| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.1 | Very low | 53.2 | Low | 240 Ų | 240 | 151.6 Ų | 151.6 | 100% | 1.182 | 84% | 0.84 | S | S | * | * | 0 | 88 | 0 | -78.9 | -76 | -175.8 | 0 | 0 | 105.6 | |||||
| 2 | D | 49.8 | Very low | 53.2 | Low | 164 Ų | 164 | 147.3 Ų | 147.3 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 128.6 | 172.2 | -89.1 | -63.5 | 0 | 0 | 0 | 108.3 | ||
| 3 | P | 57 | Low | 53 | Low | 114 Ų | 114 | 145.7 Ų | 145.7 | 74% | 0.74 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 126.9 | 169.2 | 31.2 | -27.6 | 0 | 0 | 0 | 110.5 | S5 | P3-S5 PolarHBondContact O-N 3.2Š|
| 4 | A | 49.9 | Very low | 52.5 | Low | 95 Ų | 95 | 147.2 Ų | 147.2 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 126.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 5 | S | 57.3 | Low | 52.6 | Low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 84% | 0.838 | S | S | * | * | trans | -92.6 | 114.2 | 161.3 | -58.8 | 0 | 0 | 0 | 0 | 108.2 | P3 | P3-S5 PolarHBondContact O-N 3.2Š| ||
| 6 | Q | 59.2 | Low | 51.8 | Low | 167 Ų | 167 | 146.4 Ų | 146.4 | 78% | 0.78 | 83% | 0.831 | S | S | * | * | trans | -129.7 | 85.4 | 166.6 | -79 | -171.7 | -21.2 | 0 | 0 | 108.3 | I8 | Q6-I8 PolarHBondContact O-N 3.49Š| ||
| 7 | D | 55 | Low | 51.2 | Low | 162 Ų | 162 | 147.4 Ų | 147.4 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | -80.1 | 103.8 | 164.5 | -71.3 | -58.3 | 0 | 0 | 0 | 108.6 | ||||
| 8 | I | 60.2 | Low | 50.5 | Low | 153 Ų | 153 | 145.1 Ų | 145.1 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -108.7 | 102.1 | 172.8 | 33.7 | 172.5 | 0 | 0 | 0 | 110.5 | Q6 | Q6-I8 PolarHBondContact O-N 3.49Š| ||
| 9 | N | 48.6 | Very low | 50.5 | Low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 83% | 0.833 | S | S | * | * | trans | 62.3 | 94.3 | 132.8 | -158.9 | -14 | 0 | 0 | 0 | 118.2 | ||||
| 10 | L | 56.6 | Low | 50.2 | Low | 170 Ų | 170 | 146.2 Ų | 146.2 | 89% | 0.89 | 83% | 0.825 | S | S | * | * | trans | -98 | 106.7 | 161.3 | -66.5 | 173.4 | 0 | 0 | 0 | 109.9 | ||||
| 11 | N | 48.9 | Very low | 50.1 | Low | 148 Ų | 148 | 144.9 Ų | 144.9 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | 56.7 | 98.3 | 139.5 | -162.9 | 52.6 | 0 | 0 | 0 | 117.7 | ||||
| 12 | S | 52.4 | Low | 50.5 | Low | 99 Ų | 99 | 138.6 Ų | 138.6 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -56.8 | 146.4 | 168.4 | -71.1 | 0 | 0 | 0 | 0 | 113.4 | N14 | S12-N14 PolarHBondContact O-N 3.07Š| ||
| 13 | P | 51.8 | Low | 50.4 | Low | 127 Ų | 127 | 137.2 Ų | 137.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -83.1 | 116.1 | 177.8 | 32.6 | -29.2 | 0 | 0 | 0 | 109.9 | ||||
| 14 | N | 44.8 | Very low | 49.9 | Very low | 167 Ų | 167 | 140 Ų | 140 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | trans | -113.7 | 93 | 161.3 | -163.3 | 27.8 | 0 | 0 | 0 | 109.4 | S12 | S12-N14 PolarHBondContact O-N 3.07Š| ||
| 15 | K | 55.1 | Low | 49.9 | Very low | 212 Ų | 212 | 143.6 Ų | 143.6 | 92% | 0.922 | 81% | 0.806 | S | S | * | * | trans | -153.9 | 107.3 | 165.3 | -149.2 | 177.1 | -170.8 | -179.2 | 0 | 109.7 | ||||
| 16 | G | 39.6 | Very low | 49.5 | Very low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 169.6 | 48.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S18 | G16-S18 PolarHBondContact O-N 3.34Å; G16-S18 VanDerWaalsContact O-N 3.13Å | ||
| 17 | N | 41.7 | Very low | 48.7 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 87% | 0.866 | 81% | 0.811 | S | S | * | * | trans | -73 | 102.5 | 165.8 | -154.1 | 85.7 | 0 | 0 | 0 | 106.8 | M19 | N17-M19 PolarHBondContact O-N 3Š| ||
| 18 | S | 39 | Very low | 48.5 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -53.3 | 120 | 175.7 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | G16 D20 | G16-S18 PolarHBondContact O-N 3.34Å; G16-S18 VanDerWaalsContact O-N 3.13Å; S18-D20 PolarHBondContact O-N 3.25Å | ||
| 19 | M | 48.8 | Very low | 47.5 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | -77.8 | 111.4 | 167.3 | -141.4 | 86.6 | 168.7 | 0 | 0 | 107.2 | N17 | N17-M19 PolarHBondContact O-N 3Š| ||
| 20 | D | 44.6 | Very low | 47.3 | Very low | 127 Ų | 127 | 141 Ų | 141 | 68% | 0.679 | 81% | 0.811 | S | S | * | * | trans | -147.9 | 123.2 | 155.2 | -168.5 | 15.9 | 0 | 0 | 0 | 107.3 | S18 S22 | S18-D20 PolarHBondContact O-N 3.25Å; D20-S22 PolarHBondContact OD1-N 3.47Å | ||
| 21 | P | 49.7 | Very low | 46.5 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | -141.2 | 101.1 | 119.4 | 32.3 | -15.1 | 0 | 0 | 0 | 111.3 | |||||
| 22 | S | 49.9 | Very low | 45.8 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | trans | -86.3 | 85.8 | 150.6 | -60.8 | 0 | 0 | 0 | 0 | 108.6 | D20 | D20-S22 PolarHBondContact OD1-N 3.47Š| ||
| 23 | D | 49.4 | Very low | 45.5 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | trans | -162 | 100.2 | 152.6 | -125.2 | -10.5 | 0 | 0 | 0 | 109.9 | ||||
| 24 | N | 44.6 | Very low | 45 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 91% | 0.914 | 82% | 0.818 | S | S | * | * | trans | -156.2 | 84.1 | 150.9 | -130 | 17.2 | 0 | 0 | 0 | 108.6 | ||||
| 25 | M | 50.8 | Low | 45 | Very low | 171 Ų | 171 | 135 Ų | 135 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -61.9 | 138.7 | 166 | -72 | -101.1 | -177.1 | 0 | 0 | 109.5 | ||||
| 26 | A | 48.5 | Very low | 44.6 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -61.6 | 143.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 27 | D | 42.8 | Very low | 45.2 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | trans | -148.3 | 127.5 | 142.1 | -158.5 | 32.3 | 0 | 0 | 0 | 109.7 | ||||
| 28 | D | 50 | Low | 45.7 | Very low | 143 Ų | 143 | 130.8 Ų | 130.8 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | trans | -64.5 | 142.2 | -179.7 | -80.4 | -61.1 | 0 | 0 | 0 | 111.9 | ||||
| 29 | Q | 38.9 | Very low | 46.5 | Very low | 192 Ų | 192 | 134 Ų | 134 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | trans | -154.6 | 103 | 132.7 | -73.7 | -152.8 | -5.3 | 0 | 0 | 112.5 | ||||
| 30 | A | 45.7 | Very low | 47 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | 44.9 | 127 | 129.7 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 31 | E | 39.2 | Very low | 47.6 | Very low | 203 Ų | 203 | 127.8 Ų | 127.8 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | trans | 79.6 | 130.1 | 142.3 | -96.5 | -158.7 | 137.2 | 0 | 0 | 121 | ||||
| 32 | G | 34.8 | Very low | 48.4 | Very low | 74 Ų | 74 | 125.8 Ų | 125.8 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | trans | 123.8 | 81.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 33 | A | 45.9 | Very low | 49 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | -2.7 | 121.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 34 | A | 40.8 | Very low | 49.6 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | 155.7 | 88.6 | 127.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | N36 | A34-N36 PolarHBondContact O-N 3.03Š| |||
| 35 | A | 45 | Very low | 50.3 | Low | 108 Ų | 108 | 119.7 Ų | 119.7 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | -72.3 | 82.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 36 | N | 46.6 | Very low | 51.6 | Low | 146 Ų | 146 | 115.4 Ų | 115.4 | 78% | 0.781 | 75% | 0.746 | S | S | * | * | trans | -102.2 | 103.1 | 152.6 | -88.2 | -9.1 | 0 | 0 | 0 | 106.4 | A34 A38 | A34-N36 PolarHBondContact O-N 3.03Å; N36-A38 PolarHBondContact O-N 3.23Å | ||
| 37 | S | 52.7 | Low | 52.8 | Low | 131 Ų | 131 | 115.5 Ų | 115.5 | 92% | 0.916 | 73% | 0.729 | S | S | * | * | trans | -69.1 | 72.5 | 167.3 | 51 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 38 | A | 52.7 | Low | 54.5 | Low | 80 Ų | 80 | 115.6 Ų | 115.6 | 66% | 0.661 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 118.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107 | N36 | N36-A38 PolarHBondContact O-N 3.23Š|
| 39 | H | 55.3 | Low | 56 | Low | 174 Ų | 174 | 113.2 Ų | 113.2 | 81% | 0.806 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 126.7 | 162.4 | -108.8 | 33.1 | 0 | 0 | 0 | 108.5 | L41 | H39-L41 PolarHBondContact O-N 3.23Š|
| 40 | P | 59.4 | Low | 57.9 | Low | 118 Ų | 118 | 104.5 Ų | 104.5 | 77% | 0.766 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 130.1 | 177.4 | -11.2 | 24.9 | 0 | 0 | 0 | 108.2 | ||
| 41 | L | 57.6 | Low | 59.7 | Low | 63 Ų | 63 | 105.5 Ų | 105.5 | 33% | 0.33 | 66% | 0.658 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 140.1 | 173.3 | -71 | 137 | 0 | 0 | 0 | 109.5 | H39 E47 A50 | H39-L41 PolarHBondContact O-N 3.23Å; L41-E47 WeakPolarHBondContact CD1-OE2 3.47Å; L41-A50 HydrophobicContact CD2-CB 3.34Å |
| 42 | P | 66.6 | Low | 62 | Low | 77 Ų | 77 | 102.3 Ų | 102.3 | 50% | 0.5 | 64% | 0.644 | S | S | . | * | P | Polyproline II helix | trans | -58.4 | 139.6 | 174.7 | 23.3 | -31 | 0 | 0 | 0 | 110 | G44 L45 | P42-G44 PolarHBondContact O-N 2.73Å; P42-L45 HydrophobicContact CG-CB 4.41Å; P42-L45 HydrophobicContact CG-CD1 4.46Å; P42-L45 PolarHBondContact O-N 2.97Å |
| 43 | P | 62.5 | Low | 64.7 | Low | 143 Ų | 143 | 103.2 Ų | 103.2 | 93% | 0.929 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | 116.1 | -176.7 | -18 | 28.8 | 0 | 0 | 0 | 110.7 | ||
| 44 | G | 62 | Low | 66.8 | Low | 79 Ų | 79 | 104.3 Ų | 104.3 | 81% | 0.814 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 114 | -4.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | P42 | P42-G44 PolarHBondContact O-N 2.73Š|
| 45 | L | 59.4 | Low | 69.4 | Low | 65 Ų | 65 | 106 Ų | 106 | 34% | 0.34 | 61% | 0.608 | S | S | . | * | trans | -93.7 | 132.5 | 170 | -111 | 85.3 | 0 | 0 | 0 | 110.9 | P42 E49 A50 L53 | P42-L45 HydrophobicContact CG-CB 4.41Å; P42-L45 HydrophobicContact CG-CD1 4.46Å; P42-L45 PolarHBondContact O-N 2.97Å; L45-E49 HydrophobicContact CD2-CB 4.25Å; L45-E49 HydrophobicContact CG-CB 4.31Å; L45-A50 HydrophobicContact CD2-CB 4.06Å; L45-L53 HydrophobicContact CD2-CD1 3.68Å | ||
| 46 | T | 77.3 | Confident | 71.8 | Confident | 80 Ų | 80 | 106.3 Ų | 106.3 | 49% | 0.491 | 59% | 0.591 | S | S | . | * | trans | -73 | 153.3 | 167.1 | 62.7 | 0 | 0 | 0 | 0 | 110.1 | E48 E49 A50 | T46-E48 PolarHBondContact O-N 2.9Å; T46-E49 PolarHBondContact N-OE2 3.31Å; T46-E49 PolarHBondContact O-N 2.92Å; T46-E49 VanDerWaalsContact OG1-CG 3.27Å; T46-E49 WeakPolarHBondContact OG1-CG 3.5Å; T46-E49 PolarHBondContact OG1-OE2 3.16Å; T46-A50 PolarHBondContact O-N 2.77Å; T46-A50 VanDerWaalsContact O-N 3.15Å | ||
| 47 | E | 73.9 | Confident | 74.1 | Confident | 102 Ų | 102 | 104.1 Ų | 104.1 | 48% | 0.477 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -56.3 | -37.4 | -179.2 | -170.4 | 69.5 | -128.4 | 0 | 0 | 111.8 | L41 A50 E51 | L41-E47 WeakPolarHBondContact CD1-OE2 3.47Å; E47-A50 WeakPolarHBondContact O-CB 3.27Å; E47-A50 PolarHBondContact O-N 3.34Å; E47-E51 PolarHBondContact O-N 3.15Å |
| 48 | E | 77.8 | Confident | 76.2 | Confident | 160 Ų | 160 | 101.1 Ų | 101.1 | 75% | 0.748 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.9 | -41.1 | -178.5 | -163.1 | 163.6 | -174.8 | 0 | 0 | 112.2 | T46 A50 E51 E52 | T46-E48 PolarHBondContact O-N 2.9Å; E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 3.46Å; E48-E51 PolarHBondContact O-N 2.95Å; E48-E52 PolarHBondContact O-N 3.43Å |
