| 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 | 39.1 | Very low | 42.6 | Very low | 234 Ų | 234 | 139 Ų | 139 | 100% | 1.153 | 82% | 0.823 | S | S | * | * | 0 | 103.1 | 0 | -60.6 | 163.3 | -175.3 | 0 | 0 | 105.2 | |||||
| 2 | I | 40 | Very low | 42.9 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | cis | 77.8 | 124.1 | 46.3 | -58.8 | 179.4 | 0 | 0 | 0 | 112.5 | ||||
| 3 | L | 44 | Very low | 43.3 | Very low | 172 Ų | 172 | 139.9 Ų | 139.9 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | 65.9 | 147.9 | 168.6 | -69.7 | 158.4 | 0 | 0 | 0 | 117.2 | ||||
| 4 | G | 36.2 | Very low | 43.1 | Very low | 60 Ų | 60 | 140.6 Ų | 140.6 | 62% | 0.619 | 82% | 0.822 | S | S | * | * | cis | 178.3 | 129.9 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 5 | S | 45.7 | Very low | 43.1 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | 23.6 | 132.1 | 136.9 | -49.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 6 | L | 46.5 | Very low | 43 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | -175.9 | 114.7 | 125 | -99.4 | 133.2 | 0 | 0 | 0 | 108.2 | |||||
| 7 | S | 46.2 | Very low | 43.3 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | 73.9 | 147 | 96.6 | -68.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 8 | R | 43.3 | Very low | 43.2 | Very low | 237 Ų | 237 | 148.3 Ų | 148.3 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | cis | -177.2 | 149.2 | -0.7 | 159 | 180 | 176.6 | -173.8 | -1.3 | 105.8 | ||||
| 9 | A | 38.5 | Very low | 43.3 | Very low | 92 Ų | 92 | 147.1 Ų | 147.1 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | cis | -153.7 | -179.8 | 7.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 10 | G | 36.5 | Very low | 43.6 | Very low | 69 Ų | 69 | 147.7 Ų | 147.7 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -139.1 | 153.5 | 154.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 11 | P | 52.3 | Low | 43.8 | Very low | 129 Ų | 129 | 148.6 Ų | 148.6 | 84% | 0.838 | 83% | 0.825 | S | S | * | * | trans | -99.2 | 135.6 | -179.9 | 7.4 | 13.2 | 0 | 0 | 0 | 113.4 | ||||
| 12 | L | 46.2 | Very low | 43.9 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -96.3 | 153.6 | 156.1 | -67.8 | 174.2 | 0 | 0 | 0 | 109.1 | ||||
| 13 | P | 48.7 | Very low | 44.3 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | -140.5 | 172.2 | 108.4 | 38.3 | -27.1 | 0 | 0 | 0 | 111.4 | |||||
| 14 | L | 41 | Very low | 44.5 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | cis | 168.7 | 141.3 | -22.7 | -176.9 | 78.2 | 0 | 0 | 0 | 103.8 | ||||
| 15 | L | 43 | Very low | 44.9 | Very low | 161 Ų | 161 | 145 Ų | 145 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | 67.8 | 133.1 | -178.6 | -47.9 | -178.5 | 0 | 0 | 0 | 114.2 | ||||
| 16 | R | 40.3 | Very low | 44.6 | Very low | 244 Ų | 244 | 144 Ų | 144 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | -166.3 | 159.1 | 50.2 | -173.4 | 167.3 | 172.1 | 152.7 | -5.1 | 110.6 | |||||
| 17 | Q | 48.3 | Very low | 44.8 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 153.2 | -177.1 | -62.7 | 157.1 | -28.3 | 0 | 0 | 113.8 | ||
| 18 | P | 41.6 | Very low | 44.7 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 125 | 163.6 | 32.3 | -30.7 | 0 | 0 | 0 | 111.1 | ||
| 19 | P | 45.4 | Very low | 44.6 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -82 | 149.3 | 168.3 | 32.9 | -32.6 | 0 | 0 | 0 | 111.7 | ||
| 20 | I | 50.3 | Low | 44.8 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 142.2 | 174.8 | -71.5 | 169.3 | 0 | 0 | 0 | 110.1 | ||
| 21 | M | 46 | Very low | 45.1 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | trans | 58.2 | 121.6 | 167 | -74.1 | -174.2 | 76.1 | 0 | 0 | 120 | ||||
| 22 | Q | 42.8 | Very low | 44.5 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | -143.7 | 149.6 | 125.9 | -81.3 | -147.2 | -20.1 | 0 | 0 | 111.7 | |||||
| 23 | P | 48.1 | Very low | 43.9 | Very low | 93 Ų | 93 | 147.4 Ų | 147.4 | 60% | 0.604 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 169.9 | 176.6 | 33 | -35.4 | 0 | 0 | 0 | 112.9 | ||
| 24 | P | 47.8 | Very low | 43.7 | Very low | 129 Ų | 129 | 147.5 Ų | 147.5 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 152.7 | -160.5 | 28.6 | -36.6 | 0 | 0 | 0 | 115.4 | ||
| 25 | M | 43.5 | Very low | 43.9 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 131.7 | -176.4 | -59.8 | -70.2 | 94.2 | 0 | 0 | 113.7 | ||
| 26 | D | 41.3 | Very low | 43.7 | Very low | 95 Ų | 95 | 146.2 Ų | 146.2 | 51% | 0.508 | 76% | 0.755 | S | S | . | * | trans | 49.9 | 73.4 | 135.4 | -166 | -124.2 | 0 | 0 | 0 | 118.3 | K28 | D26-K28 PolarHBondContact O-N 3.47Å; D26-K28 WeakPolarHBondContact OD1-CD 3.32Å; D26-K28 VanDerWaalsContact OD1-CE 3.3Å; D26-K28 WeakPolarHBondContact OD1-CE 3.5Å; D26-K28 IonicContact OD1-NZ 3.73Å; D26-K28 PolarHBondContact OD1-NZ 3.11Å | ||
| 27 | L | 49.3 | Very low | 43.7 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | trans | -75.4 | 112.1 | 151.9 | -180 | 59.7 | 0 | 0 | 0 | 108.6 | Q29 | L27-Q29 PolarHBondContact O-N 3.33Å; L27-Q29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | K | 45.5 | Very low | 43.5 | Very low | 144 Ų | 144 | 135 Ų | 135 | 63% | 0.626 | 74% | 0.735 | S | S | * | * | trans | -47.9 | 116.9 | -175.5 | -84.1 | 56.6 | 176.8 | 159.8 | 0 | 111.7 | D26 I30 | D26-K28 PolarHBondContact O-N 3.47Å; D26-K28 WeakPolarHBondContact OD1-CD 3.32Å; D26-K28 VanDerWaalsContact OD1-CE 3.3Å; D26-K28 WeakPolarHBondContact OD1-CE 3.5Å; D26-K28 IonicContact OD1-NZ 3.73Å; D26-K28 PolarHBondContact OD1-NZ 3.11Å; K28-I30 PolarHBondContact O-N 3.4Å | ||
| 29 | Q | 39.9 | Very low | 43.7 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | -3.2 | 88.7 | 152.6 | -59.5 | 174.8 | 10.7 | 0 | 0 | 114.7 | L27 L31 | L27-Q29 PolarHBondContact O-N 3.33Å; L27-Q29 VanDerWaalsContact O-N 3.14Å; Q29-L31 PolarHBondContact O-N 3.07Å | ||
| 30 | I | 42.6 | Very low | 43.9 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 80% | 0.795 | 73% | 0.725 | S | S | * | * | trans | -73.4 | 110 | 155.9 | -60.2 | 170.8 | 0 | 0 | 0 | 105.2 | K28 P32 | K28-I30 PolarHBondContact O-N 3.4Å; I30-P32 WeakPolarHBondContact O-CD 3.38Å | ||
| 31 | L | 42.4 | Very low | 43.7 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 63% | 0.628 | 71% | 0.712 | S | S | * | * | trans | -47.9 | 120.9 | 176.3 | -72.5 | 164.9 | 0 | 0 | 0 | 110.2 | Q29 F33 | Q29-L31 PolarHBondContact O-N 3.07Å; L31-F33 HydrophobicContact CB-CD2 4.3Å; L31-F33 HydrophobicContact CB-CE2 4.31Å; L31-F33 PolarHBondContact O-N 3.41Å | ||
| 32 | P | 41.1 | Very low | 43.7 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | trans | -70.5 | 90 | 160.1 | 30.1 | -30 | 0 | 0 | 0 | 106.6 | I30 P34 | I30-P32 WeakPolarHBondContact O-CD 3.38Å; P32-P34 VanDerWaalsContact O-CD 3.26Å; P32-P34 WeakPolarHBondContact O-CD 3.39Å; P32-P34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | F | 33.7 | Very low | 44.4 | Very low | 162 Ų | 162 | 125.8 Ų | 125.8 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | -52.4 | 119.8 | 168.5 | -83.5 | -89.6 | 0 | 0 | 0 | 108 | L31 L35 | L31-F33 HydrophobicContact CB-CD2 4.3Å; L31-F33 HydrophobicContact CB-CE2 4.31Å; L31-F33 PolarHBondContact O-N 3.41Å; F33-L35 PolarHBondContact O-N 2.78Å | ||
| 34 | P | 44.6 | Very low | 44.4 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | trans | -72.9 | 84.6 | 168.1 | 1 | 15.9 | 0 | 0 | 0 | 106.1 | P32 E36 | P32-P34 VanDerWaalsContact O-CD 3.26Å; P32-P34 WeakPolarHBondContact O-CD 3.39Å; P32-P34 VanDerWaalsContact O-N 3.12Å; P34-E36 PolarHBondContact O-N 2.96Å | ||
| 35 | L | 43.8 | Very low | 44.8 | Very low | 152 Ų | 152 | 127 Ų | 127 | 80% | 0.796 | 71% | 0.711 | S | S | * | * | trans | -76.8 | 78.1 | 172.3 | -145 | 82 | 0 | 0 | 0 | 107.6 | F33 P37 | F33-L35 PolarHBondContact O-N 2.78Å; L35-P37 VanDerWaalsContact O-CD 3.23Å; L35-P37 WeakPolarHBondContact O-CD 3.41Å; L35-P37 VanDerWaalsContact O-N 3.09Å | ||
| 36 | E | 40.2 | Very low | 45.5 | Very low | 132 Ų | 132 | 124.7 Ų | 124.7 | 62% | 0.617 | 70% | 0.701 | S | S | * | * | trans | -46.3 | 109.9 | 170.5 | -135.3 | -68.1 | 121.4 | 0 | 0 | 108.3 | P34 A38 | P34-E36 PolarHBondContact O-N 2.96Å; E36-A38 PolarHBondContact O-N 2.77Å; E36-A38 WeakPolarHBondContact OE2-CA 3.5Å | ||
| 37 | P | 40.3 | Very low | 46.5 | Very low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | trans | -83.1 | 75.9 | 177.2 | 33.9 | -29.8 | 0 | 0 | 0 | 107.2 | L35 P39 | L35-P37 VanDerWaalsContact O-CD 3.23Å; L35-P37 WeakPolarHBondContact O-CD 3.41Å; L35-P37 VanDerWaalsContact O-N 3.09Å; P37-P39 WeakPolarHBondContact O-CD 3.3Å | ||
