| 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 | 42.7 | Very low | 41.9 | Very low | 245 Ų | 245 | 165.3 Ų | 165.3 | 100% | 1.207 | 81% | 0.814 | S | S | * | * | 0 | 133.6 | 0 | -138 | 153.9 | -178.6 | 0 | 0 | 105.9 | |||||
| 2 | E | 46.4 | Very low | 41.8 | Very low | 169 Ų | 169 | 165.9 Ų | 165.9 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | 77.8 | 137.3 | -146.5 | -78.5 | -114 | 87.8 | 0 | 0 | 113.6 | R4 | E2-R4 PolarHBondContact OE1-N 3.42Å; E2-R4 VanDerWaalsContact OE1-N 3.12Å | ||
| 3 | P | 46.2 | Very low | 42 | Very low | 113 Ų | 113 | 161.5 Ų | 161.5 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | cis | -139.1 | 155.2 | 46.1 | 41.3 | -23.3 | 0 | 0 | 0 | 118.2 | ||||
| 4 | R | 35.9 | Very low | 41.9 | Very low | 179 Ų | 179 | 159.2 Ų | 159.2 | 68% | 0.675 | 82% | 0.819 | S | S | * | * | 65.9 | 100.5 | 126 | -166.6 | 176.8 | -177.4 | 147.6 | -0.9 | 118.2 | E2 E6 | E2-R4 PolarHBondContact OE1-N 3.42Å; E2-R4 VanDerWaalsContact OE1-N 3.12Å; R4-E6 HydrophobicContact CG-CG 4.41Å; R4-E6 IonicContact CZ-OE1 2.76Å; R4-E6 VanDerWaalsContact CZ-OE1 3.25Å; R4-E6 IonicContact NE-OE1 3.72Å; R4-E6 PolarHBondContact NE-OE1 3.17Å; R4-E6 IonicContact NE-OE2 3.19Å; R4-E6 IonicContact NH2-OE1 2.91Å; R4-E6 PolarHBondContact NH2-OE1 3.49Å | |||
| 5 | M | 39.5 | Very low | 41.8 | Very low | 200 Ų | 200 | 160.5 Ų | 160.5 | 99% | 0.985 | 83% | 0.826 | S | S | * | * | trans | -96.5 | 107.1 | 158.8 | -65.7 | -149.5 | 176.3 | 0 | 0 | 110 | ||||
| 6 | E | 44.9 | Very low | 42.2 | Very low | 137 Ų | 137 | 162.3 Ų | 162.3 | 64% | 0.64 | 83% | 0.83 | S | S | * | * | trans | -78.9 | 135.7 | 173.7 | -102.1 | 152.7 | 170.7 | 0 | 0 | 111.5 | R4 | R4-E6 HydrophobicContact CG-CG 4.41Å; R4-E6 IonicContact CZ-OE1 2.76Å; R4-E6 VanDerWaalsContact CZ-OE1 3.25Å; R4-E6 IonicContact NE-OE1 3.72Å; R4-E6 PolarHBondContact NE-OE1 3.17Å; R4-E6 IonicContact NE-OE2 3.19Å; R4-E6 IonicContact NH2-OE1 2.91Å; R4-E6 PolarHBondContact NH2-OE1 3.49Å | ||
| 7 | N | 42.6 | Very low | 42.3 | Very low | 148 Ų | 148 | 163.3 Ų | 163.3 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | trans | -49.6 | 126.5 | 167.2 | -166 | 7.7 | 0 | 0 | 0 | 111.7 | ||||
| 8 | R | 45.2 | Very low | 42.2 | Very low | 236 Ų | 236 | 160.8 Ų | 160.8 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | trans | -142.6 | 100.6 | 159.9 | -151.4 | 172.2 | -177 | 175.5 | 0.4 | 112 | ||||
| 9 | V | 42.1 | Very low | 42.1 | Very low | 124 Ų | 124 | 157.4 Ų | 157.4 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -59 | 139.9 | 162.5 | 176 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 10 | G | 38.6 | Very low | 42.4 | Very low | 54 Ų | 54 | 154.7 Ų | 154.7 | 56% | 0.557 | 82% | 0.824 | S | S | * | * | trans | 95.3 | 112.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 11 | F | 36.9 | Very low | 42.6 | Very low | 213 Ų | 213 | 156.5 Ų | 156.5 | 93% | 0.934 | 83% | 0.827 | S | S | * | * | -167.9 | 90.2 | 118.9 | -96.1 | -72.9 | 0 | 0 | 0 | 107.3 | |||||
| 12 | L | 40.4 | Very low | 43.1 | Very low | 173 Ų | 173 | 151 Ų | 151 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 122.2 | 165.9 | -70 | 168.6 | 0 | 0 | 0 | 107.2 | ||
| 13 | S | 44.4 | Very low | 43 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 139.2 | 172.1 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | L15 | S13-L15 PolarHBondContact O-N 3.38Š|
| 14 | P | 41.1 | Very low | 43.6 | Very low | 129 Ų | 129 | 153.9 Ų | 153.9 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 125.7 | 171.1 | -13.8 | 29.1 | 0 | 0 | 0 | 110.2 | E16 | P14-E16 PolarHBondContact O-N 3.03Š|
| 15 | L | 39.7 | Very low | 44 | Very low | 178 Ų | 178 | 150.9 Ų | 150.9 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | -77.6 | 110.7 | 164.7 | -80.8 | 165.2 | 0 | 0 | 0 | 107.8 | S13 E17 | S13-L15 PolarHBondContact O-N 3.38Å; L15-E17 PolarHBondContact O-N 2.98Å | ||
| 16 | E | 48 | Very low | 44.4 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -70.2 | 114.5 | 165 | -104.2 | -178.8 | 106.9 | 0 | 0 | 109.1 | P14 | P14-E16 PolarHBondContact O-N 3.03Š| ||
| 17 | E | 44.7 | Very low | 44.8 | Very low | 179 Ų | 179 | 143.3 Ų | 143.3 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -66.6 | 121.5 | 159.3 | -176.5 | -178.2 | 173 | 0 | 0 | 108.3 | L15 | L15-E17 PolarHBondContact O-N 2.98Š| ||
| 18 | S | 40.8 | Very low | 44.9 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -143.4 | 124.4 | 161.3 | -166.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 19 | S | 39.7 | Very low | 45.1 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 156 | -165.5 | -61.9 | 0 | 0 | 0 | 0 | 114 | E21 | S19-E21 PolarHBondContact O-N 2.9Š| ||
| 20 | A | 49 | Very low | 45.2 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -55.1 | 125.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 21 | E | 46.5 | Very low | 45.7 | Very low | 192 Ų | 192 | 142.6 Ų | 142.6 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -106.9 | 116.6 | 156.9 | -73.9 | -163.2 | 116.7 | 0 | 0 | 109.6 | S19 S23 | S19-E21 PolarHBondContact O-N 2.9Å; E21-S23 PolarHBondContact O-N 2.99Å | ||
| 22 | V | 51.9 | Low | 46.2 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -76.2 | 93.2 | 171.3 | 53.8 | 0 | 0 | 0 | 0 | 108.5 | R24 | V22-R24 HydrophobicContact CG2-CG 4.42Å; V22-R24 PolarHBondContact O-N 3.34Å | ||
| 23 | S | 44.3 | Very low | 46.4 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -89.5 | 101 | 169.3 | -155.9 | 0 | 0 | 0 | 0 | 109.7 | E21 D25 | E21-S23 PolarHBondContact O-N 2.99Å; S23-D25 PolarHBondContact O-N 3.38Å | ||
| 24 | R | 59.9 | Low | 46.2 | Very low | 235 Ų | 235 | 134.4 Ų | 134.4 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -80.5 | 93.1 | 161.1 | -73.4 | 179.2 | 170.6 | 144.3 | -1.6 | 106.7 | V22 | V22-R24 HydrophobicContact CG2-CG 4.42Å; V22-R24 PolarHBondContact O-N 3.34Å | ||
| 25 | D | 44.5 | Very low | 46.4 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | trans | -128.9 | 102.1 | 170.8 | -162 | 21.4 | 0 | 0 | 0 | 111.4 | S23 | S23-D25 PolarHBondContact O-N 3.38Š| ||
| 26 | S | 47.5 | Very low | 46.5 | Very low | 89 Ų | 89 | 133 Ų | 133 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | trans | 27.5 | 118.3 | 135.8 | -34.2 | 0 | 0 | 0 | 0 | 117.3 | F28 | S26-F28 PolarHBondContact O-N 3.1Š| ||
| 27 | G | 53.3 | Low | 46.4 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 92% | 0.918 | 78% | 0.777 | S | S | * | * | trans | -53.2 | 115.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 28 | F | 44.9 | Very low | 46.5 | Very low | 153 Ų | 153 | 128.3 Ų | 128.3 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | trans | -124.2 | 114.7 | 149.6 | 74.6 | -82.5 | 0 | 0 | 0 | 107.2 | S26 S30 | S26-F28 PolarHBondContact O-N 3.1Å; F28-S30 VanDerWaalsContact CE2-OG 3.23Å; F28-S30 WeakPolarHBondContact CE2-OG 3.41Å; F28-S30 PolarHBondContact O-N 3.13Å; F28-S30 VanDerWaalsContact O-N 3.15Å | ||
| 29 | V | 49.3 | Very low | 46.5 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -70.1 | 104.1 | 168.6 | 170.6 | 0 | 0 | 0 | 0 | 105.9 | Q31 | V29-Q31 VanDerWaalsContact C-N 3.31Å; V29-Q31 HydrophobicContact CG1-CG 4.28Å; V29-Q31 PolarHBondContact O-N 3.24Å | ||
| 30 | S | 44.5 | Very low | 46.9 | Very low | 92 Ų | 92 | 131.3 Ų | 131.3 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -66 | 95.5 | 165.4 | -88.1 | 0 | 0 | 0 | 0 | 108.4 | F28 S32 | F28-S30 VanDerWaalsContact CE2-OG 3.23Å; F28-S30 WeakPolarHBondContact CE2-OG 3.41Å; F28-S30 PolarHBondContact O-N 3.13Å; F28-S30 VanDerWaalsContact O-N 3.15Å; S30-S32 PolarHBondContact O-N 3.29Å | ||
| 31 | Q | 48.7 | Very low | 46.7 | Very low | 173 Ų | 173 | 135 Ų | 135 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | -63.1 | 121.5 | 167.8 | -65.3 | -178.9 | 2.1 | 0 | 0 | 108.1 | V29 A33 | V29-Q31 VanDerWaalsContact C-N 3.31Å; V29-Q31 HydrophobicContact CG1-CG 4.28Å; V29-Q31 PolarHBondContact O-N 3.24Å; Q31-A33 PolarHBondContact O-N 2.82Å; Q31-A33 VanDerWaalsContact O-N 3.13Å | ||
| 32 | S | 46.7 | Very low | 46.6 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -63 | 112.4 | 171.2 | -48 | 0 | 0 | 0 | 0 | 108.7 | S30 S34 | S30-S32 PolarHBondContact O-N 3.29Å; S32-S34 PolarHBondContact O-N 2.91Å | ||
| 33 | A | 45.6 | Very low | 46.1 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -73.4 | 93.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q31 S35 | Q31-A33 PolarHBondContact O-N 2.82Å; Q31-A33 VanDerWaalsContact O-N 3.13Å; A33-S35 PolarHBondContact O-N 2.76Å | ||
| 34 | S | 38.8 | Very low | 46.5 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -75.6 | 107.6 | 159 | -78.4 | 0 | 0 | 0 | 0 | 108.3 | S32 L36 | S32-S34 PolarHBondContact O-N 2.91Å; S34-L36 PolarHBondContact O-N 3.14Å | ||
| 35 | S | 45.6 | Very low | 45.9 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -68.9 | 91.4 | 170 | 48.2 | 0 | 0 | 0 | 0 | 110.3 | A33 | A33-S35 PolarHBondContact O-N 2.76Š| ||
| 36 | L | 42 | Very low | 46.3 | Very low | 159 Ų | 159 | 124.9 Ų | 124.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -110.3 | 102.1 | 156.7 | -93.5 | 166.7 | 0 | 0 | 0 | 108.1 | S34 M38 | S34-L36 PolarHBondContact O-N 3.14Å; L36-M38 PolarHBondContact O-N 3.4Å | ||
| 37 | S | 47.2 | Very low | 46.3 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -74.3 | 103.7 | 170.5 | 166.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 38 | M | 45.2 | Very low | 46.2 | Very low | 171 Ų | 171 | 128.6 Ų | 128.6 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | -135.4 | 79.3 | 154.8 | -77.9 | -68.3 | 171.5 | 0 | 0 | 107.6 | L36 S40 | L36-M38 PolarHBondContact O-N 3.4Å; M38-S40 PolarHBondContact O-N 3.24Å | ||
| 39 | L | 42.3 | Very low | 46.2 | Very low | 158 Ų | 158 | 126.4 Ų | 126.4 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -75.4 | 104.6 | 165.2 | -71.1 | 174.9 | 0 | 0 | 0 | 108 | ||||
| 40 | S | 48.1 | Very low | 46.1 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | -117.3 | 84.2 | 156.6 | -72.9 | 0 | 0 | 0 | 0 | 107.8 | M38 | M38-S40 PolarHBondContact O-N 3.24Š| ||
| 41 | E | 44.1 | Very low | 46.1 | Very low | 180 Ų | 180 | 128.8 Ų | 128.8 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -132.1 | 78.3 | 166.3 | -154.8 | 168.5 | 166.1 | 0 | 0 | 108.1 | ||||
| 42 | A | 43.3 | Very low | 46 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -103.2 | 92.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 43 | L | 42.4 | Very low | 46 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | 25.3 | 108.4 | 144.3 | -59.7 | 172.1 | 0 | 0 | 0 | 116.5 | S45 | L43-S45 PolarHBondContact O-N 3.05Š| ||
| 44 | S | 53.1 | Low | 46 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -21.1 | 103.4 | 134.4 | -177.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 45 | S | 46.4 | Very low | 46 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | -145.4 | 108.2 | 151.5 | -121.9 | 0 | 0 | 0 | 0 | 106.6 | L43 T47 | L43-S45 PolarHBondContact O-N 3.05Å; S45-T47 PolarHBondContact O-N 3.12Å | ||
| 46 | G | 53.3 | Low | 46 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -61.9 | 117.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 47 | T | 48.5 | Very low | 45.9 | Very low | 127 Ų | 127 | 123.9 Ų | 123.9 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -128 | 104.2 | 143.5 | 57.8 | 0 | 0 | 0 | 0 | 106.8 | S45 S49 | S45-T47 PolarHBondContact O-N 3.12Å; T47-S49 VanDerWaalsContact C-N 3.32Å; T47-S49 PolarHBondContact O-N 3.27Å | ||
| 48 | V | 51.3 | Low | 45.9 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | -66.6 | 101 | 161.3 | 174.1 | 0 | 0 | 0 | 0 | 104.8 | Q50 | V48-Q50 VanDerWaalsContact C-N 3.27Å; V48-Q50 PolarHBondContact O-N 3.23Å | ||
| 49 | S | 43.3 | Very low | 45.7 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -62.2 | 99.1 | 165.4 | -87.5 | 0 | 0 | 0 | 0 | 107.1 | T47 S51 | T47-S49 VanDerWaalsContact C-N 3.32Å; T47-S49 PolarHBondContact O-N 3.27Å; S49-S51 PolarHBondContact O-N 2.65Å | ||
| 50 | Q | 47.8 | Very low | 46.1 | Very low | 174 Ų | 174 | 123 Ų | 123 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -61 | 94.4 | 161.7 | -71.4 | -101.5 | -2.1 | 0 | 0 | 106.4 | V48 | V48-Q50 VanDerWaalsContact C-N 3.27Å; V48-Q50 PolarHBondContact O-N 3.23Å | ||
| 51 | S | 44.8 | Very low | 45.8 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | -52.1 | 133.5 | 159.4 | -40.5 | 0 | 0 | 0 | 0 | 106.9 | S49 S53 | S49-S51 PolarHBondContact O-N 2.65Å; S51-S53 VanDerWaalsContact C-N 3.3Å; S51-S53 PolarHBondContact O-N 3.4Å | ||
| 52 | P | 46.1 | Very low | 45.5 | Very low | 126 Ų | 126 | 118.3 Ų | 118.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -63 | 104.3 | 165.8 | 26.6 | -28.4 | 0 | 0 | 0 | 105.6 | F54 | P52-F54 VanDerWaalsContact C-N 3.3Å; P52-F54 PolarHBondContact O-N 2.9Å | ||
