| 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 | 39.5 | Very low | 49.6 | Very low | 248 Ų | 248 | 150.1 Ų | 150.1 | 100% | 1.222 | 83% | 0.829 | S | S | * | * | 0 | 147.1 | 0 | -68.4 | 171.1 | 71.5 | 0 | 0 | 108.6 | |||||
| 2 | S | 49.8 | Very low | 50.7 | Low | 118 Ų | 118 | 148.8 Ų | 148.8 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -88.9 | 135.6 | -171.5 | -43.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | K | 46.6 | Very low | 51.6 | Low | 215 Ų | 215 | 141.2 Ų | 141.2 | 94% | 0.935 | 78% | 0.781 | S | S | * | * | trans | -179.8 | 137.7 | 157.5 | -95 | 147.5 | -174.8 | -175.3 | 0 | 106.3 | ||||
| 4 | G | 45.1 | Very low | 52 | Low | 68 Ų | 68 | 141.6 Ų | 141.6 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | 149.9 | 77.5 | -0.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L6 | G4-L6 PolarHBondContact O-N 2.73Š| ||
| 5 | I | 51.1 | Low | 52.8 | Low | 165 Ų | 165 | 137.5 Ų | 137.5 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | trans | -73.6 | 113.7 | -174.1 | -59.3 | 174 | 0 | 0 | 0 | 109.7 | Q7 | I5-Q7 PolarHBondContact O-N 2.62Å; I5-Q7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | L | 50.3 | Low | 52.7 | Low | 159 Ų | 159 | 137.6 Ų | 137.6 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -78.5 | 88.9 | 172.5 | -94.5 | 161.7 | 0 | 0 | 0 | 110 | G4 V8 | G4-L6 PolarHBondContact O-N 2.73Å; L6-V8 PolarHBondContact O-N 2.74Å | ||
| 7 | Q | 49.1 | Very low | 52.9 | Low | 158 Ų | 158 | 134.2 Ų | 134.2 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | trans | -76.9 | 87.8 | 175.3 | -171.3 | 170 | 12.9 | 0 | 0 | 110.6 | I5 | I5-Q7 PolarHBondContact O-N 2.62Å; I5-Q7 VanDerWaalsContact O-N 3.12Å | ||
| 8 | V | 50.9 | Low | 53.3 | Low | 128 Ų | 128 | 129.1 Ų | 129.1 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 123.9 | 168.5 | -77.5 | 0 | 0 | 0 | 0 | 110.1 | L6 | L6-V8 PolarHBondContact O-N 2.74Š|
| 9 | H | 49.1 | Very low | 53.4 | Low | 162 Ų | 162 | 134.6 Ų | 134.6 | 75% | 0.75 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 140.6 | 175.6 | -78.3 | -100.8 | 0 | 0 | 0 | 110.8 | ||
| 10 | P | 57.4 | Low | 53.2 | Low | 104 Ų | 104 | 135.7 Ų | 135.7 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 151.2 | 173.1 | 29.9 | -34.9 | 0 | 0 | 0 | 111.1 | I12 | P10-I12 PolarHBondContact O-N 2.68Š|
| 11 | P | 57 | Low | 53.1 | Low | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 133 | 177 | 27.7 | -34.2 | 0 | 0 | 0 | 110.9 | ||
| 12 | I | 63.2 | Low | 53.1 | Low | 135 Ų | 135 | 122.8 Ų | 122.8 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 141.5 | 177.3 | -54.6 | 178.1 | 0 | 0 | 0 | 108.7 | P10 | P10-I12 PolarHBondContact O-N 2.68Š|
| 13 | C | 62.2 | Low | 53 | Low | 50 Ų | 50 | 122.5 Ų | 122.5 | 34% | 0.338 | 70% | 0.697 | S | S | . | * | trans | -111 | 123 | -178.5 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | C15 S21 | C13-C15 VanDerWaalsContact SG-SG 3.6Å; C13-S21 WeakPolarHBondContact O-CB 3.37Å; C13-S21 PolarHBondContact O-OG 2.77Å | ||
| 14 | D | 56.3 | Low | 53 | Low | 147 Ų | 147 | 118.3 Ų | 118.3 | 79% | 0.786 | 69% | 0.689 | S | S | * | * | trans | -100.8 | 24.8 | -176.2 | -68 | -43.7 | 0 | 0 | 0 | 113.4 | ||||
| 15 | C | 64.5 | Low | 52.7 | Low | 79 Ų | 79 | 122.5 Ų | 122.5 | 53% | 0.534 | 70% | 0.696 | S | S | . | * | trans | -73 | 132.3 | 173.9 | -64 | 0 | 0 | 0 | 0 | 111.5 | C13 G17 C18 | C13-C15 VanDerWaalsContact SG-SG 3.6Å; C15-G17 PolarHBondContact O-N 2.73Å; C15-G17 VanDerWaalsContact O-N 3.13Å; C15-C18 HydrophobicContact CB-CB 4.42Å; C15-C18 WeakPolarHBondContact O-CB 3.46Å; C15-C18 PolarHBondContact O-N 3.16Å | ||
| 16 | P | 50.8 | Low | 52.6 | Low | 139 Ų | 139 | 125.8 Ų | 125.8 | 90% | 0.903 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 118.1 | 176.8 | 25.4 | -33.4 | 0 | 0 | 0 | 110.4 | ||
| 17 | G | 56.8 | Low | 52.4 | Low | 81 Ų | 81 | 121.9 Ų | 121.9 | 84% | 0.835 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.9 | -8.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | C15 R19 | C15-G17 PolarHBondContact O-N 2.73Å; C15-G17 VanDerWaalsContact O-N 3.13Å; G17-R19 PolarHBondContact O-N 3.17Å |
| 18 | C | 59 | Low | 52.1 | Low | 42 Ų | 42 | 125.6 Ų | 125.6 | 28% | 0.284 | 70% | 0.703 | S | S | . | * | trans | -70.9 | 119.1 | 175.1 | -163.5 | 0 | 0 | 0 | 0 | 111.3 | C15 I20 S21 | C15-C18 HydrophobicContact CB-CB 4.42Å; C15-C18 WeakPolarHBondContact O-CB 3.46Å; C15-C18 PolarHBondContact O-N 3.16Å; C18-I20 VanDerWaalsContact C-N 3.34Å; C18-I20 PolarHBondContact O-N 3.14Å; C18-S21 PolarHBondContact O-OG 3.13Å | ||
| 19 | R | 55.3 | Low | 51.8 | Low | 234 Ų | 234 | 128 Ų | 128 | 88% | 0.883 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -80.6 | -6.9 | -178.8 | -93 | -172.1 | 172.5 | -173.9 | -1.3 | 115.4 | G17 S21 | G17-R19 PolarHBondContact O-N 3.17Å; R19-S21 VanDerWaalsContact C-N 3.3Å |
| 20 | I | 51 | Low | 51.6 | Low | 156 Ų | 156 | 124.7 Ų | 124.7 | 80% | 0.8 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -75.9 | -21.8 | -178.8 | -58.4 | 178.9 | 0 | 0 | 0 | 111.4 | C18 | C18-I20 VanDerWaalsContact C-N 3.34Å; C18-I20 PolarHBondContact O-N 3.14Å |
| 21 | S | 49.6 | Very low | 50.6 | Low | 40 Ų | 40 | 127 Ų | 127 | 28% | 0.28 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -105.6 | 33.6 | -179.6 | 39.8 | 0 | 0 | 0 | 0 | 113.5 | C13 C18 R19 | C13-S21 WeakPolarHBondContact O-CB 3.37Å; C13-S21 PolarHBondContact O-OG 2.77Å; C18-S21 PolarHBondContact O-OG 3.13Å; R19-S21 VanDerWaalsContact C-N 3.3Å |
| 22 | S | 39.3 | Very low | 49.8 | Very low | 73 Ų | 73 | 130 Ų | 130 | 51% | 0.51 | 72% | 0.718 | S | S | . | * | trans | -59.3 | 133.9 | 174.2 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | V24 | S22-V24 PolarHBondContact O-N 3.47Š| ||
| 23 | P | 48 | Very low | 49 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 72% | 0.721 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -61.1 | -15.1 | -172.3 | -27.5 | 35.8 | 0 | 0 | 0 | 116.7 | N25 R26 | P23-N25 PolarHBondContact O-N 3.06Å; P23-R26 PolarHBondContact O-N 3.35Å |
| 24 | V | 47.3 | Very low | 47.8 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 42.6 | -171 | -158.3 | 0 | 0 | 0 | 0 | 113.2 | S22 | S22-V24 PolarHBondContact O-N 3.47Š|
| 25 | N | 38.3 | Very low | 46.9 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.3 | 2 | 165.6 | -93.4 | -58.5 | 0 | 0 | 0 | 113.6 | P23 G27 | P23-N25 PolarHBondContact O-N 3.06Å; N25-G27 PolarHBondContact O-N 3.43Å |
| 26 | R | 50 | Low | 45.3 | Very low | 234 Ų | 234 | 139 Ų | 139 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -4.4 | -178.5 | -146.7 | 170.8 | -170.4 | 141.5 | 2.4 | 114.2 | P23 | P23-R26 PolarHBondContact O-N 3.35Š|
| 27 | G | 44.5 | Very low | 44.5 | Very low | 78 Ų | 78 | 140.3 Ų | 140.3 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 16.9 | -165.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | N25 | N25-G27 PolarHBondContact O-N 3.43Š|
| 28 | R | 44.5 | Very low | 43.8 | Very low | 236 Ų | 236 | 142.2 Ų | 142.2 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -139.3 | 19.1 | -179.8 | -132.3 | -178.5 | -163.8 | -79.2 | 0.3 | 117.5 | ||
| 29 | L | 44.1 | Very low | 42.9 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -138.5 | 42.1 | 171.7 | -159.7 | 72.7 | 0 | 0 | 0 | 112.2 | ||
| 30 | A | 44.8 | Very low | 42.5 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -135.8 | 36.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 31 | D | 36 | Very low | 41.8 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -138.6 | 83.5 | 176.7 | -159 | -13.1 | 0 | 0 | 0 | 111.6 | ||||
| 32 | K | 39.9 | Very low | 41 | Very low | 191 Ų | 191 | 147.4 Ų | 147.4 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 168.5 | 71.5 | 156.9 | -93.3 | 159.5 | -166.2 | -62.7 | 0 | 112 | ||
| 33 | R | 47 | Very low | 40.6 | Very low | 255 Ų | 255 | 151.4 Ų | 151.4 | 96% | 0.962 | 82% | 0.82 | S | S | * | * | trans | -168.7 | 125.9 | 131.3 | -102.1 | 152.2 | -169.1 | 173.7 | 4 | 110.6 | ||||
| 34 | T | 37.5 | Very low | 39.7 | Very low | 131 Ų | 131 | 154.5 Ų | 154.5 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -87.4 | 172.3 | -165.8 | -39.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 35 | V | 36.9 | Very low | 39 | Very low | 138 Ų | 138 | 156.3 Ų | 156.3 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | trans | 82.5 | 133.2 | 165.1 | -167.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 36 | A | 30.7 | Very low | 38.6 | Very low | 75 Ų | 75 | 154.2 Ų | 154.2 | 62% | 0.62 | 81% | 0.805 | S | S | * | * | cis | -169.7 | 136.4 | -34.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 37 | L | 34.1 | Very low | 37.8 | Very low | 166 Ų | 166 | 153.4 Ų | 153.4 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | 42.7 | 157.9 | 136.1 | -58.3 | -179.8 | 0 | 0 | 0 | 122.8 | ||||
| 38 | P | 41.8 | Very low | 37.5 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | cis | -131 | -177.1 | -26.2 | 36.6 | -19.1 | 0 | 0 | 0 | 113 | ||||
| 39 | A | 40.5 | Very low | 37.5 | Very low | 92 Ų | 92 | 150.3 Ų | 150.3 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -115.6 | 140.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 40 | A | 47.3 | Very low | 37 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | 41.2 | 113.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 41 | R | 36.4 | Very low | 36.3 | Very low | 248 Ų | 248 | 150.5 Ų | 150.5 | 94% | 0.936 | 78% | 0.782 | S | S | * | * | trans | -155.5 | 152.1 | 153 | -57 | -175.9 | -173.9 | -178.7 | 0.7 | 109.4 | ||||
| 42 | N | 32.4 | Very low | 36.1 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | cis | -167.1 | 164.6 | -39.8 | -148 | -43.1 | 0 | 0 | 0 | 108.8 | ||||
| 43 | L | 29.8 | Very low | 35.8 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 67.6 | 156.3 | 171.5 | -60.9 | 151.7 | 0 | 0 | 0 | 115.4 | ||||
| 44 | K | 29.4 | Very low | 35.2 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | cis | -169.9 | 141.9 | 41.5 | -176.8 | 174.3 | -177 | 176.5 | 0 | 113.7 | ||||
| 45 | K | 33.5 | Very low | 35.4 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | 64.8 | 154.5 | 159.8 | -84.1 | -171.6 | 175.2 | -116.4 | 0 | 118.7 | ||||
| 46 | E | 30.6 | Very low | 35.4 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 53% | 0.528 | 78% | 0.775 | S | S | . | * | cis | -165.7 | 168.2 | -26.1 | -141.2 | -174.7 | 116.2 | 0 | 0 | 110.2 | ||||
| 47 | R | 32.9 | Very low | 35.9 | Very low | 216 Ų | 216 | 140.1 Ų | 140.1 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | trans | 64.8 | 103 | 154.3 | -72.2 | 172.6 | -178.8 | -128.1 | -7.3 | 121.6 | ||||
| 48 | T | 37.2 | Very low | 36.2 | Very low | 129 Ų | 129 | 138 Ų | 138 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | -66.4 | 170.7 | 125.7 | 42.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 49 | P | 45 | Very low | 36.3 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | cis | -131.7 | -166.5 | 26.7 | 26.8 | -0.8 | 0 | 0 | 0 | 113.8 | ||||
| 50 | S | 32.7 | Very low | 36.1 | Very low | 79 Ų | 79 | 139 Ų | 139 | 55% | 0.552 | 79% | 0.786 | S | S | * | * | cis | -172.8 | 162.8 | -37.2 | -80.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 51 | F | 31.1 | Very low | 35.8 | Very low | 194 Ų | 194 | 140.4 Ų | 140.4 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | 68.2 | 159 | 167 | -47.2 | -60.4 | 0 | 0 | 0 | 116.1 | ||||
| 52 | S | 30.5 | Very low | 35.8 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | cis | -162.6 | 169.1 | -26.1 | -96.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 53 | A | 34.3 | Very low | 36.9 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -27.6 | 153.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 54 | S | 34.3 | Very low | 37.3 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | -167.3 | 155 | 129.3 | -167 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 55 | D | 41.3 | Very low | 37.5 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -82.8 | 173.8 | -178.8 | -46.1 | -94.4 | 0 | 0 | 0 | 114 | ||||
| 56 | G | 38.5 | Very low | 37.4 | Very low | 81 Ų | 81 | 123.5 Ų | 123.5 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -176.9 | 110.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 57 | D | 39.5 | Very low | 37.4 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -70.9 | 158.8 | 174.4 | -95.7 | -62.6 | 0 | 0 | 0 | 115 | ||||
| 58 | S | 42.3 | Very low | 37.6 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -178.4 | 136.9 | 131.1 | -79.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 59 | D | 42.8 | Very low | 38.1 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -75 | 170.5 | 168.4 | -71.8 | -68.7 | 0 | 0 | 0 | 114 | ||||
| 60 | G | 37.5 | Very low | 37.3 | Very low | 66 Ų | 66 | 127.6 Ų | 127.6 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | 160.5 | 93.1 | 146.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 61 | S | 40 | Very low | 37.6 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | 72 | 137.4 | 139.2 | -56.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 62 | G | 36.9 | Very low | 37.7 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | trans | -89.4 | -152.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 63 | P | 54.9 | Low | 37.6 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | cis | -136.5 | -177.3 | 36.3 | 40.6 | -21.4 | 0 | 0 | 0 | 115.2 | ||||
| 64 | T | 37.4 | Very low | 37.4 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | -173.9 | 161.9 | 97.3 | 28.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 65 | C | 33.6 | Very low | 37.1 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 89% | 0.885 | 82% | 0.819 | S | S | * | * | trans | -87.3 | 165 | 177.8 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 66 | G | 31.6 | Very low | 37 | Very low | 73 Ų | 73 | 133.5 Ų | 133.5 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | 161.1 | -167.9 | -1.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 67 | R | 32.3 | Very low | 37.4 | Very low | 252 Ų | 252 | 135.7 Ų | 135.7 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | trans | 125.3 | 152.2 | 166.4 | -157.2 | 171.5 | -152.4 | -97.3 | 5.6 | 114.5 | ||||
| 68 | R | 36.1 | Very low | 37.2 | Very low | 224 Ų | 224 | 136.7 Ų | 136.7 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -123.3 | 178 | -169 | -88.3 | -173 | -179.3 | -142.7 | 4.2 | 110.4 | ||||
| 69 | P | 47 | Very low | 36.8 | Very low | 116 Ų | 116 | 139 Ų | 139 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | cis | -138.9 | 160.6 | -34 | 35.8 | -19 | 0 | 0 | 0 | 115.3 | ||||
| 70 | G | 29.8 | Very low | 36.5 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | 73.1 | 139.7 | 136.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 71 | L | 39 | Very low | 36.7 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 98% | 0.984 | 81% | 0.806 | S | S | * | * | trans | -177.3 | 174.1 | 138.5 | -99.6 | 171.3 | 0 | 0 | 0 | 109.5 | ||||
| 72 | K | 32.4 | Very low | 36.6 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -141.7 | 115 | -170.6 | 170.9 | -163.3 | 163.1 | -169.8 | 0 | 111.1 | ||||
| 73 | Q | 29.3 | Very low | 36.5 | Very low | 159 Ų | 159 | 153.8 Ų | 153.8 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -176 | 118.6 | 171 | -126.8 | 81.2 | 93.7 | 0 | 0 | 102.9 | ||||
| 74 | E | 28.5 | Very low | 35.6 | Very low | 136 Ų | 136 | 157 Ų | 157 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | cis | 88.2 | 138.6 | 37.8 | 99.1 | -148.6 | 31.8 | 0 | 0 | 115.1 | ||||
| 75 | D | 29.2 | Very low | 35.3 | Very low | 172 Ų | 172 | 156.3 Ų | 156.3 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | trans | 60.2 | 159.8 | -179.9 | -105.2 | -69.7 | 0 | 0 | 0 | 121.1 | ||||
| 76 | G | 38.6 | Very low | 35.7 | Very low | 53 Ų | 53 | 155.5 Ų | 155.5 | 55% | 0.546 | 79% | 0.79 | S | S | . | * | trans | -135.6 | -178.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 77 | P | 46 | Very low | 36 | Very low | 127 Ų | 127 | 158.7 Ų | 158.7 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -95.5 | 124.2 | -178.4 | 34.7 | -30.4 | 0 | 0 | 0 | 112.6 | ||||
| 78 | H | 35.3 | Very low | 36.1 | Very low | 180 Ų | 180 | 150.1 Ų | 150.1 | 83% | 0.833 | 78% | 0.78 | S | S | * | * | 67.9 | 103.9 | 74.3 | -95.3 | 70.5 | 0 | 0 | 0 | 116.6 | |||||
| 79 | I | 34.9 | Very low | 36 | Very low | 170 Ų | 170 | 147 Ų | 147 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -139.3 | 138.7 | 132.5 | -63.2 | -168.2 | 0 | 0 | 0 | 110.5 | ||||
| 80 | R | 36.6 | Very low | 35.8 | Very low | 220 Ų | 220 | 148.8 Ų | 148.8 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | -42.3 | 141.4 | 177.1 | -58.9 | 162.4 | 179.3 | -177 | -2.6 | 114.5 | ||||
| 81 | I | 41 | Very low | 36.6 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | 58.5 | 115.9 | 63.8 | -56.9 | 174.4 | 0 | 0 | 0 | 110.4 | |||||
| 82 | M | 38.2 | Very low | 36.8 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | -147.6 | 127.6 | 74.4 | -75.3 | 176.1 | 65.2 | 0 | 0 | 116.8 | |||||
| 83 | K | 34.8 | Very low | 37.5 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | trans | 36.7 | 98.9 | 133.7 | -163.6 | 174.5 | 179.1 | -177 | 0 | 121.3 | ||||
| 84 | R | 35.8 | Very low | 38.4 | Very low | 190 Ų | 190 | 147.5 Ų | 147.5 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | -16.6 | 139.1 | 141.1 | -177.3 | -170.4 | -63.8 | -164.7 | 1.1 | 117.6 | ||||
| 85 | S | 30.7 | Very low | 39 | Very low | 122 Ų | 122 | 147 Ų | 147 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -115.4 | 166.4 | 141.3 | -163.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 86 | Q | 43.6 | Very low | 39.7 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 53% | 0.528 | 79% | 0.789 | S | S | . | * | trans | -139 | 154.5 | -163.6 | -136.5 | 179.8 | -90 | 0 | 0 | 112.9 | ||||
| 87 | D | 37.4 | Very low | 39.8 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | trans | 64 | 130.3 | 160.5 | -49.7 | -42.8 | 0 | 0 | 0 | 119.4 | ||||
| 88 | G | 34.4 | Very low | 39.8 | Very low | 72 Ų | 72 | 152 Ų | 152 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 177.5 | 64.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 89 | N | 32.7 | Very low | 40.3 | Very low | 157 Ų | 157 | 155.3 Ų | 155.3 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | 18.1 | 113.6 | 161.9 | -58.9 | -68.5 | 0 | 0 | 0 | 119.7 | P91 | N89-P91 VanDerWaalsContact O-CD 3.3Å; N89-P91 WeakPolarHBondContact O-CD 3.37Å | ||
| 90 | L | 43.9 | Very low | 40.5 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -77.8 | 115.3 | 163.6 | 174.3 | 68.8 | 0 | 0 | 0 | 110.8 | ||||
| 91 | P | 46.4 | Very low | 40.7 | Very low | 112 Ų | 112 | 154 Ų | 154 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | -151.7 | 77.8 | 133.4 | 36.7 | -17.4 | 0 | 0 | 0 | 113.9 | N89 | N89-P91 VanDerWaalsContact O-CD 3.3Å; N89-P91 WeakPolarHBondContact O-CD 3.37Å | ||
| 92 | T | 43.7 | Very low | 40.4 | Very low | 125 Ų | 125 | 154.9 Ų | 154.9 | 77% | 0.767 | 82% | 0.815 | S | S | * | * | trans | -137 | 20.2 | 178.4 | -24 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 93 | L | 47.4 | Very low | 40.3 | Very low | 163 Ų | 163 | 155.1 Ų | 155.1 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -126.3 | 31.9 | -179.9 | -71.3 | 177.5 | 0 | 0 | 0 | 114.6 | ||||
| 94 | I | 47.4 | Very low | 40.4 | Very low | 166 Ų | 166 | 151.4 Ų | 151.4 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -127.4 | 81.7 | 163.5 | -51 | -178.3 | 0 | 0 | 0 | 108.6 | ||||
| 95 | S | 41.8 | Very low | 40.3 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 88% | 0.881 | 82% | 0.817 | S | S | * | * | trans | -158.3 | 47.3 | 170.7 | -76.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 96 | S | 42.3 | Very low | 40.6 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -146.1 | 22.5 | 171.4 | -150.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 97 | V | 41.1 | Very low | 40.2 | Very low | 139 Ų | 139 | 153 Ų | 153 | 84% | 0.842 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -136.5 | 54.8 | 175.2 | -164.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 98 | H | 46.5 | Very low | 39.9 | Very low | 197 Ų | 197 | 155 Ų | 155 | 91% | 0.912 | 83% | 0.831 | S | S | * | * | trans | -148.3 | 34.1 | 177.1 | -115.9 | -76.6 | 0 | 0 | 0 | 115 | ||||
| 99 | R | 45.8 | Very low | 39.9 | Very low | 251 Ų | 251 | 159.5 Ų | 159.5 | 95% | 0.947 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -144.2 | 39.6 | 179.2 | -145.8 | 177.8 | -169.5 | 168.5 | 4.6 | 116.9 | ||
| 100 | S | 38.4 | Very low | 39.9 | Very low | 118 Ų | 118 | 157 Ų | 157 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -157 | 69.2 | 161.6 | -160.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 101 | R | 41 | Very low | 39.1 | Very low | 243 Ų | 243 | 159.2 Ų | 159.2 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | -149.8 | 83.4 | 157.8 | -74.3 | -158.9 | 179.9 | -162.4 | -0.2 | 109.9 | ||||
