| 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 | 43.5 | Very low | 53.1 | Low | 234 Ų | 234 | 149 Ų | 149 | 100% | 1.153 | 84% | 0.839 | S | S | * | * | 0 | 131.1 | 0 | -73.5 | 166.4 | 163 | 0 | 0 | 107.2 | |||||
| 2 | T | 52.5 | Low | 53.5 | Low | 128 Ų | 128 | 144.6 Ų | 144.6 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | 62.1 | 136.1 | 171.6 | 56.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 3 | N | 51.2 | Low | 54.1 | Low | 128 Ų | 128 | 150.1 Ų | 150.1 | 68% | 0.684 | 83% | 0.827 | S | S | * | * | cis | -171.6 | 123.8 | -14.2 | -111.4 | -41.4 | 0 | 0 | 0 | 103.7 | ||||
| 4 | L | 54 | Low | 54.4 | Low | 156 Ų | 156 | 148 Ų | 148 | 82% | 0.817 | 82% | 0.82 | S | S | * | * | 61.3 | 121.7 | 111.6 | -95.1 | 82.5 | 0 | 0 | 0 | 118.6 | |||||
| 5 | S | 52.1 | Low | 54.7 | Low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | 91.9 | 104 | 130.7 | -154.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 6 | A | 56 | Low | 55.4 | Low | 96 Ų | 96 | 150.4 Ų | 150.4 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | 179.1 | 80.4 | 137.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 7 | M | 51.1 | Low | 55.1 | Low | 172 Ų | 172 | 152.9 Ų | 152.9 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | 44.1 | 101.5 | 87 | -72.8 | -76.6 | 165.1 | 0 | 0 | 114.8 | |||||
| 8 | A | 51.6 | Low | 55.5 | Low | 97 Ų | 97 | 152.8 Ų | 152.8 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | 69.2 | 104.6 | 133 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 9 | A | 60.4 | Low | 55.2 | Low | 96 Ų | 96 | 148.4 Ų | 148.4 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -178.6 | 75.1 | 133.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 10 | Y | 52.9 | Low | 55.4 | Low | 243 Ų | 243 | 149 Ų | 149 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | -112.2 | 86.9 | 161.6 | -124.6 | -97.1 | 0 | 0 | 0 | 106.9 | ||||
| 11 | Q | 58.3 | Low | 54.8 | Low | 180 Ų | 180 | 150.4 Ų | 150.4 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -124.6 | 106.5 | 172.1 | -91.1 | 179.2 | 57.8 | 0 | 0 | 109.1 | ||||
| 12 | S | 57.8 | Low | 55.6 | Low | 96 Ų | 96 | 145.7 Ų | 145.7 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | 45.5 | 102.5 | 142.2 | 63.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 13 | Y | 61.9 | Low | 56 | Low | 216 Ų | 216 | 146 Ų | 146 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | -111 | 100.8 | 150.1 | -145 | -99.2 | 0 | 0 | 0 | 107.8 | I15 | Y13-I15 HydrophobicContact CD1-CD1 3.9Å; Y13-I15 HydrophobicContact CD1-CG1 3.6Å; Y13-I15 HydrophobicContact CE1-CD1 3.74Å; Y13-I15 HydrophobicContact CE1-CG1 3.57Å | ||
| 14 | V | 58.6 | Low | 56.4 | Low | 121 Ų | 121 | 146 Ų | 146 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | -107.6 | 106.4 | 174.1 | -170.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 15 | I | 58.1 | Low | 56.4 | Low | 118 Ų | 118 | 143.2 Ų | 143.2 | 61% | 0.605 | 77% | 0.772 | S | S | * | * | trans | -89.1 | 112.5 | 172.5 | -57.8 | 172.8 | 0 | 0 | 0 | 106.7 | Y13 F17 | Y13-I15 HydrophobicContact CD1-CD1 3.9Å; Y13-I15 HydrophobicContact CD1-CG1 3.6Å; Y13-I15 HydrophobicContact CE1-CD1 3.74Å; Y13-I15 HydrophobicContact CE1-CG1 3.57Å; I15-F17 HydrophobicContact CG2-CD2 4.11Å | ||
| 16 | R | 67.1 | Low | 56.4 | Low | 217 Ų | 217 | 143.8 Ų | 143.8 | 82% | 0.819 | 77% | 0.773 | S | S | * | * | trans | -87.6 | 115.2 | 165 | -87.9 | -168.1 | 168.7 | 108.8 | -1.2 | 109.1 | ||||
| 17 | F | 49.8 | Very low | 56.3 | Low | 193 Ų | 193 | 145 Ų | 145 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -88 | 107.6 | 162.6 | -111 | -96.7 | 0 | 0 | 0 | 107.4 | I15 | I15-F17 HydrophobicContact CG2-CD2 4.11Š| ||
| 18 | D | 61.6 | Low | 56.3 | Low | 151 Ų | 151 | 142.3 Ų | 142.3 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | trans | -99.5 | 96.8 | 164.5 | -110.6 | -74.8 | 0 | 0 | 0 | 107.2 | ||||
| 19 | G | 49.3 | Very low | 56.4 | Low | 68 Ų | 68 | 143.1 Ų | 143.1 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -79.7 | 116.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 20 | H | 59.2 | Low | 55.9 | Low | 161 Ų | 161 | 142.4 Ų | 142.4 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | -119.5 | 105.6 | 160.8 | -152.4 | 60.3 | 0 | 0 | 0 | 108.9 | D22 | H20-D22 IonicContact CD2-OD2 3.44Å; H20-D22 PolarHBondContact CD2-OD2 3.39Å; H20-D22 IonicContact NE2-OD2 3.95Å; H20-D22 PolarHBondContact O-N 2.94Å | ||
| 21 | F | 43.6 | Very low | 56.1 | Low | 178 Ų | 178 | 135.3 Ų | 135.3 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -79.6 | 96.3 | 172.5 | 179.8 | -94.6 | 0 | 0 | 0 | 107.2 | E23 | F21-E23 HydrophobicContact CE1-CB 4.25Š| ||
| 22 | D | 60.6 | Low | 56 | Low | 135 Ų | 135 | 135.4 Ų | 135.4 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -89.2 | 106.5 | 171.5 | -115.5 | -67.8 | 0 | 0 | 0 | 108.5 | H20 | H20-D22 IonicContact CD2-OD2 3.44Å; H20-D22 PolarHBondContact CD2-OD2 3.39Å; H20-D22 IonicContact NE2-OD2 3.95Å; H20-D22 PolarHBondContact O-N 2.94Å | ||
| 23 | E | 61.8 | Low | 56.3 | Low | 136 Ų | 136 | 135.7 Ų | 135.7 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | trans | -72.5 | 121.6 | 176.1 | -173.7 | -179.4 | 99.4 | 0 | 0 | 110.3 | F21 S25 | F21-E23 HydrophobicContact CE1-CB 4.25Å; E23-S25 PolarHBondContact O-N 3.04Å | ||
| 24 | P | 59.3 | Low | 56.6 | Low | 127 Ų | 127 | 130.5 Ų | 130.5 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -84.4 | 104 | 179.9 | 31.1 | -31 | 0 | 0 | 0 | 111 | ||||
| 25 | S | 54.3 | Low | 57.1 | Low | 98 Ų | 98 | 127.2 Ų | 127.2 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | trans | -94.2 | 152.9 | 169.1 | -94.7 | 0 | 0 | 0 | 0 | 113.1 | E23 | E23-S25 PolarHBondContact O-N 3.04Š| ||
| 26 | P | 51 | Low | 57.6 | Low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | trans | -111.8 | 114.8 | -135.5 | 35.4 | -24.9 | 0 | 0 | 0 | 113.2 | ||||
| 27 | S | 54.6 | Low | 57.1 | Low | 121 Ų | 121 | 125.1 Ų | 125.1 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -166 | 83.8 | 163.2 | -163.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 28 | S | 51.3 | Low | 57.5 | Low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -165.7 | 83.8 | 150.5 | 38.5 | 0 | 0 | 0 | 0 | 108.7 | G30 | S28-G30 PolarHBondContact O-N 3.04Š| ||
| 29 | A | 52 | Low | 57.3 | Low | 114 Ų | 114 | 119.2 Ų | 119.2 | 94% | 0.942 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 124.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 30 | G | 51.4 | Low | 57.3 | Low | 82 Ų | 82 | 124.6 Ų | 124.6 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 141.7 | -11.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | S28 | S28-G30 PolarHBondContact O-N 3.04Š|
| 31 | A | 56.1 | Low | 57.1 | Low | 94 Ų | 94 | 122.3 Ų | 122.3 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | -94.6 | 110 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 32 | E | 57 | Low | 57.7 | Low | 181 Ų | 181 | 116.8 Ų | 116.8 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -49 | 131.8 | 167 | -164.2 | -178.1 | 112.8 | 0 | 0 | 109 | ||
| 33 | P | 64 | Low | 57.7 | Low | 102 Ų | 102 | 117.3 Ų | 117.3 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 135.5 | 178.6 | 24.7 | -33.1 | 0 | 0 | 0 | 108.6 | G35 | P33-G35 PolarHBondContact O-N 2.76Š|
| 34 | P | 68.3 | Low | 57.8 | Low | 108 Ų | 108 | 118 Ų | 118 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 121.7 | 169.6 | 25 | -31.8 | 0 | 0 | 0 | 106.8 | ||
| 35 | G | 69.3 | Low | 58.4 | Low | 51 Ų | 51 | 113.7 Ų | 113.7 | 53% | 0.526 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -49.5 | 160.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P33 Q37 | P33-G35 PolarHBondContact O-N 2.76Å; G35-Q37 PolarHBondContact O-N 3.48Å |
| 36 | P | 68.4 | Low | 59.8 | Low | 135 Ų | 135 | 112.5 Ų | 112.5 | 88% | 0.877 | 72% | 0.72 | S | S | * | * | trans | -49.2 | 111.9 | -174.6 | 20.1 | -31.6 | 0 | 0 | 0 | 109.5 | ||||
| 37 | Q | 57.1 | Low | 61.4 | Low | 156 Ų | 156 | 113.1 Ų | 113.1 | 73% | 0.729 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 131.4 | 178.2 | -56.6 | -152.8 | 24.7 | 0 | 0 | 106.8 | G35 | G35-Q37 PolarHBondContact O-N 3.48Š|
| 38 | P | 56.7 | Low | 63 | Low | 107 Ų | 107 | 112.7 Ų | 112.7 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 140.2 | 177.7 | 23.7 | -32.6 | 0 | 0 | 0 | 108.2 | F40 | P38-F40 PolarHBondContact O-N 2.74Å; P38-F40 VanDerWaalsContact O-N 3.09Å |
| 39 | P | 58.3 | Low | 64.7 | Low | 113 Ų | 113 | 112.5 Ų | 112.5 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 127.4 | 176.1 | 24.4 | -33 | 0 | 0 | 0 | 106.9 | A41 | P39-A41 PolarHBondContact O-N 2.99Š|
| 40 | F | 48.1 | Very low | 66.3 | Low | 182 Ų | 182 | 108.6 Ų | 108.6 | 80% | 0.798 | 65% | 0.645 | S | S | * | * | trans | -30.2 | 107.4 | -179.5 | -79.1 | -90.3 | 0 | 0 | 0 | 110.5 | P38 G42 R43 | P38-F40 PolarHBondContact O-N 2.74Å; P38-F40 VanDerWaalsContact O-N 3.09Å; F40-G42 PolarHBondContact O-N 3.06Å; F40-R43 PolarHBondContact O-N 3.39Å | ||
| 41 | A | 55 | Low | 68.1 | Low | 112 Ų | 112 | 109.7 Ų | 109.7 | 93% | 0.926 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 11.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P39 | P39-A41 PolarHBondContact O-N 2.99Š|
| 42 | G | 57.7 | Low | 69.8 | Low | 62 Ų | 62 | 110.5 Ų | 110.5 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 6.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | F40 M44 | F40-G42 PolarHBondContact O-N 3.06Å; G42-M44 PolarHBondContact O-N 2.78Å; G42-M44 VanDerWaalsContact O-N 3.12Å |
| 43 | R | 59.2 | Low | 71.3 | Confident | 147 Ų | 147 | 103.1 Ų | 103.1 | 56% | 0.555 | 58% | 0.582 | S | S | * | * | trans | -72.3 | 103.7 | 171.2 | -73.8 | -174.2 | -168.1 | -121.4 | 3.2 | 109.6 | F40 I45 E50 | F40-R43 PolarHBondContact O-N 3.39Å; R43-I45 PolarHBondContact O-N 2.95Å; R43-E50 VanDerWaalsContact CD-OE1 3.32Å; R43-E50 WeakPolarHBondContact CD-OE1 3.49Å; R43-E50 IonicContact CZ-OE1 3.91Å; R43-E50 IonicContact CZ-OE2 3.7Å; R43-E50 IonicContact NE-OE1 3.97Å; R43-E50 IonicContact NH1-OE1 3.14Å; R43-E50 PolarHBondContact NH1-OE1 2.91Å; R43-E50 VanDerWaalsContact NH1-OE1 3.14Å; R43-E50 IonicContact NH1-OE2 2.61Å; R43-E50 PolarHBondContact NH1-OE2 2.64Å | ||
| 44 | M | 64.1 | Low | 72.5 | Confident | 149 Ų | 149 | 102.8 Ų | 102.8 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -71.4 | -5.3 | 172.8 | -79.7 | -147.4 | -61.5 | 0 | 0 | 113.9 | G42 F73 | G42-M44 PolarHBondContact O-N 2.78Å; G42-M44 VanDerWaalsContact O-N 3.12Å; M44-F73 HydrophobicContact CE-CE1 4.11Å; M44-F73 HydrophobicContact CE-CE2 4.47Å; M44-F73 HydrophobicContact CE-CZ 3.52Å |
| 45 | I | 72.7 | Confident | 73.7 | Confident | 38 Ų | 38 | 100.6 Ų | 100.6 | 20% | 0.195 | 56% | 0.559 | C | S | . | * | S | Bend | trans | -128 | 137.7 | 178.5 | 46.5 | 172.9 | 0 | 0 | 0 | 109.6 | R43 R49 E50 | R43-I45 PolarHBondContact O-N 2.95Å; I45-R49 HydrophobicContact CB-CB 4.46Å; I45-R49 HydrophobicContact CB-CG 4.46Å; I45-R49 HydrophobicContact CG2-CG 4.48Å; I45-E50 HydrophobicContact CB-CG 4.17Å; I45-E50 HydrophobicContact CD1-CB 4.34Å; I45-E50 HydrophobicContact CD1-CG 3.28Å; I45-E50 HydrophobicContact CG1-CG 3.39Å |
| 46 | S | 82.5 | Confident | 74.7 | Confident | 73 Ų | 73 | 100 Ų | 100 | 51% | 0.51 | 55% | 0.548 | S | S | . | . | trans | -62.2 | 150.9 | 177.1 | 64.7 | 0 | 0 | 0 | 0 | 110.2 | E48 R49 E50 | S46-E48 PolarHBondContact O-N 3.01Å; S46-E48 VanDerWaalsContact O-N 3.15Å; S46-R49 CarbonylContact O-C 3.45Å; S46-R49 WeakPolarHBondContact O-CA 3.43Å; S46-R49 WeakPolarHBondContact O-CB 3.44Å; S46-R49 PolarHBondContact O-N 3.49Å; S46-R49 WeakPolarHBondContact OG-CB 3.46Å; S46-R49 PolarHBondContact OG-N 3.32Å; S46-E50 PolarHBondContact O-N 3.07Å | ||
| 47 | L | 85.6 | Confident | 75.7 | Confident | 133 Ų | 133 | 95.3 Ų | 95.3 | 70% | 0.696 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -52.2 | -39 | 177.6 | -167.1 | 90.3 | 0 | 0 | 0 | 111.8 | E50 H51 | L47-E50 WeakPolarHBondContact O-CB 3.33Å; L47-E50 PolarHBondContact O-N 2.91Å; L47-H51 WeakPolarHBondContact O-CB 3.25Å; L47-H51 PolarHBondContact O-N 2.81Å |