| 49 | E | 81.7 | Confident | 78.4 | Confident | 93 Ų | 93 | 103.2 Ų | 103.2 | 44% | 0.435 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 173.6 | -68.9 | 166.3 | 139.1 | 0 | 0 | 111.9 | L45 T46 E52 L53 | L45-E49 HydrophobicContact CD2-CB 4.25Å; L45-E49 HydrophobicContact CG-CB 4.31Å; T46-E49 PolarHBondContact N-OE2 3.31Å; T46-E49 PolarHBondContact O-N 2.92Å; T46-E49 VanDerWaalsContact OG1-CG 3.27Å; T46-E49 WeakPolarHBondContact OG1-CG 3.5Å; T46-E49 PolarHBondContact OG1-OE2 3.16Å; E49-E52 PolarHBondContact O-N 3.4Å; E49-L53 WeakPolarHBondContact O-CG 3.3Å; E49-L53 PolarHBondContact O-N 3.42Å |
| 50 | A | 79.3 | Confident | 80.4 | Confident | 8 Ų | 8 | 97.9 Ų | 97.9 | 7% | 0.066 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -69.9 | -34.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L41 L45 T46 E47 E48 R54 | L41-A50 HydrophobicContact CD2-CB 3.34Å; L45-A50 HydrophobicContact CD2-CB 4.06Å; T46-A50 PolarHBondContact O-N 2.77Å; T46-A50 VanDerWaalsContact O-N 3.15Å; E47-A50 WeakPolarHBondContact O-CB 3.27Å; E47-A50 PolarHBondContact O-N 3.34Å; E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 3.46Å; A50-R54 VanDerWaalsContact O-CG 3.32Å; A50-R54 WeakPolarHBondContact O-CG 3.11Å; A50-R54 PolarHBondContact O-N 3.26Å |
| 51 | E | 83.4 | Confident | 82.2 | Confident | 113 Ų | 113 | 97.5 Ų | 97.5 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.9 | -42 | 172.4 | -71.6 | -174.2 | 176.3 | 0 | 0 | 112 | E47 E48 L53 R54 L55 | E47-E51 PolarHBondContact O-N 3.15Å; E48-E51 PolarHBondContact O-N 2.95Å; E51-L53 PolarHBondContact O-N 3.5Å; E51-R54 PolarHBondContact O-N 3.25Å; E51-L55 PolarHBondContact O-N 3.03Å; E51-L55 VanDerWaalsContact O-N 3.07Å |
| 52 | E | 86.8 | Confident | 84.2 | Confident | 136 Ų | 136 | 100.4 Ų | 100.4 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61 | -45 | 176.4 | -171.4 | 175.1 | -166.7 | 0 | 0 | 111.8 | E48 E49 R54 L55 E56 | E48-E52 PolarHBondContact O-N 3.43Å; E49-E52 PolarHBondContact O-N 3.4Å; E52-R54 VanDerWaalsContact C-N 3.29Å; E52-R54 PolarHBondContact O-N 3.23Å; E52-L55 WeakPolarHBondContact O-CB 3.32Å; E52-L55 PolarHBondContact O-N 3Å; E52-L55 VanDerWaalsContact O-N 3.16Å; E52-E56 PolarHBondContact O-N 3.29Å |
| 53 | L | 92.3 | Very high | 85.7 | Confident | 94 Ų | 94 | 101.5 Ų | 101.5 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -33.9 | 176.2 | -73.6 | 174.2 | 0 | 0 | 0 | 112.9 | L45 E49 E51 L57 | L45-L53 HydrophobicContact CD2-CD1 3.68Å; E49-L53 WeakPolarHBondContact O-CG 3.3Å; E49-L53 PolarHBondContact O-N 3.42Å; E51-L53 PolarHBondContact O-N 3.5Å; L53-L57 WeakPolarHBondContact O-CB 3.42Å; L53-L57 PolarHBondContact O-N 2.89Å |
| 54 | R | 89.8 | Confident | 87.4 | Confident | 129 Ų | 129 | 98.1 Ų | 98.1 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.1 | -39 | 175.3 | -75.5 | 177 | -176.2 | 117.7 | -3.7 | 111.6 | A50 E51 E52 T58 | A50-R54 VanDerWaalsContact O-CG 3.32Å; A50-R54 WeakPolarHBondContact O-CG 3.11Å; A50-R54 PolarHBondContact O-N 3.26Å; E51-R54 PolarHBondContact O-N 3.25Å; E52-R54 VanDerWaalsContact C-N 3.29Å; E52-R54 PolarHBondContact O-N 3.23Å; R54-T58 WeakPolarHBondContact O-CB 3.5Å; R54-T58 PolarHBondContact O-N 2.9Å; R54-T58 PolarHBondContact O-OG1 3.34Å |
| 55 | L | 94.6 | Very high | 89.1 | Confident | 127 Ų | 127 | 98.3 Ų | 98.3 | 67% | 0.665 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.1 | -45.9 | 175.3 | -73 | 168.3 | 0 | 0 | 0 | 111.4 | E51 E52 T58 K59 | E51-L55 PolarHBondContact O-N 3.03Å; E51-L55 VanDerWaalsContact O-N 3.07Å; E52-L55 WeakPolarHBondContact O-CB 3.32Å; E52-L55 PolarHBondContact O-N 3Å; E52-L55 VanDerWaalsContact O-N 3.16Å; L55-T58 PolarHBondContact O-N 2.89Å; L55-K59 PolarHBondContact O-N 3.24Å |
| 56 | E | 95.8 | Very high | 91 | Very high | 115 Ų | 115 | 98.9 Ų | 98.9 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.9 | -172.4 | 175.8 | -170.1 | 0 | 0 | 111.3 | E52 T58 K59 V60 | E52-E56 PolarHBondContact O-N 3.29Å; E56-T58 VanDerWaalsContact C-N 3.33Å; E56-T58 PolarHBondContact O-N 3.25Å; E56-K59 PolarHBondContact O-N 2.96Å; E56-V60 HydrophobicContact CG-CG2 4.39Å; E56-V60 WeakPolarHBondContact O-CG2 3.43Å; E56-V60 PolarHBondContact O-N 3.45Å |
| 57 | L | 95.4 | Very high | 92 | Very high | 100 Ų | 100 | 100.7 Ų | 100.7 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.2 | -48 | 175.3 | -179 | 63.8 | 0 | 0 | 0 | 111.2 | L53 K59 V60 E61 | L53-L57 WeakPolarHBondContact O-CB 3.42Å; L53-L57 PolarHBondContact O-N 2.89Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3.27Å; L57-V60 PolarHBondContact O-N 3.05Å; L57-E61 HydrophobicContact CD1-CG 4.45Å; L57-E61 WeakPolarHBondContact O-CB 3.47Å; L57-E61 VanDerWaalsContact O-CG 3.31Å; L57-E61 WeakPolarHBondContact O-CG 3.31Å; L57-E61 PolarHBondContact O-N 2.94Å |
| 58 | T | 96.9 | Very high | 93.2 | Very high | 68 Ų | 68 | 104.1 Ų | 104.1 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 111 | R54 L55 E56 E61 E62 | R54-T58 WeakPolarHBondContact O-CB 3.5Å; R54-T58 PolarHBondContact O-N 2.9Å; R54-T58 PolarHBondContact O-OG1 3.34Å; L55-T58 PolarHBondContact O-N 2.89Å; E56-T58 VanDerWaalsContact C-N 3.33Å; E56-T58 PolarHBondContact O-N 3.25Å; T58-E61 PolarHBondContact O-N 2.89Å; T58-E62 WeakPolarHBondContact O-CG 3.46Å; T58-E62 PolarHBondContact O-N 3.41Å |
| 59 | K | 97.9 | Very high | 94.1 | Very high | 124 Ų | 124 | 102.4 Ų | 102.4 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 177.6 | -177.1 | -174.3 | 174.5 | -168 | 0 | 112.1 | L55 E56 L57 E61 E62 E63 | L55-K59 PolarHBondContact O-N 3.24Å; E56-K59 PolarHBondContact O-N 2.96Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-K59 PolarHBondContact O-N 3.27Å; K59-E61 VanDerWaalsContact C-N 3.3Å; K59-E61 PolarHBondContact O-N 2.87Å; K59-E62 WeakPolarHBondContact O-CB 3.45Å; K59-E62 PolarHBondContact O-N 2.92Å; K59-E63 VanDerWaalsContact CE-OE1 3.3Å; K59-E63 WeakPolarHBondContact CE-OE1 3.35Å; K59-E63 WeakPolarHBondContact O-CG 3.2Å; K59-E63 PolarHBondContact O-N 3.3Å |
| 60 | V | 98.3 | Very high | 95 | Very high | 61 Ų | 61 | 101.5 Ų | 101.5 | 37% | 0.37 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -39.1 | 177.7 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | E56 L57 E62 E63 I64 | E56-V60 HydrophobicContact CG-CG2 4.39Å; E56-V60 WeakPolarHBondContact O-CG2 3.43Å; E56-V60 PolarHBondContact O-N 3.45Å; L57-V60 PolarHBondContact O-N 3.05Å; V60-E62 PolarHBondContact O-N 2.84Å; V60-E63 PolarHBondContact O-N 3.37Å; V60-I64 HydrophobicContact CG1-CD1 3.87Å; V60-I64 HydrophobicContact CG1-CG1 4.4Å; V60-I64 WeakPolarHBondContact O-CB 3.34Å; V60-I64 VanDerWaalsContact O-CG1 3.24Å; V60-I64 WeakPolarHBondContact O-CG1 3.28Å; V60-I64 PolarHBondContact O-N 3.1Å |
| 61 | E | 97.7 | Very high | 95.9 | Very high | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -40 | 175.3 | -73.5 | 179.2 | 156.6 | 0 | 0 | 112.5 | L57 T58 K59 I64 N65 | L57-E61 HydrophobicContact CD1-CG 4.45Å; L57-E61 WeakPolarHBondContact O-CB 3.47Å; L57-E61 VanDerWaalsContact O-CG 3.31Å; L57-E61 WeakPolarHBondContact O-CG 3.31Å; L57-E61 PolarHBondContact O-N 2.94Å; T58-E61 PolarHBondContact O-N 2.89Å; K59-E61 VanDerWaalsContact C-N 3.3Å; K59-E61 PolarHBondContact O-N 2.87Å; E61-I64 PolarHBondContact O-N 3.02Å; E61-N65 WeakPolarHBondContact O-CB 3.44Å; E61-N65 PolarHBondContact O-N 3.17Å |
| 62 | E | 98.1 | Very high | 96.6 | Very high | 124 Ų | 124 | 102.4 Ų | 102.4 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.1 | -43.1 | 173.9 | -71.5 | 178 | 171.8 | 0 | 0 | 112.4 | T58 K59 V60 N65 T66 | T58-E62 WeakPolarHBondContact O-CG 3.46Å; T58-E62 PolarHBondContact O-N 3.41Å; K59-E62 WeakPolarHBondContact O-CB 3.45Å; K59-E62 PolarHBondContact O-N 2.92Å; V60-E62 PolarHBondContact O-N 2.84Å; E62-N65 PolarHBondContact O-N 2.82Å; E62-T66 WeakPolarHBondContact O-CB 3.42Å; E62-T66 PolarHBondContact O-N 2.98Å; E62-T66 PolarHBondContact O-OG1 3.05Å |
| 63 | E | 98.3 | Very high | 97.1 | Very high | 101 Ų | 101 | 98.4 Ų | 98.4 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.6 | -73.2 | -179.4 | -166.9 | 0 | 0 | 111.1 | K59 V60 N65 T66 L67 | K59-E63 VanDerWaalsContact CE-OE1 3.3Å; K59-E63 WeakPolarHBondContact CE-OE1 3.35Å; K59-E63 WeakPolarHBondContact O-CG 3.2Å; K59-E63 PolarHBondContact O-N 3.3Å; V60-E63 PolarHBondContact O-N 3.37Å; E63-N65 VanDerWaalsContact C-N 3.31Å; E63-N65 PolarHBondContact O-N 3.41Å; E63-T66 PolarHBondContact O-N 3.39Å; E63-L67 WeakPolarHBondContact O-CB 3.5Å; E63-L67 VanDerWaalsContact O-CG 3.28Å; E63-L67 WeakPolarHBondContact O-CG 3.49Å; E63-L67 PolarHBondContact O-N 3.07Å |
| 64 | I | 98.4 | Very high | 97.4 | Very high | 72 Ų | 72 | 100.8 Ų | 100.8 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.8 | -45.3 | 174.3 | -72.7 | 166.2 | 0 | 0 | 0 | 110.7 | V60 E61 L67 R68 | V60-I64 HydrophobicContact CG1-CD1 3.87Å; V60-I64 HydrophobicContact CG1-CG1 4.4Å; V60-I64 WeakPolarHBondContact O-CB 3.34Å; V60-I64 VanDerWaalsContact O-CG1 3.24Å; V60-I64 WeakPolarHBondContact O-CG1 3.28Å; V60-I64 PolarHBondContact O-N 3.1Å; E61-I64 PolarHBondContact O-N 3.02Å; I64-L67 PolarHBondContact O-N 3.47Å; I64-R68 WeakPolarHBondContact O-CG 3.4Å; I64-R68 PolarHBondContact O-N 3.14Å |
| 65 | N | 98.4 | Very high | 97.7 | Very high | 82 Ų | 82 | 100 Ų | 100 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 178.9 | -166 | -31.1 | 0 | 0 | 0 | 111 | E61 E62 E63 L67 R68 Q69 | E61-N65 WeakPolarHBondContact O-CB 3.44Å; E61-N65 PolarHBondContact O-N 3.17Å; E62-N65 PolarHBondContact O-N 2.82Å; E63-N65 VanDerWaalsContact C-N 3.31Å; E63-N65 PolarHBondContact O-N 3.41Å; N65-L67 VanDerWaalsContact C-N 3.34Å; N65-L67 PolarHBondContact O-N 2.95Å; N65-R68 WeakPolarHBondContact O-CB 3.24Å; N65-R68 PolarHBondContact O-N 3.4Å; N65-Q69 WeakPolarHBondContact O-CG 3.47Å; N65-Q69 PolarHBondContact O-N 3.11Å; N65-Q69 PolarHBondContact OD1-NE2 2.89Å |
| 66 | T | 98.4 | Very high | 97.8 | Very high | 78 Ų | 78 | 101.4 Ų | 101.4 | 48% | 0.479 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 176.8 | -58.1 | 0 | 0 | 0 | 0 | 111.4 | E62 E63 R68 Q69 V70 | E62-T66 WeakPolarHBondContact O-CB 3.42Å; E62-T66 PolarHBondContact O-N 2.98Å; E62-T66 PolarHBondContact O-OG1 3.05Å; E63-T66 PolarHBondContact O-N 3.39Å; T66-R68 VanDerWaalsContact C-N 3.33Å; T66-R68 PolarHBondContact O-N 3.45Å; T66-Q69 WeakPolarHBondContact O-CB 3.34Å; T66-Q69 PolarHBondContact O-N 3.07Å; T66-Q69 VanDerWaalsContact O-N 3.14Å; T66-V70 WeakPolarHBondContact O-CG2 3.47Å; T66-V70 PolarHBondContact O-N 2.88Å |
| 67 | L | 98.6 | Very high | 97.9 | Very high | 118 Ų | 118 | 101.2 Ų | 101.2 | 62% | 0.618 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -39.4 | 177.4 | -72 | 174.1 | 0 | 0 | 0 | 112.2 | E63 I64 N65 Q69 V70 L71 | E63-L67 WeakPolarHBondContact O-CB 3.5Å; E63-L67 VanDerWaalsContact O-CG 3.28Å; E63-L67 WeakPolarHBondContact O-CG 3.49Å; E63-L67 PolarHBondContact O-N 3.07Å; I64-L67 PolarHBondContact O-N 3.47Å; N65-L67 VanDerWaalsContact C-N 3.34Å; N65-L67 PolarHBondContact O-N 2.95Å; L67-Q69 VanDerWaalsContact C-N 3.33Å; L67-Q69 PolarHBondContact O-N 3.5Å; L67-V70 PolarHBondContact O-N 3.28Å; L67-L71 VanDerWaalsContact O-CB 3.32Å; L67-L71 WeakPolarHBondContact O-CB 3.46Å; L67-L71 PolarHBondContact O-N 3.24Å |