| 53 | S | 47.3 | Very low | 45.8 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -54.2 | 106.5 | 159 | 178.9 | 0 | 0 | 0 | 0 | 104.6 | S51 G55 | S51-S53 VanDerWaalsContact C-N 3.3Å; S51-S53 PolarHBondContact O-N 3.4Å; S53-G55 PolarHBondContact O-N 3.04Å | ||
| 54 | F | 44.6 | Very low | 45.4 | Very low | 200 Ų | 200 | 120.2 Ų | 120.2 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -63.1 | 95.9 | 165 | -164.5 | -97.3 | 0 | 0 | 0 | 103.9 | P52 A56 | P52-F54 VanDerWaalsContact C-N 3.3Å; P52-F54 PolarHBondContact O-N 2.9Å; F54-A56 PolarHBondContact O-N 3.36Å | ||
| 55 | G | 39.2 | Very low | 44.9 | Very low | 53 Ų | 53 | 119.9 Ų | 119.9 | 55% | 0.546 | 76% | 0.761 | S | S | . | * | trans | -53.8 | 109.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | S53 A57 | S53-G55 PolarHBondContact O-N 3.04Å; G55-A57 PolarHBondContact O-N 3.33Å | ||
| 56 | A | 45.9 | Very low | 45.5 | Very low | 92 Ų | 92 | 120.7 Ų | 120.7 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | -57.1 | 92.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | F54 V58 | F54-A56 PolarHBondContact O-N 3.36Å; A56-V58 PolarHBondContact O-N 2.88Å | ||
| 57 | A | 39.3 | Very low | 45.2 | Very low | 89 Ų | 89 | 121.1 Ų | 121.1 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -61.4 | 94 | 160.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | G55 S59 | G55-A57 PolarHBondContact O-N 3.33Å; A57-S59 PolarHBondContact O-N 3.34Å | ||
| 58 | V | 47.4 | Very low | 45.5 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | trans | -62.8 | 90.7 | 164.2 | 73 | 0 | 0 | 0 | 0 | 105.6 | A56 Q60 | A56-V58 PolarHBondContact O-N 2.88Å; V58-Q60 VanDerWaalsContact C-N 3.28Å; V58-Q60 PolarHBondContact O-N 2.85Å | ||
| 59 | S | 41.8 | Very low | 45.6 | Very low | 104 Ų | 104 | 121.8 Ų | 121.8 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -65.4 | 99 | 165.3 | -74.4 | 0 | 0 | 0 | 0 | 106.2 | A57 S61 | A57-S59 PolarHBondContact O-N 3.34Å; S59-S61 PolarHBondContact O-N 3.21Å; S59-S61 VanDerWaalsContact O-N 3.1Å | ||
| 60 | Q | 49.4 | Very low | 46.1 | Very low | 185 Ų | 185 | 121.5 Ų | 121.5 | 86% | 0.864 | 75% | 0.747 | S | S | * | * | trans | -58.8 | 109 | 159.2 | -69.6 | 178 | 15.9 | 0 | 0 | 107.3 | V58 | V58-Q60 VanDerWaalsContact C-N 3.28Å; V58-Q60 PolarHBondContact O-N 2.85Å | ||
| 61 | S | 41.9 | Very low | 46.6 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | trans | -128.4 | 113 | 157.1 | 47.2 | 0 | 0 | 0 | 0 | 109.7 | S59 | S59-S61 PolarHBondContact O-N 3.21Å; S59-S61 VanDerWaalsContact O-N 3.1Å | ||
| 62 | A | 39.1 | Very low | 47.4 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | 14.7 | 123.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | F64 | A62-F64 PolarHBondContact O-N 2.92Š| ||
| 63 | S | 48.8 | Very low | 48.2 | Very low | 118 Ų | 118 | 119 Ų | 119 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | trans | -31 | 124 | 148 | 172 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 64 | F | 35.1 | Very low | 49.5 | Very low | 173 Ų | 173 | 117.8 Ų | 117.8 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | 165.2 | 130.8 | 121 | -166.9 | -127.8 | 0 | 0 | 0 | 110.2 | A62 | A62-F64 PolarHBondContact O-N 2.92Š| |||
| 65 | N | 42.6 | Very low | 51.2 | Low | 117 Ų | 117 | 114 Ų | 114 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | trans | 80 | 134.3 | 161 | -63.1 | -10.7 | 0 | 0 | 0 | 121.3 | A67 | N65-A67 PolarHBondContact O-N 3.18Š| ||
| 66 | S | 57.9 | Low | 53.4 | Low | 130 Ų | 130 | 117.8 Ų | 117.8 | 91% | 0.909 | 70% | 0.699 | S | S | * | * | trans | -39.9 | 119.1 | 162.9 | -49.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 67 | A | 46.3 | Very low | 55.4 | Low | 88 Ų | 88 | 117.1 Ų | 117.1 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | trans | -168 | 121.7 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | N65 | N65-A67 PolarHBondContact O-N 3.18Š| ||
| 68 | E | 55 | Low | 57.8 | Low | 176 Ų | 176 | 117.9 Ų | 117.9 | 82% | 0.822 | 67% | 0.671 | S | S | * | * | trans | 43.6 | 135.1 | 144.6 | -58.8 | -64.6 | 115.5 | 0 | 0 | 121.2 | D70 | E68-D70 PolarHBondContact O-N 3.43Š| ||
| 69 | P | 53.3 | Low | 60 | Low | 95 Ų | 95 | 116.6 Ų | 116.6 | 62% | 0.617 | 66% | 0.659 | S | S | * | * | trans | -65.9 | 124.4 | 175.9 | 27.5 | -30.5 | 0 | 0 | 0 | 111.1 | P71 | P69-P71 WeakPolarHBondContact O-CD 3.27Š| ||
| 70 | D | 54 | Low | 62.4 | Low | 101 Ų | 101 | 117.2 Ų | 117.2 | 54% | 0.54 | 65% | 0.654 | S | S | . | * | trans | -64.8 | 118.3 | 173.2 | -156.7 | -10.7 | 0 | 0 | 0 | 109.3 | E68 D72 N74 | E68-D70 PolarHBondContact O-N 3.43Å; D70-D72 VanDerWaalsContact C-N 3.32Å; D70-D72 PolarHBondContact O-N 3.32Å; D70-N74 PolarHBondContact O-ND2 3.05Å | ||
| 71 | P | 59.8 | Low | 64.5 | Low | 97 Ų | 97 | 115.2 Ų | 115.2 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.2 | -24.6 | -170 | 24.3 | -33.6 | 0 | 0 | 0 | 114.1 | P69 Q75 | P69-P71 WeakPolarHBondContact O-CD 3.27Å; P71-Q75 PolarHBondContact O-N 2.85Å |
| 72 | D | 60.1 | Low | 67 | Low | 123 Ų | 123 | 115.9 Ų | 115.9 | 66% | 0.658 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.5 | -40 | -173.7 | -104.8 | -9.8 | 0 | 0 | 0 | 113.5 | D70 N74 Q75 E76 | D70-D72 VanDerWaalsContact C-N 3.32Å; D70-D72 PolarHBondContact O-N 3.32Å; D72-N74 VanDerWaalsContact C-N 3.29Å; D72-N74 PolarHBondContact O-N 2.79Å; D72-Q75 WeakPolarHBondContact O-CB 3.31Å; D72-Q75 PolarHBondContact O-N 3.5Å; D72-Q75 VanDerWaalsContact O-N 3.15Å; D72-E76 PolarHBondContact O-N 3.44Å |
| 73 | H | 63.8 | Low | 69.6 | Low | 123 Ų | 123 | 114 Ų | 114 | 57% | 0.569 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.8 | -30.2 | 176.6 | -77 | -57.8 | 0 | 0 | 0 | 112.9 | Q75 D77 | H73-Q75 VanDerWaalsContact C-N 3.28Å; H73-Q75 PolarHBondContact O-N 2.84Å; H73-D77 PolarHBondContact O-N 3.34Å |
| 74 | N | 74.3 | Confident | 71.8 | Confident | 85 Ų | 85 | 111 Ų | 111 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.9 | -30.2 | 174 | -74 | -55.7 | 0 | 0 | 0 | 112.1 | D70 D72 E78 | D70-N74 PolarHBondContact O-ND2 3.05Å; D72-N74 VanDerWaalsContact C-N 3.29Å; D72-N74 PolarHBondContact O-N 2.79Å; N74-E78 VanDerWaalsContact O-CB 3.27Å; N74-E78 WeakPolarHBondContact O-CB 3.3Å; N74-E78 PolarHBondContact O-N 3.23Å; N74-E78 VanDerWaalsContact O-N 3.1Å |
| 75 | Q | 80.6 | Confident | 74.6 | Confident | 120 Ų | 120 | 108.2 Ų | 108.2 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.9 | -44.6 | 179.3 | -170 | 88.9 | 53.2 | 0 | 0 | 111.5 | P71 D72 H73 E78 I79 | P71-Q75 PolarHBondContact O-N 2.85Å; D72-Q75 WeakPolarHBondContact O-CB 3.31Å; D72-Q75 PolarHBondContact O-N 3.5Å; D72-Q75 VanDerWaalsContact O-N 3.15Å; H73-Q75 VanDerWaalsContact C-N 3.28Å; H73-Q75 PolarHBondContact O-N 2.84Å; Q75-E78 PolarHBondContact O-N 2.91Å; Q75-I79 HydrophobicContact CG-CD1 4.25Å; Q75-I79 VanDerWaalsContact O-CG1 3.27Å; Q75-I79 WeakPolarHBondContact O-CG1 3.41Å; Q75-I79 PolarHBondContact O-N 3.25Å |
| 76 | E | 85.8 | Confident | 76.9 | Confident | 132 Ų | 132 | 104.8 Ų | 104.8 | 62% | 0.617 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.4 | -44.5 | 178.3 | -68.1 | -175.7 | 161.1 | 0 | 0 | 112 | D72 E78 I79 L80 | D72-E76 PolarHBondContact O-N 3.44Å; E76-E78 VanDerWaalsContact C-N 3.27Å; E76-E78 PolarHBondContact O-N 3.34Å; E76-I79 PolarHBondContact O-N 3.41Å; E76-L80 WeakPolarHBondContact O-CB 3.39Å; E76-L80 PolarHBondContact O-N 3.05Å |
| 77 | D | 87 | Confident | 78.3 | Confident | 79 Ų | 79 | 106.8 Ų | 106.8 | 42% | 0.422 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61 | -37.8 | 175 | -86.1 | -7.3 | 0 | 0 | 0 | 111.8 | H73 L80 R81 | H73-D77 PolarHBondContact O-N 3.34Å; D77-L80 PolarHBondContact O-N 3.43Å; D77-R81 WeakPolarHBondContact O-CB 3.23Å; D77-R81 VanDerWaalsContact O-CG 3.28Å; D77-R81 WeakPolarHBondContact O-CG 3.38Å; D77-R81 PolarHBondContact O-N 2.95Å |
| 78 | E | 90.4 | Very high | 80.3 | Confident | 104 Ų | 104 | 105.5 Ų | 105.5 | 49% | 0.486 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 177.9 | -167.3 | 59.2 | -154.7 | 0 | 0 | 111.9 | N74 Q75 E76 L80 R81 H82 | N74-E78 VanDerWaalsContact O-CB 3.27Å; N74-E78 WeakPolarHBondContact O-CB 3.3Å; N74-E78 PolarHBondContact O-N 3.23Å; N74-E78 VanDerWaalsContact O-N 3.1Å; Q75-E78 PolarHBondContact O-N 2.91Å; E76-E78 VanDerWaalsContact C-N 3.27Å; E76-E78 PolarHBondContact O-N 3.34Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 2.98Å; E78-R81 PolarHBondContact O-N 2.81Å; E78-R81 IonicContact OE2-NH1 2.86Å; E78-R81 PolarHBondContact OE2-NH1 3.36Å; E78-H82 VanDerWaalsContact O-CB 3.28Å; E78-H82 WeakPolarHBondContact O-CB 3.4Å; E78-H82 PolarHBondContact O-N 2.94Å |
| 79 | I | 92 | Very high | 81.8 | Confident | 97 Ų | 97 | 98.9 Ų | 98.9 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 174.3 | -67.1 | 163.7 | 0 | 0 | 0 | 110.6 | Q75 E76 H82 T83 | Q75-I79 HydrophobicContact CG-CD1 4.25Å; Q75-I79 VanDerWaalsContact O-CG1 3.27Å; Q75-I79 WeakPolarHBondContact O-CG1 3.41Å; Q75-I79 PolarHBondContact O-N 3.25Å; E76-I79 PolarHBondContact O-N 3.41Å; I79-H82 PolarHBondContact O-N 3.18Å; I79-T83 VanDerWaalsContact O-CB 3.3Å; I79-T83 WeakPolarHBondContact O-CB 3.48Å; I79-T83 PolarHBondContact O-N 3.49Å; I79-T83 PolarHBondContact O-OG1 3.41Å |
| 80 | L | 93.5 | Very high | 83.2 | Confident | 116 Ų | 116 | 102.8 Ų | 102.8 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -45.6 | 177.1 | -177.6 | 62.2 | 0 | 0 | 0 | 111.2 | E76 D77 E78 T83 A84 | E76-L80 WeakPolarHBondContact O-CB 3.39Å; E76-L80 PolarHBondContact O-N 3.05Å; D77-L80 PolarHBondContact O-N 3.43Å; E78-L80 VanDerWaalsContact C-N 3.33Å; E78-L80 PolarHBondContact O-N 2.98Å; L80-T83 PolarHBondContact O-N 3.34Å; L80-A84 VanDerWaalsContact O-CB 3.27Å; L80-A84 WeakPolarHBondContact O-CB 3.42Å; L80-A84 PolarHBondContact O-N 3.49Å |
| 81 | R | 92.4 | Very high | 84.5 | Confident | 144 Ų | 144 | 103.8 Ų | 103.8 | 54% | 0.543 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 174.6 | -75 | 179.7 | -156.7 | 135.9 | 6.4 | 111.8 | D77 E78 A84 H85 | D77-R81 WeakPolarHBondContact O-CB 3.23Å; D77-R81 VanDerWaalsContact O-CG 3.28Å; D77-R81 WeakPolarHBondContact O-CG 3.38Å; D77-R81 PolarHBondContact O-N 2.95Å; E78-R81 PolarHBondContact O-N 2.81Å; E78-R81 IonicContact OE2-NH1 2.86Å; E78-R81 PolarHBondContact OE2-NH1 3.36Å; R81-A84 PolarHBondContact O-N 2.98Å; R81-H85 WeakPolarHBondContact O-CB 3.25Å; R81-H85 PolarHBondContact O-N 3.43Å |
| 82 | H | 94.7 | Very high | 85.4 | Confident | 119 Ų | 119 | 108.3 Ų | 108.3 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60 | -47.7 | 177 | 179.1 | -83.2 | 0 | 0 | 0 | 110.8 | E78 I79 H85 S86 | E78-H82 VanDerWaalsContact O-CB 3.28Å; E78-H82 WeakPolarHBondContact O-CB 3.4Å; E78-H82 PolarHBondContact O-N 2.94Å; I79-H82 PolarHBondContact O-N 3.18Å; H82-H85 PolarHBondContact O-N 3.25Å; H82-S86 PolarHBondContact O-N 3.28Å; H82-S86 PolarHBondContact O-OG 3.22Å; H82-S86 VanDerWaalsContact O-OG 3.1Å |
| 83 | T | 94.4 | Very high | 86 | Confident | 58 Ų | 58 | 106 Ų | 106 | 36% | 0.356 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 178.3 | -57 | 0 | 0 | 0 | 0 | 111.8 | I79 L80 H85 S86 Y87 | I79-T83 VanDerWaalsContact O-CB 3.3Å; I79-T83 WeakPolarHBondContact O-CB 3.48Å; I79-T83 PolarHBondContact O-N 3.49Å; I79-T83 PolarHBondContact O-OG1 3.41Å; L80-T83 PolarHBondContact O-N 3.34Å; T83-H85 VanDerWaalsContact C-N 3.3Å; T83-H85 PolarHBondContact O-N 3.18Å; T83-S86 PolarHBondContact O-N 3.41Å; T83-Y87 HydrophobicContact CG2-CD2 3.89Å; T83-Y87 HydrophobicContact CG2-CE2 4.09Å; T83-Y87 WeakPolarHBondContact O-CD2 3.34Å; T83-Y87 PolarHBondContact O-N 3.16Å |
| 84 | A | 94.4 | Very high | 86.6 | Confident | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L80 R81 S88 | L80-A84 VanDerWaalsContact O-CB 3.27Å; L80-A84 WeakPolarHBondContact O-CB 3.42Å; L80-A84 PolarHBondContact O-N 3.49Å; R81-A84 PolarHBondContact O-N 2.98Å; A84-S88 VanDerWaalsContact O-CB 3.3Å; A84-S88 WeakPolarHBondContact O-CB 3.36Å; A84-S88 PolarHBondContact O-N 2.71Å; A84-S88 PolarHBondContact O-OG 2.87Å |
| 85 | H | 93.4 | Very high | 87.1 | Confident | 113 Ų | 113 | 101.2 Ų | 101.2 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -45.3 | 174.4 | -176.5 | -84.1 | 0 | 0 | 0 | 111.6 | R81 H82 T83 S88 S89 | R81-H85 WeakPolarHBondContact O-CB 3.25Å; R81-H85 PolarHBondContact O-N 3.43Å; H82-H85 PolarHBondContact O-N 3.25Å; T83-H85 VanDerWaalsContact C-N 3.3Å; T83-H85 PolarHBondContact O-N 3.18Å; H85-S88 WeakPolarHBondContact CA-OG 3.47Å; H85-S88 PolarHBondContact O-OG 2.97Å; H85-S88 VanDerWaalsContact O-OG 3.11Å; H85-S89 VanDerWaalsContact O-CB 3.29Å; H85-S89 WeakPolarHBondContact O-CB 3.45Å; H85-S89 PolarHBondContact O-N 3.24Å; H85-S89 PolarHBondContact O-OG 3.36Å |
