| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.6 | Very low | 43.1 | Very low | 234 Ų | 234 | 152.2 Ų | 152.2 | 100% | 1.153 | 83% | 0.834 | S | S | * | * | 0 | 71.9 | 0 | -61.6 | -170.7 | 71.9 | 0 | 0 | 106.7 | |||||
| 2 | T | 42.6 | Very low | 42.6 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 87% | 0.871 | 83% | 0.831 | S | S | * | * | 78.9 | 98.3 | 104.2 | -33.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 3 | E | 43.8 | Very low | 42.6 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -60.3 | 127.4 | 173.5 | -65 | 168.6 | 155.4 | 0 | 0 | 110.8 | S5 | E3-S5 PolarHBondContact O-N 3.49Š| ||
| 4 | G | 42.7 | Very low | 42 | Very low | 81 Ų | 81 | 148.3 Ų | 148.3 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -84.8 | 85.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q6 | G4-Q6 PolarHBondContact O-N 2.81Š| ||
| 5 | S | 44.9 | Very low | 41.7 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 67% | 0.671 | 83% | 0.829 | S | S | * | * | trans | -72.2 | 108.6 | 168.9 | -69.5 | 0 | 0 | 0 | 0 | 109.8 | E3 I7 | E3-S5 PolarHBondContact O-N 3.49Å; S5-I7 PolarHBondContact O-N 2.78Å | ||
| 6 | Q | 49 | Very low | 41.1 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | trans | -82.9 | 102.2 | 168.8 | -92 | 175.2 | -2 | 0 | 0 | 109.7 | G4 | G4-Q6 PolarHBondContact O-N 2.81Š| ||
| 7 | I | 49.6 | Very low | 40.9 | Very low | 139 Ų | 139 | 144 Ų | 144 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -83.7 | 117.8 | 173.9 | -63.3 | 166.5 | 0 | 0 | 0 | 107.8 | S5 L9 | S5-I7 PolarHBondContact O-N 2.78Å; I7-L9 PolarHBondContact O-N 3.03Å | ||
| 8 | F | 38.1 | Very low | 40.7 | Very low | 192 Ų | 192 | 143.7 Ų | 143.7 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | -78.8 | 114.4 | 168.1 | -76.7 | -89 | 0 | 0 | 0 | 109.3 | ||||
| 9 | L | 38.9 | Very low | 40.7 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | trans | -87.1 | 115.6 | 171.9 | -77.7 | 161.8 | 0 | 0 | 0 | 109.6 | I7 | I7-L9 PolarHBondContact O-N 3.03Š| ||
| 10 | L | 40.3 | Very low | 40.4 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | trans | -87.9 | 139.8 | 163.2 | -78.3 | 162.2 | 0 | 0 | 0 | 109.3 | I12 | L10-I12 PolarHBondContact O-N 3.18Š| ||
| 11 | P | 42.8 | Very low | 40.3 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -74 | 122.5 | 174.2 | 25.1 | -25 | 0 | 0 | 0 | 110.8 | ||||
| 12 | I | 37 | Very low | 40.5 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 80% | 0.795 | 79% | 0.788 | S | S | * | * | trans | -84.7 | 110.2 | 166.8 | -61.8 | 166.2 | 0 | 0 | 0 | 106.7 | L10 T14 | L10-I12 PolarHBondContact O-N 3.18Å; I12-T14 PolarHBondContact O-N 3.37Å | ||
| 13 | S | 41.9 | Very low | 40 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -80.3 | 110 | 166.8 | -82.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 14 | T | 34.3 | Very low | 40.3 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | trans | -72.7 | 134.4 | 167.3 | 47.5 | 0 | 0 | 0 | 0 | 110.4 | I12 | I12-T14 PolarHBondContact O-N 3.37Š| ||
| 15 | S | 38.6 | Very low | 39.7 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -53.4 | 138.4 | 164.9 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 16 | D | 30.9 | Very low | 39.2 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -133.9 | 139.4 | 149.6 | -155.4 | 1.7 | 0 | 0 | 0 | 110 | ||||
| 17 | S | 38 | Very low | 39.2 | Very low | 90 Ų | 90 | 134.7 Ų | 134.7 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | trans | -114 | 120.8 | -164.6 | 146.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 18 | T | 37.3 | Very low | 38.9 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -128 | 123.2 | 163.4 | -44.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 19 | K | 41.7 | Very low | 39.5 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -82.3 | 139.8 | -172.3 | -75.7 | 177.4 | 171.5 | 175.7 | 0 | 113.6 | ||||
| 20 | E | 34.6 | Very low | 40.2 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | 69 | 148.2 | 134.5 | -73.2 | -104.1 | 152 | 0 | 0 | 119.9 | L22 | E20-L22 VanDerWaalsContact OE2-CD1 3.28Å; E20-L22 WeakPolarHBondContact OE2-CD1 3.32Å | ||
| 21 | P | 38.6 | Very low | 41 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -136.8 | 162.3 | 41.6 | 36.5 | -16.1 | 0 | 0 | 0 | 118.6 | ||||
| 22 | L | 44.1 | Very low | 42.2 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | trans | -35.2 | 134.8 | 164.3 | -92.1 | 84.5 | 0 | 0 | 0 | 114.4 | E20 | E20-L22 VanDerWaalsContact OE2-CD1 3.28Å; E20-L22 WeakPolarHBondContact OE2-CD1 3.32Å | ||
| 23 | S | 32.8 | Very low | 43.8 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -145.5 | 136.2 | 130.2 | -81.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 24 | P | 49.6 | Very low | 45.5 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | trans | -80.8 | 150.2 | -174.3 | 35.5 | -32.8 | 0 | 0 | 0 | 109.1 | ||||
| 25 | V | 31.4 | Very low | 47.5 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | trans | 170.3 | 123.5 | 136.8 | 153 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 26 | A | 34.4 | Very low | 49.4 | Very low | 81 Ų | 81 | 119.3 Ų | 119.3 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | trans | 57.7 | 104.2 | 152 | 0 | 0 | 0 | 0 | 0 | 118 | K28 | A26-K28 PolarHBondContact O-N 3.4Š| ||
| 27 | S | 49.3 | Very low | 52 | Low | 126 Ų | 126 | 116 Ų | 116 | 88% | 0.881 | 68% | 0.68 | S | S | * | * | trans | -6.4 | 89.3 | 130.4 | -43 | 0 | 0 | 0 | 0 | 113.5 | A29 | S27-A29 VanDerWaalsContact C-N 3.32Å; S27-A29 PolarHBondContact O-N 3.4Å | ||
| 28 | K | 41.5 | Very low | 54.2 | Low | 204 Ų | 204 | 119.7 Ų | 119.7 | 89% | 0.887 | 68% | 0.68 | S | S | * | * | trans | -67.3 | 100.9 | 160.1 | -111.1 | 176.9 | 178.9 | 176.2 | 0 | 105.4 | A26 Q30 | A26-K28 PolarHBondContact O-N 3.4Å; K28-Q30 PolarHBondContact O-N 3.4Å | ||
| 29 | A | 51.1 | Low | 56.5 | Low | 94 Ų | 94 | 119 Ų | 119 | 78% | 0.777 | 67% | 0.67 | S | S | * | * | trans | -48.3 | 112.9 | 163 | 0 | 0 | 0 | 0 | 0 | 106.9 | S27 D31 | S27-A29 VanDerWaalsContact C-N 3.32Å; S27-A29 PolarHBondContact O-N 3.4Å; A29-D31 PolarHBondContact O-N 2.86Å | ||
| 30 | Q | 53.3 | Low | 58.6 | Low | 143 Ų | 143 | 116 Ų | 116 | 67% | 0.668 | 66% | 0.66 | S | S | * | * | trans | -58.3 | 123.2 | 172.2 | -79.5 | 173.3 | -26.1 | 0 | 0 | 107.1 | K28 P32 L35 | K28-Q30 PolarHBondContact O-N 3.4Å; Q30-P32 VanDerWaalsContact O-CD 3.32Å; Q30-P32 WeakPolarHBondContact O-CD 3.47Å; Q30-P32 VanDerWaalsContact O-N 3.12Å; Q30-L35 HydrophobicContact CB-CD1 3.75Å; Q30-L35 HydrophobicContact CB-CG 4.16Å | ||
| 31 | D | 58.8 | Low | 61.2 | Low | 102 Ų | 102 | 114.5 Ų | 114.5 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | trans | -54 | 118.6 | 178.6 | -112.4 | -33.8 | 0 | 0 | 0 | 109 | A29 S33 L34 L35 | A29-D31 PolarHBondContact O-N 2.86Å; D31-S33 PolarHBondContact O-N 2.83Å; D31-S33 VanDerWaalsContact O-N 3.09Å; D31-L34 HydrophobicContact CB-CB 4.35Å; D31-L34 HydrophobicContact CB-CD1 4.02Å; D31-L34 HydrophobicContact CB-CG 4.01Å; D31-L34 PolarHBondContact O-N 2.6Å; D31-L35 PolarHBondContact O-N 2.86Å | ||
| 32 | P | 66.3 | Low | 63.5 | Low | 99 Ų | 99 | 112.3 Ų | 112.3 | 64% | 0.643 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -57.2 | -29.8 | -176.3 | -24.6 | 32.2 | 0 | 0 | 0 | 112.7 | Q30 S36 | Q30-P32 VanDerWaalsContact O-CD 3.32Å; Q30-P32 WeakPolarHBondContact O-CD 3.47Å; Q30-P32 VanDerWaalsContact O-N 3.12Å; P32-S36 WeakPolarHBondContact O-CB 3.26Å; P32-S36 PolarHBondContact O-N 2.97Å |
| 33 | S | 71.1 | Confident | 65.6 | Low | 65 Ų | 65 | 111.8 Ų | 111.8 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.6 | -38.8 | 176.7 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | D31 N37 | D31-S33 PolarHBondContact O-N 2.83Å; D31-S33 VanDerWaalsContact O-N 3.09Å; S33-N37 WeakPolarHBondContact O-CB 3.2Å; S33-N37 PolarHBondContact O-N 2.88Å; S33-N37 PolarHBondContact O-ND2 2.77Å |
| 34 | L | 76.8 | Confident | 68.3 | Low | 114 Ų | 114 | 112 Ų | 112 | 60% | 0.597 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.8 | -38.1 | 179.2 | -67 | -179.9 | 0 | 0 | 0 | 112.1 | D31 N37 R38 | D31-L34 HydrophobicContact CB-CB 4.35Å; D31-L34 HydrophobicContact CB-CD1 4.02Å; D31-L34 HydrophobicContact CB-CG 4.01Å; D31-L34 PolarHBondContact O-N 2.6Å; L34-N37 PolarHBondContact O-N 3.37Å; L34-R38 PolarHBondContact O-N 2.89Å |
| 35 | L | 76.8 | Confident | 70.2 | Confident | 79 Ų | 79 | 112 Ų | 112 | 41% | 0.414 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66 | -42 | 173.8 | -70.2 | 174.9 | 0 | 0 | 0 | 111.4 | Q30 D31 R38 L39 | Q30-L35 HydrophobicContact CB-CD1 3.75Å; Q30-L35 HydrophobicContact CB-CG 4.16Å; D31-L35 PolarHBondContact O-N 2.86Å; L35-R38 PolarHBondContact O-N 3.25Å; L35-L39 WeakPolarHBondContact O-CB 3.36Å; L35-L39 PolarHBondContact O-N 3.27Å |
| 36 | S | 79.8 | Confident | 73 | Confident | 67 Ų | 67 | 107.9 Ų | 107.9 | 47% | 0.469 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.5 | -40.7 | 176.5 | -166.1 | 0 | 0 | 0 | 0 | 112.2 | P32 L39 M40 | P32-S36 WeakPolarHBondContact O-CB 3.26Å; P32-S36 PolarHBondContact O-N 2.97Å; S36-L39 PolarHBondContact O-N 2.96Å; S36-M40 PolarHBondContact O-N 2.95Å |
| 37 | N | 84.4 | Confident | 75.6 | Confident | 91 Ų | 91 | 107.5 Ų | 107.5 | 49% | 0.487 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.2 | -42.9 | 175.9 | -74.2 | -21.7 | 0 | 0 | 0 | 111.9 | S33 L34 L39 M40 I41 | S33-N37 WeakPolarHBondContact O-CB 3.2Å; S33-N37 PolarHBondContact O-N 2.88Å; S33-N37 PolarHBondContact O-ND2 2.77Å; L34-N37 PolarHBondContact O-N 3.37Å; N37-L39 PolarHBondContact O-N 2.97Å; N37-M40 PolarHBondContact O-N 3.16Å; N37-I41 WeakPolarHBondContact O-CG1 3.39Å; N37-I41 PolarHBondContact O-N 3.42Å; N37-I41 VanDerWaalsContact O-N 3.11Å |
| 38 | R | 85.6 | Confident | 77.7 | Confident | 168 Ų | 168 | 104 Ų | 104 | 63% | 0.634 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.2 | -45.7 | 175.5 | -178.9 | 178.9 | -71.3 | -149.7 | -2.9 | 111.5 | L34 L35 M40 I41 E42 | L34-R38 PolarHBondContact O-N 2.89Å; L35-R38 PolarHBondContact O-N 3.25Å; R38-M40 VanDerWaalsContact C-N 3.32Å; R38-M40 PolarHBondContact O-N 2.9Å; R38-I41 PolarHBondContact O-N 2.98Å; R38-E42 WeakPolarHBondContact O-CG 3.39Å; R38-E42 PolarHBondContact O-N 3.25Å |
| 39 | L | 84.6 | Confident | 80.2 | Confident | 124 Ų | 124 | 96.9 Ų | 96.9 | 65% | 0.649 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.6 | -38 | -179.8 | -156.2 | 100.8 | 0 | 0 | 0 | 112.1 | L35 S36 N37 K43 | L35-L39 WeakPolarHBondContact O-CB 3.36Å; L35-L39 PolarHBondContact O-N 3.27Å; S36-L39 PolarHBondContact O-N 2.96Å; N37-L39 PolarHBondContact O-N 2.97Å; L39-K43 WeakPolarHBondContact O-CB 3.47Å; L39-K43 PolarHBondContact O-N 3Å |
| 40 | M | 86.2 | Confident | 82.2 | Confident | 119 Ų | 119 | 93.9 Ų | 93.9 | 59% | 0.586 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.6 | -46 | 174.3 | -89.4 | -145.7 | -166.4 | 0 | 0 | 112.6 | S36 N37 R38 E42 K43 Q44 | S36-M40 PolarHBondContact O-N 2.95Å; N37-M40 PolarHBondContact O-N 3.16Å; R38-M40 VanDerWaalsContact C-N 3.32Å; R38-M40 PolarHBondContact O-N 2.9Å; M40-E42 VanDerWaalsContact C-N 3.34Å; M40-K43 PolarHBondContact O-N 3.11Å; M40-Q44 PolarHBondContact O-N 3.46Å |
| 41 | I | 89.5 | Confident | 84.1 | Confident | 113 Ų | 113 | 94.1 Ų | 94.1 | 58% | 0.579 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -45 | 180 | -67.6 | 165.1 | 0 | 0 | 0 | 110.3 | N37 R38 K43 Q44 Q45 | N37-I41 WeakPolarHBondContact O-CG1 3.39Å; N37-I41 PolarHBondContact O-N 3.42Å; N37-I41 VanDerWaalsContact O-N 3.11Å; R38-I41 PolarHBondContact O-N 2.98Å; I41-K43 VanDerWaalsContact C-N 3.34Å; I41-K43 PolarHBondContact O-N 3.29Å; I41-Q44 PolarHBondContact O-N 3.37Å; I41-Q45 WeakPolarHBondContact O-CB 3.44Å; I41-Q45 PolarHBondContact O-N 3.18Å |