| 48 | E | 88.1 | Confident | 77.4 | Confident | 112 Ų | 112 | 93 Ų | 93 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 175.8 | -175.6 | 55.3 | -142.1 | 0 | 0 | 111.9 | S46 H51 Q52 | S46-E48 PolarHBondContact O-N 3.01Å; S46-E48 VanDerWaalsContact O-N 3.15Å; E48-H51 PolarHBondContact O-N 3.27Å; E48-Q52 WeakPolarHBondContact O-CB 3.49Å; E48-Q52 VanDerWaalsContact O-CG 3.26Å; E48-Q52 WeakPolarHBondContact O-CG 3.37Å; E48-Q52 PolarHBondContact O-N 2.78Å; E48-Q52 PolarHBondContact OE1-NE2 3.28Å |
| 49 | R | 86.9 | Confident | 79.2 | Confident | 112 Ų | 112 | 92.6 Ų | 92.6 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 176.4 | -172.7 | 174.5 | -176.8 | -154.7 | -0.9 | 111.9 | I45 S46 Q52 V53 | I45-R49 HydrophobicContact CB-CB 4.46Å; I45-R49 HydrophobicContact CB-CG 4.46Å; I45-R49 HydrophobicContact CG2-CG 4.48Å; S46-R49 CarbonylContact O-C 3.45Å; S46-R49 WeakPolarHBondContact O-CA 3.43Å; S46-R49 WeakPolarHBondContact O-CB 3.44Å; S46-R49 PolarHBondContact O-N 3.49Å; S46-R49 WeakPolarHBondContact OG-CB 3.46Å; S46-R49 PolarHBondContact OG-N 3.32Å; R49-Q52 PolarHBondContact O-N 3.21Å; R49-V53 WeakPolarHBondContact O-CB 3.46Å; R49-V53 WeakPolarHBondContact O-CG2 3.42Å; R49-V53 PolarHBondContact O-N 3.15Å |
| 50 | E | 86.2 | Confident | 80.7 | Confident | 31 Ų | 31 | 88.5 Ų | 88.5 | 15% | 0.145 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -59.1 | -49.2 | 172.1 | -72.8 | 173 | 157.1 | 0 | 0 | 110.8 | R43 I45 S46 L47 Q52 V53 I54 | R43-E50 VanDerWaalsContact CD-OE1 3.32Å; R43-E50 WeakPolarHBondContact CD-OE1 3.49Å; R43-E50 IonicContact CZ-OE1 3.91Å; R43-E50 IonicContact CZ-OE2 3.7Å; R43-E50 IonicContact NE-OE1 3.97Å; R43-E50 IonicContact NH1-OE1 3.14Å; R43-E50 PolarHBondContact NH1-OE1 2.91Å; R43-E50 VanDerWaalsContact NH1-OE1 3.14Å; R43-E50 IonicContact NH1-OE2 2.61Å; R43-E50 PolarHBondContact NH1-OE2 2.64Å; I45-E50 HydrophobicContact CB-CG 4.17Å; I45-E50 HydrophobicContact CD1-CB 4.34Å; I45-E50 HydrophobicContact CD1-CG 3.28Å; I45-E50 HydrophobicContact CG1-CG 3.39Å; S46-E50 PolarHBondContact O-N 3.07Å; L47-E50 WeakPolarHBondContact O-CB 3.33Å; L47-E50 PolarHBondContact O-N 2.91Å; E50-Q52 PolarHBondContact O-N 2.99Å; E50-V53 PolarHBondContact O-N 3.37Å; E50-I54 WeakPolarHBondContact O-CD1 3.05Å; E50-I54 VanDerWaalsContact O-CG1 3.24Å; E50-I54 WeakPolarHBondContact O-CG1 3.3Å; E50-I54 PolarHBondContact O-N 3.37Å |
| 51 | H | 89.5 | Confident | 82.8 | Confident | 106 Ų | 106 | 83.9 Ų | 83.9 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 178 | -173.8 | -127.2 | 0 | 0 | 0 | 111.6 | L47 E48 V53 I54 V55 | L47-H51 WeakPolarHBondContact O-CB 3.25Å; L47-H51 PolarHBondContact O-N 2.81Å; E48-H51 PolarHBondContact O-N 3.27Å; H51-V53 PolarHBondContact O-N 3.48Å; H51-I54 PolarHBondContact O-N 2.97Å; H51-V55 WeakPolarHBondContact O-CG2 3.19Å; H51-V55 PolarHBondContact O-N 3.35Å |
| 52 | Q | 90.7 | Very high | 84.6 | Confident | 110 Ų | 110 | 84.5 Ų | 84.5 | 51% | 0.514 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.4 | -73.8 | 173.3 | 16.6 | 0 | 0 | 112.7 | E48 R49 E50 I54 V55 A56 | E48-Q52 WeakPolarHBondContact O-CB 3.49Å; E48-Q52 VanDerWaalsContact O-CG 3.26Å; E48-Q52 WeakPolarHBondContact O-CG 3.37Å; E48-Q52 PolarHBondContact O-N 2.78Å; E48-Q52 PolarHBondContact OE1-NE2 3.28Å; R49-Q52 PolarHBondContact O-N 3.21Å; E50-Q52 PolarHBondContact O-N 2.99Å; Q52-I54 VanDerWaalsContact C-N 3.34Å; Q52-V55 PolarHBondContact O-N 3.14Å; Q52-A56 VanDerWaalsContact O-CB 3.3Å; Q52-A56 WeakPolarHBondContact O-CB 3.49Å; Q52-A56 PolarHBondContact O-N 3.11Å |
| 53 | V | 88.6 | Confident | 86.3 | Confident | 26 Ų | 26 | 84.2 Ų | 84.2 | 16% | 0.158 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 175.1 | 163.4 | 0 | 0 | 0 | 0 | 111 | R49 E50 H51 A56 A57 V72 | R49-V53 WeakPolarHBondContact O-CB 3.46Å; R49-V53 WeakPolarHBondContact O-CG2 3.42Å; R49-V53 PolarHBondContact O-N 3.15Å; E50-V53 PolarHBondContact O-N 3.37Å; H51-V53 PolarHBondContact O-N 3.48Å; V53-A56 PolarHBondContact O-N 2.92Å; V53-A57 WeakPolarHBondContact O-CB 3.36Å; V53-A57 PolarHBondContact O-N 3.02Å; V53-V72 HydrophobicContact CG1-CB 4.13Å; V53-V72 HydrophobicContact CG1-CG1 3.85Å; V53-V72 HydrophobicContact CG1-CG2 3.4Å; V53-V72 VanDerWaalsContact CG1-CG2 3.4Å |
| 54 | I | 89 | Confident | 87.6 | Confident | 96 Ų | 96 | 79.8 Ų | 79.8 | 49% | 0.492 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 178.3 | -68.6 | 163.1 | 0 | 0 | 0 | 110.4 | E50 H51 Q52 A56 A57 L58 | E50-I54 WeakPolarHBondContact O-CD1 3.05Å; E50-I54 VanDerWaalsContact O-CG1 3.24Å; E50-I54 WeakPolarHBondContact O-CG1 3.3Å; E50-I54 PolarHBondContact O-N 3.37Å; H51-I54 PolarHBondContact O-N 2.97Å; Q52-I54 VanDerWaalsContact C-N 3.34Å; I54-A56 PolarHBondContact O-N 3.28Å; I54-A57 WeakPolarHBondContact O-CB 3.09Å; I54-A57 PolarHBondContact O-N 3.02Å; I54-L58 HydrophobicContact CG2-CD1 4.05Å; I54-L58 WeakPolarHBondContact O-CG 3.24Å; I54-L58 PolarHBondContact O-N 3.14Å |
| 55 | V | 93.1 | Very high | 88.7 | Confident | 61 Ų | 61 | 80.5 Ų | 80.5 | 37% | 0.37 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 179 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | H51 Q52 A57 L58 L59 | H51-V55 WeakPolarHBondContact O-CG2 3.19Å; H51-V55 PolarHBondContact O-N 3.35Å; Q52-V55 PolarHBondContact O-N 3.14Å; V55-A57 VanDerWaalsContact C-N 3.35Å; V55-A57 PolarHBondContact O-N 3.31Å; V55-L58 PolarHBondContact O-N 2.98Å; V55-L59 HydrophobicContact CG1-CD1 4Å; V55-L59 HydrophobicContact CG1-CG 4.47Å; V55-L59 WeakPolarHBondContact O-CG 3Å; V55-L59 PolarHBondContact O-N 3.32Å |
| 56 | A | 90.7 | Very high | 89.3 | Confident | 38 Ų | 38 | 82.9 Ų | 82.9 | 31% | 0.314 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q52 V53 I54 H60 P70 | Q52-A56 VanDerWaalsContact O-CB 3.3Å; Q52-A56 WeakPolarHBondContact O-CB 3.49Å; Q52-A56 PolarHBondContact O-N 3.11Å; V53-A56 PolarHBondContact O-N 2.92Å; I54-A56 PolarHBondContact O-N 3.28Å; A56-H60 WeakPolarHBondContact O-CB 3.4Å; A56-H60 PolarHBondContact O-N 3.3Å; A56-P70 HydrophobicContact CB-CB 3.89Å |
| 57 | A | 90.2 | Very high | 89.3 | Confident | 38 Ų | 38 | 81.9 Ų | 81.9 | 31% | 0.314 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V53 I54 V55 H60 V61 P70 | V53-A57 WeakPolarHBondContact O-CB 3.36Å; V53-A57 PolarHBondContact O-N 3.02Å; I54-A57 WeakPolarHBondContact O-CB 3.09Å; I54-A57 PolarHBondContact O-N 3.02Å; V55-A57 VanDerWaalsContact C-N 3.35Å; V55-A57 PolarHBondContact O-N 3.31Å; A57-H60 WeakPolarHBondContact O-CB 3.18Å; A57-H60 PolarHBondContact O-N 2.97Å; A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 3.04Å; A57-V61 VanDerWaalsContact O-N 3.12Å; A57-P70 HydrophobicContact CB-CG 3.82Å |
| 58 | L | 93.3 | Very high | 89.1 | Confident | 107 Ų | 107 | 80.9 Ų | 80.9 | 56% | 0.56 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -64.5 | -45.1 | 178.2 | -70.7 | 171 | 0 | 0 | 0 | 111.6 | I54 V55 H60 V61 V62 | I54-L58 HydrophobicContact CG2-CD1 4.05Å; I54-L58 WeakPolarHBondContact O-CG 3.24Å; I54-L58 PolarHBondContact O-N 3.14Å; V55-L58 PolarHBondContact O-N 2.98Å; L58-H60 VanDerWaalsContact C-N 3.27Å; L58-H60 PolarHBondContact O-N 3.08Å; L58-V61 PolarHBondContact O-N 2.95Å; L58-V62 WeakPolarHBondContact O-CB 3.26Å; L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.44Å; L58-V62 PolarHBondContact O-N 3.48Å |
| 59 | L | 92.5 | Very high | 88.5 | Confident | 98 Ų | 98 | 79.4 Ų | 79.4 | 51% | 0.513 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.1 | -37.4 | 174.9 | -74.7 | 170.2 | 0 | 0 | 0 | 112 | V55 S63 | V55-L59 HydrophobicContact CG1-CD1 4Å; V55-L59 HydrophobicContact CG1-CG 4.47Å; V55-L59 WeakPolarHBondContact O-CG 3Å; V55-L59 PolarHBondContact O-N 3.32Å; L59-S63 WeakPolarHBondContact O-CB 3.45Å; L59-S63 PolarHBondContact O-N 3.37Å; L59-S63 PolarHBondContact O-OG 2.93Å |
| 60 | H | 90.5 | Very high | 88 | Confident | 27 Ų | 27 | 75.7 Ų | 75.7 | 13% | 0.125 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 176.1 | -174.4 | 61.9 | 0 | 0 | 0 | 112.8 | A56 A57 L58 Y65 T67 | A56-H60 WeakPolarHBondContact O-CB 3.4Å; A56-H60 PolarHBondContact O-N 3.3Å; A57-H60 WeakPolarHBondContact O-CB 3.18Å; A57-H60 PolarHBondContact O-N 2.97Å; L58-H60 VanDerWaalsContact C-N 3.27Å; L58-H60 PolarHBondContact O-N 3.08Å; H60-Y65 AromaticContact CD2-CD1 3.73Å; H60-Y65 AromaticContact NE2-CD1 3.41Å; H60-Y65 WeakPolarHBondContact NE2-CD1 3.43Å; H60-Y65 WeakPolarHBondContact O-CA 3.33Å; H60-Y65 PolarHBondContact O-N 3.39Å; H60-T67 WeakPolarHBondContact CA-OG1 3.3Å; H60-T67 WeakPolarHBondContact CB-OG1 3.4Å; H60-T67 PolarHBondContact CE1-O 3.41Å; H60-T67 PolarHBondContact ND1-O 2.82Å; H60-T67 PolarHBondContact ND1-OG1 3.37Å |
| 61 | V | 92.9 | Very high | 87.4 | Confident | 86 Ų | 86 | 81.7 Ų | 81.7 | 52% | 0.521 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.8 | -47.1 | 177.3 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | A57 L58 S63 G64 | A57-V61 WeakPolarHBondContact O-CG2 3.44Å; A57-V61 PolarHBondContact O-N 3.04Å; A57-V61 VanDerWaalsContact O-N 3.12Å; L58-V61 PolarHBondContact O-N 2.95Å; V61-S63 VanDerWaalsContact C-N 3.27Å; V61-S63 PolarHBondContact O-N 2.95Å; V61-G64 PolarHBondContact O-N 2.06Å |
| 62 | V | 92.9 | Very high | 86.3 | Confident | 125 Ų | 125 | 79.6 Ų | 79.6 | 76% | 0.758 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.4 | -33 | -179.1 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | L58 G64 | L58-V62 WeakPolarHBondContact O-CB 3.26Å; L58-V62 VanDerWaalsContact O-CG2 3.3Å; L58-V62 WeakPolarHBondContact O-CG2 3.44Å; L58-V62 PolarHBondContact O-N 3.48Å; V62-G64 PolarHBondContact O-N 3.48Å |
| 63 | S | 92.1 | Very high | 84.9 | Confident | 55 Ų | 55 | 80.3 Ų | 80.3 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 7 | 176 | -53.8 | 0 | 0 | 0 | 0 | 113.6 | L59 V61 Y65 A66 | L59-S63 WeakPolarHBondContact O-CB 3.45Å; L59-S63 PolarHBondContact O-N 3.37Å; L59-S63 PolarHBondContact O-OG 2.93Å; V61-S63 VanDerWaalsContact C-N 3.27Å; V61-S63 PolarHBondContact O-N 2.95Å; S63-Y65 VanDerWaalsContact C-N 3.34Å; S63-Y65 PolarHBondContact O-N 3.08Å; S63-A66 VanDerWaalsContact O-CB 3.23Å; S63-A66 WeakPolarHBondContact O-CB 3.47Å; S63-A66 PolarHBondContact O-N 3.18Å |
| 64 | G | 87.9 | Confident | 83.6 | Confident | 55 Ų | 55 | 84.7 Ų | 84.7 | 57% | 0.567 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 37.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | V61 V62 A66 | V61-G64 PolarHBondContact O-N 2.06Å; V62-G64 PolarHBondContact O-N 3.48Å; G64-A66 PolarHBondContact O-N 3.47Å |
| 65 | Y | 86 | Confident | 81.9 | Confident | 163 Ų | 163 | 84.7 Ų | 84.7 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 17.3 | -177.1 | -50 | -90.6 | 0 | 0 | 0 | 114.9 | H60 S63 | H60-Y65 AromaticContact CD2-CD1 3.73Å; H60-Y65 AromaticContact NE2-CD1 3.41Å; H60-Y65 WeakPolarHBondContact NE2-CD1 3.43Å; H60-Y65 WeakPolarHBondContact O-CA 3.33Å; H60-Y65 PolarHBondContact O-N 3.39Å; S63-Y65 VanDerWaalsContact C-N 3.34Å; S63-Y65 PolarHBondContact O-N 3.08Å |
| 66 | A | 86.2 | Confident | 80 | Confident | 88 Ų | 88 | 86 Ų | 86 | 73% | 0.727 | 52% | 0.515 | S | S | * | . | trans | -77 | -16.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S63 G64 | S63-A66 VanDerWaalsContact O-CB 3.23Å; S63-A66 WeakPolarHBondContact O-CB 3.47Å; S63-A66 PolarHBondContact O-N 3.18Å; G64-A66 PolarHBondContact O-N 3.47Å | ||
| 67 | T | 82.6 | Confident | 78.4 | Confident | 52 Ų | 52 | 89.4 Ų | 89.4 | 32% | 0.319 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -92.1 | 161.5 | 173.5 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | H60 | H60-T67 WeakPolarHBondContact CA-OG1 3.3Å; H60-T67 WeakPolarHBondContact CB-OG1 3.4Å; H60-T67 PolarHBondContact CE1-O 3.41Å; H60-T67 PolarHBondContact ND1-O 2.82Å; H60-T67 PolarHBondContact ND1-OG1 3.37Å |
| 68 | P | 80.4 | Confident | 76.8 | Confident | 112 Ų | 112 | 92 Ų | 92 | 73% | 0.727 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 142.8 | 172.8 | 25.8 | -33.4 | 0 | 0 | 0 | 111.2 | ||
| 69 | P | 76.8 | Confident | 75.1 | Confident | 82 Ų | 82 | 90.9 Ų | 90.9 | 53% | 0.532 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 142.8 | 177.6 | 25.7 | -33.5 | 0 | 0 | 0 | 110.8 | Q71 | P69-Q71 PolarHBondContact O-N 3.12Š|