| 68 | R | 98.6 | Very high | 97.8 | Very high | 173 Ų | 173 | 98.5 Ų | 98.5 | 65% | 0.653 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.2 | -41.6 | 173.5 | -73.7 | 171.8 | 175.8 | 165.8 | 1.3 | 111.9 | I64 N65 T66 L71 S72 | I64-R68 WeakPolarHBondContact O-CG 3.4Å; I64-R68 PolarHBondContact O-N 3.14Å; N65-R68 WeakPolarHBondContact O-CB 3.24Å; N65-R68 PolarHBondContact O-N 3.4Å; T66-R68 VanDerWaalsContact C-N 3.33Å; T66-R68 PolarHBondContact O-N 3.45Å; R68-L71 PolarHBondContact O-N 3.33Å; R68-S72 WeakPolarHBondContact O-CB 3.49Å; R68-S72 PolarHBondContact O-N 2.83Å |
| 69 | Q | 98.6 | Very high | 97.6 | Very high | 124 Ų | 124 | 98.8 Ų | 98.8 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 176.7 | -66.5 | 174.9 | 24.5 | 0 | 0 | 111.4 | N65 T66 L67 L71 S72 A73 | N65-Q69 WeakPolarHBondContact O-CG 3.47Å; N65-Q69 PolarHBondContact O-N 3.11Å; N65-Q69 PolarHBondContact OD1-NE2 2.89Å; T66-Q69 WeakPolarHBondContact O-CB 3.34Å; T66-Q69 PolarHBondContact O-N 3.07Å; T66-Q69 VanDerWaalsContact O-N 3.14Å; L67-Q69 VanDerWaalsContact C-N 3.33Å; L67-Q69 PolarHBondContact O-N 3.5Å; Q69-L71 VanDerWaalsContact C-N 3.35Å; Q69-L71 PolarHBondContact O-N 2.92Å; Q69-S72 PolarHBondContact O-N 3.35Å; Q69-A73 WeakPolarHBondContact O-CB 3.43Å; Q69-A73 PolarHBondContact O-N 2.98Å |
| 70 | V | 98.8 | Very high | 97.3 | Very high | 75 Ų | 75 | 96.1 Ų | 96.1 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 176.7 | 171.6 | 0 | 0 | 0 | 0 | 111 | T66 L67 A73 K74 | T66-V70 WeakPolarHBondContact O-CG2 3.47Å; T66-V70 PolarHBondContact O-N 2.88Å; L67-V70 PolarHBondContact O-N 3.28Å; V70-A73 WeakPolarHBondContact O-CB 3.46Å; V70-A73 PolarHBondContact O-N 3.25Å; V70-K74 WeakPolarHBondContact O-CG 3.37Å; V70-K74 PolarHBondContact O-N 2.94Å |
| 71 | L | 98.4 | Very high | 97.2 | Very high | 101 Ų | 101 | 97 Ų | 97 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 176.6 | -178.5 | 61.8 | 0 | 0 | 0 | 110.9 | L67 R68 Q69 A73 K74 E75 | L67-L71 VanDerWaalsContact O-CB 3.32Å; L67-L71 WeakPolarHBondContact O-CB 3.46Å; L67-L71 PolarHBondContact O-N 3.24Å; R68-L71 PolarHBondContact O-N 3.33Å; Q69-L71 VanDerWaalsContact C-N 3.35Å; Q69-L71 PolarHBondContact O-N 2.92Å; L71-A73 VanDerWaalsContact C-N 3.25Å; L71-A73 PolarHBondContact O-N 3.44Å; L71-K74 CarbonylContact O-C 3.58Å; L71-K74 WeakPolarHBondContact O-CA 3.45Å; L71-K74 WeakPolarHBondContact O-CB 3.37Å; L71-K74 PolarHBondContact O-N 3.48Å; L71-E75 HydrophobicContact CD1-CG 4.49Å; L71-E75 HydrophobicContact CG-CG 4.49Å; L71-E75 WeakPolarHBondContact O-CG 3.32Å; L71-E75 PolarHBondContact O-N 3.45Å |
| 72 | S | 97.9 | Very high | 96.8 | Very high | 39 Ų | 39 | 97.5 Ų | 97.5 | 27% | 0.273 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.8 | -38.9 | 175.5 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | R68 Q69 E75 R76 | R68-S72 WeakPolarHBondContact O-CB 3.49Å; R68-S72 PolarHBondContact O-N 2.83Å; Q69-S72 PolarHBondContact O-N 3.35Å; S72-E75 PolarHBondContact O-N 3.14Å; S72-R76 VanDerWaalsContact C-NH1 3.27Å; S72-R76 PolarHBondContact O-N 2.66Å; S72-R76 PolarHBondContact O-NH1 3.43Å; S72-R76 PolarHBondContact OG-NH1 3.49Å; S72-R76 VanDerWaalsContact OG-NH1 3.11Å; S72-R76 PolarHBondContact OG-NH2 2.83Å; S72-R76 VanDerWaalsContact OG-NH2 3.1Å |
| 73 | A | 98.2 | Very high | 96.4 | Very high | 52 Ų | 52 | 98.6 Ų | 98.6 | 43% | 0.43 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -43 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q69 V70 L71 R76 H77 | Q69-A73 WeakPolarHBondContact O-CB 3.43Å; Q69-A73 PolarHBondContact O-N 2.98Å; V70-A73 WeakPolarHBondContact O-CB 3.46Å; V70-A73 PolarHBondContact O-N 3.25Å; L71-A73 VanDerWaalsContact C-N 3.25Å; L71-A73 PolarHBondContact O-N 3.44Å; A73-R76 PolarHBondContact O-N 2.89Å; A73-H77 WeakPolarHBondContact O-CB 3.42Å; A73-H77 PolarHBondContact O-N 3.03Å |
| 74 | K | 97.9 | Very high | 95.9 | Very high | 144 Ų | 144 | 101.1 Ų | 101.1 | 63% | 0.626 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -41.7 | 175 | -72.3 | -83.2 | -171.5 | -147.2 | 0 | 112.1 | V70 L71 H77 A78 | V70-K74 WeakPolarHBondContact O-CG 3.37Å; V70-K74 PolarHBondContact O-N 2.94Å; L71-K74 CarbonylContact O-C 3.58Å; L71-K74 WeakPolarHBondContact O-CA 3.45Å; L71-K74 WeakPolarHBondContact O-CB 3.37Å; L71-K74 PolarHBondContact O-N 3.48Å; K74-H77 PolarHBondContact O-N 2.88Å; K74-A78 WeakPolarHBondContact O-CB 3.48Å; K74-A78 PolarHBondContact O-N 2.94Å |
| 75 | E | 96.9 | Very high | 95.4 | Very high | 111 Ų | 111 | 104 Ų | 104 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 177 | -73 | 174.8 | 164.1 | 0 | 0 | 112 | L71 S72 A78 S79 | L71-E75 HydrophobicContact CD1-CG 4.49Å; L71-E75 HydrophobicContact CG-CG 4.49Å; L71-E75 WeakPolarHBondContact O-CG 3.32Å; L71-E75 PolarHBondContact O-N 3.45Å; S72-E75 PolarHBondContact O-N 3.14Å; E75-A78 PolarHBondContact O-N 3.37Å; E75-S79 WeakPolarHBondContact O-CB 3.47Å; E75-S79 PolarHBondContact O-N 3.18Å; E75-S79 PolarHBondContact O-OG 2.95Å |
| 76 | R | 96.3 | Very high | 94.6 | Very high | 157 Ų | 157 | 102 Ų | 102 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.9 | -46.2 | 171.9 | -75.4 | -170.4 | -149.4 | 79.6 | -1.5 | 111.5 | S72 A73 A78 S79 E80 | S72-R76 VanDerWaalsContact C-NH1 3.27Å; S72-R76 PolarHBondContact O-N 2.66Å; S72-R76 PolarHBondContact O-NH1 3.43Å; S72-R76 PolarHBondContact OG-NH1 3.49Å; S72-R76 VanDerWaalsContact OG-NH1 3.11Å; S72-R76 PolarHBondContact OG-NH2 2.83Å; S72-R76 VanDerWaalsContact OG-NH2 3.1Å; A73-R76 PolarHBondContact O-N 2.89Å; R76-A78 VanDerWaalsContact C-N 3.34Å; R76-A78 PolarHBondContact O-N 3.39Å; R76-S79 WeakPolarHBondContact O-CB 3.38Å; R76-S79 PolarHBondContact O-N 3.42Å; R76-E80 WeakPolarHBondContact O-CB 3.4Å; R76-E80 PolarHBondContact O-N 3.42Å |
| 77 | H | 97.1 | Very high | 93.6 | Very high | 111 Ų | 111 | 103.1 Ų | 103.1 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 179.2 | -176 | -110.3 | 0 | 0 | 0 | 112.4 | A73 K74 S79 E80 L81 | A73-H77 WeakPolarHBondContact O-CB 3.42Å; A73-H77 PolarHBondContact O-N 3.03Å; K74-H77 PolarHBondContact O-N 2.88Å; H77-S79 VanDerWaalsContact C-N 3.34Å; H77-E80 WeakPolarHBondContact O-CB 3.48Å; H77-E80 PolarHBondContact O-N 2.83Å; H77-L81 WeakPolarHBondContact O-CG 3.46Å; H77-L81 PolarHBondContact O-N 3.33Å |
| 78 | A | 94.9 | Very high | 92.8 | Very high | 44 Ų | 44 | 99.2 Ų | 99.2 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K74 E75 R76 E80 L81 K82 | K74-A78 WeakPolarHBondContact O-CB 3.48Å; K74-A78 PolarHBondContact O-N 2.94Å; E75-A78 PolarHBondContact O-N 3.37Å; R76-A78 VanDerWaalsContact C-N 3.34Å; R76-A78 PolarHBondContact O-N 3.39Å; A78-E80 VanDerWaalsContact C-N 3.34Å; A78-L81 PolarHBondContact O-N 3.14Å; A78-K82 WeakPolarHBondContact O-CG 3.43Å; A78-K82 PolarHBondContact O-N 3.04Å |
| 79 | S | 92.2 | Very high | 91.6 | Very high | 73 Ų | 73 | 95.9 Ų | 95.9 | 51% | 0.51 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 175.5 | -58 | 0 | 0 | 0 | 0 | 111.9 | E75 R76 H77 K82 R83 | E75-S79 WeakPolarHBondContact O-CB 3.47Å; E75-S79 PolarHBondContact O-N 3.18Å; E75-S79 PolarHBondContact O-OG 2.95Å; R76-S79 WeakPolarHBondContact O-CB 3.38Å; R76-S79 PolarHBondContact O-N 3.42Å; H77-S79 VanDerWaalsContact C-N 3.34Å; S79-K82 PolarHBondContact O-N 3.44Å; S79-R83 PolarHBondContact O-N 2.81Å |
| 80 | E | 92.4 | Very high | 90.7 | Very high | 68 Ų | 68 | 96 Ų | 96 | 32% | 0.318 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.3 | -176.9 | 65.4 | -152.7 | 0 | 0 | 111.7 | R76 H77 A78 R83 K84 | R76-E80 WeakPolarHBondContact O-CB 3.4Å; R76-E80 PolarHBondContact O-N 3.42Å; H77-E80 WeakPolarHBondContact O-CB 3.48Å; H77-E80 PolarHBondContact O-N 2.83Å; A78-E80 VanDerWaalsContact C-N 3.34Å; E80-R83 VanDerWaalsContact CD-NH2 3.27Å; E80-R83 WeakPolarHBondContact O-CB 3.35Å; E80-R83 PolarHBondContact O-N 3.38Å; E80-R83 IonicContact OE1-CZ 3.69Å; E80-R83 IonicContact OE1-NE 2.66Å; E80-R83 IonicContact OE1-NH2 2.66Å; E80-R83 PolarHBondContact OE1-NH2 2.85Å; E80-R83 IonicContact OE2-CZ 3.54Å; E80-R83 IonicContact OE2-NE 3.53Å; E80-R83 IonicContact OE2-NH2 3.14Å; E80-R83 PolarHBondContact OE2-NH2 3.21Å; E80-R83 VanDerWaalsContact OE2-NH2 3.14Å; E80-K84 WeakPolarHBondContact O-CG 3.47Å; E80-K84 PolarHBondContact O-N 3.07Å; E80-K84 WeakPolarHBondContact OE1-CE 3.42Å |
| 81 | L | 94.4 | Very high | 89.6 | Confident | 80 Ų | 80 | 95.8 Ų | 95.8 | 42% | 0.419 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -46 | 173.6 | -74.8 | 172 | 0 | 0 | 0 | 112 | H77 A78 R83 K84 L85 | H77-L81 WeakPolarHBondContact O-CG 3.46Å; H77-L81 PolarHBondContact O-N 3.33Å; A78-L81 PolarHBondContact O-N 3.14Å; L81-R83 VanDerWaalsContact C-N 3.27Å; L81-R83 PolarHBondContact O-N 2.9Å; L81-K84 PolarHBondContact O-N 3.07Å; L81-K84 VanDerWaalsContact O-N 3.14Å; L81-L85 WeakPolarHBondContact O-CB 3.44Å; L81-L85 WeakPolarHBondContact O-CG 3.42Å; L81-L85 PolarHBondContact O-N 2.98Å |
| 82 | K | 90.6 | Very high | 88.7 | Confident | 120 Ų | 120 | 96.4 Ų | 96.4 | 52% | 0.522 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56 | -43.5 | 174.6 | -76.3 | 179.1 | 179.9 | -178.6 | 0 | 111.3 | A78 S79 L85 G86 L87 | A78-K82 WeakPolarHBondContact O-CG 3.43Å; A78-K82 PolarHBondContact O-N 3.04Å; S79-K82 PolarHBondContact O-N 3.44Å; K82-L85 CarbonylContact O-C 3.55Å; K82-L85 PolarHBondContact O-N 3.4Å; K82-G86 PolarHBondContact O-N 3.36Å; K82-G86 VanDerWaalsContact O-N 3.11Å; K82-L87 HydrophobicContact CB-CB 4.22Å; K82-L87 WeakPolarHBondContact O-CA 3.4Å; K82-L87 PolarHBondContact O-N 3.13Å |
| 83 | R | 88.6 | Confident | 88.1 | Confident | 148 Ų | 148 | 99 Ų | 99 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.1 | -48 | 174.7 | -175.4 | -178.6 | 73.6 | 152.1 | 2.6 | 112.1 | S79 E80 L81 L85 G86 | S79-R83 PolarHBondContact O-N 2.81Å; E80-R83 VanDerWaalsContact CD-NH2 3.27Å; E80-R83 WeakPolarHBondContact O-CB 3.35Å; E80-R83 PolarHBondContact O-N 3.38Å; E80-R83 IonicContact OE1-CZ 3.69Å; E80-R83 IonicContact OE1-NE 2.66Å; E80-R83 IonicContact OE1-NH2 2.66Å; E80-R83 PolarHBondContact OE1-NH2 2.85Å; E80-R83 IonicContact OE2-CZ 3.54Å; E80-R83 IonicContact OE2-NE 3.53Å; E80-R83 IonicContact OE2-NH2 3.14Å; E80-R83 PolarHBondContact OE2-NH2 3.21Å; E80-R83 VanDerWaalsContact OE2-NH2 3.14Å; L81-R83 VanDerWaalsContact C-N 3.27Å; L81-R83 PolarHBondContact O-N 2.9Å; R83-L85 VanDerWaalsContact C-N 3.27Å; R83-L85 PolarHBondContact O-N 2.9Å; R83-G86 PolarHBondContact O-N 3.34Å |
| 84 | K | 88.5 | Confident | 87.4 | Confident | 154 Ų | 154 | 103.3 Ų | 103.3 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.9 | -33.3 | 178.1 | -74 | 178.3 | 179.3 | -178.6 | 0 | 112.8 | E80 L81 G86 | E80-K84 WeakPolarHBondContact O-CG 3.47Å; E80-K84 PolarHBondContact O-N 3.07Å; E80-K84 WeakPolarHBondContact OE1-CE 3.42Å; L81-K84 PolarHBondContact O-N 3.07Å; L81-K84 VanDerWaalsContact O-N 3.14Å; K84-G86 VanDerWaalsContact C-N 3.28Å |