| 42 | E | 86.9 | Confident | 85.8 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 35% | 0.346 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 177.7 | -70.6 | -177.5 | 167.2 | 0 | 0 | 111.7 | R38 M40 Q44 Q45 E46 K81 | R38-E42 WeakPolarHBondContact O-CG 3.39Å; R38-E42 PolarHBondContact O-N 3.25Å; M40-E42 VanDerWaalsContact C-N 3.34Å; E42-Q44 PolarHBondContact O-N 3.43Å; E42-Q45 WeakPolarHBondContact O-CB 3.46Å; E42-Q45 PolarHBondContact O-N 3.07Å; E42-E46 WeakPolarHBondContact O-CG 3.45Å; E42-E46 PolarHBondContact O-N 2.92Å; E42-K81 IonicContact OE1-NZ 2.98Å; E42-K81 PolarHBondContact OE1-NZ 3.36Å; E42-K81 IonicContact OE2-NZ 2.69Å; E42-K81 PolarHBondContact OE2-NZ 3Å |
| 43 | K | 86.6 | Confident | 87.2 | Confident | 119 Ų | 119 | 87.3 Ų | 87.3 | 52% | 0.517 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 176.7 | -175.9 | -169 | 168.5 | -157 | 0 | 112.2 | L39 M40 I41 Q45 E46 E47 | L39-K43 WeakPolarHBondContact O-CB 3.47Å; L39-K43 PolarHBondContact O-N 3Å; M40-K43 PolarHBondContact O-N 3.11Å; I41-K43 VanDerWaalsContact C-N 3.34Å; I41-K43 PolarHBondContact O-N 3.29Å; K43-Q45 VanDerWaalsContact C-N 3.28Å; K43-Q45 PolarHBondContact O-N 3.11Å; K43-E46 PolarHBondContact O-N 3.16Å; K43-E47 WeakPolarHBondContact CE-OE1 3.41Å; K43-E47 IonicContact NZ-OE1 3.55Å; K43-E47 WeakPolarHBondContact O-CG 3.44Å; K43-E47 PolarHBondContact O-N 3.36Å |
| 44 | Q | 89.6 | Confident | 88.3 | Confident | 123 Ų | 123 | 85.5 Ų | 85.5 | 58% | 0.575 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.6 | -39 | 176.9 | -76.8 | 179.7 | -1 | 0 | 0 | 111.8 | M40 I41 E42 E47 A48 | M40-Q44 PolarHBondContact O-N 3.46Å; I41-Q44 PolarHBondContact O-N 3.37Å; E42-Q44 PolarHBondContact O-N 3.43Å; Q44-E47 PolarHBondContact O-N 3.32Å; Q44-A48 PolarHBondContact O-N 2.95Å |
| 45 | Q | 90.8 | Very high | 89.2 | Confident | 109 Ų | 109 | 81.9 Ų | 81.9 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 175.5 | 180 | 60.4 | 30.1 | 0 | 0 | 111.7 | I41 E42 K43 A48 E49 | I41-Q45 WeakPolarHBondContact O-CB 3.44Å; I41-Q45 PolarHBondContact O-N 3.18Å; E42-Q45 WeakPolarHBondContact O-CB 3.46Å; E42-Q45 PolarHBondContact O-N 3.07Å; K43-Q45 VanDerWaalsContact C-N 3.28Å; K43-Q45 PolarHBondContact O-N 3.11Å; Q45-A48 PolarHBondContact O-N 3.38Å; Q45-E49 PolarHBondContact NE2-OE1 3.34Å; Q45-E49 VanDerWaalsContact NE2-OE1 3.08Å; Q45-E49 WeakPolarHBondContact O-CG 3.49Å; Q45-E49 PolarHBondContact O-N 3.48Å |
| 46 | E | 89.9 | Confident | 90.1 | Very high | 52 Ų | 52 | 79.8 Ų | 79.8 | 24% | 0.243 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.4 | -59.2 | -152.1 | 134.7 | 0 | 0 | 112.6 | E42 K43 E49 W50 R88 | E42-E46 WeakPolarHBondContact O-CG 3.45Å; E42-E46 PolarHBondContact O-N 2.92Å; K43-E46 PolarHBondContact O-N 3.16Å; E46-E49 PolarHBondContact O-N 3.45Å; E46-W50 PolarHBondContact O-N 2.93Å; E46-R88 IonicContact OE1-CZ 3.37Å; E46-R88 IonicContact OE1-NH1 2.97Å; E46-R88 PolarHBondContact OE1-NH1 3.49Å; E46-R88 IonicContact OE1-NH2 2.89Å; E46-R88 PolarHBondContact OE1-NH2 2.98Å; E46-R88 IonicContact OE2-NH1 3.76Å |
| 47 | E | 89.8 | Confident | 90.7 | Very high | 72 Ų | 72 | 77.3 Ų | 77.3 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61 | -44 | 175.1 | -75.5 | 176.4 | 170.3 | 0 | 0 | 111 | K43 Q44 W50 E51 L67 | K43-E47 WeakPolarHBondContact CE-OE1 3.41Å; K43-E47 IonicContact NZ-OE1 3.55Å; K43-E47 WeakPolarHBondContact O-CG 3.44Å; K43-E47 PolarHBondContact O-N 3.36Å; Q44-E47 PolarHBondContact O-N 3.32Å; E47-W50 PolarHBondContact O-N 3.29Å; E47-E51 PolarHBondContact O-N 3.49Å; E47-L67 HydrophobicContact CG-CD1 3.83Å |
| 48 | A | 92.2 | Very high | 91.2 | Very high | 52 Ų | 52 | 78.3 Ų | 78.3 | 43% | 0.43 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q44 Q45 E51 S52 | Q44-A48 PolarHBondContact O-N 2.95Å; Q45-A48 PolarHBondContact O-N 3.38Å; A48-E51 PolarHBondContact O-N 3.31Å; A48-S52 PolarHBondContact O-N 3.47Å |
| 49 | E | 93.4 | Very high | 91.6 | Very high | 56 Ų | 56 | 75.7 Ų | 75.7 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 174.2 | -75.4 | 170.8 | -163.1 | 0 | 0 | 111.7 | Q45 E46 S52 I53 R88 | Q45-E49 PolarHBondContact NE2-OE1 3.34Å; Q45-E49 VanDerWaalsContact NE2-OE1 3.08Å; Q45-E49 WeakPolarHBondContact O-CG 3.49Å; Q45-E49 PolarHBondContact O-N 3.48Å; E46-E49 PolarHBondContact O-N 3.45Å; E49-S52 PolarHBondContact O-N 2.84Å; E49-I53 WeakPolarHBondContact O-CG1 3.2Å; E49-I53 PolarHBondContact O-N 3.33Å; E49-R88 IonicContact OE2-CZ 3.23Å; E49-R88 VanDerWaalsContact OE2-CZ 3.23Å; E49-R88 IonicContact OE2-NE 2.75Å; E49-R88 PolarHBondContact OE2-NE 3.05Å; E49-R88 IonicContact OE2-NH2 2.87Å; E49-R88 PolarHBondContact OE2-NH2 3.35Å |
| 50 | W | 93.3 | Very high | 91.8 | Very high | 30 Ų | 30 | 71.7 Ų | 71.7 | 11% | 0.114 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.7 | -39 | 175.2 | -80.8 | 121.8 | 0 | 0 | 0 | 112.7 | E46 E47 S52 I53 N54 L65 M87 R88 L91 | E46-W50 PolarHBondContact O-N 2.93Å; E47-W50 PolarHBondContact O-N 3.29Å; W50-S52 VanDerWaalsContact C-N 3.34Å; W50-I53 HydrophobicContact CE3-CB 4.43Å; W50-I53 HydrophobicContact CE3-CD1 4.1Å; W50-I53 HydrophobicContact CE3-CG2 4.44Å; W50-I53 HydrophobicContact CZ3-CD1 4.21Å; W50-I53 HydrophobicContact CZ3-CG2 4.45Å; W50-I53 PolarHBondContact O-N 2.94Å; W50-N54 WeakPolarHBondContact O-CB 3.39Å; W50-N54 VanDerWaalsContact O-CG 3.23Å; W50-N54 PolarHBondContact O-N 3.47Å; W50-N54 PolarHBondContact O-ND2 2.7Å; W50-L65 HydrophobicContact CE3-CD1 4.09Å; W50-L65 HydrophobicContact CH2-CD1 4.18Å; W50-L65 HydrophobicContact CZ3-CD1 3.44Å; W50-L65 VanDerWaalsContact CZ3-CD1 3.44Å; W50-M87 HydrophobicContact CH2-CE 4.33Å; W50-M87 HydrophobicContact CZ2-CE 4.48Å; W50-R88 HydrophobicContact CD2-CG 4.1Å; W50-R88 VanDerWaalsContact CE2-CD 3.47Å; W50-R88 HydrophobicContact CE3-CG 4.27Å; W50-R88 HydrophobicContact CH2-CG 3.69Å; W50-R88 HydrophobicContact CZ2-CG 3.48Å; W50-R88 VanDerWaalsContact CZ2-CG 3.48Å; W50-R88 HydrophobicContact CZ3-CG 4.07Å; W50-L91 HydrophobicContact CH2-CD1 4.43Å; W50-L91 HydrophobicContact CZ3-CD1 4.36Å |
| 51 | E | 94 | Very high | 92.1 | Very high | 148 Ų | 148 | 69.3 Ų | 69.3 | 69% | 0.692 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.9 | -40.9 | 176.1 | -169.9 | 160.4 | -153.9 | 0 | 0 | 111.6 | E47 A48 I53 N54 G55 | E47-E51 PolarHBondContact O-N 3.49Å; A48-E51 PolarHBondContact O-N 3.31Å; E51-I53 PolarHBondContact O-N 3.26Å; E51-N54 PolarHBondContact O-N 2.96Å; E51-G55 PolarHBondContact O-N 3.2Å |
| 52 | S | 94.4 | Very high | 92.3 | Very high | 55 Ų | 55 | 69.3 Ų | 69.3 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 172.3 | 176.1 | 0 | 0 | 0 | 0 | 112.3 | A48 E49 W50 G55 L56 | A48-S52 PolarHBondContact O-N 3.47Å; E49-S52 PolarHBondContact O-N 2.84Å; W50-S52 VanDerWaalsContact C-N 3.34Å; S52-G55 PolarHBondContact O-N 3.03Å; S52-L56 PolarHBondContact O-N 2.92Å |
| 53 | I | 95.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.015 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65 | -41.5 | 177.8 | -68.9 | 165.6 | 0 | 0 | 0 | 110.9 | E49 W50 E51 G55 L56 L57 R88 L91 K92 | E49-I53 WeakPolarHBondContact O-CG1 3.2Å; E49-I53 PolarHBondContact O-N 3.33Å; W50-I53 HydrophobicContact CE3-CB 4.43Å; W50-I53 HydrophobicContact CE3-CD1 4.1Å; W50-I53 HydrophobicContact CE3-CG2 4.44Å; W50-I53 HydrophobicContact CZ3-CD1 4.21Å; W50-I53 HydrophobicContact CZ3-CG2 4.45Å; W50-I53 PolarHBondContact O-N 2.94Å; E51-I53 PolarHBondContact O-N 3.26Å; I53-G55 VanDerWaalsContact C-N 3.3Å; I53-G55 PolarHBondContact O-N 3.35Å; I53-L56 WeakPolarHBondContact O-CB 3.33Å; I53-L56 PolarHBondContact O-N 2.93Å; I53-L56 VanDerWaalsContact O-N 3.16Å; I53-L57 HydrophobicContact CG2-CD1 4.03Å; I53-L57 HydrophobicContact CG2-CG 4.33Å; I53-L57 WeakPolarHBondContact O-CG 3.26Å; I53-L57 PolarHBondContact O-N 3.45Å; I53-R88 HydrophobicContact CD1-CB 3.66Å; I53-R88 HydrophobicContact CD1-CG 3.93Å; I53-R88 WeakPolarHBondContact CD1-O 3.29Å; I53-L91 HydrophobicContact CG2-CB 4.37Å; I53-K92 HydrophobicContact CG1-CB 4.15Å |
| 54 | N | 95.4 | Very high | 92.9 | Very high | 27 Ų | 27 | 72 Ų | 72 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 177 | -77.4 | -18.3 | 0 | 0 | 0 | 112.1 | W50 E51 L56 L57 M58 P64 L65 | W50-N54 WeakPolarHBondContact O-CB 3.39Å; W50-N54 VanDerWaalsContact O-CG 3.23Å; W50-N54 PolarHBondContact O-N 3.47Å; W50-N54 PolarHBondContact O-ND2 2.7Å; E51-N54 PolarHBondContact O-N 2.96Å; N54-L56 VanDerWaalsContact C-N 3.34Å; N54-L56 PolarHBondContact O-N 2.99Å; N54-L57 PolarHBondContact O-N 3.38Å; N54-M58 WeakPolarHBondContact O-CB 3.33Å; N54-M58 WeakPolarHBondContact O-CG 3.07Å; N54-M58 PolarHBondContact O-N 2.87Å; N54-P64 HydrophobicContact CB-CB 3.96Å; N54-L65 PolarHBondContact ND2-O 2.69Å; N54-L65 PolarHBondContact OD1-N 2.75Å |
| 55 | G | 94.8 | Very high | 92.9 | Very high | 38 Ų | 38 | 70 Ų | 70 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | E51 S52 I53 T59 | E51-G55 PolarHBondContact O-N 3.2Å; S52-G55 PolarHBondContact O-N 3.03Å; I53-G55 VanDerWaalsContact C-N 3.3Å; I53-G55 PolarHBondContact O-N 3.35Å; G55-T59 PolarHBondContact O-N 3.49Å; G55-T59 PolarHBondContact O-OG1 3.36Å |
| 56 | L | 94.8 | Very high | 92.6 | Very high | 36 Ų | 36 | 70 Ų | 70 | 19% | 0.188 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65 | -46.8 | 175.6 | -68.6 | 170.9 | 0 | 0 | 0 | 111.9 | S52 I53 N54 M58 T59 H60 K92 M95 E96 | S52-L56 PolarHBondContact O-N 2.92Å; I53-L56 WeakPolarHBondContact O-CB 3.33Å; I53-L56 PolarHBondContact O-N 2.93Å; I53-L56 VanDerWaalsContact O-N 3.16Å; N54-L56 VanDerWaalsContact C-N 3.34Å; N54-L56 PolarHBondContact O-N 2.99Å; L56-M58 VanDerWaalsContact C-N 3.32Å; L56-M58 PolarHBondContact O-N 3.36Å; L56-T59 WeakPolarHBondContact O-CB 3.35Å; L56-T59 PolarHBondContact O-N 3.41Å; L56-H60 PolarHBondContact O-CD2 2.95Å; L56-H60 PolarHBondContact O-N 2.94Å; L56-H60 VanDerWaalsContact O-N 3.16Å; L56-K92 HydrophobicContact CD1-CG 4.21Å; L56-M95 HydrophobicContact CB-CB 3.95Å; L56-M95 HydrophobicContact CB-CG 4.34Å; L56-M95 HydrophobicContact CD1-CB 4.1Å; L56-E96 HydrophobicContact CD1-CG 4.1Å |
| 57 | L | 94.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 72.1 Ų | 72.1 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.2 | -46.8 | 177.1 | -76.3 | 172.2 | 0 | 0 | 0 | 111.6 | I53 N54 T59 H60 G61 F62 L65 M95 | I53-L57 HydrophobicContact CG2-CD1 4.03Å; I53-L57 HydrophobicContact CG2-CG 4.33Å; I53-L57 WeakPolarHBondContact O-CG 3.26Å; I53-L57 PolarHBondContact O-N 3.45Å; N54-L57 PolarHBondContact O-N 3.38Å; L57-T59 VanDerWaalsContact C-N 3.33Å; L57-T59 PolarHBondContact O-N 2.91Å; L57-H60 CarbonylContact O-C 3.41Å; L57-H60 PolarHBondContact O-N 3.45Å; L57-H60 VanDerWaalsContact O-N 3.11Å; L57-G61 PolarHBondContact O-N 3.34Å; L57-G61 VanDerWaalsContact O-N 3.11Å; L57-F62 HydrophobicContact CB-CB 3.97Å; L57-F62 HydrophobicContact CD2-CB 3.82Å; L57-F62 HydrophobicContact CD2-CD2 4.03Å; L57-F62 HydrophobicContact CD2-CG 4.09Å; L57-F62 HydrophobicContact CG-CB 4.47Å; L57-F62 WeakPolarHBondContact O-CB 3.3Å; L57-F62 PolarHBondContact O-N 2.89Å; L57-L65 HydrophobicContact CD1-CD1 4.09Å; L57-L65 HydrophobicContact CD1-CG 3.97Å; L57-M95 HydrophobicContact CD2-CG 4.47Å; L57-M95 HydrophobicContact CD2-SD 3.93Å |
| 58 | M | 94.4 | Very high | 91.6 | Very high | 111 Ų | 111 | 73.4 Ų | 73.4 | 55% | 0.547 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 179 | -72.4 | -66.5 | -65.7 | 0 | 0 | 112.3 | N54 L56 H60 G61 P64 | N54-M58 WeakPolarHBondContact O-CB 3.33Å; N54-M58 WeakPolarHBondContact O-CG 3.07Å; N54-M58 PolarHBondContact O-N 2.87Å; L56-M58 VanDerWaalsContact C-N 3.32Å; L56-M58 PolarHBondContact O-N 3.36Å; M58-H60 PolarHBondContact O-N 3.15Å; M58-G61 PolarHBondContact O-N 2.87Å; M58-P64 HydrophobicContact SD-CG 4.22Å |
| 59 | T | 92.9 | Very high | 90.7 | Very high | 113 Ų | 113 | 79.9 Ų | 79.9 | 69% | 0.693 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -60.9 | -32 | 175.2 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | G55 L56 L57 | G55-T59 PolarHBondContact O-N 3.49Å; G55-T59 PolarHBondContact O-OG1 3.36Å; L56-T59 WeakPolarHBondContact O-CB 3.35Å; L56-T59 PolarHBondContact O-N 3.41Å; L57-T59 VanDerWaalsContact C-N 3.33Å; L57-T59 PolarHBondContact O-N 2.91Å |
