7 | 0 | 0 | 112.5 | T234 V236 E280 R287 | T234-E284 HydrophobicContact CG2-CB 4.38Å; T234-E284 WeakPolarHBondContact CG2-O 3.39Å; V236-E284 HydrophobicContact CG1-CB 3.99Å; E280-E284 PolarHBondContact O-N 3.32Å; E284-R287 PolarHBondContact O-N 3.4Å; E284-R287 VanDerWaalsContact OE1-CD 3.26Å; E284-R287 WeakPolarHBondContact OE1-CD 3.45Å; E284-R287 IonicContact OE1-CZ 3.7Å; E284-R287 IonicContact OE1-NE 3.41Å; E284-R287 IonicContact OE1-NH1 3.72Å; E284-R287 PolarHBondContact OE1-NH1 3.15Å |
| 285 | T | 95.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -43 | 176.5 | -54.2 | 0 | 0 | 0 | 0 | 111.1 | Y227 S231 L252 I281 C282 L288 | Y227-T285 HydrophobicContact CD1-CG2 4.19Å; S231-T285 WeakPolarHBondContact CB-OG1 3.39Å; L252-T285 HydrophobicContact CD2-CG2 4.2Å; I281-T285 WeakPolarHBondContact O-CB 3.22Å; I281-T285 PolarHBondContact O-N 3.45Å; I281-T285 PolarHBondContact O-OG1 3.39Å; C282-T285 PolarHBondContact O-N 2.82Å; T285-L288 WeakPolarHBondContact O-CB 3.43Å; T285-L288 PolarHBondContact O-N 2.99Å |
| 286 | L | 95.6 | Very high | 93 | Very high | 77 Ų | 77 | 70.9 Ų | 70.9 | 40% | 0.403 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.5 | -32.1 | 178 | -72.2 | 173.4 | 0 | 0 | 0 | 113.2 | L252 C282 I283 L288 Y289 | L252-L286 HydrophobicContact CD1-CD1 4.02Å; L252-L286 HydrophobicContact CD1-CD2 4.28Å; L252-L286 HydrophobicContact CD1-CG 4.21Å; L252-L286 HydrophobicContact CD2-CD2 4.47Å; L252-L286 HydrophobicContact CD2-CG 4.37Å; C282-L286 WeakPolarHBondContact O-CB 3.27Å; C282-L286 VanDerWaalsContact O-CG 3.25Å; C282-L286 WeakPolarHBondContact O-CG 3.47Å; C282-L286 PolarHBondContact O-N 2.93Å; I283-L286 PolarHBondContact O-N 3.48Å; L286-L288 PolarHBondContact O-N 3.26Å; L286-Y289 HydrophobicContact CD2-CD2 4.13Å; L286-Y289 HydrophobicContact CD2-CE2 4.34Å; L286-Y289 PolarHBondContact O-N 3.36Å; L286-Y289 VanDerWaalsContact O-N 3.14Å |
| 287 | R | 94 | Very high | 92.6 | Very high | 136 Ų | 136 | 69.3 Ų | 69.3 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -55 | -34.7 | 174.5 | -81.8 | 166.7 | 179.7 | -175.3 | 3 | 111.5 | I283 E284 Y289 T290 R291 | I283-R287 HydrophobicContact CG2-CG 4.42Å; I283-R287 WeakPolarHBondContact O-CB 3.49Å; I283-R287 WeakPolarHBondContact O-CG 3.39Å; I283-R287 PolarHBondContact O-N 2.89Å; E284-R287 PolarHBondContact O-N 3.4Å; E284-R287 VanDerWaalsContact OE1-CD 3.26Å; E284-R287 WeakPolarHBondContact OE1-CD 3.45Å; E284-R287 IonicContact OE1-CZ 3.7Å; E284-R287 IonicContact OE1-NE 3.41Å; E284-R287 IonicContact OE1-NH1 3.72Å; E284-R287 PolarHBondContact OE1-NH1 3.15Å; R287-Y289 PolarHBondContact O-N 3.17Å; R287-T290 PolarHBondContact O-N 2.89Å; R287-T290 PolarHBondContact O-OG1 2.87Å; R287-R291 PolarHBondContact O-N 3.19Å |
| 288 | L | 92.9 | Very high | 92.4 | Very high | 30 Ų | 30 | 72.1 Ų | 72.1 | 16% | 0.157 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.4 | -46.7 | 175.8 | -66.8 | -179.8 | 0 | 0 | 0 | 113.3 | I84 D230 R233 T234 T285 L286 T290 R291 | I84-L288 HydrophobicContact CD1-CD2 3.71Å; I84-L288 HydrophobicContact CG1-CD2 3.97Å; D230-L288 HydrophobicContact CB-CD1 4.34Å; D230-L288 WeakPolarHBondContact O-CD1 3.24Å; R233-L288 HydrophobicContact CB-CD1 4.09Å; R233-L288 HydrophobicContact CB-CD2 4.36Å; T234-L288 HydrophobicContact CG2-CD1 3.66Å; T234-L288 HydrophobicContact CG2-CD2 3.97Å; T234-L288 HydrophobicContact CG2-CG 3.69Å; T285-L288 WeakPolarHBondContact O-CB 3.43Å; T285-L288 PolarHBondContact O-N 2.99Å; L286-L288 PolarHBondContact O-N 3.26Å; L288-T290 PolarHBondContact O-N 2.99Å; L288-R291 PolarHBondContact O-N 2.97Å |
| 289 | Y | 92.1 | Very high | 92.1 | Very high | 106 Ų | 106 | 72.7 Ų | 72.7 | 42% | 0.416 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.5 | -24.5 | -176.2 | -54.5 | -62.3 | 0 | 0 | 0 | 112.7 | Y227 D230 L286 R287 | Y227-Y289 HydrophobicContact CD1-CE2 4.17Å; Y227-Y289 WeakPolarHBondContact CD1-OH 3.23Å; Y227-Y289 AromaticContact CE1-CE2 3.87Å; Y227-Y289 HydrophobicContact CE1-CE2 3.87Å; D230-Y289 WeakPolarHBondContact OD2-CE1 3.4Å; D230-Y289 PolarHBondContact OD2-OH 2.62Å; L286-Y289 HydrophobicContact CD2-CD2 4.13Å; L286-Y289 HydrophobicContact CD2-CE2 4.34Å; L286-Y289 PolarHBondContact O-N 3.36Å; L286-Y289 VanDerWaalsContact O-N 3.14Å; R287-Y289 PolarHBondContact O-N 3.17Å |
| 290 | T | 92.5 | Very high | 91.8 | Very high | 115 Ų | 115 | 72.7 Ų | 72.7 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -79.6 | -20.9 | 176.4 | 71.1 | 0 | 0 | 0 | 0 | 113.8 | R287 L288 | R287-T290 PolarHBondContact O-N 2.89Å; R287-T290 PolarHBondContact O-OG1 2.87Å; L288-T290 PolarHBondContact O-N 2.99Å |
| 291 | R | 90.6 | Very high | 91.6 | Very high | 78 Ų | 78 | 75.4 Ų | 75.4 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -70.1 | 144.9 | -177.5 | -70 | 179.7 | 89.2 | 103.9 | -1.7 | 111.9 | P77 D81 R287 L288 R421 | P77-R291 PolarHBondContact O-NH2 2.92Å; P77-R291 VanDerWaalsContact O-NH2 3.12Å; D81-R291 IonicContact OD1-CZ 2.92Å; D81-R291 VanDerWaalsContact OD1-CZ 3.24Å; D81-R291 IonicContact OD1-NE 2.64Å; D81-R291 PolarHBondContact OD1-NE 3.03Å; D81-R291 IonicContact OD1-NH2 3.17Å; D81-R291 PolarHBondContact OD1-NH2 3.32Å; R287-R291 PolarHBondContact O-N 3.19Å; L288-R291 PolarHBondContact O-N 2.97Å; R291-R421 PolarHBondContact O-NH2 2.82Å |
| 292 | K | 90.3 | Very high | 91.4 | Very high | 186 Ų | 186 | 77.2 Ų | 77.2 | 81% | 0.809 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 147.3 | 166.4 | -66.3 | 177.4 | -177.8 | 174.5 | 0 | 108.3 | P294 | K292-P294 WeakPolarHBondContact O-CD 3.39Š|
| 293 | K | 86.2 | Confident | 91.2 | Very high | 153 Ų | 153 | 77.6 Ų | 77.6 | 67% | 0.665 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 125 | 178.1 | -178.7 | 165.5 | -176.8 | 152.3 | 0 | 109.2 | ||
| 294 | P | 85.7 | Confident | 90.9 | Very high | 24 Ų | 24 | 77.6 Ų | 77.6 | 16% | 0.156 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -65 | 146.6 | -177.8 | 22.6 | -32.8 | 0 | 0 | 0 | 112.7 | D81 K292 L299 | D81-P294 HydrophobicContact CB-CB 3.82Å; D81-P294 HydrophobicContact CB-CG 4.31Å; K292-P294 WeakPolarHBondContact O-CD 3.39Å; P294-L299 HydrophobicContact CB-CD1 3.75Å |