| 70 | P | 76 | Confident | 73.7 | Confident | 33 Ų | 33 | 88.7 Ų | 88.7 | 21% | 0.214 | 56% | 0.557 | C | S | . | * | P | Polyproline II helix | trans | -63.4 | 128.3 | 179.6 | 27.3 | -35.8 | 0 | 0 | 0 | 110.8 | A56 A57 V72 | A56-P70 HydrophobicContact CB-CB 3.89Å; A57-P70 HydrophobicContact CB-CG 3.82Å; P70-V72 VanDerWaalsContact C-N 3.33Å; P70-V72 HydrophobicContact CB-CG2 4.33Å; P70-V72 HydrophobicContact CG-CG2 4.34Å; P70-V72 WeakPolarHBondContact O-CG2 2.98Å; P70-V72 PolarHBondContact O-N 2.89Å |
| 71 | Q | 72.5 | Confident | 73 | Confident | 157 Ų | 157 | 95.2 Ų | 95.2 | 73% | 0.734 | 58% | 0.58 | S | S | * | * | trans | -78.7 | 80.7 | 178.1 | -61.4 | -78.6 | 25.8 | 0 | 0 | 109.6 | P69 F73 | P69-Q71 PolarHBondContact O-N 3.12Å; Q71-F73 VanDerWaalsContact C-N 3.33Å | ||
| 72 | V | 67 | Low | 72.2 | Confident | 63 Ų | 63 | 92.2 Ų | 92.2 | 38% | 0.382 | 56% | 0.563 | S | S | . | * | trans | -74 | -27 | -175.4 | -168.5 | 0 | 0 | 0 | 0 | 112.3 | V53 P70 | V53-V72 HydrophobicContact CG1-CB 4.13Å; V53-V72 HydrophobicContact CG1-CG1 3.85Å; V53-V72 HydrophobicContact CG1-CG2 3.4Å; V53-V72 VanDerWaalsContact CG1-CG2 3.4Å; P70-V72 VanDerWaalsContact C-N 3.33Å; P70-V72 HydrophobicContact CB-CG2 4.33Å; P70-V72 HydrophobicContact CG-CG2 4.34Å; P70-V72 WeakPolarHBondContact O-CG2 2.98Å; P70-V72 PolarHBondContact O-N 2.89Å | ||
| 73 | F | 62.3 | Low | 71.5 | Confident | 125 Ų | 125 | 95.6 Ų | 95.6 | 55% | 0.548 | 57% | 0.57 | S | S | . | * | trans | -148.3 | 119.8 | -178.7 | -116.8 | -101 | 0 | 0 | 0 | 108.1 | M44 Q71 P75 | M44-F73 HydrophobicContact CE-CE1 4.11Å; M44-F73 HydrophobicContact CE-CE2 4.47Å; M44-F73 HydrophobicContact CE-CZ 3.52Å; Q71-F73 VanDerWaalsContact C-N 3.33Å; F73-P75 WeakPolarHBondContact O-CD 3.31Å | ||
| 74 | T | 59.6 | Low | 70.9 | Confident | 117 Ų | 117 | 98.3 Ų | 98.3 | 72% | 0.718 | 58% | 0.584 | S | S | * | * | trans | -75.8 | 107.2 | 159.1 | -36 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 75 | P | 54.6 | Low | 70.8 | Confident | 96 Ų | 96 | 98.4 Ų | 98.4 | 62% | 0.623 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 143 | 171 | 26.3 | -33 | 0 | 0 | 0 | 107.4 | F73 | F73-P75 WeakPolarHBondContact O-CD 3.31Š|
| 76 | P | 53.9 | Low | 70.6 | Confident | 90 Ų | 90 | 92.1 Ų | 92.1 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 147.9 | 167.4 | 24.6 | -32.7 | 0 | 0 | 0 | 108.4 | A78 A80 | P76-A78 PolarHBondContact O-N 3.09Å; P76-A80 HydrophobicContact CB-CB 4.24Å |
| 77 | P | 56.9 | Low | 70 | Confident | 108 Ų | 108 | 93.3 Ų | 93.3 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 134.3 | -177.5 | 19.9 | -32.6 | 0 | 0 | 0 | 109.6 | A79 A80 | P77-A79 PolarHBondContact O-N 3.19Å; P77-A80 PolarHBondContact O-N 3.03Å |
| 78 | A | 56.5 | Low | 69.8 | Low | 93 Ų | 93 | 95.8 Ų | 95.8 | 77% | 0.769 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -8.9 | -162.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | P76 | P76-A78 PolarHBondContact O-N 3.09Š|
| 79 | A | 57.5 | Low | 69.3 | Low | 84 Ų | 84 | 100.6 Ų | 100.6 | 69% | 0.694 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 3.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P77 R81 | P77-A79 PolarHBondContact O-N 3.19Å; A79-R81 PolarHBondContact O-N 3.22Å |
| 80 | A | 62 | Low | 69.2 | Low | 51 Ų | 51 | 98.7 Ų | 98.7 | 42% | 0.421 | 55% | 0.552 | S | S | . | * | trans | -83.5 | 104.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P76 P77 | P76-A80 HydrophobicContact CB-CB 4.24Å; P77-A80 PolarHBondContact O-N 3.03Å | ||
| 81 | R | 77.3 | Confident | 69.2 | Low | 165 Ų | 165 | 105 Ų | 105 | 62% | 0.623 | 58% | 0.583 | S | S | * | * | B | Isolated β-bridge | trans | -67.2 | 140.4 | 168.1 | -59.9 | 176.3 | 82.9 | 137.4 | 1.5 | 109.5 | A79 Q83 G86 E88 | A79-R81 PolarHBondContact O-N 3.22Å; R81-Q83 PolarHBondContact O-N 2.95Å; R81-G86 PolarHBondContact NE-O 3.48Å; R81-G86 PolarHBondContact NH2-O 2.79Å; R81-E88 HydrophobicContact CG-CG 4.29Å; R81-E88 WeakPolarHBondContact CG-OE1 3.48Å |
| 82 | C | 76 | Confident | 69.1 | Low | 22 Ų | 22 | 98.5 Ų | 98.5 | 15% | 0.149 | 56% | 0.558 | C | S | . | * | trans | -59.9 | 129.4 | 173.4 | 164.3 | 0 | 0 | 0 | 0 | 110.2 | V84 C85 G86 M87 C90 C93 | C82-V84 PolarHBondContact O-N 3.32Å; C82-V84 PolarHBondContact SG-N 2.7Å; C82-C85 VanDerWaalsContact CB-SG 3.6Å; C82-C85 PolarHBondContact SG-N 3.5Å; C82-G86 WeakPolarHBondContact O-CA 3.17Å; C82-G86 PolarHBondContact O-N 3.37Å; C82-M87 PolarHBondContact N-O 3.15Å; C82-M87 VanDerWaalsContact N-O 3.08Å; C82-C90 HydrophobicContact CB-CB 3.25Å; C82-C93 WeakPolarHBondContact CB-SG 3.24Å; C82-C93 WeakPolarHBondContact SG-CB 3.39Å; C82-C93 CovalentContact SG-SG 2.06Å; C82-C93 PolarHBondContact SG-SG 2.75Å | ||
| 83 | Q | 78.1 | Confident | 69.3 | Low | 196 Ų | 196 | 96.9 Ų | 96.9 | 92% | 0.916 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -21.1 | 179.7 | -63 | -176.6 | 5.8 | 0 | 0 | 113.6 | R81 | R81-Q83 PolarHBondContact O-N 2.95Š|
| 84 | V | 79.3 | Confident | 69.5 | Low | 112 Ų | 112 | 98.7 Ų | 98.7 | 68% | 0.679 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -44.4 | 179.7 | -172.8 | 0 | 0 | 0 | 0 | 112.8 | C82 C93 | C82-V84 PolarHBondContact O-N 3.32Å; C82-V84 PolarHBondContact SG-N 2.7Å; V84-C93 HydrophobicContact CB-CB 3.54Å; V84-C93 HydrophobicContact CG1-CB 4.21Å; V84-C93 HydrophobicContact CG2-CB 3.64Å |
| 85 | C | 86.3 | Confident | 69.4 | Low | 57 Ų | 57 | 100.6 Ų | 100.6 | 39% | 0.385 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.5 | -8.1 | -175.4 | 78 | 0 | 0 | 0 | 0 | 115 | C82 M87 C90 C93 | C82-C85 VanDerWaalsContact CB-SG 3.6Å; C82-C85 PolarHBondContact SG-N 3.5Å; C85-M87 HydrophobicContact CB-CE 4.3Å; C85-M87 PolarHBondContact O-N 2.83Å; C85-M87 VanDerWaalsContact O-N 3.14Å; C85-M87 WeakPolarHBondContact SG-CE 3.44Å; C85-C90 PolarHBondContact SG-SG 3.49Å; C85-C93 PolarHBondContact SG-SG 2.93Å |
| 86 | G | 80.7 | Confident | 69.4 | Low | 31 Ų | 31 | 104.1 Ų | 104.1 | 32% | 0.32 | 56% | 0.564 | S | S | . | * | trans | 70.4 | 3.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | R81 C82 | R81-G86 PolarHBondContact NE-O 3.48Å; R81-G86 PolarHBondContact NH2-O 2.79Å; C82-G86 WeakPolarHBondContact O-CA 3.17Å; C82-G86 PolarHBondContact O-N 3.37Å | ||
| 87 | M | 74.3 | Confident | 69.1 | Low | 113 Ų | 113 | 103.1 Ų | 103.1 | 56% | 0.557 | 56% | 0.564 | S | S | * | * | trans | -79.5 | 132.6 | 179.1 | -60.3 | -169.5 | -70.3 | 0 | 0 | 111.1 | C82 C85 R89 C90 | C82-M87 PolarHBondContact N-O 3.15Å; C82-M87 VanDerWaalsContact N-O 3.08Å; C85-M87 HydrophobicContact CB-CE 4.3Å; C85-M87 PolarHBondContact O-N 2.83Å; C85-M87 VanDerWaalsContact O-N 3.14Å; C85-M87 WeakPolarHBondContact SG-CE 3.44Å; M87-R89 PolarHBondContact O-N 3.33Å; M87-C90 PolarHBondContact O-N 3.43Å | ||
| 88 | E | 77.2 | Confident | 68.6 | Low | 104 Ų | 104 | 103.1 Ų | 103.1 | 49% | 0.486 | 57% | 0.572 | S | S | . | * | B | Isolated β-bridge | trans | -57.8 | 131.5 | 161.4 | -64.9 | -87.2 | 133 | 0 | 0 | 107.7 | R81 | R81-E88 HydrophobicContact CG-CG 4.29Å; R81-E88 WeakPolarHBondContact CG-OE1 3.48Å |
| 89 | R | 69.5 | Low | 68 | Low | 214 Ų | 214 | 101.2 Ų | 101.2 | 81% | 0.808 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.6 | 41.9 | -177.6 | -51.2 | 178 | 64.5 | -138.4 | 0 | 115.1 | M87 L91 | M87-R89 PolarHBondContact O-N 3.33Å; R89-L91 PolarHBondContact O-N 3.35Å |
| 90 | C | 76.6 | Confident | 67.3 | Low | 42 Ų | 42 | 106.8 Ų | 106.8 | 28% | 0.284 | 57% | 0.574 | S | S | . | * | trans | -63.1 | 125.9 | 169.1 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | C82 C85 M87 G92 C93 | C82-C90 HydrophobicContact CB-CB 3.25Å; C85-C90 PolarHBondContact SG-SG 3.49Å; M87-C90 PolarHBondContact O-N 3.43Å; C90-G92 VanDerWaalsContact C-N 3.27Å; C90-G92 PolarHBondContact O-N 3.12Å; C90-G92 PolarHBondContact SG-N 3.47Å; C90-C93 PolarHBondContact SG-N 2.94Å; C90-C93 PolarHBondContact SG-SG 3.3Å | ||
| 91 | L | 74.2 | Confident | 66.3 | Low | 165 Ų | 165 | 108.1 Ų | 108.1 | 86% | 0.864 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -79.6 | -0.6 | -179.7 | -65.6 | 172 | 0 | 0 | 0 | 114.2 | R89 | R89-L91 PolarHBondContact O-N 3.35Š|
| 92 | G | 71.5 | Confident | 64.3 | Low | 21 Ų | 21 | 105 Ų | 105 | 22% | 0.216 | 60% | 0.602 | C | S | . | * | trans | 158.5 | 57.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | C90 E94 F95 | C90-G92 VanDerWaalsContact C-N 3.27Å; C90-G92 PolarHBondContact O-N 3.12Å; C90-G92 PolarHBondContact SG-N 3.47Å; G92-E94 PolarHBondContact O-N 3.08Å; G92-F95 WeakPolarHBondContact O-CB 3.44Å; G92-F95 PolarHBondContact O-N 2.87Å | ||
| 93 | C | 71.6 | Confident | 62.8 | Low | 28 Ų | 28 | 112.4 Ų | 112.4 | 19% | 0.189 | 64% | 0.639 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60.8 | -36.5 | 160.9 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | C82 V84 C85 C90 A97 | C82-C93 WeakPolarHBondContact CB-SG 3.24Å; C82-C93 WeakPolarHBondContact SG-CB 3.39Å; C82-C93 CovalentContact SG-SG 2.06Å; C82-C93 PolarHBondContact SG-SG 2.75Å; V84-C93 HydrophobicContact CB-CB 3.54Å; V84-C93 HydrophobicContact CG1-CB 4.21Å; V84-C93 HydrophobicContact CG2-CB 3.64Å; C85-C93 PolarHBondContact SG-SG 2.93Å; C90-C93 PolarHBondContact SG-N 2.94Å; C90-C93 PolarHBondContact SG-SG 3.3Å; C93-A97 WeakPolarHBondContact O-CB 3.35Å |
| 94 | E | 65.5 | Low | 60.9 | Low | 163 Ų | 163 | 106.8 Ų | 106.8 | 76% | 0.762 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -18.7 | 174.4 | -63.3 | -169 | 148.7 | 0 | 0 | 112.7 | G92 F96 A97 | G92-E94 PolarHBondContact O-N 3.08Å; E94-F96 PolarHBondContact O-N 2.97Å; E94-F96 VanDerWaalsContact O-N 3.15Å; E94-A97 PolarHBondContact O-N 3.09Å; E94-A97 VanDerWaalsContact O-N 3.08Å |
| 95 | F | 59 | Low | 58.9 | Low | 158 Ų | 158 | 105.2 Ų | 105.2 | 69% | 0.693 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -22.7 | -180 | -158.9 | -91.3 | 0 | 0 | 0 | 112.6 | G92 | G92-F95 WeakPolarHBondContact O-CB 3.44Å; G92-F95 PolarHBondContact O-N 2.87Å |
| 96 | F | 53.9 | Low | 56.5 | Low | 169 Ų | 169 | 106 Ų | 106 | 74% | 0.741 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 0.3 | 173.3 | -62 | -78.4 | 0 | 0 | 0 | 113.6 | E94 A98 | E94-F96 PolarHBondContact O-N 2.97Å; E94-F96 VanDerWaalsContact O-N 3.15Å; F96-A98 VanDerWaalsContact C-N 3.31Å; F96-A98 PolarHBondContact O-N 3.28Å |
| 97 | A | 47.9 | Very low | 54.5 | Low | 70 Ų | 70 | 109.3 Ų | 109.3 | 58% | 0.579 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -2.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C93 E94 G99 | C93-A97 WeakPolarHBondContact O-CB 3.35Å; E94-A97 PolarHBondContact O-N 3.09Å; E94-A97 VanDerWaalsContact O-N 3.08Å; A97-G99 VanDerWaalsContact C-N 3.27Å; A97-G99 PolarHBondContact O-N 3.15Å |
| 98 | A | 44.9 | Very low | 53.1 | Low | 107 Ų | 107 | 113 Ų | 113 | 88% | 0.884 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 11.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F96 | F96-A98 VanDerWaalsContact C-N 3.31Å; F96-A98 PolarHBondContact O-N 3.28Å |
| 99 | G | 43.9 | Very low | 51.1 | Low | 53 Ų | 53 | 117.6 Ų | 117.6 | 55% | 0.546 | 72% | 0.716 | S | S | . | * | S | Bend | trans | -144.8 | 89.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A97 | A97-G99 VanDerWaalsContact C-N 3.27Å; A97-G99 PolarHBondContact O-N 3.15Å |
| 100 | E | 44.6 | Very low | 49.6 | Very low | 202 Ų | 202 | 111.6 Ų | 111.6 | 94% | 0.944 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 59.2 | 101.2 | 154.4 | -52.3 | -169.4 | 104.1 | 0 | 0 | 117.7 | ||
| 101 | G | 40.5 | Very low | 47.6 | Very low | 79 Ų | 79 | 114.5 Ų | 114.5 | 81% | 0.814 | 74% | 0.739 | S | S | * | * | trans | 125.9 | 76.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L103 | G101-L103 PolarHBondContact O-N 2.98Š| ||
| 102 | A | 35.1 | Very low | 45.9 | Very low | 99 Ų | 99 | 111.2 Ų | 111.2 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -53.6 | 131.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 103 | L | 45.5 | Very low | 44.1 | Very low | 178 Ų | 178 | 117.2 Ų | 117.2 | 93% | 0.932 | 77% | 0.769 | S | S | * | * | trans | -174.2 | 90.9 | 146.3 | -96.5 | 167.4 | 0 | 0 | 0 | 109.6 | G101 | G101-L103 PolarHBondContact O-N 2.98Š| ||