| 60 | H | 90.2 | Very high | 89.2 | Confident | 40 Ų | 40 | 79.9 Ų | 79.9 | 19% | 0.185 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 7.3 | 175.2 | -65.8 | -63.1 | 0 | 0 | 0 | 114.4 | L56 L57 M58 F62 M95 T99 | L56-H60 PolarHBondContact O-CD2 2.95Å; L56-H60 PolarHBondContact O-N 2.94Å; L56-H60 VanDerWaalsContact O-N 3.16Å; L57-H60 CarbonylContact O-C 3.41Å; L57-H60 PolarHBondContact O-N 3.45Å; L57-H60 VanDerWaalsContact O-N 3.11Å; M58-H60 PolarHBondContact O-N 3.15Å; H60-F62 HydrophobicContact CB-CD2 3.71Å; H60-F62 HydrophobicContact CB-CE2 3.79Å; H60-M95 PolarHBondContact NE2-O 2.9Å; H60-T99 PolarHBondContact CE1-OG1 3.46Å; H60-T99 PolarHBondContact NE2-OG1 2.98Å |
| 61 | G | 91.9 | Very high | 87.7 | Confident | 69 Ų | 69 | 83.7 Ų | 83.7 | 71% | 0.711 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 11.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L57 M58 | L57-G61 PolarHBondContact O-N 3.34Å; L57-G61 VanDerWaalsContact O-N 3.11Å; M58-G61 PolarHBondContact O-N 2.87Å |
| 62 | F | 93.4 | Very high | 86.3 | Confident | 113 Ų | 113 | 80.5 Ų | 80.5 | 50% | 0.496 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 156.4 | 173.2 | -63.1 | -76.2 | 0 | 0 | 0 | 111.8 | L57 H60 M95 | L57-F62 HydrophobicContact CB-CB 3.97Å; L57-F62 HydrophobicContact CD2-CB 3.82Å; L57-F62 HydrophobicContact CD2-CD2 4.03Å; L57-F62 HydrophobicContact CD2-CG 4.09Å; L57-F62 HydrophobicContact CG-CB 4.47Å; L57-F62 WeakPolarHBondContact O-CB 3.3Å; L57-F62 PolarHBondContact O-N 2.89Å; H60-F62 HydrophobicContact CB-CD2 3.71Å; H60-F62 HydrophobicContact CB-CE2 3.79Å; F62-M95 HydrophobicContact CE2-SD 4.48Å |
| 63 | K | 94.4 | Very high | 85.3 | Confident | 186 Ų | 186 | 82.9 Ų | 82.9 | 81% | 0.809 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -73 | 143.3 | 173.5 | -66.4 | -178.1 | -179.3 | 179 | 0 | 110.4 | ||
| 64 | P | 92.7 | Very high | 84.5 | Confident | 63 Ų | 63 | 92.5 Ų | 92.5 | 41% | 0.409 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 148.3 | 177.7 | 31.8 | -32.5 | 0 | 0 | 0 | 110.2 | N54 M58 | N54-P64 HydrophobicContact CB-CB 3.96Å; M58-P64 HydrophobicContact SD-CG 4.22Å |
| 65 | L | 89.8 | Confident | 83.9 | Confident | 81 Ų | 81 | 98.2 Ų | 98.2 | 42% | 0.424 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -81.6 | 138.2 | 174.1 | -60.2 | 174 | 0 | 0 | 0 | 109.8 | W50 N54 L57 | W50-L65 HydrophobicContact CE3-CD1 4.09Å; W50-L65 HydrophobicContact CH2-CD1 4.18Å; W50-L65 HydrophobicContact CZ3-CD1 3.44Å; W50-L65 VanDerWaalsContact CZ3-CD1 3.44Å; N54-L65 PolarHBondContact ND2-O 2.69Å; N54-L65 PolarHBondContact OD1-N 2.75Å; L57-L65 HydrophobicContact CD1-CD1 4.09Å; L57-L65 HydrophobicContact CD1-CG 3.97Å |
| 66 | C | 84.1 | Confident | 83.4 | Confident | 111 Ų | 111 | 101.5 Ų | 101.5 | 75% | 0.75 | 56% | 0.557 | S | S | * | * | trans | -112.2 | 136.3 | 179.6 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | V68 | C66-V68 PolarHBondContact O-N 2.98Š| ||
| 67 | L | 79.1 | Confident | 82.8 | Confident | 96 Ų | 96 | 106.7 Ų | 106.7 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | trans | -74.3 | 117.6 | 170.1 | -73.6 | 146.7 | 0 | 0 | 0 | 109.2 | E47 | E47-L67 HydrophobicContact CG-CD1 3.83Š| ||
| 68 | V | 80 | Confident | 82.4 | Confident | 99 Ų | 99 | 110.5 Ų | 110.5 | 60% | 0.6 | 61% | 0.608 | S | S | * | * | trans | -74.5 | 129.8 | 179 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | C66 F76 | C66-V68 PolarHBondContact O-N 2.98Å; V68-F76 HydrophobicContact CG1-CE1 4.5Å; V68-F76 HydrophobicContact CG1-CE2 4.23Å; V68-F76 HydrophobicContact CG1-CZ 3.92Å; V68-F76 HydrophobicContact CG2-CE1 3.95Å; V68-F76 HydrophobicContact CG2-CZ 4.13Å | ||
| 69 | K | 71.9 | Confident | 82.1 | Confident | 188 Ų | 188 | 110.1 Ų | 110.1 | 82% | 0.817 | 60% | 0.603 | S | S | * | * | trans | -111.1 | 106.4 | 175 | -65.3 | -179.5 | -177.8 | 175.9 | 0 | 109.1 | ||||
| 70 | G | 62.7 | Low | 82 | Confident | 56 Ų | 56 | 109 Ų | 109 | 58% | 0.577 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 156.3 | 147.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D72 | G70-D72 PolarHBondContact O-N 3.21Š|
| 71 | A | 62.5 | Low | 81.9 | Confident | 110 Ų | 110 | 112.2 Ų | 112.2 | 91% | 0.909 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -89.6 | 16.7 | -158.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 72 | D | 64.5 | Low | 81.9 | Confident | 81 Ų | 81 | 116.2 Ų | 116.2 | 43% | 0.433 | 61% | 0.606 | S | S | . | * | trans | -107.5 | 87.7 | 171.2 | -147.6 | -14.2 | 0 | 0 | 0 | 110 | G70 R74 | G70-D72 PolarHBondContact O-N 3.21Å; D72-R74 PolarHBondContact O-N 3.06Å; D72-R74 WeakPolarHBondContact OD1-CG 3.34Å; D72-R74 IonicContact OD1-CZ 3.6Å; D72-R74 IonicContact OD1-NE 2.81Å; D72-R74 PolarHBondContact OD1-NE 3.41Å; D72-R74 IonicContact OD1-NH2 3.6Å; D72-R74 IonicContact OD2-CZ 3.56Å; D72-R74 IonicContact OD2-NE 3.49Å; D72-R74 PolarHBondContact OD2-NE 3.13Å; D72-R74 IonicContact OD2-NH2 2.78Å; D72-R74 PolarHBondContact OD2-NH2 2.97Å | ||
| 73 | L | 73.4 | Confident | 82 | Confident | 105 Ų | 105 | 113.1 Ų | 113.1 | 55% | 0.55 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -78.2 | -0.5 | -179.1 | -64.2 | 170.5 | 0 | 0 | 0 | 112.7 | D75 F76 V78 | L73-D75 PolarHBondContact O-N 2.86Å; L73-F76 PolarHBondContact O-N 3.18Å; L73-V78 HydrophobicContact CB-CG2 4.27Å; L73-V78 HydrophobicContact CD1-CG2 4.21Å; L73-V78 HydrophobicContact CD2-CG2 3.89Å; L73-V78 HydrophobicContact CG-CG2 4.35Å |
| 74 | R | 78.1 | Confident | 81.8 | Confident | 204 Ų | 204 | 105.1 Ų | 105.1 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -61.3 | -27.6 | -172.8 | -72.4 | -172.9 | -68.6 | -175.4 | 3.2 | 113.6 | D72 | D72-R74 PolarHBondContact O-N 3.06Å; D72-R74 WeakPolarHBondContact OD1-CG 3.34Å; D72-R74 IonicContact OD1-CZ 3.6Å; D72-R74 IonicContact OD1-NE 2.81Å; D72-R74 PolarHBondContact OD1-NE 3.41Å; D72-R74 IonicContact OD1-NH2 3.6Å; D72-R74 IonicContact OD2-CZ 3.56Å; D72-R74 IonicContact OD2-NE 3.49Å; D72-R74 PolarHBondContact OD2-NE 3.13Å; D72-R74 IonicContact OD2-NH2 2.78Å; D72-R74 PolarHBondContact OD2-NH2 2.97Å |
| 75 | D | 82.6 | Confident | 81.8 | Confident | 148 Ų | 148 | 107 Ų | 107 | 79% | 0.791 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -99 | 4.8 | 179 | -60.1 | -33.4 | 0 | 0 | 0 | 113.3 | L73 | L73-D75 PolarHBondContact O-N 2.86Š|
| 76 | F | 83.6 | Confident | 82.1 | Confident | 106 Ų | 106 | 110 Ų | 110 | 47% | 0.465 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -118 | 139.8 | -174.9 | -65.7 | -78.2 | 0 | 0 | 0 | 112.9 | V68 L73 V78 | V68-F76 HydrophobicContact CG1-CE1 4.5Å; V68-F76 HydrophobicContact CG1-CE2 4.23Å; V68-F76 HydrophobicContact CG1-CZ 3.92Å; V68-F76 HydrophobicContact CG2-CE1 3.95Å; V68-F76 HydrophobicContact CG2-CZ 4.13Å; L73-F76 PolarHBondContact O-N 3.18Å; F76-V78 PolarHBondContact O-N 3.04Å |
| 77 | I | 83.6 | Confident | 82.5 | Confident | 145 Ų | 145 | 107.6 Ų | 107.6 | 74% | 0.744 | 56% | 0.558 | S | S | * | * | trans | -81.2 | 111.6 | 165.6 | -59 | 175.5 | 0 | 0 | 0 | 107.5 | F79 | I77-F79 HydrophobicContact CG2-CE1 4.46Å; I77-F79 HydrophobicContact CG2-CE2 4.26Å; I77-F79 HydrophobicContact CG2-CZ 4.13Å | ||
| 78 | V | 84.9 | Confident | 83.2 | Confident | 96 Ų | 96 | 103.3 Ų | 103.3 | 58% | 0.582 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -91.1 | 119.3 | 177.8 | -176 | 0 | 0 | 0 | 0 | 109 | L73 F76 | L73-V78 HydrophobicContact CB-CG2 4.27Å; L73-V78 HydrophobicContact CD1-CG2 4.21Å; L73-V78 HydrophobicContact CD2-CG2 3.89Å; L73-V78 HydrophobicContact CG-CG2 4.35Å; F76-V78 PolarHBondContact O-N 3.04Å |
| 79 | F | 87.6 | Confident | 84 | Confident | 102 Ų | 102 | 103.8 Ų | 103.8 | 45% | 0.447 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 141.6 | 171.7 | -68.5 | -76.2 | 0 | 0 | 0 | 110.4 | I77 M87 | I77-F79 HydrophobicContact CG2-CE1 4.46Å; I77-F79 HydrophobicContact CG2-CE2 4.26Å; I77-F79 HydrophobicContact CG2-CZ 4.13Å; F79-M87 HydrophobicContact CD2-CE 3.67Å; F79-M87 HydrophobicContact CD2-SD 4.39Å; F79-M87 HydrophobicContact CE2-CE 3.69Å; F79-M87 HydrophobicContact CE2-SD 3.88Å; F79-M87 HydrophobicContact CG-CE 4.39Å; F79-M87 HydrophobicContact CZ-CE 4.43Å; F79-M87 HydrophobicContact CZ-SD 4.1Å |
| 80 | D | 90.6 | Very high | 85.2 | Confident | 89 Ų | 89 | 99.7 Ų | 99.7 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 164.8 | 162.9 | 71.6 | 84.1 | 0 | 0 | 0 | 110.4 | Q82 S83 S84 | D80-Q82 VanDerWaalsContact C-N 3.29Å; D80-Q82 PolarHBondContact O-N 3.41Å; D80-Q82 WeakPolarHBondContact OD1-CA 3.39Å; D80-Q82 VanDerWaalsContact OD1-CB 3.26Å; D80-Q82 WeakPolarHBondContact OD1-CB 3.33Å; D80-Q82 PolarHBondContact OD1-N 3Å; D80-S83 PolarHBondContact O-N 2.99Å; D80-S83 PolarHBondContact OD1-N 3.3Å; D80-S83 WeakPolarHBondContact OD2-CB 3.44Å; D80-S83 PolarHBondContact OD2-OG 2.98Å; D80-S84 WeakPolarHBondContact O-CB 3.25Å; D80-S84 PolarHBondContact O-N 3.48Å |
| 81 | K | 88.1 | Confident | 86.7 | Confident | 109 Ų | 109 | 99 Ų | 99 | 47% | 0.474 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -55.1 | -42.9 | -176.8 | -176.5 | 176 | 177.7 | 179.7 | 0 | 112.7 | E42 Q85 | E42-K81 IonicContact OE1-NZ 2.98Å; E42-K81 PolarHBondContact OE1-NZ 3.36Å; E42-K81 IonicContact OE2-NZ 2.69Å; E42-K81 PolarHBondContact OE2-NZ 3Å; K81-Q85 VanDerWaalsContact O-CB 3.3Å; K81-Q85 WeakPolarHBondContact O-CB 3.38Å; K81-Q85 PolarHBondContact O-N 3.03Å |
| 82 | Q | 93.5 | Very high | 88.2 | Confident | 152 Ų | 152 | 97.1 Ų | 97.1 | 71% | 0.71 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69.3 | -44.7 | -177.7 | -174.8 | -176.3 | 2.4 | 0 | 0 | 110.8 | D80 Q85 K86 | D80-Q82 VanDerWaalsContact C-N 3.29Å; D80-Q82 PolarHBondContact O-N 3.41Å; D80-Q82 WeakPolarHBondContact OD1-CA 3.39Å; D80-Q82 VanDerWaalsContact OD1-CB 3.26Å; D80-Q82 WeakPolarHBondContact OD1-CB 3.33Å; D80-Q82 PolarHBondContact OD1-N 3Å; Q82-Q85 PolarHBondContact O-N 3.33Å; Q82-K86 WeakPolarHBondContact O-CB 3.37Å; Q82-K86 PolarHBondContact O-N 3.04Å |
| 83 | S | 93.7 | Very high | 89.8 | Confident | 48 Ų | 48 | 96.5 Ų | 96.5 | 34% | 0.336 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.1 | -64.2 | 0 | 0 | 0 | 0 | 112 | D80 K86 M87 | D80-S83 PolarHBondContact O-N 2.99Å; D80-S83 PolarHBondContact OD1-N 3.3Å; D80-S83 WeakPolarHBondContact OD2-CB 3.44Å; D80-S83 PolarHBondContact OD2-OG 2.98Å; S83-K86 PolarHBondContact O-N 3.36Å; S83-M87 WeakPolarHBondContact O-CB 3.32Å; S83-M87 PolarHBondContact O-N 3.23Å |
| 84 | S | 90.9 | Very high | 90.9 | Very high | 18 Ų | 18 | 96.2 Ų | 96.2 | 13% | 0.126 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -62.2 | -47.4 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | D80 K86 M87 R88 | D80-S84 WeakPolarHBondContact O-CB 3.25Å; D80-S84 PolarHBondContact O-N 3.48Å; S84-K86 PolarHBondContact O-N 3.31Å; S84-M87 PolarHBondContact O-N 3.11Å; S84-R88 WeakPolarHBondContact O-CG 3.34Å; S84-R88 PolarHBondContact O-N 3.45Å; S84-R88 PolarHBondContact OG-NH1 3.43Å |
| 85 | Q | 92.8 | Very high | 91.7 | Very high | 104 Ų | 104 | 87.3 Ų | 87.3 | 49% | 0.486 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 176.2 | -175.4 | -177.6 | -3.9 | 0 | 0 | 111.8 | K81 Q82 M87 R88 Q89 | K81-Q85 VanDerWaalsContact O-CB 3.3Å; K81-Q85 WeakPolarHBondContact O-CB 3.38Å; K81-Q85 PolarHBondContact O-N 3.03Å; Q82-Q85 PolarHBondContact O-N 3.33Å; Q85-M87 VanDerWaalsContact C-N 3.34Å; Q85-M87 PolarHBondContact O-N 3.44Å; Q85-R88 PolarHBondContact O-N 3.35Å; Q85-Q89 PolarHBondContact O-N 3.04Å |
| 86 | K | 95.5 | Very high | 92.3 | Very high | 143 Ų | 143 | 84.3 Ų | 84.3 | 62% | 0.622 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -63 | -41.5 | 177.5 | -170.3 | 175.8 | -177.1 | 179.8 | 0 | 111.5 | Q82 S83 S84 Q89 I90 | Q82-K86 WeakPolarHBondContact O-CB 3.37Å; Q82-K86 PolarHBondContact O-N 3.04Å; S83-K86 PolarHBondContact O-N 3.36Å; S84-K86 PolarHBondContact O-N 3.31Å; K86-Q89 PolarHBondContact O-N 3.29Å; K86-I90 HydrophobicContact CG-CD1 4.01Å; K86-I90 VanDerWaalsContact O-CG1 3.26Å; K86-I90 WeakPolarHBondContact O-CG1 3.35Å; K86-I90 PolarHBondContact O-N 3.33Å |