| 295 | N | 87.7 | Confident | 90.9 | Very high | 85 Ų | 85 | 81.9 Ų | 81.9 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | trans | -91.2 | 109.4 | 171.8 | -174.1 | -12.5 | 0 | 0 | 0 | 110.1 | E297 L298 L299 | N295-E297 VanDerWaalsContact C-N 3.28Å; N295-E297 PolarHBondContact O-N 2.97Å; N295-E297 PolarHBondContact OD1-N 3.31Å; N295-E297 VanDerWaalsContact OD1-N 3.13Å; N295-L298 HydrophobicContact CB-CB 4.37Å; N295-L298 HydrophobicContact CB-CD1 4.04Å; N295-L298 HydrophobicContact CB-CG 4.14Å; N295-L298 PolarHBondContact O-N 2.88Å; N295-L299 PolarHBondContact O-N 3.43Å | ||
| 296 | Y | 87.7 | Confident | 90.7 | Very high | 23 Ų | 23 | 85 Ų | 85 | 9% | 0.09 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -46.7 | -48.6 | 178.3 | -176.4 | -76 | 0 | 0 | 0 | 112.6 | L85 L89 F125 E126 R160 L298 L299 E300 | L85-Y296 HydrophobicContact CD1-CD2 4.18Å; L85-Y296 HydrophobicContact CD2-CD2 3.69Å; L85-Y296 HydrophobicContact CD2-CE2 4.21Å; L85-Y296 HydrophobicContact CD2-CG 4.43Å; L85-Y296 HydrophobicContact CG-CD2 4.3Å; L89-Y296 HydrophobicContact CD1-CE2 4.47Å; F125-Y296 HydrophobicContact CE1-CE2 4.43Å; F125-Y296 HydrophobicContact CE2-CE2 4.14Å; F125-Y296 HydrophobicContact CZ-CD2 4.35Å; F125-Y296 AromaticContact CZ-CE2 3.47Å; F125-Y296 HydrophobicContact CZ-CE2 3.47Å; F125-Y296 VanDerWaalsContact CZ-CE2 3.47Å; F125-Y296 AromaticContact CZ-CZ 3.76Å; E126-Y296 VanDerWaalsContact CD-OH 3.29Å; E126-Y296 PolarHBondContact OE1-OH 3.33Å; R160-Y296 PolarHBondContact NH2-OH 3.36Å; Y296-L298 VanDerWaalsContact C-N 3.34Å; Y296-L298 PolarHBondContact O-N 3.38Å; Y296-L299 PolarHBondContact O-N 3.01Å; Y296-E300 HydrophobicContact CE1-CB 4.07Å; Y296-E300 VanDerWaalsContact CE1-CD 3.48Å; Y296-E300 HydrophobicContact CE1-CG 4.37Å; Y296-E300 WeakPolarHBondContact CE1-OE1 3.28Å; Y296-E300 WeakPolarHBondContact CE1-OE2 3.38Å; Y296-E300 WeakPolarHBondContact O-CB 3.47Å; Y296-E300 PolarHBondContact O-N 3.29Å; Y296-E300 PolarHBondContact OH-OE1 2.86Å |
| 297 | E | 87.3 | Confident | 90.6 | Very high | 104 Ų | 104 | 84.8 Ų | 84.8 | 49% | 0.486 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.7 | -27.6 | -171.4 | -63.5 | -174.9 | -168.7 | 0 | 0 | 113.4 | N295 K301 | N295-E297 VanDerWaalsContact C-N 3.28Å; N295-E297 PolarHBondContact O-N 2.97Å; N295-E297 PolarHBondContact OD1-N 3.31Å; N295-E297 VanDerWaalsContact OD1-N 3.13Å; E297-K301 WeakPolarHBondContact O-CB 3.49Å; E297-K301 VanDerWaalsContact O-CD 3.25Å; E297-K301 WeakPolarHBondContact O-CD 3.16Å; E297-K301 WeakPolarHBondContact O-CG 3.45Å; E297-K301 PolarHBondContact O-N 3.45Å; E297-K301 IonicContact OE2-NZ 3.32Å |
| 298 | L | 90.7 | Very high | 90.5 | Very high | 109 Ų | 109 | 81.5 Ų | 81.5 | 57% | 0.571 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -76.8 | -40.9 | 177.4 | -62.9 | -179.6 | 0 | 0 | 0 | 110.6 | N295 Y296 K301 E302 | N295-L298 HydrophobicContact CB-CB 4.37Å; N295-L298 HydrophobicContact CB-CD1 4.04Å; N295-L298 HydrophobicContact CB-CG 4.14Å; N295-L298 PolarHBondContact O-N 2.88Å; Y296-L298 VanDerWaalsContact C-N 3.34Å; Y296-L298 PolarHBondContact O-N 3.38Å; L298-K301 PolarHBondContact O-N 3.42Å; L298-E302 PolarHBondContact O-N 3.23Å |
| 299 | L | 90.2 | Very high | 90.4 | Very high | 13 Ų | 13 | 82.5 Ų | 82.5 | 7% | 0.068 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.8 | -42 | 176 | -66.2 | 169.6 | 0 | 0 | 0 | 111.8 | D81 L82 L85 P294 N295 Y296 K301 E302 V303 | D81-L299 HydrophobicContact CB-CD1 3.83Å; D81-L299 HydrophobicContact CB-CD2 4.34Å; L82-L299 HydrophobicContact CD2-CB 3.99Å; L82-L299 HydrophobicContact CD2-CD1 4.49Å; L82-L299 HydrophobicContact CG-CB 4.38Å; L82-L299 HydrophobicContact CG-CD1 4.49Å; L85-L299 HydrophobicContact CD2-CD1 4.29Å; P294-L299 HydrophobicContact CB-CD1 3.75Å; N295-L299 PolarHBondContact O-N 3.43Å; Y296-L299 PolarHBondContact O-N 3.01Å; L299-K301 PolarHBondContact O-N 2.83Å; L299-E302 PolarHBondContact O-N 3.47Å; L299-V303 WeakPolarHBondContact O-CB 3.38Å; L299-V303 VanDerWaalsContact O-CG2 3.31Å; L299-V303 WeakPolarHBondContact O-CG2 3.49Å; L299-V303 PolarHBondContact O-N 3.42Å |
| 300 | E | 89.6 | Confident | 90.3 | Very high | 90 Ų | 90 | 79 Ų | 79 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 176.1 | -170.7 | 170 | -107.5 | 0 | 0 | 111.7 | Y296 E304 | Y296-E300 HydrophobicContact CE1-CB 4.07Å; Y296-E300 VanDerWaalsContact CE1-CD 3.48Å; Y296-E300 HydrophobicContact CE1-CG 4.37Å; Y296-E300 WeakPolarHBondContact CE1-OE1 3.28Å; Y296-E300 WeakPolarHBondContact CE1-OE2 3.38Å; Y296-E300 WeakPolarHBondContact O-CB 3.47Å; Y296-E300 PolarHBondContact O-N 3.29Å; Y296-E300 PolarHBondContact OH-OE1 2.86Å; E300-E304 WeakPolarHBondContact O-CB 3.45Å; E300-E304 PolarHBondContact O-N 3Å |
| 301 | K | 91.4 | Very high | 90.2 | Very high | 128 Ų | 128 | 78.3 Ų | 78.3 | 56% | 0.557 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 174.5 | -74.8 | 166.8 | -171.3 | 164 | 0 | 112.7 | E297 L298 L299 E304 K305 | E297-K301 WeakPolarHBondContact O-CB 3.49Å; E297-K301 VanDerWaalsContact O-CD 3.25Å; E297-K301 WeakPolarHBondContact O-CD 3.16Å; E297-K301 WeakPolarHBondContact O-CG 3.45Å; E297-K301 PolarHBondContact O-N 3.45Å; E297-K301 IonicContact OE2-NZ 3.32Å; L298-K301 PolarHBondContact O-N 3.42Å; L299-K301 PolarHBondContact O-N 2.83Å; K301-E304 PolarHBondContact O-N 3.41Å; K301-K305 VanDerWaalsContact O-CB 3.28Å; K301-K305 WeakPolarHBondContact O-CB 3.49Å; K301-K305 PolarHBondContact O-N 3.05Å |
| 302 | E | 92.1 | Very high | 90.1 | Very high | 39 Ų | 39 | 78.2 Ų | 78.2 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 178.9 | -173.1 | 61.4 | -160.7 | 0 | 0 | 111.5 | L298 L299 E304 K305 R306 | L298-E302 PolarHBondContact O-N 3.23Å; L299-E302 PolarHBondContact O-N 3.47Å; E302-E304 PolarHBondContact O-N 2.89Å; E302-K305 PolarHBondContact O-N 3.43Å; E302-K305 IonicContact OE1-NZ 2.68Å; E302-K305 PolarHBondContact OE1-NZ 3.2Å; E302-K305 VanDerWaalsContact OE1-NZ 3.16Å; E302-K305 WeakPolarHBondContact OE2-CD 3.31Å; E302-K305 IonicContact OE2-NZ 3.4Å; E302-K305 PolarHBondContact OE2-NZ 3.11Å; E302-R306 WeakPolarHBondContact O-CG 3.19Å; E302-R306 PolarHBondContact O-N 2.93Å; E302-R306 IonicContact OE1-CZ 2.7Å; E302-R306 IonicContact OE1-NE 2.67Å; E302-R306 PolarHBondContact OE1-NE 3.19Å; E302-R306 IonicContact OE1-NH2 2.69Å; E302-R306 PolarHBondContact OE1-NH2 3.29Å |