| 85 | L | 87.1 | Confident | 86.8 | Confident | 131 Ų | 131 | 102.2 Ų | 102.2 | 69% | 0.686 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -1.3 | 175 | -66 | 172.8 | 0 | 0 | 0 | 113.4 | L81 K82 R83 L87 | L81-L85 WeakPolarHBondContact O-CB 3.44Å; L81-L85 WeakPolarHBondContact O-CG 3.42Å; L81-L85 PolarHBondContact O-N 2.98Å; K82-L85 CarbonylContact O-C 3.55Å; K82-L85 PolarHBondContact O-N 3.4Å; R83-L85 VanDerWaalsContact C-N 3.27Å; R83-L85 PolarHBondContact O-N 2.9Å; L85-L87 VanDerWaalsContact C-N 3.29Å; L85-L87 HydrophobicContact CB-CD1 4.44Å; L85-L87 HydrophobicContact CB-CG 4.39Å; L85-L87 PolarHBondContact O-N 3.03Å |
| 86 | G | 81.3 | Confident | 86.3 | Confident | 41 Ų | 41 | 101.5 Ų | 101.5 | 42% | 0.423 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 3.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | K82 R83 K84 S88 | K82-G86 PolarHBondContact O-N 3.36Å; K82-G86 VanDerWaalsContact O-N 3.11Å; R83-G86 PolarHBondContact O-N 3.34Å; K84-G86 VanDerWaalsContact C-N 3.28Å; G86-S88 PolarHBondContact O-N 2.84Å |
| 87 | L | 79 | Confident | 85.9 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | trans | -82.7 | 42.9 | 176.4 | -57.4 | 174.3 | 0 | 0 | 0 | 111.5 | K82 L85 | K82-L87 HydrophobicContact CB-CB 4.22Å; K82-L87 WeakPolarHBondContact O-CA 3.4Å; K82-L87 PolarHBondContact O-N 3.13Å; L85-L87 VanDerWaalsContact C-N 3.29Å; L85-L87 HydrophobicContact CB-CD1 4.44Å; L85-L87 HydrophobicContact CB-CG 4.39Å; L85-L87 PolarHBondContact O-N 3.03Å | ||
| 88 | S | 80.9 | Confident | 85.4 | Confident | 37 Ų | 37 | 97.3 Ų | 97.3 | 26% | 0.259 | 51% | 0.509 | S | S | . | . | trans | -87.1 | 132.5 | -176.9 | -167.7 | 0 | 0 | 0 | 0 | 109.9 | G86 L90 N91 E92 | G86-S88 PolarHBondContact O-N 2.84Å; S88-L90 PolarHBondContact O-N 3.11Å; S88-N91 WeakPolarHBondContact O-CB 3.19Å; S88-N91 PolarHBondContact O-N 2.78Å; S88-E92 PolarHBondContact O-N 3.47Å | ||
| 89 | P | 74 | Confident | 85 | Confident | 103 Ų | 103 | 102.5 Ų | 102.5 | 67% | 0.669 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -52.2 | -29.9 | 178 | -28 | 34.3 | 0 | 0 | 0 | 114 | L93 | P89-L93 PolarHBondContact O-N 3.43Å; P89-L93 VanDerWaalsContact O-N 3.09Å |
| 90 | L | 78.6 | Confident | 84.9 | Confident | 125 Ų | 125 | 102.3 Ų | 102.3 | 65% | 0.654 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70 | -31.3 | 176.8 | -173.1 | 62.1 | 0 | 0 | 0 | 112.8 | S88 K94 | S88-L90 PolarHBondContact O-N 3.11Å; L90-K94 VanDerWaalsContact O-CB 3.24Å; L90-K94 WeakPolarHBondContact O-CB 3.26Å; L90-K94 PolarHBondContact O-N 3.32Å |
| 91 | N | 76.5 | Confident | 84.6 | Confident | 71 Ų | 71 | 106.3 Ų | 106.3 | 38% | 0.38 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 178.1 | -167.7 | 63.6 | 0 | 0 | 0 | 110.8 | S88 K94 Q95 | S88-N91 WeakPolarHBondContact O-CB 3.19Å; S88-N91 PolarHBondContact O-N 2.78Å; N91-K94 PolarHBondContact O-N 2.69Å; N91-Q95 WeakPolarHBondContact O-CB 3.24Å; N91-Q95 VanDerWaalsContact O-CG 3.28Å; N91-Q95 WeakPolarHBondContact O-CG 3.34Å; N91-Q95 PolarHBondContact O-N 3.01Å |
| 92 | E | 79.1 | Confident | 84.2 | Confident | 114 Ų | 114 | 107.3 Ų | 107.3 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 173.7 | -68.2 | 175.3 | -154.2 | 0 | 0 | 111.8 | S88 Q95 N96 | S88-E92 PolarHBondContact O-N 3.47Å; E92-Q95 PolarHBondContact O-N 3.09Å; E92-N96 WeakPolarHBondContact O-CB 3.49Å; E92-N96 PolarHBondContact O-N 3.34Å; E92-N96 PolarHBondContact O-ND2 2.94Å |
| 93 | L | 84.7 | Confident | 84 | Confident | 95 Ų | 95 | 106.6 Ų | 106.6 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62 | -47.2 | 176.1 | -179.1 | 63.9 | 0 | 0 | 0 | 111.7 | P89 Q95 N96 I97 | P89-L93 PolarHBondContact O-N 3.43Å; P89-L93 VanDerWaalsContact O-N 3.09Å; L93-Q95 VanDerWaalsContact C-N 3.3Å; L93-Q95 PolarHBondContact O-N 3.44Å; L93-N96 PolarHBondContact O-N 3.21Å; L93-I97 HydrophobicContact CD1-CD1 3.72Å; L93-I97 HydrophobicContact CD1-CG1 4.06Å; L93-I97 HydrophobicContact CD2-CD1 4.45Å; L93-I97 HydrophobicContact CG-CD1 3.78Å; L93-I97 HydrophobicContact CG-CG1 4.43Å; L93-I97 WeakPolarHBondContact O-CB 3.41Å; L93-I97 WeakPolarHBondContact O-CG1 3.48Å; L93-I97 PolarHBondContact O-N 3.2Å |
| 94 | K | 84.3 | Confident | 83.8 | Confident | 142 Ų | 142 | 103.1 Ų | 103.1 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.8 | -43.9 | 178.1 | -177.6 | -178.9 | 176.2 | -176.4 | 0 | 110.9 | L90 N91 T98 | L90-K94 VanDerWaalsContact O-CB 3.24Å; L90-K94 WeakPolarHBondContact O-CB 3.26Å; L90-K94 PolarHBondContact O-N 3.32Å; N91-K94 PolarHBondContact O-N 2.69Å; K94-T98 VanDerWaalsContact O-CB 3.28Å; K94-T98 WeakPolarHBondContact O-CB 3.38Å; K94-T98 PolarHBondContact O-N 2.92Å; K94-T98 PolarHBondContact O-OG1 2.83Å |
| 95 | Q | 84.7 | Confident | 83.2 | Confident | 121 Ų | 121 | 99.1 Ų | 99.1 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.9 | -42.6 | 178.1 | -74.6 | -170.2 | -9.6 | 0 | 0 | 112.1 | N91 E92 L93 T98 K99 | N91-Q95 WeakPolarHBondContact O-CB 3.24Å; N91-Q95 VanDerWaalsContact O-CG 3.28Å; N91-Q95 WeakPolarHBondContact O-CG 3.34Å; N91-Q95 PolarHBondContact O-N 3.01Å; E92-Q95 PolarHBondContact O-N 3.09Å; L93-Q95 VanDerWaalsContact C-N 3.3Å; L93-Q95 PolarHBondContact O-N 3.44Å; Q95-T98 PolarHBondContact O-N 2.94Å; Q95-K99 WeakPolarHBondContact O-CB 3.46Å; Q95-K99 PolarHBondContact O-N 3.03Å |
| 96 | N | 87.1 | Confident | 82.7 | Confident | 96 Ų | 96 | 96.7 Ų | 96.7 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 176.4 | -81.5 | -40.1 | 0 | 0 | 0 | 112 | E92 L93 T98 K99 S100 | E92-N96 WeakPolarHBondContact O-CB 3.49Å; E92-N96 PolarHBondContact O-N 3.34Å; E92-N96 PolarHBondContact O-ND2 2.94Å; L93-N96 PolarHBondContact O-N 3.21Å; N96-T98 PolarHBondContact O-N 3.18Å; N96-K99 PolarHBondContact O-N 2.84Å; N96-S100 VanDerWaalsContact O-CB 3.27Å; N96-S100 WeakPolarHBondContact O-CB 3.41Å; N96-S100 PolarHBondContact O-N 3.44Å; N96-S100 PolarHBondContact O-OG 2.95Å |
| 97 | I | 87.5 | Confident | 82.6 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 177.8 | -66.4 | 171.8 | 0 | 0 | 0 | 110.8 | L93 K99 S100 W101 | L93-I97 HydrophobicContact CD1-CD1 3.72Å; L93-I97 HydrophobicContact CD1-CG1 4.06Å; L93-I97 HydrophobicContact CD2-CD1 4.45Å; L93-I97 HydrophobicContact CG-CD1 3.78Å; L93-I97 HydrophobicContact CG-CG1 4.43Å; L93-I97 WeakPolarHBondContact O-CB 3.41Å; L93-I97 WeakPolarHBondContact O-CG1 3.48Å; L93-I97 PolarHBondContact O-N 3.2Å; I97-K99 VanDerWaalsContact C-N 3.34Å; I97-K99 PolarHBondContact O-N 2.71Å; I97-S100 PolarHBondContact O-N 2.76Å; I97-W101 WeakPolarHBondContact O-CB 3.28Å; I97-W101 PolarHBondContact O-N 3.46Å |
| 98 | T | 87.1 | Confident | 82.2 | Confident | 77 Ų | 77 | 98.9 Ų | 98.9 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 178.8 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | K94 Q95 N96 Q102 | K94-T98 VanDerWaalsContact O-CB 3.28Å; K94-T98 WeakPolarHBondContact O-CB 3.38Å; K94-T98 PolarHBondContact O-N 2.92Å; K94-T98 PolarHBondContact O-OG1 2.83Å; Q95-T98 PolarHBondContact O-N 2.94Å; N96-T98 PolarHBondContact O-N 3.18Å; T98-Q102 VanDerWaalsContact O-CB 3.32Å; T98-Q102 WeakPolarHBondContact O-CB 3.05Å; T98-Q102 PolarHBondContact O-N 3.24Å |
| 99 | K | 87.5 | Confident | 81.8 | Confident | 154 Ų | 154 | 100.3 Ų | 100.3 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.8 | -48.8 | 178.2 | -172 | -174.1 | 177.9 | 81.8 | 0 | 111.3 | Q95 N96 I97 W101 Q102 D103 | Q95-K99 WeakPolarHBondContact O-CB 3.46Å; Q95-K99 PolarHBondContact O-N 3.03Å; N96-K99 PolarHBondContact O-N 2.84Å; I97-K99 VanDerWaalsContact C-N 3.34Å; I97-K99 PolarHBondContact O-N 2.71Å; K99-W101 VanDerWaalsContact C-N 3.32Å; K99-W101 PolarHBondContact O-N 2.67Å; K99-Q102 PolarHBondContact O-N 3.31Å; K99-D103 WeakPolarHBondContact O-CB 3.28Å; K99-D103 PolarHBondContact O-N 3.2Å |
| 100 | S | 88.3 | Confident | 81.5 | Confident | 68 Ų | 68 | 101 Ų | 101 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 178.2 | -65.6 | 0 | 0 | 0 | 0 | 112.3 | N96 I97 D103 V104 | N96-S100 VanDerWaalsContact O-CB 3.27Å; N96-S100 WeakPolarHBondContact O-CB 3.41Å; N96-S100 PolarHBondContact O-N 3.44Å; N96-S100 PolarHBondContact O-OG 2.95Å; I97-S100 PolarHBondContact O-N 2.76Å; S100-D103 PolarHBondContact O-N 3.14Å; S100-V104 WeakPolarHBondContact O-CB 3.28Å; S100-V104 VanDerWaalsContact O-CG2 3.26Å; S100-V104 WeakPolarHBondContact O-CG2 3.34Å; S100-V104 PolarHBondContact O-N 3.17Å |
| 101 | W | 86.3 | Confident | 81.5 | Confident | 152 Ų | 152 | 99.4 Ų | 99.4 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.2 | -48.8 | 173.2 | 175.5 | -100.4 | 0 | 0 | 0 | 111.6 | I97 K99 D103 V104 Q105 | I97-W101 WeakPolarHBondContact O-CB 3.28Å; I97-W101 PolarHBondContact O-N 3.46Å; K99-W101 VanDerWaalsContact C-N 3.32Å; K99-W101 PolarHBondContact O-N 2.67Å; W101-D103 VanDerWaalsContact C-N 3.27Å; W101-D103 PolarHBondContact O-N 2.85Å; W101-V104 PolarHBondContact O-N 3.47Å; W101-Q105 HydrophobicContact CZ2-CG 4.28Å; W101-Q105 VanDerWaalsContact NE1-NE2 3.15Å; W101-Q105 WeakPolarHBondContact O-CG 3.36Å; W101-Q105 PolarHBondContact O-N 2.88Å |
| 102 | Q | 86.4 | Confident | 81.3 | Confident | 101 Ų | 101 | 99 Ų | 99 | 47% | 0.472 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 176.5 | -160.3 | 72 | 49.6 | 0 | 0 | 111 | T98 K99 Q105 T106 | T98-Q102 VanDerWaalsContact O-CB 3.32Å; T98-Q102 WeakPolarHBondContact O-CB 3.05Å; T98-Q102 PolarHBondContact O-N 3.24Å; K99-Q102 PolarHBondContact O-N 3.31Å; Q102-Q105 WeakPolarHBondContact O-CB 3.36Å; Q102-Q105 PolarHBondContact O-N 3.42Å; Q102-T106 WeakPolarHBondContact O-CG2 3.5Å; Q102-T106 PolarHBondContact O-N 2.94Å; Q102-T106 PolarHBondContact O-OG1 3.37Å |
| 103 | D | 87.4 | Confident | 80.9 | Confident | 106 Ų | 106 | 96 Ų | 96 | 57% | 0.567 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.1 | -43.1 | -179.9 | -164.3 | 48.8 | 0 | 0 | 0 | 111.1 | K99 S100 W101 T106 S107 | K99-D103 WeakPolarHBondContact O-CB 3.28Å; K99-D103 PolarHBondContact O-N 3.2Å; S100-D103 PolarHBondContact O-N 3.14Å; W101-D103 VanDerWaalsContact C-N 3.27Å; W101-D103 PolarHBondContact O-N 2.85Å; D103-T106 CarbonylContact O-C 3.57Å; D103-T106 PolarHBondContact O-N 3.19Å; D103-T106 PolarHBondContact O-OG1 3.26Å; D103-S107 WeakPolarHBondContact O-CA 3.48Å; D103-S107 WeakPolarHBondContact O-CB 3.38Å; D103-S107 PolarHBondContact O-N 3.05Å |
| 104 | V | 82.8 | Confident | 80 | Confident | 74 Ų | 74 | 94 Ų | 94 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 171.9 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | S100 W101 T106 S107 Y110 | S100-V104 WeakPolarHBondContact O-CB 3.28Å; S100-V104 VanDerWaalsContact O-CG2 3.26Å; S100-V104 WeakPolarHBondContact O-CG2 3.34Å; S100-V104 PolarHBondContact O-N 3.17Å; W101-V104 PolarHBondContact O-N 3.47Å; V104-T106 VanDerWaalsContact C-N 3.28Å; V104-T106 PolarHBondContact O-N 2.66Å; V104-S107 PolarHBondContact O-N 3.21Å; V104-S107 PolarHBondContact O-OG 3.26Å; V104-Y110 HydrophobicContact CG1-CD2 4.24Å; V104-Y110 WeakPolarHBondContact O-CB 3.32Å |
| 105 | Q | 77.1 | Confident | 79.3 | Confident | 70 Ų | 70 | 89.8 Ų | 89.8 | 33% | 0.327 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.1 | -37.5 | 178.7 | -73.8 | -173.2 | -39.6 | 0 | 0 | 113.1 | W101 Q102 | W101-Q105 HydrophobicContact CZ2-CG 4.28Å; W101-Q105 VanDerWaalsContact NE1-NE2 3.15Å; W101-Q105 WeakPolarHBondContact O-CG 3.36Å; W101-Q105 PolarHBondContact O-N 2.88Å; Q102-Q105 WeakPolarHBondContact O-CB 3.36Å; Q102-Q105 PolarHBondContact O-N 3.42Å |