| 87 | M | 93.7 | Very high | 92.9 | Very high | 60 Ų | 60 | 82.2 Ų | 82.2 | 30% | 0.296 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 176.3 | -178.7 | 171.6 | 62.4 | 0 | 0 | 111.6 | W50 F79 S83 S84 Q85 Q89 I90 L91 | W50-M87 HydrophobicContact CH2-CE 4.33Å; W50-M87 HydrophobicContact CZ2-CE 4.48Å; F79-M87 HydrophobicContact CD2-CE 3.67Å; F79-M87 HydrophobicContact CD2-SD 4.39Å; F79-M87 HydrophobicContact CE2-CE 3.69Å; F79-M87 HydrophobicContact CE2-SD 3.88Å; F79-M87 HydrophobicContact CG-CE 4.39Å; F79-M87 HydrophobicContact CZ-CE 4.43Å; F79-M87 HydrophobicContact CZ-SD 4.1Å; S83-M87 WeakPolarHBondContact O-CB 3.32Å; S83-M87 PolarHBondContact O-N 3.23Å; S84-M87 PolarHBondContact O-N 3.11Å; Q85-M87 VanDerWaalsContact C-N 3.34Å; Q85-M87 PolarHBondContact O-N 3.44Å; M87-Q89 VanDerWaalsContact C-N 3.35Å; M87-Q89 PolarHBondContact O-N 3.49Å; M87-I90 PolarHBondContact O-N 2.99Å; M87-L91 HydrophobicContact CG-CD1 3.92Å; M87-L91 WeakPolarHBondContact O-CB 3.42Å; M87-L91 PolarHBondContact O-N 2.85Å |
| 88 | R | 93.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 77.2 Ų | 77.2 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.3 | -46 | 174.6 | -72.9 | -168.3 | -54.1 | -99 | 14 | 111.9 | E46 E49 W50 I53 S84 Q85 I90 L91 K92 | E46-R88 IonicContact OE1-CZ 3.37Å; E46-R88 IonicContact OE1-NH1 2.97Å; E46-R88 PolarHBondContact OE1-NH1 3.49Å; E46-R88 IonicContact OE1-NH2 2.89Å; E46-R88 PolarHBondContact OE1-NH2 2.98Å; E46-R88 IonicContact OE2-NH1 3.76Å; E49-R88 IonicContact OE2-CZ 3.23Å; E49-R88 VanDerWaalsContact OE2-CZ 3.23Å; E49-R88 IonicContact OE2-NE 2.75Å; E49-R88 PolarHBondContact OE2-NE 3.05Å; E49-R88 IonicContact OE2-NH2 2.87Å; E49-R88 PolarHBondContact OE2-NH2 3.35Å; W50-R88 HydrophobicContact CD2-CG 4.1Å; W50-R88 VanDerWaalsContact CE2-CD 3.47Å; W50-R88 HydrophobicContact CE3-CG 4.27Å; W50-R88 HydrophobicContact CH2-CG 3.69Å; W50-R88 HydrophobicContact CZ2-CG 3.48Å; W50-R88 VanDerWaalsContact CZ2-CG 3.48Å; W50-R88 HydrophobicContact CZ3-CG 4.07Å; I53-R88 HydrophobicContact CD1-CB 3.66Å; I53-R88 HydrophobicContact CD1-CG 3.93Å; I53-R88 WeakPolarHBondContact CD1-O 3.29Å; S84-R88 WeakPolarHBondContact O-CG 3.34Å; S84-R88 PolarHBondContact O-N 3.45Å; S84-R88 PolarHBondContact OG-NH1 3.43Å; Q85-R88 PolarHBondContact O-N 3.35Å; R88-I90 PolarHBondContact O-N 3.24Å; R88-L91 PolarHBondContact O-N 3.26Å; R88-K92 WeakPolarHBondContact O-CB 3.36Å; R88-K92 PolarHBondContact O-N 3.5Å |
| 89 | Q | 95.8 | Very high | 93.9 | Very high | 108 Ų | 108 | 75.5 Ų | 75.5 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 178.3 | -173.9 | 59.2 | 43.7 | 0 | 0 | 112 | Q85 K86 M87 K92 T93 | Q85-Q89 PolarHBondContact O-N 3.04Å; K86-Q89 PolarHBondContact O-N 3.29Å; M87-Q89 VanDerWaalsContact C-N 3.35Å; M87-Q89 PolarHBondContact O-N 3.49Å; Q89-K92 PolarHBondContact O-N 2.98Å; Q89-T93 PolarHBondContact NE2-OG1 2.86Å; Q89-T93 VanDerWaalsContact NE2-OG1 3.15Å; Q89-T93 WeakPolarHBondContact O-CB 3.41Å; Q89-T93 PolarHBondContact O-N 3Å; Q89-T93 PolarHBondContact O-OG1 3Å |
| 90 | I | 96.6 | Very high | 94.3 | Very high | 103 Ų | 103 | 76.7 Ų | 76.7 | 53% | 0.528 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.3 | -47.6 | 177 | -70.2 | 165.5 | 0 | 0 | 0 | 110.6 | K86 M87 R88 K92 T93 L94 | K86-I90 HydrophobicContact CG-CD1 4.01Å; K86-I90 VanDerWaalsContact O-CG1 3.26Å; K86-I90 WeakPolarHBondContact O-CG1 3.35Å; K86-I90 PolarHBondContact O-N 3.33Å; M87-I90 PolarHBondContact O-N 2.99Å; R88-I90 PolarHBondContact O-N 3.24Å; I90-K92 PolarHBondContact O-N 2.99Å; I90-T93 PolarHBondContact O-N 3.09Å; I90-L94 VanDerWaalsContact O-CB 3.25Å; I90-L94 WeakPolarHBondContact O-CB 3.43Å; I90-L94 PolarHBondContact O-N 2.98Å |
| 91 | L | 94.8 | Very high | 94.6 | Very high | 42 Ų | 42 | 76.8 Ų | 76.8 | 22% | 0.22 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 177.5 | -91.7 | 149.8 | 0 | 0 | 0 | 111.8 | W50 I53 M87 R88 L94 M95 | W50-L91 HydrophobicContact CH2-CD1 4.43Å; W50-L91 HydrophobicContact CZ3-CD1 4.36Å; I53-L91 HydrophobicContact CG2-CB 4.37Å; M87-L91 HydrophobicContact CG-CD1 3.92Å; M87-L91 WeakPolarHBondContact O-CB 3.42Å; M87-L91 PolarHBondContact O-N 2.85Å; R88-L91 PolarHBondContact O-N 3.26Å; L91-L94 PolarHBondContact O-N 2.84Å; L91-M95 WeakPolarHBondContact O-CG 3.49Å; L91-M95 PolarHBondContact O-N 2.66Å |
| 92 | K | 95.4 | Very high | 95 | Very high | 70 Ų | 70 | 76.1 Ų | 76.1 | 30% | 0.304 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.8 | -54.1 | 178 | -179 | 173.9 | 177.5 | 174 | 0 | 111.3 | I53 L56 R88 Q89 I90 L94 M95 E96 | I53-K92 HydrophobicContact CG1-CB 4.15Å; L56-K92 HydrophobicContact CD1-CG 4.21Å; R88-K92 WeakPolarHBondContact O-CB 3.36Å; R88-K92 PolarHBondContact O-N 3.5Å; Q89-K92 PolarHBondContact O-N 2.98Å; I90-K92 PolarHBondContact O-N 2.99Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.49Å; K92-M95 PolarHBondContact O-N 3.5Å; K92-E96 WeakPolarHBondContact CE-OE1 3.28Å; K92-E96 HydrophobicContact CG-CG 4.47Å; K92-E96 IonicContact NZ-OE1 2.59Å; K92-E96 WeakPolarHBondContact O-CG 3.45Å; K92-E96 PolarHBondContact O-N 3Å |
| 93 | T | 96.6 | Very high | 95.2 | Very high | 68 Ų | 68 | 71 Ų | 71 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.1 | -39.2 | -180 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | Q89 I90 E97 | Q89-T93 PolarHBondContact NE2-OG1 2.86Å; Q89-T93 VanDerWaalsContact NE2-OG1 3.15Å; Q89-T93 WeakPolarHBondContact O-CB 3.41Å; Q89-T93 PolarHBondContact O-N 3Å; Q89-T93 PolarHBondContact O-OG1 3Å; I90-T93 PolarHBondContact O-N 3.09Å; T93-E97 WeakPolarHBondContact O-CB 3.44Å; T93-E97 PolarHBondContact O-N 2.9Å |
| 94 | L | 96.4 | Very high | 95.4 | Very high | 99 Ų | 99 | 73.5 Ų | 73.5 | 52% | 0.518 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.9 | -179.4 | 64.5 | 0 | 0 | 0 | 112 | I90 L91 K92 T98 | I90-L94 VanDerWaalsContact O-CB 3.25Å; I90-L94 WeakPolarHBondContact O-CB 3.43Å; I90-L94 PolarHBondContact O-N 2.98Å; L91-L94 PolarHBondContact O-N 2.84Å; K92-L94 VanDerWaalsContact C-N 3.3Å; K92-L94 PolarHBondContact O-N 3.49Å; L94-T98 WeakPolarHBondContact O-CB 3.29Å; L94-T98 PolarHBondContact O-N 3.31Å; L94-T98 PolarHBondContact O-OG1 2.95Å |
| 95 | M | 95.1 | Very high | 95.8 | Very high | 17 Ų | 17 | 77.4 Ų | 77.4 | 8% | 0.084 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.4 | -43.5 | 179 | -68.1 | -65.5 | 95.4 | 0 | 0 | 112.3 | L56 L57 H60 F62 L91 K92 E97 T98 T99 | L56-M95 HydrophobicContact CB-CB 3.95Å; L56-M95 HydrophobicContact CB-CG 4.34Å; L56-M95 HydrophobicContact CD1-CB 4.1Å; L57-M95 HydrophobicContact CD2-CG 4.47Å; L57-M95 HydrophobicContact CD2-SD 3.93Å; H60-M95 PolarHBondContact NE2-O 2.9Å; F62-M95 HydrophobicContact CE2-SD 4.48Å; L91-M95 WeakPolarHBondContact O-CG 3.49Å; L91-M95 PolarHBondContact O-N 2.66Å; K92-M95 PolarHBondContact O-N 3.5Å; M95-E97 PolarHBondContact O-N 3.5Å; M95-T98 PolarHBondContact O-N 3.09Å; M95-T99 PolarHBondContact O-N 3.29Å; M95-T99 PolarHBondContact O-OG1 3.47Å; M95-T99 VanDerWaalsContact O-OG1 3.13Å |
| 96 | E | 94.8 | Very high | 96 | Very high | 85 Ų | 85 | 80.5 Ų | 80.5 | 40% | 0.397 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 175.4 | -71.2 | 171.4 | 167.1 | 0 | 0 | 111.3 | L56 K92 T98 T99 R100 | L56-E96 HydrophobicContact CD1-CG 4.1Å; K92-E96 WeakPolarHBondContact CE-OE1 3.28Å; K92-E96 HydrophobicContact CG-CG 4.47Å; K92-E96 IonicContact NZ-OE1 2.59Å; K92-E96 WeakPolarHBondContact O-CG 3.45Å; K92-E96 PolarHBondContact O-N 3Å; E96-T98 PolarHBondContact O-N 3.37Å; E96-T99 WeakPolarHBondContact O-CB 3.45Å; E96-T99 PolarHBondContact O-N 2.9Å; E96-R100 PolarHBondContact O-N 3.37Å |
| 97 | E | 96.6 | Very high | 96.2 | Very high | 62 Ų | 62 | 78.8 Ų | 78.8 | 29% | 0.29 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 177.7 | -179.2 | 54.9 | -156.6 | 0 | 0 | 111.7 | T93 M95 T99 R100 Q101 | T93-E97 WeakPolarHBondContact O-CB 3.44Å; T93-E97 PolarHBondContact O-N 2.9Å; M95-E97 PolarHBondContact O-N 3.5Å; E97-T99 VanDerWaalsContact C-N 3.34Å; E97-T99 PolarHBondContact O-N 3.15Å; E97-R100 PolarHBondContact O-N 2.96Å; E97-R100 IonicContact OE1-CZ 3.37Å; E97-R100 IonicContact OE1-NE 2.94Å; E97-R100 PolarHBondContact OE1-NE 3.46Å; E97-R100 IonicContact OE1-NH2 2.82Å; E97-R100 PolarHBondContact OE1-NH2 3.08Å; E97-R100 IonicContact OE2-CZ 3.47Å; E97-R100 IonicContact OE2-NE 3.5Å; E97-R100 PolarHBondContact OE2-NE 3.45Å; E97-R100 IonicContact OE2-NH2 2.66Å; E97-R100 PolarHBondContact OE2-NH2 3.35Å; E97-Q101 WeakPolarHBondContact O-CB 3.15Å; E97-Q101 VanDerWaalsContact O-CG 3.29Å; E97-Q101 WeakPolarHBondContact O-CG 3.39Å; E97-Q101 PolarHBondContact O-N 2.84Å; E97-Q101 WeakPolarHBondContact OE1-CG 3.25Å; E97-Q101 PolarHBondContact OE1-NE2 3.31Å |
| 98 | T | 94.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 81.4 Ų | 81.4 | 24% | 0.239 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 174.1 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | L94 M95 E96 Q101 Q102 | L94-T98 WeakPolarHBondContact O-CB 3.29Å; L94-T98 PolarHBondContact O-N 3.31Å; L94-T98 PolarHBondContact O-OG1 2.95Å; M95-T98 PolarHBondContact O-N 3.09Å; E96-T98 PolarHBondContact O-N 3.37Å; T98-Q101 PolarHBondContact O-N 2.97Å; T98-Q102 HydrophobicContact CG2-CG 4.48Å; T98-Q102 WeakPolarHBondContact O-CB 3.46Å; T98-Q102 VanDerWaalsContact O-CG 3.29Å; T98-Q102 WeakPolarHBondContact O-CG 3.41Å; T98-Q102 PolarHBondContact O-N 3.44Å |
| 99 | T | 94.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 85.3 Ų | 85.3 | 37% | 0.368 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 175.3 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | H60 M95 E96 E97 Q101 Q102 S103 | H60-T99 PolarHBondContact CE1-OG1 3.46Å; H60-T99 PolarHBondContact NE2-OG1 2.98Å; M95-T99 PolarHBondContact O-N 3.29Å; M95-T99 PolarHBondContact O-OG1 3.47Å; M95-T99 VanDerWaalsContact O-OG1 3.13Å; E96-T99 WeakPolarHBondContact O-CB 3.45Å; E96-T99 PolarHBondContact O-N 2.9Å; E97-T99 VanDerWaalsContact C-N 3.34Å; E97-T99 PolarHBondContact O-N 3.15Å; T99-Q101 VanDerWaalsContact C-N 3.34Å; T99-Q101 PolarHBondContact O-N 3.26Å; T99-Q102 PolarHBondContact O-N 3.4Å; T99-S103 PolarHBondContact O-N 2.99Å |
| 100 | R | 96.8 | Very high | 96.8 | Very high | 127 Ų | 127 | 86.3 Ų | 86.3 | 48% | 0.479 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 179.8 | -168.9 | -171.8 | 72.1 | 82.3 | 1.8 | 111.5 | E96 E97 S103 M104 | E96-R100 PolarHBondContact O-N 3.37Å; E97-R100 PolarHBondContact O-N 2.96Å; E97-R100 IonicContact OE1-CZ 3.37Å; E97-R100 IonicContact OE1-NE 2.94Å; E97-R100 PolarHBondContact OE1-NE 3.46Å; E97-R100 IonicContact OE1-NH2 2.82Å; E97-R100 PolarHBondContact OE1-NH2 3.08Å; E97-R100 IonicContact OE2-CZ 3.47Å; E97-R100 IonicContact OE2-NE 3.5Å; E97-R100 PolarHBondContact OE2-NE 3.45Å; E97-R100 IonicContact OE2-NH2 2.66Å; E97-R100 PolarHBondContact OE2-NH2 3.35Å; R100-S103 PolarHBondContact O-N 3.26Å; R100-M104 VanDerWaalsContact NH1-CE 3.3Å; R100-M104 PolarHBondContact O-N 2.82Å |
| 101 | Q | 97.3 | Very high | 96.9 | Very high | 92 Ų | 92 | 85 Ų | 85 | 43% | 0.43 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 177 | -72.2 | 178.1 | 4.3 | 0 | 0 | 111.9 | E97 T98 T99 S103 M104 I105 | E97-Q101 WeakPolarHBondContact O-CB 3.15Å; E97-Q101 VanDerWaalsContact O-CG 3.29Å; E97-Q101 WeakPolarHBondContact O-CG 3.39Å; E97-Q101 PolarHBondContact O-N 2.84Å; E97-Q101 WeakPolarHBondContact OE1-CG 3.25Å; E97-Q101 PolarHBondContact OE1-NE2 3.31Å; T98-Q101 PolarHBondContact O-N 2.97Å; T99-Q101 VanDerWaalsContact C-N 3.34Å; T99-Q101 PolarHBondContact O-N 3.26Å; Q101-S103 VanDerWaalsContact C-N 3.33Å; Q101-S103 PolarHBondContact O-N 3.08Å; Q101-M104 PolarHBondContact O-N 2.92Å; Q101-I105 VanDerWaalsContact O-CG1 3.28Å; Q101-I105 WeakPolarHBondContact O-CG1 3.28Å; Q101-I105 PolarHBondContact O-N 3.32Å |