| 38 | A | 42.9 | Very low | 46.9 | Very low | 74 Ų | 74 | 122.9 Ų | 122.9 | 61% | 0.612 | 69% | 0.692 | S | S | * | * | trans | -44.9 | 107.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | E36 T40 | E36-A38 PolarHBondContact O-N 2.77Å; E36-A38 WeakPolarHBondContact OE2-CA 3.5Å; A38-T40 PolarHBondContact O-N 3.22Å | ||
| 39 | P | 46.1 | Very low | 47.9 | Very low | 89 Ų | 89 | 121 Ų | 121 | 58% | 0.578 | 69% | 0.693 | S | S | * | * | trans | -76.2 | 124.5 | -174.2 | 28.3 | -31.1 | 0 | 0 | 0 | 107.9 | P37 L41 | P37-P39 WeakPolarHBondContact O-CD 3.3Å; P39-L41 PolarHBondContact O-N 3.42Å | ||
| 40 | T | 49.6 | Very low | 49.5 | Very low | 132 Ų | 132 | 115 Ų | 115 | 81% | 0.81 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -72.9 | 65.4 | 167.6 | 55.7 | 0 | 0 | 0 | 0 | 110 | A38 | A38-T40 PolarHBondContact O-N 3.22Š|
| 41 | L | 46.6 | Very low | 51.1 | Low | 103 Ų | 103 | 111.7 Ų | 111.7 | 54% | 0.539 | 65% | 0.649 | S | S | . | * | trans | -139.6 | 75.1 | 169.9 | -73.2 | -179.5 | 0 | 0 | 0 | 107.5 | P39 L43 | P39-L41 PolarHBondContact O-N 3.42Å; L41-L43 PolarHBondContact O-N 3.04Å | ||
| 42 | G | 46.2 | Very low | 52.7 | Low | 88 Ų | 88 | 110.6 Ų | 110.6 | 91% | 0.907 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 47.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 43 | L | 57.5 | Low | 54.3 | Low | 138 Ų | 138 | 109.7 Ų | 109.7 | 72% | 0.723 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | -20.1 | 179.2 | -91.1 | 161.8 | 0 | 0 | 0 | 113 | L41 | L41-L43 PolarHBondContact O-N 3.04Š|
| 44 | F | 47.6 | Very low | 56 | Low | 127 Ų | 127 | 107.1 Ų | 107.1 | 56% | 0.557 | 63% | 0.632 | S | S | * | * | trans | -142.1 | 92.9 | 172.5 | -59.8 | -73.3 | 0 | 0 | 0 | 111.3 | N46 Y47 | F44-N46 PolarHBondContact O-N 2.85Å; F44-Y47 PolarHBondContact O-N 3Å | ||
| 45 | S | 57 | Low | 57.5 | Low | 122 Ų | 122 | 103.8 Ų | 103.8 | 85% | 0.853 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 6.6 | -175.2 | -43.2 | 0 | 0 | 0 | 0 | 115.9 | ||
| 46 | N | 58 | Low | 58.7 | Low | 100 Ų | 100 | 99.5 Ų | 99.5 | 54% | 0.535 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -140.5 | 27.9 | -172.1 | -90.1 | -66.8 | 0 | 0 | 0 | 113.4 | F44 S48 T49 M50 | F44-N46 PolarHBondContact O-N 2.85Å; N46-S48 PolarHBondContact O-N 3.19Å; N46-T49 WeakPolarHBondContact CB-OG1 2.81Å; N46-T49 PolarHBondContact O-N 3.46Å; N46-T49 PolarHBondContact O-OG1 2.76Å; N46-T49 PolarHBondContact OD1-OG1 3.46Å; N46-M50 PolarHBondContact O-N 2.94Å |
| 47 | Y | 62 | Low | 60.4 | Low | 121 Ų | 121 | 97 Ų | 97 | 48% | 0.475 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.2 | -32.3 | 176.5 | -174.2 | -103.2 | 0 | 0 | 0 | 112.9 | F44 T49 K55 | F44-Y47 PolarHBondContact O-N 3Å; Y47-T49 PolarHBondContact O-N 3.11Å; Y47-K55 HydrophobicContact CE2-CG 3.95Å; Y47-K55 WeakPolarHBondContact O-CE 3.38Å; Y47-K55 PolarHBondContact O-NZ 3.37Å |
| 48 | S | 58.3 | Low | 61.8 | Low | 99 Ų | 99 | 94.2 Ų | 94.2 | 69% | 0.692 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -38.6 | -179.8 | -153.6 | 0 | 0 | 0 | 0 | 112.6 | N46 K55 | N46-S48 PolarHBondContact O-N 3.19Å; S48-K55 PolarHBondContact O-NZ 3.39Å |
| 49 | T | 66.2 | Low | 62.9 | Low | 104 Ų | 104 | 94.1 Ų | 94.1 | 64% | 0.638 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -7.6 | -176 | 47.9 | 0 | 0 | 0 | 0 | 114.9 | N46 Y47 | N46-T49 WeakPolarHBondContact CB-OG1 2.81Å; N46-T49 PolarHBondContact O-N 3.46Å; N46-T49 PolarHBondContact O-OG1 2.76Å; N46-T49 PolarHBondContact OD1-OG1 3.46Å; Y47-T49 PolarHBondContact O-N 3.11Å |
| 50 | M | 73.1 | Confident | 63.7 | Low | 49 Ų | 49 | 97.9 Ų | 97.9 | 24% | 0.241 | 57% | 0.567 | C | S | . | * | S | Bend | trans | -67.7 | 145.6 | 178.2 | -78 | -173.1 | 167.3 | 0 | 0 | 113.8 | N46 K55 L58 | N46-M50 PolarHBondContact O-N 2.94Å; M50-K55 HydrophobicContact CB-CD 4.5Å; M50-K55 HydrophobicContact CB-CG 4.03Å; M50-K55 WeakPolarHBondContact O-CD 3.14Å; M50-K55 WeakPolarHBondContact O-CE 3.18Å; M50-K55 PolarHBondContact O-NZ 2.93Å; M50-L58 HydrophobicContact SD-CD2 4.25Å |
| 51 | D | 75.7 | Confident | 64.4 | Low | 84 Ų | 84 | 96.1 Ų | 96.1 | 45% | 0.449 | 56% | 0.557 | S | S | . | * | trans | -60.2 | 146.8 | 174.8 | -178 | -89 | 0 | 0 | 0 | 112.1 | V53 Q54 K55 | D51-V53 PolarHBondContact O-N 2.84Å; D51-V53 VanDerWaalsContact OD1-CB 3.28Å; D51-V53 WeakPolarHBondContact OD1-CB 3.38Å; D51-V53 WeakPolarHBondContact OD1-CG2 3.42Å; D51-V53 PolarHBondContact OD1-N 2.92Å; D51-Q54 HydrophobicContact CB-CG 4.48Å; D51-Q54 PolarHBondContact O-N 2.71Å; D51-Q54 VanDerWaalsContact O-N 3.12Å; D51-K55 PolarHBondContact O-N 3.33Å | ||
| 52 | P | 76.9 | Confident | 65.2 | Low | 98 Ų | 98 | 98.7 Ų | 98.7 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -55 | -33.1 | 179.1 | -27.1 | 36.7 | 0 | 0 | 0 | 114.4 | A56 | P52-A56 WeakPolarHBondContact O-CB 3.2Å; P52-A56 PolarHBondContact O-N 3.26Å |
| 53 | V | 74.2 | Confident | 65.7 | Low | 99 Ų | 99 | 97 Ų | 97 | 60% | 0.6 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72.2 | -42.1 | 178.4 | -175 | 0 | 0 | 0 | 0 | 110.6 | D51 K55 A56 V57 | D51-V53 PolarHBondContact O-N 2.84Å; D51-V53 VanDerWaalsContact OD1-CB 3.28Å; D51-V53 WeakPolarHBondContact OD1-CB 3.38Å; D51-V53 WeakPolarHBondContact OD1-CG2 3.42Å; D51-V53 PolarHBondContact OD1-N 2.92Å; V53-K55 VanDerWaalsContact C-N 3.34Å; V53-K55 PolarHBondContact O-N 2.98Å; V53-A56 PolarHBondContact O-N 2.92Å; V53-V57 WeakPolarHBondContact O-CG2 3.5Å; V53-V57 PolarHBondContact O-N 3.45Å |
| 54 | Q | 69.3 | Low | 65.7 | Low | 108 Ų | 108 | 92.2 Ų | 92.2 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -39.3 | 174 | -72.1 | -176.1 | -58.9 | 0 | 0 | 111.9 | D51 V57 L58 | D51-Q54 HydrophobicContact CB-CG 4.48Å; D51-Q54 PolarHBondContact O-N 2.71Å; D51-Q54 VanDerWaalsContact O-N 3.12Å; Q54-V57 PolarHBondContact O-N 3.32Å; Q54-L58 PolarHBondContact O-N 3.45Å |
| 55 | K | 76.5 | Confident | 65.8 | Low | 53 Ų | 53 | 90.2 Ų | 90.2 | 23% | 0.23 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 172.6 | -76.4 | 168.6 | 171.7 | 148.4 | 0 | 112.1 | Y47 S48 M50 D51 V53 S59 | Y47-K55 HydrophobicContact CE2-CG 3.95Å; Y47-K55 WeakPolarHBondContact O-CE 3.38Å; Y47-K55 PolarHBondContact O-NZ 3.37Å; S48-K55 PolarHBondContact O-NZ 3.39Å; M50-K55 HydrophobicContact CB-CD 4.5Å; M50-K55 HydrophobicContact CB-CG 4.03Å; M50-K55 WeakPolarHBondContact O-CD 3.14Å; M50-K55 WeakPolarHBondContact O-CE 3.18Å; M50-K55 PolarHBondContact O-NZ 2.93Å; D51-K55 PolarHBondContact O-N 3.33Å; V53-K55 VanDerWaalsContact C-N 3.34Å; V53-K55 PolarHBondContact O-N 2.98Å; K55-S59 VanDerWaalsContact O-CB 3.3Å; K55-S59 WeakPolarHBondContact O-CB 3.43Å; K55-S59 PolarHBondContact O-N 3.28Å |
| 56 | A | 68.8 | Low | 65.5 | Low | 61 Ų | 61 | 92 Ų | 92 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P52 V53 S59 H60 | P52-A56 WeakPolarHBondContact O-CB 3.2Å; P52-A56 PolarHBondContact O-N 3.26Å; V53-A56 PolarHBondContact O-N 2.92Å; A56-S59 PolarHBondContact O-N 3.23Å; A56-H60 WeakPolarHBondContact O-CB 3.28Å; A56-H60 PolarHBondContact O-N 3.03Å |
| 57 | V | 75.2 | Confident | 65.2 | Low | 79 Ų | 79 | 93.2 Ų | 93.2 | 48% | 0.479 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 176.4 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | V53 Q54 S59 H60 T61 | V53-V57 WeakPolarHBondContact O-CG2 3.5Å; V53-V57 PolarHBondContact O-N 3.45Å; Q54-V57 PolarHBondContact O-N 3.32Å; V57-S59 VanDerWaalsContact C-N 3.32Å; V57-S59 PolarHBondContact O-N 3.46Å; V57-H60 PolarHBondContact O-N 2.96Å; V57-T61 WeakPolarHBondContact O-CB 3.43Å; V57-T61 PolarHBondContact O-N 3.12Å; V57-T61 PolarHBondContact O-OG1 2.97Å; V57-T61 VanDerWaalsContact O-OG1 3.11Å |
| 58 | L | 69.9 | Low | 64.8 | Low | 50 Ų | 50 | 96.8 Ų | 96.8 | 26% | 0.262 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.3 | -41.2 | 176.7 | -101.1 | 65.4 | 0 | 0 | 0 | 112.3 | M50 Q54 H60 F62 | M50-L58 HydrophobicContact SD-CD2 4.25Å; Q54-L58 PolarHBondContact O-N 3.45Å; L58-H60 VanDerWaalsContact C-N 3.32Å; L58-H60 PolarHBondContact O-N 3.48Å; L58-F62 HydrophobicContact CG-CD2 4.32Å; L58-F62 WeakPolarHBondContact O-CB 3.33Å; L58-F62 PolarHBondContact O-N 3.28Å |
| 59 | S | 65.3 | Low | 64.5 | Low | 72 Ų | 72 | 98.1 Ų | 98.1 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.7 | -38 | 177.1 | -171.3 | 0 | 0 | 0 | 0 | 112.6 | K55 A56 V57 G63 | K55-S59 VanDerWaalsContact O-CB 3.3Å; K55-S59 WeakPolarHBondContact O-CB 3.43Å; K55-S59 PolarHBondContact O-N 3.28Å; A56-S59 PolarHBondContact O-N 3.23Å; V57-S59 VanDerWaalsContact C-N 3.32Å; V57-S59 PolarHBondContact O-N 3.46Å; S59-G63 PolarHBondContact O-N 2.88Å |