| 106 | T | 75.8 | Confident | 78.6 | Confident | 80 Ų | 80 | 87.6 Ų | 87.6 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -92.2 | -7.1 | -179.6 | 57.5 | 0 | 0 | 0 | 0 | 113.6 | Q102 D103 V104 | Q102-T106 WeakPolarHBondContact O-CG2 3.5Å; Q102-T106 PolarHBondContact O-N 2.94Å; Q102-T106 PolarHBondContact O-OG1 3.37Å; D103-T106 CarbonylContact O-C 3.57Å; D103-T106 PolarHBondContact O-N 3.19Å; D103-T106 PolarHBondContact O-OG1 3.26Å; V104-T106 VanDerWaalsContact C-N 3.28Å; V104-T106 PolarHBondContact O-N 2.66Å |
| 107 | S | 78.9 | Confident | 77.8 | Confident | 36 Ų | 36 | 87.8 Ų | 87.8 | 25% | 0.252 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -64.4 | 141.7 | -177.1 | 72.8 | 0 | 0 | 0 | 0 | 110.1 | D103 V104 A109 Y110 L111 | D103-S107 WeakPolarHBondContact O-CA 3.48Å; D103-S107 WeakPolarHBondContact O-CB 3.38Å; D103-S107 PolarHBondContact O-N 3.05Å; V104-S107 PolarHBondContact O-N 3.21Å; V104-S107 PolarHBondContact O-OG 3.26Å; S107-A109 PolarHBondContact O-N 2.97Å; S107-Y110 PolarHBondContact O-N 3.5Å; S107-Y110 VanDerWaalsContact O-N 3.07Å; S107-Y110 WeakPolarHBondContact OG-CB 3.18Å; S107-Y110 PolarHBondContact OG-N 3.45Å; S107-Y110 VanDerWaalsContact OG-N 3.09Å; S107-L111 PolarHBondContact O-N 3.47Å |
| 108 | Q | 71.8 | Confident | 77 | Confident | 152 Ų | 152 | 87.6 Ų | 87.6 | 71% | 0.71 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.4 | -29.4 | 174.7 | -70.5 | -69.3 | 12.9 | 0 | 0 | 111.6 | S112 | Q108-S112 WeakPolarHBondContact O-CB 3.3Å; Q108-S112 PolarHBondContact O-N 3.42Å; Q108-S112 PolarHBondContact O-OG 2.98Å |
| 109 | A | 73.1 | Confident | 76.2 | Confident | 68 Ų | 68 | 89.7 Ų | 89.7 | 56% | 0.562 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.5 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S107 S112 A113 | S107-A109 PolarHBondContact O-N 2.97Å; A109-S112 WeakPolarHBondContact CA-OG 3.39Å; A109-S112 PolarHBondContact O-OG 3.3Å; A109-A113 WeakPolarHBondContact O-CB 3.21Å; A109-A113 PolarHBondContact O-N 2.76Å |
| 110 | Y | 66.6 | Low | 75.3 | Confident | 117 Ų | 117 | 86.8 Ų | 86.8 | 46% | 0.459 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.5 | -42.5 | 176.5 | -172.8 | -96.7 | 0 | 0 | 0 | 112.2 | V104 S107 A113 S114 | V104-Y110 HydrophobicContact CG1-CD2 4.24Å; V104-Y110 WeakPolarHBondContact O-CB 3.32Å; S107-Y110 PolarHBondContact O-N 3.5Å; S107-Y110 VanDerWaalsContact O-N 3.07Å; S107-Y110 WeakPolarHBondContact OG-CB 3.18Å; S107-Y110 PolarHBondContact OG-N 3.45Å; S107-Y110 VanDerWaalsContact OG-N 3.09Å; Y110-A113 PolarHBondContact O-N 3.46Å; Y110-S114 WeakPolarHBondContact O-CB 3.37Å; Y110-S114 PolarHBondContact O-N 2.84Å |
| 111 | L | 78.4 | Confident | 74.4 | Confident | 91 Ų | 91 | 85.5 Ų | 85.5 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.7 | -71.8 | 168.2 | 0 | 0 | 0 | 111.9 | S107 S114 A115 | S107-L111 PolarHBondContact O-N 3.47Å; L111-S114 PolarHBondContact O-N 2.94Å; L111-A115 VanDerWaalsContact O-CB 3.27Å; L111-A115 WeakPolarHBondContact O-CB 3.19Å; L111-A115 PolarHBondContact O-N 3.37Å |
| 112 | S | 72.4 | Confident | 73.7 | Confident | 64 Ų | 64 | 84.4 Ų | 84.4 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -71.6 | -37.7 | 175.3 | 62 | 0 | 0 | 0 | 0 | 112.5 | Q108 A109 A115 T116 | Q108-S112 WeakPolarHBondContact O-CB 3.3Å; Q108-S112 PolarHBondContact O-N 3.42Å; Q108-S112 PolarHBondContact O-OG 2.98Å; A109-S112 WeakPolarHBondContact CA-OG 3.39Å; A109-S112 PolarHBondContact O-OG 3.3Å; S112-A115 PolarHBondContact O-N 2.85Å; S112-T116 WeakPolarHBondContact O-CB 3.48Å; S112-T116 VanDerWaalsContact O-CG2 3.3Å; S112-T116 WeakPolarHBondContact O-CG2 3.29Å; S112-T116 PolarHBondContact O-N 2.79Å; S112-T116 PolarHBondContact O-OG1 2.9Å |
| 113 | A | 70.9 | Confident | 73.1 | Confident | 51 Ų | 51 | 81.4 Ų | 81.4 | 42% | 0.421 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | A109 Y110 T116 L117 | A109-A113 WeakPolarHBondContact O-CB 3.21Å; A109-A113 PolarHBondContact O-N 2.76Å; Y110-A113 PolarHBondContact O-N 3.46Å; A113-T116 VanDerWaalsContact CA-OG1 3.3Å; A113-T116 WeakPolarHBondContact CA-OG1 3.26Å; A113-T116 PolarHBondContact O-OG1 3.43Å; A113-L117 WeakPolarHBondContact O-CB 3.4Å; A113-L117 PolarHBondContact O-N 3.39Å |
| 114 | S | 65.8 | Low | 72.4 | Confident | 52 Ų | 52 | 83 Ų | 83 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67 | -41.8 | 175 | -171.8 | 0 | 0 | 0 | 0 | 111.3 | Y110 L111 L117 D118 | Y110-S114 WeakPolarHBondContact O-CB 3.37Å; Y110-S114 PolarHBondContact O-N 2.84Å; L111-S114 PolarHBondContact O-N 2.94Å; S114-L117 PolarHBondContact O-N 2.95Å; S114-D118 WeakPolarHBondContact O-CB 3.26Å; S114-D118 PolarHBondContact O-N 2.91Å |
| 115 | A | 70.3 | Confident | 72 | Confident | 54 Ų | 54 | 82.7 Ų | 82.7 | 45% | 0.446 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L111 S112 L117 D118 D119 | L111-A115 VanDerWaalsContact O-CB 3.27Å; L111-A115 WeakPolarHBondContact O-CB 3.19Å; L111-A115 PolarHBondContact O-N 3.37Å; S112-A115 PolarHBondContact O-N 2.85Å; A115-L117 VanDerWaalsContact C-N 3.34Å; A115-D118 PolarHBondContact O-N 3.44Å; A115-D119 PolarHBondContact O-N 3.48Å |
| 116 | T | 68.8 | Low | 71.8 | Confident | 75 Ų | 75 | 84.2 Ų | 84.2 | 46% | 0.46 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.2 | -32.7 | 174.7 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | S112 A113 D119 I120 | S112-T116 WeakPolarHBondContact O-CB 3.48Å; S112-T116 VanDerWaalsContact O-CG2 3.3Å; S112-T116 WeakPolarHBondContact O-CG2 3.29Å; S112-T116 PolarHBondContact O-N 2.79Å; S112-T116 PolarHBondContact O-OG1 2.9Å; A113-T116 VanDerWaalsContact CA-OG1 3.3Å; A113-T116 WeakPolarHBondContact CA-OG1 3.26Å; A113-T116 PolarHBondContact O-OG1 3.43Å; T116-D119 PolarHBondContact O-N 2.82Å; T116-I120 VanDerWaalsContact O-CB 3.28Å; T116-I120 WeakPolarHBondContact O-CB 3.48Å; T116-I120 WeakPolarHBondContact O-CD1 3.48Å; T116-I120 WeakPolarHBondContact O-CG1 3.27Å; T116-I120 PolarHBondContact O-N 2.76Å |
| 117 | L | 70.3 | Confident | 72 | Confident | 100 Ų | 100 | 85.3 Ų | 85.3 | 52% | 0.524 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 172.4 | -172.6 | 68.6 | 0 | 0 | 0 | 111.2 | A113 S114 A115 I120 T121 | A113-L117 WeakPolarHBondContact O-CB 3.4Å; A113-L117 PolarHBondContact O-N 3.39Å; S114-L117 PolarHBondContact O-N 2.95Å; A115-L117 VanDerWaalsContact C-N 3.34Å; L117-I120 PolarHBondContact O-N 3.32Å; L117-T121 HydrophobicContact CD1-CG2 4.36Å; L117-T121 HydrophobicContact CG-CG2 4.25Å; L117-T121 VanDerWaalsContact O-CB 3.3Å; L117-T121 WeakPolarHBondContact O-CB 3.46Å; L117-T121 WeakPolarHBondContact O-CG2 3.18Å; L117-T121 PolarHBondContact O-N 3.29Å; L117-T121 PolarHBondContact O-OG1 3.01Å |
| 118 | D | 71.1 | Confident | 72.1 | Confident | 97 Ų | 97 | 90.6 Ų | 90.6 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 171.8 | -106.9 | 19.8 | 0 | 0 | 0 | 110.7 | S114 A115 I120 T121 H122 | S114-D118 WeakPolarHBondContact O-CB 3.26Å; S114-D118 PolarHBondContact O-N 2.91Å; A115-D118 PolarHBondContact O-N 3.44Å; D118-I120 PolarHBondContact O-N 3.49Å; D118-T121 WeakPolarHBondContact CA-OG1 3.21Å; D118-T121 PolarHBondContact O-N 3.44Å; D118-T121 PolarHBondContact O-OG1 2.92Å; D118-H122 WeakPolarHBondContact O-CB 3.27Å; D118-H122 PolarHBondContact O-N 3.46Å; D118-H122 PolarHBondContact O-ND1 2.77Å |
| 119 | D | 71.4 | Confident | 72.4 | Confident | 122 Ų | 122 | 87.6 Ų | 87.6 | 65% | 0.652 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 175.4 | -84.8 | -5.8 | 0 | 0 | 0 | 112.1 | A115 T116 S123 | A115-D119 PolarHBondContact O-N 3.48Å; T116-D119 PolarHBondContact O-N 2.82Å; D119-S123 WeakPolarHBondContact O-CB 3.44Å; D119-S123 PolarHBondContact O-N 2.89Å |
| 120 | I | 66.8 | Low | 72.7 | Confident | 92 Ų | 92 | 89 Ų | 89 | 47% | 0.472 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 178.9 | -73.1 | 161.3 | 0 | 0 | 0 | 110.4 | T116 L117 D118 H122 S123 Y126 | T116-I120 VanDerWaalsContact O-CB 3.28Å; T116-I120 WeakPolarHBondContact O-CB 3.48Å; T116-I120 WeakPolarHBondContact O-CD1 3.48Å; T116-I120 WeakPolarHBondContact O-CG1 3.27Å; T116-I120 PolarHBondContact O-N 2.76Å; L117-I120 PolarHBondContact O-N 3.32Å; D118-I120 PolarHBondContact O-N 3.49Å; I120-H122 VanDerWaalsContact C-N 3.28Å; I120-H122 PolarHBondContact O-N 3.4Å; I120-S123 VanDerWaalsContact O-CB 3.26Å; I120-S123 WeakPolarHBondContact O-CB 3.45Å; I120-S123 PolarHBondContact O-N 3.23Å; I120-S123 PolarHBondContact O-OG 2.95Å; I120-Y126 HydrophobicContact CG2-CD2 4.49Å; I120-Y126 WeakPolarHBondContact O-CB 3.29Å |
| 121 | T | 70.9 | Confident | 73.3 | Confident | 41 Ų | 41 | 89.9 Ų | 89.9 | 25% | 0.252 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -32.3 | 179.3 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | L117 D118 Y126 | L117-T121 HydrophobicContact CD1-CG2 4.36Å; L117-T121 HydrophobicContact CG-CG2 4.25Å; L117-T121 VanDerWaalsContact O-CB 3.3Å; L117-T121 WeakPolarHBondContact O-CB 3.46Å; L117-T121 WeakPolarHBondContact O-CG2 3.18Å; L117-T121 PolarHBondContact O-N 3.29Å; L117-T121 PolarHBondContact O-OG1 3.01Å; D118-T121 WeakPolarHBondContact CA-OG1 3.21Å; D118-T121 PolarHBondContact O-N 3.44Å; D118-T121 PolarHBondContact O-OG1 2.92Å; T121-Y126 HydrophobicContact CG2-CE1 4.32Å; T121-Y126 VanDerWaalsContact O-CD1 3.3Å; T121-Y126 WeakPolarHBondContact O-CD1 3.21Å |
| 122 | H | 70.2 | Confident | 73.2 | Confident | 130 Ų | 130 | 89.6 Ų | 89.6 | 60% | 0.602 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -84.2 | -11.3 | 173.2 | -68.3 | 79 | 0 | 0 | 0 | 113.3 | D118 I120 | D118-H122 WeakPolarHBondContact O-CB 3.27Å; D118-H122 PolarHBondContact O-N 3.46Å; D118-H122 PolarHBondContact O-ND1 2.77Å; I120-H122 VanDerWaalsContact C-N 3.28Å; I120-H122 PolarHBondContact O-N 3.4Å |
| 123 | S | 74.7 | Confident | 73.7 | Confident | 37 Ų | 37 | 92.4 Ų | 92.4 | 26% | 0.259 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -67.4 | 145.3 | 179.6 | 80.3 | 0 | 0 | 0 | 0 | 112.2 | D119 I120 A125 Y126 K127 | D119-S123 WeakPolarHBondContact O-CB 3.44Å; D119-S123 PolarHBondContact O-N 2.89Å; I120-S123 VanDerWaalsContact O-CB 3.26Å; I120-S123 WeakPolarHBondContact O-CB 3.45Å; I120-S123 PolarHBondContact O-N 3.23Å; I120-S123 PolarHBondContact O-OG 2.95Å; S123-A125 PolarHBondContact O-N 3.27Å; S123-Y126 PolarHBondContact O-N 2.94Å; S123-Y126 VanDerWaalsContact O-N 3.13Å; S123-Y126 PolarHBondContact OG-N 3.31Å; S123-K127 PolarHBondContact O-N 2.95Å |
| 124 | E | 72.9 | Confident | 74.2 | Confident | 141 Ų | 141 | 93.1 Ų | 93.1 | 66% | 0.659 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.6 | -28.2 | 174.6 | -66.2 | -62.1 | 128.5 | 0 | 0 | 112.2 | K128 | E124-K128 WeakPolarHBondContact O-CB 3.38Å; E124-K128 PolarHBondContact O-N 3.35Å |
| 125 | A | 73.8 | Confident | 74.8 | Confident | 67 Ų | 67 | 95.4 Ų | 95.4 | 55% | 0.554 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.9 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S123 T129 | S123-A125 PolarHBondContact O-N 3.27Å; A125-T129 VanDerWaalsContact O-CB 3.32Å; A125-T129 WeakPolarHBondContact O-CB 3.44Å; A125-T129 PolarHBondContact O-N 3.47Å; A125-T129 PolarHBondContact O-OG1 2.88Å |