| 102 | Q | 96.1 | Very high | 97.1 | Very high | 94 Ų | 94 | 86.4 Ų | 86.4 | 44% | 0.439 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 175.7 | -75.3 | 177 | -11.3 | 0 | 0 | 112.5 | T98 T99 R106 | T98-Q102 HydrophobicContact CG2-CG 4.48Å; T98-Q102 WeakPolarHBondContact O-CB 3.46Å; T98-Q102 VanDerWaalsContact O-CG 3.29Å; T98-Q102 WeakPolarHBondContact O-CG 3.41Å; T98-Q102 PolarHBondContact O-N 3.44Å; T99-Q102 PolarHBondContact O-N 3.4Å; Q102-R106 WeakPolarHBondContact O-CB 3.44Å; Q102-R106 PolarHBondContact O-N 3.36Å; Q102-R106 VanDerWaalsContact O-N 3.09Å |
| 103 | S | 97.1 | Very high | 97.2 | Very high | 45 Ų | 45 | 88.8 Ų | 88.8 | 32% | 0.315 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.7 | -49.8 | 173.9 | -160.7 | 0 | 0 | 0 | 0 | 111.2 | T99 R100 Q101 I105 R106 E107 | T99-S103 PolarHBondContact O-N 2.99Å; R100-S103 PolarHBondContact O-N 3.26Å; Q101-S103 VanDerWaalsContact C-N 3.33Å; Q101-S103 PolarHBondContact O-N 3.08Å; S103-I105 VanDerWaalsContact C-N 3.33Å; S103-I105 PolarHBondContact O-N 3.4Å; S103-R106 WeakPolarHBondContact O-CB 2.89Å; S103-R106 PolarHBondContact O-N 3.05Å; S103-R106 VanDerWaalsContact O-N 3.08Å; S103-E107 WeakPolarHBondContact O-CG 3.33Å; S103-E107 PolarHBondContact O-N 3.37Å; S103-E107 PolarHBondContact OG-OE1 3.42Å |
| 104 | M | 98.4 | Very high | 97.3 | Very high | 101 Ų | 101 | 90.6 Ų | 90.6 | 50% | 0.498 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 179.5 | -176.3 | -174.9 | -62.5 | 0 | 0 | 112.2 | R100 Q101 R106 E107 L108 | R100-M104 VanDerWaalsContact NH1-CE 3.3Å; R100-M104 PolarHBondContact O-N 2.82Å; Q101-M104 PolarHBondContact O-N 2.92Å; M104-R106 VanDerWaalsContact C-N 3.31Å; M104-R106 PolarHBondContact O-N 2.79Å; M104-E107 PolarHBondContact O-N 3.03Å; M104-L108 VanDerWaalsContact O-CB 3.28Å; M104-L108 WeakPolarHBondContact O-CB 3.2Å; M104-L108 PolarHBondContact O-N 2.88Å |
| 105 | I | 98.4 | Very high | 97.5 | Very high | 100 Ų | 100 | 90.9 Ų | 90.9 | 51% | 0.513 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 176.7 | -70.7 | 165.7 | 0 | 0 | 0 | 110.4 | Q101 S103 L108 I109 | Q101-I105 VanDerWaalsContact O-CG1 3.28Å; Q101-I105 WeakPolarHBondContact O-CG1 3.28Å; Q101-I105 PolarHBondContact O-N 3.32Å; S103-I105 VanDerWaalsContact C-N 3.33Å; S103-I105 PolarHBondContact O-N 3.4Å; I105-L108 PolarHBondContact O-N 2.96Å; I105-I109 HydrophobicContact CG2-CD1 3.83Å; I105-I109 HydrophobicContact CG2-CG1 4.5Å; I105-I109 VanDerWaalsContact O-CG1 3.25Å; I105-I109 WeakPolarHBondContact O-CG1 3.36Å; I105-I109 PolarHBondContact O-N 3.36Å |
| 106 | R | 98.4 | Very high | 97.6 | Very high | 169 Ų | 169 | 96.3 Ų | 96.3 | 64% | 0.638 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.3 | -48.7 | 178.4 | -170.7 | -173.2 | -57 | 152.2 | 4.4 | 111.6 | Q102 S103 M104 L108 I109 E110 | Q102-R106 WeakPolarHBondContact O-CB 3.44Å; Q102-R106 PolarHBondContact O-N 3.36Å; Q102-R106 VanDerWaalsContact O-N 3.09Å; S103-R106 WeakPolarHBondContact O-CB 2.89Å; S103-R106 PolarHBondContact O-N 3.05Å; S103-R106 VanDerWaalsContact O-N 3.08Å; M104-R106 VanDerWaalsContact C-N 3.31Å; M104-R106 PolarHBondContact O-N 2.79Å; R106-L108 VanDerWaalsContact C-N 3.29Å; R106-L108 PolarHBondContact O-N 3.4Å; R106-I109 PolarHBondContact O-N 3.45Å; R106-E110 PolarHBondContact O-N 3.03Å |
| 107 | E | 98.6 | Very high | 97.8 | Very high | 106 Ų | 106 | 95.6 Ų | 95.6 | 50% | 0.495 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 176.7 | -71 | 164.5 | -143.1 | 0 | 0 | 111.3 | S103 M104 E110 T111 | S103-E107 WeakPolarHBondContact O-CG 3.33Å; S103-E107 PolarHBondContact O-N 3.37Å; S103-E107 PolarHBondContact OG-OE1 3.42Å; M104-E107 PolarHBondContact O-N 3.03Å; E107-E110 PolarHBondContact O-N 3.19Å; E107-T111 WeakPolarHBondContact O-CB 3.36Å; E107-T111 VanDerWaalsContact O-CG2 3.27Å; E107-T111 WeakPolarHBondContact O-CG2 3.14Å; E107-T111 PolarHBondContact O-N 2.87Å; E107-T111 PolarHBondContact O-OG1 3.13Å |
| 108 | L | 98.8 | Very high | 97.9 | Very high | 115 Ų | 115 | 97 Ų | 97 | 60% | 0.602 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.1 | -40.4 | 175.9 | -174.1 | 64.5 | 0 | 0 | 0 | 112.1 | M104 I105 R106 T111 N112 | M104-L108 VanDerWaalsContact O-CB 3.28Å; M104-L108 WeakPolarHBondContact O-CB 3.2Å; M104-L108 PolarHBondContact O-N 2.88Å; I105-L108 PolarHBondContact O-N 2.96Å; R106-L108 VanDerWaalsContact C-N 3.29Å; R106-L108 PolarHBondContact O-N 3.4Å; L108-T111 WeakPolarHBondContact CA-OG1 3.28Å; L108-T111 PolarHBondContact O-OG1 3.48Å; L108-T111 VanDerWaalsContact O-OG1 3.05Å; L108-N112 WeakPolarHBondContact O-CB 3.27Å; L108-N112 PolarHBondContact O-N 3.06Å |
| 109 | I | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 100 Ų | 100 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 175.9 | -70.9 | 165 | 0 | 0 | 0 | 110.3 | I105 R106 N112 Q113 | I105-I109 HydrophobicContact CG2-CD1 3.83Å; I105-I109 HydrophobicContact CG2-CG1 4.5Å; I105-I109 VanDerWaalsContact O-CG1 3.25Å; I105-I109 WeakPolarHBondContact O-CG1 3.36Å; I105-I109 PolarHBondContact O-N 3.36Å; R106-I109 PolarHBondContact O-N 3.45Å; I109-N112 PolarHBondContact O-N 2.97Å; I109-Q113 WeakPolarHBondContact O-CG 3.43Å; I109-Q113 PolarHBondContact O-N 3.01Å |
| 110 | E | 98.7 | Very high | 98.3 | Very high | 128 Ų | 128 | 102.9 Ų | 102.9 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -50.3 | -179.8 | -176.8 | 174.1 | -168.9 | 0 | 0 | 111.5 | R106 E107 N112 Q113 Q114 | R106-E110 PolarHBondContact O-N 3.03Å; E107-E110 PolarHBondContact O-N 3.19Å; E110-N112 VanDerWaalsContact C-N 3.31Å; E110-N112 PolarHBondContact O-N 3.15Å; E110-Q113 WeakPolarHBondContact O-CB 3.39Å; E110-Q113 PolarHBondContact O-N 2.96Å; E110-Q113 VanDerWaalsContact O-N 3.15Å; E110-Q114 PolarHBondContact O-N 2.85Å |
| 111 | T | 98.7 | Very high | 98.4 | Very high | 75 Ų | 75 | 102.4 Ų | 102.4 | 46% | 0.46 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 176.7 | 52.1 | 0 | 0 | 0 | 0 | 112 | E107 L108 Q113 Q114 L115 | E107-T111 WeakPolarHBondContact O-CB 3.36Å; E107-T111 VanDerWaalsContact O-CG2 3.27Å; E107-T111 WeakPolarHBondContact O-CG2 3.14Å; E107-T111 PolarHBondContact O-N 2.87Å; E107-T111 PolarHBondContact O-OG1 3.13Å; L108-T111 WeakPolarHBondContact CA-OG1 3.28Å; L108-T111 PolarHBondContact O-OG1 3.48Å; L108-T111 VanDerWaalsContact O-OG1 3.05Å; T111-Q113 PolarHBondContact O-N 2.9Å; T111-Q114 PolarHBondContact O-N 2.98Å; T111-L115 WeakPolarHBondContact O-CB 3.43Å; T111-L115 VanDerWaalsContact O-CG 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.5Å; T111-L115 PolarHBondContact O-N 3.05Å |
| 112 | N | 98.8 | Very high | 98.5 | Very high | 73 Ų | 73 | 101.6 Ų | 101.6 | 39% | 0.39 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 175.7 | -169.7 | -96 | 0 | 0 | 0 | 112.7 | L108 I109 E110 K116 | L108-N112 WeakPolarHBondContact O-CB 3.27Å; L108-N112 PolarHBondContact O-N 3.06Å; I109-N112 PolarHBondContact O-N 2.97Å; E110-N112 VanDerWaalsContact C-N 3.31Å; E110-N112 PolarHBondContact O-N 3.15Å; N112-K116 WeakPolarHBondContact O-CG 3.28Å; N112-K116 PolarHBondContact O-N 2.89Å; N112-K116 WeakPolarHBondContact OD1-CE 3.49Å; N112-K116 PolarHBondContact OD1-NZ 3.23Å |
| 113 | Q | 98.8 | Very high | 98.6 | Very high | 120 Ų | 120 | 102.6 Ų | 102.6 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.6 | -41.5 | 175.7 | -73.1 | 174.1 | 2.2 | 0 | 0 | 111.7 | I109 E110 T111 K116 S117 | I109-Q113 WeakPolarHBondContact O-CG 3.43Å; I109-Q113 PolarHBondContact O-N 3.01Å; E110-Q113 WeakPolarHBondContact O-CB 3.39Å; E110-Q113 PolarHBondContact O-N 2.96Å; E110-Q113 VanDerWaalsContact O-N 3.15Å; T111-Q113 PolarHBondContact O-N 2.9Å; Q113-K116 PolarHBondContact O-N 3.48Å; Q113-S117 PolarHBondContact O-N 3.46Å; Q113-S117 VanDerWaalsContact O-N 3.13Å; Q113-S117 PolarHBondContact O-OG 3.08Å |
| 114 | Q | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 105.1 Ų | 105.1 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 175 | -178.7 | 59.4 | 22.6 | 0 | 0 | 111.1 | E110 T111 K116 S117 E118 | E110-Q114 PolarHBondContact O-N 2.85Å; T111-Q114 PolarHBondContact O-N 2.98Å; Q114-K116 VanDerWaalsContact C-N 3.31Å; Q114-K116 PolarHBondContact O-N 2.92Å; Q114-S117 WeakPolarHBondContact O-CB 3.29Å; Q114-S117 PolarHBondContact O-N 3.35Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.41Å; Q114-E118 PolarHBondContact NE2-OE1 3.42Å; Q114-E118 PolarHBondContact O-N 3.21Å |
| 115 | L | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 106.6 Ų | 106.6 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.8 | -38.3 | 178 | -73.6 | 172.5 | 0 | 0 | 0 | 112.8 | T111 S117 E118 L119 | T111-L115 WeakPolarHBondContact O-CB 3.43Å; T111-L115 VanDerWaalsContact O-CG 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.5Å; T111-L115 PolarHBondContact O-N 3.05Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-E118 PolarHBondContact O-N 2.93Å; L115-L119 VanDerWaalsContact O-CB 3.29Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 PolarHBondContact O-N 3.37Å |
| 116 | K | 98.8 | Very high | 98.7 | Very high | 131 Ų | 131 | 104.4 Ų | 104.4 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | 174.1 | -80.3 | 170.3 | 174.6 | 158.3 | 0 | 112.1 | N112 Q113 Q114 L119 Q120 | N112-K116 WeakPolarHBondContact O-CG 3.28Å; N112-K116 PolarHBondContact O-N 2.89Å; N112-K116 WeakPolarHBondContact OD1-CE 3.49Å; N112-K116 PolarHBondContact OD1-NZ 3.23Å; Q113-K116 PolarHBondContact O-N 3.48Å; Q114-K116 VanDerWaalsContact C-N 3.31Å; Q114-K116 PolarHBondContact O-N 2.92Å; K116-L119 PolarHBondContact O-N 3.37Å; K116-Q120 PolarHBondContact O-N 3.49Å |
| 117 | S | 98.7 | Very high | 98.7 | Very high | 69 Ų | 69 | 98.9 Ų | 98.9 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 179.3 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | Q113 Q114 L115 Q120 L121 | Q113-S117 PolarHBondContact O-N 3.46Å; Q113-S117 VanDerWaalsContact O-N 3.13Å; Q113-S117 PolarHBondContact O-OG 3.08Å; Q114-S117 WeakPolarHBondContact O-CB 3.29Å; Q114-S117 PolarHBondContact O-N 3.35Å; L115-S117 VanDerWaalsContact C-N 3.33Å; S117-Q120 PolarHBondContact O-N 3.37Å; S117-L121 PolarHBondContact O-N 3.37Å |
| 118 | E | 98.8 | Very high | 98.7 | Very high | 92 Ų | 92 | 100.1 Ų | 100.1 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 174.8 | -72.3 | 175.4 | -166.1 | 0 | 0 | 111.9 | Q114 L115 Q120 L121 E122 | Q114-E118 WeakPolarHBondContact CG-OE1 3.41Å; Q114-E118 PolarHBondContact NE2-OE1 3.42Å; Q114-E118 PolarHBondContact O-N 3.21Å; L115-E118 PolarHBondContact O-N 2.93Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 2.91Å; E118-L121 WeakPolarHBondContact O-CB 3.43Å; E118-L121 PolarHBondContact O-N 2.85Å; E118-E122 WeakPolarHBondContact O-CB 3.28Å; E118-E122 WeakPolarHBondContact O-CG 3.44Å; E118-E122 PolarHBondContact O-N 3.02Å |
| 119 | L | 98.7 | Very high | 98.7 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 53% | 0.529 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 176.1 | 178.8 | 62.8 | 0 | 0 | 0 | 111.6 | L115 K116 E122 Q123 | L115-L119 VanDerWaalsContact O-CB 3.29Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 PolarHBondContact O-N 3.37Å; K116-L119 PolarHBondContact O-N 3.37Å; L119-E122 PolarHBondContact O-N 3.49Å; L119-Q123 HydrophobicContact CD1-CG 4.45Å; L119-Q123 WeakPolarHBondContact O-CB 3.48Å; L119-Q123 VanDerWaalsContact O-CG 3.28Å; L119-Q123 WeakPolarHBondContact O-CG 3.45Å; L119-Q123 PolarHBondContact O-N 3.4Å |
| 120 | Q | 98.7 | Very high | 98.7 | Very high | 122 Ų | 122 | 102.2 Ų | 102.2 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -41.6 | 177.7 | -175 | 178.5 | -5.1 | 0 | 0 | 111.8 | K116 S117 E118 E122 Q123 N124 | K116-Q120 PolarHBondContact O-N 3.49Å; S117-Q120 PolarHBondContact O-N 3.37Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 2.91Å; Q120-E122 VanDerWaalsContact C-N 3.34Å; Q120-E122 PolarHBondContact O-N 2.94Å; Q120-Q123 PolarHBondContact O-N 3.4Å; Q120-N124 VanDerWaalsContact O-CG 3.32Å; Q120-N124 PolarHBondContact O-N 3.39Å; Q120-N124 VanDerWaalsContact O-N 3.08Å; Q120-N124 PolarHBondContact O-ND2 3.49Å |