| 303 | V | 92.1 | Very high | 90.1 | Very high | 19 Ų | 19 | 71.9 Ų | 71.9 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 173.4 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | L74 L82 L299 R306 K307 | L74-V303 HydrophobicContact CD1-CG2 4.42Å; L82-V303 HydrophobicContact CD1-CG2 3.5Å; L82-V303 VanDerWaalsContact CD1-CG2 3.5Å; L82-V303 HydrophobicContact CD2-CG2 4.41Å; L299-V303 WeakPolarHBondContact O-CB 3.38Å; L299-V303 VanDerWaalsContact O-CG2 3.31Å; L299-V303 WeakPolarHBondContact O-CG2 3.49Å; L299-V303 PolarHBondContact O-N 3.42Å; V303-R306 PolarHBondContact O-N 3.4Å; V303-K307 VanDerWaalsContact O-CB 3.28Å; V303-K307 WeakPolarHBondContact O-CB 3.37Å; V303-K307 PolarHBondContact O-N 2.89Å |
| 304 | E | 91.6 | Very high | 90.2 | Very high | 80 Ų | 80 | 69.4 Ų | 69.4 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 178.7 | -169.1 | 56.3 | -135.5 | 0 | 0 | 111.8 | E300 K301 E302 R306 K307 V308 | E300-E304 WeakPolarHBondContact O-CB 3.45Å; E300-E304 PolarHBondContact O-N 3Å; K301-E304 PolarHBondContact O-N 3.41Å; E302-E304 PolarHBondContact O-N 2.89Å; E304-R306 PolarHBondContact O-N 2.74Å; E304-K307 CarbonylContact O-C 3.51Å; E304-K307 WeakPolarHBondContact O-CA 3.39Å; E304-K307 WeakPolarHBondContact O-CB 3.44Å; E304-K307 PolarHBondContact O-N 3.42Å; E304-K307 VanDerWaalsContact O-N 3.08Å; E304-K307 IonicContact OE1-NZ 2.67Å; E304-K307 PolarHBondContact OE1-NZ 2.98Å; E304-K307 IonicContact OE2-NZ 3.16Å; E304-K307 PolarHBondContact OE2-NZ 3.09Å; E304-V308 WeakPolarHBondContact O-CG2 3.16Å; E304-V308 PolarHBondContact O-N 3.39Å |
| 305 | K | 93.1 | Very high | 90.3 | Very high | 123 Ų | 123 | 70.7 Ų | 70.7 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.2 | -45.5 | 172.2 | 170.1 | -178.7 | 151.7 | -146.5 | 0 | 112.2 | K301 E302 K307 V308 A309 | K301-K305 VanDerWaalsContact O-CB 3.28Å; K301-K305 WeakPolarHBondContact O-CB 3.49Å; K301-K305 PolarHBondContact O-N 3.05Å; E302-K305 PolarHBondContact O-N 3.43Å; E302-K305 IonicContact OE1-NZ 2.68Å; E302-K305 PolarHBondContact OE1-NZ 3.2Å; E302-K305 VanDerWaalsContact OE1-NZ 3.16Å; E302-K305 WeakPolarHBondContact OE2-CD 3.31Å; E302-K305 IonicContact OE2-NZ 3.4Å; E302-K305 PolarHBondContact OE2-NZ 3.11Å; K305-K307 VanDerWaalsContact C-N 3.32Å; K305-K307 PolarHBondContact O-N 2.94Å; K305-V308 PolarHBondContact O-N 3.15Å; K305-A309 PolarHBondContact O-N 2.82Å |
| 306 | R | 91.7 | Very high | 90.2 | Very high | 67 Ų | 67 | 72.8 Ų | 72.8 | 25% | 0.253 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.3 | -34.6 | 173.7 | -60.3 | -43.8 | 176 | 95.3 | 24.6 | 112.3 | G73 V121 E302 V303 E304 A309 L310 | G73-R306 PolarHBondContact O-NH1 2.86Å; V121-R306 VanDerWaalsContact CG1-C 3.48Å; V121-R306 HydrophobicContact CG1-CB 3.77Å; V121-R306 HydrophobicContact CG2-CB 3.93Å; E302-R306 WeakPolarHBondContact O-CG 3.19Å; E302-R306 PolarHBondContact O-N 2.93Å; E302-R306 IonicContact OE1-CZ 2.7Å; E302-R306 IonicContact OE1-NE 2.67Å; E302-R306 PolarHBondContact OE1-NE 3.19Å; E302-R306 IonicContact OE1-NH2 2.69Å; E302-R306 PolarHBondContact OE1-NH2 3.29Å; V303-R306 PolarHBondContact O-N 3.4Å; E304-R306 PolarHBondContact O-N 2.74Å; R306-A309 PolarHBondContact O-N 3.34Å; R306-L310 WeakPolarHBondContact O-CB 3.5Å; R306-L310 PolarHBondContact O-N 3.43Å |
| 307 | K | 92.1 | Very high | 90.1 | Very high | 73 Ų | 73 | 76 Ų | 76 | 32% | 0.317 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.2 | -33.3 | 177.9 | 168.4 | 167.3 | 158 | -82.2 | 0 | 112.5 | V121 V303 E304 K305 Q311 | V121-K307 HydrophobicContact CG1-CB 3.95Å; V303-K307 VanDerWaalsContact O-CB 3.28Å; V303-K307 WeakPolarHBondContact O-CB 3.37Å; V303-K307 PolarHBondContact O-N 2.89Å; E304-K307 CarbonylContact O-C 3.51Å; E304-K307 WeakPolarHBondContact O-CA 3.39Å; E304-K307 WeakPolarHBondContact O-CB 3.44Å; E304-K307 PolarHBondContact O-N 3.42Å; E304-K307 VanDerWaalsContact O-N 3.08Å; E304-K307 IonicContact OE1-NZ 2.67Å; E304-K307 PolarHBondContact OE1-NZ 2.98Å; E304-K307 IonicContact OE2-NZ 3.16Å; E304-K307 PolarHBondContact OE2-NZ 3.09Å; K305-K307 VanDerWaalsContact C-N 3.32Å; K305-K307 PolarHBondContact O-N 2.94Å; K307-Q311 VanDerWaalsContact O-CG 3.29Å; K307-Q311 WeakPolarHBondContact O-CG 3.4Å; K307-Q311 PolarHBondContact O-N 3.37Å; K307-Q311 PolarHBondContact O-NE2 2.67Å |
| 308 | V | 92.2 | Very high | 89.9 | Confident | 67 Ų | 67 | 78.8 Ų | 78.8 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.4 | -51.5 | 169.5 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | E304 K305 L310 Q311 E312 | E304-V308 WeakPolarHBondContact O-CG2 3.16Å; E304-V308 PolarHBondContact O-N 3.39Å; K305-V308 PolarHBondContact O-N 3.15Å; V308-L310 VanDerWaalsContact C-N 3.28Å; V308-L310 PolarHBondContact O-N 3.22Å; V308-Q311 WeakPolarHBondContact O-CA 3.44Å; V308-Q311 WeakPolarHBondContact O-CB 3.4Å; V308-Q311 PolarHBondContact O-N 3.4Å; V308-E312 PolarHBondContact O-N 3.13Å |
| 309 | A | 91.8 | Very high | 89 | Confident | 50 Ų | 50 | 75.4 Ų | 75.4 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.2 | -39.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K305 R306 Q311 E312 A313 | K305-A309 PolarHBondContact O-N 2.82Å; R306-A309 PolarHBondContact O-N 3.34Å; A309-Q311 VanDerWaalsContact C-N 3.32Å; A309-Q311 PolarHBondContact O-N 2.96Å; A309-E312 PolarHBondContact O-N 3.24Å; A309-A313 WeakPolarHBondContact O-CB 3.35Å; A309-A313 PolarHBondContact O-N 3.46Å |
| 310 | L | 89.9 | Confident | 87.8 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 17% | 0.168 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.4 | -25.4 | 175 | -178.4 | 63.3 | 0 | 0 | 0 | 113.3 | D72 V121 K122 R306 V308 K314 | D72-L310 HydrophobicContact CB-CD2 4.27Å; D72-L310 WeakPolarHBondContact OD1-CD2 3.47Å; V121-L310 HydrophobicContact CG1-CB 4.39Å; V121-L310 HydrophobicContact CG1-CD2 3.86Å; K122-L310 HydrophobicContact CG-CD2 4Å; R306-L310 WeakPolarHBondContact O-CB 3.5Å; R306-L310 PolarHBondContact O-N 3.43Å; V308-L310 VanDerWaalsContact C-N 3.28Å; V308-L310 PolarHBondContact O-N 3.22Å; L310-K314 VanDerWaalsContact O-CD 3.27Å; L310-K314 WeakPolarHBondContact O-CD 3.41Å; L310-K314 VanDerWaalsContact O-CG 3.23Å; L310-K314 WeakPolarHBondContact O-CG 3.45Å; L310-K314 PolarHBondContact O-N 3.25Å |