| 86 | S | 90.9 | Very high | 87.4 | Confident | 45 Ų | 45 | 97.2 Ų | 97.2 | 32% | 0.315 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.6 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | H82 T83 S89 Y90 | H82-S86 PolarHBondContact O-N 3.28Å; H82-S86 PolarHBondContact O-OG 3.22Å; H82-S86 VanDerWaalsContact O-OG 3.1Å; T83-S86 PolarHBondContact O-N 3.41Å; S86-S89 WeakPolarHBondContact O-CB 3.38Å; S86-S89 PolarHBondContact O-N 3.39Å; S86-Y90 WeakPolarHBondContact O-CD2 3.3Å; S86-Y90 PolarHBondContact O-N 3.34Å |
| 87 | Y | 88.4 | Confident | 87.6 | Confident | 173 Ų | 173 | 96.8 Ų | 96.8 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -46.3 | 177.7 | -94.1 | -83 | 0 | 0 | 0 | 112.9 | T83 S89 Y90 | T83-Y87 HydrophobicContact CG2-CD2 3.89Å; T83-Y87 HydrophobicContact CG2-CE2 4.09Å; T83-Y87 WeakPolarHBondContact O-CD2 3.34Å; T83-Y87 PolarHBondContact O-N 3.16Å; Y87-S89 PolarHBondContact O-N 2.99Å; Y87-Y90 PolarHBondContact O-N 3.25Å |
| 88 | S | 88.9 | Confident | 87.7 | Confident | 60 Ų | 60 | 99.4 Ų | 99.4 | 42% | 0.42 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.1 | -29 | 177.3 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | A84 H85 Y90 I91 R92 | A84-S88 VanDerWaalsContact O-CB 3.3Å; A84-S88 WeakPolarHBondContact O-CB 3.36Å; A84-S88 PolarHBondContact O-N 2.71Å; A84-S88 PolarHBondContact O-OG 2.87Å; H85-S88 WeakPolarHBondContact CA-OG 3.47Å; H85-S88 PolarHBondContact O-OG 2.97Å; H85-S88 VanDerWaalsContact O-OG 3.11Å; S88-Y90 VanDerWaalsContact C-N 3.32Å; S88-Y90 PolarHBondContact O-N 3.09Å; S88-I91 PolarHBondContact O-N 3.49Å; S88-R92 WeakPolarHBondContact O-CB 3.37Å; S88-R92 PolarHBondContact O-N 3.37Å |
| 89 | S | 86.2 | Confident | 87.8 | Confident | 37 Ų | 37 | 98.8 Ų | 98.8 | 26% | 0.259 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 174.5 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | H85 S86 Y87 R92 A93 | H85-S89 VanDerWaalsContact O-CB 3.29Å; H85-S89 WeakPolarHBondContact O-CB 3.45Å; H85-S89 PolarHBondContact O-N 3.24Å; H85-S89 PolarHBondContact O-OG 3.36Å; S86-S89 WeakPolarHBondContact O-CB 3.38Å; S86-S89 PolarHBondContact O-N 3.39Å; Y87-S89 PolarHBondContact O-N 2.99Å; S89-R92 PolarHBondContact O-N 2.97Å; S89-A93 VanDerWaalsContact O-CB 3.27Å; S89-A93 WeakPolarHBondContact O-CB 3.46Å; S89-A93 PolarHBondContact O-N 2.97Å |
| 90 | Y | 82.3 | Confident | 87.9 | Confident | 178 Ų | 178 | 99.2 Ų | 99.2 | 70% | 0.698 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 175.5 | -77.9 | -72.1 | 0 | 0 | 0 | 112.3 | S86 Y87 S88 A93 | S86-Y90 WeakPolarHBondContact O-CD2 3.3Å; S86-Y90 PolarHBondContact O-N 3.34Å; Y87-Y90 PolarHBondContact O-N 3.25Å; S88-Y90 VanDerWaalsContact C-N 3.32Å; S88-Y90 PolarHBondContact O-N 3.09Å; Y90-A93 PolarHBondContact O-N 3.45Å |
| 91 | I | 81.3 | Confident | 88 | Confident | 122 Ų | 122 | 98 Ų | 98 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.3 | -41.9 | 178.3 | -60.4 | 175.8 | 0 | 0 | 0 | 110.3 | S88 A93 T94 A95 | S88-I91 PolarHBondContact O-N 3.49Å; I91-A93 VanDerWaalsContact C-N 3.28Å; I91-A93 PolarHBondContact O-N 3.46Å; I91-T94 PolarHBondContact O-N 3.45Å; I91-T94 PolarHBondContact O-OG1 2.92Å; I91-A95 WeakPolarHBondContact O-CB 3.22Å; I91-A95 PolarHBondContact O-N 2.65Å |
| 92 | R | 78.5 | Confident | 88.2 | Confident | 191 Ų | 191 | 96.8 Ų | 96.8 | 72% | 0.721 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.7 | -31 | 179.9 | -158 | 177.7 | 99.6 | -135.4 | 6.7 | 112.6 | S88 S89 T94 | S88-R92 WeakPolarHBondContact O-CB 3.37Å; S88-R92 PolarHBondContact O-N 3.37Å; S89-R92 PolarHBondContact O-N 2.97Å; R92-T94 VanDerWaalsContact C-N 3.33Å |
| 93 | A | 73.6 | Confident | 88.3 | Confident | 75 Ų | 75 | 96.5 Ų | 96.5 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.3 | -30.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | S89 Y90 I91 | S89-A93 VanDerWaalsContact O-CB 3.27Å; S89-A93 WeakPolarHBondContact O-CB 3.46Å; S89-A93 PolarHBondContact O-N 2.97Å; Y90-A93 PolarHBondContact O-N 3.45Å; I91-A93 VanDerWaalsContact C-N 3.28Å; I91-A93 PolarHBondContact O-N 3.46Å |
| 94 | T | 75.6 | Confident | 88.5 | Confident | 81 Ų | 81 | 100.3 Ų | 100.3 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -100.8 | -30.1 | -178.7 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | I91 R92 G96 | I91-T94 PolarHBondContact O-N 3.45Å; I91-T94 PolarHBondContact O-OG1 2.92Å; R92-T94 VanDerWaalsContact C-N 3.33Å; T94-G96 VanDerWaalsContact C-N 3.29Å; T94-G96 PolarHBondContact O-N 3.39Å |
| 95 | A | 85.1 | Confident | 88.7 | Confident | 27 Ų | 27 | 100.1 Ų | 100.1 | 22% | 0.223 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -65.5 | -29.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I91 I99 | I91-A95 WeakPolarHBondContact O-CB 3.22Å; I91-A95 PolarHBondContact O-N 2.65Å; A95-I99 HydrophobicContact CB-CD1 4.41Å; A95-I99 WeakPolarHBondContact O-CB 3.4Å; A95-I99 VanDerWaalsContact O-CD1 3.31Å; A95-I99 WeakPolarHBondContact O-CD1 3.22Å; A95-I99 WeakPolarHBondContact O-CG1 3.41Å; A95-I99 PolarHBondContact O-N 2.99Å |
| 96 | G | 86.4 | Confident | 88.9 | Confident | 36 Ų | 36 | 99.1 Ų | 99.1 | 37% | 0.371 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | T94 I99 L100 | T94-G96 VanDerWaalsContact C-N 3.29Å; T94-G96 PolarHBondContact O-N 3.39Å; G96-I99 PolarHBondContact O-N 2.9Å; G96-L100 WeakPolarHBondContact O-CG 3.43Å; G96-L100 PolarHBondContact O-N 3.19Å |
| 97 | D | 89.3 | Confident | 89.3 | Confident | 122 Ų | 122 | 102.8 Ų | 102.8 | 65% | 0.652 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70 | -36.8 | -178.8 | -68.1 | -18.3 | 0 | 0 | 0 | 111.8 | L100 C101 | D97-L100 PolarHBondContact O-N 2.86Å; D97-C101 WeakPolarHBondContact O-CB 3.34Å; D97-C101 PolarHBondContact O-N 3.49Å |
| 98 | E | 90.6 | Very high | 89.7 | Confident | 134 Ų | 134 | 98.8 Ų | 98.8 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65 | -42.4 | 175.5 | -69.1 | 179 | 172.6 | 0 | 0 | 111.8 | C101 L102 | E98-C101 PolarHBondContact O-N 3.41Å; E98-L102 PolarHBondContact O-N 2.88Å |
| 99 | I | 92.1 | Very high | 90.2 | Very high | 91 Ų | 91 | 100.5 Ų | 100.5 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 175.9 | -70.8 | 164.1 | 0 | 0 | 0 | 110.3 | A95 G96 C101 L102 E103 | A95-I99 HydrophobicContact CB-CD1 4.41Å; A95-I99 WeakPolarHBondContact O-CB 3.4Å; A95-I99 VanDerWaalsContact O-CD1 3.31Å; A95-I99 WeakPolarHBondContact O-CD1 3.22Å; A95-I99 WeakPolarHBondContact O-CG1 3.41Å; A95-I99 PolarHBondContact O-N 2.99Å; G96-I99 PolarHBondContact O-N 2.9Å; I99-C101 VanDerWaalsContact C-N 3.29Å; I99-C101 PolarHBondContact O-N 3.07Å; I99-L102 WeakPolarHBondContact O-CB 3.34Å; I99-L102 PolarHBondContact O-N 3Å; I99-L102 VanDerWaalsContact O-N 3.17Å; I99-E103 HydrophobicContact CG2-CG 4.38Å; I99-E103 WeakPolarHBondContact O-CG 3.44Å; I99-E103 PolarHBondContact O-N 3.09Å |
| 100 | L | 93.9 | Very high | 90.8 | Very high | 107 Ų | 107 | 102.9 Ų | 102.9 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -37.7 | 178.2 | -71.8 | 172.9 | 0 | 0 | 0 | 112.3 | G96 D97 E103 K104 | G96-L100 WeakPolarHBondContact O-CG 3.43Å; G96-L100 PolarHBondContact O-N 3.19Å; D97-L100 PolarHBondContact O-N 2.86Å; L100-E103 PolarHBondContact O-N 2.87Å; L100-K104 WeakPolarHBondContact O-CB 3.48Å; L100-K104 PolarHBondContact O-N 3.5Å |
| 101 | C | 95.5 | Very high | 91.6 | Very high | 89 Ų | 89 | 97.3 Ų | 97.3 | 60% | 0.601 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -41.8 | 175.5 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | D97 E98 I99 K104 S105 | D97-C101 WeakPolarHBondContact O-CB 3.34Å; D97-C101 PolarHBondContact O-N 3.49Å; E98-C101 PolarHBondContact O-N 3.41Å; I99-C101 VanDerWaalsContact C-N 3.29Å; I99-C101 PolarHBondContact O-N 3.07Å; C101-K104 PolarHBondContact O-N 3.1Å; C101-S105 PolarHBondContact O-N 3.38Å |
| 102 | L | 96.8 | Very high | 92.4 | Very high | 120 Ų | 120 | 98.3 Ų | 98.3 | 63% | 0.628 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -45.7 | 175 | 180 | 63.6 | 0 | 0 | 0 | 111.9 | E98 I99 K104 S105 L106 | E98-L102 PolarHBondContact O-N 2.88Å; I99-L102 WeakPolarHBondContact O-CB 3.34Å; I99-L102 PolarHBondContact O-N 3Å; I99-L102 VanDerWaalsContact O-N 3.17Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 2.98Å; L102-S105 PolarHBondContact O-N 3.39Å; L102-L106 WeakPolarHBondContact O-CB 3.34Å; L102-L106 PolarHBondContact O-N 2.9Å |
| 103 | E | 97 | Very high | 93.3 | Very high | 113 Ų | 113 | 93.1 Ų | 93.1 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 177.1 | -74.1 | 178.1 | 164.5 | 0 | 0 | 111.2 | I99 L100 L106 E107 | I99-E103 HydrophobicContact CG2-CG 4.38Å; I99-E103 WeakPolarHBondContact O-CG 3.44Å; I99-E103 PolarHBondContact O-N 3.09Å; L100-E103 PolarHBondContact O-N 2.87Å; E103-L106 PolarHBondContact O-N 3.27Å; E103-E107 PolarHBondContact O-N 2.58Å |
| 104 | K | 98 | Very high | 94.5 | Very high | 137 Ų | 137 | 95.2 Ų | 95.2 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62 | -45 | 174.7 | -177.1 | 179 | 174.1 | -176.6 | 0 | 112 | L100 C101 L102 L106 E107 E108 | L100-K104 WeakPolarHBondContact O-CB 3.48Å; L100-K104 PolarHBondContact O-N 3.5Å; C101-K104 PolarHBondContact O-N 3.1Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 2.98Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 PolarHBondContact O-N 2.93Å; K104-E107 PolarHBondContact O-N 2.75Å; K104-E108 WeakPolarHBondContact CE-OE1 3.44Å; K104-E108 WeakPolarHBondContact O-CG 3.42Å; K104-E108 PolarHBondContact O-N 2.72Å |
| 105 | S | 98.1 | Very high | 95.6 | Very high | 52 Ų | 52 | 96.8 Ų | 96.8 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -35.2 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 112 | C101 L102 M109 | C101-S105 PolarHBondContact O-N 3.38Å; L102-S105 PolarHBondContact O-N 3.39Å; S105-M109 VanDerWaalsContact O-CG 3.32Å; S105-M109 WeakPolarHBondContact O-CG 3.46Å; S105-M109 PolarHBondContact O-N 3.34Å |
| 106 | L | 98.4 | Very high | 96.3 | Very high | 92 Ų | 92 | 101.3 Ų | 101.3 | 48% | 0.482 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 176.7 | -178.6 | 65.1 | 0 | 0 | 0 | 110.9 | L102 E103 K104 E108 M109 L110 | L102-L106 WeakPolarHBondContact O-CB 3.34Å; L102-L106 PolarHBondContact O-N 2.9Å; E103-L106 PolarHBondContact O-N 3.27Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 PolarHBondContact O-N 2.93Å; L106-E108 VanDerWaalsContact C-N 3.33Å; L106-E108 PolarHBondContact O-N 3.1Å; L106-M109 HydrophobicContact CD1-CE 4.17Å; L106-M109 PolarHBondContact O-N 3.07Å; L106-M109 VanDerWaalsContact O-N 3.13Å; L106-L110 HydrophobicContact CG-CD1 4.23Å; L106-L110 WeakPolarHBondContact O-CG 3.46Å; L106-L110 PolarHBondContact O-N 3.14Å |
| 107 | E | 98.4 | Very high | 96.8 | Very high | 121 Ų | 121 | 103 Ų | 103 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.3 | -43.6 | 177.3 | -171.1 | 61.2 | -146.8 | 0 | 0 | 111.7 | E103 K104 M109 L110 T111 | E103-E107 PolarHBondContact O-N 2.58Å; K104-E107 PolarHBondContact O-N 2.75Å; E107-M109 VanDerWaalsContact C-N 3.32Å; E107-M109 PolarHBondContact O-N 3.47Å; E107-L110 PolarHBondContact O-N 3.24Å; E107-T111 WeakPolarHBondContact O-CB 3.48Å; E107-T111 PolarHBondContact O-N 2.98Å; E107-T111 PolarHBondContact O-OG1 3.15Å |
| 108 | E | 98.4 | Very high | 97.3 | Very high | 89 Ų | 89 | 99 Ų | 99 | 42% | 0.416 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 174.5 | -72.6 | 179.1 | -166.5 | 0 | 0 | 111.9 | K104 L106 R112 | K104-E108 WeakPolarHBondContact CE-OE1 3.44Å; K104-E108 WeakPolarHBondContact O-CG 3.42Å; K104-E108 PolarHBondContact O-N 2.72Å; L106-E108 VanDerWaalsContact C-N 3.33Å; L106-E108 PolarHBondContact O-N 3.1Å; E108-R112 WeakPolarHBondContact O-CG 3.45Å; E108-R112 PolarHBondContact O-N 3.27Å |
| 109 | M | 98.6 | Very high | 97.6 | Very high | 96 Ų | 96 | 97 Ų | 97 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 176.2 | -76.1 | -172.1 | -61.6 | 0 | 0 | 112.4 | S105 L106 E107 T111 R112 V113 | S105-M109 VanDerWaalsContact O-CG 3.32Å; S105-M109 WeakPolarHBondContact O-CG 3.46Å; S105-M109 PolarHBondContact O-N 3.34Å; L106-M109 HydrophobicContact CD1-CE 4.17Å; L106-M109 PolarHBondContact O-N 3.07Å; L106-M109 VanDerWaalsContact O-N 3.13Å; E107-M109 VanDerWaalsContact C-N 3.32Å; E107-M109 PolarHBondContact O-N 3.47Å; M109-T111 VanDerWaalsContact C-N 3.35Å; M109-R112 PolarHBondContact O-N 3.34Å; M109-V113 WeakPolarHBondContact O-CG2 3.44Å; M109-V113 PolarHBondContact O-N 3.37Å |