| 104 | G | 37.5 | Very low | 42.1 | Very low | 77 Ų | 77 | 119.7 Ų | 119.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 43.2 | 117 | 138.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 105 | G | 37.1 | Very low | 40.6 | Very low | 80 Ų | 80 | 115.4 Ų | 115.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | 93.2 | 126.5 | 104.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 106 | G | 36.6 | Very low | 39.4 | Very low | 73 Ų | 73 | 112.9 Ų | 112.9 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | 80.9 | 103.6 | 149.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 107 | A | 38.5 | Very low | 38.6 | Very low | 101 Ų | 101 | 109.9 Ų | 109.9 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | 53.1 | 106.3 | 85.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 108 | E | 44.2 | Very low | 38.2 | Very low | 189 Ų | 189 | 111.8 Ų | 111.8 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | 168 | 125.7 | 108.3 | -156.7 | 162.6 | 115.3 | 0 | 0 | 111.4 | |||||
| 109 | K | 35.5 | Very low | 37.9 | Very low | 201 Ų | 201 | 110 Ų | 110 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | 11.2 | 153 | 146.9 | -126.9 | 175.8 | 178.4 | -177.3 | 0 | 122.4 | ||||
| 110 | A | 37.6 | Very low | 38.1 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 74% | 0.736 | 84% | 0.84 | S | S | * | * | trans | 93.7 | 105.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 111 | A | 34.3 | Very low | 38.3 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | 53 | 95.3 | 70.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 112 | A | 39.1 | Very low | 38.9 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 79% | 0.793 | 84% | 0.842 | S | S | * | * | trans | 179.6 | 125 | 140.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 113 | T | 33 | Very low | 39.7 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | trans | -38.4 | 139.3 | 153.3 | -22 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 114 | G | 31 | Very low | 40.2 | Very low | 80 Ų | 80 | 136.3 Ų | 136.3 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | 91.5 | 123 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 115 | G | 33.3 | Very low | 41 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 85% | 0.851 | S | S | * | * | trans | 160 | 78.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 116 | A | 34.2 | Very low | 42.1 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 87% | 0.868 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -53.9 | 138.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 117 | A | 36.8 | Very low | 43.4 | Very low | 105 Ų | 105 | 152.8 Ų | 152.8 | 87% | 0.868 | 85% | 0.852 | S | S | * | * | trans | 80.4 | 75.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 118 | A | 38.4 | Very low | 44.9 | Very low | 110 Ų | 110 | 151.4 Ų | 151.4 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -164.1 | 78.5 | 148.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 119 | G | 40.1 | Very low | 46.8 | Very low | 70 Ų | 70 | 150.8 Ų | 150.8 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | trans | -143.8 | 25.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R121 | G119-R121 PolarHBondContact O-N 3.49Š| ||
| 120 | Q | 47.8 | Very low | 49.5 | Very low | 202 Ų | 202 | 143.3 Ų | 143.3 | 94% | 0.944 | 79% | 0.792 | S | S | * | * | trans | -76 | 59.1 | 168.4 | -65.7 | -172.2 | 11.9 | 0 | 0 | 110.1 | ||||
| 121 | R | 49.3 | Very low | 52.1 | Low | 238 Ų | 238 | 143.1 Ų | 143.1 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -107.1 | 92.5 | 170 | -84.6 | -176 | 147.3 | -149.2 | -4 | 108.7 | G119 | G119-R121 PolarHBondContact O-N 3.49Š|
| 122 | R | 51.9 | Low | 54.8 | Low | 236 Ų | 236 | 139.4 Ų | 139.4 | 89% | 0.891 | 74% | 0.744 | S | S | * | * | trans | 50.7 | 96.1 | 165.9 | -59.1 | -166.1 | 174.2 | -150.5 | -1.4 | 114.8 | R124 | R122-R124 VanDerWaalsContact C-N 3.28Å; R122-R124 PolarHBondContact O-N 3.38Å | ||
| 123 | R | 52.8 | Low | 57.5 | Low | 254 Ų | 254 | 135.1 Ų | 135.1 | 96% | 0.958 | 71% | 0.708 | S | S | * | * | trans | -51.5 | 86.8 | 164.6 | -70.3 | -175.1 | 173.4 | -160.8 | -0.1 | 110.1 | K125 | R123-K125 PolarHBondContact O-N 3.13Š| ||
| 124 | R | 54.9 | Low | 60.4 | Low | 234 Ų | 234 | 132.8 Ų | 132.8 | 88% | 0.883 | 68% | 0.682 | S | S | * | * | trans | -54.8 | 114.4 | 155.9 | -77.5 | -176.2 | 174.8 | -178.1 | -1.7 | 104.7 | R122 K126 | R122-R124 VanDerWaalsContact C-N 3.28Å; R122-R124 PolarHBondContact O-N 3.38Å; R124-K126 WeakPolarHBondContact O-CA 3.43Å; R124-K126 PolarHBondContact O-N 2.94Å | ||
| 125 | K | 54.3 | Low | 63.4 | Low | 207 Ų | 207 | 133.6 Ų | 133.6 | 90% | 0.9 | 67% | 0.665 | S | S | * | * | trans | -38.5 | 100.7 | 179.5 | -92.8 | 171.7 | 172.3 | 175.2 | 0 | 108.2 | R123 K127 | R123-K125 PolarHBondContact O-N 3.13Å; K125-K127 PolarHBondContact O-N 2.91Å | ||
| 126 | K | 59.7 | Low | 66.1 | Low | 187 Ų | 187 | 137.9 Ų | 137.9 | 81% | 0.813 | 66% | 0.658 | S | S | * | * | trans | -71 | 103.3 | -170.3 | -127.5 | 168.8 | -178.6 | -180 | 0 | 105.6 | R124 N128 | R124-K126 WeakPolarHBondContact O-CA 3.43Å; R124-K126 PolarHBondContact O-N 2.94Å; K126-N128 PolarHBondContact O-N 3.27Å | ||
| 127 | K | 65.5 | Low | 68.8 | Low | 182 Ų | 182 | 139.5 Ų | 139.5 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -58.2 | -14.6 | 173.8 | -74 | -178.8 | 176 | -175 | 0 | 112.1 | K125 | K125-K127 PolarHBondContact O-N 2.91Š|
| 128 | N | 69.6 | Low | 71.3 | Confident | 72 Ų | 72 | 144.5 Ų | 144.5 | 39% | 0.385 | 66% | 0.656 | S | S | . | * | trans | -102.2 | 100.3 | -179.5 | -55.4 | 14.7 | 0 | 0 | 0 | 109.2 | K126 | K126-N128 PolarHBondContact O-N 3.27Š| ||
| 129 | K | 83.8 | Confident | 73.8 | Confident | 176 Ų | 176 | 140.9 Ų | 140.9 | 77% | 0.765 | 63% | 0.629 | S | S | * | * | trans | -67.7 | -33.9 | -179.4 | -173.7 | 90.6 | 172.2 | -141.3 | 0 | 112.5 | ||||
| 130 | Y | 91.8 | Very high | 76.4 | Confident | 44 Ų | 44 | 141.8 Ų | 141.8 | 17% | 0.173 | 61% | 0.613 | C | S | . | * | S | Bend | trans | -115.5 | 145.5 | -170.6 | -57.9 | -73.1 | 0 | 0 | 0 | 112.7 | A162 E163 A166 N184 F185 | Y130-A162 HydrophobicContact CD2-CB 3.83Å; Y130-A162 HydrophobicContact CE2-CB 3.86Å; Y130-E163 HydrophobicContact CE2-CG 4.31Å; Y130-A166 HydrophobicContact CD1-CB 3.82Å; Y130-A166 HydrophobicContact CD2-CB 4.13Å; Y130-A166 HydrophobicContact CG-CB 3.57Å; Y130-N184 HydrophobicContact CD1-CB 4.13Å; Y130-F185 HydrophobicContact CD1-CZ 4.19Å; Y130-F185 AromaticContact CE1-CE1 3.84Å; Y130-F185 HydrophobicContact CE1-CE1 3.84Å; Y130-F185 AromaticContact CE1-CZ 3.71Å; Y130-F185 HydrophobicContact CE1-CZ 3.71Å |
| 131 | R | 91.6 | Very high | 78.6 | Confident | 84 Ų | 84 | 134.3 Ų | 134.3 | 32% | 0.317 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.4 | 139.2 | 174.9 | -172.6 | 174.1 | 105.8 | -107.1 | 9.8 | 109.7 | V133 Y169 K182 N184 | R131-V133 PolarHBondContact O-N 2.57Å; R131-Y169 HydrophobicContact CB-CE1 4.31Å; R131-Y169 HydrophobicContact CG-CE1 4.03Å; R131-Y169 PolarHBondContact NE-OH 3.26Å; R131-Y169 PolarHBondContact NH2-OH 3.11Å; R131-Y169 WeakPolarHBondContact O-CD1 3.36Å; R131-K182 PolarHBondContact NH1-O 3.3Å; R131-K182 PolarHBondContact NH2-O 3.46Å; R131-N184 WeakPolarHBondContact CA-OD1 3.3Å; R131-N184 VanDerWaalsContact CB-OD1 3.25Å; R131-N184 WeakPolarHBondContact CB-OD1 3.48Å; R131-N184 PolarHBondContact N-OD1 2.91Å; R131-N184 PolarHBondContact O-ND2 2.69Å |
| 132 | G | 92.5 | Very high | 80.8 | Confident | 24 Ų | 24 | 123.2 Ų | 123.2 | 25% | 0.247 | 54% | 0.536 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -5.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A143 E144 Y169 | G132-A143 WeakPolarHBondContact O-CA 3.35Å; G132-E144 PolarHBondContact O-N 3.03Å; G132-Y169 VanDerWaalsContact CA-CE2 3.45Å |
| 133 | V | 94.4 | Very high | 82.9 | Confident | 7 Ų | 7 | 112 Ų | 112 | 4% | 0.042 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.3 | -177.7 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | R131 W141 A142 A165 A166 | R131-V133 PolarHBondContact O-N 2.57Å; V133-W141 HydrophobicContact CG1-CB 4.17Å; V133-W141 HydrophobicContact CG1-CD2 4.33Å; V133-W141 HydrophobicContact CG1-CE3 3.52Å; V133-W141 HydrophobicContact CG1-CZ3 4.26Å; V133-A142 WeakPolarHBondContact CA-O 3.45Å; V133-A165 HydrophobicContact CB-CB 4.5Å; V133-A165 HydrophobicContact CG1-CB 3.85Å; V133-A165 HydrophobicContact CG2-CB 3.84Å; V133-A166 HydrophobicContact CG2-CB 3.94Å |
| 134 | R | 94.1 | Very high | 84.9 | Confident | 98 Ų | 98 | 102.5 Ų | 102.5 | 37% | 0.37 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.7 | 172.8 | 61.2 | -179 | 173.5 | 77.8 | -1.3 | 110.5 | A142 E144 | R134-A142 HydrophobicContact CG-CB 3.97Å; R134-A142 PolarHBondContact N-O 2.81Å; R134-A142 PolarHBondContact O-N 2.88Å; R134-E144 IonicContact CZ-OE2 3.81Å; R134-E144 IonicContact NE-OE2 2.97Å; R134-E144 PolarHBondContact NE-OE2 3.12Å; R134-E144 IonicContact NH2-OE2 2.57Å; R134-E144 PolarHBondContact NH2-OE2 3.13Å; R134-E144 VanDerWaalsContact NH2-OE2 3.13Å |
| 135 | Q | 93.7 | Very high | 86.8 | Confident | 97 Ų | 97 | 91.9 Ų | 91.9 | 45% | 0.453 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.1 | 173.2 | -166.4 | 175.7 | 33.2 | 0 | 0 | 109.3 | W141 | Q135-W141 HydrophobicContact CB-CE3 4.09Å; Q135-W141 HydrophobicContact CB-CZ3 4.06Å; Q135-W141 HydrophobicContact CG-CE3 4.48Å |
| 136 | R | 91.9 | Very high | 88.7 | Confident | 164 Ų | 164 | 89.4 Ų | 89.4 | 62% | 0.619 | 41% | 0.406 | S | S | * | . | trans | -79.1 | 154.1 | 171.5 | -159.7 | 167.8 | -155.4 | 173.6 | 4.9 | 108.9 | W138 G139 K140 | R136-W138 HydrophobicContact CB-CB 4.43Å; R136-W138 HydrophobicContact CG-CB 4.39Å; R136-W138 PolarHBondContact O-N 3.27Å; R136-G139 PolarHBondContact O-N 2.99Å; R136-K140 PolarHBondContact N-O 3.09Å; R136-K140 VanDerWaalsContact N-O 3.12Å | ||
| 137 | P | 90.4 | Very high | 90 | Very high | 139 Ų | 139 | 82 Ų | 82 | 90% | 0.903 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -21 | 170.3 | 19.8 | -34.9 | 0 | 0 | 0 | 114 | G139 | P137-G139 PolarHBondContact O-N 2.86Š|
| 138 | W | 88.6 | Confident | 91 | Very high | 209 Ų | 209 | 77.8 Ų | 77.8 | 79% | 0.792 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -10.8 | 171.1 | -174.7 | -113.2 | 0 | 0 | 0 | 114.5 | R136 K140 | R136-W138 HydrophobicContact CB-CB 4.43Å; R136-W138 HydrophobicContact CG-CB 4.39Å; R136-W138 PolarHBondContact O-N 3.27Å; W138-K140 VanDerWaalsContact CD1-CG 3.47Å; W138-K140 PolarHBondContact O-N 3Å |
| 139 | G | 91.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 86 Ų | 86 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 93.7 | -27.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R136 P137 | R136-G139 PolarHBondContact O-N 2.99Å; P137-G139 PolarHBondContact O-N 2.86Å |
| 140 | K | 93.9 | Very high | 91.9 | Very high | 89 Ų | 89 | 85.7 Ų | 85.7 | 39% | 0.387 | 39% | 0.386 | S | S | . | . | trans | -62.5 | 148.8 | 175.4 | -61.6 | -72.1 | -171.9 | 179.6 | 0 | 111.9 | R136 W138 D160 | R136-K140 PolarHBondContact N-O 3.09Å; R136-K140 VanDerWaalsContact N-O 3.12Å; W138-K140 VanDerWaalsContact CD1-CG 3.47Å; W138-K140 PolarHBondContact O-N 3Å; K140-D160 VanDerWaalsContact CD-OD1 3.24Å; K140-D160 WeakPolarHBondContact CD-OD1 3.45Å; K140-D160 WeakPolarHBondContact CE-OD1 3.29Å; K140-D160 IonicContact NZ-OD1 3.13Å; K140-D160 PolarHBondContact NZ-OD1 3.31Å; K140-D160 IonicContact NZ-OD2 3.51Å | ||
| 141 | W | 94.9 | Very high | 91.7 | Very high | 46 Ų | 46 | 87.2 Ų | 87.2 | 17% | 0.174 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131.6 | 178.2 | -57.9 | 87 | 0 | 0 | 0 | 109.3 | V133 Q135 T158 F159 D160 T161 A162 A165 | V133-W141 HydrophobicContact CG1-CB 4.17Å; V133-W141 HydrophobicContact CG1-CD2 4.33Å; V133-W141 HydrophobicContact CG1-CE3 3.52Å; V133-W141 HydrophobicContact CG1-CZ3 4.26Å; Q135-W141 HydrophobicContact CB-CE3 4.09Å; Q135-W141 HydrophobicContact CB-CZ3 4.06Å; Q135-W141 HydrophobicContact CG-CE3 4.48Å; W141-T158 CarbonylContact O-C 3.43Å; W141-T158 VanDerWaalsContact O-CA 3.24Å; W141-T158 WeakPolarHBondContact O-CA 3.41Å; W141-F159 PolarHBondContact N-O 3.43Å; W141-F159 PolarHBondContact O-N 3.33Å; W141-D160 PolarHBondContact NE1-O 2.97Å; W141-T161 VanDerWaalsContact CD1-C 3.48Å; W141-A162 HydrophobicContact CD2-CB 3.65Å; W141-A162 HydrophobicContact CE3-CB 3.74Å; W141-A162 HydrophobicContact CG-CB 4.35Å; W141-A162 HydrophobicContact CH2-CB 3.72Å; W141-A162 HydrophobicContact CZ2-CB 3.68Å; W141-A162 HydrophobicContact CZ3-CB 3.75Å; W141-A165 HydrophobicContact CB-CB 3.98Å |