| 126 | Y | 73.9 | Confident | 74.9 | Confident | 102 Ų | 102 | 95.1 Ų | 95.1 | 40% | 0.4 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69 | -45.8 | 175 | -178.8 | -93.4 | 0 | 0 | 0 | 111.2 | I120 T121 S123 K128 T129 Q130 | I120-Y126 HydrophobicContact CG2-CD2 4.49Å; I120-Y126 WeakPolarHBondContact O-CB 3.29Å; T121-Y126 HydrophobicContact CG2-CE1 4.32Å; T121-Y126 VanDerWaalsContact O-CD1 3.3Å; T121-Y126 WeakPolarHBondContact O-CD1 3.21Å; S123-Y126 PolarHBondContact O-N 2.94Å; S123-Y126 VanDerWaalsContact O-N 3.13Å; S123-Y126 PolarHBondContact OG-N 3.31Å; Y126-K128 PolarHBondContact O-N 2.91Å; Y126-T129 CarbonylContact O-C 3.56Å; Y126-T129 PolarHBondContact O-N 2.9Å; Y126-T129 VanDerWaalsContact O-N 3.15Å; Y126-Q130 HydrophobicContact CE1-CB 4.4Å; Y126-Q130 VanDerWaalsContact O-CB 3.29Å; Y126-Q130 WeakPolarHBondContact O-CB 3.45Å; Y126-Q130 PolarHBondContact O-N 3.26Å |
| 127 | K | 78.8 | Confident | 75.2 | Confident | 103 Ų | 103 | 92.7 Ų | 92.7 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.2 | -48.7 | 174.9 | -79.4 | -177.4 | 176.2 | 170.4 | 0 | 112.1 | S123 T129 Q130 E131 | S123-K127 PolarHBondContact O-N 2.95Å; K127-T129 VanDerWaalsContact C-N 3.29Å; K127-T129 PolarHBondContact O-N 3.19Å; K127-Q130 PolarHBondContact O-N 3.44Å; K127-E131 VanDerWaalsContact O-CB 3.24Å; K127-E131 WeakPolarHBondContact O-CB 3.44Å; K127-E131 PolarHBondContact O-N 3.12Å |
| 128 | K | 80.8 | Confident | 75.7 | Confident | 146 Ų | 146 | 95.1 Ų | 95.1 | 64% | 0.635 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.8 | -34.9 | 178.4 | -168.7 | 173.4 | -174.8 | -177.3 | 0 | 112.3 | E124 Y126 T132 | E124-K128 WeakPolarHBondContact O-CB 3.38Å; E124-K128 PolarHBondContact O-N 3.35Å; Y126-K128 PolarHBondContact O-N 2.91Å; K128-T132 VanDerWaalsContact O-CB 3.27Å; K128-T132 WeakPolarHBondContact O-CB 3.36Å; K128-T132 PolarHBondContact O-N 2.75Å; K128-T132 PolarHBondContact O-OG1 3.18Å |
| 129 | T | 78.6 | Confident | 75.9 | Confident | 89 Ų | 89 | 96.8 Ų | 96.8 | 55% | 0.546 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -73.1 | -40.7 | 175 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | A125 Y126 K127 E131 T132 L133 | A125-T129 VanDerWaalsContact O-CB 3.32Å; A125-T129 WeakPolarHBondContact O-CB 3.44Å; A125-T129 PolarHBondContact O-N 3.47Å; A125-T129 PolarHBondContact O-OG1 2.88Å; Y126-T129 CarbonylContact O-C 3.56Å; Y126-T129 PolarHBondContact O-N 2.9Å; Y126-T129 VanDerWaalsContact O-N 3.15Å; K127-T129 VanDerWaalsContact C-N 3.29Å; K127-T129 PolarHBondContact O-N 3.19Å; T129-E131 VanDerWaalsContact C-N 3.34Å; T129-T132 PolarHBondContact O-N 3.13Å; T129-L133 WeakPolarHBondContact O-CB 3.39Å; T129-L133 PolarHBondContact O-N 2.77Å |
| 130 | Q | 79.6 | Confident | 75.8 | Confident | 99 Ų | 99 | 95 Ų | 95 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 175.2 | -179.7 | -177.9 | -0.3 | 0 | 0 | 111 | Y126 K127 S134 | Y126-Q130 HydrophobicContact CE1-CB 4.4Å; Y126-Q130 VanDerWaalsContact O-CB 3.29Å; Y126-Q130 WeakPolarHBondContact O-CB 3.45Å; Y126-Q130 PolarHBondContact O-N 3.26Å; K127-Q130 PolarHBondContact O-N 3.44Å; Q130-S134 WeakPolarHBondContact O-CB 3.34Å; Q130-S134 PolarHBondContact O-N 3.32Å; Q130-S134 PolarHBondContact O-OG 2.85Å |
| 131 | E | 79.1 | Confident | 76 | Confident | 135 Ų | 135 | 94.2 Ų | 94.2 | 63% | 0.631 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.6 | -48.4 | 174.7 | -171.4 | 176.8 | -172.5 | 0 | 0 | 110.3 | K127 T129 L133 S134 E135 | K127-E131 VanDerWaalsContact O-CB 3.24Å; K127-E131 WeakPolarHBondContact O-CB 3.44Å; K127-E131 PolarHBondContact O-N 3.12Å; T129-E131 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 2.97Å; E131-S134 PolarHBondContact O-N 3.35Å; E131-E135 VanDerWaalsContact O-CB 3.31Å; E131-E135 WeakPolarHBondContact O-CB 3.47Å; E131-E135 PolarHBondContact O-N 3.38Å |
| 132 | T | 77.3 | Confident | 76 | Confident | 84 Ų | 84 | 95 Ų | 95 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 176.2 | -57.3 | 0 | 0 | 0 | 0 | 112 | K128 T129 E135 A136 | K128-T132 VanDerWaalsContact O-CB 3.27Å; K128-T132 WeakPolarHBondContact O-CB 3.36Å; K128-T132 PolarHBondContact O-N 2.75Å; K128-T132 PolarHBondContact O-OG1 3.18Å; T129-T132 PolarHBondContact O-N 3.13Å; T132-E135 PolarHBondContact O-N 2.73Å; T132-A136 WeakPolarHBondContact O-CB 3.46Å; T132-A136 PolarHBondContact O-N 2.99Å |
| 133 | L | 81.6 | Confident | 75.7 | Confident | 123 Ų | 123 | 91 Ų | 91 | 64% | 0.644 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.8 | -36.8 | 177.8 | -178.6 | 66.5 | 0 | 0 | 0 | 111.5 | T129 E131 G137 | T129-L133 WeakPolarHBondContact O-CB 3.39Å; T129-L133 PolarHBondContact O-N 2.77Å; E131-L133 PolarHBondContact O-N 2.97Å; L133-G137 WeakPolarHBondContact O-CA 3.11Å; L133-G137 PolarHBondContact O-N 2.74Å |
| 134 | S | 82.6 | Confident | 75.4 | Confident | 66 Ų | 66 | 94.8 Ų | 94.8 | 46% | 0.462 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 173.9 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | Q130 E131 G137 Q138 | Q130-S134 WeakPolarHBondContact O-CB 3.34Å; Q130-S134 PolarHBondContact O-N 3.32Å; Q130-S134 PolarHBondContact O-OG 2.85Å; E131-S134 PolarHBondContact O-N 3.35Å; S134-G137 PolarHBondContact O-N 3.07Å; S134-Q138 WeakPolarHBondContact O-CB 3.16Å; S134-Q138 WeakPolarHBondContact O-CG 3.39Å; S134-Q138 PolarHBondContact O-N 3.19Å |
| 135 | E | 77.3 | Confident | 75.2 | Confident | 101 Ų | 101 | 93.6 Ų | 93.6 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -46.8 | 178.4 | -163.6 | -171.8 | 159.3 | 0 | 0 | 111.4 | E131 T132 G137 Q138 K139 | E131-E135 VanDerWaalsContact O-CB 3.31Å; E131-E135 WeakPolarHBondContact O-CB 3.47Å; E131-E135 PolarHBondContact O-N 3.38Å; T132-E135 PolarHBondContact O-N 2.73Å; E135-G137 VanDerWaalsContact C-N 3.31Å; E135-G137 PolarHBondContact O-N 3.46Å; E135-Q138 PolarHBondContact O-N 3.32Å; E135-K139 WeakPolarHBondContact O-CB 2.95Å; E135-K139 VanDerWaalsContact O-CG 3.27Å; E135-K139 WeakPolarHBondContact O-CG 3.03Å; E135-K139 PolarHBondContact O-N 2.74Å; E135-K139 WeakPolarHBondContact OE1-CE 3.27Å; E135-K139 IonicContact OE1-NZ 3.47Å; E135-K139 PolarHBondContact OE1-NZ 3.48Å |
| 136 | A | 72.4 | Confident | 75.2 | Confident | 47 Ų | 47 | 94.9 Ų | 94.9 | 39% | 0.388 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -36 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T132 K139 T140 | T132-A136 WeakPolarHBondContact O-CB 3.46Å; T132-A136 PolarHBondContact O-N 2.99Å; A136-K139 PolarHBondContact O-N 3.34Å; A136-T140 VanDerWaalsContact O-CB 3.26Å; A136-T140 WeakPolarHBondContact O-CB 3.5Å; A136-T140 PolarHBondContact O-N 2.75Å; A136-T140 PolarHBondContact O-OG1 3.49Å |
| 137 | G | 75.9 | Confident | 74.5 | Confident | 25 Ų | 25 | 95.1 Ų | 95.1 | 26% | 0.258 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69 | -38.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | L133 S134 E135 S141 | L133-G137 WeakPolarHBondContact O-CA 3.11Å; L133-G137 PolarHBondContact O-N 2.74Å; S134-G137 PolarHBondContact O-N 3.07Å; E135-G137 VanDerWaalsContact C-N 3.31Å; E135-G137 PolarHBondContact O-N 3.46Å; G137-S141 WeakPolarHBondContact O-CA 3.08Å; G137-S141 WeakPolarHBondContact O-CB 3.43Å; G137-S141 PolarHBondContact O-N 3.44Å; G137-S141 PolarHBondContact O-OG 3.18Å |
| 138 | Q | 79.3 | Confident | 74.3 | Confident | 151 Ų | 151 | 91.6 Ų | 91.6 | 71% | 0.706 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69 | -42.7 | 172 | -77.1 | -161.5 | -8.3 | 0 | 0 | 111.6 | S134 E135 T140 S141 A142 | S134-Q138 WeakPolarHBondContact O-CB 3.16Å; S134-Q138 WeakPolarHBondContact O-CG 3.39Å; S134-Q138 PolarHBondContact O-N 3.19Å; E135-Q138 PolarHBondContact O-N 3.32Å; Q138-T140 VanDerWaalsContact C-N 3.31Å; Q138-T140 PolarHBondContact O-N 2.82Å; Q138-S141 PolarHBondContact O-N 2.88Å; Q138-A142 WeakPolarHBondContact O-CB 3.48Å; Q138-A142 PolarHBondContact O-N 2.84Å |
| 139 | K | 76.8 | Confident | 74 | Confident | 132 Ų | 132 | 88.5 Ų | 88.5 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -39.7 | 175 | -70.4 | 172 | -172.6 | 170.5 | 0 | 111.7 | E135 A136 A143 | E135-K139 WeakPolarHBondContact O-CB 2.95Å; E135-K139 VanDerWaalsContact O-CG 3.27Å; E135-K139 WeakPolarHBondContact O-CG 3.03Å; E135-K139 PolarHBondContact O-N 2.74Å; E135-K139 WeakPolarHBondContact OE1-CE 3.27Å; E135-K139 IonicContact OE1-NZ 3.47Å; E135-K139 PolarHBondContact OE1-NZ 3.48Å; A136-K139 PolarHBondContact O-N 3.34Å; K139-A143 PolarHBondContact O-N 2.67Å |
| 140 | T | 69.3 | Low | 73.9 | Confident | 84 Ų | 84 | 86.7 Ų | 86.7 | 52% | 0.515 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75 | -38 | 176.2 | -54.8 | 0 | 0 | 0 | 0 | 112 | A136 Q138 A142 A143 L144 | A136-T140 VanDerWaalsContact O-CB 3.26Å; A136-T140 WeakPolarHBondContact O-CB 3.5Å; A136-T140 PolarHBondContact O-N 2.75Å; A136-T140 PolarHBondContact O-OG1 3.49Å; Q138-T140 VanDerWaalsContact C-N 3.31Å; Q138-T140 PolarHBondContact O-N 2.82Å; T140-A142 VanDerWaalsContact C-N 3.31Å; T140-A142 PolarHBondContact O-N 2.93Å; T140-A143 CarbonylContact O-C 3.51Å; T140-A143 WeakPolarHBondContact O-CA 3.38Å; T140-A143 WeakPolarHBondContact O-CB 3.26Å; T140-A143 PolarHBondContact O-N 3.09Å; T140-A143 VanDerWaalsContact O-N 3.11Å; T140-L144 WeakPolarHBondContact O-CB 3.34Å; T140-L144 PolarHBondContact O-N 3.07Å |
| 141 | S | 70.9 | Confident | 73.7 | Confident | 75 Ų | 75 | 87.4 Ų | 87.4 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -37.9 | 175.7 | -65.2 | 0 | 0 | 0 | 0 | 111.2 | G137 Q138 A143 L144 N145 | G137-S141 WeakPolarHBondContact O-CA 3.08Å; G137-S141 WeakPolarHBondContact O-CB 3.43Å; G137-S141 PolarHBondContact O-N 3.44Å; G137-S141 PolarHBondContact O-OG 3.18Å; Q138-S141 PolarHBondContact O-N 2.88Å; S141-A143 VanDerWaalsContact C-N 3.34Å; S141-L144 PolarHBondContact O-N 3.2Å; S141-N145 WeakPolarHBondContact O-CB 3.4Å; S141-N145 PolarHBondContact O-N 2.59Å |
| 142 | A | 70.3 | Confident | 73.6 | Confident | 58 Ų | 58 | 84.8 Ų | 84.8 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q138 T140 T146 | Q138-A142 WeakPolarHBondContact O-CB 3.48Å; Q138-A142 PolarHBondContact O-N 2.84Å; T140-A142 VanDerWaalsContact C-N 3.31Å; T140-A142 PolarHBondContact O-N 2.93Å; A142-T146 WeakPolarHBondContact O-CB 3.18Å; A142-T146 PolarHBondContact O-N 2.85Å; A142-T146 VanDerWaalsContact O-N 3.07Å; A142-T146 PolarHBondContact O-OG1 3.21Å |
| 143 | A | 64.8 | Low | 73.7 | Confident | 47 Ų | 47 | 90 Ų | 90 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -39.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K139 T140 S141 T146 L147 | K139-A143 PolarHBondContact O-N 2.67Å; T140-A143 CarbonylContact O-C 3.51Å; T140-A143 WeakPolarHBondContact O-CA 3.38Å; T140-A143 WeakPolarHBondContact O-CB 3.26Å; T140-A143 PolarHBondContact O-N 3.09Å; T140-A143 VanDerWaalsContact O-N 3.11Å; S141-A143 VanDerWaalsContact C-N 3.34Å; A143-T146 CarbonylContact O-C 3.57Å; A143-T146 WeakPolarHBondContact O-CB 3.17Å; A143-T146 PolarHBondContact O-N 2.89Å; A143-L147 WeakPolarHBondContact O-CG 3.13Å; A143-L147 PolarHBondContact O-N 3.33Å |