| 121 | L | 98.7 | Very high | 98.7 | Very high | 116 Ų | 116 | 101 Ų | 101 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.4 | -45.2 | 175.8 | -179.5 | 66.1 | 0 | 0 | 0 | 111.3 | S117 E118 N124 R125 | S117-L121 PolarHBondContact O-N 3.37Å; E118-L121 WeakPolarHBondContact O-CB 3.43Å; E118-L121 PolarHBondContact O-N 2.85Å; L121-N124 PolarHBondContact O-N 3.02Å; L121-R125 PolarHBondContact O-N 2.92Å |
| 122 | E | 98.6 | Very high | 98.7 | Very high | 75 Ų | 75 | 105 Ų | 105 | 35% | 0.35 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 178.7 | -76.8 | -58.6 | 144.5 | 0 | 0 | 112.8 | E118 L119 Q120 N124 R125 A126 | E118-E122 WeakPolarHBondContact O-CB 3.28Å; E118-E122 WeakPolarHBondContact O-CG 3.44Å; E118-E122 PolarHBondContact O-N 3.02Å; L119-E122 PolarHBondContact O-N 3.49Å; Q120-E122 VanDerWaalsContact C-N 3.34Å; Q120-E122 PolarHBondContact O-N 2.94Å; E122-N124 VanDerWaalsContact C-N 3.34Å; E122-N124 PolarHBondContact O-N 3.43Å; E122-R125 PolarHBondContact O-N 3.35Å; E122-R125 IonicContact OE1-CZ 2.68Å; E122-R125 IonicContact OE1-NE 2.82Å; E122-R125 IonicContact OE1-NH1 3.78Å; E122-R125 PolarHBondContact OE1-NH1 3.12Å; E122-R125 IonicContact OE1-NH2 3.73Å; E122-R125 PolarHBondContact OE1-NH2 3.38Å; E122-R125 IonicContact OE2-CZ 3.63Å; E122-R125 IonicContact OE2-NE 2.94Å; E122-R125 PolarHBondContact OE2-NE 2.85Å; E122-R125 IonicContact OE2-NH1 2.89Å; E122-R125 IonicContact OE2-NH2 3.29Å; E122-R125 PolarHBondContact OE2-NH2 2.94Å; E122-A126 WeakPolarHBondContact O-CB 3.4Å; E122-A126 PolarHBondContact O-N 3.46Å |
| 123 | Q | 98.6 | Very high | 98.7 | Very high | 115 Ų | 115 | 104.1 Ų | 104.1 | 54% | 0.537 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 174.1 | -76.6 | 174.5 | -14.5 | 0 | 0 | 111.8 | L119 Q120 R125 A126 A127 | L119-Q123 HydrophobicContact CD1-CG 4.45Å; L119-Q123 WeakPolarHBondContact O-CB 3.48Å; L119-Q123 VanDerWaalsContact O-CG 3.28Å; L119-Q123 WeakPolarHBondContact O-CG 3.45Å; L119-Q123 PolarHBondContact O-N 3.4Å; Q120-Q123 PolarHBondContact O-N 3.4Å; Q123-R125 VanDerWaalsContact C-N 3.33Å; Q123-R125 PolarHBondContact O-N 2.84Å; Q123-A126 PolarHBondContact O-N 3.21Å; Q123-A127 WeakPolarHBondContact O-CB 3.49Å; Q123-A127 PolarHBondContact O-N 2.94Å |
| 124 | N | 98.6 | Very high | 98.7 | Very high | 99 Ų | 99 | 102.5 Ų | 102.5 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 176.2 | -69.6 | -29.7 | 0 | 0 | 0 | 111.6 | Q120 L121 E122 A127 H128 | Q120-N124 VanDerWaalsContact O-CG 3.32Å; Q120-N124 PolarHBondContact O-N 3.39Å; Q120-N124 VanDerWaalsContact O-N 3.08Å; Q120-N124 PolarHBondContact O-ND2 3.49Å; L121-N124 PolarHBondContact O-N 3.02Å; E122-N124 VanDerWaalsContact C-N 3.34Å; E122-N124 PolarHBondContact O-N 3.43Å; N124-A127 PolarHBondContact O-N 2.68Å; N124-H128 WeakPolarHBondContact O-CB 3.47Å; N124-H128 PolarHBondContact O-N 3.47Å |
| 125 | R | 98.8 | Very high | 98.7 | Very high | 132 Ų | 132 | 100.9 Ų | 100.9 | 50% | 0.498 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 177.1 | -169.9 | 175.4 | 76.1 | -162.6 | 6.9 | 111.4 | L121 E122 Q123 H128 Q129 | L121-R125 PolarHBondContact O-N 2.92Å; E122-R125 PolarHBondContact O-N 3.35Å; E122-R125 IonicContact OE1-CZ 2.68Å; E122-R125 IonicContact OE1-NE 2.82Å; E122-R125 IonicContact OE1-NH1 3.78Å; E122-R125 PolarHBondContact OE1-NH1 3.12Å; E122-R125 IonicContact OE1-NH2 3.73Å; E122-R125 PolarHBondContact OE1-NH2 3.38Å; E122-R125 IonicContact OE2-CZ 3.63Å; E122-R125 IonicContact OE2-NE 2.94Å; E122-R125 PolarHBondContact OE2-NE 2.85Å; E122-R125 IonicContact OE2-NH1 2.89Å; E122-R125 IonicContact OE2-NH2 3.29Å; E122-R125 PolarHBondContact OE2-NH2 2.94Å; Q123-R125 VanDerWaalsContact C-N 3.33Å; Q123-R125 PolarHBondContact O-N 2.84Å; R125-H128 PolarHBondContact O-N 3.38Å; R125-Q129 WeakPolarHBondContact O-CG 3.48Å; R125-Q129 PolarHBondContact O-N 2.98Å |
| 126 | A | 98.7 | Very high | 98.7 | Very high | 53 Ų | 53 | 100.1 Ų | 100.1 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E122 Q123 H128 Q129 E130 | E122-A126 WeakPolarHBondContact O-CB 3.4Å; E122-A126 PolarHBondContact O-N 3.46Å; Q123-A126 PolarHBondContact O-N 3.21Å; A126-H128 VanDerWaalsContact C-N 3.33Å; A126-H128 PolarHBondContact O-N 3Å; A126-Q129 PolarHBondContact O-N 2.59Å; A126-Q129 VanDerWaalsContact O-N 3.12Å; A126-E130 WeakPolarHBondContact O-CB 3.41Å; A126-E130 PolarHBondContact O-N 3.29Å |
| 127 | A | 98.6 | Very high | 98.7 | Very high | 53 Ų | 53 | 98 Ų | 98 | 44% | 0.438 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q123 N124 E130 Q131 | Q123-A127 WeakPolarHBondContact O-CB 3.49Å; Q123-A127 PolarHBondContact O-N 2.94Å; N124-A127 PolarHBondContact O-N 2.68Å; A127-E130 PolarHBondContact O-N 2.81Å; A127-Q131 WeakPolarHBondContact O-CB 3.36Å; A127-Q131 PolarHBondContact O-N 3.11Å |
| 128 | H | 98.7 | Very high | 98.7 | Very high | 133 Ų | 133 | 101.4 Ų | 101.4 | 62% | 0.616 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.1 | -39.8 | 175.6 | -178.9 | -83.2 | 0 | 0 | 0 | 112.2 | N124 R125 A126 R132 | N124-H128 WeakPolarHBondContact O-CB 3.47Å; N124-H128 PolarHBondContact O-N 3.47Å; R125-H128 PolarHBondContact O-N 3.38Å; A126-H128 VanDerWaalsContact C-N 3.33Å; A126-H128 PolarHBondContact O-N 3Å; H128-R132 WeakPolarHBondContact O-CB 3.49Å; H128-R132 PolarHBondContact O-N 3.05Å |
| 129 | Q | 98.6 | Very high | 98.7 | Very high | 121 Ų | 121 | 102 Ų | 102 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 176.5 | -74.7 | -179.4 | -0.5 | 0 | 0 | 112.1 | R125 A126 R132 A133 | R125-Q129 WeakPolarHBondContact O-CG 3.48Å; R125-Q129 PolarHBondContact O-N 2.98Å; A126-Q129 PolarHBondContact O-N 2.59Å; A126-Q129 VanDerWaalsContact O-N 3.12Å; Q129-R132 PolarHBondContact O-N 3.23Å; Q129-A133 WeakPolarHBondContact O-CB 3.29Å; Q129-A133 PolarHBondContact O-N 2.92Å |
| 130 | E | 98.6 | Very high | 98.7 | Very high | 127 Ų | 127 | 101 Ų | 101 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -49.2 | 174.3 | -178.6 | 179.8 | -176.1 | 0 | 0 | 111.1 | A126 A127 R132 A133 N134 | A126-E130 WeakPolarHBondContact O-CB 3.41Å; A126-E130 PolarHBondContact O-N 3.29Å; A127-E130 PolarHBondContact O-N 2.81Å; E130-R132 VanDerWaalsContact C-N 3.32Å; E130-R132 PolarHBondContact O-N 2.92Å; E130-A133 WeakPolarHBondContact O-CB 3.48Å; E130-A133 PolarHBondContact O-N 3.19Å; E130-A133 VanDerWaalsContact O-N 3.11Å; E130-N134 PolarHBondContact O-N 3.39Å; E130-N134 PolarHBondContact O-ND2 3.31Å |
| 131 | Q | 98.6 | Very high | 98.7 | Very high | 104 Ų | 104 | 98.8 Ų | 98.8 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -56.3 | -48.2 | 176.6 | -176.3 | 60.7 | 37.4 | 0 | 0 | 111.2 | A127 A133 N134 D135 | A127-Q131 WeakPolarHBondContact O-CB 3.36Å; A127-Q131 PolarHBondContact O-N 3.11Å; Q131-A133 VanDerWaalsContact C-N 3.3Å; Q131-A133 PolarHBondContact O-N 3.36Å; Q131-N134 PolarHBondContact O-N 3.03Å; Q131-D135 PolarHBondContact NE2-OD1 3.37Å; Q131-D135 PolarHBondContact O-N 2.9Å |
| 132 | R | 98.7 | Very high | 98.7 | Very high | 159 Ų | 159 | 97.1 Ų | 97.1 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -38.1 | 178.1 | -178.1 | 174.7 | 176.4 | -95.1 | -0.8 | 112.4 | H128 Q129 E130 L136 | H128-R132 WeakPolarHBondContact O-CB 3.49Å; H128-R132 PolarHBondContact O-N 3.05Å; Q129-R132 PolarHBondContact O-N 3.23Å; E130-R132 VanDerWaalsContact C-N 3.32Å; E130-R132 PolarHBondContact O-N 2.92Å; R132-L136 HydrophobicContact CG-CD1 4.28Å; R132-L136 WeakPolarHBondContact O-CB 3.45Å; R132-L136 VanDerWaalsContact O-CG 3.29Å; R132-L136 WeakPolarHBondContact O-CG 3.35Å; R132-L136 PolarHBondContact O-N 3.44Å; R132-L136 VanDerWaalsContact O-N 3.1Å |
| 133 | A | 98.7 | Very high | 98.7 | Very high | 54 Ų | 54 | 97.2 Ų | 97.2 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q129 E130 Q131 L136 Q137 | Q129-A133 WeakPolarHBondContact O-CB 3.29Å; Q129-A133 PolarHBondContact O-N 2.92Å; E130-A133 WeakPolarHBondContact O-CB 3.48Å; E130-A133 PolarHBondContact O-N 3.19Å; E130-A133 VanDerWaalsContact O-N 3.11Å; Q131-A133 VanDerWaalsContact C-N 3.3Å; Q131-A133 PolarHBondContact O-N 3.36Å; A133-L136 PolarHBondContact O-N 2.92Å; A133-Q137 WeakPolarHBondContact O-CB 3.49Å; A133-Q137 PolarHBondContact O-N 3.1Å |
| 134 | N | 98.7 | Very high | 98.7 | Very high | 86 Ų | 86 | 97.1 Ų | 97.1 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 176.1 | -69 | -26 | 0 | 0 | 0 | 111.9 | E130 Q131 L136 Q137 Q138 | E130-N134 PolarHBondContact O-N 3.39Å; E130-N134 PolarHBondContact O-ND2 3.31Å; Q131-N134 PolarHBondContact O-N 3.03Å; N134-L136 VanDerWaalsContact C-N 3.34Å; N134-L136 PolarHBondContact O-N 3.24Å; N134-Q137 WeakPolarHBondContact O-CB 3.46Å; N134-Q137 PolarHBondContact O-N 3.35Å; N134-Q138 PolarHBondContact O-N 3.44Å |
| 135 | D | 98.7 | Very high | 98.7 | Very high | 71 Ų | 71 | 95.7 Ų | 95.7 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 177.1 | -63.9 | -19.4 | 0 | 0 | 0 | 111.1 | Q131 Q138 I139 | Q131-D135 PolarHBondContact NE2-OD1 3.37Å; Q131-D135 PolarHBondContact O-N 2.9Å; D135-Q138 PolarHBondContact O-N 3.38Å; D135-I139 WeakPolarHBondContact O-CG1 3.42Å; D135-I139 PolarHBondContact O-N 3Å |
| 136 | L | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 93.9 Ų | 93.9 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 177 | -73.8 | 172.5 | 0 | 0 | 0 | 112.3 | R132 A133 N134 I139 M140 | R132-L136 HydrophobicContact CG-CD1 4.28Å; R132-L136 WeakPolarHBondContact O-CB 3.45Å; R132-L136 VanDerWaalsContact O-CG 3.29Å; R132-L136 WeakPolarHBondContact O-CG 3.35Å; R132-L136 PolarHBondContact O-N 3.44Å; R132-L136 VanDerWaalsContact O-N 3.1Å; A133-L136 PolarHBondContact O-N 2.92Å; N134-L136 VanDerWaalsContact C-N 3.34Å; N134-L136 PolarHBondContact O-N 3.24Å; L136-I139 PolarHBondContact O-N 2.92Å; L136-M140 WeakPolarHBondContact O-CB 3.49Å; L136-M140 PolarHBondContact O-N 2.96Å |
| 137 | Q | 98.6 | Very high | 98.7 | Very high | 86 Ų | 86 | 95.3 Ų | 95.3 | 40% | 0.402 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 175.6 | -179 | 60.2 | 48.1 | 0 | 0 | 110.8 | A133 N134 I139 M140 D141 | A133-Q137 WeakPolarHBondContact O-CB 3.49Å; A133-Q137 PolarHBondContact O-N 3.1Å; N134-Q137 WeakPolarHBondContact O-CB 3.46Å; N134-Q137 PolarHBondContact O-N 3.35Å; Q137-I139 PolarHBondContact O-N 3.4Å; Q137-M140 VanDerWaalsContact CD-CE 3.42Å; Q137-M140 VanDerWaalsContact NE2-CE 3.27Å; Q137-M140 WeakPolarHBondContact O-CB 3.39Å; Q137-M140 PolarHBondContact O-N 2.96Å; Q137-D141 VanDerWaalsContact NE2-CG 3.26Å; Q137-D141 PolarHBondContact NE2-OD1 2.96Å; Q137-D141 PolarHBondContact NE2-OD2 2.93Å; Q137-D141 PolarHBondContact O-N 3.44Å |
| 138 | Q | 98.7 | Very high | 98.7 | Very high | 141 Ų | 141 | 94 Ų | 94 | 66% | 0.659 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.9 | -43.2 | 176.4 | -174.5 | -177.4 | -0.5 | 0 | 0 | 112.1 | N134 D135 M140 D141 S142 | N134-Q138 PolarHBondContact O-N 3.44Å; D135-Q138 PolarHBondContact O-N 3.38Å; Q138-M140 VanDerWaalsContact C-N 3.34Å; Q138-D141 PolarHBondContact O-N 2.91Å; Q138-S142 WeakPolarHBondContact O-CB 3.39Å; Q138-S142 PolarHBondContact O-N 3.35Å |
| 139 | I | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 91.7 Ų | 91.7 | 54% | 0.538 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.7 | -68.2 | 165.9 | 0 | 0 | 0 | 110.3 | D135 L136 Q137 D141 S142 V143 | D135-I139 WeakPolarHBondContact O-CG1 3.42Å; D135-I139 PolarHBondContact O-N 3Å; L136-I139 PolarHBondContact O-N 2.92Å; Q137-I139 PolarHBondContact O-N 3.4Å; I139-D141 VanDerWaalsContact C-N 3.34Å; I139-D141 PolarHBondContact O-N 3.39Å; I139-S142 WeakPolarHBondContact O-CB 3.45Å; I139-S142 PolarHBondContact O-N 2.99Å; I139-V143 HydrophobicContact CG2-CG2 4.49Å; I139-V143 WeakPolarHBondContact O-CG2 3.46Å; I139-V143 PolarHBondContact O-N 3.36Å |