| 110 | L | 98.6 | Very high | 97.9 | Very high | 88 Ų | 88 | 98 Ų | 98 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 176.4 | -70.5 | 173.1 | 0 | 0 | 0 | 110.8 | L106 E107 R112 V113 D114 | L106-L110 HydrophobicContact CG-CD1 4.23Å; L106-L110 WeakPolarHBondContact O-CG 3.46Å; L106-L110 PolarHBondContact O-N 3.14Å; E107-L110 PolarHBondContact O-N 3.24Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 3.38Å; L110-V113 WeakPolarHBondContact O-CB 3.38Å; L110-V113 PolarHBondContact O-N 2.92Å; L110-V113 VanDerWaalsContact O-N 3.09Å; L110-D114 PolarHBondContact O-N 3.04Å |
| 111 | T | 98.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 97.5 Ų | 97.5 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.5 | -46.1 | 174.3 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | E107 M109 V113 D114 E115 | E107-T111 WeakPolarHBondContact O-CB 3.48Å; E107-T111 PolarHBondContact O-N 2.98Å; E107-T111 PolarHBondContact O-OG1 3.15Å; M109-T111 VanDerWaalsContact C-N 3.35Å; T111-V113 VanDerWaalsContact C-N 3.33Å; T111-V113 PolarHBondContact O-N 2.97Å; T111-D114 PolarHBondContact O-N 3.43Å; T111-E115 WeakPolarHBondContact O-CG 3.37Å; T111-E115 PolarHBondContact O-N 3.05Å |
| 112 | R | 98.5 | Very high | 98.3 | Very high | 143 Ų | 143 | 98.8 Ų | 98.8 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.3 | -35.6 | 177.2 | -72.7 | -177.7 | -167 | 176.9 | 8.6 | 112.9 | E108 M109 L110 D114 E115 F116 | E108-R112 WeakPolarHBondContact O-CG 3.45Å; E108-R112 PolarHBondContact O-N 3.27Å; M109-R112 PolarHBondContact O-N 3.34Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 3.38Å; R112-D114 VanDerWaalsContact C-N 3.34Å; R112-E115 PolarHBondContact O-N 3.36Å; R112-F116 HydrophobicContact CB-CE2 4.35Å; R112-F116 WeakPolarHBondContact O-CD2 3.41Å; R112-F116 WeakPolarHBondContact O-CG 3.47Å; R112-F116 PolarHBondContact O-N 3.43Å |
| 113 | V | 98.8 | Very high | 98.4 | Very high | 81 Ų | 81 | 97.8 Ų | 97.8 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 175.5 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | M109 L110 T111 E115 F116 V117 | M109-V113 WeakPolarHBondContact O-CG2 3.44Å; M109-V113 PolarHBondContact O-N 3.37Å; L110-V113 WeakPolarHBondContact O-CB 3.38Å; L110-V113 PolarHBondContact O-N 2.92Å; L110-V113 VanDerWaalsContact O-N 3.09Å; T111-V113 VanDerWaalsContact C-N 3.33Å; T111-V113 PolarHBondContact O-N 2.97Å; V113-E115 VanDerWaalsContact C-N 3.32Å; V113-E115 PolarHBondContact O-N 3.08Å; V113-F116 PolarHBondContact O-N 3.15Å; V113-V117 WeakPolarHBondContact O-CG2 3.48Å; V113-V117 PolarHBondContact O-N 3.2Å |
| 114 | D | 98.4 | Very high | 98.4 | Very high | 119 Ų | 119 | 101.1 Ų | 101.1 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.7 | -40.2 | 176.2 | -70.8 | -21 | 0 | 0 | 0 | 111.8 | L110 T111 R112 V117 G118 | L110-D114 PolarHBondContact O-N 3.04Å; T111-D114 PolarHBondContact O-N 3.43Å; R112-D114 VanDerWaalsContact C-N 3.34Å; D114-V117 PolarHBondContact O-N 3.41Å; D114-G118 PolarHBondContact O-N 2.95Å |
| 115 | E | 98.6 | Very high | 98.4 | Very high | 114 Ų | 114 | 99.4 Ų | 99.4 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 172.9 | -69.5 | 172.5 | 176 | 0 | 0 | 112.2 | T111 R112 V113 V117 G118 M119 | T111-E115 WeakPolarHBondContact O-CG 3.37Å; T111-E115 PolarHBondContact O-N 3.05Å; R112-E115 PolarHBondContact O-N 3.36Å; V113-E115 VanDerWaalsContact C-N 3.32Å; V113-E115 PolarHBondContact O-N 3.08Å; E115-V117 VanDerWaalsContact C-N 3.35Å; E115-V117 PolarHBondContact O-N 3.09Å; E115-G118 PolarHBondContact O-N 3.45Å; E115-M119 PolarHBondContact O-N 3Å |
| 116 | F | 98.6 | Very high | 98.5 | Very high | 123 Ų | 123 | 100.2 Ų | 100.2 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 175.7 | -76.7 | -57 | 0 | 0 | 0 | 112.3 | R112 V113 G118 M119 L120 | R112-F116 HydrophobicContact CB-CE2 4.35Å; R112-F116 WeakPolarHBondContact O-CD2 3.41Å; R112-F116 WeakPolarHBondContact O-CG 3.47Å; R112-F116 PolarHBondContact O-N 3.43Å; V113-F116 PolarHBondContact O-N 3.15Å; F116-G118 VanDerWaalsContact C-N 3.32Å; F116-M119 HydrophobicContact CD1-CE 3.37Å; F116-M119 HydrophobicContact CE1-CE 3.7Å; F116-M119 HydrophobicContact CG-CE 4.21Å; F116-M119 PolarHBondContact O-N 3.21Å; F116-L120 WeakPolarHBondContact O-CG 3.41Å; F116-L120 PolarHBondContact O-N 2.98Å |
| 117 | V | 98.3 | Very high | 98.4 | Very high | 72 Ų | 72 | 99.3 Ų | 99.3 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 173.9 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | V113 D114 E115 M119 L120 D121 | V113-V117 WeakPolarHBondContact O-CG2 3.48Å; V113-V117 PolarHBondContact O-N 3.2Å; D114-V117 PolarHBondContact O-N 3.41Å; E115-V117 VanDerWaalsContact C-N 3.35Å; E115-V117 PolarHBondContact O-N 3.09Å; V117-M119 VanDerWaalsContact C-N 3.35Å; V117-M119 PolarHBondContact O-N 3.45Å; V117-L120 PolarHBondContact O-N 3.23Å; V117-L120 VanDerWaalsContact O-N 3.17Å; V117-D121 PolarHBondContact O-N 3.36Å |
| 118 | G | 98.3 | Very high | 98.4 | Very high | 38 Ų | 38 | 96 Ų | 96 | 39% | 0.392 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D114 E115 F116 D121 M122 | D114-G118 PolarHBondContact O-N 2.95Å; E115-G118 PolarHBondContact O-N 3.45Å; F116-G118 VanDerWaalsContact C-N 3.32Å; G118-D121 PolarHBondContact O-N 3.49Å; G118-M122 PolarHBondContact O-N 3.23Å |
| 119 | M | 98.6 | Very high | 98.4 | Very high | 92 Ų | 92 | 95.9 Ų | 95.9 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 175.1 | -72.6 | -171.3 | -76.5 | 0 | 0 | 112.5 | E115 F116 V117 M122 I123 | E115-M119 PolarHBondContact O-N 3Å; F116-M119 HydrophobicContact CD1-CE 3.37Å; F116-M119 HydrophobicContact CE1-CE 3.7Å; F116-M119 HydrophobicContact CG-CE 4.21Å; F116-M119 PolarHBondContact O-N 3.21Å; V117-M119 VanDerWaalsContact C-N 3.35Å; V117-M119 PolarHBondContact O-N 3.45Å; M119-M122 WeakPolarHBondContact O-CB 3.39Å; M119-M122 PolarHBondContact O-N 3.46Å; M119-I123 VanDerWaalsContact O-CG1 3.29Å; M119-I123 WeakPolarHBondContact O-CG1 3.45Å; M119-I123 PolarHBondContact O-N 3.37Å |
| 120 | L | 98.5 | Very high | 98.4 | Very high | 112 Ų | 112 | 95.9 Ų | 95.9 | 59% | 0.586 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 176.4 | -75.4 | 173.3 | 0 | 0 | 0 | 112 | F116 V117 M122 I123 R124 | F116-L120 WeakPolarHBondContact O-CG 3.41Å; F116-L120 PolarHBondContact O-N 2.98Å; V117-L120 PolarHBondContact O-N 3.23Å; V117-L120 VanDerWaalsContact O-N 3.17Å; L120-M122 VanDerWaalsContact C-N 3.33Å; L120-I123 PolarHBondContact O-N 3.47Å; L120-R124 VanDerWaalsContact O-CB 3.28Å; L120-R124 WeakPolarHBondContact O-CB 3.4Å; L120-R124 PolarHBondContact O-N 2.98Å |
| 121 | D | 98.3 | Very high | 98.4 | Very high | 95 Ų | 95 | 95.5 Ų | 95.5 | 51% | 0.508 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 176.3 | -78.5 | -20.8 | 0 | 0 | 0 | 111.6 | V117 G118 R124 N125 | V117-D121 PolarHBondContact O-N 3.36Å; G118-D121 PolarHBondContact O-N 3.49Å; D121-R124 PolarHBondContact O-N 2.88Å; D121-N125 WeakPolarHBondContact O-CB 3.34Å; D121-N125 PolarHBondContact O-N 3.01Å |
| 122 | M | 98.4 | Very high | 98.3 | Very high | 116 Ų | 116 | 98 Ų | 98 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61 | -51.3 | 173.5 | -168.8 | -175.9 | -49.9 | 0 | 0 | 111.4 | G118 M119 L120 R124 N125 D126 | G118-M122 PolarHBondContact O-N 3.23Å; M119-M122 WeakPolarHBondContact O-CB 3.39Å; M119-M122 PolarHBondContact O-N 3.46Å; L120-M122 VanDerWaalsContact C-N 3.33Å; M122-R124 VanDerWaalsContact C-N 3.28Å; M122-R124 PolarHBondContact O-N 2.91Å; M122-N125 PolarHBondContact O-N 3.06Å; M122-D126 WeakPolarHBondContact O-CB 3.43Å; M122-D126 VanDerWaalsContact O-CG 3.28Å; M122-D126 PolarHBondContact O-N 3.43Å |
| 123 | I | 98.3 | Very high | 98.3 | Very high | 100 Ų | 100 | 96.6 Ų | 96.6 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 177.9 | -67.9 | 165.6 | 0 | 0 | 0 | 110.8 | M119 L120 D126 T127 | M119-I123 VanDerWaalsContact O-CG1 3.29Å; M119-I123 WeakPolarHBondContact O-CG1 3.45Å; M119-I123 PolarHBondContact O-N 3.37Å; L120-I123 PolarHBondContact O-N 3.47Å; I123-D126 PolarHBondContact O-N 3.46Å; I123-T127 VanDerWaalsContact O-CB 3.24Å; I123-T127 WeakPolarHBondContact O-CB 3.39Å; I123-T127 PolarHBondContact O-N 2.96Å; I123-T127 PolarHBondContact O-OG1 3.21Å |
| 124 | R | 98.4 | Very high | 98.2 | Very high | 182 Ų | 182 | 95.5 Ų | 95.5 | 69% | 0.687 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 178.5 | -177 | -178.8 | 177.4 | -178.8 | -0.1 | 111.4 | L120 D121 M122 S128 | L120-R124 VanDerWaalsContact O-CB 3.28Å; L120-R124 WeakPolarHBondContact O-CB 3.4Å; L120-R124 PolarHBondContact O-N 2.98Å; D121-R124 PolarHBondContact O-N 2.88Å; M122-R124 VanDerWaalsContact C-N 3.28Å; M122-R124 PolarHBondContact O-N 2.91Å; R124-S128 WeakPolarHBondContact O-CB 3.37Å; R124-S128 PolarHBondContact O-N 3.06Å; R124-S128 PolarHBondContact O-OG 3.37Å |
| 125 | N | 98.4 | Very high | 98.2 | Very high | 101 Ų | 101 | 94.9 Ų | 94.9 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -48.2 | 176.8 | -177.3 | 67.6 | 0 | 0 | 0 | 111.2 | D121 M122 T127 S128 Q129 | D121-N125 WeakPolarHBondContact O-CB 3.34Å; D121-N125 PolarHBondContact O-N 3.01Å; M122-N125 PolarHBondContact O-N 3.06Å; N125-T127 VanDerWaalsContact C-N 3.35Å; N125-T127 PolarHBondContact O-N 3.35Å; N125-S128 CarbonylContact O-C 3.59Å; N125-S128 WeakPolarHBondContact O-CA 3.29Å; N125-S128 WeakPolarHBondContact O-CB 3.41Å; N125-S128 PolarHBondContact O-N 3.39Å; N125-S128 VanDerWaalsContact O-N 3.1Å; N125-Q129 PolarHBondContact O-N 2.86Å |
| 126 | D | 98.3 | Very high | 98.2 | Very high | 70 Ų | 70 | 92.1 Ų | 92.1 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 179.2 | -69 | -2 | 0 | 0 | 0 | 111.3 | M122 I123 S128 Q129 I130 | M122-D126 WeakPolarHBondContact O-CB 3.43Å; M122-D126 VanDerWaalsContact O-CG 3.28Å; M122-D126 PolarHBondContact O-N 3.43Å; I123-D126 PolarHBondContact O-N 3.46Å; D126-S128 VanDerWaalsContact C-N 3.3Å; D126-S128 PolarHBondContact O-N 3.45Å; D126-Q129 PolarHBondContact O-N 3.3Å; D126-I130 WeakPolarHBondContact O-CB 3.29Å; D126-I130 VanDerWaalsContact O-CG1 3.27Å; D126-I130 WeakPolarHBondContact O-CG1 3.49Å; D126-I130 PolarHBondContact O-N 2.94Å |
| 127 | T | 98.3 | Very high | 98.2 | Very high | 73 Ų | 73 | 90.6 Ų | 90.6 | 45% | 0.448 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 174.4 | -58 | 0 | 0 | 0 | 0 | 110.7 | I123 N125 Q129 I130 V131 | I123-T127 VanDerWaalsContact O-CB 3.24Å; I123-T127 WeakPolarHBondContact O-CB 3.39Å; I123-T127 PolarHBondContact O-N 2.96Å; I123-T127 PolarHBondContact O-OG1 3.21Å; N125-T127 VanDerWaalsContact C-N 3.35Å; N125-T127 PolarHBondContact O-N 3.35Å; T127-Q129 VanDerWaalsContact C-N 3.32Å; T127-Q129 PolarHBondContact O-N 2.86Å; T127-I130 PolarHBondContact O-N 3.15Å; T127-V131 HydrophobicContact CG2-CG2 4.25Å; T127-V131 WeakPolarHBondContact O-CB 3.29Å; T127-V131 VanDerWaalsContact O-CG2 3.29Å; T127-V131 WeakPolarHBondContact O-CG2 3.28Å; T127-V131 PolarHBondContact O-N 2.73Å |
| 128 | S | 98.1 | Very high | 98.2 | Very high | 51 Ų | 51 | 92.2 Ų | 92.2 | 36% | 0.357 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | R124 N125 D126 N132 | R124-S128 WeakPolarHBondContact O-CB 3.37Å; R124-S128 PolarHBondContact O-N 3.06Å; R124-S128 PolarHBondContact O-OG 3.37Å; N125-S128 CarbonylContact O-C 3.59Å; N125-S128 WeakPolarHBondContact O-CA 3.29Å; N125-S128 WeakPolarHBondContact O-CB 3.41Å; N125-S128 PolarHBondContact O-N 3.39Å; N125-S128 VanDerWaalsContact O-N 3.1Å; D126-S128 VanDerWaalsContact C-N 3.3Å; D126-S128 PolarHBondContact O-N 3.45Å; S128-N132 WeakPolarHBondContact O-CB 3.23Å; S128-N132 PolarHBondContact O-N 2.94Å; S128-N132 PolarHBondContact O-ND2 3.1Å |
| 129 | Q | 98 | Very high | 98.2 | Very high | 87 Ų | 87 | 96 Ų | 96 | 41% | 0.407 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 176.7 | -162.2 | -173.4 | 20.2 | 0 | 0 | 111.7 | N125 D126 T127 E133 N134 | N125-Q129 PolarHBondContact O-N 2.86Å; D126-Q129 PolarHBondContact O-N 3.3Å; T127-Q129 VanDerWaalsContact C-N 3.32Å; T127-Q129 PolarHBondContact O-N 2.86Å; Q129-E133 WeakPolarHBondContact CG-OE2 3.19Å; Q129-E133 WeakPolarHBondContact O-CA 3.35Å; Q129-E133 VanDerWaalsContact O-CB 3.3Å; Q129-E133 WeakPolarHBondContact O-CB 3.37Å; Q129-E133 PolarHBondContact O-N 3.42Å; Q129-N134 PolarHBondContact O-N 2.94Å; Q129-N134 VanDerWaalsContact O-N 3.11Å; Q129-N134 PolarHBondContact O-ND2 2.94Å; Q129-N134 VanDerWaalsContact O-ND2 3.11Å |
| 130 | I | 98.2 | Very high | 98.2 | Very high | 95 Ų | 95 | 98.6 Ų | 98.6 | 49% | 0.487 | 50% | 0.495 | S | S | . | . | I | π-helix | trans | -62.7 | -49.3 | 179.1 | -69.8 | 165.5 | 0 | 0 | 0 | 110.6 | D126 T127 N134 L135 | D126-I130 WeakPolarHBondContact O-CB 3.29Å; D126-I130 VanDerWaalsContact O-CG1 3.27Å; D126-I130 WeakPolarHBondContact O-CG1 3.49Å; D126-I130 PolarHBondContact O-N 2.94Å; T127-I130 PolarHBondContact O-N 3.15Å; I130-N134 PolarHBondContact O-N 2.84Å; I130-L135 VanDerWaalsContact O-CB 3.29Å; I130-L135 WeakPolarHBondContact O-CB 3.49Å; I130-L135 PolarHBondContact O-N 3.46Å |