| 102 | H | 35.1 | Very low | 38.3 | Very low | 174 Ų | 174 | 160 Ų | 160 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | trans | -154 | 57.1 | 169.1 | -139.7 | -72.7 | 0 | 0 | 0 | 113.2 | ||||
| 103 | L | 36 | Very low | 37.6 | Very low | 178 Ų | 178 | 160.8 Ų | 160.8 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | trans | -122.1 | 112.4 | 157.7 | -73.4 | 177.9 | 0 | 0 | 0 | 107.7 | ||||
| 104 | V | 36.9 | Very low | 36.7 | Very low | 118 Ų | 118 | 162 Ų | 162 | 72% | 0.715 | 83% | 0.825 | S | S | * | * | trans | -88.1 | 134.3 | 175 | 171.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 105 | M | 33 | Very low | 35.9 | Very low | 168 Ų | 168 | 161 Ų | 161 | 83% | 0.828 | 82% | 0.817 | S | S | * | * | trans | -138.1 | 153.2 | 157.7 | -74.5 | -56.5 | -74 | 0 | 0 | 109.3 | ||||
| 106 | P | 38.7 | Very low | 35.5 | Very low | 113 Ų | 113 | 166.2 Ų | 166.2 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -83.9 | 153.7 | -149.8 | -16.7 | 33.3 | 0 | 0 | 0 | 116.5 | ||||
| 107 | E | 34.6 | Very low | 34.8 | Very low | 178 Ų | 178 | 164.2 Ų | 164.2 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -76 | 122.4 | 170.4 | -58.2 | 172.4 | 138.3 | 0 | 0 | 110.5 | Q109 | E107-Q109 PolarHBondContact O-N 3.08Š| ||
| 108 | H | 31.9 | Very low | 34.2 | Very low | 184 Ų | 184 | 162.3 Ų | 162.3 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -91.4 | 91.2 | 177.4 | -142.3 | -61.6 | 0 | 0 | 0 | 110.9 | S110 | H108-S110 PolarHBondContact O-N 3.22Š| ||
| 109 | Q | 33.4 | Very low | 33.6 | Very low | 166 Ų | 166 | 161 Ų | 161 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -69.6 | 127.6 | 169.8 | -66.9 | -174.8 | 4.2 | 0 | 0 | 110.6 | E107 | E107-Q109 PolarHBondContact O-N 3.08Š| ||
| 110 | S | 32.2 | Very low | 33 | Very low | 105 Ų | 105 | 155.9 Ų | 155.9 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -127.4 | 74 | 166.8 | 46.7 | 0 | 0 | 0 | 0 | 110 | H108 C112 | H108-S110 PolarHBondContact O-N 3.22Å; S110-C112 PolarHBondContact O-N 2.89Å | ||
| 111 | R | 28.6 | Very low | 32.7 | Very low | 201 Ų | 201 | 158 Ų | 158 | 76% | 0.758 | 80% | 0.795 | S | S | * | * | trans | -72.2 | 107.7 | 177.2 | 179.8 | -173.3 | 176.6 | -143.4 | 0.4 | 110.7 | E113 | R111-E113 IonicContact CZ-OE2 3.14Å; R111-E113 IonicContact NE-OE2 2.75Å; R111-E113 PolarHBondContact NE-OE2 3.12Å; R111-E113 IonicContact NH2-OE2 2.69Å; R111-E113 PolarHBondContact NH2-OE2 2.97Å | ||
| 112 | C | 29.4 | Very low | 32.1 | Very low | 128 Ų | 128 | 149.7 Ų | 149.7 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -119.4 | 82.8 | 167.9 | -72.4 | 0 | 0 | 0 | 0 | 110.4 | S110 | S110-C112 PolarHBondContact O-N 2.89Š| ||
| 113 | E | 27.7 | Very low | 32 | Very low | 141 Ų | 141 | 150 Ų | 150 | 66% | 0.659 | 79% | 0.791 | S | S | * | * | trans | -96.6 | 130.5 | 165.1 | -70.6 | 179.2 | 97.3 | 0 | 0 | 109.6 | R111 | R111-E113 IonicContact CZ-OE2 3.14Å; R111-E113 IonicContact NE-OE2 2.75Å; R111-E113 PolarHBondContact NE-OE2 3.12Å; R111-E113 IonicContact NH2-OE2 2.69Å; R111-E113 PolarHBondContact NH2-OE2 2.97Å | ||
| 114 | F | 28.3 | Very low | 31.7 | Very low | 190 Ų | 190 | 153 Ų | 153 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | -146.8 | 133.9 | 154.9 | -156.3 | -109.3 | 0 | 0 | 0 | 113.5 | ||||
| 115 | Q | 30.3 | Very low | 32.1 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | 18.5 | 111.5 | 169.9 | -110.3 | 60.1 | 3.4 | 0 | 0 | 120.9 | G117 | Q115-G117 PolarHBondContact O-N 3.47Š| ||
| 116 | R | 34.2 | Very low | 31.9 | Very low | 234 Ų | 234 | 149.7 Ų | 149.7 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | -52.4 | 126.1 | 149.4 | 173.1 | -170.6 | -67.7 | 161.4 | -2.8 | 110.9 | ||||
| 117 | G | 26.7 | Very low | 31.5 | Very low | 78 Ų | 78 | 148 Ų | 148 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -115.7 | 132.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q115 | Q115-G117 PolarHBondContact O-N 3.47Š| ||
| 118 | S | 29 | Very low | 31.6 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | -143.1 | 123.5 | -174.5 | -175.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 119 | L | 34 | Very low | 31.9 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -156 | 84.2 | 173.5 | -163.7 | 68.9 | 0 | 0 | 0 | 112.5 | ||||
| 120 | E | 34.4 | Very low | 32.1 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | 27.3 | 140 | 130.2 | -68 | -56.3 | 141.6 | 0 | 0 | 123.1 | ||||
| 121 | I | 31.2 | Very low | 32.1 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | 71.6 | 141.7 | 154.7 | -59.2 | 154 | 0 | 0 | 0 | 115.8 | ||||
| 122 | G | 28.4 | Very low | 32.7 | Very low | 68 Ų | 68 | 141.6 Ų | 141.6 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | cis | -163.5 | -148.4 | 9.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 123 | L | 33.9 | Very low | 33 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 94% | 0.942 | 79% | 0.788 | S | S | * | * | trans | -105.5 | 161.4 | -159.3 | -64 | 165 | 0 | 0 | 0 | 116.7 | ||||
| 124 | R | 28 | Very low | 33.3 | Very low | 242 Ų | 242 | 147 Ų | 147 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | trans | -11.3 | 170.1 | 154.2 | -98.6 | -170.6 | -160.8 | 163.7 | 5.4 | 120.4 | ||||
| 125 | P | 45.5 | Very low | 33.3 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | cis | -143.3 | 176.3 | -4.7 | 39.7 | -20.2 | 0 | 0 | 0 | 118.4 | ||||
| 126 | A | 29.8 | Very low | 33.2 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | 61.6 | 149.2 | 143.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 127 | G | 30.5 | Very low | 32.8 | Very low | 77 Ų | 77 | 140.3 Ų | 140.3 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 156.5 | 128.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 128 | D | 35.7 | Very low | 33.8 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -90.6 | 166.5 | -170.3 | -55 | -78 | 0 | 0 | 0 | 116.8 | ||||
| 129 | L | 38.3 | Very low | 33.8 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | 162.2 | 138.3 | 110.3 | -83.8 | 178.2 | 0 | 0 | 0 | 117 | |||||
| 130 | L | 38.9 | Very low | 33.4 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | 56.4 | 137.9 | 148.7 | -72.1 | 157.3 | 0 | 0 | 0 | 121.9 | ||||
| 131 | G | 31.3 | Very low | 32.9 | Very low | 58 Ų | 58 | 144.9 Ų | 144.9 | 60% | 0.598 | 79% | 0.792 | S | S | * | * | cis | 155.1 | 175 | -9.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 132 | K | 40.3 | Very low | 32.7 | Very low | 185 Ų | 185 | 141 Ų | 141 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | 84.7 | 126.2 | 173.2 | -47.8 | 154.3 | -168 | 174 | 0 | 114.6 | ||||
| 133 | R | 36.3 | Very low | 32.7 | Very low | 225 Ų | 225 | 144.9 Ų | 144.9 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | 69.1 | 137.2 | 53.6 | -67.4 | -161 | -63.7 | -117 | 5.7 | 113.5 | |||||
| 134 | L | 33.4 | Very low | 32.3 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | cis | -167.3 | 166.4 | -2 | -100.3 | 167.5 | 0 | 0 | 0 | 108.2 | ||||
| 135 | G | 28.5 | Very low | 32.2 | Very low | 59 Ų | 59 | 140 Ų | 140 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | cis | 131.1 | 86.5 | -15.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 136 | R | 27.9 | Very low | 31.4 | Very low | 261 Ų | 261 | 139.5 Ų | 139.5 | 99% | 0.985 | 77% | 0.774 | S | S | * | * | trans | -174.4 | 166.5 | 166.9 | -107.1 | 174.9 | -166 | -131.9 | 2.3 | 115.3 | ||||
| 137 | S | 26.7 | Very low | 31.5 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -107.2 | -168.2 | 173.2 | -155.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 138 | P | 47.4 | Very low | 31.5 | Very low | 98 Ų | 98 | 146.5 Ų | 146.5 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | cis | -154.3 | 177.7 | 7.7 | 48.6 | -28.1 | 0 | 0 | 0 | 121.2 | ||||
| 139 | R | 28.5 | Very low | 31.4 | Very low | 233 Ų | 233 | 150.4 Ų | 150.4 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | 62.5 | 175.7 | 159 | -47.1 | -152.3 | -165.7 | -113.9 | 4.2 | 116.9 | ||||
| 140 | I | 26.6 | Very low | 31 | Very low | 149 Ų | 149 | 147 Ų | 147 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | cis | -145.8 | 161.6 | 9 | -39.4 | 158.8 | 0 | 0 | 0 | 110.7 | ||||
| 141 | S | 24.1 | Very low | 30.6 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 69.2 | 159.4 | 154.1 | -95.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 142 | S | 26.5 | Very low | 30.5 | Very low | 82 Ų | 82 | 152.6 Ų | 152.6 | 57% | 0.573 | 77% | 0.768 | S | S | * | * | cis | -169 | 175.1 | -34.4 | 45.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 143 | D | 27.8 | Very low | 30.1 | Very low | 150 Ų | 150 | 153.2 Ų | 153.2 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | trans | 80.5 | 150.8 | 156.1 | -50.8 | -51.6 | 0 | 0 | 0 | 120.1 | ||||
| 144 | C | 26.5 | Very low | 29.8 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -107.2 | 166.3 | -173.3 | -50.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 145 | F | 25.6 | Very low | 30.3 | Very low | 206 Ų | 206 | 145.7 Ų | 145.7 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | -172.4 | 171.6 | 105.8 | -113.2 | -85.3 | 0 | 0 | 0 | 112 | |||||
| 146 | S | 28.3 | Very low | 30.2 | Very low | 96 Ų | 96 | 151.8 Ų | 151.8 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | trans | -96.3 | 172.9 | -168.6 | -53.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 147 | E | 31.6 | Very low | 30.4 | Very low | 157 Ų | 157 | 143.3 Ų | 143.3 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | 74.6 | 157.7 | 162.1 | -64.9 | -178.2 | 66.2 | 0 | 0 | 116.4 | ||||
| 148 | K | 31.6 | Very low | 30.5 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | cis | -147.7 | 164.3 | 13.3 | -143.6 | 165.1 | -168.6 | 102.4 | 0 | 112 | ||||
| 149 | R | 33.3 | Very low | 29.5 | Very low | 236 Ų | 236 | 146.2 Ų | 146.2 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | trans | -63.5 | 159.4 | 161.2 | -60.5 | 177.3 | 167.7 | -160.1 | -2.4 | 109.2 | ||||
| 150 | A | 30.3 | Very low | 29.5 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | 172.2 | 166.9 | 55.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 151 | R | 29.9 | Very low | 29.7 | Very low | 240 Ų | 240 | 142.8 Ų | 142.8 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | 62.9 | 159.2 | 148.8 | -78.4 | -176 | 172.8 | 160.5 | -3.9 | 118.3 | ||||
| 152 | S | 29.9 | Very low | 30.1 | Very low | 88 Ų | 88 | 145.1 Ų | 145.1 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | cis | -167.8 | 142.9 | -19.9 | 44.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 153 | E | 30.6 | Very low | 30.5 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | 63.5 | 170.9 | 153.4 | -79.9 | 170.8 | 94.4 | 0 | 0 | 120.7 | ||||
| 154 | S | 31.2 | Very low | 30.9 | Very low | 103 Ų | 103 | 149.3 Ų | 149.3 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -98.6 | 165.7 | -162.7 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 155 | P | 42.8 | Very low | 31.1 | Very low | 123 Ų | 123 | 153 Ų | 153 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | -139.1 | 164.3 | 110.8 | 33.5 | -18.9 | 0 | 0 | 0 | 116.9 | |||||
| 156 | Q | 27.4 | Very low | 31.9 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | -56.3 | 162.6 | 166.2 | -74.2 | 162.1 | -33.2 | 0 | 0 | 113.6 | ||||
| 157 | A | 30.9 | Very low | 32.1 | Very low | 83 Ų | 83 | 147.4 Ų | 147.4 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | cis | -168.1 | -144.7 | -14.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 158 | E | 28.8 | Very low | 32.9 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | 80.6 | 148.6 | 167 | -116.1 | 71.3 | 161.3 | 0 | 0 | 121.7 | ||||
| 159 | A | 27 | Very low | 34 | Very low | 85 Ų | 85 | 142.9 Ų | 142.9 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | 79.8 | 88.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 160 | L | 29.6 | Very low | 35.3 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | 82.2 | 115.9 | 120.6 | -67.2 | 177.5 | 0 | 0 | 0 | 123.1 | |||||
| 161 | L | 30.2 | Very low | 37 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | trans | 85.5 | 106.4 | 138.9 | -61.3 | 172.8 | 0 | 0 | 0 | 121.1 | ||||
| 162 | L | 32.3 | Very low | 38.5 | Very low | 154 Ų | 154 | 126.5 Ų | 126.5 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | trans | -69.6 | 158.7 | 153.6 | -64.5 | 170.3 | 0 | 0 | 0 | 111.7 | ||||
| 163 | P | 34.3 | Very low | 40.3 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | -86.6 | 139.3 | 128.5 | -25.4 | 37 | 0 | 0 | 0 | 112 | |||||
| 164 | R | 36.8 | Very low | 42.1 | Very low | 185 Ų | 185 | 121.9 Ų | 121.9 | 70% | 0.698 | 70% | 0.699 | S | S | * | * | trans | -115 | 134.7 | -174 | 153.9 | -176.8 | 166.9 | 171 | -3.6 | 109.2 | ||||
| 165 | E | 31 | Very low | 44.1 | Very low | 189 Ų | 189 | 123 Ų | 123 | 88% | 0.883 | 69% | 0.692 | S | S | * | * | trans | -132.5 | 145.5 | 148.2 | -87.6 | -53.4 | 156.5 | 0 | 0 | 110.7 | ||||
| 166 | L | 41.2 | Very low | 45.4 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 63% | 0.634 | 68% | 0.684 | S | S | * | * | trans | -134.8 | 92.3 | -160.6 | -172.1 | 75.5 | 0 | 0 | 0 | 112.2 | ||||
| 167 | G | 34.2 | Very low | 47.7 | Very low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | trans | -77.2 | 141.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S169 | G167-S169 PolarHBondContact O-N 3.49Š| ||
| 168 | P | 47.8 | Very low | 49.7 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 73% | 0.734 | 67% | 0.668 | S | S | * | * | trans | -71.5 | 126.3 | -171.3 | 27.4 | -34.4 | 0 | 0 | 0 | 112.9 | M170 | P168-M170 PolarHBondContact O-N 2.67Š| ||
| 169 | S | 53.8 | Low | 52 | Low | 125 Ų | 125 | 122.6 Ų | 122.6 | 87% | 0.874 | 65% | 0.648 | S | S | * | * | trans | -66.6 | 102.6 | 166 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | G167 | G167-S169 PolarHBondContact O-N 3.49Š| ||
| 170 | M | 61 | Low | 53.9 | Low | 74 Ų | 74 | 121.7 Ų | 121.7 | 37% | 0.365 | 63% | 0.634 | S | S | . | * | trans | -59.9 | 146.1 | 171.2 | -65.6 | -64.5 | -42.6 | 0 | 0 | 110.6 | P168 D174 R178 | P168-M170 PolarHBondContact O-N 2.67Å; M170-D174 HydrophobicContact CE-CB 3.51Å; M170-D174 WeakPolarHBondContact CE-OD2 3.35Å; M170-R178 PolarHBondContact SD-NH1 3.33Å | ||
| 171 | A | 66.2 | Low | 55.7 | Low | 41 Ų | 41 | 117.3 Ų | 117.3 | 34% | 0.339 | 62% | 0.616 | S | S | . | * | trans | -64.9 | 145.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | E173 D174 H175 | A171-E173 PolarHBondContact O-N 3.12Å; A171-E173 VanDerWaalsContact O-N 3.14Å; A171-D174 PolarHBondContact O-N 3.18Å; A171-H175 PolarHBondContact O-N 2.93Å; A171-H175 VanDerWaalsContact O-N 3.16Å | ||
| 172 | P | 61.1 | Low | 57.2 | Low | 96 Ų | 96 | 112.6 Ų | 112.6 | 62% | 0.623 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -52.9 | -34.1 | 177.5 | -27.3 | 35.3 | 0 | 0 | 0 | 113.6 | H175 Y176 | P172-H175 WeakPolarHBondContact O-CB 3.45Å; P172-H175 PolarHBondContact O-N 3.3Å; P172-Y176 PolarHBondContact O-N 2.85Å |
| 173 | E | 67.8 | Low | 58.4 | Low | 127 Ų | 127 | 111.1 Ų | 111.1 | 59% | 0.593 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.2 | -35.7 | -179.5 | -62.4 | 67.2 | -146.1 | 0 | 0 | 112 | A171 R177 | A171-E173 PolarHBondContact O-N 3.12Å; A171-E173 VanDerWaalsContact O-N 3.14Å; E173-R177 WeakPolarHBondContact O-CB 3.47Å; E173-R177 WeakPolarHBondContact O-CG 3.47Å; E173-R177 PolarHBondContact O-N 3.4Å |
| 174 | D | 68.1 | Low | 59.4 | Low | 63 Ų | 63 | 108 Ų | 108 | 34% | 0.337 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -76.9 | -31 | 174.9 | -75.1 | -32.5 | 0 | 0 | 0 | 112 | M170 A171 R178 | M170-D174 HydrophobicContact CE-CB 3.51Å; M170-D174 WeakPolarHBondContact CE-OD2 3.35Å; A171-D174 PolarHBondContact O-N 3.18Å; D174-R178 WeakPolarHBondContact O-CB 3.42Å; D174-R178 WeakPolarHBondContact O-CG 3.26Å; D174-R178 PolarHBondContact O-N 3.31Å |
| 175 | H | 74 | Confident | 59.9 | Low | 125 Ų | 125 | 106.3 Ų | 106.3 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.7 | -46.9 | 169 | -174.9 | 89 | 0 | 0 | 0 | 110.4 | A171 P172 R178 L179 | A171-H175 PolarHBondContact O-N 2.93Å; A171-H175 VanDerWaalsContact O-N 3.16Å; P172-H175 WeakPolarHBondContact O-CB 3.45Å; P172-H175 PolarHBondContact O-N 3.3Å; H175-R178 PolarHBondContact O-N 3.29Å; H175-L179 WeakPolarHBondContact O-CB 3.39Å; H175-L179 PolarHBondContact O-N 3.3Å |
| 176 | Y | 70.6 | Confident | 60.8 | Low | 159 Ų | 159 | 101.1 Ų | 101.1 | 62% | 0.624 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.7 | -45.2 | 175 | -175.7 | -99.9 | 0 | 0 | 0 | 112.2 | P172 L179 V180 | P172-Y176 PolarHBondContact O-N 2.85Å; Y176-L179 PolarHBondContact O-N 2.93Å; Y176-V180 HydrophobicContact CD1-CG2 4.13Å; Y176-V180 HydrophobicContact CE1-CG2 3.7Å; Y176-V180 HydrophobicContact CE2-CG2 4.21Å; Y176-V180 WeakPolarHBondContact O-CG2 3.39Å; Y176-V180 PolarHBondContact O-N 3.3Å |
| 177 | R | 74.4 | Confident | 60.8 | Low | 172 Ų | 172 | 100.2 Ų | 100.2 | 65% | 0.649 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.8 | -39.7 | 177.3 | -74.8 | -146.4 | -69.7 | 172.1 | -5.1 | 113 | E173 L179 V180 S181 | E173-R177 WeakPolarHBondContact O-CB 3.47Å; E173-R177 WeakPolarHBondContact O-CG 3.47Å; E173-R177 PolarHBondContact O-N 3.4Å; R177-L179 VanDerWaalsContact C-N 3.33Å; R177-L179 PolarHBondContact O-N 3.33Å; R177-V180 PolarHBondContact O-N 3.11Å; R177-S181 WeakPolarHBondContact O-CB 3.46Å; R177-S181 PolarHBondContact O-N 3.31Å; R177-S181 PolarHBondContact O-OG 3.25Å |
| 178 | R | 73.9 | Confident | 61.1 | Low | 153 Ų | 153 | 102.8 Ų | 102.8 | 58% | 0.577 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.2 | -40.2 | 172.7 | -76 | 176.7 | -178.2 | 157.2 | 6.6 | 112.2 | M170 D174 H175 S181 A182 | M170-R178 PolarHBondContact SD-NH1 3.33Å; D174-R178 WeakPolarHBondContact O-CB 3.42Å; D174-R178 WeakPolarHBondContact O-CG 3.26Å; D174-R178 PolarHBondContact O-N 3.31Å; H175-R178 PolarHBondContact O-N 3.29Å; R178-S181 PolarHBondContact O-N 2.85Å; R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 3.42Å |
| 179 | L | 76.3 | Confident | 61.3 | Low | 83 Ų | 83 | 106.6 Ų | 106.6 | 44% | 0.435 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.1 | -43.6 | 177.9 | -167.9 | 152.3 | 0 | 0 | 0 | 111.5 | H175 Y176 R177 A182 L183 | H175-L179 WeakPolarHBondContact O-CB 3.39Å; H175-L179 PolarHBondContact O-N 3.3Å; Y176-L179 PolarHBondContact O-N 2.93Å; R177-L179 VanDerWaalsContact C-N 3.33Å; R177-L179 PolarHBondContact O-N 3.33Å; L179-A182 PolarHBondContact O-N 2.62Å; L179-L183 HydrophobicContact CD2-CD1 3.7Å; L179-L183 HydrophobicContact CD2-CG 4.39Å; L179-L183 WeakPolarHBondContact O-CG 3.42Å; L179-L183 PolarHBondContact O-N 3.39Å |
| 180 | V | 67.1 | Low | 60.8 | Low | 66 Ų | 66 | 108.3 Ų | 108.3 | 40% | 0.4 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.4 | -40.7 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 111.9 | Y176 R177 L183 S184 | Y176-V180 HydrophobicContact CD1-CG2 4.13Å; Y176-V180 HydrophobicContact CE1-CG2 3.7Å; Y176-V180 HydrophobicContact CE2-CG2 4.21Å; Y176-V180 WeakPolarHBondContact O-CG2 3.39Å; Y176-V180 PolarHBondContact O-N 3.3Å; R177-V180 PolarHBondContact O-N 3.11Å; V180-L183 PolarHBondContact O-N 3.24Å; V180-S184 PolarHBondContact O-N 2.87Å |
| 181 | S | 67.6 | Low | 59.8 | Low | 64 Ų | 64 | 108.2 Ų | 108.2 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.8 | -47.5 | 174.4 | -71.9 | 0 | 0 | 0 | 0 | 112.1 | R177 R178 L183 S184 E185 | R177-S181 WeakPolarHBondContact O-CB 3.46Å; R177-S181 PolarHBondContact O-N 3.31Å; R177-S181 PolarHBondContact O-OG 3.25Å; R178-S181 PolarHBondContact O-N 2.85Å; S181-L183 VanDerWaalsContact C-N 3.3Å; S181-L183 PolarHBondContact O-N 3.27Å; S181-S184 WeakPolarHBondContact O-CA 3.25Å; S181-S184 PolarHBondContact O-N 3.26Å; S181-S184 PolarHBondContact O-OG 2.85Å; S181-E185 PolarHBondContact O-N 3.43Å |
| 182 | A | 61.5 | Low | 59 | Low | 55 Ų | 55 | 111.4 Ų | 111.4 | 46% | 0.455 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61 | -37.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R178 L179 S184 E185 A186 | R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 3.42Å; L179-A182 PolarHBondContact O-N 2.62Å; A182-S184 VanDerWaalsContact C-N 3.29Å; A182-S184 PolarHBondContact O-N 3.46Å; A182-E185 PolarHBondContact O-N 2.91Å; A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.48Å; A182-A186 VanDerWaalsContact O-N 3.14Å |
| 183 | L | 57.9 | Low | 58.2 | Low | 123 Ų | 123 | 113.5 Ų | 113.5 | 64% | 0.644 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -68 | -26.1 | 173.1 | -71 | 175.5 | 0 | 0 | 0 | 113.3 | L179 V180 S181 | L179-L183 HydrophobicContact CD2-CD1 3.7Å; L179-L183 HydrophobicContact CD2-CG 4.39Å; L179-L183 WeakPolarHBondContact O-CG 3.42Å; L179-L183 PolarHBondContact O-N 3.39Å; V180-L183 PolarHBondContact O-N 3.24Å; S181-L183 VanDerWaalsContact C-N 3.3Å; S181-L183 PolarHBondContact O-N 3.27Å |