| 140 | M | 98.7 | Very high | 98.7 | Very high | 80 Ų | 80 | 90 Ų | 90 | 39% | 0.394 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.7 | -43.2 | 178.8 | 178.5 | 175.3 | 54.6 | 0 | 0 | 111.8 | L136 Q137 Q138 S142 V143 K144 | L136-M140 WeakPolarHBondContact O-CB 3.49Å; L136-M140 PolarHBondContact O-N 2.96Å; Q137-M140 VanDerWaalsContact CD-CE 3.42Å; Q137-M140 VanDerWaalsContact NE2-CE 3.27Å; Q137-M140 WeakPolarHBondContact O-CB 3.39Å; Q137-M140 PolarHBondContact O-N 2.96Å; Q138-M140 VanDerWaalsContact C-N 3.34Å; M140-S142 VanDerWaalsContact C-N 3.34Å; M140-V143 PolarHBondContact O-N 3.2Å; M140-K144 HydrophobicContact CG-CD 4.3Å; M140-K144 WeakPolarHBondContact O-CG 3.46Å; M140-K144 PolarHBondContact O-N 3.4Å |
| 141 | D | 98.7 | Very high | 98.7 | Very high | 74 Ų | 74 | 89.9 Ų | 89.9 | 40% | 0.396 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 179.7 | -67 | -26 | 0 | 0 | 0 | 111.7 | Q137 Q138 I139 K144 S145 | Q137-D141 VanDerWaalsContact NE2-CG 3.26Å; Q137-D141 PolarHBondContact NE2-OD1 2.96Å; Q137-D141 PolarHBondContact NE2-OD2 2.93Å; Q137-D141 PolarHBondContact O-N 3.44Å; Q138-D141 PolarHBondContact O-N 2.91Å; I139-D141 VanDerWaalsContact C-N 3.34Å; I139-D141 PolarHBondContact O-N 3.39Å; D141-K144 PolarHBondContact O-N 3.3Å; D141-K144 IonicContact OD1-NZ 3.39Å; D141-S145 PolarHBondContact O-N 3.01Å |
| 142 | S | 98.8 | Very high | 98.7 | Very high | 81 Ų | 81 | 90.2 Ų | 90.2 | 57% | 0.566 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61 | -46 | 171.3 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | Q138 I139 M140 K144 S145 K146 | Q138-S142 WeakPolarHBondContact O-CB 3.39Å; Q138-S142 PolarHBondContact O-N 3.35Å; I139-S142 WeakPolarHBondContact O-CB 3.45Å; I139-S142 PolarHBondContact O-N 2.99Å; M140-S142 VanDerWaalsContact C-N 3.34Å; S142-K144 PolarHBondContact O-N 3.25Å; S142-S145 PolarHBondContact O-N 3.31Å; S142-K146 PolarHBondContact O-N 3.49Å |
| 143 | V | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 86.9 Ų | 86.9 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | I139 M140 K146 I147 | I139-V143 HydrophobicContact CG2-CG2 4.49Å; I139-V143 WeakPolarHBondContact O-CG2 3.46Å; I139-V143 PolarHBondContact O-N 3.36Å; M140-V143 PolarHBondContact O-N 3.2Å; V143-K146 PolarHBondContact O-N 3.3Å; V143-I147 HydrophobicContact CG1-CD1 3.88Å; V143-I147 HydrophobicContact CG1-CG1 4.43Å; V143-I147 WeakPolarHBondContact O-CG1 3.36Å; V143-I147 PolarHBondContact O-N 3.09Å |
| 144 | K | 98.8 | Very high | 98.6 | Very high | 113 Ų | 113 | 87 Ų | 87 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 175.8 | -75.2 | 173.3 | -176 | 165.3 | 0 | 111.8 | M140 D141 S142 K146 I147 G148 | M140-K144 HydrophobicContact CG-CD 4.3Å; M140-K144 WeakPolarHBondContact O-CG 3.46Å; M140-K144 PolarHBondContact O-N 3.4Å; D141-K144 PolarHBondContact O-N 3.3Å; D141-K144 IonicContact OD1-NZ 3.39Å; S142-K144 PolarHBondContact O-N 3.25Å; K144-K146 VanDerWaalsContact C-N 3.27Å; K144-K146 PolarHBondContact O-N 3.44Å; K144-I147 PolarHBondContact O-N 3.34Å; K144-G148 PolarHBondContact O-N 3.05Å |
| 145 | S | 98.8 | Very high | 98.6 | Very high | 69 Ų | 69 | 88.5 Ų | 88.5 | 48% | 0.483 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.4 | -45 | 174.9 | -169 | 0 | 0 | 0 | 0 | 110.6 | D141 S142 I147 G148 E149 | D141-S145 PolarHBondContact O-N 3.01Å; S142-S145 PolarHBondContact O-N 3.31Å; S145-I147 PolarHBondContact O-N 3.41Å; S145-G148 PolarHBondContact O-N 2.92Å; S145-E149 WeakPolarHBondContact O-CG 3.49Å; S145-E149 PolarHBondContact O-N 2.93Å |
| 146 | K | 98.8 | Very high | 98.6 | Very high | 94 Ų | 94 | 89.4 Ų | 89.4 | 41% | 0.409 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | -178.5 | -170.5 | 55.8 | -177.2 | 172.9 | 0 | 113.2 | S142 V143 K144 E149 L150 | S142-K146 PolarHBondContact O-N 3.49Å; V143-K146 PolarHBondContact O-N 3.3Å; K144-K146 VanDerWaalsContact C-N 3.27Å; K144-K146 PolarHBondContact O-N 3.44Å; K146-E149 VanDerWaalsContact CD-OE2 3.28Å; K146-E149 WeakPolarHBondContact CD-OE2 3.29Å; K146-E149 IonicContact NZ-OE2 2.92Å; K146-E149 PolarHBondContact NZ-OE2 2.93Å; K146-L150 HydrophobicContact CG-CD1 4.34Å; K146-L150 VanDerWaalsContact O-CG 3.27Å; K146-L150 WeakPolarHBondContact O-CG 3.28Å; K146-L150 PolarHBondContact O-N 2.82Å; K146-L150 VanDerWaalsContact O-N 3.09Å |
| 147 | I | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 91 Ų | 91 | 43% | 0.426 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 173.9 | -70.6 | 167 | 0 | 0 | 0 | 109.9 | V143 K144 S145 E149 L150 E151 | V143-I147 HydrophobicContact CG1-CD1 3.88Å; V143-I147 HydrophobicContact CG1-CG1 4.43Å; V143-I147 WeakPolarHBondContact O-CG1 3.36Å; V143-I147 PolarHBondContact O-N 3.09Å; K144-I147 PolarHBondContact O-N 3.34Å; S145-I147 PolarHBondContact O-N 3.41Å; I147-E149 PolarHBondContact O-N 3.15Å; I147-L150 PolarHBondContact O-N 2.91Å; I147-L150 VanDerWaalsContact O-N 3.1Å; I147-E151 HydrophobicContact CG2-CG 4.2Å; I147-E151 WeakPolarHBondContact O-CG 3.27Å; I147-E151 PolarHBondContact O-N 3.4Å |
| 148 | G | 98.6 | Very high | 98.6 | Very high | 25 Ų | 25 | 90.6 Ų | 90.6 | 26% | 0.258 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.3 | -45.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K144 S145 L150 E151 D152 | K144-G148 PolarHBondContact O-N 3.05Å; S145-G148 PolarHBondContact O-N 2.92Å; G148-L150 VanDerWaalsContact C-N 3.34Å; G148-L150 PolarHBondContact O-N 3.19Å; G148-E151 PolarHBondContact O-N 2.89Å; G148-D152 WeakPolarHBondContact O-CB 3.3Å; G148-D152 PolarHBondContact O-N 2.95Å |
| 149 | E | 98.6 | Very high | 98.5 | Very high | 86 Ų | 86 | 86.8 Ų | 86.8 | 40% | 0.402 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -56 | -46.4 | 174 | -72 | 170 | -160.8 | 0 | 0 | 112.3 | S145 K146 I147 D152 E153 | S145-E149 WeakPolarHBondContact O-CG 3.49Å; S145-E149 PolarHBondContact O-N 2.93Å; K146-E149 VanDerWaalsContact CD-OE2 3.28Å; K146-E149 WeakPolarHBondContact CD-OE2 3.29Å; K146-E149 IonicContact NZ-OE2 2.92Å; K146-E149 PolarHBondContact NZ-OE2 2.93Å; I147-E149 PolarHBondContact O-N 3.15Å; E149-D152 PolarHBondContact O-N 3.25Å; E149-E153 WeakPolarHBondContact O-CB 3.35Å; E149-E153 VanDerWaalsContact O-CG 3.29Å; E149-E153 WeakPolarHBondContact O-CG 3.34Å; E149-E153 PolarHBondContact O-N 3.1Å |
| 150 | L | 98.7 | Very high | 98.5 | Very high | 85 Ų | 85 | 85.6 Ų | 85.6 | 45% | 0.445 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.6 | -36.2 | -178.6 | -70.3 | 174.3 | 0 | 0 | 0 | 112.5 | K146 I147 G148 S154 | K146-L150 HydrophobicContact CG-CD1 4.34Å; K146-L150 VanDerWaalsContact O-CG 3.27Å; K146-L150 WeakPolarHBondContact O-CG 3.28Å; K146-L150 PolarHBondContact O-N 2.82Å; K146-L150 VanDerWaalsContact O-N 3.09Å; I147-L150 PolarHBondContact O-N 2.91Å; I147-L150 VanDerWaalsContact O-N 3.1Å; G148-L150 VanDerWaalsContact C-N 3.34Å; G148-L150 PolarHBondContact O-N 3.19Å; L150-S154 VanDerWaalsContact O-CB 3.3Å; L150-S154 WeakPolarHBondContact O-CB 3.42Å; L150-S154 PolarHBondContact O-N 3.34Å |
| 151 | E | 98.6 | Very high | 98.4 | Very high | 125 Ų | 125 | 87.3 Ų | 87.3 | 58% | 0.584 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.3 | -47.2 | 174.4 | -72.9 | 177.5 | 160.3 | 0 | 0 | 111 | I147 G148 S154 L155 | I147-E151 HydrophobicContact CG2-CG 4.2Å; I147-E151 WeakPolarHBondContact O-CG 3.27Å; I147-E151 PolarHBondContact O-N 3.4Å; G148-E151 PolarHBondContact O-N 2.89Å; E151-S154 WeakPolarHBondContact O-CB 3.37Å; E151-S154 PolarHBondContact O-N 3.44Å; E151-L155 WeakPolarHBondContact O-CB 3.5Å; E151-L155 PolarHBondContact O-N 3.39Å |
| 152 | D | 98.6 | Very high | 98.4 | Very high | 111 Ų | 111 | 88.4 Ų | 88.4 | 59% | 0.594 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.2 | -45.7 | 177.2 | -78.1 | -19.7 | 0 | 0 | 0 | 112 | G148 E149 S154 L155 N156 | G148-D152 WeakPolarHBondContact O-CB 3.3Å; G148-D152 PolarHBondContact O-N 2.95Å; E149-D152 PolarHBondContact O-N 3.25Å; D152-S154 VanDerWaalsContact C-N 3.28Å; D152-S154 PolarHBondContact O-N 3.29Å; D152-L155 PolarHBondContact O-N 2.89Å; D152-N156 WeakPolarHBondContact O-CB 3.38Å; D152-N156 PolarHBondContact O-N 3.38Å |
| 153 | E | 98.4 | Very high | 98.3 | Very high | 88 Ų | 88 | 88 Ų | 88 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 174.9 | -77.7 | -179.3 | -164.6 | 0 | 0 | 111.7 | E149 N156 R157 | E149-E153 WeakPolarHBondContact O-CB 3.35Å; E149-E153 VanDerWaalsContact O-CG 3.29Å; E149-E153 WeakPolarHBondContact O-CG 3.34Å; E149-E153 PolarHBondContact O-N 3.1Å; E153-N156 PolarHBondContact O-N 3.32Å; E153-R157 WeakPolarHBondContact O-CG 3.48Å; E153-R157 PolarHBondContact O-N 2.92Å; E153-R157 IonicContact OE2-NH1 4Å; E153-R157 PolarHBondContact OE2-NH1 3.04Å |
| 154 | S | 98.2 | Very high | 98.3 | Very high | 56 Ų | 56 | 92 Ų | 92 | 39% | 0.392 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 177.7 | -166.3 | 0 | 0 | 0 | 0 | 111.6 | L150 E151 D152 N156 R157 V158 | L150-S154 VanDerWaalsContact O-CB 3.3Å; L150-S154 WeakPolarHBondContact O-CB 3.42Å; L150-S154 PolarHBondContact O-N 3.34Å; E151-S154 WeakPolarHBondContact O-CB 3.37Å; E151-S154 PolarHBondContact O-N 3.44Å; D152-S154 VanDerWaalsContact C-N 3.28Å; D152-S154 PolarHBondContact O-N 3.29Å; S154-N156 VanDerWaalsContact C-N 3.33Å; S154-N156 PolarHBondContact O-N 3.46Å; S154-R157 VanDerWaalsContact CA-NH2 3.33Å; S154-R157 PolarHBondContact O-N 3.48Å; S154-V158 WeakPolarHBondContact O-CG2 3.27Å; S154-V158 PolarHBondContact O-N 3.49Å |
| 155 | L | 98.5 | Very high | 98.2 | Very high | 119 Ų | 119 | 90.6 Ų | 90.6 | 62% | 0.623 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | 177.1 | -177.1 | 62.7 | 0 | 0 | 0 | 111.5 | E151 D152 R157 V158 C159 | E151-L155 WeakPolarHBondContact O-CB 3.5Å; E151-L155 PolarHBondContact O-N 3.39Å; D152-L155 PolarHBondContact O-N 2.89Å; L155-R157 PolarHBondContact O-N 3.31Å; L155-V158 PolarHBondContact O-N 3.02Å; L155-C159 WeakPolarHBondContact O-CB 3.41Å; L155-C159 PolarHBondContact O-N 2.99Å |
| 156 | N | 98.4 | Very high | 98.1 | Very high | 90 Ų | 90 | 92.1 Ų | 92.1 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 176.9 | -172.9 | 27.2 | 0 | 0 | 0 | 111.6 | D152 E153 S154 V158 C159 Q160 | D152-N156 WeakPolarHBondContact O-CB 3.38Å; D152-N156 PolarHBondContact O-N 3.38Å; E153-N156 PolarHBondContact O-N 3.32Å; S154-N156 VanDerWaalsContact C-N 3.33Å; S154-N156 PolarHBondContact O-N 3.46Å; N156-V158 PolarHBondContact O-N 3.24Å; N156-C159 PolarHBondContact O-N 3.38Å; N156-Q160 PolarHBondContact ND2-NE2 2.89Å; N156-Q160 WeakPolarHBondContact O-CB 3.36Å; N156-Q160 VanDerWaalsContact O-CG 3.27Å; N156-Q160 WeakPolarHBondContact O-CG 3.44Å; N156-Q160 PolarHBondContact O-N 3.32Å; N156-Q160 PolarHBondContact OD1-NE2 2.88Å; N156-Q160 VanDerWaalsContact OD1-NE2 3.15Å |
| 157 | R | 98.3 | Very high | 98 | Very high | 122 Ų | 122 | 91.2 Ų | 91.2 | 46% | 0.46 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 175.1 | -75.1 | -175.3 | -65.7 | -97.1 | 1.1 | 111.9 | E153 S154 L155 Q160 Q161 | E153-R157 WeakPolarHBondContact O-CG 3.48Å; E153-R157 PolarHBondContact O-N 2.92Å; E153-R157 IonicContact OE2-NH1 4Å; E153-R157 PolarHBondContact OE2-NH1 3.04Å; S154-R157 VanDerWaalsContact CA-NH2 3.33Å; S154-R157 PolarHBondContact O-N 3.48Å; L155-R157 PolarHBondContact O-N 3.31Å; R157-Q160 PolarHBondContact O-N 3.49Å; R157-Q161 WeakPolarHBondContact O-CG 3.49Å; R157-Q161 PolarHBondContact O-N 3.2Å |
| 158 | V | 98.3 | Very high | 97.9 | Very high | 78 Ų | 78 | 92.5 Ų | 92.5 | 47% | 0.473 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 177.9 | 173.3 | 0 | 0 | 0 | 0 | 111 | S154 L155 N156 Q160 Q161 Q162 | S154-V158 WeakPolarHBondContact O-CG2 3.27Å; S154-V158 PolarHBondContact O-N 3.49Å; L155-V158 PolarHBondContact O-N 3.02Å; N156-V158 PolarHBondContact O-N 3.24Å; V158-Q160 PolarHBondContact O-N 3.43Å; V158-Q161 PolarHBondContact O-N 2.92Å; V158-Q162 WeakPolarHBondContact O-CB 3.37Å; V158-Q162 PolarHBondContact O-N 2.98Å |