| 142 | A | 95.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 86.8 Ų | 86.8 | 3% | 0.033 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | V133 R134 T158 | V133-A142 WeakPolarHBondContact CA-O 3.45Å; R134-A142 HydrophobicContact CG-CB 3.97Å; R134-A142 PolarHBondContact N-O 2.81Å; R134-A142 PolarHBondContact O-N 2.88Å; A142-T158 HydrophobicContact CB-CG2 4.14Å |
| 143 | A | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 93.9 Ų | 93.9 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | G132 L156 G157 F159 A165 | G132-A143 WeakPolarHBondContact O-CA 3.35Å; A143-L156 HydrophobicContact CB-CB 4.17Å; A143-L156 HydrophobicContact CB-CD1 4.26Å; A143-L156 WeakPolarHBondContact O-CB 3.24Å; A143-L156 PolarHBondContact O-N 3.37Å; A143-G157 PolarHBondContact N-O 3.3Å; A143-G157 VanDerWaalsContact N-O 3.09Å; A143-G157 PolarHBondContact O-N 3.2Å; A143-F159 HydrophobicContact CB-CD2 4.36Å; A143-F159 HydrophobicContact CB-CE2 3.94Å; A143-A165 HydrophobicContact CB-CB 4.28Å; A143-A165 WeakPolarHBondContact CB-O 3.42Å |
| 144 | E | 95.3 | Very high | 91.6 | Very high | 56 Ų | 56 | 98 Ų | 98 | 26% | 0.262 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 145.8 | 176.2 | 62.6 | -171 | -125.2 | 0 | 0 | 109.9 | G132 R134 K154 Y169 | G132-E144 PolarHBondContact O-N 3.03Å; R134-E144 IonicContact CZ-OE2 3.81Å; R134-E144 IonicContact NE-OE2 2.97Å; R134-E144 PolarHBondContact NE-OE2 3.12Å; R134-E144 IonicContact NH2-OE2 2.57Å; R134-E144 PolarHBondContact NH2-OE2 3.13Å; R134-E144 VanDerWaalsContact NH2-OE2 3.13Å; E144-K154 CarbonylContact C-O 3.58Å; E144-K154 WeakPolarHBondContact CA-O 3.12Å; E144-Y169 WeakPolarHBondContact O-CD2 3.47Å; E144-Y169 WeakPolarHBondContact O-CE2 3.34Å |
| 145 | I | 94.2 | Very high | 91.6 | Very high | 10 Ų | 10 | 101.8 Ų | 101.8 | 5% | 0.051 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 140.7 | 177.3 | -170.9 | 159.9 | 0 | 0 | 0 | 110.9 | R153 K154 L156 Y169 A172 A173 F176 | I145-R153 WeakPolarHBondContact O-CA 3.47Å; I145-K154 HydrophobicContact CG2-CB 3.72Å; I145-K154 HydrophobicContact CG2-CG 4.46Å; I145-K154 PolarHBondContact N-O 2.9Å; I145-K154 PolarHBondContact O-N 3.15Å; I145-L156 HydrophobicContact CB-CD1 4.38Å; I145-L156 HydrophobicContact CG2-CD2 4.09Å; I145-L156 HydrophobicContact CG2-CG 4.44Å; I145-Y169 HydrophobicContact CB-CD2 4.49Å; I145-Y169 HydrophobicContact CB-CE2 4.1Å; I145-Y169 HydrophobicContact CG1-CE2 4.24Å; I145-A172 HydrophobicContact CD1-CB 4.19Å; I145-A173 HydrophobicContact CD1-CB 4.37Å; I145-F176 HydrophobicContact CD1-CB 3.79Å; I145-F176 HydrophobicContact CD1-CD2 3.72Å; I145-F176 HydrophobicContact CD1-CE2 4.45Å; I145-F176 HydrophobicContact CD1-CG 3.79Å; I145-F176 HydrophobicContact CG2-CD2 4.06Å; I145-F176 HydrophobicContact CG2-CE1 4.47Å; I145-F176 HydrophobicContact CG2-CE2 3.68Å; I145-F176 HydrophobicContact CG2-CZ 3.91Å |
| 146 | R | 93.8 | Very high | 91.7 | Very high | 156 Ų | 156 | 99.1 Ų | 99.1 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.3 | -178.4 | -177.5 | 178.4 | -171.5 | -95.2 | -1.4 | 110.5 | ||
| 147 | D | 87 | Confident | 91.9 | Very high | 30 Ų | 30 | 92 Ų | 92 | 16% | 0.16 | 43% | 0.431 | C | S | . | . | trans | -94.4 | 126.4 | 171.9 | -75.5 | -38 | 0 | 0 | 0 | 111.5 | R149 R150 A151 V152 F176 | D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 2.85Å; D147-R150 HydrophobicContact CB-CB 4.05Å; D147-A151 WeakPolarHBondContact O-CA 3.32Å; D147-A151 PolarHBondContact O-N 2.61Å; D147-A151 VanDerWaalsContact O-N 3.11Å; D147-V152 PolarHBondContact N-O 3.44Å; D147-F176 VanDerWaalsContact OD2-CD1 3.29Å; D147-F176 WeakPolarHBondContact OD2-CD1 3.47Å; D147-F176 WeakPolarHBondContact OD2-CE1 3.44Å | ||
| 148 | P | 87.1 | Confident | 92.2 | Very high | 95 Ų | 95 | 89.6 Ų | 89.6 | 62% | 0.617 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -27.5 | 175.9 | 28.5 | -33.7 | 0 | 0 | 0 | 112.4 | ||
| 149 | R | 87.4 | Confident | 92.5 | Very high | 244 Ų | 244 | 81.2 Ų | 81.2 | 92% | 0.921 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -43.4 | -178.2 | -70.1 | -171.7 | 174.1 | -175.6 | -2 | 113.1 | D147 | D147-R149 VanDerWaalsContact C-N 3.29Å; D147-R149 PolarHBondContact O-N 2.85Å |
| 150 | R | 86 | Confident | 92.7 | Very high | 170 Ų | 170 | 84.6 Ų | 84.6 | 64% | 0.642 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -15.7 | -176.6 | -63 | 176 | 69 | -171.4 | 3.4 | 112.9 | D147 V152 | D147-R150 HydrophobicContact CB-CB 4.05Å; R150-V152 HydrophobicContact CB-CB 4.4Å; R150-V152 HydrophobicContact CB-CG2 4.2Å; R150-V152 WeakPolarHBondContact O-CG2 3.32Å; R150-V152 PolarHBondContact O-N 3.14Å |
| 151 | A | 87.6 | Confident | 92.7 | Very high | 75 Ų | 75 | 83.1 Ų | 83.1 | 62% | 0.62 | 39% | 0.392 | S | S | * | . | trans | 55.3 | 12.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D147 | D147-A151 WeakPolarHBondContact O-CA 3.32Å; D147-A151 PolarHBondContact O-N 2.61Å; D147-A151 VanDerWaalsContact O-N 3.11Å | ||
| 152 | V | 89.4 | Confident | 92.7 | Very high | 76 Ų | 76 | 81.2 Ų | 81.2 | 46% | 0.461 | 39% | 0.386 | S | S | . | . | trans | -88.7 | 144 | 177.7 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | D147 R150 | D147-V152 PolarHBondContact N-O 3.44Å; R150-V152 HydrophobicContact CB-CB 4.4Å; R150-V152 HydrophobicContact CB-CG2 4.2Å; R150-V152 WeakPolarHBondContact O-CG2 3.32Å; R150-V152 PolarHBondContact O-N 3.14Å | ||
| 153 | R | 93.4 | Very high | 92.7 | Very high | 172 Ų | 172 | 85.3 Ų | 85.3 | 65% | 0.649 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.4 | 169.8 | -58 | -177.8 | -170.7 | -176.2 | 4.4 | 108.3 | I145 | I145-R153 WeakPolarHBondContact O-CA 3.47Å |
| 154 | K | 93.2 | Very high | 92.6 | Very high | 95 Ų | 95 | 89 Ų | 89 | 41% | 0.413 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.8 | 169.1 | 178.8 | -178.9 | 175.5 | -175.3 | 0 | 108.3 | E144 I145 L156 F176 | E144-K154 CarbonylContact C-O 3.58Å; E144-K154 WeakPolarHBondContact CA-O 3.12Å; I145-K154 HydrophobicContact CG2-CB 3.72Å; I145-K154 HydrophobicContact CG2-CG 4.46Å; I145-K154 PolarHBondContact N-O 2.9Å; I145-K154 PolarHBondContact O-N 3.15Å; K154-L156 HydrophobicContact CD-CD2 4.26Å; K154-L156 HydrophobicContact CG-CD2 4.24Å; K154-F176 HydrophobicContact CB-CZ 4.01Å; K154-F176 HydrophobicContact CD-CE2 3.6Å; K154-F176 HydrophobicContact CD-CZ 3.4Å; K154-F176 VanDerWaalsContact CD-CZ 3.4Å; K154-F176 HydrophobicContact CG-CZ 4.34Å |
| 155 | W | 93.8 | Very high | 92.7 | Very high | 176 Ų | 176 | 86.4 Ų | 86.4 | 67% | 0.667 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 126.8 | 171.3 | 175.3 | 45.6 | 0 | 0 | 0 | 108.8 | G157 T158 | W155-G157 PolarHBondContact NE1-O 2.94Å; W155-T158 HydrophobicContact CZ2-CG2 4.42Å |
| 156 | L | 95.3 | Very high | 92.7 | Very high | 42 Ų | 42 | 85.9 Ų | 85.9 | 22% | 0.22 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -27.4 | -177.3 | -58.1 | 176.4 | 0 | 0 | 0 | 112 | A143 I145 K154 Y169 A172 | A143-L156 HydrophobicContact CB-CB 4.17Å; A143-L156 HydrophobicContact CB-CD1 4.26Å; A143-L156 WeakPolarHBondContact O-CB 3.24Å; A143-L156 PolarHBondContact O-N 3.37Å; I145-L156 HydrophobicContact CB-CD1 4.38Å; I145-L156 HydrophobicContact CG2-CD2 4.09Å; I145-L156 HydrophobicContact CG2-CG 4.44Å; K154-L156 HydrophobicContact CD-CD2 4.26Å; K154-L156 HydrophobicContact CG-CD2 4.24Å; L156-Y169 HydrophobicContact CD1-CD2 4.05Å; L156-A172 HydrophobicContact CD1-CB 3.61Å; L156-A172 HydrophobicContact CD2-CB 3.52Å; L156-A172 HydrophobicContact CG-CB 4.23Å |
| 157 | G | 95.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 85.7 Ų | 85.7 | 14% | 0.144 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.2 | -175.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A143 W155 | A143-G157 PolarHBondContact N-O 3.3Å; A143-G157 VanDerWaalsContact N-O 3.09Å; A143-G157 PolarHBondContact O-N 3.2Å; W155-G157 PolarHBondContact NE1-O 2.94Å |
| 158 | T | 96.2 | Very high | 93.2 | Very high | 88 Ų | 88 | 85.1 Ų | 85.1 | 54% | 0.54 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.7 | 169.9 | 53.7 | 0 | 0 | 0 | 0 | 108.5 | W141 A142 W155 | W141-T158 CarbonylContact O-C 3.43Å; W141-T158 VanDerWaalsContact O-CA 3.24Å; W141-T158 WeakPolarHBondContact O-CA 3.41Å; A142-T158 HydrophobicContact CB-CG2 4.14Å; W155-T158 HydrophobicContact CZ2-CG2 4.42Å |
| 159 | F | 96 | Very high | 93.7 | Very high | 34 Ų | 34 | 81.6 Ų | 81.6 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 159.5 | -173 | -53.4 | -87.6 | 0 | 0 | 0 | 110.1 | W141 A143 E164 A165 A168 | W141-F159 PolarHBondContact N-O 3.43Å; W141-F159 PolarHBondContact O-N 3.33Å; A143-F159 HydrophobicContact CB-CD2 4.36Å; A143-F159 HydrophobicContact CB-CE2 3.94Å; F159-E164 HydrophobicContact CB-CB 4.33Å; F159-E164 HydrophobicContact CB-CG 4.31Å; F159-E164 HydrophobicContact CD1-CB 4.43Å; F159-E164 HydrophobicContact CD1-CG 3.6Å; F159-E164 HydrophobicContact CE1-CG 4.26Å; F159-E164 HydrophobicContact CG-CG 4.19Å; F159-A165 HydrophobicContact CB-CB 4.01Å; F159-A165 HydrophobicContact CD2-CB 3.56Å; F159-A165 HydrophobicContact CE2-CB 4.4Å; F159-A165 HydrophobicContact CG-CB 4.05Å; F159-A168 HydrophobicContact CE1-CB 3.99Å; F159-A168 HydrophobicContact CE2-CB 3.73Å; F159-A168 HydrophobicContact CZ-CB 3.3Å |
| 160 | D | 94.6 | Very high | 94 | Very high | 104 Ų | 104 | 70.4 Ų | 70.4 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -83.3 | -29.1 | -178.3 | -68.2 | -19 | 0 | 0 | 0 | 112.1 | K140 W141 | K140-D160 VanDerWaalsContact CD-OD1 3.24Å; K140-D160 WeakPolarHBondContact CD-OD1 3.45Å; K140-D160 WeakPolarHBondContact CE-OD1 3.29Å; K140-D160 IonicContact NZ-OD1 3.13Å; K140-D160 PolarHBondContact NZ-OD1 3.31Å; K140-D160 IonicContact NZ-OD2 3.51Å; W141-D160 PolarHBondContact NE1-O 2.97Å |
| 161 | T | 95.2 | Very high | 94.4 | Very high | 59 Ų | 59 | 68.3 Ų | 68.3 | 36% | 0.362 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -112.1 | 152.5 | 179 | 68.2 | 0 | 0 | 0 | 0 | 111.8 | W141 E163 E164 A165 | W141-T161 VanDerWaalsContact CD1-C 3.48Å; T161-E163 VanDerWaalsContact C-N 3.28Å; T161-E164 WeakPolarHBondContact OG1-CB 3.48Å; T161-E164 PolarHBondContact OG1-N 3.05Å; T161-E164 VanDerWaalsContact OG1-N 3.14Å; T161-A165 PolarHBondContact O-N 3.29Å |
| 162 | A | 94.1 | Very high | 94.8 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 5% | 0.05 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.8 | -34 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y130 W141 A166 | Y130-A162 HydrophobicContact CD2-CB 3.83Å; Y130-A162 HydrophobicContact CE2-CB 3.86Å; W141-A162 HydrophobicContact CD2-CB 3.65Å; W141-A162 HydrophobicContact CE3-CB 3.74Å; W141-A162 HydrophobicContact CG-CB 4.35Å; W141-A162 HydrophobicContact CH2-CB 3.72Å; W141-A162 HydrophobicContact CZ2-CB 3.68Å; W141-A162 HydrophobicContact CZ3-CB 3.75Å; A162-A166 VanDerWaalsContact O-CB 3.26Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.34Å |
| 163 | E | 94.8 | Very high | 95 | Very high | 90 Ų | 90 | 61.4 Ų | 61.4 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.2 | -44.4 | -176.7 | -65.2 | 70.9 | -158.2 | 0 | 0 | 111.2 | Y130 T161 A166 R167 F185 | Y130-E163 HydrophobicContact CE2-CG 4.31Å; T161-E163 VanDerWaalsContact C-N 3.28Å; E163-A166 PolarHBondContact O-N 2.91Å; E163-R167 WeakPolarHBondContact O-CG 3.33Å; E163-R167 PolarHBondContact O-N 3.4Å; E163-F185 HydrophobicContact CB-CZ 4.32Å |
| 164 | E | 95.3 | Very high | 95 | Very high | 78 Ų | 78 | 55.5 Ų | 55.5 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 174.5 | -173.4 | -175.9 | -171.7 | 0 | 0 | 111.6 | F159 T161 A166 R167 A168 | F159-E164 HydrophobicContact CB-CB 4.33Å; F159-E164 HydrophobicContact CB-CG 4.31Å; F159-E164 HydrophobicContact CD1-CB 4.43Å; F159-E164 HydrophobicContact CD1-CG 3.6Å; F159-E164 HydrophobicContact CE1-CG 4.26Å; F159-E164 HydrophobicContact CG-CG 4.19Å; T161-E164 WeakPolarHBondContact OG1-CB 3.48Å; T161-E164 PolarHBondContact OG1-N 3.05Å; T161-E164 VanDerWaalsContact OG1-N 3.14Å; E164-A166 PolarHBondContact O-N 3.42Å; E164-R167 PolarHBondContact O-N 3.29Å; E164-R167 VanDerWaalsContact O-N 3.11Å; E164-A168 PolarHBondContact O-N 3.06Å |