| 184 | S | 55 | Low | 57.1 | Low | 71 Ų | 71 | 116.6 Ų | 116.6 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -80 | -34 | 174.7 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | V180 S181 A182 S187 | V180-S184 PolarHBondContact O-N 2.87Å; S181-S184 WeakPolarHBondContact O-CA 3.25Å; S181-S184 PolarHBondContact O-N 3.26Å; S181-S184 PolarHBondContact O-OG 2.85Å; A182-S184 VanDerWaalsContact C-N 3.29Å; A182-S184 PolarHBondContact O-N 3.46Å; S184-S187 WeakPolarHBondContact O-CB 3.47Å; S184-S187 PolarHBondContact O-OG 3.19Å |
| 185 | E | 48.3 | Very low | 55.9 | Low | 148 Ų | 148 | 120.5 Ų | 120.5 | 69% | 0.692 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.2 | -28.6 | 175.7 | -69.6 | 177.6 | 160 | 0 | 0 | 112.2 | S181 A182 S187 | S181-E185 PolarHBondContact O-N 3.43Å; A182-E185 PolarHBondContact O-N 2.91Å; E185-S187 PolarHBondContact O-N 2.91Å |
| 186 | A | 49.4 | Very low | 54.8 | Low | 81 Ų | 81 | 123.6 Ų | 123.6 | 67% | 0.669 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 19.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115 | A182 | A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.48Å; A182-A186 VanDerWaalsContact O-N 3.14Å |
| 187 | S | 41.9 | Very low | 53.5 | Low | 101 Ų | 101 | 124.3 Ų | 124.3 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | -8.1 | 179.1 | 58 | 0 | 0 | 0 | 0 | 114.3 | S184 E185 | S184-S187 WeakPolarHBondContact O-CB 3.47Å; S184-S187 PolarHBondContact O-OG 3.19Å; E185-S187 PolarHBondContact O-N 2.91Å |
| 188 | T | 40.3 | Very low | 52.3 | Low | 119 Ų | 119 | 122.5 Ų | 122.5 | 73% | 0.73 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -90.9 | 121.7 | 167.6 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | E190 | T188-E190 PolarHBondContact O-N 2.69Š|
| 189 | F | 50.9 | Low | 50.8 | Low | 192 Ų | 192 | 118.6 Ų | 118.6 | 84% | 0.842 | 64% | 0.642 | S | S | * | * | trans | -59.6 | 110.7 | 178.9 | 175.4 | -89 | 0 | 0 | 0 | 112.8 | ||||
| 190 | E | 43.9 | Very low | 49.1 | Very low | 162 Ų | 162 | 121.7 Ų | 121.7 | 76% | 0.757 | 66% | 0.658 | S | S | * | * | trans | 172 | 165.5 | 143.1 | -94 | -77 | 44.4 | 0 | 0 | 111.3 | T188 | T188-E190 PolarHBondContact O-N 2.69Š| ||
| 191 | D | 39 | Very low | 48 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 38% | 0.38 | 67% | 0.669 | S | S | . | * | trans | 64.3 | 92.1 | 171.6 | -170.7 | 13.3 | 0 | 0 | 0 | 119.2 | Q193 R194 | D191-Q193 VanDerWaalsContact C-N 3.33Å; D191-Q193 PolarHBondContact O-N 2.96Å; D191-Q193 VanDerWaalsContact OD1-CB 3.27Å; D191-Q193 WeakPolarHBondContact OD1-CB 3.38Å; D191-Q193 PolarHBondContact OD1-N 3.24Å; D191-R194 WeakPolarHBondContact OD2-CD 3.39Å; D191-R194 WeakPolarHBondContact OD2-CG 3.42Å; D191-R194 IonicContact OD2-NH1 3.53Å | ||
| 192 | P | 49.3 | Very low | 46.6 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -70.4 | -11.7 | 171 | -19.7 | 33.4 | 0 | 0 | 0 | 116.6 | R194 | P192-R194 PolarHBondContact O-N 3.15Š|
| 193 | Q | 44.8 | Very low | 45.8 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 65% | 0.654 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -78.2 | -19.5 | -167.3 | -67.3 | -82.8 | -54.6 | 0 | 0 | 114 | D191 L195 | D191-Q193 VanDerWaalsContact C-N 3.33Å; D191-Q193 PolarHBondContact O-N 2.96Å; D191-Q193 VanDerWaalsContact OD1-CB 3.27Å; D191-Q193 WeakPolarHBondContact OD1-CB 3.38Å; D191-Q193 PolarHBondContact OD1-N 3.24Å; Q193-L195 PolarHBondContact O-N 2.92Å |
| 194 | R | 44.1 | Very low | 45.3 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 73% | 0.728 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -73.7 | -24.3 | -169.1 | -47.5 | -166.1 | 76.8 | 86.8 | -2.7 | 114.3 | D191 P192 Y196 | D191-R194 WeakPolarHBondContact OD2-CD 3.39Å; D191-R194 WeakPolarHBondContact OD2-CG 3.42Å; D191-R194 IonicContact OD2-NH1 3.53Å; P192-R194 PolarHBondContact O-N 3.15Å; R194-Y196 VanDerWaalsContact C-N 3.28Å; R194-Y196 PolarHBondContact O-N 3.4Å |
| 195 | L | 44.8 | Very low | 45.2 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -70.3 | -21.2 | -175.2 | -116 | 164.9 | 0 | 0 | 0 | 113.8 | Q193 H197 | Q193-L195 PolarHBondContact O-N 2.92Å; L195-H197 VanDerWaalsContact C-N 3.31Å; L195-H197 PolarHBondContact O-N 2.96Å |
| 196 | Y | 49.7 | Very low | 45.1 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -74.4 | -14.2 | -176.9 | -64.4 | -79.4 | 0 | 0 | 0 | 114.7 | R194 | R194-Y196 VanDerWaalsContact C-N 3.28Å; R194-Y196 PolarHBondContact O-N 3.4Å |
| 197 | H | 44.2 | Very low | 45.5 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -92.1 | -2.3 | -174.1 | -80.4 | 79.9 | 0 | 0 | 0 | 115.1 | L195 | L195-H197 VanDerWaalsContact C-N 3.31Å; L195-H197 PolarHBondContact O-N 2.96Å |
| 198 | L | 49.3 | Very low | 46 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -91.9 | 3.4 | -173.3 | -100.7 | 166.9 | 0 | 0 | 0 | 115.9 | L200 | L198-L200 PolarHBondContact O-N 2.97Š|
| 199 | G | 42.4 | Very low | 47.5 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 71% | 0.709 | S | S | * | * | trans | 62.3 | 15.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 200 | L | 40.5 | Very low | 48.1 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 78% | 0.775 | 70% | 0.7 | S | S | * | * | trans | -68 | 125 | -179.7 | -72.2 | 170.8 | 0 | 0 | 0 | 111 | L198 S202 | L198-L200 PolarHBondContact O-N 2.97Å; L200-S202 PolarHBondContact O-N 3.19Å; L200-S202 VanDerWaalsContact O-N 3.08Å | ||
| 201 | P | 42.7 | Very low | 49.2 | Very low | 97 Ų | 97 | 124.2 Ų | 124.2 | 63% | 0.63 | 69% | 0.687 | S | S | * | * | trans | -70.9 | 106.5 | 177.2 | 28.3 | -33.2 | 0 | 0 | 0 | 110.1 | H203 | P201-H203 VanDerWaalsContact C-N 3.31Å; P201-H203 PolarHBondContact O-CD2 3.19Å; P201-H203 PolarHBondContact O-N 3.05Å | ||
| 202 | S | 39.3 | Very low | 50.3 | Low | 114 Ų | 114 | 125.6 Ų | 125.6 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | trans | -72.8 | 84.3 | 175.6 | -168.2 | 0 | 0 | 0 | 0 | 110.8 | L200 G204 | L200-S202 PolarHBondContact O-N 3.19Å; L200-S202 VanDerWaalsContact O-N 3.08Å; S202-G204 PolarHBondContact O-N 3.02Å | ||
| 203 | H | 44.8 | Very low | 51.5 | Low | 174 Ų | 174 | 122.6 Ų | 122.6 | 81% | 0.806 | 68% | 0.676 | S | S | * | * | trans | -67.4 | 111.9 | 175.9 | -80.1 | -93.3 | 0 | 0 | 0 | 111 | P201 | P201-H203 VanDerWaalsContact C-N 3.31Å; P201-H203 PolarHBondContact O-CD2 3.19Å; P201-H203 PolarHBondContact O-N 3.05Å | ||
| 204 | G | 47.5 | Very low | 53.2 | Low | 65 Ų | 65 | 121.8 Ų | 121.8 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 145.1 | -35.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | S202 | S202-G204 PolarHBondContact O-N 3.02Š|
| 205 | Y | 52.2 | Low | 54.5 | Low | 182 Ų | 182 | 118.6 Ų | 118.6 | 71% | 0.714 | 67% | 0.667 | S | S | * | * | trans | -121.1 | 40.9 | -164.7 | -67.8 | -78.2 | 0 | 0 | 0 | 114.9 | F207 | Y205-F207 PolarHBondContact O-N 2.78Å; Y205-F207 VanDerWaalsContact O-N 3.15Å | ||
| 206 | G | 45.8 | Very low | 56.1 | Low | 86 Ų | 86 | 116.2 Ų | 116.2 | 89% | 0.887 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 26 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 207 | F | 57.3 | Low | 57.8 | Low | 198 Ų | 198 | 110 Ų | 110 | 87% | 0.868 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.4 | 16.1 | -174.4 | -160.8 | -105.4 | 0 | 0 | 0 | 115.1 | Y205 | Y205-F207 PolarHBondContact O-N 2.78Å; Y205-F207 VanDerWaalsContact O-N 3.15Å |
| 208 | L | 52.9 | Low | 59.9 | Low | 76 Ų | 76 | 110.2 Ų | 110.2 | 40% | 0.398 | 63% | 0.632 | S | S | . | * | S | Bend | trans | -126.9 | 134 | 172.8 | -60.8 | 175.7 | 0 | 0 | 0 | 109.5 | Q212 | L208-Q212 HydrophobicContact CB-CB 4.37Å; L208-Q212 HydrophobicContact CD2-CG 4.4Å |
| 209 | P | 71.4 | Confident | 61.7 | Low | 83 Ų | 83 | 109.9 Ų | 109.9 | 54% | 0.539 | 63% | 0.627 | S | S | . | * | trans | -57.2 | 150.2 | 172.2 | -25.2 | 35.2 | 0 | 0 | 0 | 111.6 | A211 Q212 A213 | P209-A211 PolarHBondContact O-N 2.94Å; P209-Q212 WeakPolarHBondContact O-CA 3.48Å; P209-Q212 WeakPolarHBondContact O-CB 3.25Å; P209-Q212 PolarHBondContact O-N 3.49Å; P209-A213 PolarHBondContact O-N 3.4Å | ||
| 210 | P | 64.3 | Low | 63.8 | Low | 100 Ų | 100 | 110.8 Ų | 110.8 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -50.9 | -47 | -171.2 | -31 | 36.4 | 0 | 0 | 0 | 114.9 | Q212 A213 E214 | P210-Q212 PolarHBondContact O-N 3.14Å; P210-Q212 VanDerWaalsContact O-N 3.14Å; P210-A213 WeakPolarHBondContact O-CB 3.44Å; P210-A213 PolarHBondContact O-N 2.84Å; P210-E214 WeakPolarHBondContact O-CG 3.42Å; P210-E214 PolarHBondContact O-N 3.11Å |
| 211 | A | 66.8 | Low | 66.1 | Low | 59 Ų | 59 | 106.6 Ų | 106.6 | 49% | 0.488 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.7 | -29 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P209 M215 | P209-A211 PolarHBondContact O-N 2.94Å; A211-M215 WeakPolarHBondContact O-CB 3.36Å; A211-M215 WeakPolarHBondContact O-CE 3.26Å; A211-M215 WeakPolarHBondContact O-CG 3.5Å; A211-M215 PolarHBondContact O-N 2.81Å |
| 212 | Q | 63 | Low | 68.4 | Low | 100 Ų | 100 | 107.5 Ų | 107.5 | 47% | 0.467 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -80.3 | -33.6 | 177.4 | -167.1 | 173.1 | 15.9 | 0 | 0 | 112 | L208 P209 P210 F216 | L208-Q212 HydrophobicContact CB-CB 4.37Å; L208-Q212 HydrophobicContact CD2-CG 4.4Å; P209-Q212 WeakPolarHBondContact O-CA 3.48Å; P209-Q212 WeakPolarHBondContact O-CB 3.25Å; P209-Q212 PolarHBondContact O-N 3.49Å; P210-Q212 PolarHBondContact O-N 3.14Å; P210-Q212 VanDerWaalsContact O-N 3.14Å; Q212-F216 WeakPolarHBondContact O-CB 3.44Å; Q212-F216 PolarHBondContact O-N 2.93Å |
| 213 | A | 74.8 | Confident | 70.8 | Confident | 46 Ų | 46 | 105.9 Ų | 105.9 | 38% | 0.38 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.8 | -41 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P209 P210 F216 A217 | P209-A213 PolarHBondContact O-N 3.4Å; P210-A213 WeakPolarHBondContact O-CB 3.44Å; P210-A213 PolarHBondContact O-N 2.84Å; A213-F216 PolarHBondContact O-N 3.48Å; A213-A217 WeakPolarHBondContact O-CB 3.39Å; A213-A217 PolarHBondContact O-N 2.81Å |
| 214 | E | 78.5 | Confident | 72.8 | Confident | 123 Ų | 123 | 104.1 Ų | 104.1 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.6 | -46.7 | 174.8 | -72.9 | 169.1 | -156.6 | 0 | 0 | 112.2 | P210 F216 A217 W218 | P210-E214 WeakPolarHBondContact O-CG 3.42Å; P210-E214 PolarHBondContact O-N 3.11Å; E214-F216 VanDerWaalsContact C-N 3.33Å; E214-F216 PolarHBondContact O-N 3.38Å; E214-A217 PolarHBondContact O-N 2.99Å; E214-W218 PolarHBondContact O-N 3.42Å |
| 215 | M | 71.8 | Confident | 74.8 | Confident | 126 Ų | 126 | 106 Ų | 106 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -61.7 | -39.3 | 174.9 | -77.5 | -173.9 | -75.6 | 0 | 0 | 112.4 | A211 W218 Q219 | A211-M215 WeakPolarHBondContact O-CB 3.36Å; A211-M215 WeakPolarHBondContact O-CE 3.26Å; A211-M215 WeakPolarHBondContact O-CG 3.5Å; A211-M215 PolarHBondContact O-N 2.81Å; M215-W218 PolarHBondContact O-N 3.27Å; M215-Q219 WeakPolarHBondContact O-CB 3.37Å; M215-Q219 PolarHBondContact O-N 3.48Å |
| 216 | F | 79.9 | Confident | 76.3 | Confident | 95 Ų | 95 | 102.8 Ų | 102.8 | 42% | 0.417 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 175.4 | -174.7 | -101.8 | 0 | 0 | 0 | 112.2 | Q212 A213 E214 Q219 Q220 | Q212-F216 WeakPolarHBondContact O-CB 3.44Å; Q212-F216 PolarHBondContact O-N 2.93Å; A213-F216 PolarHBondContact O-N 3.48Å; E214-F216 VanDerWaalsContact C-N 3.33Å; E214-F216 PolarHBondContact O-N 3.38Å; F216-Q219 WeakPolarHBondContact O-CB 3.46Å; F216-Q219 PolarHBondContact O-N 2.66Å; F216-Q220 HydrophobicContact CD1-CG 4.21Å; F216-Q220 HydrophobicContact CE1-CG 3.87Å; F216-Q220 HydrophobicContact CZ-CG 4.14Å; F216-Q220 WeakPolarHBondContact O-CG 3.27Å; F216-Q220 PolarHBondContact O-N 3.45Å |
| 217 | A | 84.8 | Confident | 77.9 | Confident | 58 Ų | 58 | 101.6 Ų | 101.6 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A213 E214 Q219 Q220 E221 | A213-A217 WeakPolarHBondContact O-CB 3.39Å; A213-A217 PolarHBondContact O-N 2.81Å; E214-A217 PolarHBondContact O-N 2.99Å; A217-Q219 PolarHBondContact O-N 2.86Å; A217-Q220 PolarHBondContact O-N 2.81Å; A217-E221 WeakPolarHBondContact O-CB 3.49Å; A217-E221 PolarHBondContact O-N 3.36Å |
| 218 | W | 87.3 | Confident | 79.1 | Confident | 180 Ų | 180 | 95.7 Ų | 95.7 | 68% | 0.682 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.2 | -40.6 | 172.2 | -95.9 | 102.2 | 0 | 0 | 0 | 112.9 | E214 M215 E221 L222 | E214-W218 PolarHBondContact O-N 3.42Å; M215-W218 PolarHBondContact O-N 3.27Å; W218-E221 PolarHBondContact O-N 3.26Å; W218-L222 VanDerWaalsContact O-CB 3.28Å; W218-L222 WeakPolarHBondContact O-CB 3.37Å; W218-L222 PolarHBondContact O-N 3.32Å |
| 219 | Q | 87.9 | Confident | 80 | Confident | 126 Ų | 126 | 94.7 Ų | 94.7 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 175.5 | -175.6 | -178.4 | -42.1 | 0 | 0 | 111.7 | M215 F216 A217 L223 | M215-Q219 WeakPolarHBondContact O-CB 3.37Å; M215-Q219 PolarHBondContact O-N 3.48Å; F216-Q219 WeakPolarHBondContact O-CB 3.46Å; F216-Q219 PolarHBondContact O-N 2.66Å; A217-Q219 PolarHBondContact O-N 2.86Å; Q219-L223 WeakPolarHBondContact O-CB 3.47Å; Q219-L223 PolarHBondContact O-N 3.38Å |
| 220 | Q | 86.7 | Confident | 80 | Confident | 90 Ų | 90 | 98.7 Ų | 98.7 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -43.8 | 175.2 | -68.3 | -62.2 | -26.7 | 0 | 0 | 111.8 | F216 A217 L223 R224 | F216-Q220 HydrophobicContact CD1-CG 4.21Å; F216-Q220 HydrophobicContact CE1-CG 3.87Å; F216-Q220 HydrophobicContact CZ-CG 4.14Å; F216-Q220 WeakPolarHBondContact O-CG 3.27Å; F216-Q220 PolarHBondContact O-N 3.45Å; A217-Q220 PolarHBondContact O-N 2.81Å; Q220-L223 PolarHBondContact O-N 3.07Å; Q220-R224 WeakPolarHBondContact O-CB 3.15Å; Q220-R224 PolarHBondContact O-N 2.93Å |
| 221 | E | 87.9 | Confident | 80.5 | Confident | 60 Ų | 60 | 99.9 Ų | 99.9 | 28% | 0.28 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.6 | -38 | 178.7 | 179.1 | 58.8 | -170.2 | 0 | 0 | 112.3 | A217 W218 R224 K225 | A217-E221 WeakPolarHBondContact O-CB 3.49Å; A217-E221 PolarHBondContact O-N 3.36Å; W218-E221 PolarHBondContact O-N 3.26Å; E221-R224 PolarHBondContact O-N 3.43Å; E221-R224 IonicContact OE1-CZ 3.62Å; E221-R224 IonicContact OE1-NE 3.71Å; E221-R224 IonicContact OE1-NH2 2.72Å; E221-R224 PolarHBondContact OE1-NH2 2.88Å; E221-R224 IonicContact OE2-CZ 3.4Å; E221-R224 IonicContact OE2-NE 2.72Å; E221-R224 PolarHBondContact OE2-NE 3.12Å; E221-R224 IonicContact OE2-NH2 3.23Å; E221-R224 PolarHBondContact OE2-NH2 3.28Å; E221-K225 HydrophobicContact CG-CD 4.46Å; E221-K225 WeakPolarHBondContact O-CB 3.49Å; E221-K225 WeakPolarHBondContact O-CG 3.47Å; E221-K225 PolarHBondContact O-N 3.49Å; E221-K225 WeakPolarHBondContact OE1-CE 3.31Å; E221-K225 IonicContact OE1-NZ 3.13Å |
| 222 | L | 91.8 | Very high | 80.8 | Confident | 116 Ų | 116 | 101.8 Ų | 101.8 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -41.4 | 173.9 | -175.4 | 62.4 | 0 | 0 | 0 | 111.4 | W218 K225 Q226 | W218-L222 VanDerWaalsContact O-CB 3.28Å; W218-L222 WeakPolarHBondContact O-CB 3.37Å; W218-L222 PolarHBondContact O-N 3.32Å; L222-K225 PolarHBondContact O-N 3.22Å; L222-Q226 WeakPolarHBondContact O-CB 2.97Å; L222-Q226 PolarHBondContact O-N 2.91Å |
| 223 | L | 89.3 | Confident | 81.2 | Confident | 81 Ų | 81 | 103 Ų | 103 | 42% | 0.424 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -38 | 174.3 | -175.4 | 61.3 | 0 | 0 | 0 | 111.8 | Q219 Q220 Q226 N227 | Q219-L223 WeakPolarHBondContact O-CB 3.47Å; Q219-L223 PolarHBondContact O-N 3.38Å; Q220-L223 PolarHBondContact O-N 3.07Å; L223-Q226 PolarHBondContact O-N 3.39Å; L223-N227 PolarHBondContact O-N 2.87Å; L223-N227 PolarHBondContact O-ND2 3.15Å |
| 224 | R | 88.1 | Confident | 81.1 | Confident | 136 Ų | 136 | 103.9 Ų | 103.9 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 174.4 | -166.1 | -173.3 | 70.4 | 83.7 | 2.9 | 111.2 | Q220 E221 N227 L228 | Q220-R224 WeakPolarHBondContact O-CB 3.15Å; Q220-R224 PolarHBondContact O-N 2.93Å; E221-R224 PolarHBondContact O-N 3.43Å; E221-R224 IonicContact OE1-CZ 3.62Å; E221-R224 IonicContact OE1-NE 3.71Å; E221-R224 IonicContact OE1-NH2 2.72Å; E221-R224 PolarHBondContact OE1-NH2 2.88Å; E221-R224 IonicContact OE2-CZ 3.4Å; E221-R224 IonicContact OE2-NE 2.72Å; E221-R224 PolarHBondContact OE2-NE 3.12Å; E221-R224 IonicContact OE2-NH2 3.23Å; E221-R224 PolarHBondContact OE2-NH2 3.28Å; R224-N227 PolarHBondContact O-N 2.8Å; R224-L228 WeakPolarHBondContact O-CB 3.37Å; R224-L228 PolarHBondContact O-N 2.97Å |
| 225 | K | 87.7 | Confident | 80.9 | Confident | 104 Ų | 104 | 100.5 Ų | 100.5 | 45% | 0.452 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 175.5 | -73.6 | 178.3 | -179.3 | 177.7 | 0 | 112.3 | E221 L222 N227 L228 A229 | E221-K225 HydrophobicContact CG-CD 4.46Å; E221-K225 WeakPolarHBondContact O-CB 3.49Å; E221-K225 WeakPolarHBondContact O-CG 3.47Å; E221-K225 PolarHBondContact O-N 3.49Å; E221-K225 WeakPolarHBondContact OE1-CE 3.31Å; E221-K225 IonicContact OE1-NZ 3.13Å; L222-K225 PolarHBondContact O-N 3.22Å; K225-N227 VanDerWaalsContact C-N 3.35Å; K225-N227 PolarHBondContact O-N 3.15Å; K225-L228 PolarHBondContact O-N 2.94Å; K225-A229 PolarHBondContact O-N 3.31Å |
| 226 | Q | 83.9 | Confident | 80.9 | Confident | 115 Ų | 115 | 99.4 Ų | 99.4 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 176.5 | -170.5 | -168.4 | 99.8 | 0 | 0 | 111.8 | L222 L223 R230 | L222-Q226 WeakPolarHBondContact O-CB 2.97Å; L222-Q226 PolarHBondContact O-N 2.91Å; L223-Q226 PolarHBondContact O-N 3.39Å; Q226-R230 WeakPolarHBondContact O-CG 3.49Å; Q226-R230 PolarHBondContact O-N 3.5Å |
| 227 | N | 80 | Confident | 80.7 | Confident | 62 Ų | 62 | 100.1 Ų | 100.1 | 33% | 0.332 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.1 | -32.9 | 177.7 | -75.4 | -67.1 | 0 | 0 | 0 | 112.8 | L223 R224 K225 R230 L231 | L223-N227 PolarHBondContact O-N 2.87Å; L223-N227 PolarHBondContact O-ND2 3.15Å; R224-N227 PolarHBondContact O-N 2.8Å; K225-N227 VanDerWaalsContact C-N 3.35Å; K225-N227 PolarHBondContact O-N 3.15Å; N227-R230 PolarHBondContact O-N 2.92Å; N227-L231 WeakPolarHBondContact O-CG 3.37Å; N227-L231 PolarHBondContact O-N 3.07Å |
| 228 | L | 82.3 | Confident | 80.3 | Confident | 74 Ų | 74 | 103.3 Ų | 103.3 | 39% | 0.387 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 173.4 | -178.5 | 60.2 | 0 | 0 | 0 | 111.6 | R224 K225 R230 L231 E232 | R224-L228 WeakPolarHBondContact O-CB 3.37Å; R224-L228 PolarHBondContact O-N 2.97Å; K225-L228 PolarHBondContact O-N 2.94Å; L228-R230 PolarHBondContact O-N 3.04Å; L228-L231 CarbonylContact O-C 3.59Å; L228-L231 WeakPolarHBondContact O-CA 3.37Å; L228-L231 WeakPolarHBondContact O-CB 3.44Å; L228-L231 PolarHBondContact O-N 3.37Å; L228-E232 HydrophobicContact CD1-CG 4.39Å; L228-E232 HydrophobicContact CG-CG 4.4Å; L228-E232 WeakPolarHBondContact O-CG 3.22Å; L228-E232 PolarHBondContact O-N 2.98Å |
| 229 | A | 72.3 | Confident | 79.9 | Confident | 54 Ų | 54 | 103.2 Ų | 103.2 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -30 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | K225 L231 E232 | K225-A229 PolarHBondContact O-N 3.31Å; A229-L231 VanDerWaalsContact C-N 3.28Å; A229-L231 PolarHBondContact O-N 3.29Å; A229-E232 WeakPolarHBondContact CA-OE2 3.48Å |
| 230 | R | 72.1 | Confident | 79.4 | Confident | 167 Ų | 167 | 103.2 Ų | 103.2 | 63% | 0.63 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73 | -15.2 | 172.9 | -71.5 | 178.8 | 69.3 | -139 | -0.5 | 114.2 | Q226 N227 L228 P234 | Q226-R230 WeakPolarHBondContact O-CG 3.49Å; Q226-R230 PolarHBondContact O-N 3.5Å; N227-R230 PolarHBondContact O-N 2.92Å; L228-R230 PolarHBondContact O-N 3.04Å; R230-P234 VanDerWaalsContact O-CD 3.24Å; R230-P234 WeakPolarHBondContact O-CD 3.48Å; R230-P234 WeakPolarHBondContact O-CG 3.37Å |
| 231 | L | 73.3 | Confident | 79 | Confident | 125 Ų | 125 | 106 Ų | 106 | 65% | 0.654 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -102.1 | -23.1 | 176.9 | -65.9 | 171.3 | 0 | 0 | 0 | 112.8 | N227 L228 A229 P234 A235 | N227-L231 WeakPolarHBondContact O-CG 3.37Å; N227-L231 PolarHBondContact O-N 3.07Å; L228-L231 CarbonylContact O-C 3.59Å; L228-L231 WeakPolarHBondContact O-CA 3.37Å; L228-L231 WeakPolarHBondContact O-CB 3.44Å; L228-L231 PolarHBondContact O-N 3.37Å; A229-L231 VanDerWaalsContact C-N 3.28Å; A229-L231 PolarHBondContact O-N 3.29Å; L231-P234 WeakPolarHBondContact O-CD 3.13Å; L231-A235 PolarHBondContact O-N 2.69Å |
| 232 | E | 73 | Confident | 78.5 | Confident | 99 Ų | 99 | 109.7 Ų | 109.7 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.9 | -47.8 | 174 | -71.4 | 168.5 | 159.1 | 0 | 0 | 111.8 | L228 A229 A235 D236 | L228-E232 HydrophobicContact CD1-CG 4.39Å; L228-E232 HydrophobicContact CG-CG 4.4Å; L228-E232 WeakPolarHBondContact O-CG 3.22Å; L228-E232 PolarHBondContact O-N 2.98Å; A229-E232 WeakPolarHBondContact CA-OE2 3.48Å; E232-A235 WeakPolarHBondContact O-CA 3.28Å; E232-A235 WeakPolarHBondContact O-CB 3.38Å; E232-A235 PolarHBondContact O-N 3.46Å; E232-D236 PolarHBondContact O-N 3.13Å |