| 60 | H | 63.5 | Low | 64.1 | Low | 168 Ų | 168 | 103 Ų | 103 | 78% | 0.778 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -78.8 | -37.5 | 180 | -167.3 | -84.9 | 0 | 0 | 0 | 112.9 | A56 V57 L58 | A56-H60 WeakPolarHBondContact O-CB 3.28Å; A56-H60 PolarHBondContact O-N 3.03Å; V57-H60 PolarHBondContact O-N 2.96Å; L58-H60 VanDerWaalsContact C-N 3.32Å; L58-H60 PolarHBondContact O-N 3.48Å |
| 61 | T | 65.3 | Low | 63.6 | Low | 95 Ų | 95 | 108.4 Ų | 108.4 | 58% | 0.583 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -78.1 | -38.6 | -178.3 | -60.6 | 0 | 0 | 0 | 0 | 113 | V57 | V57-T61 WeakPolarHBondContact O-CB 3.43Å; V57-T61 PolarHBondContact O-N 3.12Å; V57-T61 PolarHBondContact O-OG1 2.97Å; V57-T61 VanDerWaalsContact O-OG1 3.11Å |
| 62 | F | 62.6 | Low | 63.1 | Low | 157 Ų | 157 | 109.7 Ų | 109.7 | 69% | 0.689 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -98.1 | -1.5 | -175.7 | -72.8 | -78.2 | 0 | 0 | 0 | 114.9 | L58 | L58-F62 HydrophobicContact CG-CD2 4.32Å; L58-F62 WeakPolarHBondContact O-CB 3.33Å; L58-F62 PolarHBondContact O-N 3.28Å |
| 63 | G | 57.8 | Low | 62.8 | Low | 52 Ų | 52 | 107.9 Ų | 107.9 | 54% | 0.536 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 55.7 | 69.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S59 | S59-G63 PolarHBondContact O-N 2.88Š|
| 64 | G | 56.7 | Low | 63.3 | Low | 38 Ų | 38 | 105.7 Ų | 105.7 | 39% | 0.392 | 57% | 0.572 | S | S | . | * | trans | -33.7 | 129 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L66 | G64-L66 WeakPolarHBondContact O-CD2 3.23Å; G64-L66 PolarHBondContact O-N 2.72Å | ||
| 65 | P | 49.1 | Very low | 64.4 | Low | 85 Ų | 85 | 103.2 Ų | 103.2 | 55% | 0.552 | 57% | 0.566 | S | S | * | * | trans | -50.8 | 124.3 | -162.6 | -30.2 | 34.1 | 0 | 0 | 0 | 114.1 | L67 | P65-L67 HydrophobicContact CB-CD1 4.29Å; P65-L67 HydrophobicContact CB-CG 3.89Å; P65-L67 PolarHBondContact O-N 2.97Å | ||
| 66 | L | 50.2 | Low | 65.2 | Low | 161 Ų | 161 | 100.7 Ų | 100.7 | 84% | 0.843 | 56% | 0.555 | S | S | * | * | trans | -70.6 | 38.6 | 169.8 | -83.2 | -70.2 | 0 | 0 | 0 | 111.6 | G64 K68 | G64-L66 WeakPolarHBondContact O-CD2 3.23Å; G64-L66 PolarHBondContact O-N 2.72Å; L66-K68 PolarHBondContact O-N 2.82Å | ||
| 67 | L | 52.5 | Low | 66.2 | Low | 124 Ų | 124 | 104.3 Ų | 104.3 | 65% | 0.649 | 57% | 0.566 | S | S | * | * | trans | -63 | 104.2 | 164.5 | -67.5 | -177.8 | 0 | 0 | 0 | 106.8 | P65 T69 | P65-L67 HydrophobicContact CB-CD1 4.29Å; P65-L67 HydrophobicContact CB-CG 3.89Å; P65-L67 PolarHBondContact O-N 2.97Å; L67-T69 VanDerWaalsContact C-N 3.3Å; L67-T69 PolarHBondContact O-N 2.75Å | ||
| 68 | K | 53.3 | Low | 67 | Low | 197 Ų | 197 | 102.9 Ų | 102.9 | 86% | 0.857 | 56% | 0.558 | S | S | * | * | trans | -42.8 | 92.9 | 175.1 | -65.6 | 158.5 | -176.7 | 166.8 | 0 | 109.2 | L66 K70 | L66-K68 PolarHBondContact O-N 2.82Å; K68-K70 PolarHBondContact O-N 3.18Å | ||
| 69 | T | 51.6 | Low | 67.9 | Low | 127 Ų | 127 | 101.2 Ų | 101.2 | 78% | 0.779 | 55% | 0.55 | S | S | * | . | trans | -60 | 112 | 174.9 | 51.5 | 0 | 0 | 0 | 0 | 105 | L67 R71 | L67-T69 VanDerWaalsContact C-N 3.3Å; L67-T69 PolarHBondContact O-N 2.75Å; T69-R71 PolarHBondContact O-N 2.8Å | ||
| 70 | K | 58.1 | Low | 69.2 | Low | 205 Ų | 205 | 105.9 Ų | 105.9 | 89% | 0.891 | 56% | 0.564 | S | S | * | * | trans | -63.3 | 94.2 | 178.5 | -77.7 | 178.5 | 178.4 | 172.5 | 0 | 105.5 | K68 P72 | K68-K70 PolarHBondContact O-N 3.18Å; K70-P72 VanDerWaalsContact O-N 3.1Å | ||
| 71 | R | 63.6 | Low | 70.4 | Confident | 164 Ų | 164 | 101 Ų | 101 | 62% | 0.619 | 54% | 0.543 | S | S | * | . | trans | -44.2 | 122.2 | -176.7 | -67.3 | -178.7 | -176.7 | 161.7 | 0.8 | 107 | T69 V73 N84 | T69-R71 PolarHBondContact O-N 2.8Å; R71-V73 WeakPolarHBondContact O-CG2 3.23Å; R71-V73 PolarHBondContact O-N 2.99Å; R71-N84 PolarHBondContact NH1-OD1 3.48Å | ||
| 72 | P | 65.4 | Low | 71.7 | Confident | 110 Ų | 110 | 105.3 Ų | 105.3 | 71% | 0.714 | 55% | 0.548 | S | S | * | . | trans | -57.4 | 111.4 | -172.1 | 20.9 | -32 | 0 | 0 | 0 | 108.1 | K70 I74 | K70-P72 VanDerWaalsContact O-N 3.1Å; P72-I74 VanDerWaalsContact C-N 3.27Å; P72-I74 PolarHBondContact O-N 2.96Å | ||
| 73 | V | 70.3 | Confident | 73.1 | Confident | 60 Ų | 60 | 98.8 Ų | 98.8 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | trans | -83.7 | 80.1 | -168.4 | -161.7 | 0 | 0 | 0 | 0 | 108.5 | R71 S75 R82 F83 | R71-V73 WeakPolarHBondContact O-CG2 3.23Å; R71-V73 PolarHBondContact O-N 2.99Å; V73-S75 PolarHBondContact O-N 2.73Å; V73-R82 HydrophobicContact CB-CG 4.41Å; V73-R82 HydrophobicContact CG1-CG 3.34Å; V73-F83 VanDerWaalsContact CG1-O 3.23Å; V73-F83 WeakPolarHBondContact CG1-O 3.35Å | ||
| 74 | I | 85.3 | Confident | 74.6 | Confident | 54 Ų | 54 | 101 Ų | 101 | 28% | 0.277 | 52% | 0.519 | S | S | . | . | trans | -59.2 | 124.6 | -176.2 | -61.5 | 155.6 | 0 | 0 | 0 | 109.2 | P72 F83 Q86 A89 Y93 | P72-I74 VanDerWaalsContact C-N 3.27Å; P72-I74 PolarHBondContact O-N 2.96Å; I74-F83 WeakPolarHBondContact O-CB 3.02Å; I74-F83 WeakPolarHBondContact O-CD2 3.32Å; I74-F83 PolarHBondContact O-N 2.89Å; I74-Q86 HydrophobicContact CD1-CB 3.93Å; I74-Q86 HydrophobicContact CD1-CG 4.26Å; I74-A89 HydrophobicContact CB-CB 4.06Å; I74-A89 HydrophobicContact CD1-CB 4.46Å; I74-A89 HydrophobicContact CG2-CB 3.55Å; I74-Y93 HydrophobicContact CG2-CE2 4.37Å | ||
| 75 | S | 90.8 | Very high | 76.2 | Confident | 55 Ų | 55 | 101.2 Ų | 101.2 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144 | 179.4 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | V73 I81 Y93 | V73-S75 PolarHBondContact O-N 2.73Å; S75-I81 CarbonylContact C-O 3.55Å; S75-I81 VanDerWaalsContact CA-O 3.31Å; S75-I81 WeakPolarHBondContact CA-O 3.39Å; S75-Y93 PolarHBondContact O-OH 2.77Å; S75-Y93 VanDerWaalsContact O-OH 3.12Å |
| 76 | C | 93.9 | Very high | 78.2 | Confident | 1 Ų | 1 | 103 Ų | 103 | 1% | 0.007 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 110.5 | 174.9 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | V78 C79 Q80 I81 F83 H92 Y93 H98 | C76-V78 VanDerWaalsContact C-N 3.31Å; C76-V78 PolarHBondContact O-N 3.01Å; C76-C79 HydrophobicContact CB-CB 4.47Å; C76-C79 PolarHBondContact O-N 3.21Å; C76-Q80 VanDerWaalsContact O-CA 3.24Å; C76-Q80 WeakPolarHBondContact O-CA 2.85Å; C76-Q80 PolarHBondContact O-N 3.49Å; C76-I81 PolarHBondContact N-O 3.41Å; C76-I81 PolarHBondContact O-N 2.87Å; C76-F83 HydrophobicContact CB-CE2 4.19Å; C76-H92 PolarHBondContact SG-NE2 2.78Å; C76-H92 VanDerWaalsContact SG-NE2 3.39Å; C76-Y93 WeakPolarHBondContact CA-OH 3.08Å; C76-Y93 HydrophobicContact CB-CE1 3.96Å; C76-H98 PolarHBondContact SG-CE1 3.24Å; C76-H98 PolarHBondContact SG-ND1 3.26Å; C76-H98 VanDerWaalsContact SG-ND1 3.39Å |
| 77 | N | 90.8 | Very high | 80.2 | Confident | 137 Ų | 137 | 98.9 Ų | 98.9 | 73% | 0.733 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -32.4 | -179 | -63.5 | -18.3 | 0 | 0 | 0 | 112.9 | ||
| 78 | V | 91.1 | Very high | 82 | Confident | 49 Ų | 49 | 98 Ų | 98 | 30% | 0.297 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -42.7 | 178.9 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | C76 R101 V102 I105 | C76-V78 VanDerWaalsContact C-N 3.31Å; C76-V78 PolarHBondContact O-N 3.01Å; V78-R101 HydrophobicContact CG1-CB 4.43Å; V78-R101 HydrophobicContact CG1-CG 4.04Å; V78-R101 VanDerWaalsContact O-CZ 3.25Å; V78-R101 PolarHBondContact O-NE 3.39Å; V78-R101 PolarHBondContact O-NH2 3Å; V78-R101 VanDerWaalsContact O-NH2 3.1Å; V78-V102 HydrophobicContact CG1-CG2 3.88Å; V78-V102 HydrophobicContact CG2-CG2 4.27Å; V78-I105 HydrophobicContact CG1-CD1 3.7Å |
| 79 | C | 89.9 | Confident | 84 | Confident | 15 Ų | 15 | 88.7 Ų | 88.7 | 10% | 0.101 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -10.6 | -176.8 | -65 | 0 | 0 | 0 | 0 | 113.8 | C76 I81 H92 | C76-C79 HydrophobicContact CB-CB 4.47Å; C76-C79 PolarHBondContact O-N 3.21Å; C79-I81 VanDerWaalsContact C-N 3.25Å; C79-I81 HydrophobicContact CB-CD1 3.96Å; C79-I81 HydrophobicContact CB-CG1 3.88Å; C79-I81 PolarHBondContact O-N 2.98Å; C79-H92 VanDerWaalsContact SG-CE1 3.51Å; C79-H92 PolarHBondContact SG-NE2 3.08Å; C79-H92 VanDerWaalsContact SG-NE2 3.42Å |
| 80 | Q | 91.3 | Very high | 86 | Confident | 170 Ų | 170 | 87.6 Ų | 87.6 | 79% | 0.794 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 37 | -170.7 | -59.3 | -179.1 | 6 | 0 | 0 | 113.6 | C76 | C76-Q80 VanDerWaalsContact O-CA 3.24Å; C76-Q80 WeakPolarHBondContact O-CA 2.85Å; C76-Q80 PolarHBondContact O-N 3.49Å |