| 311 | Q | 89.6 | Confident | 86.3 | Confident | 101 Ų | 101 | 75.9 Ų | 75.9 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -77.8 | -46.3 | 171.9 | -78 | 169.6 | 73.7 | 0 | 0 | 110.9 | K307 V308 A309 A313 K314 L315 | K307-Q311 VanDerWaalsContact O-CG 3.29Å; K307-Q311 WeakPolarHBondContact O-CG 3.4Å; K307-Q311 PolarHBondContact O-N 3.37Å; K307-Q311 PolarHBondContact O-NE2 2.67Å; V308-Q311 WeakPolarHBondContact O-CA 3.44Å; V308-Q311 WeakPolarHBondContact O-CB 3.4Å; V308-Q311 PolarHBondContact O-N 3.4Å; A309-Q311 VanDerWaalsContact C-N 3.32Å; A309-Q311 PolarHBondContact O-N 2.96Å; Q311-A313 VanDerWaalsContact C-N 3.34Å; Q311-A313 PolarHBondContact O-N 2.85Å; Q311-K314 CarbonylContact O-C 3.54Å; Q311-K314 WeakPolarHBondContact O-CB 3.5Å; Q311-K314 PolarHBondContact O-N 3.41Å; Q311-L315 PolarHBondContact O-N 3.34Å |
| 312 | E | 90 | Very high | 84.9 | Confident | 77 Ų | 77 | 74 Ų | 74 | 36% | 0.36 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -55.3 | -47.6 | 173 | -74.1 | -176.5 | -136 | 0 | 0 | 112.1 | V308 A309 K314 L315 K316 | V308-E312 PolarHBondContact O-N 3.13Å; A309-E312 PolarHBondContact O-N 3.24Å; E312-K314 PolarHBondContact O-N 3.39Å; E312-L315 PolarHBondContact O-N 3.28Å; E312-L315 VanDerWaalsContact O-N 3.08Å; E312-K316 HydrophobicContact CB-CD 4.46Å; E312-K316 WeakPolarHBondContact O-CB 3.31Å; E312-K316 VanDerWaalsContact O-CG 3.31Å; E312-K316 WeakPolarHBondContact O-CG 3.31Å; E312-K316 PolarHBondContact O-N 2.72Å; E312-K316 IonicContact OE2-NZ 2.67Å; E312-K316 PolarHBondContact OE2-NZ 3.3Å |
| 313 | A | 89.3 | Confident | 83.7 | Confident | 52 Ų | 52 | 79 Ų | 79 | 43% | 0.43 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.3 | -35.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | A309 Q311 A317 | A309-A313 WeakPolarHBondContact O-CB 3.35Å; A309-A313 PolarHBondContact O-N 3.46Å; Q311-A313 VanDerWaalsContact C-N 3.34Å; Q311-A313 PolarHBondContact O-N 2.85Å; A313-A317 WeakPolarHBondContact O-CB 3.44Å; A313-A317 PolarHBondContact O-N 3.43Å |
| 314 | K | 88.6 | Confident | 82.2 | Confident | 102 Ų | 102 | 80.2 Ų | 80.2 | 44% | 0.443 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -77.8 | -23.3 | 176.3 | -73.2 | 169.3 | -172.4 | 164.5 | 0 | 114.3 | L310 Q311 E312 K318 | L310-K314 VanDerWaalsContact O-CD 3.27Å; L310-K314 WeakPolarHBondContact O-CD 3.41Å; L310-K314 VanDerWaalsContact O-CG 3.23Å; L310-K314 WeakPolarHBondContact O-CG 3.45Å; L310-K314 PolarHBondContact O-N 3.25Å; Q311-K314 CarbonylContact O-C 3.54Å; Q311-K314 WeakPolarHBondContact O-CB 3.5Å; Q311-K314 PolarHBondContact O-N 3.41Å; E312-K314 PolarHBondContact O-N 3.39Å; K314-K318 WeakPolarHBondContact O-CD 3.24Å; K314-K318 VanDerWaalsContact O-CG 3.24Å; K314-K318 WeakPolarHBondContact O-CG 3.29Å |
| 315 | L | 87 | Confident | 80.9 | Confident | 51 Ų | 51 | 79.8 Ų | 79.8 | 27% | 0.267 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -77.7 | -49 | 170.7 | -68.5 | 171.9 | 0 | 0 | 0 | 109.7 | Q311 E312 A317 K318 G319 L320 | Q311-L315 PolarHBondContact O-N 3.34Å; E312-L315 PolarHBondContact O-N 3.28Å; E312-L315 VanDerWaalsContact O-N 3.08Å; L315-A317 PolarHBondContact O-N 2.85Å; L315-K318 CarbonylContact O-C 3.46Å; L315-K318 WeakPolarHBondContact O-CA 3.24Å; L315-K318 WeakPolarHBondContact O-CB 3.5Å; L315-K318 PolarHBondContact O-N 2.86Å; L315-G319 PolarHBondContact O-N 3.46Å; L315-L320 CarbonylContact C-O 3.59Å; L315-L320 HydrophobicContact CB-CB 4.23Å; L315-L320 HydrophobicContact CD2-CB 4.15Å; L315-L320 HydrophobicContact CD2-CD1 4.2Å; L315-L320 PolarHBondContact O-N 2.9Å |
| 316 | K | 86.7 | Confident | 79.3 | Confident | 129 Ų | 129 | 78.9 Ų | 78.9 | 56% | 0.561 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -54.7 | -47.7 | 174.5 | -70.3 | 162.1 | 178 | 166.6 | 0 | 111.5 | E312 K318 G319 L320 | E312-K316 HydrophobicContact CB-CD 4.46Å; E312-K316 WeakPolarHBondContact O-CB 3.31Å; E312-K316 VanDerWaalsContact O-CG 3.31Å; E312-K316 WeakPolarHBondContact O-CG 3.31Å; E312-K316 PolarHBondContact O-N 2.72Å; E312-K316 IonicContact OE2-NZ 2.67Å; E312-K316 PolarHBondContact OE2-NZ 3.3Å; K316-K318 PolarHBondContact O-N 3.08Å; K316-K318 VanDerWaalsContact O-N 3.13Å; K316-G319 PolarHBondContact O-N 3.47Å; K316-L320 PolarHBondContact N-O 3.32Å |
| 317 | A | 84.4 | Confident | 77.8 | Confident | 91 Ų | 91 | 77.8 Ų | 77.8 | 75% | 0.752 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -5.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A313 L315 | A313-A317 WeakPolarHBondContact O-CB 3.44Å; A313-A317 PolarHBondContact O-N 3.43Å; L315-A317 PolarHBondContact O-N 2.85Å |
| 318 | K | 84.9 | Confident | 76 | Confident | 161 Ų | 161 | 81.9 Ų | 81.9 | 70% | 0.7 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 5.8 | 172.3 | -75.1 | -179.5 | 174.7 | -167.2 | 0 | 113.2 | K314 L315 K316 L320 | K314-K318 WeakPolarHBondContact O-CD 3.24Å; K314-K318 VanDerWaalsContact O-CG 3.24Å; K314-K318 WeakPolarHBondContact O-CG 3.29Å; L315-K318 CarbonylContact O-C 3.46Å; L315-K318 WeakPolarHBondContact O-CA 3.24Å; L315-K318 WeakPolarHBondContact O-CB 3.5Å; L315-K318 PolarHBondContact O-N 2.86Å; K316-K318 PolarHBondContact O-N 3.08Å; K316-K318 VanDerWaalsContact O-N 3.13Å; K318-L320 VanDerWaalsContact C-N 3.29Å; K318-L320 HydrophobicContact CB-CD1 3.95Å; K318-L320 HydrophobicContact CB-CG 4.3Å; K318-L320 HydrophobicContact CD-CD1 4.37Å; K318-L320 PolarHBondContact O-N 3.26Å |
| 319 | G | 70.3 | Confident | 74.1 | Confident | 39 Ų | 39 | 83.4 Ų | 83.4 | 40% | 0.402 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 29.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L315 K316 P326 A327 | L315-G319 PolarHBondContact O-N 3.46Å; K316-G319 PolarHBondContact O-N 3.47Å; G319-P326 WeakPolarHBondContact O-CA 3.37Å; G319-A327 PolarHBondContact O-N 3.36Å |
| 320 | L | 65.2 | Low | 71.6 | Confident | 51 Ų | 51 | 87.4 Ų | 87.4 | 27% | 0.267 | 51% | 0.513 | S | S | . | . | B | Isolated β-bridge | trans | -114.4 | 135.5 | 179.1 | -66.7 | 163.5 | 0 | 0 | 0 | 110.4 | L315 K316 K318 G324 T325 | L315-L320 CarbonylContact C-O 3.59Å; L315-L320 HydrophobicContact CB-CB 4.23Å; L315-L320 HydrophobicContact CD2-CB 4.15Å; L315-L320 HydrophobicContact CD2-CD1 4.2Å; L315-L320 PolarHBondContact O-N 2.9Å; K316-L320 PolarHBondContact N-O 3.32Å; K318-L320 VanDerWaalsContact C-N 3.29Å; K318-L320 HydrophobicContact CB-CD1 3.95Å; K318-L320 HydrophobicContact CB-CG 4.3Å; K318-L320 HydrophobicContact CD-CD1 4.37Å; K318-L320 PolarHBondContact O-N 3.26Å; L320-G324 WeakPolarHBondContact CD2-O 3.47Å; L320-T325 WeakPolarHBondContact CA-O 3.36Å |