| 131 | V | 98.3 | Very high | 98.1 | Very high | 80 Ų | 80 | 98.5 Ų | 98.5 | 49% | 0.485 | 49% | 0.492 | S | S | . | . | I | π-helix | trans | -72.5 | -41.9 | -174 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | T127 P136 | T127-V131 HydrophobicContact CG2-CG2 4.25Å; T127-V131 WeakPolarHBondContact O-CB 3.29Å; T127-V131 VanDerWaalsContact O-CG2 3.29Å; T127-V131 WeakPolarHBondContact O-CG2 3.28Å; T127-V131 PolarHBondContact O-N 2.73Å; V131-P136 VanDerWaalsContact O-CD 3.29Å; V131-P136 WeakPolarHBondContact O-CD 3.29Å |
| 132 | N | 97.6 | Very high | 98.1 | Very high | 113 Ų | 113 | 96.7 Ų | 96.7 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | I | π-helix | trans | -91.2 | -23.7 | -172.2 | -60.1 | -47.8 | 0 | 0 | 0 | 113.6 | S128 | S128-N132 WeakPolarHBondContact O-CB 3.23Å; S128-N132 PolarHBondContact O-N 2.94Å; S128-N132 PolarHBondContact O-ND2 3.1Å |
| 133 | E | 97.3 | Very high | 98.1 | Very high | 114 Ų | 114 | 93.4 Ų | 93.4 | 53% | 0.533 | 47% | 0.47 | S | S | . | . | I | π-helix | trans | -118.2 | -62.7 | -174.9 | -55.3 | 178.2 | 178.8 | 0 | 0 | 111.7 | Q129 P136 Q137 | Q129-E133 WeakPolarHBondContact CG-OE2 3.19Å; Q129-E133 WeakPolarHBondContact O-CA 3.35Å; Q129-E133 VanDerWaalsContact O-CB 3.3Å; Q129-E133 WeakPolarHBondContact O-CB 3.37Å; Q129-E133 PolarHBondContact O-N 3.42Å; E133-P136 WeakPolarHBondContact O-CD 3.3Å; E133-Q137 VanDerWaalsContact O-CB 3.29Å; E133-Q137 WeakPolarHBondContact O-CB 3.48Å; E133-Q137 PolarHBondContact O-N 3.43Å |
| 134 | N | 97.8 | Very high | 98.1 | Very high | 58 Ų | 58 | 93.5 Ų | 93.5 | 31% | 0.31 | 47% | 0.468 | S | S | . | . | I | π-helix | trans | -66.2 | -47.6 | -169.8 | -66.1 | -78.7 | 0 | 0 | 0 | 112.2 | Q129 I130 Q137 I138 | Q129-N134 PolarHBondContact O-N 2.94Å; Q129-N134 VanDerWaalsContact O-N 3.11Å; Q129-N134 PolarHBondContact O-ND2 2.94Å; Q129-N134 VanDerWaalsContact O-ND2 3.11Å; I130-N134 PolarHBondContact O-N 2.84Å; N134-Q137 PolarHBondContact O-N 3.01Å; N134-I138 VanDerWaalsContact O-CG1 3.28Å; N134-I138 WeakPolarHBondContact O-CG1 3.24Å; N134-I138 PolarHBondContact O-N 2.85Å |
| 135 | L | 98.3 | Very high | 98.1 | Very high | 106 Ų | 106 | 89.2 Ų | 89.2 | 56% | 0.555 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.5 | -46.5 | -176.8 | -175.2 | 70.2 | 0 | 0 | 0 | 112.1 | I130 Q137 I138 H139 | I130-L135 VanDerWaalsContact O-CB 3.29Å; I130-L135 WeakPolarHBondContact O-CB 3.49Å; I130-L135 PolarHBondContact O-N 3.46Å; L135-Q137 VanDerWaalsContact C-N 3.3Å; L135-Q137 PolarHBondContact O-N 3.11Å; L135-I138 PolarHBondContact O-N 3.21Å; L135-H139 PolarHBondContact O-N 3.36Å |
| 136 | P | 98.1 | Very high | 98.1 | Very high | 57 Ų | 57 | 89.5 Ų | 89.5 | 37% | 0.37 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.9 | -37.1 | 171.5 | -26.8 | 36.1 | 0 | 0 | 0 | 113.6 | V131 E133 H139 R140 | V131-P136 VanDerWaalsContact O-CD 3.29Å; V131-P136 WeakPolarHBondContact O-CD 3.29Å; E133-P136 WeakPolarHBondContact O-CD 3.3Å; P136-H139 PolarHBondContact O-N 3.11Å; P136-R140 PolarHBondContact O-N 2.86Å |
| 137 | Q | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 91.2 Ų | 91.2 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 177.8 | -175.8 | 175.6 | 3.9 | 0 | 0 | 112 | E133 N134 L135 H139 R140 Q141 | E133-Q137 VanDerWaalsContact O-CB 3.29Å; E133-Q137 WeakPolarHBondContact O-CB 3.48Å; E133-Q137 PolarHBondContact O-N 3.43Å; N134-Q137 PolarHBondContact O-N 3.01Å; L135-Q137 VanDerWaalsContact C-N 3.3Å; L135-Q137 PolarHBondContact O-N 3.11Å; Q137-H139 VanDerWaalsContact C-N 3.31Å; Q137-H139 PolarHBondContact O-N 2.84Å; Q137-R140 WeakPolarHBondContact O-CB 3.49Å; Q137-R140 PolarHBondContact O-N 3.39Å; Q137-Q141 PolarHBondContact O-N 2.71Å |
| 138 | I | 98.3 | Very high | 98 | Very high | 106 Ų | 106 | 92.3 Ų | 92.3 | 54% | 0.544 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 174.8 | -69.3 | 164.6 | 0 | 0 | 0 | 110.1 | N134 L135 R140 Q141 S142 | N134-I138 VanDerWaalsContact O-CG1 3.28Å; N134-I138 WeakPolarHBondContact O-CG1 3.24Å; N134-I138 PolarHBondContact O-N 2.85Å; L135-I138 PolarHBondContact O-N 3.21Å; I138-R140 VanDerWaalsContact C-N 3.35Å; I138-R140 PolarHBondContact O-N 3.47Å; I138-Q141 PolarHBondContact O-N 2.94Å; I138-S142 WeakPolarHBondContact O-CB 3.36Å; I138-S142 PolarHBondContact O-N 3.38Å |
| 139 | H | 98.1 | Very high | 98 | Very high | 118 Ų | 118 | 95.9 Ų | 95.9 | 55% | 0.546 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 176.1 | 179.7 | -86.3 | 0 | 0 | 0 | 111.5 | L135 P136 Q137 Q141 S142 E143 | L135-H139 PolarHBondContact O-N 3.36Å; P136-H139 PolarHBondContact O-N 3.11Å; Q137-H139 VanDerWaalsContact C-N 3.31Å; Q137-H139 PolarHBondContact O-N 2.84Å; H139-Q141 PolarHBondContact O-N 3.13Å; H139-S142 WeakPolarHBondContact O-CB 3.27Å; H139-S142 PolarHBondContact O-N 3.34Å; H139-E143 WeakPolarHBondContact O-CG 3.48Å; H139-E143 PolarHBondContact O-N 3.43Å |
| 140 | R | 98.2 | Very high | 98 | Very high | 146 Ų | 146 | 97.6 Ų | 97.6 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.2 | -46.2 | 176.5 | -171.4 | -170.6 | -57.3 | 131.7 | 4.2 | 112 | P136 Q137 I138 S142 E143 E144 | P136-R140 PolarHBondContact O-N 2.86Å; Q137-R140 WeakPolarHBondContact O-CB 3.49Å; Q137-R140 PolarHBondContact O-N 3.39Å; I138-R140 VanDerWaalsContact C-N 3.35Å; I138-R140 PolarHBondContact O-N 3.47Å; R140-S142 VanDerWaalsContact C-N 3.32Å; R140-S142 PolarHBondContact O-N 2.87Å; R140-E143 WeakPolarHBondContact O-CB 3.28Å; R140-E143 PolarHBondContact O-N 3.17Å; R140-E144 WeakPolarHBondContact O-CG 3.37Å; R140-E144 PolarHBondContact O-N 2.89Å |
| 141 | Q | 97.8 | Very high | 98 | Very high | 110 Ų | 110 | 100.1 Ų | 100.1 | 51% | 0.514 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 177.5 | -73.8 | -177 | -11.3 | 0 | 0 | 112.3 | Q137 I138 H139 E143 E144 M145 | Q137-Q141 PolarHBondContact O-N 2.71Å; I138-Q141 PolarHBondContact O-N 2.94Å; H139-Q141 PolarHBondContact O-N 3.13Å; Q141-E143 VanDerWaalsContact C-N 3.33Å; Q141-E143 PolarHBondContact O-N 3.06Å; Q141-E144 PolarHBondContact O-N 3.36Å; Q141-M145 WeakPolarHBondContact O-CB 3.38Å; Q141-M145 PolarHBondContact O-N 3.33Å |
| 142 | S | 98.3 | Very high | 98 | Very high | 57 Ų | 57 | 100.6 Ų | 100.6 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 173.7 | -172.8 | 0 | 0 | 0 | 0 | 111.7 | I138 H139 R140 M145 R146 | I138-S142 WeakPolarHBondContact O-CB 3.36Å; I138-S142 PolarHBondContact O-N 3.38Å; H139-S142 WeakPolarHBondContact O-CB 3.27Å; H139-S142 PolarHBondContact O-N 3.34Å; R140-S142 VanDerWaalsContact C-N 3.32Å; R140-S142 PolarHBondContact O-N 2.87Å; S142-M145 PolarHBondContact O-N 2.93Å; S142-R146 PolarHBondContact O-N 2.91Å |
| 143 | E | 98.2 | Very high | 98 | Very high | 47 Ų | 47 | 100.1 Ų | 100.1 | 22% | 0.22 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 174.9 | -74 | -60.6 | 136.6 | 0 | 0 | 112.6 | H139 R140 Q141 M145 R146 Q147 | H139-E143 WeakPolarHBondContact O-CG 3.48Å; H139-E143 PolarHBondContact O-N 3.43Å; R140-E143 WeakPolarHBondContact O-CB 3.28Å; R140-E143 PolarHBondContact O-N 3.17Å; Q141-E143 VanDerWaalsContact C-N 3.33Å; Q141-E143 PolarHBondContact O-N 3.06Å; E143-M145 VanDerWaalsContact C-N 3.34Å; E143-R146 WeakPolarHBondContact O-CB 3.47Å; E143-R146 PolarHBondContact O-N 2.99Å; E143-R146 IonicContact OE1-CZ 3.09Å; E143-R146 IonicContact OE1-NE 3.52Å; E143-R146 IonicContact OE1-NH1 3.79Å; E143-R146 PolarHBondContact OE1-NH1 3.5Å; E143-R146 IonicContact OE1-NH2 2.58Å; E143-R146 PolarHBondContact OE1-NH2 3.44Å; E143-R146 IonicContact OE2-CZ 2.75Å; E143-R146 IonicContact OE2-NE 3.25Å; E143-R146 IonicContact OE2-NH1 3.8Å; E143-R146 IonicContact OE2-NH2 2.72Å; E143-R146 PolarHBondContact OE2-NH2 3.02Å; E143-Q147 WeakPolarHBondContact O-CG 3.46Å; E143-Q147 PolarHBondContact O-N 2.97Å; E143-Q147 VanDerWaalsContact O-N 3.1Å |
| 144 | E | 97.9 | Very high | 98 | Very high | 103 Ų | 103 | 102 Ų | 102 | 48% | 0.481 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.8 | -71.6 | 171.4 | -171.7 | 0 | 0 | 111.1 | R140 Q141 R146 Q147 I148 | R140-E144 WeakPolarHBondContact O-CG 3.37Å; R140-E144 PolarHBondContact O-N 2.89Å; Q141-E144 PolarHBondContact O-N 3.36Å; E144-R146 VanDerWaalsContact C-N 3.3Å; E144-R146 PolarHBondContact O-N 3.23Å; E144-Q147 WeakPolarHBondContact O-CB 3Å; E144-Q147 PolarHBondContact O-N 3.17Å; E144-Q147 VanDerWaalsContact O-N 3.07Å; E144-I148 PolarHBondContact O-N 3.32Å; E144-I148 VanDerWaalsContact O-N 3.15Å |
| 145 | M | 98.3 | Very high | 98 | Very high | 91 Ų | 91 | 103.9 Ų | 103.9 | 45% | 0.448 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 176.4 | -170.7 | 172.4 | 63.6 | 0 | 0 | 111.7 | Q141 S142 E143 Q147 I148 Y149 | Q141-M145 WeakPolarHBondContact O-CB 3.38Å; Q141-M145 PolarHBondContact O-N 3.33Å; S142-M145 PolarHBondContact O-N 2.93Å; E143-M145 VanDerWaalsContact C-N 3.34Å; M145-Q147 VanDerWaalsContact C-N 3.27Å; M145-Q147 PolarHBondContact O-N 2.92Å; M145-I148 WeakPolarHBondContact O-CB 3.4Å; M145-I148 PolarHBondContact O-N 3.4Å; M145-I148 VanDerWaalsContact O-N 3.08Å; M145-Y149 HydrophobicContact CE-CE2 4.14Å; M145-Y149 HydrophobicContact CG-CD2 4.17Å; M145-Y149 HydrophobicContact CG-CE2 3.53Å; M145-Y149 WeakPolarHBondContact O-CD2 3.29Å; M145-Y149 PolarHBondContact O-N 2.76Å; M145-Y149 HydrophobicContact SD-CE2 4.05Å |
| 146 | R | 97.8 | Very high | 98 | Very high | 108 Ų | 108 | 102.4 Ų | 102.4 | 41% | 0.408 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -33.8 | 175.1 | -169.6 | 169.5 | 65.9 | -160.8 | 19.5 | 112.8 | S142 E143 E144 I148 Y149 R150 | S142-R146 PolarHBondContact O-N 2.91Å; E143-R146 WeakPolarHBondContact O-CB 3.47Å; E143-R146 PolarHBondContact O-N 2.99Å; E143-R146 IonicContact OE1-CZ 3.09Å; E143-R146 IonicContact OE1-NE 3.52Å; E143-R146 IonicContact OE1-NH1 3.79Å; E143-R146 PolarHBondContact OE1-NH1 3.5Å; E143-R146 IonicContact OE1-NH2 2.58Å; E143-R146 PolarHBondContact OE1-NH2 3.44Å; E143-R146 IonicContact OE2-CZ 2.75Å; E143-R146 IonicContact OE2-NE 3.25Å; E143-R146 IonicContact OE2-NH1 3.8Å; E143-R146 IonicContact OE2-NH2 2.72Å; E143-R146 PolarHBondContact OE2-NH2 3.02Å; E144-R146 VanDerWaalsContact C-N 3.3Å; E144-R146 PolarHBondContact O-N 3.23Å; R146-I148 VanDerWaalsContact C-N 3.34Å; R146-Y149 PolarHBondContact O-N 3.33Å; R146-R150 WeakPolarHBondContact O-CG 3.48Å; R146-R150 PolarHBondContact O-N 2.95Å; R146-R150 VanDerWaalsContact O-N 3.14Å |
| 147 | Q | 97.7 | Very high | 98 | Very high | 105 Ų | 105 | 102 Ų | 102 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.3 | -37.4 | 173.5 | -64.4 | 176.5 | 19 | 0 | 0 | 111.9 | E143 E144 M145 R150 K151 | E143-Q147 WeakPolarHBondContact O-CG 3.46Å; E143-Q147 PolarHBondContact O-N 2.97Å; E143-Q147 VanDerWaalsContact O-N 3.1Å; E144-Q147 WeakPolarHBondContact O-CB 3Å; E144-Q147 PolarHBondContact O-N 3.17Å; E144-Q147 VanDerWaalsContact O-N 3.07Å; M145-Q147 VanDerWaalsContact C-N 3.27Å; M145-Q147 PolarHBondContact O-N 2.92Å; Q147-R150 PolarHBondContact O-N 3.07Å; Q147-K151 WeakPolarHBondContact O-CG 3.5Å; Q147-K151 PolarHBondContact O-N 3.04Å; Q147-K151 VanDerWaalsContact O-N 3.15Å |
| 148 | I | 97.9 | Very high | 97.9 | Very high | 97 Ų | 97 | 100 Ų | 100 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 174.7 | -62.2 | 169.9 | 0 | 0 | 0 | 110 | E144 M145 R146 R150 K151 I152 | E144-I148 PolarHBondContact O-N 3.32Å; E144-I148 VanDerWaalsContact O-N 3.15Å; M145-I148 WeakPolarHBondContact O-CB 3.4Å; M145-I148 PolarHBondContact O-N 3.4Å; M145-I148 VanDerWaalsContact O-N 3.08Å; R146-I148 VanDerWaalsContact C-N 3.34Å; I148-R150 VanDerWaalsContact C-N 3.32Å; I148-R150 PolarHBondContact O-N 2.92Å; I148-K151 WeakPolarHBondContact O-CA 3.48Å; I148-K151 WeakPolarHBondContact O-CB 3.38Å; I148-K151 PolarHBondContact O-N 3.2Å; I148-I152 HydrophobicContact CG2-CD1 3.98Å; I148-I152 HydrophobicContact CG2-CG1 4.46Å; I148-I152 WeakPolarHBondContact O-CG1 3.42Å; I148-I152 PolarHBondContact O-N 2.91Å |
| 149 | Y | 98.2 | Very high | 97.9 | Very high | 125 Ų | 125 | 98.9 Ų | 98.9 | 49% | 0.49 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 176.7 | -68.1 | -49.9 | 0 | 0 | 0 | 112.7 | M145 R146 K151 I152 D153 | M145-Y149 HydrophobicContact CE-CE2 4.14Å; M145-Y149 HydrophobicContact CG-CD2 4.17Å; M145-Y149 HydrophobicContact CG-CE2 3.53Å; M145-Y149 WeakPolarHBondContact O-CD2 3.29Å; M145-Y149 PolarHBondContact O-N 2.76Å; M145-Y149 HydrophobicContact SD-CE2 4.05Å; R146-Y149 PolarHBondContact O-N 3.33Å; Y149-K151 VanDerWaalsContact C-N 3.26Å; Y149-K151 PolarHBondContact O-N 3.28Å; Y149-I152 HydrophobicContact CD1-CD1 4.15Å; Y149-I152 WeakPolarHBondContact O-CA 3.32Å; Y149-I152 WeakPolarHBondContact O-CB 3.37Å; Y149-I152 PolarHBondContact O-N 3.31Å; Y149-D153 VanDerWaalsContact O-CG 3.3Å; Y149-D153 PolarHBondContact O-N 3.01Å |