| 81 | I | 90.1 | Very high | 87.7 | Confident | 65 Ų | 65 | 81.1 Ų | 81.1 | 33% | 0.333 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 136.5 | 179 | -53.8 | 178.9 | 0 | 0 | 0 | 109.5 | S75 C76 C79 F83 | S75-I81 CarbonylContact C-O 3.55Å; S75-I81 VanDerWaalsContact CA-O 3.31Å; S75-I81 WeakPolarHBondContact CA-O 3.39Å; C76-I81 PolarHBondContact N-O 3.41Å; C76-I81 PolarHBondContact O-N 2.87Å; C79-I81 VanDerWaalsContact C-N 3.25Å; C79-I81 HydrophobicContact CB-CD1 3.96Å; C79-I81 HydrophobicContact CB-CG1 3.88Å; C79-I81 PolarHBondContact O-N 2.98Å; I81-F83 HydrophobicContact CB-CE1 4.48Å; I81-F83 HydrophobicContact CB-CE2 4.14Å; I81-F83 HydrophobicContact CB-CZ 3.79Å; I81-F83 HydrophobicContact CG2-CD1 4.32Å; I81-F83 HydrophobicContact CG2-CE1 3.58Å; I81-F83 HydrophobicContact CG2-CE2 4.01Å; I81-F83 HydrophobicContact CG2-CZ 3.37Å |
| 82 | R | 92.1 | Very high | 89.3 | Confident | 185 Ų | 185 | 74.5 Ų | 74.5 | 70% | 0.698 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.4 | -177.8 | -171.2 | 170.1 | -151.4 | -168.9 | 6.7 | 110.2 | V73 | V73-R82 HydrophobicContact CB-CG 4.41Å; V73-R82 HydrophobicContact CG1-CG 3.34Å |
| 83 | F | 92.1 | Very high | 90.7 | Very high | 21 Ų | 21 | 74 Ų | 74 | 9% | 0.092 | 38% | 0.384 | C | S | . | . | trans | -109.3 | 141.5 | -172.8 | -58.7 | -74.7 | 0 | 0 | 0 | 112.1 | V73 I74 C76 I81 Q88 A89 H92 | V73-F83 VanDerWaalsContact CG1-O 3.23Å; V73-F83 WeakPolarHBondContact CG1-O 3.35Å; I74-F83 WeakPolarHBondContact O-CB 3.02Å; I74-F83 WeakPolarHBondContact O-CD2 3.32Å; I74-F83 PolarHBondContact O-N 2.89Å; C76-F83 HydrophobicContact CB-CE2 4.19Å; I81-F83 HydrophobicContact CB-CE1 4.48Å; I81-F83 HydrophobicContact CB-CE2 4.14Å; I81-F83 HydrophobicContact CB-CZ 3.79Å; I81-F83 HydrophobicContact CG2-CD1 4.32Å; I81-F83 HydrophobicContact CG2-CE1 3.58Å; I81-F83 HydrophobicContact CG2-CE2 4.01Å; I81-F83 HydrophobicContact CG2-CZ 3.37Å; F83-Q88 HydrophobicContact CB-CB 4.31Å; F83-Q88 HydrophobicContact CD1-CB 3.81Å; F83-Q88 HydrophobicContact CG-CB 4.35Å; F83-A89 HydrophobicContact CB-CB 4.13Å; F83-A89 HydrophobicContact CD2-CB 3.74Å; F83-A89 HydrophobicContact CE2-CB 4.48Å; F83-A89 HydrophobicContact CG-CB 4.03Å; F83-H92 HydrophobicContact CE1-CB 3.94Å; F83-H92 HydrophobicContact CE2-CB 3.9Å; F83-H92 AromaticContact CE2-CD2 3.86Å; F83-H92 AromaticContact CE2-CG 3.83Å; F83-H92 HydrophobicContact CZ-CB 3.37Å; F83-H92 AromaticContact CZ-CD2 3.78Å; F83-H92 AromaticContact CZ-CG 3.31Å; F83-H92 AromaticContact CZ-ND1 3.71Å | ||
| 84 | N | 88.8 | Confident | 91.9 | Very high | 98 Ų | 98 | 80.7 Ų | 80.7 | 52% | 0.524 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -87.3 | -13.8 | 176 | -166 | -98.9 | 0 | 0 | 0 | 113.2 | R71 | R71-N84 PolarHBondContact NH1-OD1 3.48Š|
| 85 | S | 90 | Very high | 92.4 | Very high | 42 Ų | 42 | 79.1 Ų | 79.1 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -135.5 | 142 | -178.6 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | S87 Q88 A89 | S85-S87 VanDerWaalsContact C-N 3.32Å; S85-S87 PolarHBondContact O-N 2.84Å; S85-S87 PolarHBondContact OG-N 2.87Å; S85-S87 PolarHBondContact OG-OG 3.41Å; S85-Q88 PolarHBondContact O-N 3.29Å; S85-Q88 VanDerWaalsContact O-N 3.15Å; S85-A89 PolarHBondContact O-N 2.6Å |
| 86 | Q | 91.2 | Very high | 92.6 | Very high | 124 Ų | 124 | 81.7 Ų | 81.7 | 58% | 0.579 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -55.7 | -44.5 | 172.8 | 177.1 | 175.2 | -21.8 | 0 | 0 | 112 | I74 Q88 A89 E90 | I74-Q86 HydrophobicContact CD1-CB 3.93Å; I74-Q86 HydrophobicContact CD1-CG 4.26Å; Q86-Q88 PolarHBondContact O-N 2.89Å; Q86-A89 WeakPolarHBondContact O-CA 3.48Å; Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 3.17Å; Q86-E90 HydrophobicContact CG-CG 4.28Å; Q86-E90 VanDerWaalsContact CG-OE1 3.26Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.3Å; Q86-E90 PolarHBondContact NE2-OE1 3.31Å; Q86-E90 WeakPolarHBondContact O-CG 3.44Å; Q86-E90 PolarHBondContact O-N 2.9Å |
| 87 | S | 92.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 91.6 Ų | 91.6 | 52% | 0.517 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.4 | -29.3 | 178.4 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | S85 A91 | S85-S87 VanDerWaalsContact C-N 3.32Å; S85-S87 PolarHBondContact O-N 2.84Å; S85-S87 PolarHBondContact OG-N 2.87Å; S85-S87 PolarHBondContact OG-OG 3.41Å; S87-A91 VanDerWaalsContact O-CB 3.3Å; S87-A91 WeakPolarHBondContact O-CB 3.37Å; S87-A91 PolarHBondContact O-N 2.87Å; S87-A91 VanDerWaalsContact O-N 3.17Å |
| 88 | Q | 91 | Very high | 92.8 | Very high | 105 Ų | 105 | 86 Ų | 86 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -76 | -36.7 | 174.6 | -65.3 | 175.9 | 30 | 0 | 0 | 111.6 | F83 S85 Q86 H92 | F83-Q88 HydrophobicContact CB-CB 4.31Å; F83-Q88 HydrophobicContact CD1-CB 3.81Å; F83-Q88 HydrophobicContact CG-CB 4.35Å; S85-Q88 PolarHBondContact O-N 3.29Å; S85-Q88 VanDerWaalsContact O-N 3.15Å; Q86-Q88 PolarHBondContact O-N 2.89Å; Q88-H92 WeakPolarHBondContact O-CB 3.17Å; Q88-H92 PolarHBondContact O-N 2.82Å |
| 89 | A | 93.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 86.1 Ų | 86.1 | 2% | 0.017 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | I74 F83 S85 Q86 A91 H92 Y93 | I74-A89 HydrophobicContact CB-CB 4.06Å; I74-A89 HydrophobicContact CD1-CB 4.46Å; I74-A89 HydrophobicContact CG2-CB 3.55Å; F83-A89 HydrophobicContact CB-CB 4.13Å; F83-A89 HydrophobicContact CD2-CB 3.74Å; F83-A89 HydrophobicContact CE2-CB 4.48Å; F83-A89 HydrophobicContact CG-CB 4.03Å; S85-A89 PolarHBondContact O-N 2.6Å; Q86-A89 WeakPolarHBondContact O-CA 3.48Å; Q86-A89 WeakPolarHBondContact O-CB 3.43Å; Q86-A89 PolarHBondContact O-N 3.17Å; A89-A91 PolarHBondContact O-N 2.85Å; A89-H92 WeakPolarHBondContact O-CA 3.14Å; A89-H92 WeakPolarHBondContact O-CB 3.45Å; A89-H92 PolarHBondContact O-N 3.18Å; A89-H92 VanDerWaalsContact O-N 3.11Å; A89-Y93 HydrophobicContact CB-CD2 4.41Å; A89-Y93 HydrophobicContact CB-CE2 4.19Å; A89-Y93 WeakPolarHBondContact O-CD2 3.28Å; A89-Y93 PolarHBondContact O-N 2.82Å |
| 90 | E | 93.5 | Very high | 93.2 | Very high | 103 Ų | 103 | 93.9 Ų | 93.9 | 48% | 0.481 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 176.6 | -71 | 170.2 | 179 | 0 | 0 | 112 | Q86 H92 Y93 K94 | Q86-E90 HydrophobicContact CG-CG 4.28Å; Q86-E90 VanDerWaalsContact CG-OE1 3.26Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.3Å; Q86-E90 PolarHBondContact NE2-OE1 3.31Å; Q86-E90 WeakPolarHBondContact O-CG 3.44Å; Q86-E90 PolarHBondContact O-N 2.9Å; E90-H92 PolarHBondContact O-N 3.4Å; E90-Y93 PolarHBondContact O-N 2.76Å; E90-K94 WeakPolarHBondContact O-CB 3.24Å; E90-K94 PolarHBondContact O-N 3.34Å |
| 91 | A | 95.3 | Very high | 93.2 | Very high | 69 Ų | 69 | 91.5 Ų | 91.5 | 57% | 0.57 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.5 | -31.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | S87 A89 G95 | S87-A91 VanDerWaalsContact O-CB 3.3Å; S87-A91 WeakPolarHBondContact O-CB 3.37Å; S87-A91 PolarHBondContact O-N 2.87Å; S87-A91 VanDerWaalsContact O-N 3.17Å; A89-A91 PolarHBondContact O-N 2.85Å; A91-G95 PolarHBondContact O-N 2.93Å |
| 92 | H | 95.9 | Very high | 93.4 | Very high | 25 Ų | 25 | 90.3 Ų | 90.3 | 12% | 0.116 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -70.3 | -50.9 | 173 | 174.7 | 79.9 | 0 | 0 | 0 | 112.2 | C76 C79 F83 Q88 A89 E90 K94 G95 H98 | C76-H92 PolarHBondContact SG-NE2 2.78Å; C76-H92 VanDerWaalsContact SG-NE2 3.39Å; C79-H92 VanDerWaalsContact SG-CE1 3.51Å; C79-H92 PolarHBondContact SG-NE2 3.08Å; C79-H92 VanDerWaalsContact SG-NE2 3.42Å; F83-H92 HydrophobicContact CE1-CB 3.94Å; F83-H92 HydrophobicContact CE2-CB 3.9Å; F83-H92 AromaticContact CE2-CD2 3.86Å; F83-H92 AromaticContact CE2-CG 3.83Å; F83-H92 HydrophobicContact CZ-CB 3.37Å; F83-H92 AromaticContact CZ-CD2 3.78Å; F83-H92 AromaticContact CZ-CG 3.31Å; F83-H92 AromaticContact CZ-ND1 3.71Å; Q88-H92 WeakPolarHBondContact O-CB 3.17Å; Q88-H92 PolarHBondContact O-N 2.82Å; A89-H92 WeakPolarHBondContact O-CA 3.14Å; A89-H92 WeakPolarHBondContact O-CB 3.45Å; A89-H92 PolarHBondContact O-N 3.18Å; A89-H92 VanDerWaalsContact O-N 3.11Å; E90-H92 PolarHBondContact O-N 3.4Å; H92-K94 VanDerWaalsContact C-N 3.34Å; H92-K94 PolarHBondContact O-N 3.3Å; H92-G95 WeakPolarHBondContact O-CA 3.31Å; H92-G95 PolarHBondContact O-N 2.84Å; H92-H98 AromaticContact CD2-ND1 3.72Å; H92-H98 AromaticContact NE2-CG 3.84Å; H92-H98 AromaticContact NE2-ND1 3.18Å; H92-H98 PolarHBondContact NE2-ND1 3.49Å; H92-H98 VanDerWaalsContact NE2-ND1 3.18Å; H92-H98 WeakPolarHBondContact O-CB 3.44Å |