| 321 | N | 59.1 | Low | 69.6 | Low | 62 Ų | 62 | 93.6 Ų | 93.6 | 33% | 0.332 | 55% | 0.545 | S | S | . | . | trans | -65.7 | 163.6 | 166.8 | -72 | -38.1 | 0 | 0 | 0 | 110.8 | D323 G324 T325 | N321-D323 PolarHBondContact O-N 3.08Å; N321-D323 VanDerWaalsContact O-N 3.15Å; N321-G324 PolarHBondContact O-N 2.99Å; N321-T325 WeakPolarHBondContact CB-O 3.4Å; N321-T325 WeakPolarHBondContact CB-OG1 3.31Å; N321-T325 PolarHBondContact N-O 3.36Å; N321-T325 PolarHBondContact ND2-OG1 3.06Å | ||
| 322 | P | 61.2 | Low | 67.3 | Low | 89 Ų | 89 | 92.6 Ų | 92.6 | 58% | 0.578 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | -35.4 | 174.4 | 19.6 | -33.5 | 0 | 0 | 0 | 113.6 | G324 | P322-G324 PolarHBondContact O-N 3.46Š|
| 323 | D | 66.7 | Low | 64.7 | Low | 143 Ų | 143 | 92.5 Ų | 92.5 | 77% | 0.765 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 3.2 | 179.9 | -49 | -57.1 | 0 | 0 | 0 | 114.2 | N321 T325 | N321-D323 PolarHBondContact O-N 3.08Å; N321-D323 VanDerWaalsContact O-N 3.15Å; D323-T325 VanDerWaalsContact C-N 3.29Å; D323-T325 PolarHBondContact O-N 3.1Å |
| 324 | G | 61.1 | Low | 62.3 | Low | 44 Ų | 44 | 100.1 Ų | 100.1 | 45% | 0.454 | 61% | 0.605 | S | S | . | * | S | Bend | trans | 77.7 | 5.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L320 N321 P322 | L320-G324 WeakPolarHBondContact CD2-O 3.47Å; N321-G324 PolarHBondContact O-N 2.99Å; P322-G324 PolarHBondContact O-N 3.46Å |
| 325 | T | 64.8 | Low | 60.4 | Low | 72 Ų | 72 | 100.7 Ų | 100.7 | 44% | 0.442 | 62% | 0.622 | S | S | . | * | trans | -73.9 | 145 | 166.9 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | L320 N321 D323 A327 | L320-T325 WeakPolarHBondContact CA-O 3.36Å; N321-T325 WeakPolarHBondContact CB-O 3.4Å; N321-T325 WeakPolarHBondContact CB-OG1 3.31Å; N321-T325 PolarHBondContact N-O 3.36Å; N321-T325 PolarHBondContact ND2-OG1 3.06Å; D323-T325 VanDerWaalsContact C-N 3.29Å; D323-T325 PolarHBondContact O-N 3.1Å; T325-A327 PolarHBondContact O-N 3.02Å | ||
| 326 | P | 59.7 | Low | 58.4 | Low | 104 Ų | 104 | 104.1 Ų | 104.1 | 68% | 0.675 | 65% | 0.648 | S | S | * | * | B | Isolated β-bridge | trans | -63.3 | 134 | 172.5 | 27.1 | -33.6 | 0 | 0 | 0 | 110.3 | G319 L328 | G319-P326 WeakPolarHBondContact O-CA 3.37Å; P326-L328 PolarHBondContact O-N 3.44Å |
| 327 | A | 59 | Low | 56.3 | Low | 43 Ų | 43 | 103 Ų | 103 | 36% | 0.355 | 66% | 0.662 | S | S | . | * | trans | -74.4 | 113.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | G319 T325 S329 | G319-A327 PolarHBondContact O-N 3.36Å; T325-A327 PolarHBondContact O-N 3.02Å; A327-S329 VanDerWaalsContact C-N 3.34Å; A327-S329 PolarHBondContact O-N 2.99Å | ||
| 328 | L | 55 | Low | 54.7 | Low | 160 Ų | 160 | 103.8 Ų | 103.8 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | trans | -70.6 | 88.2 | 177 | -174.6 | 68.1 | 0 | 0 | 0 | 110.1 | P326 T330 | P326-L328 PolarHBondContact O-N 3.44Å; L328-T330 PolarHBondContact O-N 2.74Å; L328-T330 PolarHBondContact O-OG1 2.81Å | ||
| 329 | S | 51.7 | Low | 53 | Low | 99 Ų | 99 | 106.2 Ų | 106.2 | 69% | 0.692 | 67% | 0.673 | S | S | * | * | trans | -62.7 | 104.3 | 178.8 | 54.3 | 0 | 0 | 0 | 0 | 110.7 | A327 L331 | A327-S329 VanDerWaalsContact C-N 3.34Å; A327-S329 PolarHBondContact O-N 2.99Å; S329-L331 VanDerWaalsContact C-N 3.33Å; S329-L331 PolarHBondContact O-N 3.07Å | ||
| 330 | T | 40.3 | Very low | 51.5 | Low | 134 Ų | 134 | 110.2 Ų | 110.2 | 82% | 0.822 | 69% | 0.691 | S | S | * | * | trans | -78.7 | 78.9 | -176.6 | -51.9 | 0 | 0 | 0 | 0 | 110.8 | L328 | L328-T330 PolarHBondContact O-N 2.74Å; L328-T330 PolarHBondContact O-OG1 2.81Å | ||
| 331 | L | 47.7 | Very low | 50.4 | Low | 162 Ų | 162 | 113.6 Ų | 113.6 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | trans | -131.9 | 136.5 | 166.4 | -85.7 | 91.9 | 0 | 0 | 0 | 109.7 | S329 | S329-L331 VanDerWaalsContact C-N 3.33Å; S329-L331 PolarHBondContact O-N 3.07Å | ||
| 332 | G | 41.1 | Very low | 49.9 | Very low | 80 Ų | 80 | 115.7 Ų | 115.7 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 88.5 | 93.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 333 | G | 34.6 | Very low | 49 | Very low | 74 Ų | 74 | 117.2 Ų | 117.2 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | trans | -85.6 | 130.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 334 | F | 40.3 | Very low | 48 | Very low | 212 Ų | 212 | 122.3 Ų | 122.3 | 93% | 0.93 | 76% | 0.758 | S | S | * | * | trans | -134.5 | 130.1 | 157.3 | -89 | -84.8 | 0 | 0 | 0 | 108.8 | ||||
| 335 | S | 48.1 | Very low | 47.1 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 149.4 | -173.4 | -55 | 0 | 0 | 0 | 0 | 112.7 | A337 | S335-A337 PolarHBondContact O-N 3.37Š|
| 336 | P | 44.7 | Very low | 46.1 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 119 | -179.4 | 29.3 | -34.3 | 0 | 0 | 0 | 111.9 | ||
| 337 | A | 43.4 | Very low | 45.2 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 119.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S335 | S335-A337 PolarHBondContact O-N 3.37Š|
| 338 | S | 49.3 | Very low | 44.2 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 146.6 | -173.4 | -41.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 339 | K | 49.5 | Very low | 43.5 | Very low | 213 Ų | 213 | 136.3 Ų | 136.3 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -142.6 | 101.2 | 159.3 | -76.6 | -166.8 | 177 | -177.1 | 0 | 112.1 | ||||
| 340 | P | 38.6 | Very low | 42.9 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -104.8 | 114.7 | 167.7 | 33.8 | -24.7 | 0 | 0 | 0 | 111.6 | ||||
| 341 | S | 42 | Very low | 43 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -178 | 133.2 | 171.9 | 175.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 342 | S | 49.5 | Very low | 43 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | cis | -156.9 | 143.3 | -6.8 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 343 | P | 41.5 | Very low | 43 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -98.6 | 147.8 | 176 | 36.6 | -31.5 | 0 | 0 | 0 | 113.1 | ||||