| 150 | R | 98 | Very high | 97.8 | Very high | 124 Ų | 124 | 99.6 Ų | 99.6 | 47% | 0.468 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -33.6 | 174.3 | -69.6 | -179.4 | -173.4 | 119.1 | -5.3 | 113.2 | R146 Q147 I148 K154 | R146-R150 WeakPolarHBondContact O-CG 3.48Å; R146-R150 PolarHBondContact O-N 2.95Å; R146-R150 VanDerWaalsContact O-N 3.14Å; Q147-R150 PolarHBondContact O-N 3.07Å; I148-R150 VanDerWaalsContact C-N 3.32Å; I148-R150 PolarHBondContact O-N 2.92Å; R150-K154 WeakPolarHBondContact O-CG 3.36Å; R150-K154 PolarHBondContact O-N 2.86Å |
| 151 | K | 97.9 | Very high | 97.7 | Very high | 148 Ų | 148 | 95.5 Ų | 95.5 | 64% | 0.643 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.5 | -39.9 | 174.5 | -69 | 176.1 | -179.4 | 178.9 | 0 | 110.9 | Q147 I148 Y149 K154 L155 | Q147-K151 WeakPolarHBondContact O-CG 3.5Å; Q147-K151 PolarHBondContact O-N 3.04Å; Q147-K151 VanDerWaalsContact O-N 3.15Å; I148-K151 WeakPolarHBondContact O-CA 3.48Å; I148-K151 WeakPolarHBondContact O-CB 3.38Å; I148-K151 PolarHBondContact O-N 3.2Å; Y149-K151 VanDerWaalsContact C-N 3.26Å; Y149-K151 PolarHBondContact O-N 3.28Å; K151-K154 PolarHBondContact O-N 3.28Å; K151-L155 PolarHBondContact O-N 3.01Å |
| 152 | I | 98 | Very high | 97.7 | Very high | 89 Ų | 89 | 92.8 Ų | 92.8 | 46% | 0.456 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 175.2 | -64.7 | 167.9 | 0 | 0 | 0 | 110.2 | I148 Y149 K154 L155 D156 | I148-I152 HydrophobicContact CG2-CD1 3.98Å; I148-I152 HydrophobicContact CG2-CG1 4.46Å; I148-I152 WeakPolarHBondContact O-CG1 3.42Å; I148-I152 PolarHBondContact O-N 2.91Å; Y149-I152 HydrophobicContact CD1-CD1 4.15Å; Y149-I152 WeakPolarHBondContact O-CA 3.32Å; Y149-I152 WeakPolarHBondContact O-CB 3.37Å; Y149-I152 PolarHBondContact O-N 3.31Å; I152-K154 VanDerWaalsContact C-N 3.33Å; I152-K154 PolarHBondContact O-N 3.25Å; I152-L155 WeakPolarHBondContact O-CB 3.47Å; I152-L155 PolarHBondContact O-N 3.09Å; I152-L155 VanDerWaalsContact O-N 3.1Å; I152-D156 PolarHBondContact O-N 3.45Å |
| 153 | D | 97.8 | Very high | 97.6 | Very high | 103 Ų | 103 | 91.6 Ų | 91.6 | 55% | 0.551 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.7 | -41.7 | 178.9 | -64.5 | -25.7 | 0 | 0 | 0 | 112.3 | Y149 L155 D156 A157 | Y149-D153 VanDerWaalsContact O-CG 3.3Å; Y149-D153 PolarHBondContact O-N 3.01Å; D153-L155 VanDerWaalsContact C-N 3.33Å; D153-L155 PolarHBondContact O-N 3.37Å; D153-D156 PolarHBondContact O-N 3.17Å; D153-A157 PolarHBondContact O-N 2.86Å |
| 154 | K | 97.6 | Very high | 97.5 | Very high | 154 Ų | 154 | 91.8 Ų | 91.8 | 67% | 0.67 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63 | -40.9 | 175 | -74.1 | 178.9 | -179.9 | -169.8 | 0 | 111.8 | R150 K151 I152 A157 F158 | R150-K154 WeakPolarHBondContact O-CG 3.36Å; R150-K154 PolarHBondContact O-N 2.86Å; K151-K154 PolarHBondContact O-N 3.28Å; I152-K154 VanDerWaalsContact C-N 3.33Å; I152-K154 PolarHBondContact O-N 3.25Å; K154-A157 PolarHBondContact O-N 3.31Å; K154-F158 WeakPolarHBondContact O-CB 3.42Å; K154-F158 PolarHBondContact O-N 3.42Å |
| 155 | L | 98.3 | Very high | 97.3 | Very high | 97 Ų | 97 | 90.5 Ų | 90.5 | 51% | 0.508 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 177.8 | -176.7 | 63.8 | 0 | 0 | 0 | 111.2 | K151 I152 D153 F158 V159 | K151-L155 PolarHBondContact O-N 3.01Å; I152-L155 WeakPolarHBondContact O-CB 3.47Å; I152-L155 PolarHBondContact O-N 3.09Å; I152-L155 VanDerWaalsContact O-N 3.1Å; D153-L155 VanDerWaalsContact C-N 3.33Å; D153-L155 PolarHBondContact O-N 3.37Å; L155-F158 HydrophobicContact CD1-CD1 4.24Å; L155-F158 WeakPolarHBondContact O-CB 3.39Å; L155-F158 PolarHBondContact O-N 3.26Å; L155-V159 WeakPolarHBondContact O-CG2 3.11Å; L155-V159 PolarHBondContact O-N 2.83Å |
| 156 | D | 97.8 | Very high | 97.2 | Very high | 75 Ų | 75 | 89.3 Ų | 89.3 | 40% | 0.401 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 175.8 | 178.8 | 61.5 | 0 | 0 | 0 | 111.7 | I152 D153 F158 V159 K160 | I152-D156 PolarHBondContact O-N 3.45Å; D153-D156 PolarHBondContact O-N 3.17Å; D156-F158 VanDerWaalsContact C-N 3.31Å; D156-F158 PolarHBondContact O-N 3.05Å; D156-V159 PolarHBondContact O-N 2.93Å; D156-K160 WeakPolarHBondContact O-CG 3.35Å; D156-K160 PolarHBondContact O-N 3.12Å; D156-K160 IonicContact OD1-NZ 3.91Å; D156-K160 VanDerWaalsContact OD2-CE 3.22Å; D156-K160 WeakPolarHBondContact OD2-CE 3.21Å; D156-K160 IonicContact OD2-NZ 2.65Å; D156-K160 PolarHBondContact OD2-NZ 2.84Å |
| 157 | A | 97.4 | Very high | 97.1 | Very high | 48 Ų | 48 | 89.1 Ų | 89.1 | 40% | 0.397 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.1 | -42.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | D153 K154 K160 I161 | D153-A157 PolarHBondContact O-N 2.86Å; K154-A157 PolarHBondContact O-N 3.31Å; A157-K160 PolarHBondContact O-N 2.95Å; A157-I161 WeakPolarHBondContact O-CG1 3.44Å; A157-I161 PolarHBondContact O-N 3.13Å; A157-I161 VanDerWaalsContact O-N 3.09Å |
| 158 | F | 96.4 | Very high | 97 | Very high | 48 Ų | 48 | 87.5 Ų | 87.5 | 21% | 0.211 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 176.3 | 170.7 | -115.9 | 0 | 0 | 0 | 112.1 | K154 L155 D156 K160 I161 V162 F220 | K154-F158 WeakPolarHBondContact O-CB 3.42Å; K154-F158 PolarHBondContact O-N 3.42Å; L155-F158 HydrophobicContact CD1-CD1 4.24Å; L155-F158 WeakPolarHBondContact O-CB 3.39Å; L155-F158 PolarHBondContact O-N 3.26Å; D156-F158 VanDerWaalsContact C-N 3.31Å; D156-F158 PolarHBondContact O-N 3.05Å; F158-K160 VanDerWaalsContact C-N 3.29Å; F158-K160 PolarHBondContact O-N 3.37Å; F158-I161 PolarHBondContact O-N 3.04Å; F158-I161 VanDerWaalsContact O-N 3.16Å; F158-V162 HydrophobicContact CD2-CG2 4.01Å; F158-V162 HydrophobicContact CE1-CG2 4.13Å; F158-V162 HydrophobicContact CE2-CG2 3.32Å; F158-V162 HydrophobicContact CZ-CG2 3.45Å; F158-V162 VanDerWaalsContact CZ-CG2 3.45Å; F158-V162 WeakPolarHBondContact O-CG2 3.31Å; F158-V162 PolarHBondContact O-N 3.03Å; F158-F220 HydrophobicContact CD2-CD2 4.39Å; F158-F220 HydrophobicContact CD2-CE1 4.09Å; F158-F220 AromaticContact CD2-CE2 3.55Å; F158-F220 HydrophobicContact CD2-CE2 3.55Å; F158-F220 AromaticContact CD2-CZ 3.41Å; F158-F220 HydrophobicContact CD2-CZ 3.41Å; F158-F220 VanDerWaalsContact CD2-CZ 3.41Å; F158-F220 AromaticContact CE2-CD1 3.74Å; F158-F220 HydrophobicContact CE2-CD1 3.74Å; F158-F220 AromaticContact CE2-CD2 3.89Å; F158-F220 HydrophobicContact CE2-CD2 3.89Å; F158-F220 AromaticContact CE2-CE1 3.14Å; F158-F220 HydrophobicContact CE2-CE1 3.14Å; F158-F220 AromaticContact CE2-CE2 3.3Å; F158-F220 HydrophobicContact CE2-CE2 3.3Å; F158-F220 HydrophobicContact CE2-CG 4.1Å; F158-F220 AromaticContact CE2-CZ 2.92Å; F158-F220 HydrophobicContact CE2-CZ 2.92Å; F158-F220 HydrophobicContact CZ-CD1 4.19Å; F158-F220 AromaticContact CZ-CE1 3.59Å; F158-F220 HydrophobicContact CZ-CE1 3.59Å; F158-F220 HydrophobicContact CZ-CE2 4.47Å; F158-F220 AromaticContact CZ-CZ 3.79Å; F158-F220 HydrophobicContact CZ-CZ 3.79Å |
| 159 | V | 97.9 | Very high | 96.8 | Very high | 84 Ų | 84 | 88.2 Ų | 88.2 | 51% | 0.509 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 177.8 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | L155 D156 I161 V162 G163 | L155-V159 WeakPolarHBondContact O-CG2 3.11Å; L155-V159 PolarHBondContact O-N 2.83Å; D156-V159 PolarHBondContact O-N 2.93Å; V159-I161 PolarHBondContact O-N 3.43Å; V159-V162 PolarHBondContact O-N 3Å; V159-G163 PolarHBondContact O-N 3.39Å |
| 160 | K | 97.3 | Very high | 96.6 | Very high | 133 Ų | 133 | 88 Ų | 88 | 58% | 0.578 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.7 | -43.3 | 174.9 | -75.2 | 168.4 | 175.6 | 163.7 | 0 | 112.5 | D156 A157 F158 G163 A164 | D156-K160 WeakPolarHBondContact O-CG 3.35Å; D156-K160 PolarHBondContact O-N 3.12Å; D156-K160 IonicContact OD1-NZ 3.91Å; D156-K160 VanDerWaalsContact OD2-CE 3.22Å; D156-K160 WeakPolarHBondContact OD2-CE 3.21Å; D156-K160 IonicContact OD2-NZ 2.65Å; D156-K160 PolarHBondContact OD2-NZ 2.84Å; A157-K160 PolarHBondContact O-N 2.95Å; F158-K160 VanDerWaalsContact C-N 3.29Å; F158-K160 PolarHBondContact O-N 3.37Å; K160-G163 PolarHBondContact O-N 3.26Å; K160-A164 PolarHBondContact O-N 2.8Å |
| 161 | I | 96.4 | Very high | 96.3 | Very high | 60 Ų | 60 | 88.2 Ų | 88.2 | 31% | 0.308 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 176.8 | -67.3 | 165.9 | 0 | 0 | 0 | 110.5 | A157 F158 V159 G163 A164 N165 Y225 | A157-I161 WeakPolarHBondContact O-CG1 3.44Å; A157-I161 PolarHBondContact O-N 3.13Å; A157-I161 VanDerWaalsContact O-N 3.09Å; F158-I161 PolarHBondContact O-N 3.04Å; F158-I161 VanDerWaalsContact O-N 3.16Å; V159-I161 PolarHBondContact O-N 3.43Å; I161-G163 VanDerWaalsContact C-N 3.33Å; I161-G163 PolarHBondContact O-N 3.45Å; I161-A164 PolarHBondContact O-N 3.01Å; I161-N165 PolarHBondContact O-N 3.32Å; I161-Y225 HydrophobicContact CD1-CE1 4.37Å |
| 162 | V | 96.9 | Very high | 96 | Very high | 53 Ų | 53 | 85.9 Ų | 85.9 | 32% | 0.321 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | F158 V159 A164 N165 V166 | F158-V162 HydrophobicContact CD2-CG2 4.01Å; F158-V162 HydrophobicContact CE1-CG2 4.13Å; F158-V162 HydrophobicContact CE2-CG2 3.32Å; F158-V162 HydrophobicContact CZ-CG2 3.45Å; F158-V162 VanDerWaalsContact CZ-CG2 3.45Å; F158-V162 WeakPolarHBondContact O-CG2 3.31Å; F158-V162 PolarHBondContact O-N 3.03Å; V159-V162 PolarHBondContact O-N 3Å; V162-A164 VanDerWaalsContact C-N 3.35Å; V162-A164 PolarHBondContact O-N 2.9Å; V162-N165 PolarHBondContact O-N 2.95Å; V162-V166 HydrophobicContact CG1-CG2 4.33Å; V162-V166 WeakPolarHBondContact O-CG2 3.46Å; V162-V166 PolarHBondContact O-N 2.95Å |
| 163 | G | 96.1 | Very high | 95.7 | Very high | 32 Ų | 32 | 85.1 Ų | 85.1 | 33% | 0.33 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V159 K160 I161 V166 N167 | V159-G163 PolarHBondContact O-N 3.39Å; K160-G163 PolarHBondContact O-N 3.26Å; I161-G163 VanDerWaalsContact C-N 3.33Å; I161-G163 PolarHBondContact O-N 3.45Å; G163-V166 PolarHBondContact O-N 2.85Å; G163-N167 PolarHBondContact O-N 2.91Å; G163-N167 PolarHBondContact O-OD1 2.93Å |
| 164 | A | 95.9 | Very high | 95.3 | Very high | 50 Ų | 50 | 82.7 Ų | 82.7 | 41% | 0.413 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K160 I161 V162 V166 N167 V168 | K160-A164 PolarHBondContact O-N 2.8Å; I161-A164 PolarHBondContact O-N 3.01Å; V162-A164 VanDerWaalsContact C-N 3.35Å; V162-A164 PolarHBondContact O-N 2.9Å; A164-V166 PolarHBondContact O-N 3.43Å; A164-N167 PolarHBondContact O-N 3.19Å; A164-V168 WeakPolarHBondContact O-CG2 3.27Å; A164-V168 PolarHBondContact O-N 2.76Å |
| 165 | N | 94.5 | Very high | 94.9 | Very high | 76 Ų | 76 | 79.7 Ų | 79.7 | 41% | 0.406 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 178.4 | -71.5 | -11.9 | 0 | 0 | 0 | 112.3 | I161 V162 V168 M169 | I161-N165 PolarHBondContact O-N 3.32Å; V162-N165 PolarHBondContact O-N 2.95Å; N165-V168 PolarHBondContact O-N 2.95Å; N165-M169 WeakPolarHBondContact O-CB 3.14Å; N165-M169 PolarHBondContact O-N 2.91Å |
| 166 | V | 96.5 | Very high | 94.2 | Very high | 67 Ų | 67 | 77.5 Ų | 77.5 | 41% | 0.406 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V162 G163 A164 V168 M169 E170 | V162-V166 HydrophobicContact CG1-CG2 4.33Å; V162-V166 WeakPolarHBondContact O-CG2 3.46Å; V162-V166 PolarHBondContact O-N 2.95Å; G163-V166 PolarHBondContact O-N 2.85Å; A164-V166 PolarHBondContact O-N 3.43Å; V166-V168 VanDerWaalsContact C-N 3.34Å; V166-V168 PolarHBondContact O-N 3.07Å; V166-M169 PolarHBondContact O-N 2.88Å; V166-E170 WeakPolarHBondContact O-CB 3.36Å; V166-E170 PolarHBondContact O-N 3.43Å |
| 167 | N | 95.2 | Very high | 93.6 | Very high | 103 Ų | 103 | 80 Ų | 80 | 55% | 0.551 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -59.9 | -43.6 | 175.8 | -74 | -2.3 | 0 | 0 | 0 | 111.9 | G163 A164 M169 E170 E171 | G163-N167 PolarHBondContact O-N 2.91Å; G163-N167 PolarHBondContact O-OD1 2.93Å; A164-N167 PolarHBondContact O-N 3.19Å; N167-M169 VanDerWaalsContact C-N 3.33Å; N167-M169 PolarHBondContact O-N 3.17Å; N167-E170 PolarHBondContact O-N 2.98Å; N167-E171 PolarHBondContact O-N 2.83Å |