| 233 | L | 72.6 | Confident | 77.5 | Confident | 126 Ų | 126 | 110.4 Ų | 110.4 | 66% | 0.66 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -57.8 | -41.9 | -179 | -167.8 | 81.7 | 0 | 0 | 0 | 113.9 | L237 | L233-L237 PolarHBondContact O-N 3.33Å |
| 234 | P | 73.1 | Confident | 76.4 | Confident | 65 Ų | 65 | 112.8 Ų | 112.8 | 42% | 0.422 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.6 | -32.2 | 170.6 | -22.8 | 34.9 | 0 | 0 | 0 | 114.5 | R230 L231 L238 | R230-P234 VanDerWaalsContact O-CD 3.24Å; R230-P234 WeakPolarHBondContact O-CD 3.48Å; R230-P234 WeakPolarHBondContact O-CG 3.37Å; L231-P234 WeakPolarHBondContact O-CD 3.13Å; P234-L238 WeakPolarHBondContact O-CG 3.33Å; P234-L238 PolarHBondContact O-N 3.13Å |
| 235 | A | 72.6 | Confident | 75.3 | Confident | 52 Ų | 52 | 110.9 Ų | 110.9 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -70.7 | -42.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L231 E232 L238 R239 | L231-A235 PolarHBondContact O-N 2.69Å; E232-A235 WeakPolarHBondContact O-CA 3.28Å; E232-A235 WeakPolarHBondContact O-CB 3.38Å; E232-A235 PolarHBondContact O-N 3.46Å; A235-L238 PolarHBondContact O-N 2.85Å; A235-R239 PolarHBondContact O-N 2.8Å |
| 236 | D | 73.3 | Confident | 74.2 | Confident | 102 Ų | 102 | 109.5 Ų | 109.5 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.2 | -39.3 | 173.6 | -78.7 | -35.1 | 0 | 0 | 0 | 111.9 | E232 L238 R239 Q240 | E232-D236 PolarHBondContact O-N 3.13Å; D236-L238 VanDerWaalsContact C-N 3.34Å; D236-L238 PolarHBondContact O-N 3.12Å; D236-R239 PolarHBondContact O-N 3.1Å; D236-Q240 WeakPolarHBondContact O-CB 3.29Å; D236-Q240 PolarHBondContact O-N 3.21Å |
| 237 | L | 75.2 | Confident | 73.1 | Confident | 110 Ų | 110 | 113.4 Ų | 113.4 | 58% | 0.576 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.3 | -40.3 | 172.8 | -98.8 | 164.3 | 0 | 0 | 0 | 112.7 | L233 K241 | L233-L237 PolarHBondContact O-N 3.33Å; L237-K241 VanDerWaalsContact O-CB 3.29Å; L237-K241 WeakPolarHBondContact O-CB 3.37Å; L237-K241 PolarHBondContact O-N 3.14Å |
| 238 | L | 75.8 | Confident | 71.8 | Confident | 125 Ų | 125 | 116.2 Ų | 116.2 | 65% | 0.654 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.2 | -43.3 | 173.7 | -76.3 | 167.2 | 0 | 0 | 0 | 111.6 | P234 A235 D236 K241 E242 | P234-L238 WeakPolarHBondContact O-CG 3.33Å; P234-L238 PolarHBondContact O-N 3.13Å; A235-L238 PolarHBondContact O-N 2.85Å; D236-L238 VanDerWaalsContact C-N 3.34Å; D236-L238 PolarHBondContact O-N 3.12Å; L238-K241 PolarHBondContact O-N 2.63Å; L238-E242 PolarHBondContact O-N 3.11Å |
| 239 | R | 78.3 | Confident | 70.4 | Confident | 179 Ų | 179 | 122 Ų | 122 | 68% | 0.675 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.5 | -37.9 | 179.7 | -145.3 | -173.9 | 90.1 | 160.6 | 6.9 | 112.5 | A235 D236 E242 L243 | A235-R239 PolarHBondContact O-N 2.8Å; D236-R239 PolarHBondContact O-N 3.1Å; R239-E242 PolarHBondContact O-N 3.19Å; R239-L243 WeakPolarHBondContact O-CB 3.49Å; R239-L243 PolarHBondContact O-N 3.09Å |
| 240 | Q | 77.9 | Confident | 69.2 | Low | 126 Ų | 126 | 127.1 Ų | 127.1 | 59% | 0.589 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.7 | -42.5 | 173.1 | -178.2 | 176.6 | -32.6 | 0 | 0 | 110.9 | D236 E242 L243 E244 | D236-Q240 WeakPolarHBondContact O-CB 3.29Å; D236-Q240 PolarHBondContact O-N 3.21Å; Q240-E242 PolarHBondContact O-N 3.3Å; Q240-L243 PolarHBondContact O-N 2.99Å; Q240-E244 WeakPolarHBondContact O-CB 3.25Å; Q240-E244 PolarHBondContact O-N 3.37Å |
| 241 | K | 79.6 | Confident | 67.8 | Low | 149 Ų | 149 | 127.8 Ų | 127.8 | 65% | 0.648 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.7 | -37.3 | 176.6 | -175.8 | 173.2 | -179.3 | 175.6 | 0 | 112.7 | L237 L238 E244 S245 | L237-K241 VanDerWaalsContact O-CB 3.29Å; L237-K241 WeakPolarHBondContact O-CB 3.37Å; L237-K241 PolarHBondContact O-N 3.14Å; L238-K241 PolarHBondContact O-N 2.63Å; K241-E244 PolarHBondContact O-N 3.02Å; K241-S245 WeakPolarHBondContact O-CB 3.28Å; K241-S245 PolarHBondContact O-N 3.22Å; K241-S245 PolarHBondContact O-OG 3.47Å |
| 242 | E | 76.1 | Confident | 65.9 | Low | 137 Ų | 137 | 126.3 Ų | 126.3 | 64% | 0.64 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -62.3 | -49.5 | 171.9 | -170.3 | -178.8 | -159.7 | 0 | 0 | 110.6 | L238 R239 Q240 E244 S245 A246 | L238-E242 PolarHBondContact O-N 3.11Å; R239-E242 PolarHBondContact O-N 3.19Å; Q240-E242 PolarHBondContact O-N 3.3Å; E242-E244 VanDerWaalsContact C-N 3.26Å; E242-E244 PolarHBondContact O-N 3.47Å; E242-S245 WeakPolarHBondContact CA-OG 3.39Å; E242-S245 PolarHBondContact O-N 3.48Å; E242-S245 VanDerWaalsContact O-N 3.1Å; E242-S245 PolarHBondContact O-OG 2.69Å; E242-A246 PolarHBondContact O-N 3.42Å |
| 243 | L | 70.6 | Confident | 64.6 | Low | 131 Ų | 131 | 127.8 Ų | 127.8 | 69% | 0.686 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -59.5 | -35.4 | 178.5 | -155.5 | 91.5 | 0 | 0 | 0 | 113 | R239 Q240 | R239-L243 WeakPolarHBondContact O-CB 3.49Å; R239-L243 PolarHBondContact O-N 3.09Å; Q240-L243 PolarHBondContact O-N 2.99Å |
| 244 | E | 67.4 | Low | 63 | Low | 131 Ų | 131 | 130.9 Ų | 130.9 | 61% | 0.612 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -70.7 | -43.7 | 174.6 | -167.5 | 175.3 | 112.8 | 0 | 0 | 111.5 | Q240 K241 E242 A246 R247 | Q240-E244 WeakPolarHBondContact O-CB 3.25Å; Q240-E244 PolarHBondContact O-N 3.37Å; K241-E244 PolarHBondContact O-N 3.02Å; E242-E244 VanDerWaalsContact C-N 3.26Å; E242-E244 PolarHBondContact O-N 3.47Å; E244-A246 PolarHBondContact O-N 2.97Å; E244-R247 WeakPolarHBondContact O-CB 3.4Å; E244-R247 PolarHBondContact O-N 3.27Å |
| 245 | S | 64.3 | Low | 60.9 | Low | 95 Ų | 95 | 134.6 Ų | 134.6 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -65.8 | -21.8 | 176.3 | 75.3 | 0 | 0 | 0 | 0 | 114 | K241 E242 R247 | K241-S245 WeakPolarHBondContact O-CB 3.28Å; K241-S245 PolarHBondContact O-N 3.22Å; K241-S245 PolarHBondContact O-OG 3.47Å; E242-S245 WeakPolarHBondContact CA-OG 3.39Å; E242-S245 PolarHBondContact O-N 3.48Å; E242-S245 VanDerWaalsContact O-N 3.1Å; E242-S245 PolarHBondContact O-OG 2.69Å; S245-R247 VanDerWaalsContact C-N 3.28Å; S245-R247 PolarHBondContact O-N 2.86Å |
| 246 | A | 65.6 | Low | 59.3 | Low | 75 Ų | 75 | 136.9 Ų | 136.9 | 62% | 0.62 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -1.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | E242 E244 P248 | E242-A246 PolarHBondContact O-N 3.42Å; E244-A246 PolarHBondContact O-N 2.97Å; A246-P248 WeakPolarHBondContact O-CD 3.4Å |
| 247 | R | 60.6 | Low | 57.4 | Low | 197 Ų | 197 | 140.1 Ų | 140.1 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -86.4 | 114.9 | 177.1 | -59.1 | 179.3 | 78.3 | 168 | 3.9 | 110.1 | E244 S245 | E244-R247 WeakPolarHBondContact O-CB 3.4Å; E244-R247 PolarHBondContact O-N 3.27Å; S245-R247 VanDerWaalsContact C-N 3.28Å; S245-R247 PolarHBondContact O-N 2.86Å |
| 248 | P | 52.9 | Low | 55.5 | Low | 122 Ų | 122 | 145.7 Ų | 145.7 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -63.7 | 143.4 | 177 | -21.4 | 34.4 | 0 | 0 | 0 | 111.7 | A246 L250 | A246-P248 WeakPolarHBondContact O-CD 3.4Å; P248-L250 PolarHBondContact O-N 3.2Å | ||
| 249 | Q | 52.2 | Low | 53.9 | Low | 196 Ų | 196 | 145.2 Ų | 145.2 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | trans | -69.6 | 120.1 | 179.5 | -66.4 | 171.5 | -1.3 | 0 | 0 | 110.8 | ||||
| 250 | L | 46.2 | Very low | 51.7 | Low | 161 Ų | 161 | 143.3 Ų | 143.3 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -131.2 | 151.5 | 160.8 | -78.5 | 176.5 | 0 | 0 | 0 | 108.9 | P248 | P248-L250 PolarHBondContact O-N 3.2Š| ||
| 251 | L | 42.3 | Very low | 49.6 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 94% | 0.942 | 78% | 0.779 | S | S | * | * | trans | 76.3 | 95 | 179.5 | -60.8 | 153.4 | 0 | 0 | 0 | 115.7 | ||||
| 252 | A | 35 | Very low | 47.1 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | -120.8 | 156 | 152.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 253 | P | 45.7 | Very low | 45 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | -97 | 170.6 | -128.4 | -8.8 | 27.8 | 0 | 0 | 0 | 117.2 | |||||
| 254 | E | 37.5 | Very low | 43.5 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -75.1 | 156.6 | -179.2 | -55 | -163.2 | 133.5 | 0 | 0 | 114.7 | ||||
| 255 | T | 30.3 | Very low | 41.9 | Very low | 143 Ų | 143 | 144 Ų | 144 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -125.3 | 137.9 | 159.9 | 45.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 256 | A | 39.4 | Very low | 40.5 | Very low | 100 Ų | 100 | 145.8 Ų | 145.8 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -82.3 | 160.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 257 | L | 32.6 | Very low | 39.2 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -157.4 | 169.8 | 142.5 | -105.5 | 171.2 | 0 | 0 | 0 | 111.3 | ||||
| 258 | R | 35.7 | Very low | 38.1 | Very low | 227 Ų | 227 | 149.9 Ų | 149.9 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | -125.7 | 178.8 | 175.6 | -53.4 | -114.2 | 85.5 | 166 | 7.8 | 107.8 | ||||
| 259 | P | 42.6 | Very low | 37.4 | Very low | 115 Ų | 115 | 154.4 Ų | 154.4 | 75% | 0.747 | 82% | 0.822 | S | S | * | * | cis | -138.1 | 173 | -0.8 | 44.3 | -27.8 | 0 | 0 | 0 | 116.8 | ||||
| 260 | N | 30.5 | Very low | 36.9 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 74% | 0.738 | 82% | 0.822 | S | S | * | * | trans | 69.1 | 144.8 | 144.3 | -138.4 | 46.8 | 0 | 0 | 0 | 124.9 | ||||
| 261 | D | 33.7 | Very low | 36.3 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | 35.8 | 132.8 | 158 | -86.4 | -54.1 | 0 | 0 | 0 | 123 | ||||
| 262 | G | 28.2 | Very low | 36.4 | Very low | 70 Ų | 70 | 145.3 Ų | 145.3 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | trans | 161.3 | 74.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 263 | A | 30.9 | Very low | 36.6 | Very low | 110 Ų | 110 | 148 Ų | 148 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | 59.6 | 170.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 264 | E | 40.7 | Very low | 36.6 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -80.5 | 148.5 | -176.4 | -54.2 | 174.9 | 90.7 | 0 | 0 | 113 | ||||
| 265 | E | 32.4 | Very low | 36.4 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 77% | 0.771 | 81% | 0.809 | S | S | * | * | trans | -160.9 | 153.6 | 136.8 | -172.8 | 48.8 | -158.6 | 0 | 0 | 112.7 | ||||
| 266 | L | 36 | Very low | 36.5 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | trans | -33.3 | 126.3 | -172 | -99.6 | 63.5 | 0 | 0 | 0 | 121.1 | ||||
| 267 | Q | 38.2 | Very low | 36.4 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 73% | 0.729 | 80% | 0.801 | S | S | * | * | 41.7 | 104.6 | 107.5 | -178.8 | 75.8 | -75.8 | 0 | 0 | 118.5 | |||||
| 268 | R | 36.1 | Very low | 36.3 | Very low | 202 Ų | 202 | 144.9 Ų | 144.9 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | -168.7 | 123.9 | 127.5 | -107.7 | 159.8 | -162.2 | -107.2 | -0.8 | 115.9 | |||||
| 269 | R | 38.4 | Very low | 36.1 | Very low | 216 Ų | 216 | 139.7 Ų | 139.7 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | trans | 57.1 | 105.2 | 144.7 | -67 | 177.4 | 174.1 | -175.9 | -4.9 | 119.4 | ||||
| 270 | G | 41.6 | Very low | 35.9 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | 93.7 | 57.9 | 122.6 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 271 | A | 34.6 | Very low | 36.4 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -105.2 | 141.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 272 | L | 44.5 | Very low | 36.5 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -114 | 109.2 | -178.6 | -178.7 | 149.1 | 0 | 0 | 0 | 109.5 | ||||
| 273 | L | 39.8 | Very low | 36.7 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -142.2 | 130.3 | 172.5 | -64.7 | 174.1 | 0 | 0 | 0 | 106.5 | ||||
| 274 | V | 44.1 | Very low | 36.6 | Very low | 116 Ų | 116 | 143 Ų | 143 | 70% | 0.703 | 81% | 0.809 | S | S | * | * | 68.1 | 81.9 | 56.2 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 275 | L | 34.9 | Very low | 36.3 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -126.2 | 124.3 | 154.5 | -67.2 | 170.4 | 0 | 0 | 0 | 104.9 | ||||
| 276 | N | 31 | Very low | 36.7 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 70% | 0.695 | 81% | 0.808 | S | S | * | * | cis | 75.3 | 144.5 | 35 | -144.2 | -23.4 | 0 | 0 | 0 | 112.8 | ||||
| 277 | H | 38.8 | Very low | 37.1 | Very low | 182 Ų | 182 | 138.4 Ų | 138.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -93.6 | 154.8 | -140.9 | -44.9 | -83.7 | 0 | 0 | 0 | 115.6 | ||||
| 278 | G | 30.4 | Very low | 36.9 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | 153.3 | 135.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 279 | A | 31.4 | Very low | 36.6 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 97% | 0.967 | 81% | 0.813 | S | S | * | * | trans | 65.7 | 167.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 280 | A | 37.2 | Very low | 37.1 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | trans | -128.9 | 161.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 281 | P | 41.9 | Very low | 37.8 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -88.8 | 142.6 | 170.3 | 34.3 | -32.1 | 0 | 0 | 0 | 112.6 | ||||
| 282 | L | 35.9 | Very low | 37.6 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -106.6 | 127.9 | 169.7 | -72.1 | 172.1 | 0 | 0 | 0 | 110.7 | ||||
| 283 | L | 32.5 | Very low | 37 | Very low | 175 Ų | 175 | 128.6 Ų | 128.6 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -156.9 | 152.1 | 161.1 | -65.9 | 177.8 | 0 | 0 | 0 | 107.7 | ||||
| 284 | A | 29 | Very low | 36.5 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | cis | -168 | 143.5 | -32.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 285 | L | 34.7 | Very low | 36.7 | Very low | 168 Ų | 168 | 125.2 Ų | 125.2 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | trans | -99.2 | 151.9 | 175.7 | -75.8 | 171.1 | 0 | 0 | 0 | 111.4 | ||||
| 286 | P | 39.2 | Very low | 37.4 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | -147.5 | -159.3 | 107.7 | 40.8 | -21.3 | 0 | 0 | 0 | 113.1 | |||||
| 287 | P | 45.6 | Very low | 37.7 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | -136.4 | 158.1 | -85.5 | 42.4 | -25.3 | 0 | 0 | 0 | 118.5 | |||||
| 288 | Q | 32.5 | Very low | 38.3 | Very low | 187 Ų | 187 | 118.7 Ų | 118.7 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | 57.6 | 105.2 | 140.4 | -63.8 | -75.8 | 17.3 | 0 | 0 | 124.6 | ||||
| 289 | G | 30.3 | Very low | 38.2 | Very low | 69 Ų | 69 | 120.7 Ų | 120.7 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 63.4 | -174.8 | 133.2 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 290 | P | 48.5 | Very low | 38.2 | Very low | 128 Ų | 128 | 125.2 Ų | 125.2 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | cis | -128.6 | -131.5 | -7.5 | 35.6 | -11 | 0 | 0 | 0 | 114.3 | ||||
| 291 | P | 56.4 | Low | 37.9 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -136.6 | 176.8 | -119.3 | 43.2 | -22.6 | 0 | 0 | 0 | 120.1 | |||||
| 292 | G | 30.1 | Very low | 37.4 | Very low | 77 Ų | 77 | 125.2 Ų | 125.2 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | 111 | 155.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 293 | S | 33.8 | Very low | 37.1 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | cis | -166.7 | 160.4 | -8.4 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 294 | G | 29.3 | Very low | 37.1 | Very low | 73 Ų | 73 | 123.5 Ų | 123.5 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | 112.5 | 124.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 295 | P | 48.4 | Very low | 37.2 | Very low | 123 Ų | 123 | 130 Ų | 130 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -108.3 | -160.3 | 167.5 | 44.8 | -35.6 | 0 | 0 | 0 | 110.7 | ||||
| 296 | P | 48.3 | Very low | 37 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | cis | -147.1 | 143.5 | 2.3 | 40.4 | -17.9 | 0 | 0 | 0 | 119.9 | ||||
| 297 | T | 38.5 | Very low | 37.7 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 67.2 | -167.8 | 138 | 68.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 298 | P | 50.2 | Low | 37.2 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | -140.2 | 174 | -96.2 | 44.7 | -25.8 | 0 | 0 | 0 | 118.5 | |||||
| 299 | S | 29.3 | Very low | 37.2 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -146.1 | 142.2 | 146.7 | 59.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 300 | R | 30.8 | Very low | 37.1 | Very low | 211 Ų | 211 | 134.1 Ų | 134.1 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | cis | 82.2 | 88.6 | 9.3 | -157.5 | -175.8 | -161.9 | -104.7 | 8.5 | 117.3 | ||||
| 301 | D | 29.6 | Very low | 36.1 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | -153.3 | 134.7 | 110 | -101.5 | -35.5 | 0 | 0 | 0 | 109.7 | |||||
| 302 | S | 31.9 | Very low | 35.7 | Very low | 84 Ų | 84 | 132 Ų | 132 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | 68 | 104.2 | 80.6 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 303 | A | 30.6 | Very low | 35.7 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | 68.5 | 143.1 | 74.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 304 | R | 32.3 | Very low | 36.7 | Very low | 221 Ų | 221 | 131.7 Ų | 131.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | cis | -158.6 | 163.6 | 12.5 | -156 | 178.2 | -66.2 | -114.3 | -0.9 | 112 | ||||
| 305 | R | 30.6 | Very low | 36.8 | Very low | 228 Ų | 228 | 132.4 Ų | 132.4 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -22.9 | 132.8 | 167.4 | -51.8 | 171.3 | -173 | -164.4 | -0.1 | 118.8 | ||||
| 306 | A | 31.5 | Very low | 36 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 54.2 | 170.4 | 118 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 307 | P | 54 | Low | 35.1 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | cis | -140.2 | -178.4 | -39.7 | 33.2 | -12.5 | 0 | 0 | 0 | 115.9 | ||||
| 308 | R | 33.3 | Very low | 34.8 | Very low | 238 Ų | 238 | 134.9 Ų | 134.9 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | 95.6 | 134 | 150.6 | -65.4 | -174.9 | 170 | -134.8 | -6.2 | 122.9 | ||||
| 309 | K | 33.3 | Very low | 34.5 | Very low | 217 Ų | 217 | 134.9 Ų | 134.9 | 94% | 0.943 | 78% | 0.781 | S | S | * | * | trans | 93.4 | 118.6 | 136.1 | -152.6 | -179.9 | -173.9 | -170.9 | 0 | 120.2 | ||||
| 310 | G | 27.5 | Very low | 34.7 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 163.5 | 125.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 311 | G | 27.8 | Very low | 34.7 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | -141.2 | -164.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 312 | P | 48.2 | Very low | 34.9 | Very low | 135 Ų | 135 | 129.1 Ų | 129.1 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | cis | -104.3 | -171.9 | 5.2 | 41.3 | -32.3 | 0 | 0 | 0 | 112.3 | ||||
| 313 | G | 29.6 | Very low | 34.9 | Very low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | cis | 107.4 | 162.7 | 17.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 314 | P | 55.7 | Low | 34.8 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | cis | -94.2 | -137 | 3.2 | 30.8 | -13.9 | 0 | 0 | 0 | 111.4 | ||||
| 315 | A | 30.5 | Very low | 34.6 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -153.7 | 166.4 | 5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 316 | S | 32.8 | Very low | 34.4 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | cis | 113.4 | 121.4 | 31.7 | -170.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 317 | A | 29.2 | Very low | 34.1 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | cis | -147.1 | 166.1 | -3.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 318 | R | 31.4 | Very low | 32.9 | Very low | 200 Ų | 200 | 128.2 Ų | 128.2 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | cis | 65 | 150.3 | 38.8 | -85.5 | -170 | 167.4 | -117.3 | -15.5 | 114.6 | E321 | R318-E321 IonicContact NH2-OE2 2.67Š| ||
| 319 | P | 44.7 | Very low | 32.6 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | cis | -104.9 | 170.2 | 9.9 | 9.7 | 15.1 | 0 | 0 | 0 | 113.9 | ||||
| 320 | S | 33.1 | Very low | 32.3 | Very low | 71 Ų | 71 | 123.3 Ų | 123.3 | 50% | 0.497 | 76% | 0.76 | S | S | . | * | cis | 93 | 111 | 30.5 | 95.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 321 | E | 31.4 | Very low | 32.5 | Very low | 157 Ų | 157 | 130.6 Ų | 130.6 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | 70.7 | 142.5 | 89 | -68.4 | 172.2 | 110.1 | 0 | 0 | 113.4 | R318 | R318-E321 IonicContact NH2-OE2 2.67Š| |||
| 322 | S | 33.8 | Very low | 32.7 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | cis | -170.3 | -178 | 15.6 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 323 | K | 31.3 | Very low | 31.8 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | 144 | 164.6 | 124.2 | -162.5 | 158.9 | -178.2 | -178.4 | 0 | 115.2 | |||||