| 344 | R | 45.7 | Very low | 43.4 | Very low | 250 Ų | 250 | 142.5 Ų | 142.5 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | -153.1 | 127.9 | 160.4 | -146.6 | 178.5 | -175.9 | 173.9 | 1.6 | 112.9 | ||||
| 345 | E | 41.7 | Very low | 43.4 | Very low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -79.7 | 174.6 | 167.3 | -51.4 | 167.1 | 134.9 | 0 | 0 | 109.7 | ||||
| 346 | V | 44 | Very low | 43.3 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | cis | -132.6 | -162.3 | -0.1 | -131.9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 347 | K | 40.9 | Very low | 43.1 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 65% | 0.648 | 79% | 0.786 | S | S | * | * | cis | -149.9 | 171.9 | 12.4 | -170.4 | -125.4 | 168.1 | -164 | 0 | 107.9 | E349 | K347-E349 IonicContact NZ-OE1 3.23Å; K347-E349 PolarHBondContact NZ-OE1 2.84Å; K347-E349 IonicContact NZ-OE2 3.19Å; K347-E349 PolarHBondContact NZ-OE2 3.42Å | ||
| 348 | A | 38.1 | Very low | 43 | Very low | 78 Ų | 78 | 141.2 Ų | 141.2 | 65% | 0.645 | 77% | 0.774 | S | S | * | * | trans | -109.3 | 152.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 349 | E | 40.8 | Very low | 42.7 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -156.4 | -173.3 | 146.3 | -132.1 | 150.4 | -130.1 | 0 | 0 | 111 | K347 | K347-E349 IonicContact NZ-OE1 3.23Å; K347-E349 PolarHBondContact NZ-OE1 2.84Å; K347-E349 IonicContact NZ-OE2 3.19Å; K347-E349 PolarHBondContact NZ-OE2 3.42Å | ||
| 350 | E | 39.2 | Very low | 42.1 | Very low | 148 Ų | 148 | 142 Ų | 142 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | -135 | 172.3 | -139.7 | -160.4 | -172 | -143.7 | 0 | 0 | 114.2 | ||||
| 351 | K | 42.6 | Very low | 42.2 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | 73.5 | 148.7 | 173.2 | -64.6 | 119.3 | 176.3 | 154 | 0 | 116.1 | ||||
| 352 | S | 47.6 | Very low | 42 | Very low | 108 Ų | 108 | 146.7 Ų | 146.7 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | -158 | 168 | -8.9 | -100 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 353 | P | 40.9 | Very low | 41.5 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | -111.1 | -177.9 | -167.2 | 41.1 | -34.2 | 0 | 0 | 0 | 117.1 | ||||
| 354 | I | 43.6 | Very low | 41.4 | Very low | 149 Ų | 149 | 153.4 Ų | 153.4 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 84 | 117.5 | 168.8 | -50 | 159.4 | 0 | 0 | 0 | 114.2 | ||||
| 355 | S | 40.1 | Very low | 41 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | -163.6 | 151.8 | 87 | -66.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 356 | I | 44.8 | Very low | 41 | Very low | 145 Ų | 145 | 148 Ų | 148 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | -64.8 | 146.8 | -176.7 | -64 | 149.1 | 0 | 0 | 0 | 115 | V358 | I356-V358 HydrophobicContact CG2-CG2 3.86Š| ||
| 357 | N | 41 | Very low | 40.5 | Very low | 163 Ų | 163 | 147 Ų | 147 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -148.9 | 159.6 | 134.6 | -145.9 | -23.4 | 0 | 0 | 0 | 112.1 | ||||
| 358 | V | 41.9 | Very low | 40.2 | Very low | 102 Ų | 102 | 149.3 Ų | 149.3 | 62% | 0.618 | 78% | 0.775 | S | S | * | * | trans | -123.8 | 142.3 | -158.6 | 176.1 | 0 | 0 | 0 | 0 | 113 | I356 | I356-V358 HydrophobicContact CG2-CG2 3.86Š| ||
| 359 | K | 42 | Very low | 40.2 | Very low | 212 Ų | 212 | 154.9 Ų | 154.9 | 92% | 0.922 | 79% | 0.787 | S | S | * | * | trans | -155.8 | 152.2 | 146.7 | -113.5 | 159.8 | -171.7 | 174.2 | 0 | 112.8 | ||||
| 360 | T | 37.7 | Very low | 40 | Very low | 126 Ų | 126 | 155.6 Ų | 155.6 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -115.3 | 137.5 | -159.6 | 13.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 361 | V | 41.2 | Very low | 39.8 | Very low | 151 Ų | 151 | 153.5 Ų | 153.5 | 92% | 0.915 | 80% | 0.799 | S | S | * | * | trans | -145 | 161.1 | 142 | 176 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 362 | K | 38.1 | Very low | 39.7 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -141.1 | 160 | -160.3 | -172.9 | 176.9 | -177.9 | 177.6 | 0 | 112.9 | ||||
| 363 | K | 38.7 | Very low | 39.3 | Very low | 192 Ų | 192 | 156 Ų | 156 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 86 | 151.5 | 178.7 | -67.7 | -172.6 | 171 | -171.6 | 0 | 115.7 | ||||
| 364 | E | 38.9 | Very low | 39.6 | Very low | 175 Ų | 175 | 156.8 Ų | 156.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | cis | 171.2 | 154.5 | -34.6 | -101.9 | -68.8 | 95.3 | 0 | 0 | 105 | ||||
| 365 | P | 37.4 | Very low | 39.6 | Very low | 107 Ų | 107 | 155.5 Ų | 155.5 | 70% | 0.695 | 82% | 0.821 | S | S | * | * | trans | -92 | 161 | -168.5 | 36.2 | -35.1 | 0 | 0 | 0 | 114.9 | ||||
| 366 | E | 40.9 | Very low | 39.8 | Very low | 205 Ų | 205 | 160 Ų | 160 | 96% | 0.958 | 82% | 0.821 | S | S | * | * | trans | -131.5 | 158.4 | 168.5 | -90.9 | -164.7 | 113.5 | 0 | 0 | 113.5 | ||||
| 367 | D | 35.1 | Very low | 39.8 | Very low | 117 Ų | 117 | 158.9 Ų | 158.9 | 63% | 0.626 | 82% | 0.817 | S | S | * | * | trans | -108.7 | 164.7 | -170.4 | -176.1 | 30.3 | 0 | 0 | 0 | 112.2 | ||||
| 368 | R | 34.3 | Very low | 39.7 | Very low | 196 Ų | 196 | 154 Ų | 154 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | trans | 29.6 | 125.7 | 160.2 | -78.2 | 169.9 | 178.3 | 122.1 | -13 | 119.6 | ||||
| 369 | Q | 38.5 | Very low | 40 | Very low | 195 Ų | 195 | 156 Ų | 156 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | -169.6 | 161 | 105.1 | -107.1 | 150.3 | 101.6 | 0 | 0 | 115.9 | |||||
| 370 | Q | 36.6 | Very low | 39.9 | Very low | 192 Ų | 192 | 157 Ų | 157 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -101.5 | 142.7 | 170.3 | -54.6 | 166.4 | -66.5 | 0 | 0 | 109.8 | ||||
| 371 | A | 34.7 | Very low | 40.1 | Very low | 105 Ų | 105 | 158.9 Ų | 158.9 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | -165.1 | 144.2 | 147.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 372 | S | 40.8 | Very low | 40.2 | Very low | 121 Ų | 121 | 157.2 Ų | 157.2 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -87 | 156 | 175.6 | 50.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 373 | K | 37.8 | Very low | 40.4 | Very low | 210 Ų | 210 | 151.3 Ų | 151.3 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | trans | -122.4 | 122.2 | 170.5 | -69.8 | -177.6 | 179.5 | 177.4 | 0 | 112.6 | ||||