| 168 | V | 94.4 | Very high | 92.8 | Very high | 72 Ų | 72 | 84.4 Ų | 84.4 | 44% | 0.436 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 175.7 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | A164 N165 V166 E171 Q172 | A164-V168 WeakPolarHBondContact O-CG2 3.27Å; A164-V168 PolarHBondContact O-N 2.76Å; N165-V168 PolarHBondContact O-N 2.95Å; V166-V168 VanDerWaalsContact C-N 3.34Å; V166-V168 PolarHBondContact O-N 3.07Å; V168-E171 PolarHBondContact O-N 3.46Å; V168-Q172 WeakPolarHBondContact O-CG 3.3Å; V168-Q172 PolarHBondContact O-N 2.97Å |
| 169 | M | 93.9 | Very high | 91.8 | Very high | 112 Ų | 112 | 87.2 Ų | 87.2 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65 | -41.3 | 178.3 | -173.3 | 175.7 | 63.7 | 0 | 0 | 111.9 | N165 V166 N167 Q172 V173 | N165-M169 WeakPolarHBondContact O-CB 3.14Å; N165-M169 PolarHBondContact O-N 2.91Å; V166-M169 PolarHBondContact O-N 2.88Å; N167-M169 VanDerWaalsContact C-N 3.33Å; N167-M169 PolarHBondContact O-N 3.17Å; M169-Q172 PolarHBondContact O-N 3.37Å; M169-V173 VanDerWaalsContact O-CG2 3.3Å; M169-V173 WeakPolarHBondContact O-CG2 3.3Å; M169-V173 PolarHBondContact O-N 3.37Å |
| 170 | E | 93.7 | Very high | 90.1 | Very high | 119 Ų | 119 | 90.8 Ų | 90.8 | 56% | 0.556 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 176.3 | -176 | 176.4 | -174.1 | 0 | 0 | 111.5 | V166 N167 V173 T174 | V166-E170 WeakPolarHBondContact O-CB 3.36Å; V166-E170 PolarHBondContact O-N 3.43Å; N167-E170 PolarHBondContact O-N 2.98Å; E170-V173 PolarHBondContact O-N 2.84Å; E170-T174 WeakPolarHBondContact O-CB 3.43Å; E170-T174 PolarHBondContact O-N 3.36Å; E170-T174 PolarHBondContact O-OG1 3.45Å |
| 171 | E | 93.2 | Very high | 88.2 | Confident | 130 Ų | 130 | 87.8 Ų | 87.8 | 61% | 0.607 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.7 | -43.6 | 176.1 | -175.4 | 169.9 | -159.2 | 0 | 0 | 111.9 | N167 V168 T174 Q175 | N167-E171 PolarHBondContact O-N 2.83Å; V168-E171 PolarHBondContact O-N 3.46Å; E171-T174 PolarHBondContact O-N 3Å; E171-Q175 WeakPolarHBondContact O-CB 3.4Å; E171-Q175 PolarHBondContact O-N 3.48Å |
| 172 | Q | 90 | Very high | 86.2 | Confident | 98 Ų | 98 | 89.9 Ų | 89.9 | 46% | 0.458 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 176.3 | -73 | -176.8 | 16.2 | 0 | 0 | 112.3 | V168 M169 Q175 A176 | V168-Q172 WeakPolarHBondContact O-CG 3.3Å; V168-Q172 PolarHBondContact O-N 2.97Å; M169-Q172 PolarHBondContact O-N 3.37Å; Q172-Q175 PolarHBondContact O-N 3.1Å; Q172-A176 WeakPolarHBondContact O-CB 3.35Å; Q172-A176 PolarHBondContact O-N 3.36Å |
| 173 | V | 92.4 | Very high | 84.2 | Confident | 74 Ų | 74 | 92.8 Ų | 92.8 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 175.3 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | M169 E170 Q175 A176 E177 | M169-V173 VanDerWaalsContact O-CG2 3.3Å; M169-V173 WeakPolarHBondContact O-CG2 3.3Å; M169-V173 PolarHBondContact O-N 3.37Å; E170-V173 PolarHBondContact O-N 2.84Å; V173-Q175 VanDerWaalsContact C-N 3.27Å; V173-Q175 PolarHBondContact O-N 2.76Å; V173-A176 PolarHBondContact O-N 3.34Å; V173-E177 HydrophobicContact CG1-CG 4.37Å; V173-E177 WeakPolarHBondContact O-CB 3.46Å; V173-E177 WeakPolarHBondContact O-CG 3.28Å; V173-E177 PolarHBondContact O-N 3.11Å |
| 174 | T | 90.3 | Very high | 82.1 | Confident | 52 Ų | 52 | 93.3 Ų | 93.3 | 32% | 0.319 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.9 | -37.3 | 177.7 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | E170 E171 R178 | E170-T174 WeakPolarHBondContact O-CB 3.43Å; E170-T174 PolarHBondContact O-N 3.36Å; E170-T174 PolarHBondContact O-OG1 3.45Å; E171-T174 PolarHBondContact O-N 3Å; T174-R178 VanDerWaalsContact CG2-NH2 3.34Å; T174-R178 PolarHBondContact O-N 2.89Å |
| 175 | Q | 87.9 | Confident | 80.1 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -47.1 | 175.2 | -179.7 | 171.7 | -1.9 | 0 | 0 | 111.8 | E171 Q172 V173 E177 R178 E179 | E171-Q175 WeakPolarHBondContact O-CB 3.4Å; E171-Q175 PolarHBondContact O-N 3.48Å; Q172-Q175 PolarHBondContact O-N 3.1Å; V173-Q175 VanDerWaalsContact C-N 3.27Å; V173-Q175 PolarHBondContact O-N 2.76Å; Q175-E177 VanDerWaalsContact C-N 3.32Å; Q175-E177 PolarHBondContact O-N 3.42Å; Q175-R178 WeakPolarHBondContact O-CB 3.34Å; Q175-R178 PolarHBondContact O-N 2.93Å; Q175-E179 VanDerWaalsContact CG-OE1 3.31Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.2Å; Q175-E179 PolarHBondContact NE2-OE1 2.92Å; Q175-E179 WeakPolarHBondContact O-CG 3.28Å; Q175-E179 PolarHBondContact O-N 3.42Å |
| 176 | A | 84.4 | Confident | 78.2 | Confident | 51 Ų | 51 | 93.8 Ų | 93.8 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q172 V173 E179 Q180 | Q172-A176 WeakPolarHBondContact O-CB 3.35Å; Q172-A176 PolarHBondContact O-N 3.36Å; V173-A176 PolarHBondContact O-N 3.34Å; A176-E179 PolarHBondContact O-N 2.96Å; A176-Q180 VanDerWaalsContact O-CB 3.25Å; A176-Q180 WeakPolarHBondContact O-CB 3.44Å; A176-Q180 PolarHBondContact O-N 3.27Å |
| 177 | E | 84.7 | Confident | 76.2 | Confident | 127 Ų | 127 | 96.1 Ų | 96.1 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 174.6 | -74.4 | -178 | 172.3 | 0 | 0 | 112.3 | V173 Q175 Q180 G181 | V173-E177 HydrophobicContact CG1-CG 4.37Å; V173-E177 WeakPolarHBondContact O-CB 3.46Å; V173-E177 WeakPolarHBondContact O-CG 3.28Å; V173-E177 PolarHBondContact O-N 3.11Å; Q175-E177 VanDerWaalsContact C-N 3.32Å; Q175-E177 PolarHBondContact O-N 3.42Å; E177-Q180 PolarHBondContact O-N 3.2Å; E177-G181 PolarHBondContact O-N 3.44Å |
| 178 | R | 81 | Confident | 74.3 | Confident | 141 Ų | 141 | 100 Ų | 100 | 53% | 0.532 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 173.4 | -86.2 | -174.9 | -103.4 | 113.7 | -5.3 | 111.7 | T174 Q175 G181 T182 | T174-R178 VanDerWaalsContact CG2-NH2 3.34Å; T174-R178 PolarHBondContact O-N 2.89Å; Q175-R178 WeakPolarHBondContact O-CB 3.34Å; Q175-R178 PolarHBondContact O-N 2.93Å; R178-G181 PolarHBondContact O-N 3.46Å; R178-T182 VanDerWaalsContact O-CB 3.3Å; R178-T182 WeakPolarHBondContact O-CB 3.29Å; R178-T182 VanDerWaalsContact O-CG2 3.23Å; R178-T182 WeakPolarHBondContact O-CG2 3.47Å; R178-T182 PolarHBondContact O-N 3.35Å; R178-T182 PolarHBondContact O-OG1 3.39Å |
| 179 | E | 75.1 | Confident | 72.5 | Confident | 108 Ų | 108 | 104.2 Ų | 104.2 | 51% | 0.505 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.6 | -37.1 | 179.5 | -70.2 | 174.9 | -165.9 | 0 | 0 | 111.9 | Q175 A176 T182 L183 | Q175-E179 VanDerWaalsContact CG-OE1 3.31Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.2Å; Q175-E179 PolarHBondContact NE2-OE1 2.92Å; Q175-E179 WeakPolarHBondContact O-CG 3.28Å; Q175-E179 PolarHBondContact O-N 3.42Å; A176-E179 PolarHBondContact O-N 2.96Å; E179-T182 WeakPolarHBondContact CA-OG1 3.27Å; E179-T182 PolarHBondContact O-N 3.47Å; E179-T182 PolarHBondContact O-OG1 3.31Å; E179-L183 PolarHBondContact O-N 3.43Å; E179-L183 VanDerWaalsContact O-N 3.14Å |
| 180 | Q | 62.7 | Low | 70.7 | Confident | 158 Ų | 158 | 105.4 Ų | 105.4 | 74% | 0.738 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.3 | -34 | 175.3 | -169.7 | 165.2 | 9.9 | 0 | 0 | 112.9 | A176 E177 T182 | A176-Q180 VanDerWaalsContact O-CB 3.25Å; A176-Q180 WeakPolarHBondContact O-CB 3.44Å; A176-Q180 PolarHBondContact O-N 3.27Å; E177-Q180 PolarHBondContact O-N 3.2Å; Q180-T182 VanDerWaalsContact C-N 3.3Å |
| 181 | G | 56.8 | Low | 69 | Low | 70 Ų | 70 | 107.7 Ų | 107.7 | 72% | 0.722 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.7 | -23.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E177 R178 | E177-G181 PolarHBondContact O-N 3.44Å; R178-G181 PolarHBondContact O-N 3.46Å |
| 182 | T | 55.4 | Low | 67.2 | Low | 104 Ų | 104 | 110.4 Ų | 110.4 | 64% | 0.638 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -97.4 | -5.8 | -179.6 | 52.8 | 0 | 0 | 0 | 0 | 114.5 | R178 E179 Q180 | R178-T182 VanDerWaalsContact O-CB 3.3Å; R178-T182 WeakPolarHBondContact O-CB 3.29Å; R178-T182 VanDerWaalsContact O-CG2 3.23Å; R178-T182 WeakPolarHBondContact O-CG2 3.47Å; R178-T182 PolarHBondContact O-N 3.35Å; R178-T182 PolarHBondContact O-OG1 3.39Å; E179-T182 WeakPolarHBondContact CA-OG1 3.27Å; E179-T182 PolarHBondContact O-N 3.47Å; E179-T182 PolarHBondContact O-OG1 3.31Å; Q180-T182 VanDerWaalsContact C-N 3.3Å |
| 183 | L | 53.3 | Low | 65.5 | Low | 115 Ų | 115 | 111.3 Ų | 111.3 | 60% | 0.602 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -134.5 | 134.3 | 172.7 | -72.2 | -179.5 | 0 | 0 | 0 | 114.1 | E179 | E179-L183 PolarHBondContact O-N 3.43Å; E179-L183 VanDerWaalsContact O-N 3.14Å |
| 184 | P | 53.4 | Low | 63.6 | Low | 43 Ų | 43 | 116 Ų | 116 | 28% | 0.279 | 60% | 0.601 | S | S | . | * | -145.3 | 137 | -50.5 | 29.7 | -8.8 | 0 | 0 | 0 | 113.4 | A186 F187 | P184-A186 HydrophobicContact CB-CB 3.8Å; P184-A186 PolarHBondContact O-N 2.96Å; P184-F187 HydrophobicContact CB-CD2 4.35Å; P184-F187 HydrophobicContact CG-CB 3.79Å; P184-F187 HydrophobicContact CG-CD1 4.37Å; P184-F187 HydrophobicContact CG-CD2 2.88Å; P184-F187 HydrophobicContact CG-CE2 3.28Å; P184-F187 HydrophobicContact CG-CG 3.44Å; P184-F187 VanDerWaalsContact CG-CG 3.44Å; P184-F187 HydrophobicContact CG-CZ 4.2Å; P184-F187 PolarHBondContact O-N 3Å; P184-F187 VanDerWaalsContact O-N 3.12Å | |||
| 185 | G | 52.8 | Low | 61.6 | Low | 69 Ų | 69 | 120.1 Ų | 120.1 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -55.9 | -14.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K189 | G185-K189 PolarHBondContact O-N 3.46Å |
| 186 | A | 54.8 | Low | 59.8 | Low | 66 Ų | 66 | 122.4 Ų | 122.4 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -73.9 | -32.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P184 K189 M190 | P184-A186 HydrophobicContact CB-CB 3.8Å; P184-A186 PolarHBondContact O-N 2.96Å; A186-K189 WeakPolarHBondContact O-CB 3.17Å; A186-K189 PolarHBondContact O-N 3.38Å; A186-M190 PolarHBondContact O-N 3.25Å; A186-M190 VanDerWaalsContact O-N 3.13Å |
| 187 | F | 54.6 | Low | 58.3 | Low | 117 Ų | 117 | 125.5 Ų | 125.5 | 51% | 0.513 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -72.9 | -34.6 | 174 | -74.2 | -45.4 | 0 | 0 | 0 | 110.8 | P184 K189 M190 F191 | P184-F187 HydrophobicContact CB-CD2 4.35Å; P184-F187 HydrophobicContact CG-CB 3.79Å; P184-F187 HydrophobicContact CG-CD1 4.37Å; P184-F187 HydrophobicContact CG-CD2 2.88Å; P184-F187 HydrophobicContact CG-CE2 3.28Å; P184-F187 HydrophobicContact CG-CG 3.44Å; P184-F187 VanDerWaalsContact CG-CG 3.44Å; P184-F187 HydrophobicContact CG-CZ 4.2Å; P184-F187 PolarHBondContact O-N 3Å; P184-F187 VanDerWaalsContact O-N 3.12Å; F187-K189 PolarHBondContact O-N 3.38Å; F187-M190 PolarHBondContact O-N 3.19Å; F187-M190 VanDerWaalsContact O-N 3.1Å; F187-F191 VanDerWaalsContact O-CD2 3.27Å; F187-F191 WeakPolarHBondContact O-CD2 3.27Å; F187-F191 PolarHBondContact O-N 3.43Å |
| 188 | R | 56.1 | Low | 56.3 | Low | 183 Ų | 183 | 123 Ų | 123 | 69% | 0.691 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -63.7 | -23.6 | 171.9 | -166.1 | 170.6 | 175 | 145.2 | -1.6 | 112.8 | ||
| 189 | K | 56.3 | Low | 54.8 | Low | 161 Ų | 161 | 125.7 Ų | 125.7 | 70% | 0.7 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -76.6 | -40.4 | 171 | -118.4 | 178.6 | 179.8 | -179.7 | 0 | 112 | G185 A186 F187 R192 T193 | G185-K189 PolarHBondContact O-N 3.46Å; A186-K189 WeakPolarHBondContact O-CB 3.17Å; A186-K189 PolarHBondContact O-N 3.38Å; F187-K189 PolarHBondContact O-N 3.38Å; K189-R192 PolarHBondContact O-N 2.91Å; K189-T193 PolarHBondContact O-OG1 3.49Å |
| 190 | M | 55.9 | Low | 53.8 | Low | 138 Ų | 138 | 128.8 Ų | 128.8 | 68% | 0.68 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -65.1 | -37.1 | 175.1 | -95.2 | -69.7 | -170.5 | 0 | 0 | 113.4 | A186 F187 R192 T193 | A186-M190 PolarHBondContact O-N 3.25Å; A186-M190 VanDerWaalsContact O-N 3.13Å; F187-M190 PolarHBondContact O-N 3.19Å; F187-M190 VanDerWaalsContact O-N 3.1Å; M190-R192 VanDerWaalsContact C-N 3.26Å; M190-R192 PolarHBondContact O-N 3.36Å; M190-T193 PolarHBondContact O-N 3.15Å |
| 191 | F | 58.2 | Low | 52.6 | Low | 167 Ų | 167 | 129 Ų | 129 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -75.3 | -7.4 | 176.1 | -79.4 | -76.3 | 0 | 0 | 0 | 114.6 | F187 | F187-F191 VanDerWaalsContact O-CD2 3.27Å; F187-F191 WeakPolarHBondContact O-CD2 3.27Å; F187-F191 PolarHBondContact O-N 3.43Å |
| 192 | R | 55.2 | Low | 51.7 | Low | 186 Ų | 186 | 135.2 Ų | 135.2 | 70% | 0.702 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -91.6 | -14.7 | 172.4 | -83 | -175.3 | 179.6 | -175.6 | -0.5 | 113.7 | K189 M190 | K189-R192 PolarHBondContact O-N 2.91Å; M190-R192 VanDerWaalsContact C-N 3.26Å; M190-R192 PolarHBondContact O-N 3.36Å |
| 193 | T | 54.7 | Low | 51.1 | Low | 118 Ų | 118 | 136.3 Ų | 136.3 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -94.8 | -10.7 | -177.6 | -43.2 | 0 | 0 | 0 | 0 | 113 | K189 M190 | K189-T193 PolarHBondContact O-OG1 3.49Å; M190-T193 PolarHBondContact O-N 3.15Å |