| 324 | E | 28.2 | Very low | 31.7 | Very low | 152 Ų | 152 | 138 Ų | 138 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | trans | -136.9 | 157.5 | -156 | -161.1 | -157.9 | 102.2 | 0 | 0 | 112.6 | ||||
| 325 | M | 28.8 | Very low | 30.6 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | trans | 58.7 | 125.5 | 153.4 | -149.7 | 67.8 | 71.4 | 0 | 0 | 121.7 | ||||
| 326 | T | 26.3 | Very low | 30.7 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | 149.7 | 134.4 | 116.1 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 327 | G | 26.1 | Very low | 31.2 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | trans | 96.5 | 105.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 328 | A | 27.9 | Very low | 31.5 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | cis | 99 | 142 | 31.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 329 | R | 26.7 | Very low | 31.8 | Very low | 227 Ų | 227 | 142 Ų | 142 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | trans | 90.1 | 122.4 | 175.4 | -65.2 | -167.4 | 98.7 | 171.4 | 3.6 | 119.5 | ||||
| 330 | L | 27.6 | Very low | 32.8 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | trans | 100.1 | 114.7 | 133.4 | -104.8 | 62.1 | 0 | 0 | 0 | 120.9 | ||||
| 331 | W | 30.6 | Very low | 34.1 | Very low | 233 Ų | 233 | 142.7 Ų | 142.7 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | 0.9 | 119.8 | 133.3 | -49.8 | 86.3 | 0 | 0 | 0 | 115.4 | ||||
| 332 | A | 31.9 | Very low | 34.3 | Very low | 82 Ų | 82 | 144.2 Ų | 144.2 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | 87.7 | 155.4 | 58.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 333 | Q | 31 | Very low | 34.5 | Very low | 193 Ų | 193 | 145 Ų | 145 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | 76.8 | 155.5 | -172.5 | -58.5 | -163.7 | 136.6 | 0 | 0 | 116.2 | ||||
| 334 | D | 27.7 | Very low | 35.5 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | cis | -170.9 | 156.5 | -27.9 | -177.5 | -128.9 | 0 | 0 | 0 | 109.2 | ||||
| 335 | G | 30.9 | Very low | 36 | Very low | 64 Ų | 64 | 141.5 Ų | 141.5 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | 67.1 | 173.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 336 | S | 33.4 | Very low | 36.4 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | cis | -151.8 | 157.5 | -11.8 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 337 | E | 42.3 | Very low | 36.7 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -83.5 | 147.6 | 172.6 | -55.9 | 166.1 | 131.5 | 0 | 0 | 110.9 | ||||
| 338 | D | 35.9 | Very low | 37.2 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -173.8 | 173.8 | 130.7 | -142.6 | -77.2 | 0 | 0 | 0 | 110.6 | ||||
| 339 | E | 37.7 | Very low | 38.5 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | trans | -124.9 | -133.6 | -162.6 | -131.7 | -144.5 | 146.9 | 0 | 0 | 115.5 | ||||
| 340 | P | 67.3 | Low | 38.7 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 57% | 0.571 | 79% | 0.785 | S | S | * | * | -121.5 | -153.2 | -101.3 | 41.1 | -22.9 | 0 | 0 | 0 | 113.9 | |||||
| 341 | P | 58.8 | Low | 39.1 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | -153.9 | 169.7 | 62.9 | 42 | -19.9 | 0 | 0 | 0 | 119.4 | |||||
| 342 | K | 37.2 | Very low | 39.1 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | 113.5 | 150.3 | 126 | -131.9 | 167.4 | -176.2 | -176.6 | 0 | 122.4 | |||||
| 343 | D | 37.6 | Very low | 39 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | trans | -85.6 | 164.7 | -164 | -29.3 | -97.6 | 0 | 0 | 0 | 116.6 | ||||
| 344 | S | 50.8 | Low | 39 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | -170.9 | 156 | 129.9 | -92.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 345 | D | 39.2 | Very low | 39 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | trans | -101.5 | 171.7 | -165.3 | -46.4 | -102.2 | 0 | 0 | 0 | 115.1 | ||||
| 346 | G | 36.5 | Very low | 38.9 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | 105.7 | 112.8 | 112.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 347 | E | 33.4 | Very low | 38.7 | Very low | 209 Ų | 209 | 140 Ų | 140 | 98% | 0.977 | 80% | 0.8 | S | S | * | * | trans | 79.7 | 157.6 | 134.3 | -54.5 | -167.7 | 106.6 | 0 | 0 | 122.5 | ||||
| 348 | D | 37.2 | Very low | 37.8 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -116.2 | 159.4 | -176.9 | -179 | -97 | 0 | 0 | 0 | 109 | ||||
| 349 | P | 54.7 | Low | 38.3 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | -150.5 | 155.1 | 125.5 | 35 | -17.4 | 0 | 0 | 0 | 117.8 | |||||
| 350 | E | 31.8 | Very low | 38.1 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 77% | 0.771 | 79% | 0.786 | S | S | * | * | trans | -79.8 | 157.6 | 171.7 | -165 | -163.3 | 114.8 | 0 | 0 | 114.2 | ||||
| 351 | T | 34.3 | Very low | 37.1 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | 136.2 | 132.9 | 134.5 | 60.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 352 | A | 31.8 | Very low | 35.5 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | 72.7 | 96.6 | 137.3 | 0 | 0 | 0 | 0 | 0 | 126 | ||||
| 353 | A | 30.4 | Very low | 35.2 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | 82.5 | 159.7 | 114.3 | 0 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 354 | V | 30.3 | Very low | 35 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | trans | 76.7 | 133.1 | 176.6 | -169.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 355 | G | 28.3 | Very low | 35.2 | Very low | 65 Ų | 65 | 129.5 Ų | 129.5 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | cis | 173.1 | 143 | -11.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 356 | C | 28.9 | Very low | 35.1 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 91% | 0.912 | 81% | 0.805 | S | S | * | * | trans | 63 | 109.4 | 152.1 | -62.3 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 357 | R | 27.5 | Very low | 34.7 | Very low | 253 Ų | 253 | 127.2 Ų | 127.2 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | -162.9 | 149.3 | 122.2 | -126.5 | 179.2 | -170.9 | -102.3 | 2.9 | 113.1 | |||||
| 358 | G | 23.5 | Very low | 34.6 | Very low | 60 Ų | 60 | 121 Ų | 121 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | trans | -113.9 | -167.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 359 | P | 46.4 | Very low | 34.4 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | cis | -135.1 | -167.9 | 29.2 | 42.4 | -23.9 | 0 | 0 | 0 | 117.2 | ||||
| 360 | T | 33.8 | Very low | 33.1 | Very low | 130 Ų | 130 | 117.2 Ų | 117.2 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | -75.4 | 179 | -178 | 31.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 361 | P | 46.1 | Very low | 33.4 | Very low | 131 Ų | 131 | 113.6 Ų | 113.6 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | cis | -130.4 | 176.4 | 15.1 | 42 | -24.8 | 0 | 0 | 0 | 116.9 | ||||
| 362 | G | 26.4 | Very low | 33.2 | Very low | 68 Ų | 68 | 116 Ų | 116 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | 166.2 | -164.2 | -7.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 363 | Q | 31.1 | Very low | 33.2 | Very low | 204 Ų | 204 | 114.5 Ų | 114.5 | 95% | 0.953 | 80% | 0.804 | S | S | * | * | trans | 78.3 | 124.9 | 172.3 | -151.6 | 159 | 33.8 | 0 | 0 | 119.6 | ||||
| 364 | A | 33.7 | Very low | 33.6 | Very low | 89 Ų | 89 | 118.4 Ų | 118.4 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -153.7 | -157.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 365 | P | 54.6 | Low | 33.4 | Very low | 127 Ų | 127 | 114.6 Ų | 114.6 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | cis | -109.3 | -156.4 | -2.8 | 45.2 | -32.8 | 0 | 0 | 0 | 110.9 | ||||
| 366 | A | 36.9 | Very low | 33.5 | Very low | 101 Ų | 101 | 120 Ų | 120 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | cis | -150.8 | -170.7 | 0.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 367 | G | 28.7 | Very low | 33.9 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | cis | 165.7 | 145.9 | -6.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 368 | G | 29.4 | Very low | 34.4 | Very low | 80 Ų | 80 | 117.5 Ų | 117.5 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | cis | 99.2 | 136.3 | 9.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 369 | A | 33.1 | Very low | 34.6 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | cis | -170.6 | 164.7 | -15.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 370 | G | 28.8 | Very low | 33.9 | Very low | 80 Ų | 80 | 117.5 Ų | 117.5 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 81.7 | 173.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 371 | A | 38 | Very low | 33.8 | Very low | 89 Ų | 89 | 118.1 Ų | 118.1 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | cis | -168.9 | 159.9 | -14.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 372 | E | 30.1 | Very low | 33.5 | Very low | 168 Ų | 168 | 119.8 Ų | 119.8 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | 60 | 156.9 | 160.5 | -68 | -176.6 | 65.9 | 0 | 0 | 121 | K374 | E372-K374 IonicContact OE1-NZ 3.18Å; E372-K374 PolarHBondContact OE1-NZ 2.82Å | ||
| 373 | G | 32 | Very low | 34.1 | Very low | 61 Ų | 61 | 121.8 Ų | 121.8 | 63% | 0.629 | 81% | 0.813 | S | S | * | * | cis | 160.4 | 178.7 | -10.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 374 | K | 37.8 | Very low | 34.5 | Very low | 178 Ų | 178 | 119.8 Ų | 119.8 | 77% | 0.774 | 81% | 0.808 | S | S | * | * | trans | 63.1 | 119.7 | 155.8 | 48 | -176.1 | 171 | -65.9 | 0 | 122.9 | E372 | E372-K374 IonicContact OE1-NZ 3.18Å; E372-K374 PolarHBondContact OE1-NZ 2.82Å | ||
| 375 | G | 27 | Very low | 34.4 | Very low | 75 Ų | 75 | 119 Ų | 119 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 152.6 | 108.5 | 146.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 376 | L | 30.1 | Very low | 33.4 | Very low | 180 Ų | 180 | 122.2 Ų | 122.2 | 94% | 0.942 | 81% | 0.81 | S | S | * | * | trans | 75.5 | 149.9 | 145.8 | -54.8 | 176.7 | 0 | 0 | 0 | 124.4 | ||||
| 377 | F | 36.5 | Very low | 33.6 | Very low | 205 Ų | 205 | 123.4 Ų | 123.4 | 90% | 0.899 | 81% | 0.809 | S | S | * | * | trans | -125.9 | -177.1 | 168.7 | -69.2 | -80.6 | 0 | 0 | 0 | 108.3 | ||||
| 378 | P | 38.3 | Very low | 33.9 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | cis | -133.5 | -171.7 | -0.5 | 44 | -26.8 | 0 | 0 | 0 | 114.9 | ||||
| 379 | G | 28.1 | Very low | 34.6 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 158.6 | 128.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 380 | S | 31.8 | Very low | 34.9 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -77.4 | 148.5 | -173.5 | -47.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 381 | T | 30.7 | Very low | 35.1 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 87% | 0.871 | 79% | 0.794 | S | S | * | * | 176.1 | 153 | 113.1 | 29.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 382 | L | 40.1 | Very low | 35.4 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | -109.8 | 151.9 | 170.4 | -71.6 | 175.1 | 0 | 0 | 0 | 108.1 | ||||
| 383 | P | 39.7 | Very low | 36.1 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | -155.7 | 166.7 | 71.8 | 41.8 | -21.2 | 0 | 0 | 0 | 119.5 | |||||
| 384 | L | 40.2 | Very low | 36.1 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | 53.1 | 115.3 | 146.4 | -68.9 | 164.1 | 0 | 0 | 0 | 121.1 | ||||
| 385 | G | 30.5 | Very low | 36.1 | Very low | 73 Ų | 73 | 141.2 Ų | 141.2 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -176.3 | 113.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 386 | F | 34.3 | Very low | 36.6 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 135.8 | -179.8 | -74.8 | -98.5 | 0 | 0 | 0 | 112.5 | ||
| 387 | P | 39.4 | Very low | 36.9 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81 | 123.6 | 151.5 | 32.2 | -28.7 | 0 | 0 | 0 | 109.5 | ||
| 388 | Y | 36.3 | Very low | 37.1 | Very low | 225 Ų | 225 | 134.7 Ų | 134.7 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 129 | -177.9 | -164.6 | -94.7 | 0 | 0 | 0 | 111.7 | ||
| 389 | A | 43 | Very low | 37.6 | Very low | 72 Ų | 72 | 136 Ų | 136 | 60% | 0.595 | 81% | 0.809 | S | S | * | * | trans | 38 | 104.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | S391 | A389-S391 PolarHBondContact O-N 3.3Å; A389-S391 VanDerWaalsContact O-N 3.14Å | ||
| 390 | V | 39.6 | Very low | 37.8 | Very low | 149 Ų | 149 | 136 Ų | 136 | 90% | 0.903 | 81% | 0.81 | S | S | * | * | trans | -65.5 | 108.5 | 150.4 | 175.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 391 | S | 32.8 | Very low | 37.8 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 59% | 0.587 | 81% | 0.805 | S | S | * | * | trans | -79.2 | 126.3 | 172.7 | -175 | 0 | 0 | 0 | 0 | 109.9 | A389 Y393 | A389-S391 PolarHBondContact O-N 3.3Å; A389-S391 VanDerWaalsContact O-N 3.14Å; S391-Y393 PolarHBondContact O-N 3.06Å; S391-Y393 VanDerWaalsContact O-N 3.1Å | ||
| 392 | P | 45.3 | Very low | 38.5 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -83.4 | 25.4 | -174.7 | 35.4 | -37.4 | 0 | 0 | 0 | 113.8 | ||
| 393 | Y | 44.2 | Very low | 38.4 | Very low | 175 Ų | 175 | 132 Ų | 132 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | trans | -126.2 | 143.4 | 179.8 | -71.5 | -86.1 | 0 | 0 | 0 | 110.7 | S391 | S391-Y393 PolarHBondContact O-N 3.06Å; S391-Y393 VanDerWaalsContact O-N 3.1Å | ||
| 394 | F | 31.7 | Very low | 38.5 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | 77.1 | 81 | -177.9 | -47.6 | -68.8 | 0 | 0 | 0 | 116.7 | ||||
| 395 | H | 38.6 | Very low | 38.3 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -107.5 | 100.5 | 146.8 | -72.5 | -44.8 | 0 | 0 | 0 | 109.2 | ||||
| 396 | T | 38 | Very low | 39.1 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -137.8 | 99.5 | 173.7 | -47.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 397 | G | 36.4 | Very low | 39.6 | Very low | 84 Ų | 84 | 134 Ų | 134 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | 171.2 | 46.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 398 | A | 40.6 | Very low | 39.7 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -140.7 | 109.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 399 | V | 48 | Very low | 39.8 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | trans | -98.8 | 118.7 | 172.4 | -73.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 400 | G | 32.9 | Very low | 39.6 | Very low | 80 Ų | 80 | 129.8 Ų | 129.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | 175.4 | 68.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 401 | G | 32.4 | Very low | 40 | Very low | 68 Ų | 68 | 125.9 Ų | 125.9 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 85.2 | 106.6 | 138.3 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 402 | L | 44.1 | Very low | 41.2 | Very low | 169 Ų | 169 | 126.9 Ų | 126.9 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | trans | 76.2 | 135.4 | 139.8 | -50.2 | -179.6 | 0 | 0 | 0 | 120.1 | ||||
| 403 | S | 38.2 | Very low | 42.2 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 46.2 | 94.6 | 162.1 | 58.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 404 | M | 42.2 | Very low | 44.1 | Very low | 184 Ų | 184 | 122 Ų | 122 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | -109.7 | 147.4 | 120.8 | -83.8 | -73.6 | 97.5 | 0 | 0 | 108.8 | |||||
| 405 | D | 36.5 | Very low | 46.8 | Very low | 153 Ų | 153 | 113.2 Ų | 113.2 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -73 | 172.2 | 175.8 | -169.7 | -152 | 0 | 0 | 0 | 110.8 | E407 | D405-E407 PolarHBondContact O-N 2.81Š| ||
| 406 | G | 46.9 | Very low | 49.3 | Very low | 76 Ų | 76 | 107.1 Ų | 107.1 | 78% | 0.784 | 70% | 0.695 | S | S | * | * | trans | -71.8 | 52.8 | -180 | 0 | 0 | 0 | 0 | 0 | 114.9 | E408 | G406-E408 PolarHBondContact O-N 3.4Š| ||
| 407 | E | 45.1 | Very low | 51.9 | Low | 167 Ų | 167 | 107.8 Ų | 107.8 | 78% | 0.78 | 69% | 0.686 | S | S | * | * | trans | -79.5 | 114.1 | 170 | -139.4 | -111.3 | 120.2 | 0 | 0 | 109 | D405 A409 | D405-E407 PolarHBondContact O-N 2.81Å; E407-A409 PolarHBondContact O-N 3.35Å; E407-A409 VanDerWaalsContact O-N 3.13Å | ||
| 408 | E | 39.9 | Very low | 54.8 | Low | 152 Ų | 152 | 104.8 Ų | 104.8 | 71% | 0.71 | 65% | 0.649 | S | S | * | * | trans | -65.7 | 110.2 | -180 | 179.2 | 165.6 | 95.6 | 0 | 0 | 109.3 | G406 P410 | G406-E408 PolarHBondContact O-N 3.4Å; E408-P410 WeakPolarHBondContact O-CA 3.32Å | ||
| 409 | A | 39.6 | Very low | 57.5 | Low | 88 Ų | 88 | 103.5 Ų | 103.5 | 73% | 0.727 | 63% | 0.631 | S | S | * | * | trans | -48.5 | 115.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | E407 A411 | E407-A409 PolarHBondContact O-N 3.35Å; E407-A409 VanDerWaalsContact O-N 3.13Å; A409-A411 PolarHBondContact O-N 3.12Å; A409-A411 VanDerWaalsContact O-N 3.12Å | ||
| 410 | P | 37.8 | Very low | 59.8 | Low | 95 Ų | 95 | 97.7 Ų | 97.7 | 62% | 0.617 | 60% | 0.596 | S | S | * | * | trans | -56.4 | 119.3 | -147.5 | 12.2 | -29.2 | 0 | 0 | 0 | 111.1 | E408 | E408-P410 WeakPolarHBondContact O-CA 3.32Š| ||
| 411 | A | 49.4 | Very low | 62.9 | Low | 66 Ų | 66 | 98.1 Ų | 98.1 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | trans | -46.4 | 126.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | A409 E413 | A409-A411 PolarHBondContact O-N 3.12Å; A409-A411 VanDerWaalsContact O-N 3.12Å; A411-E413 PolarHBondContact O-N 3.47Å | ||
| 412 | P | 58 | Low | 66 | Low | 105 Ų | 105 | 98.3 Ų | 98.3 | 68% | 0.682 | 56% | 0.564 | S | S | * | * | trans | -55.2 | 107.1 | -155.5 | 20.7 | -34 | 0 | 0 | 0 | 110 | D414 | P412-D414 PolarHBondContact O-N 3.44Å; P412-D414 VanDerWaalsContact O-N 3.11Å | ||
| 413 | E | 65.8 | Low | 68.5 | Low | 100 Ų | 100 | 90.3 Ų | 90.3 | 47% | 0.467 | 52% | 0.522 | S | S | . | . | trans | -47 | 120.9 | -168.9 | -68.3 | 171.9 | -179.9 | 0 | 0 | 110 | A411 V415 W418 | A411-E413 PolarHBondContact O-N 3.47Å; E413-V415 PolarHBondContact O-N 3.44Å; E413-W418 PolarHBondContact OE2-NE1 3.18Å | ||
| 414 | D | 84.1 | Confident | 71.3 | Confident | 90 Ų | 90 | 85.9 Ų | 85.9 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | trans | -57 | 103.3 | 178.8 | -69.8 | -61.4 | 0 | 0 | 0 | 108 | P412 T416 K417 | P412-D414 PolarHBondContact O-N 3.44Å; P412-D414 VanDerWaalsContact O-N 3.11Å; D414-T416 PolarHBondContact O-N 2.66Å; D414-K417 HydrophobicContact CB-CD 3.89Å; D414-K417 HydrophobicContact CB-CG 4.01Å; D414-K417 WeakPolarHBondContact O-CB 3.44Å; D414-K417 PolarHBondContact O-N 2.73Å; D414-K417 WeakPolarHBondContact OD2-CE 3.31Å; D414-K417 IonicContact OD2-NZ 2.77Å; D414-K417 PolarHBondContact OD2-NZ 3.04Å | ||
| 415 | V | 89.3 | Confident | 73.9 | Confident | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.024 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -54.8 | -29.7 | -172.4 | 176.4 | 0 | 0 | 0 | 0 | 111 | E413 K417 W418 G447 L450 P451 R479 L480 | E413-V415 PolarHBondContact O-N 3.44Å; V415-K417 PolarHBondContact O-N 3.06Å; V415-K417 VanDerWaalsContact O-N 3.15Å; V415-W418 HydrophobicContact CG1-CD2 4.31Å; V415-W418 HydrophobicContact CG1-CE3 3.84Å; V415-W418 HydrophobicContact CG1-CZ3 4.19Å; V415-W418 WeakPolarHBondContact O-CB 3.36Å; V415-W418 PolarHBondContact O-N 2.86Å; V415-W418 VanDerWaalsContact O-N 3.14Å; V415-G447 CarbonylContact C-O 3.56Å; V415-G447 CarbonylContact O-C 3.59Å; V415-G447 WeakPolarHBondContact O-CA 3.46Å; V415-L450 HydrophobicContact CG1-CD2 4.14Å; V415-P451 HydrophobicContact CG1-CG 4.19Å; V415-R479 HydrophobicContact CG2-CB 3.68Å; V415-L480 HydrophobicContact CB-CD2 3.86Å; V415-L480 HydrophobicContact CG1-CD2 4.48Å; V415-L480 HydrophobicContact CG2-CD2 4.07Å; V415-L480 HydrophobicContact CG2-CG 4.34Å |
| 416 | T | 90.5 | Very high | 76.7 | Confident | 72 Ų | 72 | 75.1 Ų | 75.1 | 44% | 0.442 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -62.7 | -13.1 | 174.8 | 57 | 0 | 0 | 0 | 0 | 115.1 | D414 G447 E448 | D414-T416 PolarHBondContact O-N 2.66Å; T416-G447 WeakPolarHBondContact CA-O 3.23Å; T416-E448 WeakPolarHBondContact O-CG 3.01Å |
| 417 | K | 93.3 | Very high | 79.1 | Confident | 152 Ų | 152 | 71.5 Ų | 71.5 | 66% | 0.661 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -94 | -9.6 | 176.5 | -62.4 | 176.7 | -176.1 | 157.2 | 0 | 113.4 | D414 V415 | D414-K417 HydrophobicContact CB-CD 3.89Å; D414-K417 HydrophobicContact CB-CG 4.01Å; D414-K417 WeakPolarHBondContact O-CB 3.44Å; D414-K417 PolarHBondContact O-N 2.73Å; D414-K417 WeakPolarHBondContact OD2-CE 3.31Å; D414-K417 IonicContact OD2-NZ 2.77Å; D414-K417 PolarHBondContact OD2-NZ 3.04Å; V415-K417 PolarHBondContact O-N 3.06Å; V415-K417 VanDerWaalsContact O-N 3.15Å |