| 165 | A | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.4 | -40.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V133 W141 A143 F159 T161 Y169 | V133-A165 HydrophobicContact CB-CB 4.5Å; V133-A165 HydrophobicContact CG1-CB 3.85Å; V133-A165 HydrophobicContact CG2-CB 3.84Å; W141-A165 HydrophobicContact CB-CB 3.98Å; A143-A165 HydrophobicContact CB-CB 4.28Å; A143-A165 WeakPolarHBondContact CB-O 3.42Å; F159-A165 HydrophobicContact CB-CB 4.01Å; F159-A165 HydrophobicContact CD2-CB 3.56Å; F159-A165 HydrophobicContact CE2-CB 4.4Å; F159-A165 HydrophobicContact CG-CB 4.05Å; T161-A165 PolarHBondContact O-N 3.29Å; A165-Y169 WeakPolarHBondContact O-CB 3.48Å; A165-Y169 PolarHBondContact O-N 2.88Å |
| 166 | A | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.6 | -36 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y130 V133 A162 E163 E164 Y169 D170 N184 F185 | Y130-A166 HydrophobicContact CD1-CB 3.82Å; Y130-A166 HydrophobicContact CD2-CB 4.13Å; Y130-A166 HydrophobicContact CG-CB 3.57Å; V133-A166 HydrophobicContact CG2-CB 3.94Å; A162-A166 VanDerWaalsContact O-CB 3.26Å; A162-A166 WeakPolarHBondContact O-CB 3.26Å; A162-A166 PolarHBondContact O-N 3.34Å; E163-A166 PolarHBondContact O-N 2.91Å; E164-A166 PolarHBondContact O-N 3.42Å; A166-Y169 PolarHBondContact O-N 3.25Å; A166-D170 VanDerWaalsContact O-CG 3.32Å; A166-D170 PolarHBondContact O-N 2.89Å; A166-N184 HydrophobicContact CB-CB 4.32Å; A166-F185 HydrophobicContact CB-CE2 3.49Å; A166-F185 VanDerWaalsContact CB-CE2 3.49Å; A166-F185 HydrophobicContact CB-CZ 3.91Å |
| 167 | R | 95.4 | Very high | 94.4 | Very high | 152 Ų | 152 | 58.4 Ų | 58.4 | 57% | 0.574 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.4 | -44.5 | 174.8 | -75.3 | -171.1 | -67.9 | 160.6 | 0.3 | 111.7 | E163 E164 Y169 D170 Q171 F185 | E163-R167 WeakPolarHBondContact O-CG 3.33Å; E163-R167 PolarHBondContact O-N 3.4Å; E164-R167 PolarHBondContact O-N 3.29Å; E164-R167 VanDerWaalsContact O-N 3.11Å; R167-Y169 PolarHBondContact O-N 3.46Å; R167-D170 PolarHBondContact O-N 3.2Å; R167-D170 VanDerWaalsContact O-N 3.08Å; R167-Q171 WeakPolarHBondContact O-CG 3.24Å; R167-Q171 PolarHBondContact O-N 2.93Å; R167-F185 HydrophobicContact CB-CE2 4.47Å; R167-F185 HydrophobicContact CG-CD2 3.76Å; R167-F185 HydrophobicContact CG-CE2 3.57Å; R167-F185 HydrophobicContact CG-CZ 4.41Å |
| 168 | A | 95.7 | Very high | 94.1 | Very high | 17 Ų | 17 | 58.8 Ų | 58.8 | 14% | 0.14 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F159 E164 A172 | F159-A168 HydrophobicContact CE1-CB 3.99Å; F159-A168 HydrophobicContact CE2-CB 3.73Å; F159-A168 HydrophobicContact CZ-CB 3.3Å; E164-A168 PolarHBondContact O-N 3.06Å; A168-A172 PolarHBondContact O-N 3.44Å; A168-A172 VanDerWaalsContact O-N 3.13Å |
| 169 | Y | 96.4 | Very high | 93.6 | Very high | 21 Ų | 21 | 60.6 Ų | 60.6 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.8 | -39 | 173.3 | -177.5 | -89.7 | 0 | 0 | 0 | 113.1 | R131 G132 E144 I145 L156 A165 A166 R167 A173 | R131-Y169 HydrophobicContact CB-CE1 4.31Å; R131-Y169 HydrophobicContact CG-CE1 4.03Å; R131-Y169 PolarHBondContact NE-OH 3.26Å; R131-Y169 PolarHBondContact NH2-OH 3.11Å; R131-Y169 WeakPolarHBondContact O-CD1 3.36Å; G132-Y169 VanDerWaalsContact CA-CE2 3.45Å; E144-Y169 WeakPolarHBondContact O-CD2 3.47Å; E144-Y169 WeakPolarHBondContact O-CE2 3.34Å; I145-Y169 HydrophobicContact CB-CD2 4.49Å; I145-Y169 HydrophobicContact CB-CE2 4.1Å; I145-Y169 HydrophobicContact CG1-CE2 4.24Å; L156-Y169 HydrophobicContact CD1-CD2 4.05Å; A165-Y169 WeakPolarHBondContact O-CB 3.48Å; A165-Y169 PolarHBondContact O-N 2.88Å; A166-Y169 PolarHBondContact O-N 3.25Å; R167-Y169 PolarHBondContact O-N 3.46Å; Y169-A173 HydrophobicContact CE1-CB 4.44Å; Y169-A173 VanDerWaalsContact O-CB 3.31Å; Y169-A173 WeakPolarHBondContact O-CB 3.36Å; Y169-A173 PolarHBondContact O-N 2.97Å |
| 170 | D | 94.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 69.9 Ų | 69.9 | 5% | 0.048 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 177.9 | -76.5 | -7.4 | 0 | 0 | 0 | 112.1 | A166 R167 A172 A173 I174 L183 N184 F185 | A166-D170 VanDerWaalsContact O-CG 3.32Å; A166-D170 PolarHBondContact O-N 2.89Å; R167-D170 PolarHBondContact O-N 3.2Å; R167-D170 VanDerWaalsContact O-N 3.08Å; D170-A172 PolarHBondContact O-N 2.93Å; D170-A173 WeakPolarHBondContact O-CB 3.48Å; D170-A173 PolarHBondContact O-N 3.27Å; D170-A173 VanDerWaalsContact O-N 3.12Å; D170-I174 WeakPolarHBondContact O-CG1 3.38Å; D170-I174 PolarHBondContact O-N 3.12Å; D170-L183 HydrophobicContact CB-CB 4.31Å; D170-L183 HydrophobicContact CB-CD2 3.95Å; D170-L183 HydrophobicContact CB-CG 4.49Å; D170-L183 WeakPolarHBondContact OD1-CA 3.48Å; D170-N184 PolarHBondContact OD1-N 3.29Å; D170-N184 PolarHBondContact OD1-ND2 2.93Å; D170-N184 WeakPolarHBondContact OD2-CA 3.41Å; D170-N184 WeakPolarHBondContact OD2-CB 3.18Å; D170-N184 PolarHBondContact OD2-N 3.36Å; D170-F185 WeakPolarHBondContact OD2-CD2 3.18Å; D170-F185 PolarHBondContact OD2-N 3.24Å |
| 171 | Q | 94.5 | Very high | 92.9 | Very high | 127 Ų | 127 | 65.6 Ų | 65.6 | 59% | 0.593 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -56.5 | -50.5 | 173.6 | -71.5 | 172.6 | -43 | 0 | 0 | 111.1 | R167 A173 I174 E175 | R167-Q171 WeakPolarHBondContact O-CG 3.24Å; R167-Q171 PolarHBondContact O-N 2.93Å; Q171-A173 VanDerWaalsContact C-N 3.33Å; Q171-A173 PolarHBondContact O-N 2.98Å; Q171-I174 PolarHBondContact O-N 3.28Å; Q171-E175 PolarHBondContact O-N 3.46Å; Q171-E175 VanDerWaalsContact O-N 3.15Å |
| 172 | A | 94.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 70.3 Ų | 70.3 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I145 L156 A168 D170 I174 E175 F176 | I145-A172 HydrophobicContact CD1-CB 4.19Å; L156-A172 HydrophobicContact CD1-CB 3.61Å; L156-A172 HydrophobicContact CD2-CB 3.52Å; L156-A172 HydrophobicContact CG-CB 4.23Å; A168-A172 PolarHBondContact O-N 3.44Å; A168-A172 VanDerWaalsContact O-N 3.13Å; D170-A172 PolarHBondContact O-N 2.93Å; A172-I174 PolarHBondContact O-N 3.48Å; A172-E175 PolarHBondContact O-N 2.91Å; A172-E175 VanDerWaalsContact O-N 3.09Å; A172-F176 HydrophobicContact CB-CD2 4.29Å; A172-F176 HydrophobicContact CB-CE2 4.47Å; A172-F176 WeakPolarHBondContact O-CB 3.3Å; A172-F176 WeakPolarHBondContact O-CD2 3.36Å; A172-F176 PolarHBondContact O-N 3.44Å |
| 173 | A | 93.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 72 Ų | 72 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.9 | -34.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I145 Y169 D170 Q171 R177 A181 L183 | I145-A173 HydrophobicContact CD1-CB 4.37Å; Y169-A173 HydrophobicContact CE1-CB 4.44Å; Y169-A173 VanDerWaalsContact O-CB 3.31Å; Y169-A173 WeakPolarHBondContact O-CB 3.36Å; Y169-A173 PolarHBondContact O-N 2.97Å; D170-A173 WeakPolarHBondContact O-CB 3.48Å; D170-A173 PolarHBondContact O-N 3.27Å; D170-A173 VanDerWaalsContact O-N 3.12Å; Q171-A173 VanDerWaalsContact C-N 3.33Å; Q171-A173 PolarHBondContact O-N 2.98Å; A173-R177 WeakPolarHBondContact O-CB 3.49Å; A173-R177 PolarHBondContact O-N 2.69Å; A173-A181 HydrophobicContact CB-CB 4.12Å; A173-A181 VanDerWaalsContact O-CB 3.24Å; A173-A181 WeakPolarHBondContact O-CB 3.49Å; A173-L183 HydrophobicContact CB-CD2 3.95Å |
| 174 | I | 92.8 | Very high | 92.5 | Very high | 48 Ų | 48 | 69.7 Ų | 69.7 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.6 | -47 | 174 | -62.9 | 166.2 | 0 | 0 | 0 | 110.9 | D170 Q171 A172 F176 G178 A181 L183 F187 | D170-I174 WeakPolarHBondContact O-CG1 3.38Å; D170-I174 PolarHBondContact O-N 3.12Å; Q171-I174 PolarHBondContact O-N 3.28Å; A172-I174 PolarHBondContact O-N 3.48Å; I174-F176 VanDerWaalsContact C-N 3.29Å; I174-F176 PolarHBondContact O-N 2.87Å; I174-G178 CarbonylContact O-C 3.6Å; I174-G178 WeakPolarHBondContact O-CA 3.44Å; I174-G178 PolarHBondContact O-N 3.26Å; I174-A181 HydrophobicContact CG1-CB 4.48Å; I174-L183 HydrophobicContact CD1-CD1 3.87Å; I174-L183 HydrophobicContact CD1-CD2 4.37Å; I174-L183 HydrophobicContact CG1-CD1 4.09Å; I174-L183 HydrophobicContact CG1-CD2 3.84Å; I174-F187 HydrophobicContact CD1-CD2 3.79Å; I174-F187 HydrophobicContact CD1-CE2 3.15Å; I174-F187 HydrophobicContact CD1-CZ 3.78Å |
| 175 | E | 91.5 | Very high | 92.2 | Very high | 142 Ų | 142 | 69.1 Ų | 69.1 | 66% | 0.664 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -59.9 | -39.9 | 176.8 | -67.2 | 172 | -170.9 | 0 | 0 | 112.2 | Q171 A172 | Q171-E175 PolarHBondContact O-N 3.46Å; Q171-E175 VanDerWaalsContact O-N 3.15Å; A172-E175 PolarHBondContact O-N 2.91Å; A172-E175 VanDerWaalsContact O-N 3.09Å |
| 176 | F | 89.3 | Confident | 91.7 | Very high | 64 Ų | 64 | 74.7 Ų | 74.7 | 28% | 0.281 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -83.3 | -38.2 | -173.8 | -84.7 | -91.5 | 0 | 0 | 0 | 114.3 | I145 D147 K154 A172 I174 | I145-F176 HydrophobicContact CD1-CB 3.79Å; I145-F176 HydrophobicContact CD1-CD2 3.72Å; I145-F176 HydrophobicContact CD1-CE2 4.45Å; I145-F176 HydrophobicContact CD1-CG 3.79Å; I145-F176 HydrophobicContact CG2-CD2 4.06Å; I145-F176 HydrophobicContact CG2-CE1 4.47Å; I145-F176 HydrophobicContact CG2-CE2 3.68Å; I145-F176 HydrophobicContact CG2-CZ 3.91Å; D147-F176 VanDerWaalsContact OD2-CD1 3.29Å; D147-F176 WeakPolarHBondContact OD2-CD1 3.47Å; D147-F176 WeakPolarHBondContact OD2-CE1 3.44Å; K154-F176 HydrophobicContact CB-CZ 4.01Å; K154-F176 HydrophobicContact CD-CE2 3.6Å; K154-F176 HydrophobicContact CD-CZ 3.4Å; K154-F176 VanDerWaalsContact CD-CZ 3.4Å; K154-F176 HydrophobicContact CG-CZ 4.34Å; A172-F176 HydrophobicContact CB-CD2 4.29Å; A172-F176 HydrophobicContact CB-CE2 4.47Å; A172-F176 WeakPolarHBondContact O-CB 3.3Å; A172-F176 WeakPolarHBondContact O-CD2 3.36Å; A172-F176 PolarHBondContact O-N 3.44Å; I174-F176 VanDerWaalsContact C-N 3.29Å; I174-F176 PolarHBondContact O-N 2.87Å |
| 177 | R | 90 | Very high | 90.4 | Very high | 167 Ų | 167 | 81 Ų | 81 | 63% | 0.63 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -109.5 | -11.4 | -175.9 | -171.9 | 175.7 | -74.4 | -155.2 | 0.2 | 113 | A173 A181 | A173-R177 WeakPolarHBondContact O-CB 3.49Å; A173-R177 PolarHBondContact O-N 2.69Å; R177-A181 HydrophobicContact CB-CB 4.07Å |
| 178 | G | 89 | Confident | 88.6 | Confident | 22 Ų | 22 | 78.7 Ų | 78.7 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | trans | 87.3 | -172.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | I174 R180 A181 | I174-G178 CarbonylContact O-C 3.6Å; I174-G178 WeakPolarHBondContact O-CA 3.44Å; I174-G178 PolarHBondContact O-N 3.26Å; G178-R180 PolarHBondContact O-N 3.02Å; G178-A181 VanDerWaalsContact O-CB 3.3Å; G178-A181 WeakPolarHBondContact O-CB 3.41Å; G178-A181 PolarHBondContact O-N 3Å | ||
| 179 | P | 86.9 | Confident | 86.5 | Confident | 127 Ų | 127 | 85.2 Ų | 85.2 | 83% | 0.825 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.8 | -174.8 | 26.1 | -35.5 | 0 | 0 | 0 | 114.1 | A181 | P179-A181 VanDerWaalsContact C-N 3.27Å; P179-A181 PolarHBondContact O-N 2.91Å |
| 180 | R | 86.5 | Confident | 84 | Confident | 228 Ų | 228 | 93 Ų | 93 | 86% | 0.86 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 16.1 | 176.2 | -58.2 | -178.6 | 68.9 | 174.6 | 4.1 | 112.7 | G178 | G178-R180 PolarHBondContact O-N 3.02Š|
| 181 | A | 89.7 | Confident | 81.4 | Confident | 15 Ų | 15 | 97.6 Ų | 97.6 | 12% | 0.124 | 49% | 0.486 | C | S | . | . | trans | -63 | 138.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | A173 I174 R177 G178 P179 L183 | A173-A181 HydrophobicContact CB-CB 4.12Å; A173-A181 VanDerWaalsContact O-CB 3.24Å; A173-A181 WeakPolarHBondContact O-CB 3.49Å; I174-A181 HydrophobicContact CG1-CB 4.48Å; R177-A181 HydrophobicContact CB-CB 4.07Å; G178-A181 VanDerWaalsContact O-CB 3.3Å; G178-A181 WeakPolarHBondContact O-CB 3.41Å; G178-A181 PolarHBondContact O-N 3Å; P179-A181 VanDerWaalsContact C-N 3.27Å; P179-A181 PolarHBondContact O-N 2.91Å; A181-L183 HydrophobicContact CB-CD2 3.83Å; A181-L183 PolarHBondContact O-N 3.47Å | ||
| 182 | K | 90.2 | Very high | 78.6 | Confident | 157 Ų | 157 | 98.2 Ų | 98.2 | 68% | 0.683 | 50% | 0.498 | S | S | * | . | trans | -72.2 | 122 | 167.4 | -173 | 167.8 | -175 | 167.4 | 0 | 106.8 | R131 | R131-K182 PolarHBondContact NH1-O 3.3Å; R131-K182 PolarHBondContact NH2-O 3.46Å | ||