| 194 | M | 51 | Low | 50.2 | Low | 172 Ų | 172 | 135.7 Ų | 135.7 | 85% | 0.847 | 73% | 0.733 | S | S | * | * | trans | -108.9 | 75.2 | 171.5 | -85.6 | 178.3 | 150.1 | 0 | 0 | 110.2 | ||||
| 195 | N | 48.8 | Very low | 49.4 | Very low | 139 Ų | 139 | 138.8 Ų | 138.8 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | -111.7 | 135.9 | 160.1 | -105.3 | -8.7 | 0 | 0 | 0 | 108.8 | ||||
| 196 | V | 49.7 | Very low | 48.9 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 82.2 | 152.3 | 167.5 | -119.7 | 0 | 0 | 0 | 0 | 118.9 | ||
| 197 | P | 53.3 | Low | 47.9 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -126.8 | 162 | -90 | 41.7 | -27 | 0 | 0 | 0 | 112.7 | |||||
| 198 | G | 43 | Very low | 47.2 | Very low | 75 Ų | 75 | 155.1 Ų | 155.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -164.5 | 107.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 199 | F | 50 | Low | 46.3 | Very low | 198 Ų | 198 | 155 Ų | 155 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -47.7 | 133.1 | 170.4 | -67.6 | -99.9 | 0 | 0 | 0 | 112.4 | ||||
| 200 | L | 53 | Low | 45.6 | Very low | 173 Ų | 173 | 156 Ų | 156 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | 178 | 124.4 | 127.5 | -95 | 150.3 | 0 | 0 | 0 | 111.4 | |||||
| 201 | N | 39.4 | Very low | 44.7 | Very low | 163 Ų | 163 | 157 Ų | 157 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -57.6 | 132.2 | 172 | -70.8 | -64.4 | 0 | 0 | 0 | 112.6 | ||||
| 202 | K | 36.3 | Very low | 43.9 | Very low | 200 Ų | 200 | 157.5 Ų | 157.5 | 87% | 0.87 | 82% | 0.817 | S | S | * | * | trans | -160.6 | 136 | 144.1 | -147 | 141.1 | 176.3 | 168 | 0 | 110.6 | ||||
| 203 | P | 42.9 | Very low | 43.3 | Very low | 126 Ų | 126 | 155.2 Ų | 155.2 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -74.4 | 154.5 | -172.7 | 30.2 | -33.5 | 0 | 0 | 0 | 112.8 | ||||
| 204 | A | 34.8 | Very low | 42.9 | Very low | 102 Ų | 102 | 158.4 Ų | 158.4 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | -57.3 | 145.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 205 | S | 37.7 | Very low | 43 | Very low | 108 Ų | 108 | 158.9 Ų | 158.9 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -134.1 | 121.1 | 150.4 | -176.6 | 0 | 0 | 0 | 0 | 107.1 | R207 | S205-R207 PolarHBondContact O-N 3.28Š| ||
| 206 | P | 40.9 | Very low | 43.4 | Very low | 128 Ų | 128 | 159.6 Ų | 159.6 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | trans | -79.3 | 104.4 | -175.4 | 30.1 | -29.5 | 0 | 0 | 0 | 109.5 | R208 | P206-R208 PolarHBondContact O-N 3.39Š| ||
| 207 | R | 34.4 | Very low | 43.9 | Very low | 234 Ų | 234 | 156.1 Ų | 156.1 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -84.3 | 107 | 173.2 | -157.8 | 174.1 | -174.8 | 172.9 | 0.3 | 108.4 | S205 H209 | S205-R207 PolarHBondContact O-N 3.28Å; R207-H209 PolarHBondContact O-N 3Å | ||
| 208 | R | 40.1 | Very low | 44.6 | Very low | 234 Ų | 234 | 156.5 Ų | 156.5 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | 13.5 | 96.6 | 161.4 | -76.4 | -179.8 | 176.3 | 166.1 | -2.3 | 115.4 | P206 Q210 | P206-R208 PolarHBondContact O-N 3.39Å; R208-Q210 PolarHBondContact O-N 3.34Å | ||
| 209 | H | 36.7 | Very low | 46.1 | Very low | 181 Ų | 181 | 158.9 Ų | 158.9 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -72.3 | 118.3 | 140.8 | -75 | 75.2 | 0 | 0 | 0 | 105.5 | R207 Q211 | R207-H209 PolarHBondContact O-N 3Å; H209-Q211 VanDerWaalsContact C-N 3.25Å; H209-Q211 PolarHBondContact O-N 3.1Å | ||
| 210 | Q | 41.5 | Very low | 47 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | -55.9 | 101.3 | 159.5 | -84.7 | 166.1 | -34.7 | 0 | 0 | 105.8 | R208 H212 | R208-Q210 PolarHBondContact O-N 3.34Å; Q210-H212 VanDerWaalsContact C-N 3.3Å; Q210-H212 PolarHBondContact O-N 2.84Å | ||
| 211 | Q | 37.7 | Very low | 48.2 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -59.7 | 106.6 | 157.2 | -68.3 | 176.3 | -12.8 | 0 | 0 | 103.4 | H209 D213 | H209-Q211 VanDerWaalsContact C-N 3.25Å; H209-Q211 PolarHBondContact O-N 3.1Å; Q211-D213 PolarHBondContact O-N 2.9Å | ||
| 212 | H | 41.5 | Very low | 49.6 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | trans | -56.7 | 105.3 | 149.6 | -95.1 | -90.3 | 0 | 0 | 0 | 103.4 | Q210 Q214 | Q210-H212 VanDerWaalsContact C-N 3.3Å; Q210-H212 PolarHBondContact O-N 2.84Å; H212-Q214 PolarHBondContact O-N 3.47Å | ||
| 213 | D | 42.8 | Very low | 51.4 | Low | 138 Ų | 138 | 141.6 Ų | 141.6 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | trans | -55.8 | 94.3 | 169.3 | -69.2 | -46.5 | 0 | 0 | 0 | 105.8 | Q211 E215 | Q211-D213 PolarHBondContact O-N 2.9Å; D213-E215 PolarHBondContact O-N 3.4Å | ||
| 214 | Q | 44.6 | Very low | 52.9 | Low | 185 Ų | 185 | 141.4 Ų | 141.4 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -64.2 | 85.6 | 157.2 | -92 | 179.4 | -47.4 | 0 | 0 | 104.4 | H212 L216 | H212-Q214 PolarHBondContact O-N 3.47Å; Q214-L216 VanDerWaalsContact C-N 3.29Å; Q214-L216 PolarHBondContact O-N 2.83Å | ||
| 215 | E | 53.1 | Low | 54.4 | Low | 181 Ų | 181 | 142.9 Ų | 142.9 | 85% | 0.846 | 71% | 0.708 | S | S | * | * | trans | -62.7 | 99.9 | 170.2 | -167.4 | 171.1 | -171.7 | 0 | 0 | 105.9 | D213 | D213-E215 PolarHBondContact O-N 3.4Š| ||
| 216 | L | 58.3 | Low | 56.1 | Low | 155 Ų | 155 | 142.6 Ų | 142.6 | 81% | 0.812 | 69% | 0.694 | S | S | * | * | trans | -51.1 | 123.2 | 178.2 | -79.8 | 151.5 | 0 | 0 | 0 | 107.8 | Q214 | Q214-L216 VanDerWaalsContact C-N 3.29Å; Q214-L216 PolarHBondContact O-N 2.83Å | ||
| 217 | P | 59.8 | Low | 57.3 | Low | 64 Ų | 64 | 142.5 Ų | 142.5 | 42% | 0.416 | 69% | 0.691 | S | S | . | * | trans | -54 | 135.9 | 178.3 | -23.4 | 31.2 | 0 | 0 | 0 | 109.3 | V219 | P217-V219 PolarHBondContact O-N 3.42Š| ||
| 218 | P | 68.1 | Low | 58.5 | Low | 123 Ų | 123 | 139.1 Ų | 139.1 | 80% | 0.799 | 69% | 0.685 | S | S | * | * | trans | -57.4 | 111.5 | -178.8 | 21.6 | -31.3 | 0 | 0 | 0 | 109.1 | F220 | P218-F220 PolarHBondContact O-N 3.27Š| ||
| 219 | V | 74.2 | Confident | 59.2 | Low | 125 Ų | 125 | 136.4 Ų | 136.4 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | trans | -66.8 | 126.4 | -179.5 | 178.4 | 0 | 0 | 0 | 0 | 108 | P217 K221 | P217-V219 PolarHBondContact O-N 3.42Å; V219-K221 PolarHBondContact O-N 2.67Å | ||
| 220 | F | 68.4 | Low | 60.3 | Low | 50 Ų | 50 | 133.6 Ų | 133.6 | 22% | 0.219 | 68% | 0.68 | C | S | . | * | trans | -54.8 | 123.3 | 175.6 | 173.5 | -91.5 | 0 | 0 | 0 | 110.2 | F158 P218 Y225 | F158-F220 HydrophobicContact CD2-CD2 4.39Å; F158-F220 HydrophobicContact CD2-CE1 4.09Å; F158-F220 AromaticContact CD2-CE2 3.55Å; F158-F220 HydrophobicContact CD2-CE2 3.55Å; F158-F220 AromaticContact CD2-CZ 3.41Å; F158-F220 HydrophobicContact CD2-CZ 3.41Å; F158-F220 VanDerWaalsContact CD2-CZ 3.41Å; F158-F220 AromaticContact CE2-CD1 3.74Å; F158-F220 HydrophobicContact CE2-CD1 3.74Å; F158-F220 AromaticContact CE2-CD2 3.89Å; F158-F220 HydrophobicContact CE2-CD2 3.89Å; F158-F220 AromaticContact CE2-CE1 3.14Å; F158-F220 HydrophobicContact CE2-CE1 3.14Å; F158-F220 AromaticContact CE2-CE2 3.3Å; F158-F220 HydrophobicContact CE2-CE2 3.3Å; F158-F220 HydrophobicContact CE2-CG 4.1Å; F158-F220 AromaticContact CE2-CZ 2.92Å; F158-F220 HydrophobicContact CE2-CZ 2.92Å; F158-F220 HydrophobicContact CZ-CD1 4.19Å; F158-F220 AromaticContact CZ-CE1 3.59Å; F158-F220 HydrophobicContact CZ-CE1 3.59Å; F158-F220 HydrophobicContact CZ-CE2 4.47Å; F158-F220 AromaticContact CZ-CZ 3.79Å; F158-F220 HydrophobicContact CZ-CZ 3.79Å; P218-F220 PolarHBondContact O-N 3.27Å; F220-Y225 HydrophobicContact CD2-CD2 4.34Å; F220-Y225 HydrophobicContact CD2-CE2 4.09Å; F220-Y225 AromaticContact CE2-CD2 3.35Å; F220-Y225 HydrophobicContact CE2-CD2 3.35Å; F220-Y225 AromaticContact CE2-CE2 3.47Å; F220-Y225 HydrophobicContact CE2-CE2 3.47Å; F220-Y225 VanDerWaalsContact CE2-CE2 3.47Å; F220-Y225 HydrophobicContact CE2-CG 4.17Å; F220-Y225 AromaticContact CZ-CD2 3.78Å; F220-Y225 HydrophobicContact CZ-CD2 3.78Å; F220-Y225 HydrophobicContact CZ-CE2 4.34Å; F220-Y225 HydrophobicContact CZ-CG 4.41Å | ||
| 221 | K | 79.7 | Confident | 60.9 | Low | 131 Ų | 131 | 128.4 Ų | 128.4 | 57% | 0.57 | 68% | 0.675 | S | S | * | * | trans | -106.8 | 121 | 172.7 | -65.7 | -170.4 | 180 | -178 | 0 | 109.7 | V219 D223 D224 | V219-K221 PolarHBondContact O-N 2.67Å; K221-D223 PolarHBondContact O-N 2.74Å; K221-D224 PolarHBondContact O-N 3.1Å | ||
| 222 | T | 67.8 | Low | 60.9 | Low | 80 Ų | 80 | 133 Ų | 133 | 49% | 0.491 | 70% | 0.696 | S | S | . | * | G | 310 helix | trans | -58.7 | -31 | 178.3 | -47 | 0 | 0 | 0 | 0 | 112.2 | D224 Y225 F226 | T222-D224 PolarHBondContact O-N 2.84Å; T222-Y225 PolarHBondContact O-N 3.35Å; T222-F226 HydrophobicContact CG2-CD2 3.56Å; T222-F226 HydrophobicContact CG2-CE2 4.07Å; T222-F226 WeakPolarHBondContact O-CD2 3.42Å; T222-F226 PolarHBondContact O-N 3.33Å; T222-F226 VanDerWaalsContact O-N 3.09Å |
| 223 | D | 73.3 | Confident | 61.9 | Low | 111 Ų | 111 | 130.8 Ų | 130.8 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -65.4 | -23.1 | -179.6 | -59.1 | -47.7 | 0 | 0 | 0 | 113.7 | K221 Y225 | K221-D223 PolarHBondContact O-N 2.74Å; D223-Y225 VanDerWaalsContact C-N 3.27Å; D223-Y225 PolarHBondContact O-N 2.86Å |
| 224 | D | 74.9 | Confident | 62.9 | Low | 121 Ų | 121 | 130.4 Ų | 130.4 | 65% | 0.647 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -75.8 | -17.8 | -179.7 | -64.5 | -21.2 | 0 | 0 | 0 | 112.4 | K221 T222 | K221-D224 PolarHBondContact O-N 3.1Å; T222-D224 PolarHBondContact O-N 2.84Å |
| 225 | Y | 66.2 | Low | 63.9 | Low | 133 Ų | 133 | 127.4 Ų | 127.4 | 52% | 0.522 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.7 | -26.1 | -174.1 | -68.6 | -91.5 | 0 | 0 | 0 | 113.5 | I161 F220 T222 D223 | I161-Y225 HydrophobicContact CD1-CE1 4.37Å; F220-Y225 HydrophobicContact CD2-CD2 4.34Å; F220-Y225 HydrophobicContact CD2-CE2 4.09Å; F220-Y225 AromaticContact CE2-CD2 3.35Å; F220-Y225 HydrophobicContact CE2-CD2 3.35Å; F220-Y225 AromaticContact CE2-CE2 3.47Å; F220-Y225 HydrophobicContact CE2-CE2 3.47Å; F220-Y225 VanDerWaalsContact CE2-CE2 3.47Å; F220-Y225 HydrophobicContact CE2-CG 4.17Å; F220-Y225 AromaticContact CZ-CD2 3.78Å; F220-Y225 HydrophobicContact CZ-CD2 3.78Å; F220-Y225 HydrophobicContact CZ-CE2 4.34Å; F220-Y225 HydrophobicContact CZ-CG 4.41Å; T222-Y225 PolarHBondContact O-N 3.35Å; D223-Y225 VanDerWaalsContact C-N 3.27Å; D223-Y225 PolarHBondContact O-N 2.86Å |
| 226 | F | 73.1 | Confident | 64.6 | Low | 103 Ų | 103 | 124.2 Ų | 124.2 | 45% | 0.452 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -112.7 | 94.2 | 176.3 | -60.9 | -81.5 | 0 | 0 | 0 | 109.1 | T222 Q228 | T222-F226 HydrophobicContact CG2-CD2 3.56Å; T222-F226 HydrophobicContact CG2-CE2 4.07Å; T222-F226 WeakPolarHBondContact O-CD2 3.42Å; T222-F226 PolarHBondContact O-N 3.33Å; T222-F226 VanDerWaalsContact O-N 3.09Å; F226-Q228 PolarHBondContact O-N 2.98Å |
| 227 | T | 67.9 | Low | 65 | Low | 126 Ų | 126 | 122.3 Ų | 122.3 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | trans | -58 | 116.7 | 167.4 | 52.1 | 0 | 0 | 0 | 0 | 108.1 | H229 | T227-H229 PolarHBondContact O-N 3.36Š| ||
| 228 | Q | 59.1 | Low | 65.3 | Low | 163 Ų | 163 | 126.2 Ų | 126.2 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | trans | -53.2 | 115.1 | 170 | -66.3 | -171 | -3.4 | 0 | 0 | 107.4 | F226 P230 | F226-Q228 PolarHBondContact O-N 2.98Å; Q228-P230 WeakPolarHBondContact O-CD 3.27Å; Q228-P230 VanDerWaalsContact O-N 3.11Å | ||
| 229 | H | 55.2 | Low | 65.1 | Low | 177 Ų | 177 | 126.4 Ų | 126.4 | 82% | 0.819 | 67% | 0.666 | S | S | * | * | trans | -58.3 | 117.8 | 172.3 | -119.4 | 25.4 | 0 | 0 | 0 | 106.7 | T227 G231 | T227-H229 PolarHBondContact O-N 3.36Å; H229-G231 VanDerWaalsContact C-N 3.34Å; H229-G231 PolarHBondContact O-N 3.4Å | ||
| 230 | P | 57.9 | Low | 64.4 | Low | 121 Ų | 121 | 126.5 Ų | 126.5 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | trans | -67 | 105.2 | 168.1 | 27.8 | -28.5 | 0 | 0 | 0 | 105.3 | Q228 H232 | Q228-P230 WeakPolarHBondContact O-CD 3.27Å; Q228-P230 VanDerWaalsContact O-N 3.11Å; P230-H232 PolarHBondContact O-N 3.47Å; P230-H232 VanDerWaalsContact O-N 3.09Å | ||
| 231 | G | 54.8 | Low | 64.1 | Low | 72 Ų | 72 | 132.9 Ų | 132.9 | 74% | 0.742 | 70% | 0.696 | S | S | * | * | trans | -62.6 | 110.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | H229 | H229-G231 VanDerWaalsContact C-N 3.34Å; H229-G231 PolarHBondContact O-N 3.4Å | ||
| 232 | H | 38.8 | Very low | 62.6 | Low | 257 Ų | 257 | 133.1 Ų | 133.1 | 100% | 1.19 | 71% | 0.707 | S | S | * | * | trans | -160.5 | 0 | 132.7 | -127.7 | -57 | 0 | 0 | 0 | 111.9 | P230 | P230-H232 PolarHBondContact O-N 3.47Å; P230-H232 VanDerWaalsContact O-N 3.09Å |
Retrieved 232 of 232 residues in 169.5 ms
(Link to these results)