| 93 | Y | 95.3 | Very high | 93.5 | Very high | 99 Ų | 99 | 89.1 Ų | 89.1 | 39% | 0.388 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | -178.5 | -73.2 | -61.8 | 0 | 0 | 0 | 112.2 | I74 S75 C76 A89 E90 G95 H98 | I74-Y93 HydrophobicContact CG2-CE2 4.37Å; S75-Y93 PolarHBondContact O-OH 2.77Å; S75-Y93 VanDerWaalsContact O-OH 3.12Å; C76-Y93 WeakPolarHBondContact CA-OH 3.08Å; C76-Y93 HydrophobicContact CB-CE1 3.96Å; A89-Y93 HydrophobicContact CB-CD2 4.41Å; A89-Y93 HydrophobicContact CB-CE2 4.19Å; A89-Y93 WeakPolarHBondContact O-CD2 3.28Å; A89-Y93 PolarHBondContact O-N 2.82Å; E90-Y93 PolarHBondContact O-N 2.76Å; Y93-G95 PolarHBondContact O-N 3.45Å; Y93-H98 AromaticContact CD1-CE1 3.67Å; Y93-H98 AromaticContact CD1-NE2 3.65Å; Y93-H98 AromaticContact CE1-CE1 3.9Å; Y93-H98 PolarHBondContact O-CD2 3.05Å |
| 94 | K | 95.1 | Very high | 93.5 | Very high | 202 Ų | 202 | 90.3 Ų | 90.3 | 88% | 0.878 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -3.3 | 173.2 | -159.7 | 171.8 | -177.8 | 176.6 | 0 | 113.4 | E90 H92 | E90-K94 WeakPolarHBondContact O-CB 3.24Å; E90-K94 PolarHBondContact O-N 3.34Å; H92-K94 VanDerWaalsContact C-N 3.34Å; H92-K94 PolarHBondContact O-N 3.3Å |
| 95 | G | 95.7 | Very high | 93.6 | Very high | 21 Ų | 21 | 89.5 Ų | 89.5 | 22% | 0.216 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -80.5 | 137.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A91 H92 Y93 R97 H98 A99 | A91-G95 PolarHBondContact O-N 2.93Å; H92-G95 WeakPolarHBondContact O-CA 3.31Å; H92-G95 PolarHBondContact O-N 2.84Å; Y93-G95 PolarHBondContact O-N 3.45Å; G95-R97 PolarHBondContact O-N 3.45Å; G95-H98 WeakPolarHBondContact O-CB 3.44Å; G95-H98 PolarHBondContact O-N 2.65Å; G95-A99 PolarHBondContact O-N 3.45Å; G95-A99 VanDerWaalsContact O-N 3.17Å |
| 96 | N | 95.9 | Very high | 93.4 | Very high | 109 Ų | 109 | 93 Ų | 93 | 58% | 0.583 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.6 | -25.1 | -180 | -157.6 | -0.8 | 0 | 0 | 0 | 113.4 | R100 | N96-R100 VanDerWaalsContact O-CG 3.24Å; N96-R100 WeakPolarHBondContact O-CG 3.43Å; N96-R100 PolarHBondContact O-N 3.23Å |
| 97 | R | 92.4 | Very high | 93 | Very high | 208 Ų | 208 | 90 Ų | 90 | 79% | 0.785 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -68.7 | -39.5 | 173.8 | -171.9 | -176.4 | -70.4 | -179.5 | -2.1 | 112.3 | G95 R101 | G95-R97 PolarHBondContact O-N 3.45Å; R97-R101 PolarHBondContact O-N 3.06Å |
| 98 | H | 95.8 | Very high | 92.4 | Very high | 20 Ų | 20 | 89.5 Ų | 89.5 | 9% | 0.093 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -69.5 | -50.7 | 176.8 | -179.5 | 82.7 | 0 | 0 | 0 | 110.2 | C76 H92 Y93 G95 R100 R101 V102 | C76-H98 PolarHBondContact SG-CE1 3.24Å; C76-H98 PolarHBondContact SG-ND1 3.26Å; C76-H98 VanDerWaalsContact SG-ND1 3.39Å; H92-H98 AromaticContact CD2-ND1 3.72Å; H92-H98 AromaticContact NE2-CG 3.84Å; H92-H98 AromaticContact NE2-ND1 3.18Å; H92-H98 PolarHBondContact NE2-ND1 3.49Å; H92-H98 VanDerWaalsContact NE2-ND1 3.18Å; H92-H98 WeakPolarHBondContact O-CB 3.44Å; Y93-H98 AromaticContact CD1-CE1 3.67Å; Y93-H98 AromaticContact CD1-NE2 3.65Å; Y93-H98 AromaticContact CE1-CE1 3.9Å; Y93-H98 PolarHBondContact O-CD2 3.05Å; G95-H98 WeakPolarHBondContact O-CB 3.44Å; G95-H98 PolarHBondContact O-N 2.65Å; H98-R100 VanDerWaalsContact C-N 3.33Å; H98-R100 PolarHBondContact O-N 3.36Å; H98-R101 PolarHBondContact O-N 2.78Å; H98-V102 VanDerWaalsContact NE2-CG2 3.34Å; H98-V102 WeakPolarHBondContact NE2-CG2 3.26Å; H98-V102 WeakPolarHBondContact O-CG2 3.47Å; H98-V102 PolarHBondContact O-N 3.24Å |
| 99 | A | 94.4 | Very high | 91.6 | Very high | 52 Ų | 52 | 92.3 Ų | 92.3 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -54.2 | -43 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G95 R101 K103 | G95-A99 PolarHBondContact O-N 3.45Å; G95-A99 VanDerWaalsContact O-N 3.17Å; A99-R101 VanDerWaalsContact C-N 3.35Å; A99-R101 PolarHBondContact O-N 2.83Å; A99-K103 WeakPolarHBondContact O-CB 3.47Å; A99-K103 PolarHBondContact O-N 3.19Å |
| 100 | R | 94.5 | Very high | 90.2 | Very high | 177 Ų | 177 | 97.9 Ų | 97.9 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -37.9 | 175.2 | -73 | 173.2 | -172.7 | -154 | -0.8 | 113.1 | N96 H98 G104 | N96-R100 VanDerWaalsContact O-CG 3.24Å; N96-R100 WeakPolarHBondContact O-CG 3.43Å; N96-R100 PolarHBondContact O-N 3.23Å; H98-R100 VanDerWaalsContact C-N 3.33Å; H98-R100 PolarHBondContact O-N 3.36Å; R100-G104 PolarHBondContact O-N 3.15Å |
| 101 | R | 92.9 | Very high | 88.6 | Confident | 121 Ų | 121 | 103.9 Ų | 103.9 | 46% | 0.457 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -74.4 | -40 | -179.8 | -170.6 | 166.1 | 168.1 | 151.7 | -7.1 | 111.6 | V78 R97 H98 A99 G104 I105 | V78-R101 HydrophobicContact CG1-CB 4.43Å; V78-R101 HydrophobicContact CG1-CG 4.04Å; V78-R101 VanDerWaalsContact O-CZ 3.25Å; V78-R101 PolarHBondContact O-NE 3.39Å; V78-R101 PolarHBondContact O-NH2 3Å; V78-R101 VanDerWaalsContact O-NH2 3.1Å; R97-R101 PolarHBondContact O-N 3.06Å; H98-R101 PolarHBondContact O-N 2.78Å; A99-R101 VanDerWaalsContact C-N 3.35Å; A99-R101 PolarHBondContact O-N 2.83Å; R101-G104 PolarHBondContact O-N 3.37Å; R101-I105 HydrophobicContact CG-CD1 3.88Å; R101-I105 WeakPolarHBondContact O-CD1 3.26Å; R101-I105 VanDerWaalsContact O-CG1 3.3Å; R101-I105 WeakPolarHBondContact O-CG1 3.38Å; R101-I105 PolarHBondContact O-N 3.38Å |
| 102 | V | 94.1 | Very high | 87 | Confident | 39 Ų | 39 | 103.9 Ų | 103.9 | 24% | 0.236 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -56.7 | -56.8 | 171 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | V78 H98 G104 I105 E106 | V78-V102 HydrophobicContact CG1-CG2 3.88Å; V78-V102 HydrophobicContact CG2-CG2 4.27Å; H98-V102 VanDerWaalsContact NE2-CG2 3.34Å; H98-V102 WeakPolarHBondContact NE2-CG2 3.26Å; H98-V102 WeakPolarHBondContact O-CG2 3.47Å; H98-V102 PolarHBondContact O-N 3.24Å; V102-G104 VanDerWaalsContact C-N 3.28Å; V102-G104 PolarHBondContact O-N 2.86Å; V102-I105 PolarHBondContact O-N 3.12Å; V102-E106 HydrophobicContact CG1-CG 4.3Å; V102-E106 WeakPolarHBondContact O-CG 3.17Å; V102-E106 PolarHBondContact O-N 2.89Å |
| 103 | K | 93.4 | Very high | 84.8 | Confident | 161 Ų | 161 | 113.4 Ų | 113.4 | 70% | 0.7 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.1 | -35.4 | -178.8 | -171.5 | 168.9 | -176 | 171.3 | 0 | 113.6 | A99 A107 | A99-K103 WeakPolarHBondContact O-CB 3.47Å; A99-K103 PolarHBondContact O-N 3.19Å; K103-A107 WeakPolarHBondContact O-CB 3.4Å; K103-A107 PolarHBondContact O-N 3.4Å; K103-A107 VanDerWaalsContact O-N 3.1Å |
| 104 | G | 92.9 | Very high | 82.3 | Confident | 45 Ų | 45 | 116.9 Ų | 116.9 | 46% | 0.464 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.7 | -37.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R100 R101 V102 A108 | R100-G104 PolarHBondContact O-N 3.15Å; R101-G104 PolarHBondContact O-N 3.37Å; V102-G104 VanDerWaalsContact C-N 3.28Å; V102-G104 PolarHBondContact O-N 2.86Å; G104-A108 PolarHBondContact O-N 2.83Å |
| 105 | I | 89.1 | Confident | 79.8 | Confident | 81 Ų | 81 | 112.3 Ų | 112.3 | 42% | 0.415 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.5 | -39.1 | 177 | -70.1 | 161.8 | 0 | 0 | 0 | 110.8 | V78 R101 V102 A108 K109 | V78-I105 HydrophobicContact CG1-CD1 3.7Å; R101-I105 HydrophobicContact CG-CD1 3.88Å; R101-I105 WeakPolarHBondContact O-CD1 3.26Å; R101-I105 VanDerWaalsContact O-CG1 3.3Å; R101-I105 WeakPolarHBondContact O-CG1 3.38Å; R101-I105 PolarHBondContact O-N 3.38Å; V102-I105 PolarHBondContact O-N 3.12Å; I105-A108 PolarHBondContact O-N 2.79Å; I105-K109 VanDerWaalsContact O-CB 3.31Å; I105-K109 WeakPolarHBondContact O-CB 3.45Å; I105-K109 PolarHBondContact O-N 3.46Å |
| 106 | E | 87.3 | Confident | 77 | Confident | 117 Ų | 117 | 116.4 Ų | 116.4 | 55% | 0.547 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61 | -45.6 | 174.2 | -69.2 | 172 | 138.9 | 0 | 0 | 111.3 | V102 A108 K109 T110 | V102-E106 HydrophobicContact CG1-CG 4.3Å; V102-E106 WeakPolarHBondContact O-CG 3.17Å; V102-E106 PolarHBondContact O-N 2.89Å; E106-A108 VanDerWaalsContact C-N 3.26Å; E106-A108 PolarHBondContact O-N 3.26Å; E106-K109 PolarHBondContact O-N 2.79Å; E106-T110 PolarHBondContact O-N 3.31Å; E106-T110 PolarHBondContact O-OG1 3.42Å |
| 107 | A | 82.8 | Confident | 74.6 | Confident | 60 Ų | 60 | 117.3 Ų | 117.3 | 50% | 0.496 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.4 | -22.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K103 T110 | K103-A107 WeakPolarHBondContact O-CB 3.4Å; K103-A107 PolarHBondContact O-N 3.4Å; K103-A107 VanDerWaalsContact O-N 3.1Å; A107-T110 PolarHBondContact O-OG1 2.78Å |
| 108 | A | 79.1 | Confident | 72.1 | Confident | 64 Ų | 64 | 118 Ų | 118 | 53% | 0.529 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -83.2 | -38.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G104 I105 E106 T110 R111 | G104-A108 PolarHBondContact O-N 2.83Å; I105-A108 PolarHBondContact O-N 2.79Å; E106-A108 VanDerWaalsContact C-N 3.26Å; E106-A108 PolarHBondContact O-N 3.26Å; A108-T110 VanDerWaalsContact C-N 3.31Å; A108-T110 PolarHBondContact O-N 3.21Å; A108-R111 PolarHBondContact O-N 3.24Å; A108-R111 VanDerWaalsContact O-N 3.17Å |