| 144 | L | 68.1 | Low | 73.7 | Confident | 116 Ų | 116 | 93.1 Ų | 93.1 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 176.7 | -115.1 | 168 | 0 | 0 | 0 | 111.7 | T140 S141 T146 L147 G148 | T140-L144 WeakPolarHBondContact O-CB 3.34Å; T140-L144 PolarHBondContact O-N 3.07Å; S141-L144 PolarHBondContact O-N 3.2Å; L144-T146 VanDerWaalsContact C-N 3.27Å; L144-T146 PolarHBondContact O-N 3.46Å; L144-L147 PolarHBondContact O-N 3.44Å; L144-G148 PolarHBondContact O-N 3.11Å |
| 145 | N | 69.2 | Low | 73.7 | Confident | 116 Ų | 116 | 94.7 Ų | 94.7 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.9 | -34.6 | 173.7 | -158.2 | 28.6 | 0 | 0 | 0 | 111.2 | S141 T149 | S141-N145 WeakPolarHBondContact O-CB 3.4Å; S141-N145 PolarHBondContact O-N 2.59Å; N145-T149 WeakPolarHBondContact O-CB 3.29Å; N145-T149 WeakPolarHBondContact O-CG2 3.3Å; N145-T149 PolarHBondContact O-N 2.73Å; N145-T149 PolarHBondContact O-OG1 2.74Å |
| 146 | T | 72.2 | Confident | 73.9 | Confident | 93 Ų | 93 | 91.8 Ų | 91.8 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.3 | -39.6 | 173.9 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | A142 A143 L144 T149 A150 | A142-T146 WeakPolarHBondContact O-CB 3.18Å; A142-T146 PolarHBondContact O-N 2.85Å; A142-T146 VanDerWaalsContact O-N 3.07Å; A142-T146 PolarHBondContact O-OG1 3.21Å; A143-T146 CarbonylContact O-C 3.57Å; A143-T146 WeakPolarHBondContact O-CB 3.17Å; A143-T146 PolarHBondContact O-N 2.89Å; L144-T146 VanDerWaalsContact C-N 3.27Å; L144-T146 PolarHBondContact O-N 3.46Å; T146-T149 WeakPolarHBondContact CA-OG1 3.33Å; T146-T149 PolarHBondContact O-OG1 2.8Å; T146-A150 WeakPolarHBondContact O-CB 3.3Å; T146-A150 PolarHBondContact O-N 3.05Å; T146-A150 VanDerWaalsContact O-N 3.12Å |
| 147 | L | 60.3 | Low | 74.3 | Confident | 108 Ų | 108 | 94 Ų | 94 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -74.6 | -36.7 | 175.4 | -68 | 174.7 | 0 | 0 | 0 | 112.1 | A143 L144 A150 I151 | A143-L147 WeakPolarHBondContact O-CG 3.13Å; A143-L147 PolarHBondContact O-N 3.33Å; L144-L147 PolarHBondContact O-N 3.44Å; L147-A150 PolarHBondContact O-N 3.43Å; L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.13Å; L147-I151 PolarHBondContact O-N 3.46Å |
| 148 | G | 74.9 | Confident | 74.4 | Confident | 29 Ų | 29 | 98.4 Ų | 98.4 | 30% | 0.299 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.4 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L144 S152 | L144-G148 PolarHBondContact O-N 3.11Å; G148-S152 VanDerWaalsContact O-CB 3.26Å; G148-S152 WeakPolarHBondContact O-CB 3.49Å; G148-S152 PolarHBondContact O-N 2.78Å; G148-S152 PolarHBondContact O-OG 3.4Å |
| 149 | T | 73.4 | Confident | 74.2 | Confident | 81 Ų | 81 | 99.6 Ų | 99.6 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 170.7 | 44.2 | 0 | 0 | 0 | 0 | 111.8 | N145 T146 S152 R153 | N145-T149 WeakPolarHBondContact O-CB 3.29Å; N145-T149 WeakPolarHBondContact O-CG2 3.3Å; N145-T149 PolarHBondContact O-N 2.73Å; N145-T149 PolarHBondContact O-OG1 2.74Å; T146-T149 WeakPolarHBondContact CA-OG1 3.33Å; T146-T149 PolarHBondContact O-OG1 2.8Å; T149-S152 PolarHBondContact O-N 2.69Å; T149-R153 WeakPolarHBondContact O-CB 3.3Å; T149-R153 PolarHBondContact O-N 2.79Å |
| 150 | A | 75.9 | Confident | 74.3 | Confident | 50 Ų | 50 | 98.4 Ų | 98.4 | 41% | 0.413 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T146 L147 R153 R154 | T146-A150 WeakPolarHBondContact O-CB 3.3Å; T146-A150 PolarHBondContact O-N 3.05Å; T146-A150 VanDerWaalsContact O-N 3.12Å; L147-A150 PolarHBondContact O-N 3.43Å; A150-R153 PolarHBondContact O-N 2.78Å; A150-R154 VanDerWaalsContact O-CG 3.27Å; A150-R154 WeakPolarHBondContact O-CG 3.18Å; A150-R154 PolarHBondContact O-N 2.8Å |
| 151 | I | 76.4 | Confident | 74.9 | Confident | 115 Ų | 115 | 95.7 Ų | 95.7 | 59% | 0.59 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.8 | -44.2 | 176.8 | -67.2 | 164 | 0 | 0 | 0 | 110.9 | L147 R153 R154 L155 | L147-I151 VanDerWaalsContact O-CG1 3.29Å; L147-I151 WeakPolarHBondContact O-CG1 3.13Å; L147-I151 PolarHBondContact O-N 3.46Å; I151-R153 VanDerWaalsContact C-N 3.25Å; I151-R153 PolarHBondContact O-N 3.28Å; I151-R154 PolarHBondContact O-N 2.77Å; I151-L155 WeakPolarHBondContact O-CB 3.3Å; I151-L155 PolarHBondContact O-N 3.41Å |
| 152 | S | 76.4 | Confident | 75.2 | Confident | 80 Ų | 80 | 97.1 Ų | 97.1 | 56% | 0.559 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.1 | -37.8 | 177 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | G148 T149 L155 G156 | G148-S152 VanDerWaalsContact O-CB 3.26Å; G148-S152 WeakPolarHBondContact O-CB 3.49Å; G148-S152 PolarHBondContact O-N 2.78Å; G148-S152 PolarHBondContact O-OG 3.4Å; T149-S152 PolarHBondContact O-N 2.69Å; S152-L155 PolarHBondContact O-N 3.49Å; S152-G156 PolarHBondContact O-N 3.36Å |
| 153 | R | 80.8 | Confident | 75.5 | Confident | 194 Ų | 194 | 99.9 Ų | 99.9 | 73% | 0.732 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.6 | -45.7 | 175 | -155.4 | 170.7 | -161.5 | 160.8 | 3.7 | 111.4 | T149 A150 I151 L155 G156 D157 | T149-R153 WeakPolarHBondContact O-CB 3.3Å; T149-R153 PolarHBondContact O-N 2.79Å; A150-R153 PolarHBondContact O-N 2.78Å; I151-R153 VanDerWaalsContact C-N 3.25Å; I151-R153 PolarHBondContact O-N 3.28Å; R153-L155 VanDerWaalsContact C-N 3.35Å; R153-L155 PolarHBondContact O-N 2.9Å; R153-G156 PolarHBondContact O-N 2.77Å; R153-D157 WeakPolarHBondContact O-CB 3.4Å; R153-D157 VanDerWaalsContact O-CG 3.23Å; R153-D157 PolarHBondContact O-N 3.43Å |
| 154 | R | 81.1 | Confident | 76.1 | Confident | 187 Ų | 187 | 101.4 Ų | 101.4 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.1 | -38.7 | 174.8 | -71.2 | -65.7 | -171.5 | -154.1 | 3.2 | 112.9 | A150 I151 M158 | A150-R154 VanDerWaalsContact O-CG 3.27Å; A150-R154 WeakPolarHBondContact O-CG 3.18Å; A150-R154 PolarHBondContact O-N 2.8Å; I151-R154 PolarHBondContact O-N 2.77Å; R154-M158 VanDerWaalsContact O-CB 3.29Å; R154-M158 WeakPolarHBondContact O-CB 3.27Å; R154-M158 PolarHBondContact O-N 3.33Å |
| 155 | L | 81.6 | Confident | 76.7 | Confident | 99 Ų | 99 | 100.3 Ų | 100.3 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 177.4 | -175.9 | 59.5 | 0 | 0 | 0 | 111.6 | I151 S152 R153 M158 R159 | I151-L155 WeakPolarHBondContact O-CB 3.3Å; I151-L155 PolarHBondContact O-N 3.41Å; S152-L155 PolarHBondContact O-N 3.49Å; R153-L155 VanDerWaalsContact C-N 3.35Å; R153-L155 PolarHBondContact O-N 2.9Å; L155-M158 HydrophobicContact CD1-CE 3.76Å; L155-M158 PolarHBondContact O-N 2.85Å; L155-R159 WeakPolarHBondContact O-CB 3.5Å; L155-R159 PolarHBondContact O-N 3.36Å |
| 156 | G | 81.4 | Confident | 77.1 | Confident | 41 Ų | 41 | 98.3 Ų | 98.3 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S152 R153 M158 R159 N160 | S152-G156 PolarHBondContact O-N 3.36Å; R153-G156 PolarHBondContact O-N 2.77Å; G156-M158 VanDerWaalsContact C-N 3.33Å; G156-M158 PolarHBondContact O-N 2.93Å; G156-R159 PolarHBondContact O-N 2.8Å; G156-N160 WeakPolarHBondContact O-CB 3.48Å; G156-N160 PolarHBondContact O-N 2.86Å |
| 157 | D | 81.6 | Confident | 77.2 | Confident | 94 Ų | 94 | 100.2 Ų | 100.2 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 176.4 | -69.7 | -18.3 | 0 | 0 | 0 | 111.8 | R153 N160 S161 | R153-D157 WeakPolarHBondContact O-CB 3.4Å; R153-D157 VanDerWaalsContact O-CG 3.23Å; R153-D157 PolarHBondContact O-N 3.43Å; D157-N160 CarbonylContact O-C 3.57Å; D157-N160 PolarHBondContact O-N 2.86Å; D157-S161 PolarHBondContact O-N 3.44Å |
| 158 | M | 77.1 | Confident | 78 | Confident | 116 Ų | 116 | 100.4 Ų | 100.4 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68 | -38.2 | 178.6 | -169.1 | 174.1 | 73.5 | 0 | 0 | 112.2 | R154 L155 G156 S161 F164 | R154-M158 VanDerWaalsContact O-CB 3.29Å; R154-M158 WeakPolarHBondContact O-CB 3.27Å; R154-M158 PolarHBondContact O-N 3.33Å; L155-M158 HydrophobicContact CD1-CE 3.76Å; L155-M158 PolarHBondContact O-N 2.85Å; G156-M158 VanDerWaalsContact C-N 3.33Å; G156-M158 PolarHBondContact O-N 2.93Å; M158-S161 WeakPolarHBondContact O-CB 3.16Å; M158-S161 PolarHBondContact O-N 3.03Å; M158-S161 PolarHBondContact O-OG 2.8Å; M158-F164 VanDerWaalsContact O-CB 3.3Å; M158-F164 WeakPolarHBondContact O-CB 3.31Å |
| 159 | R | 75.9 | Confident | 77.9 | Confident | 177 Ų | 177 | 103.9 Ų | 103.9 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -72.6 | -30.6 | 177.5 | -157.2 | 174.6 | -179.2 | 158.1 | -0.3 | 112.3 | L155 G156 S161 F164 | L155-R159 WeakPolarHBondContact O-CB 3.5Å; L155-R159 PolarHBondContact O-N 3.36Å; G156-R159 PolarHBondContact O-N 2.8Å; R159-S161 VanDerWaalsContact C-N 3.26Å; R159-F164 HydrophobicContact CG-CD1 3.98Å; R159-F164 HydrophobicContact CG-CE1 3.74Å; R159-F164 HydrophobicContact CG-CZ 4.38Å; R159-F164 WeakPolarHBondContact O-CD1 3.24Å |
| 160 | N | 77.9 | Confident | 77.9 | Confident | 106 Ų | 106 | 108 Ų | 108 | 57% | 0.567 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.7 | 172.6 | -159.7 | 33.6 | 0 | 0 | 0 | 112.9 | G156 D157 K165 | G156-N160 WeakPolarHBondContact O-CB 3.48Å; G156-N160 PolarHBondContact O-N 2.86Å; D157-N160 CarbonylContact O-C 3.57Å; D157-N160 PolarHBondContact O-N 2.86Å; N160-K165 WeakPolarHBondContact OD1-CE 3.32Å; N160-K165 PolarHBondContact OD1-NZ 3.25Å |
| 161 | S | 83.5 | Confident | 77.6 | Confident | 28 Ų | 28 | 108.9 Ų | 108.9 | 20% | 0.196 | 55% | 0.547 | C | S | . | . | S | Bend | trans | -70.9 | 149.7 | -175.9 | 75.5 | 0 | 0 | 0 | 0 | 112.2 | D157 M158 R159 T163 F164 K165 | D157-S161 PolarHBondContact O-N 3.44Å; M158-S161 WeakPolarHBondContact O-CB 3.16Å; M158-S161 PolarHBondContact O-N 3.03Å; M158-S161 PolarHBondContact O-OG 2.8Å; R159-S161 VanDerWaalsContact C-N 3.26Å; S161-T163 PolarHBondContact O-N 2.83Å; S161-F164 PolarHBondContact O-N 2.82Å; S161-F164 PolarHBondContact OG-N 3.48Å; S161-K165 PolarHBondContact O-N 3.39Å |
| 162 | P | 75.6 | Confident | 77 | Confident | 104 Ų | 104 | 105.5 Ų | 105.5 | 68% | 0.675 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -56.7 | -34.1 | 177.5 | -24.3 | 33.4 | 0 | 0 | 0 | 113 | S166 | P162-S166 VanDerWaalsContact O-CB 3.28Å; P162-S166 WeakPolarHBondContact O-CB 2.94Å; P162-S166 PolarHBondContact O-N 3.38Å; P162-S166 PolarHBondContact O-OG 3Å |
| 163 | T | 76.9 | Confident | 76.2 | Confident | 116 Ų | 116 | 106.8 Ų | 106.8 | 71% | 0.712 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.3 | -42 | -178.6 | -45.1 | 0 | 0 | 0 | 0 | 112.2 | S161 F167 | S161-T163 PolarHBondContact O-N 2.83Å; T163-F167 PolarHBondContact O-N 3.15Å; T163-F167 VanDerWaalsContact O-N 3.17Å |
| 164 | F | 78.1 | Confident | 75 | Confident | 79 Ų | 79 | 103.6 Ų | 103.6 | 35% | 0.346 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.5 | -42.2 | 176.5 | -172.3 | -93.7 | 0 | 0 | 0 | 111.4 | M158 R159 S161 S166 F167 E168 | M158-F164 VanDerWaalsContact O-CB 3.3Å; M158-F164 WeakPolarHBondContact O-CB 3.31Å; R159-F164 HydrophobicContact CG-CD1 3.98Å; R159-F164 HydrophobicContact CG-CE1 3.74Å; R159-F164 HydrophobicContact CG-CZ 4.38Å; R159-F164 WeakPolarHBondContact O-CD1 3.24Å; S161-F164 PolarHBondContact O-N 2.82Å; S161-F164 PolarHBondContact OG-N 3.48Å; F164-S166 PolarHBondContact O-N 2.72Å; F164-F167 WeakPolarHBondContact O-CB 3.27Å; F164-F167 PolarHBondContact O-N 3.43Å; F164-F167 VanDerWaalsContact O-N 3.14Å; F164-E168 PolarHBondContact O-N 2.74Å |