| 374 | S | 47.3 | Very low | 40.8 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -158 | 152.4 | 138.6 | 61.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 375 | P | 44.8 | Very low | 40.9 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -129.8 | -179.9 | -152.3 | 41.2 | -25.3 | 0 | 0 | 0 | 116.9 | ||||
| 376 | Y | 43.6 | Very low | 41 | Very low | 213 Ų | 213 | 153.7 Ų | 153.7 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 77 | 150.9 | 162.8 | -121.8 | -141.5 | 0 | 0 | 0 | 116.3 | ||||
| 377 | N | 43.7 | Very low | 41.1 | Very low | 121 Ų | 121 | 154.8 Ų | 154.8 | 65% | 0.647 | 78% | 0.779 | S | S | * | * | cis | -149.8 | 158.1 | 7.9 | -167.9 | 7.3 | 0 | 0 | 0 | 112 | ||||
| 378 | G | 40.3 | Very low | 41.3 | Very low | 60 Ų | 60 | 155.7 Ų | 155.7 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | trans | 63.7 | 145.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 379 | V | 47.7 | Very low | 41.7 | Very low | 143 Ų | 143 | 150.9 Ų | 150.9 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | cis | -145 | 147.6 | -4.1 | 174.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 380 | R | 39.2 | Very low | 41.9 | Very low | 235 Ų | 235 | 153.3 Ų | 153.3 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -127.8 | 151.5 | 157 | -70 | -175.9 | 176.4 | -175.2 | -0.6 | 106.4 | ||||
| 381 | K | 42.3 | Very low | 42.2 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | -171.3 | 171 | 65.8 | -133.5 | 160.9 | 122.1 | -93.6 | 0 | 106.1 | |||||
| 382 | D | 44.3 | Very low | 42.5 | Very low | 117 Ų | 117 | 149.9 Ų | 149.9 | 63% | 0.626 | 78% | 0.778 | S | S | * | * | cis | -170.6 | 178.3 | 42.4 | -106.7 | -49.9 | 0 | 0 | 0 | 107.1 | ||||
| 383 | S | 42.7 | Very low | 42.6 | Very low | 68 Ų | 68 | 149.5 Ų | 149.5 | 48% | 0.476 | 78% | 0.776 | S | S | . | * | cis | -171.4 | 133.5 | -40.7 | -109.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 384 | K | 45.4 | Very low | 42.8 | Very low | 188 Ų | 188 | 151.7 Ų | 151.7 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | trans | 67.5 | 162 | 162.4 | -52.4 | 160.2 | -174 | 170.5 | 0 | 113.5 | ||||
| 385 | R | 41.8 | Very low | 42.6 | Very low | 237 Ų | 237 | 151.5 Ų | 151.5 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | cis | -147.8 | 144.9 | 1.1 | -142.7 | 167.6 | -171.5 | 176.7 | -0.1 | 109.6 | ||||
| 386 | S | 39.1 | Very low | 42.5 | Very low | 99 Ų | 99 | 157.9 Ų | 157.9 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -85.5 | 151.6 | 175 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 387 | R | 43.3 | Very low | 42.3 | Very low | 227 Ų | 227 | 153 Ų | 153 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | -176.8 | 136 | 119 | -102.7 | 164.9 | -176.5 | 175.4 | 0.2 | 115.7 | |||||
| 388 | N | 40.2 | Very low | 42.3 | Very low | 137 Ų | 137 | 159.4 Ų | 159.4 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | 48.8 | 104.8 | 138.7 | -70.4 | 35.6 | 0 | 0 | 0 | 122.3 | ||||
| 389 | S | 42.7 | Very low | 42.3 | Very low | 95 Ų | 95 | 162.2 Ų | 162.2 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | 49 | 128.3 | 117.6 | 69.9 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 390 | R | 42.1 | Very low | 42 | Very low | 246 Ų | 246 | 166.6 Ų | 166.6 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | -162.5 | 161.9 | 106 | -106.8 | 164.2 | -179.4 | 173.5 | -1.1 | 113.1 | |||||
| 391 | S | 42.8 | Very low | 42.3 | Very low | 117 Ų | 117 | 160.9 Ų | 160.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -80.2 | 147.1 | -173.3 | 49.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 392 | A | 41.8 | Very low | 42 | Very low | 107 Ų | 107 | 164.4 Ų | 164.4 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | trans | -151.1 | 129.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 393 | S | 41.6 | Very low | 42.1 | Very low | 114 Ų | 114 | 165 Ų | 165 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -93.3 | 147.8 | 177.6 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 394 | R | 42.5 | Very low | 41.9 | Very low | 255 Ų | 255 | 173.8 Ų | 173.8 | 96% | 0.962 | 85% | 0.845 | S | S | * | * | trans | -157 | 117.1 | 150.3 | -112.7 | 156.9 | -168.6 | -174.5 | 2.7 | 113.1 | ||||
| 395 | S | 42.2 | Very low | 42 | Very low | 116 Ų | 116 | 171 Ų | 171 | 81% | 0.811 | 85% | 0.849 | S | S | * | * | trans | -82.7 | 147 | 174.9 | 49.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 396 | R | 42.8 | Very low | 41.8 | Very low | 256 Ų | 256 | 168 Ų | 168 | 97% | 0.966 | 85% | 0.845 | S | S | * | * | trans | -145.7 | 108.8 | 159.6 | -107.4 | 176.2 | -177.5 | 172.9 | 0.8 | 111.8 | ||||
| 397 | S | 39.8 | Very low | 42.3 | Very low | 111 Ų | 111 | 169.6 Ų | 169.6 | 78% | 0.776 | 85% | 0.85 | S | S | * | * | trans | -86.4 | 147.2 | 171.7 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 398 | R | 43.5 | Very low | 42.1 | Very low | 255 Ų | 255 | 164 Ų | 164 | 96% | 0.962 | 84% | 0.844 | S | S | * | * | trans | -150.6 | 155.4 | 156.8 | -106.9 | 163 | -170 | 175.3 | 0.7 | 110 | ||||
| 399 | T | 40.5 | Very low | 42.2 | Very low | 119 Ų | 119 | 169.5 Ų | 169.5 | 73% | 0.73 | 85% | 0.854 | S | S | * | * | trans | -131.8 | 174.1 | -162.6 | 54.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 400 | R | 41.2 | Very low | 42 | Very low | 235 Ų | 235 | 176.3 Ų | 176.3 | 89% | 0.887 | 87% | 0.865 | S | S | * | * | trans | 73.3 | 150.1 | 174.6 | -57.9 | 174.2 | 172.8 | 178.4 | -3.3 | 113.5 | ||||
| 401 | S | 45.5 | Very low | 41.7 | Very low | 115 Ų | 115 | 172.9 Ų | 172.9 | 80% | 0.804 | 86% | 0.86 | S | S | * | * | cis | -146 | 173.8 | 11.4 | -131.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 402 | R | 37.3 | Very low | 41.4 | Very low | 239 Ų | 239 | 174.8 Ų | 174.8 | 90% | 0.902 | 86% | 0.861 | S | S | * | * | trans | -60.9 | 153.3 | 178.9 | -63.7 | 166.7 | 168.8 | 159.2 | -6.4 | 114 | ||||