| 109 | K | 74.9 | Confident | 69.2 | Low | 163 Ų | 163 | 125.9 Ų | 125.9 | 71% | 0.709 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.3 | -25.3 | -175.7 | -167 | 162.3 | -176.7 | 174.3 | 0 | 113.3 | I105 E106 R111 | I105-K109 VanDerWaalsContact O-CB 3.31Å; I105-K109 WeakPolarHBondContact O-CB 3.45Å; I105-K109 PolarHBondContact O-N 3.46Å; E106-K109 PolarHBondContact O-N 2.79Å; K109-R111 PolarHBondContact O-N 3.45Å |
| 110 | T | 63.3 | Low | 67 | Low | 119 Ų | 119 | 129 Ų | 129 | 73% | 0.73 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -11.9 | 172.7 | 52 | 0 | 0 | 0 | 0 | 114.4 | E106 A107 A108 | E106-T110 PolarHBondContact O-N 3.31Å; E106-T110 PolarHBondContact O-OG1 3.42Å; A107-T110 PolarHBondContact O-OG1 2.78Å; A108-T110 VanDerWaalsContact C-N 3.31Å; A108-T110 PolarHBondContact O-N 3.21Å |
| 111 | R | 61 | Low | 64.2 | Low | 229 Ų | 229 | 125.4 Ų | 125.4 | 86% | 0.864 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 1.8 | 177.1 | -64.7 | -174.1 | 174.7 | -164 | -4 | 114.3 | A108 K109 | A108-R111 PolarHBondContact O-N 3.24Å; A108-R111 VanDerWaalsContact O-N 3.17Å; K109-R111 PolarHBondContact O-N 3.45Å |
| 112 | G | 60.2 | Low | 62 | Low | 69 Ų | 69 | 126.7 Ų | 126.7 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -130.7 | 22.4 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 113 | R | 50.7 | Low | 59.9 | Low | 226 Ų | 226 | 130.5 Ų | 130.5 | 85% | 0.853 | 71% | 0.712 | S | S | * | * | trans | -125.8 | 63.8 | 176.7 | -162.1 | -173.9 | -176 | -132.8 | 0.2 | 111.8 | ||||
| 114 | E | 43.1 | Very low | 57.1 | Low | 172 Ų | 172 | 126.7 Ų | 126.7 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | trans | -64 | 133.5 | 154.1 | -72 | -58.2 | 116.6 | 0 | 0 | 108.9 | S116 | E114-S116 PolarHBondContact O-N 3.35Å; E114-S116 VanDerWaalsContact O-N 3.11Å | ||
| 115 | P | 42.5 | Very low | 55.5 | Low | 105 Ų | 105 | 130.4 Ų | 130.4 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | trans | -79 | 95.1 | 179.1 | 31.5 | -32.6 | 0 | 0 | 0 | 110.2 | V117 | P115-V117 VanDerWaalsContact C-N 3.32Å; P115-V117 PolarHBondContact O-N 3.43Å | ||
| 116 | S | 36.8 | Very low | 52.7 | Low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -65.7 | 91.8 | 167.3 | 175.5 | 0 | 0 | 0 | 0 | 110.2 | E114 R118 | E114-S116 PolarHBondContact O-N 3.35Å; E114-S116 VanDerWaalsContact O-N 3.11Å; S116-R118 PolarHBondContact O-N 3.32Å; S116-R118 VanDerWaalsContact O-N 3.12Å | ||
| 117 | V | 45.9 | Very low | 50 | Low | 128 Ų | 128 | 129 Ų | 129 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -58.9 | 109.7 | 164.2 | 173.9 | 0 | 0 | 0 | 0 | 108.6 | P115 | P115-V117 VanDerWaalsContact C-N 3.32Å; P115-V117 PolarHBondContact O-N 3.43Å | ||
| 118 | R | 38.5 | Very low | 47.6 | Very low | 223 Ų | 223 | 131.9 Ų | 131.9 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | trans | -141.8 | 92.9 | 152.4 | -71 | -159.9 | 175.8 | 175.4 | -0.2 | 108.9 | S116 | S116-R118 PolarHBondContact O-N 3.32Å; S116-R118 VanDerWaalsContact O-N 3.12Å | ||
| 119 | E | 35.7 | Very low | 45.5 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -61.2 | 152 | 165.3 | -171.6 | 147.2 | 60.9 | 0 | 0 | 110.2 | ||||
| 120 | S | 49.1 | Very low | 44.3 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -125.8 | 121 | 179 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 121 | A | 35.9 | Very low | 43.6 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -152.7 | 129.8 | 165 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 122 | D | 45.3 | Very low | 42.2 | Very low | 149 Ų | 149 | 127.3 Ų | 127.3 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -72.5 | 175.9 | 180 | -119 | -114.3 | 0 | 0 | 0 | 112 | ||||
| 123 | P | 50.7 | Low | 40.9 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | cis | -153.1 | 154.2 | 42.5 | 40.6 | -17 | 0 | 0 | 0 | 122.7 | ||||
| 124 | A | 35 | Very low | 40 | Very low | 82 Ų | 82 | 124.9 Ų | 124.9 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | 76.1 | 176.9 | 138.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 125 | P | 58.1 | Low | 39.6 | Very low | 122 Ų | 122 | 120 Ų | 120 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | -139.3 | -166.8 | -91.6 | 43.7 | -24.3 | 0 | 0 | 0 | 116.8 | |||||
| 126 | A | 31.8 | Very low | 39.3 | Very low | 106 Ų | 106 | 122.2 Ų | 122.2 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | 83.2 | 143.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 127 | G | 28.8 | Very low | 39.3 | Very low | 63 Ų | 63 | 121 Ų | 121 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | cis | 173.9 | 161.6 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 128 | S | 32.9 | Very low | 39.2 | Very low | 121 Ų | 121 | 121 Ų | 121 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | 63.6 | 145.1 | 167.9 | -48.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 129 | T | 35.8 | Very low | 39.2 | Very low | 127 Ų | 127 | 121.2 Ų | 121.2 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | cis | -166.6 | 153.8 | -5.4 | 14.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 130 | P | 48.9 | Very low | 40.3 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -83.6 | -178.4 | 165.1 | 39 | -36.1 | 0 | 0 | 0 | 110.8 | ||||
| 131 | P | 49.2 | Very low | 39.4 | Very low | 110 Ų | 110 | 118.4 Ų | 118.4 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | cis | -145.3 | -171.8 | 18.3 | 45.1 | -25 | 0 | 0 | 0 | 118.2 | ||||
| 132 | S | 32 | Very low | 39.2 | Very low | 124 Ų | 124 | 118 Ų | 118 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | 77.9 | 134.5 | 152.5 | -64.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 133 | G | 31.2 | Very low | 38.9 | Very low | 74 Ų | 74 | 119.4 Ų | 119.4 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | 159.8 | 98.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 134 | D | 33.3 | Very low | 38.1 | Very low | 171 Ų | 171 | 122.9 Ų | 122.9 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -67.8 | 160.2 | -168.7 | -60.5 | -101.6 | 0 | 0 | 0 | 116.2 | ||||
| 135 | G | 34.1 | Very low | 38.1 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 135 | 113.2 | 139 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 136 | V | 35.2 | Very low | 36.7 | Very low | 152 Ų | 152 | 123.7 Ų | 123.7 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | 75 | 115.9 | 148.8 | -174.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 137 | A | 38.2 | Very low | 36.9 | Very low | 81 Ų | 81 | 127.4 Ų | 127.4 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | -84.8 | 168.2 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 138 | P | 43.1 | Very low | 37 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | -141.5 | 172.4 | 78.2 | 32.7 | -13.6 | 0 | 0 | 0 | 115.8 | |||||
| 139 | R | 38.4 | Very low | 37.5 | Very low | 226 Ų | 226 | 128.3 Ų | 128.3 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -96.2 | -158.5 | 172.5 | -49.5 | 176.5 | 81.4 | -127 | 10.5 | 109.7 | ||||
| 140 | P | 59.9 | Low | 37.6 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | -130 | 155.7 | -114.2 | 37.8 | -17.8 | 0 | 0 | 0 | 116.4 | |||||
| 141 | V | 29.8 | Very low | 37.3 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -148.9 | 135.7 | 157.1 | -79.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 142 | S | 32.1 | Very low | 36.3 | Very low | 93 Ų | 93 | 125.5 Ų | 125.5 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | cis | 82.4 | 110 | 35.7 | -162.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 143 | M | 39 | Very low | 36.4 | Very low | 180 Ų | 180 | 125.3 Ų | 125.3 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | 63.3 | 129.2 | 160.1 | -62 | 174.1 | 171.6 | 0 | 0 | 118.9 | ||||
| 144 | E | 32.3 | Very low | 37.2 | Very low | 191 Ų | 191 | 127.6 Ų | 127.6 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | -168.2 | -171.6 | 94.5 | 75.4 | 167.6 | 128.4 | 0 | 0 | 114.1 | |||||
| 145 | N | 35.4 | Very low | 37 | Very low | 159 Ų | 159 | 129 Ų | 129 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -88.7 | 160.3 | -174.6 | -73.9 | -32.8 | 0 | 0 | 0 | 113.6 | ||||
| 146 | G | 29.8 | Very low | 37 | Very low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | trans | 168.3 | 107.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 147 | L | 34.4 | Very low | 37.2 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | 53 | 112.8 | 83.5 | -68.9 | 162.2 | 0 | 0 | 0 | 112.3 | |||||