| 183 | L | 92.6 | Very high | 75.9 | Confident | 42 Ų | 42 | 101.2 Ų | 101.2 | 22% | 0.22 | 53% | 0.53 | C | S | . | . | trans | -108.3 | 166.3 | -179.9 | -54.8 | -175 | 0 | 0 | 0 | 110.9 | D170 A173 I174 A181 F185 F187 | D170-L183 HydrophobicContact CB-CB 4.31Å; D170-L183 HydrophobicContact CB-CD2 3.95Å; D170-L183 HydrophobicContact CB-CG 4.49Å; D170-L183 WeakPolarHBondContact OD1-CA 3.48Å; A173-L183 HydrophobicContact CB-CD2 3.95Å; I174-L183 HydrophobicContact CD1-CD1 3.87Å; I174-L183 HydrophobicContact CD1-CD2 4.37Å; I174-L183 HydrophobicContact CG1-CD1 4.09Å; I174-L183 HydrophobicContact CG1-CD2 3.84Å; A181-L183 HydrophobicContact CB-CD2 3.83Å; A181-L183 PolarHBondContact O-N 3.47Å; L183-F185 WeakPolarHBondContact CB-O 3.35Å; L183-F187 HydrophobicContact CD1-CD2 3.62Å; L183-F187 HydrophobicContact CD1-CE2 4.34Å; L183-F187 HydrophobicContact CD1-CG 4.48Å | ||
| 184 | N | 92.1 | Very high | 73.6 | Confident | 42 Ų | 42 | 109.1 Ų | 109.1 | 23% | 0.225 | 57% | 0.566 | C | S | . | * | S | Bend | trans | -82.5 | -37.2 | 171.7 | -67.6 | -60.4 | 0 | 0 | 0 | 111.4 | Y130 R131 A166 D170 | Y130-N184 HydrophobicContact CD1-CB 4.13Å; R131-N184 WeakPolarHBondContact CA-OD1 3.3Å; R131-N184 VanDerWaalsContact CB-OD1 3.25Å; R131-N184 WeakPolarHBondContact CB-OD1 3.48Å; R131-N184 PolarHBondContact N-OD1 2.91Å; R131-N184 PolarHBondContact O-ND2 2.69Å; A166-N184 HydrophobicContact CB-CB 4.32Å; D170-N184 PolarHBondContact OD1-N 3.29Å; D170-N184 PolarHBondContact OD1-ND2 2.93Å; D170-N184 WeakPolarHBondContact OD2-CA 3.41Å; D170-N184 WeakPolarHBondContact OD2-CB 3.18Å; D170-N184 PolarHBondContact OD2-N 3.36Å |
| 185 | F | 89.5 | Confident | 71.3 | Confident | 65 Ų | 65 | 113.6 Ų | 113.6 | 29% | 0.285 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -107.9 | 147.5 | 178.2 | -56.7 | -76.2 | 0 | 0 | 0 | 111.4 | Y130 E163 A166 R167 D170 L183 F187 | Y130-F185 HydrophobicContact CD1-CZ 4.19Å; Y130-F185 AromaticContact CE1-CE1 3.84Å; Y130-F185 HydrophobicContact CE1-CE1 3.84Å; Y130-F185 AromaticContact CE1-CZ 3.71Å; Y130-F185 HydrophobicContact CE1-CZ 3.71Å; E163-F185 HydrophobicContact CB-CZ 4.32Å; A166-F185 HydrophobicContact CB-CE2 3.49Å; A166-F185 VanDerWaalsContact CB-CE2 3.49Å; A166-F185 HydrophobicContact CB-CZ 3.91Å; R167-F185 HydrophobicContact CB-CE2 4.47Å; R167-F185 HydrophobicContact CG-CD2 3.76Å; R167-F185 HydrophobicContact CG-CE2 3.57Å; R167-F185 HydrophobicContact CG-CZ 4.41Å; D170-F185 WeakPolarHBondContact OD2-CD2 3.18Å; D170-F185 PolarHBondContact OD2-N 3.24Å; L183-F185 WeakPolarHBondContact CB-O 3.35Å; F185-F187 PolarHBondContact O-N 3.25Å |
| 186 | P | 84.3 | Confident | 69.2 | Low | 117 Ų | 117 | 115.4 Ų | 115.4 | 76% | 0.76 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 128.9 | 166.9 | 28.4 | -32.2 | 0 | 0 | 0 | 108.5 | P188 | P186-P188 WeakPolarHBondContact O-CD 3.23Š|
| 187 | F | 68.3 | Low | 66.8 | Low | 132 Ų | 132 | 116.9 Ų | 116.9 | 58% | 0.579 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -68 | 124.2 | 174.9 | -139.4 | -102 | 0 | 0 | 0 | 108.2 | I174 L183 F185 | I174-F187 HydrophobicContact CD1-CD2 3.79Å; I174-F187 HydrophobicContact CD1-CE2 3.15Å; I174-F187 HydrophobicContact CD1-CZ 3.78Å; L183-F187 HydrophobicContact CD1-CD2 3.62Å; L183-F187 HydrophobicContact CD1-CE2 4.34Å; L183-F187 HydrophobicContact CD1-CG 4.48Å; F185-F187 PolarHBondContact O-N 3.25Å |
| 188 | P | 58.6 | Low | 65 | Low | 105 Ų | 105 | 116.2 Ų | 116.2 | 68% | 0.682 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -69.2 | 134 | 162.6 | 30.3 | -29.6 | 0 | 0 | 0 | 106.8 | P186 | P186-P188 WeakPolarHBondContact O-CD 3.23Š|
| 189 | E | 50.6 | Low | 62.9 | Low | 154 Ų | 154 | 120.3 Ų | 120.3 | 72% | 0.72 | 65% | 0.647 | S | S | * | * | trans | 75.1 | 91.7 | -177.8 | -131.8 | 70.2 | -143.4 | 0 | 0 | 114.6 | ||||
| 190 | Q | 43.7 | Very low | 61.1 | Low | 183 Ų | 183 | 118.4 Ų | 118.4 | 86% | 0.855 | 64% | 0.636 | S | S | * | * | -166.5 | 104.1 | 121 | -79.3 | -115.4 | -4.7 | 0 | 0 | 107.5 | T192 | Q190-T192 PolarHBondContact O-N 3.05Š| |||
| 191 | P | 40.2 | Very low | 59.3 | Low | 107 Ų | 107 | 115 Ų | 115 | 70% | 0.695 | 64% | 0.635 | S | S | * | * | trans | -61.6 | 132.8 | 171.6 | 25.7 | -30.5 | 0 | 0 | 0 | 109.1 | G193 | P191-G193 PolarHBondContact O-N 3.29Š| ||
| 192 | T | 37.4 | Very low | 57.2 | Low | 140 Ų | 140 | 117 Ų | 117 | 86% | 0.859 | 66% | 0.658 | S | S | * | * | trans | -42.4 | 103.5 | 173.6 | 45 | 0 | 0 | 0 | 0 | 112.8 | Q190 | Q190-T192 PolarHBondContact O-N 3.05Š| ||
| 193 | G | 37.3 | Very low | 55.2 | Low | 66 Ų | 66 | 118.6 Ų | 118.6 | 68% | 0.68 | 67% | 0.668 | S | S | * | * | trans | -90.8 | 99.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | P191 | P191-G193 PolarHBondContact O-N 3.29Š| ||
| 194 | H | 44.5 | Very low | 53.1 | Low | 169 Ų | 169 | 120.4 Ų | 120.4 | 78% | 0.782 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 162.3 | 102.9 | 152.1 | -86.5 | -66.8 | 0 | 0 | 0 | 108.8 | ||
| 195 | D | 44.8 | Very low | 51 | Low | 141 Ų | 141 | 123.8 Ų | 123.8 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 78.4 | 87.4 | 151.2 | -43.1 | -45 | 0 | 0 | 0 | 119.6 | ||
| 196 | E | 47 | Very low | 48.8 | Very low | 181 Ų | 181 | 125.4 Ų | 125.4 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | 159 | 138.5 | 118.8 | -89.7 | -78.8 | 94.4 | 0 | 0 | 112.2 | |||||
| 197 | P | 39.6 | Very low | 47 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 61% | 0.61 | 74% | 0.743 | S | S | * | * | trans | -93.7 | 154.1 | -173.1 | 37.6 | -31.4 | 0 | 0 | 0 | 112 | ||||
| 198 | I | 51.4 | Low | 46.1 | Very low | 154 Ų | 154 | 122.6 Ų | 122.6 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | 159.7 | 117.3 | 139.9 | -86 | 159.4 | 0 | 0 | 0 | 111.8 | ||||
| 199 | S | 45.8 | Very low | 45.8 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | 61.4 | 141.3 | 144.3 | -60.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 200 | S | 48.4 | Very low | 45.8 | Very low | 86 Ų | 86 | 127 Ų | 127 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | cis | 174.3 | 149.4 | -4.6 | 48.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 201 | N | 49.4 | Very low | 46.5 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | 83.3 | 129.7 | 162.8 | -49.8 | -9.3 | 0 | 0 | 0 | 116.3 | ||||
| 202 | G | 45.4 | Very low | 46.6 | Very low | 58 Ų | 58 | 126 Ų | 126 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | cis | 161.9 | 139.5 | 3.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 203 | E | 48.8 | Very low | 47.2 | Very low | 189 Ų | 189 | 125.9 Ų | 125.9 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | 64.7 | 138.6 | 144.5 | -74.2 | 145.3 | 88.4 | 0 | 0 | 119.9 | ||||
| 204 | A | 48.7 | Very low | 47.6 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | cis | -171.5 | 159.1 | 4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 205 | S | 48.1 | Very low | 47.8 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | 72.3 | 104.7 | 147.3 | -54.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 206 | A | 41.9 | Very low | 47.8 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 62.1 | 107.4 | 61.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 207 | A | 46.3 | Very low | 48 | Very low | 96 Ų | 96 | 122 Ų | 122 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | 151.5 | 136.3 | 111.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 208 | A | 50.3 | Low | 48.5 | Very low | 93 Ų | 93 | 123.3 Ų | 123.3 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 82.6 | 136.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 209 | R | 51.6 | Low | 48.1 | Very low | 239 Ų | 239 | 123.9 Ų | 123.9 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | cis | -163 | 152.1 | 23.1 | -55.5 | 174.8 | 95.3 | 158.5 | 0.4 | 109.9 | ||||
| 210 | S | 50.8 | Low | 48.1 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -47.5 | 153.2 | 175.5 | -44.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 211 | S | 58.4 | Low | 47.7 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | -177.8 | 136.7 | 111.3 | -69.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 212 | D | 43.3 | Very low | 47.5 | Very low | 148 Ų | 148 | 122.7 Ų | 122.7 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -86.1 | 120.7 | -174.8 | -171.3 | -1.6 | 0 | 0 | 0 | 110.3 | ||||
| 213 | T | 49 | Very low | 47.5 | Very low | 136 Ų | 136 | 127 Ų | 127 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -169.9 | 102 | 156.4 | -10.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 214 | T | 46.9 | Very low | 47.4 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -78.8 | 171.1 | 153 | 15.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 215 | P | 48.6 | Very low | 47.3 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | cis | -136 | 162.2 | -8.4 | 35.1 | -16.2 | 0 | 0 | 0 | 114.8 | ||||
| 216 | S | 44 | Very low | 46.8 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 172 | 139.3 | 130.4 | -81.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 217 | P | 51.7 | Low | 46.8 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -99.4 | 144.9 | -170.7 | 37.2 | -29.6 | 0 | 0 | 0 | 112.6 | ||||
| 218 | S | 49.1 | Very low | 46.1 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -130.5 | 108.8 | 171.7 | 40.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 219 | L | 44.3 | Very low | 45.5 | Very low | 167 Ų | 167 | 140 Ų | 140 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -18.7 | 138.2 | 157 | -65.2 | 152.4 | 0 | 0 | 0 | 118 | ||||
| 220 | C | 45.4 | Very low | 45.3 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 90% | 0.899 | 80% | 0.803 | S | S | * | * | trans | -129.7 | 120.9 | 142.5 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 221 | S | 40.4 | Very low | 44.4 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -86.1 | 154.2 | 179.8 | -64.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 222 | A | 44.2 | Very low | 43.3 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | 169.3 | 98.7 | 132.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 223 | D | 44.8 | Very low | 43.1 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | 86.5 | 136.2 | 74 | -73.8 | -50.4 | 0 | 0 | 0 | 114.7 | |||||
| 224 | A | 47.3 | Very low | 42.5 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | 81.9 | 130.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 225 | E | 46.3 | Very low | 42 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | cis | -164.7 | 143.8 | 0.2 | -170.2 | 82.6 | 104 | 0 | 0 | 108 | ||||
| 226 | E | 38.6 | Very low | 41.6 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -61 | 133 | 177.8 | -176 | -152.4 | 110.7 | 0 | 0 | 114.5 | ||||
| 227 | R | 40.5 | Very low | 41.5 | Very low | 240 Ų | 240 | 136.6 Ų | 136.6 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | trans | -160.6 | 99.5 | 146.1 | -163.7 | 157.7 | -74.9 | -109.4 | -2.5 | 113.4 | ||||
| 228 | G | 32.9 | Very low | 41.4 | Very low | 69 Ų | 69 | 138.3 Ų | 138.3 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | 78 | 74.6 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 229 | Q | 37.4 | Very low | 41.5 | Very low | 190 Ų | 190 | 135.9 Ų | 135.9 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -83.4 | 133.5 | 150.4 | -82.8 | 175.6 | -110.6 | 0 | 0 | 108.9 | E231 | Q229-E231 PolarHBondContact O-N 3.45Š| ||
| 230 | P | 46.9 | Very low | 41.9 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | trans | -70.1 | 104.5 | 168.8 | 28.5 | -29.3 | 0 | 0 | 0 | 108.2 | W232 | P230-W232 PolarHBondContact O-N 2.87Š| ||
| 231 | E | 33.3 | Very low | 42.4 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | -69.2 | 107.6 | 164.5 | -170.9 | 178.6 | 99.3 | 0 | 0 | 107.2 | Q229 | Q229-E231 PolarHBondContact O-N 3.45Š| ||
| 232 | W | 34.5 | Very low | 43.3 | Very low | 220 Ų | 220 | 129.7 Ų | 129.7 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | trans | -71.2 | 124.7 | 169.2 | -70.6 | 88.1 | 0 | 0 | 0 | 107.5 | P230 S234 | P230-W232 PolarHBondContact O-N 2.87Å; W232-S234 PolarHBondContact O-N 3.35Å | ||