| 403 | S | 46.4 | Very low | 41 | Very low | 129 Ų | 129 | 177.8 Ų | 177.8 | 90% | 0.902 | 86% | 0.856 | S | S | * | * | trans | -155.2 | 155.2 | 132.5 | -88.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 404 | R | 38.4 | Very low | 40.9 | Very low | 252 Ų | 252 | 178 Ų | 178 | 95% | 0.951 | 85% | 0.853 | S | S | * | * | trans | -105.5 | 141.7 | -179.1 | -71.7 | 173.6 | 168.5 | 168.6 | -6.9 | 110.4 | ||||
| 405 | S | 47 | Very low | 40.4 | Very low | 129 Ų | 129 | 171.9 Ų | 171.9 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -147.4 | 158.2 | 151.5 | 58.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 406 | H | 37.6 | Very low | 40.3 | Very low | 174 Ų | 174 | 174 Ų | 174 | 81% | 0.806 | 84% | 0.84 | S | S | * | * | trans | -140.5 | 121.3 | -160.2 | 173 | 64.2 | 0 | 0 | 0 | 110.6 | ||||
| 407 | T | 49.7 | Very low | 39.9 | Very low | 133 Ų | 133 | 172 Ų | 172 | 82% | 0.816 | 83% | 0.832 | S | S | * | * | trans | -147.4 | 128.3 | 166.6 | 32.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 408 | P | 38.5 | Very low | 39.7 | Very low | 110 Ų | 110 | 172.2 Ų | 172.2 | 71% | 0.714 | 83% | 0.833 | S | S | * | * | trans | -83.1 | 146.1 | 170 | 33.3 | -32.6 | 0 | 0 | 0 | 110.7 | ||||
| 409 | R | 41.7 | Very low | 39.8 | Very low | 252 Ų | 252 | 166.3 Ų | 166.3 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | trans | -119.5 | 145.2 | 159.2 | -89.3 | -167.5 | 168.1 | -156.1 | -4.1 | 110.3 | ||||
| 410 | R | 39.9 | Very low | 39.5 | Very low | 239 Ų | 239 | 163.8 Ų | 163.8 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -76.4 | 163.7 | -164.3 | -68.8 | 180 | 171.3 | -176.2 | -4 | 113 | ||||
| 411 | Q | 34 | Very low | 39.2 | Very low | 173 Ų | 173 | 162.4 Ų | 162.4 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | trans | -60.5 | 152 | 157.4 | -59.3 | 141.8 | -60 | 0 | 0 | 110.2 | ||||
| 412 | D | 37.7 | Very low | 38.9 | Very low | 157 Ų | 157 | 161.7 Ų | 161.7 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -148.3 | 93.8 | 144.9 | -94.2 | -45.6 | 0 | 0 | 0 | 108 | V414 | D412-V414 PolarHBondContact O-N 3.31Š| ||
| 413 | E | 33.9 | Very low | 38.9 | Very low | 170 Ų | 170 | 161.8 Ų | 161.8 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -80.2 | 98.8 | 166.1 | -79.1 | -162.8 | 107 | 0 | 0 | 109.4 | L415 | E413-L415 PolarHBondContact O-N 3.35Š| ||
| 414 | V | 38.1 | Very low | 38.8 | Very low | 120 Ų | 120 | 162.2 Ų | 162.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -90.2 | 80.5 | 166.9 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | D412 L416 | D412-V414 PolarHBondContact O-N 3.31Å; V414-L416 PolarHBondContact O-N 3.12Å | ||
| 415 | L | 33.5 | Very low | 39.1 | Very low | 125 Ų | 125 | 156 Ų | 156 | 65% | 0.654 | 81% | 0.805 | S | S | * | * | trans | -74.2 | 89 | 179.4 | -158.8 | 146.9 | 0 | 0 | 0 | 109.5 | E413 R417 | E413-L415 PolarHBondContact O-N 3.35Å; L415-R417 HydrophobicContact CD2-CB 4.01Å; L415-R417 HydrophobicContact CD2-CG 4.38Å; L415-R417 PolarHBondContact O-N 2.91Å | ||
| 416 | L | 40 | Very low | 38.6 | Very low | 162 Ų | 162 | 153.6 Ų | 153.6 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -68.5 | 75.1 | -179.6 | -110.9 | 165.9 | 0 | 0 | 0 | 111.5 | V414 C418 | V414-L416 PolarHBondContact O-N 3.12Å; L416-C418 PolarHBondContact O-N 3.26Å | ||
| 417 | R | 33.5 | Very low | 39 | Very low | 213 Ų | 213 | 153.9 Ų | 153.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -73.6 | 112.9 | -174.5 | -165.4 | -177.6 | -165.6 | -158.1 | 6.3 | 110.2 | L415 P419 | L415-R417 HydrophobicContact CD2-CB 4.01Å; L415-R417 HydrophobicContact CD2-CG 4.38Å; L415-R417 PolarHBondContact O-N 2.91Å; R417-P419 VanDerWaalsContact O-CD 3.31Å; R417-P419 WeakPolarHBondContact O-CD 3.41Å | ||
| 418 | C | 36.8 | Very low | 38.3 | Very low | 116 Ų | 116 | 160.7 Ų | 160.7 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 123.7 | 174.5 | -57.2 | 0 | 0 | 0 | 0 | 111 | L416 G420 | L416-C418 PolarHBondContact O-N 3.26Å; C418-G420 PolarHBondContact O-N 2.66Å |
| 419 | P | 44.4 | Very low | 38.3 | Very low | 130 Ų | 130 | 163.2 Ų | 163.2 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 118.5 | 170.3 | -20.4 | 33.8 | 0 | 0 | 0 | 109.9 | R417 | R417-P419 VanDerWaalsContact O-CD 3.31Å; R417-P419 WeakPolarHBondContact O-CD 3.41Å |
| 420 | G | 33.8 | Very low | 38.1 | Very low | 67 Ų | 67 | 158.5 Ų | 158.5 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 131.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | C418 S422 | C418-G420 PolarHBondContact O-N 2.66Å; G420-S422 PolarHBondContact O-N 3.23Å; G420-S422 VanDerWaalsContact O-N 3.08Å |
| 421 | R | 36 | Very low | 38 | Very low | 205 Ų | 205 | 154.1 Ų | 154.1 | 77% | 0.774 | 82% | 0.82 | S | S | * | * | trans | -54.2 | 114.4 | 171.6 | -87.4 | -173.2 | 166.7 | -149.1 | -4.3 | 110.1 | R291 | R291-R421 PolarHBondContact O-NH2 2.82Š| ||
| 422 | S | 38.4 | Very low | 38.3 | Very low | 101 Ų | 101 | 152.9 Ų | 152.9 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -153 | 142.1 | 163.3 | 71 | 0 | 0 | 0 | 0 | 112.7 | G420 | G420-S422 PolarHBondContact O-N 3.23Å; G420-S422 VanDerWaalsContact O-N 3.08Å | ||
| 423 | R | 38.9 | Very low | 38.3 | Very low | 241 Ų | 241 | 152.7 Ų | 152.7 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | 60.9 | 92.6 | 161.3 | -60.7 | -178 | -179.6 | -154.7 | -2.6 | 118.3 | ||||
| 424 | T | 43.1 | Very low | 38.6 | Very low | 137 Ų | 137 | 151.5 Ų | 151.5 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 133.9 | 143.5 | 46.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 425 | P | 45.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 153.8 Ų | 153.8 | 79% | 0.792 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 140 | 150.9 | 0.2 | 18.9 | 0 | 0 | 0 | 109.2 | ||
| 426 | G | 36.5 | Very low | 39 | Very low | 79 Ų | 79 | 156 Ų | 156 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 133.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 427 | L | 44.7 | Very low | 38.9 | Very low | 179 Ų | 179 | 155.5 Ų | 155.5 | 94% | 0.937 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 131.4 | 167.1 | -82.1 | 160.1 | 0 | 0 | 0 | 109.7 | ||
| 428 | K | 36 | Very low | 39.4 | Very low | 276 Ų | 276 | 150.3 Ų | 150.3 | 100% | 1.2 | 85% | 0.845 | S | S | * | * | trans | -95.6 | 0 | 146.6 | -84.3 | -171.3 | 171.9 | -173.5 | 0 | 107.7 |
Retrieved 428 of 428 residues in 518.5 ms
(Link to these results)