| 148 | G | 32.3 | Very low | 37.6 | Very low | 73 Ų | 73 | 138.5 Ų | 138.5 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -74.3 | -167.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 149 | P | 43.9 | Very low | 36.8 | Very low | 131 Ų | 131 | 136 Ų | 136 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | -142.8 | 179.6 | 57.1 | 38.7 | -20.2 | 0 | 0 | 0 | 115.9 | |||||
| 150 | A | 37.1 | Very low | 36.4 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | trans | -81.5 | 160.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 151 | P | 42 | Very low | 35.7 | Very low | 133 Ų | 133 | 132 Ų | 132 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | -147.9 | 163.4 | 101.5 | 37.8 | -22.2 | 0 | 0 | 0 | 115.8 | |||||
| 152 | G | 28.1 | Very low | 35.8 | Very low | 72 Ų | 72 | 130.7 Ų | 130.7 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | 170.1 | 132.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 153 | S | 34.3 | Very low | 36.7 | Very low | 120 Ų | 120 | 132 Ų | 132 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -170.4 | 165.3 | 179.1 | -82.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 154 | P | 48.5 | Very low | 37.1 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | cis | -132.1 | 175.1 | -25 | 37.4 | -21 | 0 | 0 | 0 | 113.1 | ||||
| 155 | E | 30 | Very low | 37 | Very low | 201 Ų | 201 | 124.3 Ų | 124.3 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | trans | -106.6 | 157.7 | 167.2 | -96 | -175.8 | 80.6 | 0 | 0 | 113.4 | ||||
| 156 | K | 33.4 | Very low | 36.8 | Very low | 195 Ų | 195 | 122.9 Ų | 122.9 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -95.8 | 155.7 | -178.2 | -68.1 | 176.5 | 174.7 | 177 | 0 | 111.7 | ||||
| 157 | Q | 39.4 | Very low | 36.8 | Very low | 190 Ų | 190 | 125.5 Ų | 125.5 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | 176.3 | 169.6 | 117.8 | -93.2 | -146.6 | -72.7 | 0 | 0 | 113.4 | |||||
| 158 | P | 46.3 | Very low | 36.8 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -117.1 | 178.2 | -143 | 44.3 | -38 | 0 | 0 | 0 | 117.4 | ||||
| 159 | G | 27.1 | Very low | 36.9 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 175.9 | 134.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 160 | S | 29.9 | Very low | 36.3 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -81.4 | -170.9 | -179.7 | -41.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 161 | P | 45 | Very low | 36.2 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | cis | -136.3 | -177.4 | -3.3 | 39.5 | -19.1 | 0 | 0 | 0 | 116.7 | ||||
| 162 | S | 31.7 | Very low | 35.6 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -71.4 | 174.6 | 172.6 | -31 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 163 | P | 49.7 | Very low | 35.8 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | -150.2 | -146 | 59.7 | 35.4 | -8.3 | 0 | 0 | 0 | 114 | |||||
| 164 | P | 48.2 | Very low | 35.8 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | -123.2 | 173.5 | -75.3 | 36.3 | -20.6 | 0 | 0 | 0 | 114.5 | |||||
| 165 | S | 30.7 | Very low | 35 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | 161.5 | 125.4 | 119.8 | -70.7 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 166 | V | 31.6 | Very low | 35 | Very low | 129 Ų | 129 | 129 Ų | 129 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | trans | 52.9 | 122.5 | 140.1 | -48.3 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 167 | S | 29.9 | Very low | 35 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | 52.9 | 118.3 | 128.7 | -51.7 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 168 | E | 33.6 | Very low | 34.5 | Very low | 202 Ų | 202 | 122.4 Ų | 122.4 | 94% | 0.944 | 81% | 0.806 | S | S | * | * | -154.7 | 152.1 | 102.1 | -162.5 | 162 | 88 | 0 | 0 | 110.6 | |||||
| 169 | S | 34.6 | Very low | 33.7 | Very low | 113 Ų | 113 | 120 Ų | 120 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -115.7 | 126.2 | 178.5 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 170 | G | 31.1 | Very low | 34 | Very low | 78 Ų | 78 | 123.1 Ų | 123.1 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -146 | 102.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 171 | Q | 36.1 | Very low | 34.5 | Very low | 198 Ų | 198 | 122.7 Ų | 122.7 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -76 | 141.9 | 175.7 | -69 | 170.7 | -47.1 | 0 | 0 | 110.7 | ||||
| 172 | G | 28.6 | Very low | 34.2 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -168 | 67 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 173 | V | 31.9 | Very low | 34.6 | Very low | 139 Ų | 139 | 121.7 Ų | 121.7 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | trans | -81.9 | 122 | 173.9 | 176.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 174 | T | 34 | Very low | 33.9 | Very low | 146 Ų | 146 | 120.4 Ų | 120.4 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | trans | -131.3 | 137.5 | 150.5 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 175 | K | 32.2 | Very low | 33.2 | Very low | 168 Ų | 168 | 121 Ų | 121 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | trans | -118 | 133.3 | -179.1 | 179.4 | -168.8 | 173.1 | -155.1 | 0 | 107.6 | E177 | K175-E177 WeakPolarHBondContact CE-OE2 3.44Å; K175-E177 IonicContact NZ-OE2 2.66Å; K175-E177 PolarHBondContact NZ-OE2 3.22Å | ||
| 176 | G | 30.7 | Very low | 33.6 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -143.7 | 130.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 177 | E | 32 | Very low | 34.4 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -108.9 | 159 | -169.1 | -69 | 177.6 | 51.6 | 0 | 0 | 113.4 | K175 | K175-E177 WeakPolarHBondContact CE-OE2 3.44Å; K175-E177 IonicContact NZ-OE2 2.66Å; K175-E177 PolarHBondContact NZ-OE2 3.22Å | ||
| 178 | G | 28.8 | Very low | 34.9 | Very low | 85 Ų | 85 | 122.3 Ų | 122.3 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | trans | 97.2 | 132.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 179 | G | 29.8 | Very low | 35.1 | Very low | 67 Ų | 67 | 116 Ų | 116 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | cis | 172.2 | 144.5 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 180 | T | 32.8 | Very low | 35.6 | Very low | 143 Ų | 143 | 113.7 Ų | 113.7 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | 71.5 | 165.7 | 152 | -12.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 181 | P | 41.8 | Very low | 36.5 | Very low | 111 Ų | 111 | 118.9 Ų | 118.9 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | -128 | 169.8 | -90.8 | 43.7 | -30.8 | 0 | 0 | 0 | 117.6 | |||||
| 182 | A | 37.4 | Very low | 37.5 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | 11.4 | 154.9 | 151.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 183 | P | 41.2 | Very low | 38.8 | Very low | 126 Ų | 126 | 120 Ų | 120 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | -132.6 | 157.9 | 94.3 | 38.1 | -31.1 | 0 | 0 | 0 | 116.2 | |||||
| 184 | A | 34 | Very low | 40.1 | Very low | 93 Ų | 93 | 119.2 Ų | 119.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 57.9 | 104.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 185 | S | 33.7 | Very low | 41.3 | Very low | 120 Ų | 120 | 116.8 Ų | 116.8 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | trans | -160.3 | 122.5 | 155.8 | -75.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 186 | L | 40.5 | Very low | 42.5 | Very low | 172 Ų | 172 | 114.3 Ų | 114.3 | 90% | 0.901 | 73% | 0.73 | S | S | * | * | trans | -159.5 | 154.6 | 153.5 | -82.9 | -170.9 | 0 | 0 | 0 | 108.3 | ||||
| 187 | P | 47.9 | Very low | 43.6 | Very low | 118 Ų | 118 | 113.2 Ų | 113.2 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | S | Bend | cis | -127.4 | 168.4 | -9.9 | 38.6 | -23.6 | 0 | 0 | 0 | 114.3 | ||
| 188 | G | 40.8 | Very low | 44.8 | Very low | 86 Ų | 86 | 112.7 Ų | 112.7 | 89% | 0.887 | 71% | 0.708 | S | S | * | * | trans | 81.4 | 94.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 189 | G | 37 | Very low | 46.2 | Very low | 69 Ų | 69 | 116.4 Ų | 116.4 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | trans | 177.3 | 121.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K191 | G189-K191 PolarHBondContact O-N 3.45Å; G189-K191 VanDerWaalsContact O-N 3.12Å | ||
| 190 | S | 44.3 | Very low | 48 | Very low | 64 Ų | 64 | 116.5 Ų | 116.5 | 45% | 0.448 | 68% | 0.68 | S | S | . | * | trans | -57.3 | 108.7 | 179.6 | 5.3 | 0 | 0 | 0 | 0 | 111 | E192 E193 E194 | S190-E192 PolarHBondContact O-N 3.45Å; S190-E192 VanDerWaalsContact O-N 3.08Å; S190-E193 WeakPolarHBondContact O-CB 3.37Å; S190-E193 PolarHBondContact O-N 3.49Å; S190-E193 PolarHBondContact OG-OE2 3.11Å; S190-E194 PolarHBondContact O-N 3.2Å | ||