| 165 | K | 80.1 | Confident | 73.6 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 40% | 0.404 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 173.3 | -71.4 | -171.6 | 179.5 | -178.6 | 0 | 112.1 | N160 S161 F167 E168 D169 | N160-K165 WeakPolarHBondContact OD1-CE 3.32Å; N160-K165 PolarHBondContact OD1-NZ 3.25Å; S161-K165 PolarHBondContact O-N 3.39Å; K165-F167 PolarHBondContact O-N 2.92Å; K165-E168 PolarHBondContact O-N 2.8Å; K165-D169 WeakPolarHBondContact O-CB 3.46Å; K165-D169 VanDerWaalsContact O-CG 3.24Å; K165-D169 PolarHBondContact O-N 3.42Å |
| 166 | S | 78.2 | Confident | 72.1 | Confident | 75 Ų | 75 | 106.3 Ų | 106.3 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.3 | -31.8 | 176.3 | -62.4 | 0 | 0 | 0 | 0 | 112.9 | P162 F164 K170 | P162-S166 VanDerWaalsContact O-CB 3.28Å; P162-S166 WeakPolarHBondContact O-CB 2.94Å; P162-S166 PolarHBondContact O-N 3.38Å; P162-S166 PolarHBondContact O-OG 3Å; F164-S166 PolarHBondContact O-N 2.72Å; S166-K170 WeakPolarHBondContact O-CB 3.14Å; S166-K170 PolarHBondContact O-N 3.04Å |
| 167 | F | 74.7 | Confident | 70.7 | Confident | 132 Ų | 132 | 112.7 Ų | 112.7 | 58% | 0.579 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -75.3 | -44.3 | 174.4 | -178.8 | -97.7 | 0 | 0 | 0 | 112 | T163 F164 K165 D169 K170 V171 | T163-F167 PolarHBondContact O-N 3.15Å; T163-F167 VanDerWaalsContact O-N 3.17Å; F164-F167 WeakPolarHBondContact O-CB 3.27Å; F164-F167 PolarHBondContact O-N 3.43Å; F164-F167 VanDerWaalsContact O-N 3.14Å; K165-F167 PolarHBondContact O-N 2.92Å; F167-D169 VanDerWaalsContact C-N 3.33Å; F167-D169 PolarHBondContact O-N 2.9Å; F167-K170 PolarHBondContact O-N 3.23Å; F167-V171 HydrophobicContact CD1-CG2 4.29Å; F167-V171 HydrophobicContact CD2-CG2 4.47Å; F167-V171 HydrophobicContact CE1-CG2 3.88Å; F167-V171 HydrophobicContact CE2-CG2 4.08Å; F167-V171 HydrophobicContact CZ-CG2 3.76Å; F167-V171 WeakPolarHBondContact O-CG2 3.26Å; F167-V171 PolarHBondContact O-N 2.65Å |
| 168 | E | 77.2 | Confident | 69.1 | Low | 112 Ų | 112 | 114.6 Ų | 114.6 | 52% | 0.523 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58 | -43.8 | 172.8 | -177.9 | 173.5 | -168.3 | 0 | 0 | 111.4 | F164 K165 K170 V171 G172 | F164-E168 PolarHBondContact O-N 2.74Å; K165-E168 PolarHBondContact O-N 2.8Å; E168-K170 VanDerWaalsContact C-N 3.33Å; E168-K170 PolarHBondContact O-N 3.13Å; E168-V171 PolarHBondContact O-N 3.03Å; E168-G172 WeakPolarHBondContact O-CA 3.4Å; E168-G172 PolarHBondContact O-N 2.72Å |
| 169 | D | 73.1 | Confident | 67.9 | Low | 102 Ų | 102 | 114.8 Ų | 114.8 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.6 | -37.6 | 176.7 | -70.6 | -30.2 | 0 | 0 | 0 | 111.7 | K165 F167 N173 | K165-D169 WeakPolarHBondContact O-CB 3.46Å; K165-D169 VanDerWaalsContact O-CG 3.24Å; K165-D169 PolarHBondContact O-N 3.42Å; F167-D169 VanDerWaalsContact C-N 3.33Å; F167-D169 PolarHBondContact O-N 2.9Å; D169-N173 VanDerWaalsContact O-CB 3.26Å; D169-N173 WeakPolarHBondContact O-CB 3.28Å; D169-N173 PolarHBondContact O-N 2.95Å; D169-N173 PolarHBondContact O-ND2 3.39Å |
| 170 | K | 72.6 | Confident | 66 | Low | 169 Ų | 169 | 109 Ų | 109 | 74% | 0.735 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.6 | -40.3 | 176.1 | -109.6 | -174.5 | 176.6 | -157 | 0 | 112.8 | S166 F167 E168 | S166-K170 WeakPolarHBondContact O-CB 3.14Å; S166-K170 PolarHBondContact O-N 3.04Å; F167-K170 PolarHBondContact O-N 3.23Å; E168-K170 VanDerWaalsContact C-N 3.33Å; E168-K170 PolarHBondContact O-N 3.13Å |
| 171 | V | 69.6 | Low | 64.8 | Low | 68 Ų | 68 | 110.5 Ų | 110.5 | 41% | 0.412 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -82.4 | -34 | -178.9 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | F167 E168 L174 | F167-V171 HydrophobicContact CD1-CG2 4.29Å; F167-V171 HydrophobicContact CD2-CG2 4.47Å; F167-V171 HydrophobicContact CE1-CG2 3.88Å; F167-V171 HydrophobicContact CE2-CG2 4.08Å; F167-V171 HydrophobicContact CZ-CG2 3.76Å; F167-V171 WeakPolarHBondContact O-CG2 3.26Å; F167-V171 PolarHBondContact O-N 2.65Å; E168-V171 PolarHBondContact O-N 3.03Å; V171-L174 WeakPolarHBondContact O-CB 3.35Å; V171-L174 PolarHBondContact O-N 3.01Å |
| 172 | G | 62.8 | Low | 62.8 | Low | 43 Ų | 43 | 121.1 Ų | 121.1 | 44% | 0.443 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63.1 | -42.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E168 L174 K175 H176 | E168-G172 WeakPolarHBondContact O-CA 3.4Å; E168-G172 PolarHBondContact O-N 2.72Å; G172-L174 PolarHBondContact O-N 2.8Å; G172-K175 PolarHBondContact O-N 3.45Å; G172-K175 VanDerWaalsContact O-N 3.13Å; G172-H176 PolarHBondContact O-N 3.43Å |
| 173 | N | 61.1 | Low | 61 | Low | 108 Ų | 108 | 119.6 Ų | 119.6 | 58% | 0.578 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64 | -19.3 | 171.3 | -84.8 | -53.1 | 0 | 0 | 0 | 113.8 | D169 H176 K177 | D169-N173 VanDerWaalsContact O-CB 3.26Å; D169-N173 WeakPolarHBondContact O-CB 3.28Å; D169-N173 PolarHBondContact O-N 2.95Å; D169-N173 PolarHBondContact O-ND2 3.39Å; N173-H176 PolarHBondContact O-N 2.66Å; N173-K177 WeakPolarHBondContact O-CB 3.11Å; N173-K177 PolarHBondContact O-N 2.68Å |
| 174 | L | 54.6 | Low | 59.3 | Low | 127 Ų | 127 | 122.4 Ų | 122.4 | 67% | 0.665 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.6 | -31.7 | 174.7 | -154 | 71.1 | 0 | 0 | 0 | 111.9 | V171 G172 H176 K177 | V171-L174 WeakPolarHBondContact O-CB 3.35Å; V171-L174 PolarHBondContact O-N 3.01Å; G172-L174 PolarHBondContact O-N 2.8Å; L174-H176 VanDerWaalsContact C-N 3.31Å; L174-K177 PolarHBondContact O-N 3.18Å |
| 175 | K | 52.1 | Low | 57.3 | Low | 186 Ų | 186 | 121.7 Ų | 121.7 | 81% | 0.809 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.8 | -27.1 | 172.5 | -64.1 | -157.4 | -179.2 | -159 | 0 | 112.7 | G172 K177 | G172-K175 PolarHBondContact O-N 3.45Å; G172-K175 VanDerWaalsContact O-N 3.13Å; K175-K177 VanDerWaalsContact C-N 3.34Å |
| 176 | H | 50.5 | Low | 55.2 | Low | 156 Ų | 156 | 124.7 Ų | 124.7 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -1.7 | 178.1 | -140.1 | -67.7 | 0 | 0 | 0 | 113.9 | G172 N173 L174 | G172-H176 PolarHBondContact O-N 3.43Å; N173-H176 PolarHBondContact O-N 2.66Å; L174-H176 VanDerWaalsContact C-N 3.31Å |
| 177 | K | 50.8 | Low | 53.7 | Low | 175 Ų | 175 | 125.8 Ų | 125.8 | 76% | 0.761 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 16.3 | -176.2 | -153.2 | 163.4 | 171.9 | 176.6 | 0 | 114.4 | N173 L174 K175 | N173-K177 WeakPolarHBondContact O-CB 3.11Å; N173-K177 PolarHBondContact O-N 2.68Å; L174-K177 PolarHBondContact O-N 3.18Å; K175-K177 VanDerWaalsContact C-N 3.34Å |
| 178 | V | 49.1 | Very low | 51.9 | Low | 134 Ų | 134 | 125.8 Ų | 125.8 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -105.7 | 32.8 | 157.3 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 179 | V | 50.8 | Low | 50 | Low | 120 Ų | 120 | 125.4 Ų | 125.4 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -120.6 | 91.9 | 155.5 | 171.6 | 0 | 0 | 0 | 0 | 105.4 | ||
| 180 | G | 37.7 | Very low | 48.2 | Very low | 56 Ų | 56 | 126.1 Ų | 126.1 | 58% | 0.577 | 73% | 0.734 | S | S | * | * | trans | -66.1 | 153.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R182 | G180-R182 PolarHBondContact O-N 3.46Š| ||
| 181 | P | 51.4 | Low | 47.1 | Very low | 137 Ų | 137 | 123.4 Ų | 123.4 | 89% | 0.89 | 73% | 0.734 | S | S | * | * | trans | -70.9 | 124.1 | -170.1 | 30.4 | -33.3 | 0 | 0 | 0 | 110.5 | ||||
| 182 | R | 42.9 | Very low | 45.6 | Very low | 251 Ų | 251 | 125.6 Ų | 125.6 | 95% | 0.947 | 75% | 0.747 | S | S | * | * | trans | -106.9 | 115.2 | 171.9 | -143.3 | 168.9 | 160.7 | 143.1 | -5.5 | 108.1 | G180 | G180-R182 PolarHBondContact O-N 3.46Š| ||
| 183 | G | 37.3 | Very low | 44.3 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | -68.2 | 142.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 184 | N | 41.8 | Very low | 43.4 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 94% | 0.936 | 77% | 0.77 | S | S | * | * | trans | 39 | 120.4 | 133.3 | -130.9 | 57.9 | 0 | 0 | 0 | 120.3 | ||||
| 185 | G | 35.2 | Very low | 42.7 | Very low | 64 Ų | 64 | 130.9 Ų | 130.9 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | trans | 170.6 | 79.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 186 | D | 35.4 | Very low | 42.4 | Very low | 156 Ų | 156 | 126.9 Ų | 126.9 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | 53.3 | 113.6 | 150.4 | -61.3 | -48.1 | 0 | 0 | 0 | 122.8 | ||||
| 187 | A | 47 | Very low | 42.1 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | 24 | 117.4 | 137.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 188 | V | 38 | Very low | 42 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | -170.8 | 127.7 | 114.2 | 64.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 189 | S | 36.1 | Very low | 41.5 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | 61.5 | 109.3 | 156.7 | 49.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 190 | S | 36.3 | Very low | 41.8 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | -98.8 | 154.9 | 134.6 | -67.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 191 | P | 48.3 | Very low | 43.1 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | -128.5 | 141.9 | 73.8 | 16.7 | 6 | 0 | 0 | 0 | 113 | |||||
| 192 | T | 38.6 | Very low | 43.9 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 37.8 | 118.8 | 96.7 | 35.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 193 | D | 35.5 | Very low | 44.6 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | 169.4 | 156 | 81.8 | -107 | -43.3 | 0 | 0 | 0 | 105.4 | |||||
| 194 | T | 41.1 | Very low | 45 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | cis | -170.6 | 137.1 | 32.3 | 24.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 195 | T | 40.2 | Very low | 45.1 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -58.1 | 160.8 | 153.8 | -43.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 196 | P | 46.6 | Very low | 45.7 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | cis | -157.1 | 172.4 | 46.4 | 43.4 | -19.2 | 0 | 0 | 0 | 120.4 | ||||
| 197 | T | 44.7 | Very low | 46.3 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 30.4 | 138.2 | 146.1 | 55.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 198 | H | 47.7 | Very low | 46.3 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 68% | 0.676 | 77% | 0.769 | S | S | * | * | -178.3 | 136.5 | 82.7 | -144.2 | -17.1 | 0 | 0 | 0 | 111.8 | |||||
| 199 | E | 39 | Very low | 46.8 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | 44.1 | 138.7 | 138.6 | 73.4 | -163.2 | 157.3 | 0 | 0 | 124.3 | ||||
| 200 | N | 57.9 | Low | 47.6 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -136.5 | 122.5 | 162.7 | -144.8 | -3.1 | 0 | 0 | 0 | 107.4 | ||||
| 201 | P | 64.3 | Low | 48.4 | Very low | 97 Ų | 97 | 137.6 Ų | 137.6 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | trans | -92.9 | 155.9 | 174.8 | 34.3 | -30.7 | 0 | 0 | 0 | 112.1 | ||||
| 202 | P | 67.6 | Low | 48.4 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | -88.6 | 145 | 172 | 34.8 | -30.4 | 0 | 0 | 0 | 111.8 | ||||
| 203 | F | 58.3 | Low | 49.3 | Very low | 281 Ų | 281 | 142 Ų | 142 | 100% | 1.232 | 78% | 0.776 | S | S | * | * | trans | -122.5 | 0 | 150.1 | -78 | -74.9 | 0 | 0 | 0 | 108.3 |
Retrieved 203 of 203 residues in 486.2 ms
(Link to these results)