| 159 | C | 97.6 | Very high | 97.8 | Very high | 62 Ų | 62 | 96.5 Ų | 96.5 | 42% | 0.419 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 176.7 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | L155 N156 Q161 Q162 N163 | L155-C159 WeakPolarHBondContact O-CB 3.41Å; L155-C159 PolarHBondContact O-N 2.99Å; N156-C159 PolarHBondContact O-N 3.38Å; C159-Q161 PolarHBondContact O-N 3.25Å; C159-Q162 PolarHBondContact O-N 3.16Å; C159-N163 VanDerWaalsContact O-CG 3.27Å; C159-N163 PolarHBondContact O-N 3.39Å; C159-N163 PolarHBondContact O-ND2 2.97Å |
| 160 | Q | 98 | Very high | 97.6 | Very high | 79 Ų | 79 | 98.2 Ų | 98.2 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 175.7 | -71.6 | 174.1 | 22.4 | 0 | 0 | 112.2 | N156 R157 V158 N163 R164 | N156-Q160 PolarHBondContact ND2-NE2 2.89Å; N156-Q160 WeakPolarHBondContact O-CB 3.36Å; N156-Q160 VanDerWaalsContact O-CG 3.27Å; N156-Q160 WeakPolarHBondContact O-CG 3.44Å; N156-Q160 PolarHBondContact O-N 3.32Å; N156-Q160 PolarHBondContact OD1-NE2 2.88Å; N156-Q160 VanDerWaalsContact OD1-NE2 3.15Å; R157-Q160 PolarHBondContact O-N 3.49Å; V158-Q160 PolarHBondContact O-N 3.43Å; Q160-N163 PolarHBondContact O-N 3.39Å; Q160-R164 WeakPolarHBondContact O-CG 3.41Å; Q160-R164 PolarHBondContact O-N 3.48Å |
| 161 | Q | 97.5 | Very high | 97.4 | Very high | 116 Ų | 116 | 99.2 Ų | 99.2 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 175.7 | -74.3 | -179.3 | -21.7 | 0 | 0 | 111.8 | R157 V158 C159 N163 R164 I165 | R157-Q161 WeakPolarHBondContact O-CG 3.49Å; R157-Q161 PolarHBondContact O-N 3.2Å; V158-Q161 PolarHBondContact O-N 2.92Å; C159-Q161 PolarHBondContact O-N 3.25Å; Q161-N163 VanDerWaalsContact C-N 3.3Å; Q161-N163 PolarHBondContact O-N 3.36Å; Q161-R164 PolarHBondContact O-N 2.99Å; Q161-I165 WeakPolarHBondContact O-CG1 3.4Å; Q161-I165 PolarHBondContact O-N 3.05Å |
| 162 | Q | 97.8 | Very high | 97.2 | Very high | 97 Ų | 97 | 100.4 Ų | 100.4 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 176.7 | -174.9 | 69.8 | 38.3 | 0 | 0 | 111.7 | V158 C159 I165 K166 | V158-Q162 WeakPolarHBondContact O-CB 3.37Å; V158-Q162 PolarHBondContact O-N 2.98Å; C159-Q162 PolarHBondContact O-N 3.16Å; Q162-I165 PolarHBondContact O-N 3.26Å; Q162-K166 WeakPolarHBondContact O-CG 3.29Å; Q162-K166 PolarHBondContact O-N 3.47Å |
| 163 | N | 97.3 | Very high | 97 | Very high | 73 Ų | 73 | 101.7 Ų | 101.7 | 39% | 0.39 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 177.5 | -70.6 | -23.4 | 0 | 0 | 0 | 111.4 | C159 Q160 Q161 I165 K166 D167 | C159-N163 VanDerWaalsContact O-CG 3.27Å; C159-N163 PolarHBondContact O-N 3.39Å; C159-N163 PolarHBondContact O-ND2 2.97Å; Q160-N163 PolarHBondContact O-N 3.39Å; Q161-N163 VanDerWaalsContact C-N 3.3Å; Q161-N163 PolarHBondContact O-N 3.36Å; N163-I165 VanDerWaalsContact C-N 3.34Å; N163-I165 PolarHBondContact O-N 2.95Å; N163-K166 WeakPolarHBondContact O-CB 3.39Å; N163-K166 PolarHBondContact O-N 3.31Å; N163-K166 VanDerWaalsContact O-N 3.16Å; N163-D167 PolarHBondContact O-N 2.88Å |
| 164 | R | 97.4 | Very high | 96.7 | Very high | 160 Ų | 160 | 103 Ų | 103 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58 | -44.3 | 174.7 | -68.9 | 173.5 | -167.5 | 170.5 | 5.9 | 112.1 | Q160 Q161 K166 D167 L168 | Q160-R164 WeakPolarHBondContact O-CG 3.41Å; Q160-R164 PolarHBondContact O-N 3.48Å; Q161-R164 PolarHBondContact O-N 2.99Å; R164-K166 PolarHBondContact O-N 3.05Å; R164-D167 PolarHBondContact O-N 3.45Å; R164-L168 WeakPolarHBondContact O-CG 3.41Å; R164-L168 PolarHBondContact O-N 3.44Å |
| 165 | I | 97.3 | Very high | 96.4 | Very high | 84 Ų | 84 | 104.9 Ų | 104.9 | 43% | 0.431 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.8 | -69.1 | 168.4 | 0 | 0 | 0 | 110.8 | Q161 Q162 N163 D167 L168 Q169 | Q161-I165 WeakPolarHBondContact O-CG1 3.4Å; Q161-I165 PolarHBondContact O-N 3.05Å; Q162-I165 PolarHBondContact O-N 3.26Å; N163-I165 VanDerWaalsContact C-N 3.34Å; N163-I165 PolarHBondContact O-N 2.95Å; I165-D167 VanDerWaalsContact C-N 3.31Å; I165-D167 PolarHBondContact O-N 3Å; I165-L168 PolarHBondContact O-N 3.03Å; I165-Q169 HydrophobicContact CG2-CG 4.43Å; I165-Q169 WeakPolarHBondContact O-CB 3.42Å; I165-Q169 VanDerWaalsContact O-CG 3.29Å; I165-Q169 WeakPolarHBondContact O-CG 3.46Å; I165-Q169 PolarHBondContact O-N 3.31Å |
| 166 | K | 97.4 | Very high | 95.8 | Very high | 101 Ų | 101 | 105.1 Ų | 105.1 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 177.4 | -78 | 176.4 | 178.7 | 175.8 | 0 | 112 | Q162 N163 R164 Q169 K170 | Q162-K166 WeakPolarHBondContact O-CG 3.29Å; Q162-K166 PolarHBondContact O-N 3.47Å; N163-K166 WeakPolarHBondContact O-CB 3.39Å; N163-K166 PolarHBondContact O-N 3.31Å; N163-K166 VanDerWaalsContact O-N 3.16Å; R164-K166 PolarHBondContact O-N 3.05Å; K166-Q169 PolarHBondContact O-N 3.15Å; K166-K170 WeakPolarHBondContact O-CG 3.43Å; K166-K170 PolarHBondContact O-N 2.97Å; K166-K170 VanDerWaalsContact O-N 3.15Å |
| 167 | D | 96.8 | Very high | 95.1 | Very high | 76 Ų | 76 | 106.9 Ų | 106.9 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.2 | -44.2 | -179.6 | -67.2 | -27 | 0 | 0 | 0 | 111.6 | N163 R164 I165 Q169 K170 E171 | N163-D167 PolarHBondContact O-N 2.88Å; R164-D167 PolarHBondContact O-N 3.45Å; I165-D167 VanDerWaalsContact C-N 3.31Å; I165-D167 PolarHBondContact O-N 3Å; D167-Q169 VanDerWaalsContact C-N 3.29Å; D167-Q169 PolarHBondContact O-N 3.36Å; D167-K170 WeakPolarHBondContact O-CB 3.48Å; D167-K170 PolarHBondContact O-N 3.42Å; D167-K170 IonicContact OD1-NZ 3.51Å; D167-K170 PolarHBondContact OD1-NZ 3.41Å; D167-E171 PolarHBondContact O-N 3.17Å |
| 168 | L | 96.8 | Very high | 94 | Very high | 109 Ų | 109 | 107.7 Ų | 107.7 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.3 | -39.2 | 172.4 | -71.5 | 171.8 | 0 | 0 | 0 | 112.6 | R164 I165 K170 E171 Y172 | R164-L168 WeakPolarHBondContact O-CG 3.41Å; R164-L168 PolarHBondContact O-N 3.44Å; I165-L168 PolarHBondContact O-N 3.03Å; L168-K170 VanDerWaalsContact C-N 3.33Å; L168-K170 PolarHBondContact O-N 3.31Å; L168-E171 PolarHBondContact O-N 3.44Å; L168-Y172 WeakPolarHBondContact O-CB 3.45Å; L168-Y172 PolarHBondContact O-N 3.46Å |
| 169 | Q | 95.3 | Very high | 91.8 | Very high | 110 Ų | 110 | 115.7 Ų | 115.7 | 51% | 0.514 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 175.5 | -76.5 | 176.6 | -14.4 | 0 | 0 | 112.8 | I165 K166 D167 K173 | I165-Q169 HydrophobicContact CG2-CG 4.43Å; I165-Q169 WeakPolarHBondContact O-CB 3.42Å; I165-Q169 VanDerWaalsContact O-CG 3.29Å; I165-Q169 WeakPolarHBondContact O-CG 3.46Å; I165-Q169 PolarHBondContact O-N 3.31Å; K166-Q169 PolarHBondContact O-N 3.15Å; D167-Q169 VanDerWaalsContact C-N 3.29Å; D167-Q169 PolarHBondContact O-N 3.36Å; Q169-K173 WeakPolarHBondContact O-CG 3.36Å; Q169-K173 PolarHBondContact O-N 2.96Å; Q169-K173 VanDerWaalsContact O-N 3.16Å |
| 170 | K | 95.1 | Very high | 91.6 | Very high | 121 Ų | 121 | 118.4 Ų | 118.4 | 53% | 0.526 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.9 | -46 | 174.3 | -68.2 | 168.3 | -168.3 | 158.3 | 0 | 110.7 | K166 D167 L168 Y172 K173 M174 | K166-K170 WeakPolarHBondContact O-CG 3.43Å; K166-K170 PolarHBondContact O-N 2.97Å; K166-K170 VanDerWaalsContact O-N 3.15Å; D167-K170 WeakPolarHBondContact O-CB 3.48Å; D167-K170 PolarHBondContact O-N 3.42Å; D167-K170 IonicContact OD1-NZ 3.51Å; D167-K170 PolarHBondContact OD1-NZ 3.41Å; L168-K170 VanDerWaalsContact C-N 3.33Å; L168-K170 PolarHBondContact O-N 3.31Å; K170-Y172 VanDerWaalsContact C-N 3.34Å; K170-Y172 PolarHBondContact O-N 3.5Å; K170-K173 PolarHBondContact O-N 2.98Å; K170-M174 WeakPolarHBondContact O-CG 3.47Å; K170-M174 PolarHBondContact O-N 3.21Å |
| 171 | E | 94.7 | Very high | 91.2 | Very high | 106 Ų | 106 | 120.5 Ų | 120.5 | 50% | 0.495 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.3 | -46.9 | 176.8 | -71.1 | 177.1 | -176.6 | 0 | 0 | 111.6 | D167 L168 K173 M174 L175 | D167-E171 PolarHBondContact O-N 3.17Å; L168-E171 PolarHBondContact O-N 3.44Å; E171-K173 PolarHBondContact O-N 3.17Å; E171-M174 HydrophobicContact CG-CE 4.19Å; E171-M174 PolarHBondContact O-N 3.46Å; E171-L175 WeakPolarHBondContact O-CG 3.49Å; E171-L175 PolarHBondContact O-N 3.16Å |
| 172 | Y | 93.8 | Very high | 90.9 | Very high | 150 Ų | 150 | 120.7 Ų | 120.7 | 59% | 0.588 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -57.8 | -45.9 | 175.8 | -179.9 | -93.8 | 0 | 0 | 0 | 112.4 | L168 K170 M174 L175 Q176 | L168-Y172 WeakPolarHBondContact O-CB 3.45Å; L168-Y172 PolarHBondContact O-N 3.46Å; K170-Y172 VanDerWaalsContact C-N 3.34Å; K170-Y172 PolarHBondContact O-N 3.5Å; Y172-M174 VanDerWaalsContact C-N 3.35Å; Y172-M174 PolarHBondContact O-N 3.32Å; Y172-L175 PolarHBondContact O-N 2.93Å; Y172-Q176 WeakPolarHBondContact O-CB 3.43Å; Y172-Q176 PolarHBondContact O-N 3.2Å |
| 173 | K | 93.7 | Very high | 90.5 | Very high | 139 Ų | 139 | 122.1 Ų | 122.1 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.7 | -39.9 | 177.1 | -75.4 | 177.2 | -178.1 | -178.6 | 0 | 112.4 | Q169 K170 E171 Q176 V177 | Q169-K173 WeakPolarHBondContact O-CG 3.36Å; Q169-K173 PolarHBondContact O-N 2.96Å; Q169-K173 VanDerWaalsContact O-N 3.16Å; K170-K173 PolarHBondContact O-N 2.98Å; E171-K173 PolarHBondContact O-N 3.17Å; K173-Q176 PolarHBondContact O-N 3.23Å; K173-V177 WeakPolarHBondContact O-CG2 3.38Å; K173-V177 PolarHBondContact O-N 3.37Å |
| 174 | M | 92.2 | Very high | 90 | Very high | 115 Ų | 115 | 125.2 Ų | 125.2 | 57% | 0.567 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.7 | -44.4 | 176.5 | -70.7 | -172.4 | -63.6 | 0 | 0 | 111.4 | K170 E171 Y172 Q176 V177 L178 | K170-M174 WeakPolarHBondContact O-CG 3.47Å; K170-M174 PolarHBondContact O-N 3.21Å; E171-M174 HydrophobicContact CG-CE 4.19Å; E171-M174 PolarHBondContact O-N 3.46Å; Y172-M174 VanDerWaalsContact C-N 3.35Å; Y172-M174 PolarHBondContact O-N 3.32Å; M174-Q176 VanDerWaalsContact C-N 3.32Å; M174-Q176 PolarHBondContact O-N 2.97Å; M174-V177 PolarHBondContact O-N 2.96Å; M174-L178 WeakPolarHBondContact O-CG 3.46Å; M174-L178 PolarHBondContact O-N 3.41Å; M174-L178 VanDerWaalsContact O-N 3.17Å |
| 175 | L | 91.9 | Very high | 89.5 | Confident | 96 Ų | 96 | 122.9 Ų | 122.9 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.5 | -39.9 | 176 | -72 | 170.6 | 0 | 0 | 0 | 111.9 | E171 Y172 V177 L178 Y179 | E171-L175 WeakPolarHBondContact O-CG 3.49Å; E171-L175 PolarHBondContact O-N 3.16Å; Y172-L175 PolarHBondContact O-N 2.93Å; L175-V177 PolarHBondContact O-N 3.17Å; L175-L178 PolarHBondContact O-N 3.29Å; L175-L178 VanDerWaalsContact O-N 3.17Å; L175-Y179 HydrophobicContact CD2-CE2 4.35Å; L175-Y179 WeakPolarHBondContact O-CD2 3.47Å; L175-Y179 PolarHBondContact O-N 3.22Å |
| 176 | Q | 85.7 | Confident | 89 | Confident | 123 Ų | 123 | 125.6 Ų | 125.6 | 58% | 0.575 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.3 | -19.9 | 177.5 | -163.6 | 176.8 | 17.2 | 0 | 0 | 113.9 | Y172 K173 M174 | Y172-Q176 WeakPolarHBondContact O-CB 3.43Å; Y172-Q176 PolarHBondContact O-N 3.2Å; K173-Q176 PolarHBondContact O-N 3.23Å; M174-Q176 VanDerWaalsContact C-N 3.32Å; M174-Q176 PolarHBondContact O-N 2.97Å |
| 177 | V | 83.9 | Confident | 88.3 | Confident | 128 Ų | 128 | 127.5 Ų | 127.5 | 78% | 0.776 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -89.2 | -23.4 | 174.9 | 173.7 | 0 | 0 | 0 | 0 | 111.5 | K173 M174 L175 | K173-V177 WeakPolarHBondContact O-CG2 3.38Å; K173-V177 PolarHBondContact O-N 3.37Å; M174-V177 PolarHBondContact O-N 2.96Å; L175-V177 PolarHBondContact O-N 3.17Å |
| 178 | L | 74.6 | Confident | 87.6 | Confident | 138 Ų | 138 | 131.8 Ų | 131.8 | 72% | 0.723 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -90 | -12.5 | -178.2 | -74.8 | 167 | 0 | 0 | 0 | 114.1 | M174 L175 | M174-L178 WeakPolarHBondContact O-CG 3.46Å; M174-L178 PolarHBondContact O-N 3.41Å; M174-L178 VanDerWaalsContact O-N 3.17Å; L175-L178 PolarHBondContact O-N 3.29Å; L175-L178 VanDerWaalsContact O-N 3.17Å |
| 179 | Y | 54 | Low | 86.8 | Confident | 247 Ų | 247 | 133.9 Ų | 133.9 | 97% | 0.969 | 62% | 0.622 | S | S | * | * | trans | -124.1 | 0 | 177.2 | -75 | -82.3 | 0 | 0 | 0 | 110.6 | L175 | L175-Y179 HydrophobicContact CD2-CE2 4.35Å; L175-Y179 WeakPolarHBondContact O-CD2 3.47Å; L175-Y179 PolarHBondContact O-N 3.22Å |
Retrieved 179 of 179 residues in 311.3 ms
(Link to these results)