| 418 | W | 95.9 | Very high | 81.5 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 8% | 0.08 | 39% | 0.387 | C | S | . | . | trans | -67.9 | 136.1 | -177.6 | -73.8 | -8.4 | 0 | 0 | 0 | 112 | E413 V415 D422 V423 F426 G447 L450 | E413-W418 PolarHBondContact OE2-NE1 3.18Å; V415-W418 HydrophobicContact CG1-CD2 4.31Å; V415-W418 HydrophobicContact CG1-CE3 3.84Å; V415-W418 HydrophobicContact CG1-CZ3 4.19Å; V415-W418 WeakPolarHBondContact O-CB 3.36Å; V415-W418 PolarHBondContact O-N 2.86Å; V415-W418 VanDerWaalsContact O-N 3.14Å; W418-D422 HydrophobicContact CB-CB 3.9Å; W418-D422 HydrophobicContact CG-CB 4.04Å; W418-V423 HydrophobicContact CB-CG2 4.19Å; W418-V423 HydrophobicContact CE3-CG2 4.23Å; W418-F426 HydrophobicContact CH2-CB 3.89Å; W418-F426 HydrophobicContact CH2-CD1 4.12Å; W418-F426 AromaticContact CH2-CD2 3.72Å; W418-F426 HydrophobicContact CH2-CD2 3.72Å; W418-F426 HydrophobicContact CH2-CE2 4.26Å; W418-F426 AromaticContact CH2-CG 3.63Å; W418-F426 HydrophobicContact CH2-CG 3.63Å; W418-F426 HydrophobicContact CZ3-CB 3.83Å; W418-F426 AromaticContact CZ3-CD1 3.62Å; W418-F426 HydrophobicContact CZ3-CD1 3.62Å; W418-F426 HydrophobicContact CZ3-CD2 4.1Å; W418-F426 HydrophobicContact CZ3-CE1 4.16Å; W418-F426 AromaticContact CZ3-CG 3.57Å; W418-F426 HydrophobicContact CZ3-CG 3.57Å; W418-G447 WeakPolarHBondContact O-CA 3.48Å; W418-G447 PolarHBondContact O-N 3.14Å; W418-L450 HydrophobicContact CE3-CD2 3.88Å; W418-L450 HydrophobicContact CZ3-CD2 3.85Å | ||
| 419 | T | 96.8 | Very high | 84.1 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | trans | -79.3 | 170.1 | 169.9 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | D421 D422 V423 | T419-D421 PolarHBondContact O-N 3.44Å; T419-D421 PolarHBondContact OG1-N 3.23Å; T419-D422 VanDerWaalsContact CB-OD2 3.31Å; T419-D422 WeakPolarHBondContact CB-OD2 3.33Å; T419-D422 WeakPolarHBondContact CG2-OD2 3.31Å; T419-D422 PolarHBondContact N-OD2 3.01Å; T419-D422 PolarHBondContact O-N 3.44Å; T419-D422 VanDerWaalsContact O-N 3.11Å; T419-D422 VanDerWaalsContact OG1-CG 3.28Å; T419-D422 PolarHBondContact OG1-N 3.15Å; T419-D422 PolarHBondContact OG1-OD2 3.06Å; T419-V423 WeakPolarHBondContact O-CG2 3.21Å; T419-V423 PolarHBondContact O-N 3.33Å | ||
| 420 | V | 97.6 | Very high | 86.8 | Confident | 36 Ų | 36 | 58.4 Ų | 58.4 | 22% | 0.218 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.8 | -34.3 | 173.2 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | C424 I445 D446 | V420-C424 WeakPolarHBondContact O-CB 3.36Å; V420-C424 PolarHBondContact O-N 3.35Å; V420-C424 PolarHBondContact O-SG 3.42Å; V420-I445 WeakPolarHBondContact CA-O 3.36Å; V420-D446 HydrophobicContact CG2-CB 4.16Å |
| 421 | D | 97.9 | Very high | 89.5 | Confident | 88 Ų | 88 | 58.2 Ų | 58.2 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.4 | -39.5 | 176.3 | -83.3 | -82.8 | 0 | 0 | 0 | 112.6 | T419 C424 S425 R441 | T419-D421 PolarHBondContact O-N 3.44Å; T419-D421 PolarHBondContact OG1-N 3.23Å; D421-C424 PolarHBondContact O-N 2.92Å; D421-S425 WeakPolarHBondContact O-CB 3.32Å; D421-S425 PolarHBondContact O-N 3.49Å; D421-R441 VanDerWaalsContact CG-NH1 3.26Å; D421-R441 IonicContact OD1-CZ 2.63Å; D421-R441 IonicContact OD1-NH1 2.66Å; D421-R441 PolarHBondContact OD1-NH1 3.23Å; D421-R441 IonicContact OD1-NH2 2.62Å; D421-R441 PolarHBondContact OD1-NH2 2.98Å; D421-R441 IonicContact OD2-NH1 3.65Å; D421-R441 PolarHBondContact OD2-NH1 3.3Å; D421-R441 VanDerWaalsContact OD2-NH1 3.13Å |
| 422 | D | 96.6 | Very high | 91.5 | Very high | 73 Ų | 73 | 57.6 Ų | 57.6 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 175.2 | -55.1 | -54.4 | 0 | 0 | 0 | 111.2 | W418 T419 C424 S425 F426 | W418-D422 HydrophobicContact CB-CB 3.9Å; W418-D422 HydrophobicContact CG-CB 4.04Å; T419-D422 VanDerWaalsContact CB-OD2 3.31Å; T419-D422 WeakPolarHBondContact CB-OD2 3.33Å; T419-D422 WeakPolarHBondContact CG2-OD2 3.31Å; T419-D422 PolarHBondContact N-OD2 3.01Å; T419-D422 PolarHBondContact O-N 3.44Å; T419-D422 VanDerWaalsContact O-N 3.11Å; T419-D422 VanDerWaalsContact OG1-CG 3.28Å; T419-D422 PolarHBondContact OG1-N 3.15Å; T419-D422 PolarHBondContact OG1-OD2 3.06Å; D422-C424 VanDerWaalsContact C-N 3.35Å; D422-C424 PolarHBondContact O-N 2.93Å; D422-S425 WeakPolarHBondContact O-CB 3.31Å; D422-S425 PolarHBondContact O-N 2.83Å; D422-F426 WeakPolarHBondContact O-CB 3.23Å; D422-F426 PolarHBondContact O-N 2.92Å |
| 423 | V | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 172.7 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | W418 T419 F426 V427 F440 I445 L450 | W418-V423 HydrophobicContact CB-CG2 4.19Å; W418-V423 HydrophobicContact CE3-CG2 4.23Å; T419-V423 WeakPolarHBondContact O-CG2 3.21Å; T419-V423 PolarHBondContact O-N 3.33Å; V423-F426 PolarHBondContact O-N 3.04Å; V423-V427 HydrophobicContact CG1-CG2 4.48Å; V423-V427 WeakPolarHBondContact O-CB 3.3Å; V423-V427 WeakPolarHBondContact O-CG2 3.37Å; V423-V427 PolarHBondContact O-N 2.83Å; V423-F440 HydrophobicContact CG1-CD1 3.74Å; V423-F440 HydrophobicContact CG1-CE1 4.45Å; V423-I445 WeakPolarHBondContact CB-O 3.49Å; V423-I445 HydrophobicContact CG1-CB 4.42Å; V423-I445 HydrophobicContact CG1-CG2 4.09Å; V423-L450 HydrophobicContact CG1-CD1 4.34Å; V423-L450 HydrophobicContact CG1-CD2 4.14Å; V423-L450 HydrophobicContact CG2-CB 4.44Å; V423-L450 HydrophobicContact CG2-CD2 3.98Å |
| 424 | C | 97.1 | Very high | 94.6 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 5% | 0.054 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 175.5 | -71.7 | 0 | 0 | 0 | 0 | 112.3 | V420 D421 D422 G428 T437 | V420-C424 WeakPolarHBondContact O-CB 3.36Å; V420-C424 PolarHBondContact O-N 3.35Å; V420-C424 PolarHBondContact O-SG 3.42Å; D421-C424 PolarHBondContact O-N 2.92Å; D422-C424 VanDerWaalsContact C-N 3.35Å; D422-C424 PolarHBondContact O-N 2.93Å; C424-G428 PolarHBondContact O-N 2.88Å; C424-T437 WeakPolarHBondContact O-CG2 3.39Å; C424-T437 PolarHBondContact SG-O 2.9Å |
| 425 | S | 96.7 | Very high | 95.1 | Very high | 90 Ų | 90 | 50.7 Ų | 50.7 | 63% | 0.629 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.1 | -47.6 | 175.2 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | D421 D422 G428 G429 | D421-S425 WeakPolarHBondContact O-CB 3.32Å; D421-S425 PolarHBondContact O-N 3.49Å; D422-S425 WeakPolarHBondContact O-CB 3.31Å; D422-S425 PolarHBondContact O-N 2.83Å; S425-G428 PolarHBondContact O-N 3.49Å; S425-G429 PolarHBondContact O-N 3.29Å |
| 426 | F | 95.8 | Very high | 95.4 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 9% | 0.092 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.6 | -50.5 | 175.4 | 164.3 | -110.8 | 0 | 0 | 0 | 112.5 | W418 D422 V423 G428 G429 L430 L450 Q475 V476 | W418-F426 HydrophobicContact CH2-CB 3.89Å; W418-F426 HydrophobicContact CH2-CD1 4.12Å; W418-F426 AromaticContact CH2-CD2 3.72Å; W418-F426 HydrophobicContact CH2-CD2 3.72Å; W418-F426 HydrophobicContact CH2-CE2 4.26Å; W418-F426 AromaticContact CH2-CG 3.63Å; W418-F426 HydrophobicContact CH2-CG 3.63Å; W418-F426 HydrophobicContact CZ3-CB 3.83Å; W418-F426 AromaticContact CZ3-CD1 3.62Å; W418-F426 HydrophobicContact CZ3-CD1 3.62Å; W418-F426 HydrophobicContact CZ3-CD2 4.1Å; W418-F426 HydrophobicContact CZ3-CE1 4.16Å; W418-F426 AromaticContact CZ3-CG 3.57Å; W418-F426 HydrophobicContact CZ3-CG 3.57Å; D422-F426 WeakPolarHBondContact O-CB 3.23Å; D422-F426 PolarHBondContact O-N 2.92Å; V423-F426 PolarHBondContact O-N 3.04Å; F426-G428 VanDerWaalsContact C-N 3.29Å; F426-G428 PolarHBondContact O-N 3.43Å; F426-G429 PolarHBondContact O-N 3.18Å; F426-L430 HydrophobicContact CE1-CD1 4.37Å; F426-L430 HydrophobicContact CE2-CD1 4.31Å; F426-L430 HydrophobicContact CE2-CD2 4.44Å; F426-L430 HydrophobicContact CZ-CD1 4.03Å; F426-L430 PolarHBondContact O-N 3.36Å; F426-L450 HydrophobicContact CD1-CD2 4.17Å; F426-L450 HydrophobicContact CE1-CD2 4.18Å; F426-Q475 HydrophobicContact CE2-CB 4.05Å; F426-Q475 HydrophobicContact CZ-CB 3.7Å; F426-V476 HydrophobicContact CE1-CG2 3.74Å; F426-V476 HydrophobicContact CZ-CG2 4.04Å |
| 427 | V | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | V423 L430 C433 T437 F440 I472 | V423-V427 HydrophobicContact CG1-CG2 4.48Å; V423-V427 WeakPolarHBondContact O-CB 3.3Å; V423-V427 WeakPolarHBondContact O-CG2 3.37Å; V423-V427 PolarHBondContact O-N 2.83Å; V427-L430 PolarHBondContact O-N 3.46Å; V427-C433 HydrophobicContact CG1-CB 4.22Å; V427-C433 WeakPolarHBondContact O-CB 3.32Å; V427-T437 HydrophobicContact CB-CG2 4.26Å; V427-T437 HydrophobicContact CG1-CG2 4.05Å; V427-F440 HydrophobicContact CG1-CD2 4.3Å; V427-F440 HydrophobicContact CG1-CE2 4.38Å; V427-F440 HydrophobicContact CG2-CD1 4.09Å; V427-F440 HydrophobicContact CG2-CD2 4.44Å; V427-F440 HydrophobicContact CG2-CE1 4.07Å; V427-F440 HydrophobicContact CG2-CE2 4.42Å; V427-F440 HydrophobicContact CG2-CG 4.28Å; V427-F440 HydrophobicContact CG2-CZ 4.24Å; V427-I472 HydrophobicContact CG1-CD1 4.08Å; V427-I472 HydrophobicContact CG2-CD1 4.33Å |
| 428 | G | 96.5 | Very high | 95.8 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 38% | 0.381 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | C424 S425 F426 L430 T437 | C424-G428 PolarHBondContact O-N 2.88Å; S425-G428 PolarHBondContact O-N 3.49Å; F426-G428 VanDerWaalsContact C-N 3.29Å; F426-G428 PolarHBondContact O-N 3.43Å; G428-L430 PolarHBondContact O-N 3.37Å; G428-T437 VanDerWaalsContact CA-CG2 3.4Å; G428-T437 VanDerWaalsContact N-CG2 3.33Å |
| 429 | G | 95.3 | Very high | 95.8 | Very high | 69 Ų | 69 | 51.3 Ų | 51.3 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -10.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S425 F426 | S425-G429 PolarHBondContact O-N 3.29Å; F426-G429 PolarHBondContact O-N 3.18Å |
| 430 | L | 95.6 | Very high | 95.8 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -85.5 | 126.9 | 177.2 | -64.5 | -177.9 | 0 | 0 | 0 | 111.5 | F426 V427 G428 G432 C433 I472 Q475 | F426-L430 HydrophobicContact CE1-CD1 4.37Å; F426-L430 HydrophobicContact CE2-CD1 4.31Å; F426-L430 HydrophobicContact CE2-CD2 4.44Å; F426-L430 HydrophobicContact CZ-CD1 4.03Å; F426-L430 PolarHBondContact O-N 3.36Å; V427-L430 PolarHBondContact O-N 3.46Å; G428-L430 PolarHBondContact O-N 3.37Å; L430-G432 PolarHBondContact O-N 2.85Å; L430-C433 HydrophobicContact CB-CB 3.78Å; L430-C433 WeakPolarHBondContact O-CB 3.35Å; L430-C433 PolarHBondContact O-N 3.21Å; L430-I472 HydrophobicContact CD1-CG1 3.91Å; L430-Q475 HydrophobicContact CD1-CB 4.32Å; L430-Q475 HydrophobicContact CD1-CG 4.25Å; L430-Q475 HydrophobicContact CD2-CB 4.44Å; L430-Q475 HydrophobicContact CD2-CG 3.84Å |
| 431 | S | 94.1 | Very high | 95.8 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 64% | 0.643 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 120.8 | -175.1 | 61.2 | 0 | 0 | 0 | 0 | 112.2 | C433 K471 | S431-C433 VanDerWaalsContact C-N 3.31Å; S431-C433 PolarHBondContact O-N 3.26Å; S431-K471 PolarHBondContact O-NZ 3.47Å |
| 432 | G | 91.7 | Very high | 95.7 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 54% | 0.536 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 24 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L430 | L430-G432 PolarHBondContact O-N 2.85Š|
| 433 | C | 94.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -10.9 | 173 | -55.2 | 0 | 0 | 0 | 0 | 113.3 | V427 L430 S431 E435 Y436 | V427-C433 HydrophobicContact CG1-CB 4.22Å; V427-C433 WeakPolarHBondContact O-CB 3.32Å; L430-C433 HydrophobicContact CB-CB 3.78Å; L430-C433 WeakPolarHBondContact O-CB 3.35Å; L430-C433 PolarHBondContact O-N 3.21Å; S431-C433 VanDerWaalsContact C-N 3.31Å; S431-C433 PolarHBondContact O-N 3.26Å; C433-E435 PolarHBondContact O-N 3.05Å; C433-E435 VanDerWaalsContact O-N 3.14Å; C433-Y436 WeakPolarHBondContact O-CD2 3.44Å; C433-Y436 PolarHBondContact O-N 2.89Å |
| 434 | G | 93.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 56.8 Ų | 56.8 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -54.1 | -33.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y436 T437 | G434-Y436 PolarHBondContact O-N 3.12Å; G434-Y436 VanDerWaalsContact O-N 3.16Å; G434-T437 WeakPolarHBondContact O-CB 3.49Å; G434-T437 WeakPolarHBondContact O-CG2 3.28Å; G434-T437 PolarHBondContact O-N 2.9Å; G434-T437 PolarHBondContact O-OG1 2.72Å |
| 435 | E | 94.6 | Very high | 95.7 | Very high | 119 Ų | 119 | 56.7 Ų | 56.7 | 56% | 0.556 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -59.7 | -23.1 | 176.1 | 65.8 | -166.8 | -129.3 | 0 | 0 | 113.8 | C433 K465 | C433-E435 PolarHBondContact O-N 3.05Å; C433-E435 VanDerWaalsContact O-N 3.14Å; E435-K465 IonicContact OE1-NZ 2.74Å; E435-K465 PolarHBondContact OE1-NZ 3.08Å |
| 436 | Y | 95.4 | Very high | 95.7 | Very high | 17 Ų | 17 | 54.9 Ų | 54.9 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -94.7 | -8 | -179.6 | -54.7 | -73 | 0 | 0 | 0 | 114.2 | C433 G434 R438 V439 F440 L464 K465 P468 | C433-Y436 WeakPolarHBondContact O-CD2 3.44Å; C433-Y436 PolarHBondContact O-N 2.89Å; G434-Y436 PolarHBondContact O-N 3.12Å; G434-Y436 VanDerWaalsContact O-N 3.16Å; Y436-R438 PolarHBondContact O-N 3.23Å; Y436-V439 WeakPolarHBondContact O-CA 3.38Å; Y436-V439 WeakPolarHBondContact O-CB 3.47Å; Y436-V439 PolarHBondContact O-N 3.28Å; Y436-F440 WeakPolarHBondContact O-CD2 3.44Å; Y436-F440 PolarHBondContact O-N 2.88Å; Y436-F440 VanDerWaalsContact O-N 3.12Å; Y436-L464 HydrophobicContact CD1-CD1 3.6Å; Y436-L464 HydrophobicContact CD1-CG 3.58Å; Y436-L464 HydrophobicContact CD2-CG 4.15Å; Y436-L464 HydrophobicContact CE1-CB 4.34Å; Y436-L464 HydrophobicContact CE1-CD1 4.2Å; Y436-L464 HydrophobicContact CE1-CG 3.85Å; Y436-L464 HydrophobicContact CE2-CG 4.41Å; Y436-L464 HydrophobicContact CG-CD1 3.96Å; Y436-L464 HydrophobicContact CG-CD2 4.32Å; Y436-L464 HydrophobicContact CG-CG 3.73Å; Y436-K465 VanDerWaalsContact OH-CD 3.26Å; Y436-K465 WeakPolarHBondContact OH-CD 3.49Å; Y436-K465 WeakPolarHBondContact OH-CE 3.49Å; Y436-K465 WeakPolarHBondContact OH-CG 3.49Å; Y436-K465 PolarHBondContact OH-N 3.24Å; Y436-K465 PolarHBondContact OH-NZ 2.99Å; Y436-P468 HydrophobicContact CD2-CB 3.97Å; Y436-P468 HydrophobicContact CD2-CG 4.4Å; Y436-P468 HydrophobicContact CE2-CB 3.52Å; Y436-P468 HydrophobicContact CE2-CG 3.52Å |
| 437 | T | 96.4 | Very high | 95.6 | Very high | 40 Ų | 40 | 53.9 Ų | 53.9 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.9 | -39.7 | -179.2 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | C424 V427 G428 G434 V439 F440 R441 | C424-T437 WeakPolarHBondContact O-CG2 3.39Å; C424-T437 PolarHBondContact SG-O 2.9Å; V427-T437 HydrophobicContact CB-CG2 4.26Å; V427-T437 HydrophobicContact CG1-CG2 4.05Å; G428-T437 VanDerWaalsContact CA-CG2 3.4Å; G428-T437 VanDerWaalsContact N-CG2 3.33Å; G434-T437 WeakPolarHBondContact O-CB 3.49Å; G434-T437 WeakPolarHBondContact O-CG2 3.28Å; G434-T437 PolarHBondContact O-N 2.9Å; G434-T437 PolarHBondContact O-OG1 2.72Å; T437-V439 VanDerWaalsContact C-N 3.32Å; T437-V439 PolarHBondContact O-N 3.3Å; T437-F440 PolarHBondContact O-N 2.88Å; T437-R441 PolarHBondContact O-N 3.32Å |
| 438 | R | 96.5 | Very high | 95.5 | Very high | 171 Ų | 171 | 60.2 Ų | 60.2 | 65% | 0.645 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.7 | -41.5 | 173.2 | 179.2 | 176.1 | 168.9 | 178.9 | -3.9 | 112.3 | Y436 R441 E442 | Y436-R438 PolarHBondContact O-N 3.23Å; R438-R441 WeakPolarHBondContact O-CB 3.44Å; R438-R441 PolarHBondContact O-N 3.33Å; R438-E442 HydrophobicContact CG-CG 4.29Å; R438-E442 IonicContact CZ-OE1 2.73Å; R438-E442 IonicContact NE-OE1 2.69Å; R438-E442 PolarHBondContact NE-OE1 2.94Å; R438-E442 IonicContact NE-OE2 3.8Å; R438-E442 IonicContact NH2-OE1 3.7Å; R438-E442 PolarHBondContact NH2-OE1 2.9Å; R438-E442 WeakPolarHBondContact O-CB 3.36Å; R438-E442 WeakPolarHBondContact O-CG 3.41Å; R438-E442 PolarHBondContact O-N 3.42Å |
| 439 | V | 96.4 | Very high | 95.4 | Very high | 33 Ų | 33 | 61 Ų | 61 | 20% | 0.2 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | -179.9 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | Y436 T437 R441 E442 Q443 M462 | Y436-V439 WeakPolarHBondContact O-CA 3.38Å; Y436-V439 WeakPolarHBondContact O-CB 3.47Å; Y436-V439 PolarHBondContact O-N 3.28Å; T437-V439 VanDerWaalsContact C-N 3.32Å; T437-V439 PolarHBondContact O-N 3.3Å; V439-R441 VanDerWaalsContact C-N 3.28Å; V439-R441 PolarHBondContact O-N 3.01Å; V439-E442 PolarHBondContact O-N 2.94Å; V439-Q443 HydrophobicContact CG1-CG 4.3Å; V439-Q443 WeakPolarHBondContact O-CB 3.33Å; V439-Q443 VanDerWaalsContact O-CG 3.31Å; V439-Q443 WeakPolarHBondContact O-CG 3.39Å; V439-Q443 PolarHBondContact O-N 3.05Å; V439-M462 HydrophobicContact CG1-CB 3.82Å; V439-M462 HydrophobicContact CG1-CG 3.78Å |
| 440 | F | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 174.4 | -82 | -106.9 | 0 | 0 | 0 | 111.9 | V423 V427 Y436 T437 G444 I445 L450 L453 L458 M462 L464 I472 | V423-F440 HydrophobicContact CG1-CD1 3.74Å; V423-F440 HydrophobicContact CG1-CE1 4.45Å; V427-F440 HydrophobicContact CG1-CD2 4.3Å; V427-F440 HydrophobicContact CG1-CE2 4.38Å; V427-F440 HydrophobicContact CG2-CD1 4.09Å; V427-F440 HydrophobicContact CG2-CD2 4.44Å; V427-F440 HydrophobicContact CG2-CE1 4.07Å; V427-F440 HydrophobicContact CG2-CE2 4.42Å; V427-F440 HydrophobicContact CG2-CG 4.28Å; V427-F440 HydrophobicContact CG2-CZ 4.24Å; Y436-F440 WeakPolarHBondContact O-CD2 3.44Å; Y436-F440 PolarHBondContact O-N 2.88Å; Y436-F440 VanDerWaalsContact O-N 3.12Å; T437-F440 PolarHBondContact O-N 2.88Å; F440-G444 PolarHBondContact O-N 2.8Å; F440-I445 HydrophobicContact CB-CB 4.46Å; F440-I445 HydrophobicContact CB-CG1 4.46Å; F440-I445 HydrophobicContact CD1-CB 3.82Å; F440-I445 HydrophobicContact CD1-CG1 3.9Å; F440-I445 HydrophobicContact CD1-CG2 3.85Å; F440-I445 HydrophobicContact CE1-CG2 4.21Å; F440-I445 HydrophobicContact CG-CG1 4.38Å; F440-I445 PolarHBondContact O-N 3.22Å; F440-L450 HydrophobicContact CE1-CD1 3.96Å; F440-L453 HydrophobicContact CE1-CD1 3.86Å; F440-L453 HydrophobicContact CZ-CD1 4.42Å; F440-L458 HydrophobicContact CE1-CD2 4.5Å; F440-L458 HydrophobicContact CE2-CD2 4.33Å; F440-L458 HydrophobicContact CZ-CD2 3.65Å; F440-M462 HydrophobicContact CD2-SD 4.33Å; F440-M462 HydrophobicContact CE2-SD 4.06Å; F440-M462 HydrophobicContact CZ-SD 4.19Å; F440-L464 HydrophobicContact CE2-CD1 4.34Å; F440-L464 HydrophobicContact CE2-CD2 4.23Å; F440-I472 HydrophobicContact CE2-CD1 3.99Å; F440-I472 HydrophobicContact CZ-CD1 3.87Å; F440-I472 HydrophobicContact CZ-CG2 4.27Å |
| 441 | R | 97 | Very high | 95.3 | Very high | 121 Ų | 121 | 58.8 Ų | 58.8 | 46% | 0.457 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 173.5 | -168.9 | 175.3 | -67.7 | -87.4 | 1.9 | 112.9 | D421 T437 R438 V439 Q443 G444 | D421-R441 VanDerWaalsContact CG-NH1 3.26Å; D421-R441 IonicContact OD1-CZ 2.63Å; D421-R441 IonicContact OD1-NH1 2.66Å; D421-R441 PolarHBondContact OD1-NH1 3.23Å; D421-R441 IonicContact OD1-NH2 2.62Å; D421-R441 PolarHBondContact OD1-NH2 2.98Å; D421-R441 IonicContact OD2-NH1 3.65Å; D421-R441 PolarHBondContact OD2-NH1 3.3Å; D421-R441 VanDerWaalsContact OD2-NH1 3.13Å; T437-R441 PolarHBondContact O-N 3.32Å; R438-R441 WeakPolarHBondContact O-CB 3.44Å; R438-R441 PolarHBondContact O-N 3.33Å; V439-R441 VanDerWaalsContact C-N 3.28Å; V439-R441 PolarHBondContact O-N 3.01Å; R441-Q443 VanDerWaalsContact C-N 3.34Å; R441-G444 PolarHBondContact O-N 3.02Å; R441-G444 VanDerWaalsContact O-N 3.12Å |
| 442 | E | 96.6 | Very high | 95.3 | Very high | 120 Ų | 120 | 60.7 Ų | 60.7 | 56% | 0.561 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68.1 | -32.3 | -179.6 | -75.5 | 174.2 | 158 | 0 | 0 | 112.6 | R438 V439 G444 | R438-E442 HydrophobicContact CG-CG 4.29Å; R438-E442 IonicContact CZ-OE1 2.73Å; R438-E442 IonicContact NE-OE1 2.69Å; R438-E442 PolarHBondContact NE-OE1 2.94Å; R438-E442 IonicContact NE-OE2 3.8Å; R438-E442 IonicContact NH2-OE1 3.7Å; R438-E442 PolarHBondContact NH2-OE1 2.9Å; R438-E442 WeakPolarHBondContact O-CB 3.36Å; R438-E442 WeakPolarHBondContact O-CG 3.41Å; R438-E442 PolarHBondContact O-N 3.42Å; V439-E442 PolarHBondContact O-N 2.94Å; E442-G444 VanDerWaalsContact C-N 3.31Å |
| 443 | Q | 95.9 | Very high | 95.4 | Very high | 106 Ų | 106 | 59 Ų | 59 | 50% | 0.495 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.9 | 172.2 | -62.2 | -66 | -20.8 | 0 | 0 | 113.3 | V439 R441 I445 M462 | V439-Q443 HydrophobicContact CG1-CG 4.3Å; V439-Q443 WeakPolarHBondContact O-CB 3.33Å; V439-Q443 VanDerWaalsContact O-CG 3.31Å; V439-Q443 WeakPolarHBondContact O-CG 3.39Å; V439-Q443 PolarHBondContact O-N 3.05Å; R441-Q443 VanDerWaalsContact C-N 3.34Å; Q443-I445 VanDerWaalsContact C-N 3.33Å; Q443-I445 HydrophobicContact CB-CD1 3.78Å; Q443-I445 HydrophobicContact CB-CG1 3.93Å; Q443-I445 PolarHBondContact O-N 3.44Å; Q443-M462 HydrophobicContact CG-CG 4.07Å |
| 444 | G | 95.7 | Very high | 95.4 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 39% | 0.392 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 31.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F440 R441 E442 D446 | F440-G444 PolarHBondContact O-N 2.8Å; R441-G444 PolarHBondContact O-N 3.02Å; R441-G444 VanDerWaalsContact O-N 3.12Å; E442-G444 VanDerWaalsContact C-N 3.31Å; G444-D446 PolarHBondContact O-N 2.92Å; G444-D446 VanDerWaalsContact O-N 3.15Å |