| 233 | P | 38.5 | Very low | 44.5 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | trans | -67.6 | 108 | -173 | 24.5 | -30.8 | 0 | 0 | 0 | 109.9 | A235 | P233-A235 PolarHBondContact O-N 3.35Š| ||
| 234 | S | 37.5 | Very low | 45.8 | Very low | 131 Ų | 131 | 130 Ų | 130 | 92% | 0.916 | 72% | 0.721 | S | S | * | * | trans | -77.8 | 32.8 | 175.6 | -128.6 | 0 | 0 | 0 | 0 | 112.7 | W232 | W232-S234 PolarHBondContact O-N 3.35Š| ||
| 235 | A | 34.6 | Very low | 46.9 | Very low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -119.2 | 105 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P233 | P233-A235 PolarHBondContact O-N 3.35Š|
| 236 | G | 41 | Very low | 48.1 | Very low | 71 Ų | 71 | 129.7 Ų | 129.7 | 73% | 0.732 | 70% | 0.698 | S | S | * | * | trans | 105 | 19.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | E238 | G236-E238 PolarHBondContact O-N 3.31Š| ||
| 237 | Q | 42.8 | Very low | 50 | Low | 132 Ų | 132 | 123.6 Ų | 123.6 | 62% | 0.617 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -1.6 | -168.1 | -153.8 | 170.3 | 5 | 0 | 0 | 116.5 | A239 E241 | Q237-A239 PolarHBondContact O-N 3.21Å; Q237-E241 HydrophobicContact CG-CG 4.17Å; Q237-E241 WeakPolarHBondContact CG-OE2 3.33Å |
| 238 | E | 49.6 | Very low | 51.6 | Low | 165 Ų | 165 | 116.2 Ų | 116.2 | 77% | 0.771 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -78 | -26.6 | -172.4 | -64 | -116.6 | 104.2 | 0 | 0 | 113.7 | G236 Q242 | G236-E238 PolarHBondContact O-N 3.31Å; E238-Q242 PolarHBondContact O-NE2 3.5Å |
| 239 | A | 51.4 | Low | 53.5 | Low | 70 Ų | 70 | 117.3 Ų | 117.3 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -91.5 | -31 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q237 L243 | Q237-A239 PolarHBondContact O-N 3.21Å; A239-L243 PolarHBondContact O-N 3.05Å |
| 240 | G | 52.6 | Low | 55.3 | Low | 50 Ų | 50 | 112.6 Ų | 112.6 | 52% | 0.515 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -76.6 | -34.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | L244 | G240-L244 WeakPolarHBondContact O-CB 3.44Å; G240-L244 PolarHBondContact O-N 3.41Å |
| 241 | E | 55.1 | Low | 56.4 | Low | 96 Ų | 96 | 113.2 Ų | 113.2 | 45% | 0.449 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.8 | -38.9 | 175 | -86.5 | -176.2 | 99.8 | 0 | 0 | 111.7 | Q237 L244 W245 | Q237-E241 HydrophobicContact CG-CG 4.17Å; Q237-E241 WeakPolarHBondContact CG-OE2 3.33Å; E241-L244 PolarHBondContact O-N 2.85Å; E241-W245 PolarHBondContact O-N 2.98Å |
| 242 | Q | 59.3 | Low | 58.1 | Low | 124 Ų | 124 | 110.4 Ų | 110.4 | 58% | 0.579 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64 | -44.6 | 178.6 | -71.5 | 178.3 | 69.2 | 0 | 0 | 112.2 | E238 L244 W245 E246 | E238-Q242 PolarHBondContact O-NE2 3.5Å; Q242-L244 VanDerWaalsContact C-N 3.29Å; Q242-L244 PolarHBondContact O-N 3.25Å; Q242-W245 PolarHBondContact O-N 3.38Å; Q242-E246 WeakPolarHBondContact O-CB 3.45Å; Q242-E246 WeakPolarHBondContact O-CG 3.48Å; Q242-E246 PolarHBondContact O-N 3.31Å |
| 243 | L | 69.1 | Low | 59.8 | Low | 123 Ų | 123 | 107.4 Ų | 107.4 | 64% | 0.644 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.7 | -32 | 176.9 | -111.8 | 147.8 | 0 | 0 | 0 | 112.9 | A239 G247 | A239-L243 PolarHBondContact O-N 3.05Å; L243-G247 PolarHBondContact O-N 2.79Å |
| 244 | L | 72.7 | Confident | 60.9 | Low | 124 Ų | 124 | 108.9 Ų | 108.9 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -74.5 | -37.7 | 176.5 | -162 | 132.7 | 0 | 0 | 0 | 111.5 | G240 E241 Q242 L248 | G240-L244 WeakPolarHBondContact O-CB 3.44Å; G240-L244 PolarHBondContact O-N 3.41Å; E241-L244 PolarHBondContact O-N 2.85Å; Q242-L244 VanDerWaalsContact C-N 3.29Å; Q242-L244 PolarHBondContact O-N 3.25Å; L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 PolarHBondContact O-N 3.35Å |
| 245 | W | 70.5 | Confident | 61.8 | Low | 149 Ų | 149 | 109.7 Ų | 109.7 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.4 | -36.4 | 172.1 | -75.2 | 114.7 | 0 | 0 | 0 | 112.8 | E241 Q242 L248 Q249 | E241-W245 PolarHBondContact O-N 2.98Å; Q242-W245 PolarHBondContact O-N 3.38Å; W245-L248 HydrophobicContact CE3-CD2 4.44Å; W245-L248 HydrophobicContact CZ3-CD2 4.29Å; W245-Q249 PolarHBondContact O-N 2.96Å |
| 246 | E | 71.9 | Confident | 62.8 | Low | 118 Ų | 118 | 113.9 Ų | 113.9 | 55% | 0.551 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.3 | -44.2 | 172.8 | -76.2 | 177.8 | 146.5 | 0 | 0 | 111.5 | Q242 L248 Q249 D250 | Q242-E246 WeakPolarHBondContact O-CB 3.45Å; Q242-E246 WeakPolarHBondContact O-CG 3.48Å; Q242-E246 PolarHBondContact O-N 3.31Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.15Å; E246-Q249 PolarHBondContact O-N 3.22Å; E246-D250 PolarHBondContact O-N 3.32Å |
| 247 | G | 77.3 | Confident | 62.9 | Low | 42 Ų | 42 | 113.1 Ų | 113.1 | 43% | 0.433 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64 | -34.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L243 L251 | L243-G247 PolarHBondContact O-N 2.79Å; G247-L251 WeakPolarHBondContact O-CB 3.36Å; G247-L251 PolarHBondContact O-N 3.47Å |
| 248 | L | 74.6 | Confident | 62.9 | Low | 85 Ų | 85 | 114 Ų | 114 | 45% | 0.445 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73.2 | -33.1 | 175.3 | -152.9 | 79.4 | 0 | 0 | 0 | 112.1 | L244 W245 E246 M252 | L244-L248 WeakPolarHBondContact O-CB 3.39Å; L244-L248 PolarHBondContact O-N 3.35Å; W245-L248 HydrophobicContact CE3-CD2 4.44Å; W245-L248 HydrophobicContact CZ3-CD2 4.29Å; E246-L248 VanDerWaalsContact C-N 3.32Å; E246-L248 PolarHBondContact O-N 3.15Å; L248-M252 PolarHBondContact O-N 2.94Å; L248-M252 VanDerWaalsContact O-N 3.15Å |
| 249 | Q | 72.9 | Confident | 62.7 | Low | 93 Ų | 93 | 110.9 Ų | 110.9 | 44% | 0.435 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.2 | -38.5 | 172.3 | -84 | 177 | 43.9 | 0 | 0 | 112.4 | W245 E246 L251 M252 R253 | W245-Q249 PolarHBondContact O-N 2.96Å; E246-Q249 PolarHBondContact O-N 3.22Å; Q249-L251 VanDerWaalsContact C-N 3.34Å; Q249-M252 HydrophobicContact CG-CE 4.29Å; Q249-M252 PolarHBondContact O-N 2.98Å; Q249-R253 WeakPolarHBondContact O-CG 3.47Å; Q249-R253 PolarHBondContact O-N 3.06Å |
| 250 | D | 75.4 | Confident | 62.6 | Low | 91 Ų | 91 | 118.1 Ų | 118.1 | 49% | 0.487 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.2 | -37.1 | 173.7 | -90.7 | -1.9 | 0 | 0 | 0 | 111.9 | E246 M252 R253 L254 | E246-D250 PolarHBondContact O-N 3.32Å; D250-M252 VanDerWaalsContact C-N 3.35Å; D250-M252 PolarHBondContact O-N 3.2Å; D250-R253 PolarHBondContact O-N 3.43Å; D250-R253 IonicContact OD1-NH1 3.71Å; D250-L254 VanDerWaalsContact O-CG 3.28Å; D250-L254 WeakPolarHBondContact O-CG 3.28Å; D250-L254 PolarHBondContact O-N 3.04Å |
| 251 | L | 69.3 | Low | 62.2 | Low | 118 Ų | 118 | 122.8 Ų | 122.8 | 62% | 0.618 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.3 | -36.9 | 174.6 | -169.3 | 63.3 | 0 | 0 | 0 | 112.5 | G247 Q249 | G247-L251 WeakPolarHBondContact O-CB 3.36Å; G247-L251 PolarHBondContact O-N 3.47Å; Q249-L251 VanDerWaalsContact C-N 3.34Å |
| 252 | M | 69.8 | Low | 61.9 | Low | 122 Ų | 122 | 126.1 Ų | 126.1 | 60% | 0.601 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.9 | -29.4 | 173 | -72.4 | -170.6 | -62.5 | 0 | 0 | 112.9 | L248 Q249 D250 | L248-M252 PolarHBondContact O-N 2.94Å; L248-M252 VanDerWaalsContact O-N 3.15Å; Q249-M252 HydrophobicContact CG-CE 4.29Å; Q249-M252 PolarHBondContact O-N 2.98Å; D250-M252 VanDerWaalsContact C-N 3.35Å; D250-M252 PolarHBondContact O-N 3.2Å |
| 253 | R | 70 | Confident | 61.6 | Low | 157 Ų | 157 | 126.5 Ų | 126.5 | 59% | 0.592 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.1 | -26.1 | 174.4 | -76.6 | 176.6 | 178.6 | 137.9 | 3.9 | 113.1 | Q249 D250 D255 | Q249-R253 WeakPolarHBondContact O-CG 3.47Å; Q249-R253 PolarHBondContact O-N 3.06Å; D250-R253 PolarHBondContact O-N 3.43Å; D250-R253 IonicContact OD1-NH1 3.71Å; R253-D255 VanDerWaalsContact C-N 3.35Å |
| 254 | L | 61.4 | Low | 60.6 | Low | 135 Ų | 135 | 124.6 Ų | 124.6 | 71% | 0.707 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.6 | -17.9 | 177.9 | -72.8 | 169.1 | 0 | 0 | 0 | 113.5 | D250 E256 | D250-L254 VanDerWaalsContact O-CG 3.28Å; D250-L254 WeakPolarHBondContact O-CG 3.28Å; D250-L254 PolarHBondContact O-N 3.04Å; L254-E256 VanDerWaalsContact C-N 3.32Å |
| 255 | D | 57 | Low | 59.3 | Low | 149 Ų | 149 | 124.3 Ų | 124.3 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -12.2 | 176.4 | -153.6 | 67.9 | 0 | 0 | 0 | 112.8 | R253 G257 | R253-D255 VanDerWaalsContact C-N 3.35Å; D255-G257 VanDerWaalsContact C-N 3.25Å; D255-G257 PolarHBondContact O-N 2.92Å |
| 256 | E | 54.7 | Low | 58 | Low | 178 Ų | 178 | 122.4 Ų | 122.4 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 16.9 | 179.7 | -55 | -152.6 | 115.6 | 0 | 0 | 113.6 | L254 | L254-E256 VanDerWaalsContact C-N 3.32Š|
| 257 | G | 44.3 | Very low | 56.8 | Low | 55 Ų | 55 | 121.2 Ų | 121.2 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -142.5 | 28.6 | -163 | 0 | 0 | 0 | 0 | 0 | 118.1 | D255 | D255-G257 VanDerWaalsContact C-N 3.25Å; D255-G257 PolarHBondContact O-N 2.92Å |
| 258 | E | 41.9 | Very low | 55.4 | Low | 149 Ų | 149 | 131.9 Ų | 131.9 | 70% | 0.696 | 70% | 0.701 | S | S | * | * | trans | -147.9 | 101 | 157.7 | -99.9 | -145.5 | 101.1 | 0 | 0 | 111.5 | W260 | E258-W260 PolarHBondContact O-N 3.12Å; E258-W260 VanDerWaalsContact O-N 3.12Å | ||
| 259 | P | 44.8 | Very low | 54.1 | Low | 101 Ų | 101 | 139.1 Ų | 139.1 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | -70.5 | 110.1 | 164.6 | 23 | -15.6 | 0 | 0 | 0 | 106.7 | L261 | P259-L261 HydrophobicContact CB-CG 4.34Å; P259-L261 PolarHBondContact O-N 2.82Å | ||
| 260 | W | 49.7 | Very low | 53.2 | Low | 222 Ų | 222 | 141.4 Ų | 141.4 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | -57.3 | 74.2 | 165 | -65.1 | 92.7 | 0 | 0 | 0 | 109.9 | E258 H262 | E258-W260 PolarHBondContact O-N 3.12Å; E258-W260 VanDerWaalsContact O-N 3.12Å; W260-H262 PolarHBondContact O-N 3.14Å; W260-H262 VanDerWaalsContact O-N 3.14Å | ||
| 261 | L | 43.7 | Very low | 52 | Low | 148 Ų | 148 | 144.1 Ų | 144.1 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -78.1 | 95.6 | 169.7 | -76 | 170.3 | 0 | 0 | 0 | 106.5 | P259 | P259-L261 HydrophobicContact CB-CG 4.34Å; P259-L261 PolarHBondContact O-N 2.82Å | ||
| 262 | H | 49.7 | Very low | 51.1 | Low | 166 Ų | 166 | 145.5 Ų | 145.5 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -33.4 | 132 | 157.9 | -67.2 | -95.6 | 0 | 0 | 0 | 110.9 | W260 A264 | W260-H262 PolarHBondContact O-N 3.14Å; W260-H262 VanDerWaalsContact O-N 3.14Å; H262-A264 VanDerWaalsContact C-N 3.27Å; H262-A264 PolarHBondContact O-N 2.66Å | ||
| 263 | P | 53.2 | Low | 50 | Low | 132 Ų | 132 | 146.9 Ų | 146.9 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -66.3 | 97.6 | 163.5 | 27.1 | -29.6 | 0 | 0 | 0 | 107.2 | S265 | P263-S265 PolarHBondContact O-N 3.23Š| ||
| 264 | A | 48.1 | Very low | 48.7 | Very low | 82 Ų | 82 | 146.3 Ų | 146.3 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -57.8 | 127 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | H262 S266 | H262-A264 VanDerWaalsContact C-N 3.27Å; H262-A264 PolarHBondContact O-N 2.66Å; A264-S266 PolarHBondContact O-N 3.33Å | ||
| 265 | S | 44.1 | Very low | 47.9 | Very low | 118 Ų | 118 | 147 Ų | 147 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -37 | 116.4 | 167.1 | 55.5 | 0 | 0 | 0 | 0 | 112.9 | P263 | P263-S265 PolarHBondContact O-N 3.23Š| ||
| 266 | S | 43.8 | Very low | 47.2 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -167 | 134.8 | 156.3 | 37.5 | 0 | 0 | 0 | 0 | 111.1 | A264 | A264-S266 PolarHBondContact O-N 3.33Š| ||
| 267 | A | 47.1 | Very low | 46.6 | Very low | 92 Ų | 92 | 144.5 Ų | 144.5 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | 82.6 | 82.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 268 | W | 47.1 | Very low | 46.8 | Very low | 267 Ų | 267 | 151.9 Ų | 151.9 | 100% | 1.011 | 83% | 0.825 | S | S | * | * | trans | -126.1 | 97.3 | 139.4 | -68.4 | 69.2 | 0 | 0 | 0 | 107.4 | ||||
| 269 | N | 48.6 | Very low | 47.3 | Very low | 236 Ų | 236 | 152.2 Ų | 152.2 | 100% | 1.262 | 84% | 0.837 | S | S | * | * | trans | -146.7 | 0 | 154.1 | -154.4 | 21.1 | 0 | 0 | 0 | 106.3 |
Retrieved 269 of 269 residues in 121.1 ms
(Link to these results)