| 445 | I | 97.2 | Very high | 95.5 | Very high | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.036 | 32% | 0.32 | C | S | . | . | trans | -69.1 | 111.8 | -175.2 | -53.4 | -53.2 | 0 | 0 | 0 | 110.5 | V420 V423 F440 Q443 T449 L450 L453 | V420-I445 WeakPolarHBondContact CA-O 3.36Å; V423-I445 WeakPolarHBondContact CB-O 3.49Å; V423-I445 HydrophobicContact CG1-CB 4.42Å; V423-I445 HydrophobicContact CG1-CG2 4.09Å; F440-I445 HydrophobicContact CB-CB 4.46Å; F440-I445 HydrophobicContact CB-CG1 4.46Å; F440-I445 HydrophobicContact CD1-CB 3.82Å; F440-I445 HydrophobicContact CD1-CG1 3.9Å; F440-I445 HydrophobicContact CD1-CG2 3.85Å; F440-I445 HydrophobicContact CE1-CG2 4.21Å; F440-I445 HydrophobicContact CG-CG1 4.38Å; F440-I445 PolarHBondContact O-N 3.22Å; Q443-I445 VanDerWaalsContact C-N 3.33Å; Q443-I445 HydrophobicContact CB-CD1 3.78Å; Q443-I445 HydrophobicContact CB-CG1 3.93Å; Q443-I445 PolarHBondContact O-N 3.44Å; I445-T449 HydrophobicContact CD1-CG2 4.28Å; I445-L450 HydrophobicContact CG2-CB 4.03Å; I445-L450 HydrophobicContact CG2-CD1 4.46Å; I445-L453 HydrophobicContact CD1-CD2 4.17Å; I445-L453 HydrophobicContact CG2-CD1 3.91Å | ||
| 446 | D | 96.7 | Very high | 95.5 | Very high | 52 Ų | 52 | 65 Ų | 65 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | trans | -98.3 | -178.3 | 173.6 | 65.7 | 12.2 | 0 | 0 | 0 | 112.6 | V420 G444 E448 T449 L450 | V420-D446 HydrophobicContact CG2-CB 4.16Å; G444-D446 PolarHBondContact O-N 2.92Å; G444-D446 VanDerWaalsContact O-N 3.15Å; D446-E448 VanDerWaalsContact C-N 3.34Å; D446-E448 PolarHBondContact O-N 3.25Å; D446-E448 PolarHBondContact OD1-N 2.89Å; D446-T449 PolarHBondContact O-N 3.27Å; D446-T449 WeakPolarHBondContact OD1-CB 3.24Å; D446-T449 PolarHBondContact OD1-N 3.5Å; D446-T449 PolarHBondContact OD1-OG1 3.29Å; D446-L450 VanDerWaalsContact O-CB 3.22Å; D446-L450 WeakPolarHBondContact O-CB 3.42Å; D446-L450 PolarHBondContact O-N 2.92Å | ||
| 447 | G | 94.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -26.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V415 T416 W418 P451 | V415-G447 CarbonylContact C-O 3.56Å; V415-G447 CarbonylContact O-C 3.59Å; V415-G447 WeakPolarHBondContact O-CA 3.46Å; T416-G447 WeakPolarHBondContact CA-O 3.23Å; W418-G447 WeakPolarHBondContact O-CA 3.48Å; W418-G447 PolarHBondContact O-N 3.14Å; G447-P451 WeakPolarHBondContact O-CD 3.42Å; G447-P451 WeakPolarHBondContact O-CG 3.48Å |
| 448 | E | 94.1 | Very high | 95.5 | Very high | 133 Ų | 133 | 65 Ų | 65 | 62% | 0.621 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -34.9 | 174.8 | -61.3 | -161.8 | 158 | 0 | 0 | 111.1 | T416 D446 | T416-E448 WeakPolarHBondContact O-CG 3.01Å; D446-E448 VanDerWaalsContact C-N 3.34Å; D446-E448 PolarHBondContact O-N 3.25Å; D446-E448 PolarHBondContact OD1-N 2.89Å |
| 449 | T | 94.6 | Very high | 95.5 | Very high | 53 Ų | 53 | 59.6 Ų | 59.6 | 33% | 0.325 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -37.2 | -177.8 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | I445 D446 L452 L453 | I445-T449 HydrophobicContact CD1-CG2 4.28Å; D446-T449 PolarHBondContact O-N 3.27Å; D446-T449 WeakPolarHBondContact OD1-CB 3.24Å; D446-T449 PolarHBondContact OD1-N 3.5Å; D446-T449 PolarHBondContact OD1-OG1 3.29Å; T449-L452 WeakPolarHBondContact O-CA 3.49Å; T449-L452 WeakPolarHBondContact O-CB 3.34Å; T449-L452 PolarHBondContact O-N 3.39Å; T449-L453 HydrophobicContact CG2-CD2 4.03Å; T449-L453 PolarHBondContact O-N 3.48Å |
| 450 | L | 95.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -51.8 | -41.3 | -179.1 | 174.9 | 66.8 | 0 | 0 | 0 | 114.4 | V415 W418 V423 F426 F440 I445 D446 L452 L453 I472 V476 | V415-L450 HydrophobicContact CG1-CD2 4.14Å; W418-L450 HydrophobicContact CE3-CD2 3.88Å; W418-L450 HydrophobicContact CZ3-CD2 3.85Å; V423-L450 HydrophobicContact CG1-CD1 4.34Å; V423-L450 HydrophobicContact CG1-CD2 4.14Å; V423-L450 HydrophobicContact CG2-CB 4.44Å; V423-L450 HydrophobicContact CG2-CD2 3.98Å; F426-L450 HydrophobicContact CD1-CD2 4.17Å; F426-L450 HydrophobicContact CE1-CD2 4.18Å; F440-L450 HydrophobicContact CE1-CD1 3.96Å; I445-L450 HydrophobicContact CG2-CB 4.03Å; I445-L450 HydrophobicContact CG2-CD1 4.46Å; D446-L450 VanDerWaalsContact O-CB 3.22Å; D446-L450 WeakPolarHBondContact O-CB 3.42Å; D446-L450 PolarHBondContact O-N 2.92Å; L450-L452 VanDerWaalsContact C-N 3.27Å; L450-L452 PolarHBondContact O-N 2.95Å; L450-L453 HydrophobicContact CD1-CD1 3.98Å; L450-I472 HydrophobicContact CD1-CG2 4.29Å; L450-V476 HydrophobicContact CD1-CG2 3.8Å; L450-V476 HydrophobicContact CD2-CG2 3.84Å; L450-V476 HydrophobicContact CG-CG1 4.34Å; L450-V476 HydrophobicContact CG-CG2 3.71Å |
| 451 | P | 93 | Very high | 95.2 | Very high | 42 Ų | 42 | 67.8 Ų | 67.8 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -65 | -21.3 | 172.6 | -26.8 | 37.4 | 0 | 0 | 0 | 115.8 | V415 G447 L480 | V415-P451 HydrophobicContact CG1-CG 4.19Å; G447-P451 WeakPolarHBondContact O-CD 3.42Å; G447-P451 WeakPolarHBondContact O-CG 3.48Å; P451-L480 HydrophobicContact CB-CD1 3.74Å; P451-L480 HydrophobicContact CG-CD1 4Å; P451-L480 HydrophobicContact CG-CD2 4.15Å |
| 452 | L | 93.6 | Very high | 95.1 | Very high | 132 Ų | 132 | 62.5 Ų | 62.5 | 69% | 0.691 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -90.7 | -12.9 | -174.6 | -54.2 | 178.9 | 0 | 0 | 0 | 112.7 | T449 L450 T454 | T449-L452 WeakPolarHBondContact O-CA 3.49Å; T449-L452 WeakPolarHBondContact O-CB 3.34Å; T449-L452 PolarHBondContact O-N 3.39Å; L450-L452 VanDerWaalsContact C-N 3.27Å; L450-L452 PolarHBondContact O-N 2.95Å; L452-T454 PolarHBondContact O-N 3.46Å |
| 453 | L | 94.7 | Very high | 95 | Very high | 18 Ų | 18 | 59.4 Ų | 59.4 | 9% | 0.094 | 33% | 0.333 | C | S | . | . | trans | -66.1 | 116.2 | -176.1 | -52 | -179.8 | 0 | 0 | 0 | 111.7 | F440 I445 T449 L450 L458 M462 | F440-L453 HydrophobicContact CE1-CD1 3.86Å; F440-L453 HydrophobicContact CZ-CD1 4.42Å; I445-L453 HydrophobicContact CD1-CD2 4.17Å; I445-L453 HydrophobicContact CG2-CD1 3.91Å; T449-L453 HydrophobicContact CG2-CD2 4.03Å; T449-L453 PolarHBondContact O-N 3.48Å; L450-L453 HydrophobicContact CD1-CD1 3.98Å; L453-L458 HydrophobicContact CB-CD1 4.44Å; L453-L458 HydrophobicContact CB-CG 4.32Å; L453-L458 HydrophobicContact CD1-CD2 4.15Å; L453-M462 HydrophobicContact CD1-CE 4.03Å; L453-M462 HydrophobicContact CD2-CE 4.13Å | ||
| 454 | T | 94.7 | Very high | 95 | Very high | 74 Ų | 74 | 54.7 Ų | 54.7 | 45% | 0.454 | 31% | 0.311 | S | S | . | . | trans | -76 | 163.1 | 173.5 | 68.1 | 0 | 0 | 0 | 0 | 111.1 | L452 E456 H457 L458 | L452-T454 PolarHBondContact O-N 3.46Å; T454-E456 VanDerWaalsContact C-N 3.34Å; T454-H457 PolarHBondContact O-N 2.69Å; T454-H457 VanDerWaalsContact OG1-CB 3.29Å; T454-H457 WeakPolarHBondContact OG1-CB 3.44Å; T454-H457 PolarHBondContact OG1-N 2.75Å; T454-H457 VanDerWaalsContact OG1-N 3.07Å; T454-L458 WeakPolarHBondContact O-CG 3.5Å; T454-L458 PolarHBondContact O-N 2.72Å; T454-L458 VanDerWaalsContact O-N 3.12Å | ||
| 455 | E | 94.4 | Very high | 95.1 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 173.3 | -167.5 | 164.7 | 125.3 | 0 | 0 | 111.7 | H457 L458 L459 L466 L470 R473 | E455-H457 VanDerWaalsContact C-N 3.31Å; E455-H457 PolarHBondContact O-N 3.36Å; E455-L458 PolarHBondContact O-N 3.06Å; E455-L459 HydrophobicContact CG-CD1 4.04Å; E455-L459 HydrophobicContact CG-CG 4.47Å; E455-L459 WeakPolarHBondContact O-CB 3.47Å; E455-L459 VanDerWaalsContact O-CG 3.25Å; E455-L459 WeakPolarHBondContact O-CG 3.48Å; E455-L459 PolarHBondContact O-N 3.5Å; E455-L466 HydrophobicContact CG-CD1 4.42Å; E455-L470 WeakPolarHBondContact OE2-CD2 3.35Å; E455-R473 IonicContact OE2-CZ 2.68Å; E455-R473 IonicContact OE2-NH1 3.18Å; E455-R473 PolarHBondContact OE2-NH1 3.46Å |
| 456 | E | 94.9 | Very high | 95 | Very high | 140 Ų | 140 | 62.8 Ų | 62.8 | 65% | 0.654 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -56.4 | -42.6 | 174.2 | -179.8 | 176.5 | -160.2 | 0 | 0 | 112.2 | T454 L459 T460 | T454-E456 VanDerWaalsContact C-N 3.34Å; E456-L459 PolarHBondContact O-N 3.28Å; E456-T460 WeakPolarHBondContact O-CA 3.47Å; E456-T460 WeakPolarHBondContact O-CB 3.41Å; E456-T460 PolarHBondContact O-N 2.74Å; E456-T460 PolarHBondContact O-OG1 2.95Å; E456-T460 VanDerWaalsContact O-OG1 3.11Å |
| 457 | H | 96.1 | Very high | 94.9 | Very high | 54 Ų | 54 | 62.3 Ų | 62.3 | 25% | 0.25 | 35% | 0.347 | C | S | . | . | I | π-helix | trans | -68.9 | -39.2 | -179.9 | -176 | 70 | 0 | 0 | 0 | 112.4 | T454 E455 N461 M462 | T454-H457 PolarHBondContact O-N 2.69Å; T454-H457 VanDerWaalsContact OG1-CB 3.29Å; T454-H457 WeakPolarHBondContact OG1-CB 3.44Å; T454-H457 PolarHBondContact OG1-N 2.75Å; T454-H457 VanDerWaalsContact OG1-N 3.07Å; E455-H457 VanDerWaalsContact C-N 3.31Å; E455-H457 PolarHBondContact O-N 3.36Å; H457-N461 WeakPolarHBondContact ND1-CB 3.46Å; H457-N461 VanDerWaalsContact ND1-CG 3.33Å; H457-N461 PolarHBondContact ND1-OD1 3.1Å; H457-N461 WeakPolarHBondContact O-CB 3.49Å; H457-N461 PolarHBondContact O-N 2.89Å; H457-M462 WeakPolarHBondContact CD2-CE 3.32Å; H457-M462 WeakPolarHBondContact NE2-CE 3.29Å; H457-M462 PolarHBondContact O-N 3.2Å |
| 458 | L | 96.5 | Very high | 95 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -63.4 | -44.2 | 173.1 | -70.9 | 159.9 | 0 | 0 | 0 | 111.8 | F440 L453 T454 E455 M462 G463 L464 A469 R473 | F440-L458 HydrophobicContact CE1-CD2 4.5Å; F440-L458 HydrophobicContact CE2-CD2 4.33Å; F440-L458 HydrophobicContact CZ-CD2 3.65Å; L453-L458 HydrophobicContact CB-CD1 4.44Å; L453-L458 HydrophobicContact CB-CG 4.32Å; L453-L458 HydrophobicContact CD1-CD2 4.15Å; T454-L458 WeakPolarHBondContact O-CG 3.5Å; T454-L458 PolarHBondContact O-N 2.72Å; T454-L458 VanDerWaalsContact O-N 3.12Å; E455-L458 PolarHBondContact O-N 3.06Å; L458-M462 HydrophobicContact CD2-CE 3.78Å; L458-M462 HydrophobicContact CD2-SD 4.18Å; L458-M462 HydrophobicContact CG-CE 4.34Å; L458-M462 CarbonylContact O-C 3.36Å; L458-M462 WeakPolarHBondContact O-CB 3.42Å; L458-G463 PolarHBondContact O-N 3.28Å; L458-L464 HydrophobicContact CB-CD2 4.47Å; L458-L464 HydrophobicContact CD2-CD2 4.01Å; L458-L464 WeakPolarHBondContact O-CB 3.39Å; L458-L464 PolarHBondContact O-N 3.23Å; L458-A469 HydrophobicContact CB-CB 3.89Å; L458-A469 HydrophobicContact CD1-CB 4.34Å; L458-R473 HydrophobicContact CD1-CG 3.51Å |
| 459 | L | 96.4 | Very high | 95.1 | Very high | 59 Ų | 59 | 56.8 Ų | 56.8 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | I | π-helix | trans | -70 | -50.2 | 179.4 | -67.8 | 173.6 | 0 | 0 | 0 | 112.5 | E455 E456 G463 L464 L466 A469 | E455-L459 HydrophobicContact CG-CD1 4.04Å; E455-L459 HydrophobicContact CG-CG 4.47Å; E455-L459 WeakPolarHBondContact O-CB 3.47Å; E455-L459 VanDerWaalsContact O-CG 3.25Å; E455-L459 WeakPolarHBondContact O-CG 3.48Å; E455-L459 PolarHBondContact O-N 3.5Å; E456-L459 PolarHBondContact O-N 3.28Å; L459-G463 VanDerWaalsContact O-CA 3.25Å; L459-G463 WeakPolarHBondContact O-CA 3.44Å; L459-G463 PolarHBondContact O-N 3.33Å; L459-L464 VanDerWaalsContact CD2-O 3.26Å; L459-L464 WeakPolarHBondContact CD2-O 3.04Å; L459-L466 HydrophobicContact CD1-CD1 4.24Å; L459-L466 HydrophobicContact CD2-CB 4.18Å; L459-L466 HydrophobicContact CD2-CD1 4.25Å; L459-A469 HydrophobicContact CD2-CB 4.28Å |
| 460 | T | 93.8 | Very high | 95.2 | Very high | 104 Ų | 104 | 57.1 Ų | 57.1 | 64% | 0.638 | 32% | 0.322 | S | S | * | . | I | π-helix | trans | -92.5 | -42.6 | -165.7 | -54.7 | 0 | 0 | 0 | 0 | 113 | E456 | E456-T460 WeakPolarHBondContact O-CA 3.47Å; E456-T460 WeakPolarHBondContact O-CB 3.41Å; E456-T460 PolarHBondContact O-N 2.74Å; E456-T460 PolarHBondContact O-OG1 2.95Å; E456-T460 VanDerWaalsContact O-OG1 3.11Å |
| 461 | N | 93.4 | Very high | 95.2 | Very high | 100 Ų | 100 | 61.1 Ų | 61.1 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -89.2 | -35 | -178.1 | -62.4 | 106.8 | 0 | 0 | 0 | 112.6 | H457 | H457-N461 WeakPolarHBondContact ND1-CB 3.46Å; H457-N461 VanDerWaalsContact ND1-CG 3.33Å; H457-N461 PolarHBondContact ND1-OD1 3.1Å; H457-N461 WeakPolarHBondContact O-CB 3.49Å; H457-N461 PolarHBondContact O-N 2.89Å |
| 462 | M | 94.3 | Very high | 95.3 | Very high | 11 Ų | 11 | 59.2 Ų | 59.2 | 5% | 0.054 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -99.9 | -6.3 | 178.2 | -73.9 | -179.6 | -103.5 | 0 | 0 | 114.5 | V439 F440 Q443 L453 H457 L458 L464 | V439-M462 HydrophobicContact CG1-CB 3.82Å; V439-M462 HydrophobicContact CG1-CG 3.78Å; F440-M462 HydrophobicContact CD2-SD 4.33Å; F440-M462 HydrophobicContact CE2-SD 4.06Å; F440-M462 HydrophobicContact CZ-SD 4.19Å; Q443-M462 HydrophobicContact CG-CG 4.07Å; L453-M462 HydrophobicContact CD1-CE 4.03Å; L453-M462 HydrophobicContact CD2-CE 4.13Å; H457-M462 WeakPolarHBondContact CD2-CE 3.32Å; H457-M462 WeakPolarHBondContact NE2-CE 3.29Å; H457-M462 PolarHBondContact O-N 3.2Å; L458-M462 HydrophobicContact CD2-CE 3.78Å; L458-M462 HydrophobicContact CD2-SD 4.18Å; L458-M462 HydrophobicContact CG-CE 4.34Å; L458-M462 CarbonylContact O-C 3.36Å; L458-M462 WeakPolarHBondContact O-CB 3.42Å; M462-L464 VanDerWaalsContact C-N 3.27Å; M462-L464 HydrophobicContact CB-CD1 3.54Å; M462-L464 PolarHBondContact O-N 3.46Å |
| 463 | G | 94.3 | Very high | 95.4 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 57% | 0.567 | 31% | 0.308 | S | S | * | . | trans | 67.6 | 21.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L458 L459 | L458-G463 PolarHBondContact O-N 3.28Å; L459-G463 VanDerWaalsContact O-CA 3.25Å; L459-G463 WeakPolarHBondContact O-CA 3.44Å; L459-G463 PolarHBondContact O-N 3.33Å | ||
| 464 | L | 96.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | trans | -68.1 | 146.5 | 177.8 | -86.6 | 68.7 | 0 | 0 | 0 | 111.1 | Y436 F440 L458 L459 M462 P468 A469 I472 | Y436-L464 HydrophobicContact CD1-CD1 3.6Å; Y436-L464 HydrophobicContact CD1-CG 3.58Å; Y436-L464 HydrophobicContact CD2-CG 4.15Å; Y436-L464 HydrophobicContact CE1-CB 4.34Å; Y436-L464 HydrophobicContact CE1-CD1 4.2Å; Y436-L464 HydrophobicContact CE1-CG 3.85Å; Y436-L464 HydrophobicContact CE2-CG 4.41Å; Y436-L464 HydrophobicContact CG-CD1 3.96Å; Y436-L464 HydrophobicContact CG-CD2 4.32Å; Y436-L464 HydrophobicContact CG-CG 3.73Å; F440-L464 HydrophobicContact CE2-CD1 4.34Å; F440-L464 HydrophobicContact CE2-CD2 4.23Å; L458-L464 HydrophobicContact CB-CD2 4.47Å; L458-L464 HydrophobicContact CD2-CD2 4.01Å; L458-L464 WeakPolarHBondContact O-CB 3.39Å; L458-L464 PolarHBondContact O-N 3.23Å; L459-L464 VanDerWaalsContact CD2-O 3.26Å; L459-L464 WeakPolarHBondContact CD2-O 3.04Å; M462-L464 VanDerWaalsContact C-N 3.27Å; M462-L464 HydrophobicContact CB-CD1 3.54Å; M462-L464 PolarHBondContact O-N 3.46Å; L464-P468 HydrophobicContact CD2-CB 4.27Å; L464-A469 HydrophobicContact CB-CB 4.18Å; L464-A469 HydrophobicContact CD2-CB 4.35Å; L464-I472 HydrophobicContact CD2-CD1 3.66Å | ||
| 465 | K | 97 | Very high | 95.2 | Very high | 126 Ų | 126 | 56.5 Ų | 56.5 | 55% | 0.548 | 31% | 0.306 | S | S | . | . | trans | -70.4 | 150.3 | 164.2 | -61 | 159.4 | -162.7 | 146.9 | 0 | 108.8 | E435 Y436 G467 P468 A469 | E435-K465 IonicContact OE1-NZ 2.74Å; E435-K465 PolarHBondContact OE1-NZ 3.08Å; Y436-K465 VanDerWaalsContact OH-CD 3.26Å; Y436-K465 WeakPolarHBondContact OH-CD 3.49Å; Y436-K465 WeakPolarHBondContact OH-CE 3.49Å; Y436-K465 WeakPolarHBondContact OH-CG 3.49Å; Y436-K465 PolarHBondContact OH-N 3.24Å; Y436-K465 PolarHBondContact OH-NZ 2.99Å; K465-G467 VanDerWaalsContact C-N 3.28Å; K465-G467 PolarHBondContact O-N 3.49Å; K465-P468 HydrophobicContact CB-CG 4.22Å; K465-P468 VanDerWaalsContact O-CD 3.25Å; K465-P468 WeakPolarHBondContact O-CD 3.27Å; K465-A469 PolarHBondContact O-N 3.33Å | ||
| 466 | L | 95.6 | Very high | 95.1 | Very high | 89 Ų | 89 | 54 Ų | 54 | 47% | 0.466 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.3 | -38.3 | -177 | -176.5 | 63.6 | 0 | 0 | 0 | 113.9 | E455 L459 A469 L470 | E455-L466 HydrophobicContact CG-CD1 4.42Å; L459-L466 HydrophobicContact CD1-CD1 4.24Å; L459-L466 HydrophobicContact CD2-CB 4.18Å; L459-L466 HydrophobicContact CD2-CD1 4.25Å; L466-A469 PolarHBondContact O-N 3.39Å; L466-L470 HydrophobicContact CD1-CD1 3.9Å; L466-L470 HydrophobicContact CD1-CG 3.96Å; L466-L470 HydrophobicContact CD2-CD1 4.45Å; L466-L470 HydrophobicContact CG-CD1 3.79Å; L466-L470 HydrophobicContact CG-CG 4.27Å; L466-L470 WeakPolarHBondContact O-CB 3.48Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.36Å; L466-L470 PolarHBondContact O-N 3.36Å |
| 467 | G | 96.1 | Very high | 94.9 | Very high | 42 Ų | 42 | 48.2 Ų | 48.2 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59 | -60.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K465 A469 L470 K471 | K465-G467 VanDerWaalsContact C-N 3.28Å; K465-G467 PolarHBondContact O-N 3.49Å; G467-A469 PolarHBondContact O-N 2.86Å; G467-L470 PolarHBondContact O-N 3.37Å; G467-K471 WeakPolarHBondContact O-CB 3.4Å; G467-K471 WeakPolarHBondContact O-CG 3.05Å; G467-K471 PolarHBondContact O-N 3.34Å |
| 468 | P | 96.4 | Very high | 94.6 | Very high | 16 Ų | 16 | 54.4 Ų | 54.4 | 10% | 0.104 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -51.2 | -45.9 | 170.4 | -30.7 | 35.1 | 0 | 0 | 0 | 114.5 | Y436 L464 K465 L470 K471 I472 | Y436-P468 HydrophobicContact CD2-CB 3.97Å; Y436-P468 HydrophobicContact CD2-CG 4.4Å; Y436-P468 HydrophobicContact CE2-CB 3.52Å; Y436-P468 HydrophobicContact CE2-CG 3.52Å; L464-P468 HydrophobicContact CD2-CB 4.27Å; K465-P468 HydrophobicContact CB-CG 4.22Å; K465-P468 VanDerWaalsContact O-CD 3.25Å; K465-P468 WeakPolarHBondContact O-CD 3.27Å; P468-L470 PolarHBondContact O-N 3.47Å; P468-K471 WeakPolarHBondContact O-CB 3.38Å; P468-K471 PolarHBondContact O-N 3.06Å; P468-I472 WeakPolarHBondContact O-CG1 3.4Å; P468-I472 PolarHBondContact O-N 3.47Å |
| 469 | A | 96.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | L458 L459 L464 K465 L466 G467 I472 R473 | L458-A469 HydrophobicContact CB-CB 3.89Å; L458-A469 HydrophobicContact CD1-CB 4.34Å; L459-A469 HydrophobicContact CD2-CB 4.28Å; L464-A469 HydrophobicContact CB-CB 4.18Å; L464-A469 HydrophobicContact CD2-CB 4.35Å; K465-A469 PolarHBondContact O-N 3.33Å; L466-A469 PolarHBondContact O-N 3.39Å; G467-A469 PolarHBondContact O-N 2.86Å; A469-I472 PolarHBondContact O-N 3.27Å; A469-R473 WeakPolarHBondContact O-CG 3.49Å; A469-R473 PolarHBondContact O-N 2.86Å |
| 470 | L | 95.9 | Very high | 93.7 | Very high | 60 Ų | 60 | 59 Ų | 59 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 176.3 | -70.5 | 172.6 | 0 | 0 | 0 | 112.5 | E455 L466 G467 P468 A474 Y485 | E455-L470 WeakPolarHBondContact OE2-CD2 3.35Å; L466-L470 HydrophobicContact CD1-CD1 3.9Å; L466-L470 HydrophobicContact CD1-CG 3.96Å; L466-L470 HydrophobicContact CD2-CD1 4.45Å; L466-L470 HydrophobicContact CG-CD1 3.79Å; L466-L470 HydrophobicContact CG-CG 4.27Å; L466-L470 WeakPolarHBondContact O-CB 3.48Å; L466-L470 VanDerWaalsContact O-CG 3.28Å; L466-L470 WeakPolarHBondContact O-CG 3.36Å; L466-L470 PolarHBondContact O-N 3.36Å; G467-L470 PolarHBondContact O-N 3.37Å; P468-L470 PolarHBondContact O-N 3.47Å; L470-A474 VanDerWaalsContact O-CB 3.23Å; L470-A474 WeakPolarHBondContact O-CB 3.49Å; L470-A474 PolarHBondContact O-N 2.98Å; L470-Y485 WeakPolarHBondContact CD2-OH 3.49Å |
| 471 | K | 95.6 | Very high | 92.7 | Very high | 90 Ų | 90 | 57 Ų | 57 | 39% | 0.391 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 175 | -80.9 | 177 | 173 | -177.6 | 0 | 111.7 | S431 G467 P468 A474 Q475 | S431-K471 PolarHBondContact O-NZ 3.47Å; G467-K471 WeakPolarHBondContact O-CB 3.4Å; G467-K471 WeakPolarHBondContact O-CG 3.05Å; G467-K471 PolarHBondContact O-N 3.34Å; P468-K471 WeakPolarHBondContact O-CB 3.38Å; P468-K471 PolarHBondContact O-N 3.06Å; K471-A474 PolarHBondContact O-N 3.46Å; K471-Q475 VanDerWaalsContact O-CG 3.28Å; K471-Q475 WeakPolarHBondContact O-CG 3.46Å; K471-Q475 PolarHBondContact O-N 2.97Å; K471-Q475 VanDerWaalsContact O-N 3.07Å |
| 472 | I | 95.4 | Very high | 91 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -51.7 | -179.5 | -66.5 | 164.5 | 0 | 0 | 0 | 109.7 | V427 L430 F440 L450 L464 P468 A469 A474 Q475 V476 | V427-I472 HydrophobicContact CG1-CD1 4.08Å; V427-I472 HydrophobicContact CG2-CD1 4.33Å; L430-I472 HydrophobicContact CD1-CG1 3.91Å; F440-I472 HydrophobicContact CE2-CD1 3.99Å; F440-I472 HydrophobicContact CZ-CD1 3.87Å; F440-I472 HydrophobicContact CZ-CG2 4.27Å; L450-I472 HydrophobicContact CD1-CG2 4.29Å; L464-I472 HydrophobicContact CD2-CD1 3.66Å; P468-I472 WeakPolarHBondContact O-CG1 3.4Å; P468-I472 PolarHBondContact O-N 3.47Å; A469-I472 PolarHBondContact O-N 3.27Å; I472-A474 VanDerWaalsContact C-N 3.32Å; I472-A474 PolarHBondContact O-N 2.74Å; I472-Q475 PolarHBondContact O-N 3.07Å; I472-Q475 VanDerWaalsContact O-N 3.15Å; I472-V476 HydrophobicContact CG2-CG2 4.25Å; I472-V476 WeakPolarHBondContact O-CG2 3.48Å; I472-V476 PolarHBondContact O-N 3.4Å |
| 473 | R | 93.9 | Very high | 88.7 | Confident | 80 Ų | 80 | 65.2 Ų | 65.2 | 30% | 0.302 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.1 | -43.5 | 178.3 | -68.7 | -178.8 | 76.6 | -130.3 | -8.3 | 112.7 | E455 L458 A469 A477 Y485 | E455-R473 IonicContact OE2-CZ 2.68Å; E455-R473 IonicContact OE2-NH1 3.18Å; E455-R473 PolarHBondContact OE2-NH1 3.46Å; L458-R473 HydrophobicContact CD1-CG 3.51Å; A469-R473 WeakPolarHBondContact O-CG 3.49Å; A469-R473 PolarHBondContact O-N 2.86Å; R473-A477 VanDerWaalsContact O-CB 3.31Å; R473-A477 WeakPolarHBondContact O-CB 3.42Å; R473-A477 PolarHBondContact O-N 3.14Å; R473-Y485 HydrophobicContact CB-CE2 4.21Å; R473-Y485 PolarHBondContact NH1-OH 2.9Å |
| 474 | A | 93 | Very high | 86.6 | Confident | 29 Ų | 29 | 70.7 Ų | 70.7 | 24% | 0.24 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L470 K471 I472 A477 R478 | L470-A474 VanDerWaalsContact O-CB 3.23Å; L470-A474 WeakPolarHBondContact O-CB 3.49Å; L470-A474 PolarHBondContact O-N 2.98Å; K471-A474 PolarHBondContact O-N 3.46Å; I472-A474 VanDerWaalsContact C-N 3.32Å; I472-A474 PolarHBondContact O-N 2.74Å; A474-A477 PolarHBondContact O-N 2.68Å; A474-R478 WeakPolarHBondContact O-CG 3.43Å; A474-R478 PolarHBondContact O-N 3.42Å |
| 475 | Q | 93.1 | Very high | 84.3 | Confident | 59 Ų | 59 | 75.3 Ų | 75.3 | 28% | 0.276 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.5 | -36.4 | 179.6 | -66.5 | -71.6 | 11.7 | 0 | 0 | 112.6 | F426 L430 K471 I472 R478 R479 | F426-Q475 HydrophobicContact CE2-CB 4.05Å; F426-Q475 HydrophobicContact CZ-CB 3.7Å; L430-Q475 HydrophobicContact CD1-CB 4.32Å; L430-Q475 HydrophobicContact CD1-CG 4.25Å; L430-Q475 HydrophobicContact CD2-CB 4.44Å; L430-Q475 HydrophobicContact CD2-CG 3.84Å; K471-Q475 VanDerWaalsContact O-CG 3.28Å; K471-Q475 WeakPolarHBondContact O-CG 3.46Å; K471-Q475 PolarHBondContact O-N 2.97Å; K471-Q475 VanDerWaalsContact O-N 3.07Å; I472-Q475 PolarHBondContact O-N 3.07Å; I472-Q475 VanDerWaalsContact O-N 3.15Å; Q475-R478 PolarHBondContact O-N 3.35Å; Q475-R479 PolarHBondContact O-N 3.49Å; Q475-R479 VanDerWaalsContact O-N 3.09Å |
| 476 | V | 93.3 | Very high | 81.9 | Confident | 9 Ų | 9 | 75.3 Ų | 75.3 | 6% | 0.055 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 171.4 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | F426 L450 I472 R478 R479 L480 | F426-V476 HydrophobicContact CE1-CG2 3.74Å; F426-V476 HydrophobicContact CZ-CG2 4.04Å; L450-V476 HydrophobicContact CD1-CG2 3.8Å; L450-V476 HydrophobicContact CD2-CG2 3.84Å; L450-V476 HydrophobicContact CG-CG1 4.34Å; L450-V476 HydrophobicContact CG-CG2 3.71Å; I472-V476 HydrophobicContact CG2-CG2 4.25Å; I472-V476 WeakPolarHBondContact O-CG2 3.48Å; I472-V476 PolarHBondContact O-N 3.4Å; V476-R478 VanDerWaalsContact C-N 3.32Å; V476-R478 PolarHBondContact O-N 2.93Å; V476-R479 PolarHBondContact O-N 3.24Å; V476-L480 HydrophobicContact CG1-CD1 3.64Å; V476-L480 HydrophobicContact CG1-CG 4.34Å; V476-L480 WeakPolarHBondContact O-CB 3.4Å; V476-L480 VanDerWaalsContact O-CG 3.31Å; V476-L480 WeakPolarHBondContact O-CG 3.42Å; V476-L480 PolarHBondContact O-N 3.37Å |
| 477 | A | 90.1 | Very high | 79.5 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | R473 A474 G481 R482 Y485 | R473-A477 VanDerWaalsContact O-CB 3.31Å; R473-A477 WeakPolarHBondContact O-CB 3.42Å; R473-A477 PolarHBondContact O-N 3.14Å; A474-A477 PolarHBondContact O-N 2.68Å; A477-G481 PolarHBondContact O-N 3.43Å; A477-R482 PolarHBondContact O-N 2.88Å; A477-Y485 HydrophobicContact CB-CD2 4.05Å |
| 478 | R | 88.8 | Confident | 77 | Confident | 185 Ų | 185 | 78 Ų | 78 | 70% | 0.698 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.9 | -46.9 | 173.6 | -74.8 | 177.1 | 76.1 | -128.4 | 1 | 112.2 | A474 Q475 V476 G481 | A474-R478 WeakPolarHBondContact O-CG 3.43Å; A474-R478 PolarHBondContact O-N 3.42Å; Q475-R478 PolarHBondContact O-N 3.35Å; V476-R478 VanDerWaalsContact C-N 3.32Å; V476-R478 PolarHBondContact O-N 2.93Å; R478-G481 PolarHBondContact O-N 2.9Å |
| 479 | R | 88.2 | Confident | 74 | Confident | 106 Ų | 106 | 86.7 Ų | 86.7 | 40% | 0.4 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | -179.9 | -74.2 | -178.4 | 172.2 | -93.8 | 6.7 | 112.7 | V415 Q475 V476 G481 | V415-R479 HydrophobicContact CG2-CB 3.68Å; Q475-R479 PolarHBondContact O-N 3.49Å; Q475-R479 VanDerWaalsContact O-N 3.09Å; V476-R479 PolarHBondContact O-N 3.24Å; R479-G481 PolarHBondContact O-N 2.98Å |
| 480 | L | 86.4 | Confident | 71.6 | Confident | 51 Ų | 51 | 92.5 Ų | 92.5 | 27% | 0.267 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -0.1 | 176.9 | -67.4 | 169.1 | 0 | 0 | 0 | 114.5 | V415 P451 V476 R482 | V415-L480 HydrophobicContact CB-CD2 3.86Å; V415-L480 HydrophobicContact CG1-CD2 4.48Å; V415-L480 HydrophobicContact CG2-CD2 4.07Å; V415-L480 HydrophobicContact CG2-CG 4.34Å; P451-L480 HydrophobicContact CB-CD1 3.74Å; P451-L480 HydrophobicContact CG-CD1 4Å; P451-L480 HydrophobicContact CG-CD2 4.15Å; V476-L480 HydrophobicContact CG1-CD1 3.64Å; V476-L480 HydrophobicContact CG1-CG 4.34Å; V476-L480 WeakPolarHBondContact O-CB 3.4Å; V476-L480 VanDerWaalsContact O-CG 3.31Å; V476-L480 WeakPolarHBondContact O-CG 3.42Å; V476-L480 PolarHBondContact O-N 3.37Å; L480-R482 HydrophobicContact CB-CG 4.2Å; L480-R482 PolarHBondContact O-N 2.95Å |
| 481 | G | 72.3 | Confident | 69 | Low | 61 Ų | 61 | 96 Ų | 96 | 63% | 0.629 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 8.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | A477 R478 R479 V483 | A477-G481 PolarHBondContact O-N 3.43Å; R478-G481 PolarHBondContact O-N 2.9Å; R479-G481 PolarHBondContact O-N 2.98Å; G481-V483 PolarHBondContact O-N 3.21Å |
| 482 | R | 57.8 | Low | 66.5 | Low | 162 Ų | 162 | 96.1 Ų | 96.1 | 61% | 0.611 | 52% | 0.521 | S | S | * | . | trans | -88.1 | 100.5 | -171.8 | -71.2 | -170 | -173.9 | -171.3 | 4.3 | 111.2 | A477 L480 F484 | A477-R482 PolarHBondContact O-N 2.88Å; L480-R482 HydrophobicContact CB-CG 4.2Å; L480-R482 PolarHBondContact O-N 2.95Å; R482-F484 HydrophobicContact CB-CD2 4.11Å; R482-F484 PolarHBondContact O-N 2.88Å | ||
| 483 | V | 46.2 | Very low | 63.9 | Low | 121 Ų | 121 | 103.4 Ų | 103.4 | 73% | 0.733 | 56% | 0.559 | S | S | * | * | trans | -72.4 | 69.6 | 175.7 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | G481 V486 | G481-V483 PolarHBondContact O-N 3.21Å; V483-V486 HydrophobicContact CG1-CG2 3.81Å | ||
| 484 | F | 49.8 | Very low | 61.3 | Low | 170 Ų | 170 | 105.3 Ų | 105.3 | 75% | 0.746 | 58% | 0.582 | S | S | * | * | trans | -115.9 | -2.1 | 171 | -71.8 | -60.9 | 0 | 0 | 0 | 113.7 | R482 V486 | R482-F484 HydrophobicContact CB-CD2 4.11Å; R482-F484 PolarHBondContact O-N 2.88Å; F484-V486 VanDerWaalsContact C-N 3.29Å; F484-V486 PolarHBondContact O-N 3.32Å | ||
| 485 | Y | 49.6 | Very low | 58.7 | Low | 104 Ų | 104 | 112.1 Ų | 112.1 | 41% | 0.408 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -90.9 | 30.7 | 176.8 | -114.8 | -78.4 | 0 | 0 | 0 | 114.3 | L470 R473 A477 | L470-Y485 WeakPolarHBondContact CD2-OH 3.49Å; R473-Y485 HydrophobicContact CB-CE2 4.21Å; R473-Y485 PolarHBondContact NH1-OH 2.9Å; A477-Y485 HydrophobicContact CB-CD2 4.05Å |
| 486 | V | 45.8 | Very low | 56 | Low | 126 Ų | 126 | 118.4 Ų | 118.4 | 76% | 0.764 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -133.3 | 49.6 | 170.3 | -74.7 | 0 | 0 | 0 | 0 | 111.3 | V483 F484 | V483-V486 HydrophobicContact CG1-CG2 3.81Å; F484-V486 VanDerWaalsContact C-N 3.29Å; F484-V486 PolarHBondContact O-N 3.32Å |
| 487 | A | 45.7 | Very low | 53.6 | Low | 75 Ų | 75 | 123.2 Ų | 123.2 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | trans | -130.4 | 150.4 | 166 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 488 | S | 43.5 | Very low | 51.4 | Low | 113 Ų | 113 | 128.3 Ų | 128.3 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 76.1 | 29.8 | 171.5 | -51 | 0 | 0 | 0 | 0 | 119.2 | ||
| 489 | F | 33.5 | Very low | 48.7 | Very low | 198 Ų | 198 | 126.2 Ų | 126.2 | 87% | 0.868 | 71% | 0.713 | S | S | * | * | trans | -137.4 | 105.2 | 150.2 | -81.9 | -70.7 | 0 | 0 | 0 | 111.4 | V491 | F489-V491 PolarHBondContact O-N 3.16Š| ||
| 490 | P | 45.7 | Very low | 45.9 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | trans | -73.9 | 117.9 | 168.3 | 29.8 | -31.1 | 0 | 0 | 0 | 109.5 | A492 | P490-A492 PolarHBondContact O-N 3.14Å; P490-A492 VanDerWaalsContact O-N 3.12Å | ||
| 491 | V | 41.9 | Very low | 43.4 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -70.3 | 106.7 | 173.6 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | F489 L493 | F489-V491 PolarHBondContact O-N 3.16Å; V491-L493 PolarHBondContact O-N 3.06Å | ||
| 492 | A | 43.6 | Very low | 41.4 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -73 | 122.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P490 | P490-A492 PolarHBondContact O-N 3.14Å; P490-A492 VanDerWaalsContact O-N 3.12Å |
| 493 | L | 40.2 | Very low | 40.9 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 138.9 | 170.8 | -74.6 | 167.1 | 0 | 0 | 0 | 110.4 | V491 L495 | V491-L493 PolarHBondContact O-N 3.06Å; L493-L495 PolarHBondContact O-N 3.07Å |
| 494 | P | 40 | Very low | 40.1 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 118.5 | 178.7 | 31 | -33 | 0 | 0 | 0 | 111.1 | ||
| 495 | L | 36.5 | Very low | 39.4 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -113.5 | 138.1 | 164.9 | -67.8 | 178.8 | 0 | 0 | 0 | 109.9 | L493 | L493-L495 PolarHBondContact O-N 3.07Š| ||
| 496 | Q | 37.1 | Very low | 38.3 | Very low | 192 Ų | 192 | 140 Ų | 140 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 170.9 | -171.6 | -99.9 | -164.3 | -1.3 | 0 | 0 | 112.9 | ||
| 497 | P | 42.6 | Very low | 37.6 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 172.1 | -147.5 | 34.4 | -38 | 0 | 0 | 0 | 116.1 | ||
| 498 | P | 44.6 | Very low | 36.8 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 155.8 | -159.7 | 36.7 | -36.9 | 0 | 0 | 0 | 116.4 | ||
| 499 | T | 31.6 | Very low | 36.1 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | -101.7 | 90.2 | 179.8 | -11.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 500 | L | 30.1 | Very low | 36 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | trans | 42 | 142.6 | 134.2 | -99.7 | 175.1 | 0 | 0 | 0 | 124.1 | ||||
| 501 | R | 32.7 | Very low | 35.3 | Very low | 214 Ų | 214 | 139.7 Ų | 139.7 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | 83.4 | 114.9 | 168.3 | -52 | -66.9 | 163.8 | 83.5 | -3.8 | 114.8 | ||||
| 502 | A | 32.1 | Very low | 34.8 | Very low | 89 Ų | 89 | 141.8 Ų | 141.8 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | cis | 79.2 | 156.8 | 24.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 503 | P | 46.1 | Very low | 34.9 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | cis | -128.2 | -172.6 | -9.3 | 41.8 | -26.2 | 0 | 0 | 0 | 113.4 | ||||
| 504 | E | 29.1 | Very low | 34.5 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | -172.3 | 135.8 | 119.7 | -101.3 | -168.2 | 123.9 | 0 | 0 | 114.7 | |||||
| 505 | R | 35.1 | Very low | 34 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | trans | 35.3 | 114.1 | 144.6 | -53.7 | -95.8 | 99.5 | 115.5 | -17 | 119.1 | ||||
| 506 | E | 27.4 | Very low | 34.8 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | 69.2 | 140.9 | 70.3 | -68.7 | -177.2 | 122.5 | 0 | 0 | 114.8 | |||||
| 507 | L | 30.9 | Very low | 34.5 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | cis | -170.4 | 147.7 | -15.7 | 177.5 | 66.3 | 0 | 0 | 0 | 109.4 | ||||
| 508 | G | 28.1 | Very low | 34 | Very low | 65 Ų | 65 | 136 Ų | 136 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | trans | 86.6 | 172.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 509 | T | 30.3 | Very low | 33.3 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | cis | -161.1 | 136.9 | -7.3 | -74.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 510 | G | 30.1 | Very low | 33.2 | Very low | 66 Ų | 66 | 134 Ų | 134 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | 64.5 | 172.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 511 | E | 31.9 | Very low | 33.1 | Very low | 198 Ų | 198 | 132.4 Ų | 132.4 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | cis | -155.5 | -170 | -26.3 | -136 | -174.9 | 115.7 | 0 | 0 | 110.3 | ||||
| 512 | Q | 31.6 | Very low | 33.7 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -103.5 | -168.5 | -164.9 | -128.6 | -157.5 | -51.1 | 0 | 0 | 114.1 | ||||
| 513 | P | 45 | Very low | 33.6 | Very low | 92 Ų | 92 | 135 Ų | 135 | 60% | 0.597 | 77% | 0.771 | S | S | * | * | -131.7 | -166.7 | -128.4 | 42.9 | -22 | 0 | 0 | 0 | 117.4 | |||||
| 514 | L | 32.2 | Very low | 32.9 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | 88 | 84 | 156 | -68 | 165.1 | 0 | 0 | 0 | 121.6 | ||||
| 515 | S | 29.6 | Very low | 32.9 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | 69.1 | -170.3 | 121.2 | -45.3 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 516 | P | 52.1 | Low | 32.7 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | -134 | 178.7 | -109.8 | 38.9 | -18.3 | 0 | 0 | 0 | 116.4 | |||||
| 517 | T | 30.5 | Very low | 32.9 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | 166.8 | 146.5 | 130.4 | -72.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 518 | T | 32.2 | Very low | 32.8 | Very low | 129 Ų | 129 | 122.3 Ų | 122.3 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -27.1 | 155.7 | 174.8 | 58.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 519 | A | 29.8 | Very low | 33 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | cis | -165.6 | -177.9 | 49.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 520 | T | 29.7 | Very low | 32.9 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | -52.2 | 166.3 | 167.7 | 14.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 521 | S | 28.5 | Very low | 32.8 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | cis | -155.8 | 170.5 | 21 | -127.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 522 | P | 45.9 | Very low | 32.7 | Very low | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | -89.4 | 161.4 | -172.8 | 36.5 | -35.4 | 0 | 0 | 0 | 114.8 | ||||
| 523 | Y | 30.4 | Very low | 32.6 | Very low | 240 Ų | 240 | 122.7 Ų | 122.7 | 94% | 0.941 | 79% | 0.79 | S | S | * | * | trans | -117.2 | 149.2 | 167.4 | -114.7 | -88.8 | 0 | 0 | 0 | 110.8 | ||||
| 524 | G | 29.7 | Very low | 31.9 | Very low | 68 Ų | 68 | 123.7 Ų | 123.7 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | trans | -153.6 | 160.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 525 | G | 30.1 | Very low | 32.9 | Very low | 83 Ų | 83 | 121.4 Ų | 121.4 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 75.1 | 94.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 526 | G | 30.8 | Very low | 33.1 | Very low | 74 Ų | 74 | 123.4 Ų | 123.4 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -94 | -177.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 527 | H | 32 | Very low | 32.5 | Very low | 198 Ų | 198 | 125.9 Ų | 125.9 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -145.2 | 163.6 | 175.4 | -92 | -93.1 | 0 | 0 | 0 | 112.2 | ||||
| 528 | A | 28.5 | Very low | 32.7 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 74.6 | 78.9 | 164 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 529 | L | 31.6 | Very low | 32.6 | Very low | 179 Ų | 179 | 126.4 Ų | 126.4 | 94% | 0.937 | 78% | 0.779 | S | S | * | * | 15.4 | 140.5 | 126.9 | -84 | 158.3 | 0 | 0 | 0 | 122.7 | |||||
| 530 | A | 29.6 | Very low | 32.9 | Very low | 100 Ų | 100 | 125 Ų | 125 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | 101.6 | 141.4 | 136.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 531 | G | 27 | Very low | 32.9 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 90.7 | 141.6 | 172 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 532 | Q | 29.8 | Very low | 33.2 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | 164.7 | 150.3 | -23.1 | -101.8 | -83.3 | 13.3 | 0 | 0 | 105.2 | ||||
| 533 | T | 29.5 | Very low | 32.7 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 61 | 130 | 160.8 | 49.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 534 | S | 30.8 | Very low | 33 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -85.6 | -167.9 | 153.7 | -149.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 535 | P | 52 | Low | 33.3 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | cis | -148.7 | -172.8 | 6.5 | 46 | -25.7 | 0 | 0 | 0 | 118.5 | ||||
| 536 | K | 35.7 | Very low | 34.1 | Very low | 150 Ų | 150 | 129 Ų | 129 | 65% | 0.652 | 78% | 0.78 | S | S | * | * | trans | 64.9 | 169.3 | 155 | -77.5 | 175.7 | 53 | 134.5 | 0 | 116.9 | E538 | K536-E538 VanDerWaalsContact CE-OE1 3.23Å; K536-E538 WeakPolarHBondContact CE-OE1 3.33Å; K536-E538 VanDerWaalsContact CE-OE2 3.31Å; K536-E538 WeakPolarHBondContact CE-OE2 3.46Å; K536-E538 IonicContact NZ-OE1 3.91Å; K536-E538 PolarHBondContact NZ-OE1 3.4Å; K536-E538 IonicContact NZ-OE2 2.73Å; K536-E538 PolarHBondContact NZ-OE2 3.45Å | ||
| 537 | Q | 37.6 | Very low | 34 | Very low | 167 Ų | 167 | 129.3 Ų | 129.3 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | cis | -136 | -176.4 | 11.6 | -88.3 | -162.8 | -78.9 | 0 | 0 | 111.6 | ||||
| 538 | E | 35.6 | Very low | 34.2 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 55% | 0.551 | 78% | 0.777 | S | S | * | * | cis | 175.9 | 159.2 | -40.2 | -162 | 147.6 | 55.4 | 0 | 0 | 110.1 | K536 | K536-E538 VanDerWaalsContact CE-OE1 3.23Å; K536-E538 WeakPolarHBondContact CE-OE1 3.33Å; K536-E538 VanDerWaalsContact CE-OE2 3.31Å; K536-E538 WeakPolarHBondContact CE-OE2 3.46Å; K536-E538 IonicContact NZ-OE1 3.91Å; K536-E538 PolarHBondContact NZ-OE1 3.4Å; K536-E538 IonicContact NZ-OE2 2.73Å; K536-E538 PolarHBondContact NZ-OE2 3.45Å | ||
| 539 | N | 31.1 | Very low | 35.3 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 65.4 | 157.1 | 177.3 | -102.1 | 0.1 | 0 | 0 | 0 | 118.7 | ||||
| 540 | G | 34.3 | Very low | 35.6 | Very low | 61 Ų | 61 | 124.1 Ų | 124.1 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | cis | 108.7 | 126.5 | -14.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 541 | T | 30.7 | Very low | 36.8 | Very low | 143 Ų | 143 | 124 Ų | 124 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | 160.3 | 162.3 | 144.4 | -70.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 542 | L | 34.7 | Very low | 37.2 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | trans | -122 | 142.3 | -167.8 | -173.6 | 178.1 | 0 | 0 | 0 | 110.4 | ||||
| 543 | A | 35.6 | Very low | 37.9 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -155.5 | 155.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 544 | L | 35.5 | Very low | 39.1 | Very low | 146 Ų | 146 | 124.6 Ų | 124.6 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | trans | -94.7 | 151.1 | -172.9 | -65.3 | 144.5 | 0 | 0 | 0 | 113.5 | ||||
| 545 | L | 36.3 | Very low | 39.6 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | 38 | 164.6 | 135.9 | -57.8 | 178.4 | 0 | 0 | 0 | 121.5 | ||||
| 546 | P | 46.8 | Very low | 39.3 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | cis | -131 | -173.7 | 1.8 | 43.1 | -27.4 | 0 | 0 | 0 | 114.5 | ||||
| 547 | G | 28.5 | Very low | 39.4 | Very low | 80 Ų | 80 | 130.5 Ų | 130.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 132.2 | 138.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 548 | A | 36.3 | Very low | 39.5 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -141.5 | -178.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 549 | P | 53.3 | Low | 39.7 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 75% | 0.747 | 81% | 0.81 | S | S | * | * | cis | -137.5 | 169.2 | -0.9 | 43.7 | -27.8 | 0 | 0 | 0 | 116.2 | ||||
| 550 | D | 37.6 | Very low | 40.3 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 55.7 | -177.1 | 149.9 | -121.5 | 18.7 | 0 | 0 | 0 | 118.6 | ||||
| 551 | P | 54 | Low | 40.6 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 64% | 0.636 | 82% | 0.821 | S | S | * | * | cis | -129 | 172.7 | -13.7 | 38.5 | -21.6 | 0 | 0 | 0 | 116.4 | ||||
| 552 | S | 36.6 | Very low | 41.3 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | trans | 57.8 | 119.6 | 147.1 | 60 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 553 | Q | 42.5 | Very low | 41.8 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | 26 | 146.1 | 121.4 | -80.2 | -170.6 | 4.3 | 0 | 0 | 120.3 | |||||
| 554 | P | 56.7 | Low | 42.2 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 66% | 0.662 | 82% | 0.818 | S | S | * | * | -157.6 | -171.3 | 56.6 | 45.1 | -24.5 | 0 | 0 | 0 | 118.4 | |||||
| 555 | L | 40.8 | Very low | 42.8 | Very low | 160 Ų | 160 | 130.9 Ų | 130.9 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | 70.3 | 140.4 | 161.7 | -63 | 173 | 0 | 0 | 0 | 117.5 | ||||
| 556 | C | 44.2 | Very low | 43.4 | Very low | 196 Ų | 196 | 128.3 Ų | 128.3 | 100% | 1.324 | 82% | 0.821 | S | S | * | * | cis | -123.9 | 0 | -3.4 | -78.8 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 556 of 556 residues in 241.9 ms
(Link to these results)