| 191 | K | 51.3 | Low | 50.4 | Low | 188 Ų | 188 | 111.9 Ų | 111.9 | 82% | 0.817 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -57.3 | -25.4 | 175.8 | -74.5 | -176.8 | 175.3 | 178.7 | 0 | 113 | G189 E193 E195 | G189-K191 PolarHBondContact O-N 3.45Å; G189-K191 VanDerWaalsContact O-N 3.12Å; K191-E193 VanDerWaalsContact C-N 3.32Å; K191-E195 PolarHBondContact O-N 3.31Å |
| 192 | E | 56.3 | Low | 52.5 | Low | 165 Ų | 165 | 112.8 Ų | 112.8 | 77% | 0.771 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66 | -30.8 | 173.5 | -62.7 | 162.5 | -133.8 | 0 | 0 | 113 | S190 K196 | S190-E192 PolarHBondContact O-N 3.45Å; S190-E192 VanDerWaalsContact O-N 3.08Å; E192-K196 VanDerWaalsContact O-CB 3.3Å; E192-K196 WeakPolarHBondContact O-CB 3.39Å; E192-K196 PolarHBondContact O-N 3.16Å; E192-K196 VanDerWaalsContact O-N 3.11Å |
| 193 | E | 57.1 | Low | 55 | Low | 132 Ų | 132 | 108.8 Ų | 108.8 | 62% | 0.617 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -81.4 | -36.9 | -177.8 | -165.7 | 177 | 156.7 | 0 | 0 | 111.8 | S190 K191 K196 A197 | S190-E193 WeakPolarHBondContact O-CB 3.37Å; S190-E193 PolarHBondContact O-N 3.49Å; S190-E193 PolarHBondContact OG-OE2 3.11Å; K191-E193 VanDerWaalsContact C-N 3.32Å; E193-K196 CarbonylContact O-C 3.56Å; E193-K196 WeakPolarHBondContact O-CB 3.49Å; E193-K196 PolarHBondContact O-N 3.19Å; E193-A197 WeakPolarHBondContact O-CB 3.3Å; E193-A197 PolarHBondContact O-N 3.1Å |
| 194 | E | 58 | Low | 57.1 | Low | 121 Ų | 121 | 106 Ų | 106 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.3 | -34.9 | 174.3 | -161.8 | -170.9 | 120.7 | 0 | 0 | 111.8 | S190 A197 K198 | S190-E194 PolarHBondContact O-N 3.2Å; E194-A197 PolarHBondContact O-N 3.32Å; E194-K198 WeakPolarHBondContact O-CD 3.37Å; E194-K198 WeakPolarHBondContact O-CG 3.33Å; E194-K198 PolarHBondContact O-N 2.86Å; E194-K198 VanDerWaalsContact O-N 3.11Å; E194-K198 WeakPolarHBondContact OE1-CE 3.37Å; E194-K198 IonicContact OE1-NZ 2.61Å; E194-K198 PolarHBondContact OE1-NZ 3.29Å |
| 195 | E | 59 | Low | 59.6 | Low | 96 Ų | 96 | 104.2 Ų | 104.2 | 45% | 0.449 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.8 | -38 | 171.5 | -139.7 | -136.1 | 131.6 | 0 | 0 | 111.5 | K191 A197 K198 R199 | K191-E195 PolarHBondContact O-N 3.31Å; E195-A197 VanDerWaalsContact C-N 3.34Å; E195-A197 PolarHBondContact O-N 2.77Å; E195-K198 PolarHBondContact O-N 3.41Å; E195-R199 WeakPolarHBondContact O-CG 3.37Å; E195-R199 PolarHBondContact O-N 3.39Å; E195-R199 IonicContact OE1-CZ 2.75Å; E195-R199 IonicContact OE1-NE 2.6Å; E195-R199 PolarHBondContact OE1-NE 2.85Å; E195-R199 IonicContact OE1-NH2 3.1Å; E195-R199 PolarHBondContact OE1-NH2 3.01Å; E195-R199 IonicContact OE2-NH2 2.67Å; E195-R199 PolarHBondContact OE2-NH2 3.48Å |
| 196 | K | 57.6 | Low | 62.1 | Low | 116 Ų | 116 | 100.1 Ų | 100.1 | 50% | 0.504 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.3 | -33.8 | 174 | -167.5 | 173.9 | -173.4 | 179.9 | 0 | 112.7 | E192 E193 R199 L200 N211 | E192-K196 VanDerWaalsContact O-CB 3.3Å; E192-K196 WeakPolarHBondContact O-CB 3.39Å; E192-K196 PolarHBondContact O-N 3.16Å; E192-K196 VanDerWaalsContact O-N 3.11Å; E193-K196 CarbonylContact O-C 3.56Å; E193-K196 WeakPolarHBondContact O-CB 3.49Å; E193-K196 PolarHBondContact O-N 3.19Å; K196-R199 CarbonylContact O-C 3.57Å; K196-R199 PolarHBondContact O-N 3.49Å; K196-L200 PolarHBondContact O-N 3.21Å; K196-L200 VanDerWaalsContact O-N 3.15Å; K196-N211 VanDerWaalsContact CE-OD1 3.25Å; K196-N211 WeakPolarHBondContact CE-OD1 3.26Å |
| 197 | A | 54.5 | Low | 64.4 | Low | 56 Ų | 56 | 99.9 Ų | 99.9 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E193 E194 E195 R199 L200 | E193-A197 WeakPolarHBondContact O-CB 3.3Å; E193-A197 PolarHBondContact O-N 3.1Å; E194-A197 PolarHBondContact O-N 3.32Å; E195-A197 VanDerWaalsContact C-N 3.34Å; E195-A197 PolarHBondContact O-N 2.77Å; A197-R199 VanDerWaalsContact C-N 3.34Å; A197-L200 WeakPolarHBondContact O-CB 3.04Å; A197-L200 PolarHBondContact O-N 3.42Å |
| 198 | K | 56.6 | Low | 66.2 | Low | 150 Ų | 150 | 97.1 Ų | 97.1 | 65% | 0.652 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.8 | -26 | 173.6 | -68.2 | 162.3 | -170.6 | 168.8 | 0 | 113 | E194 E195 L200 | E194-K198 WeakPolarHBondContact O-CD 3.37Å; E194-K198 WeakPolarHBondContact O-CG 3.33Å; E194-K198 PolarHBondContact O-N 2.86Å; E194-K198 VanDerWaalsContact O-N 3.11Å; E194-K198 WeakPolarHBondContact OE1-CE 3.37Å; E194-K198 IonicContact OE1-NZ 2.61Å; E194-K198 PolarHBondContact OE1-NZ 3.29Å; E195-K198 PolarHBondContact O-N 3.41Å; K198-L200 VanDerWaalsContact C-N 3.34Å |
| 199 | R | 59.4 | Low | 68.5 | Low | 163 Ų | 163 | 95.7 Ų | 95.7 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | 5.2 | 170.9 | -65.3 | 179.3 | -173.5 | -155.1 | 8.6 | 113.8 | E195 K196 A197 L201 | E195-R199 WeakPolarHBondContact O-CG 3.37Å; E195-R199 PolarHBondContact O-N 3.39Å; E195-R199 IonicContact OE1-CZ 2.75Å; E195-R199 IonicContact OE1-NE 2.6Å; E195-R199 PolarHBondContact OE1-NE 2.85Å; E195-R199 IonicContact OE1-NH2 3.1Å; E195-R199 PolarHBondContact OE1-NH2 3.01Å; E195-R199 IonicContact OE2-NH2 2.67Å; E195-R199 PolarHBondContact OE2-NH2 3.48Å; K196-R199 CarbonylContact O-C 3.57Å; K196-R199 PolarHBondContact O-N 3.49Å; A197-R199 VanDerWaalsContact C-N 3.34Å; R199-L201 PolarHBondContact O-N 3.39Å |
| 200 | L | 66.4 | Low | 71 | Confident | 69 Ų | 69 | 93.6 Ų | 93.6 | 36% | 0.361 | 47% | 0.468 | S | S | . | . | trans | -68.7 | 116.2 | 169.1 | -70.8 | 179.9 | 0 | 0 | 0 | 109.8 | K196 A197 K198 Y202 A209 N211 | K196-L200 PolarHBondContact O-N 3.21Å; K196-L200 VanDerWaalsContact O-N 3.15Å; A197-L200 WeakPolarHBondContact O-CB 3.04Å; A197-L200 PolarHBondContact O-N 3.42Å; K198-L200 VanDerWaalsContact C-N 3.34Å; L200-Y202 PolarHBondContact O-N 2.88Å; L200-A209 HydrophobicContact CB-CB 4.41Å; L200-N211 HydrophobicContact CD2-CB 4.45Å | ||
| 201 | L | 83.2 | Confident | 73 | Confident | 45 Ų | 45 | 94.9 Ų | 94.9 | 24% | 0.236 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 109.5 | -171.2 | -77.4 | 145.2 | 0 | 0 | 0 | 109.3 | R199 V210 S212 L213 L216 | R199-L201 PolarHBondContact O-N 3.39Å; L201-V210 HydrophobicContact CB-CG2 4.19Å; L201-V210 PolarHBondContact N-O 3.35Å; L201-V210 WeakPolarHBondContact O-CG2 3.49Å; L201-V210 PolarHBondContact O-N 3.32Å; L201-S212 VanDerWaalsContact CD1-C 3.43Å; L201-L213 HydrophobicContact CD1-CB 4.17Å; L201-L213 HydrophobicContact CD1-CD2 3.62Å; L201-L213 HydrophobicContact CD1-CG 3.65Å; L201-L213 HydrophobicContact CD2-CD2 3.61Å; L201-L213 HydrophobicContact CG-CD2 4.25Å; L201-L216 HydrophobicContact CB-CB 3.88Å; L201-L216 HydrophobicContact CB-CD2 3.78Å; L201-L216 HydrophobicContact CB-CG 4.23Å; L201-L216 HydrophobicContact CD2-CD2 3.98Å; L201-L216 HydrophobicContact CG-CD2 4.47Å |
| 202 | Y | 87.3 | Confident | 74.6 | Confident | 130 Ų | 130 | 88 Ų | 88 | 51% | 0.51 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.1 | -169.9 | 175.9 | -108.9 | 0 | 0 | 0 | 112.3 | L200 A204 K207 A209 | L200-Y202 PolarHBondContact O-N 2.88Å; Y202-A204 HydrophobicContact CD1-CB 4.31Å; Y202-A204 HydrophobicContact CE1-CB 3.89Å; Y202-A204 PolarHBondContact O-N 3.34Å; Y202-K207 HydrophobicContact CE2-CB 4.33Å; Y202-A209 HydrophobicContact CD2-CB 4.37Å |
| 203 | C | 88.5 | Confident | 76.1 | Confident | 5 Ų | 5 | 85.3 Ų | 85.3 | 3% | 0.034 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 102.2 | 169.2 | 175 | 0 | 0 | 0 | 0 | 110.6 | L205 C206 K207 V208 L216 H219 H225 | C203-L205 PolarHBondContact O-N 3.49Å; C203-C206 PolarHBondContact O-N 3.17Å; C203-C206 PolarHBondContact SG-N 2.9Å; C203-K207 VanDerWaalsContact O-CA 3.25Å; C203-K207 WeakPolarHBondContact O-CA 3.25Å; C203-K207 PolarHBondContact O-N 3.4Å; C203-V208 PolarHBondContact N-O 3.18Å; C203-V208 PolarHBondContact O-N 3.35Å; C203-L216 HydrophobicContact CB-CD1 4.03Å; C203-H219 PolarHBondContact SG-NE2 3.11Å; C203-H225 PolarHBondContact SG-CE1 3.38Å; C203-H225 PolarHBondContact SG-ND1 3.03Å |
| 204 | A | 86 | Confident | 77.5 | Confident | 67 Ų | 67 | 82.8 Ų | 82.8 | 55% | 0.554 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y202 | Y202-A204 HydrophobicContact CD1-CB 4.31Å; Y202-A204 HydrophobicContact CE1-CB 3.89Å; Y202-A204 PolarHBondContact O-N 3.34Å |
| 205 | L | 86.3 | Confident | 78.9 | Confident | 57 Ų | 57 | 81.7 Ų | 81.7 | 30% | 0.298 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -39.2 | 178.4 | -62.4 | -176.2 | 0 | 0 | 0 | 112.7 | C203 I228 L229 | C203-L205 PolarHBondContact O-N 3.49Å; L205-I228 HydrophobicContact CB-CG2 4.47Å; L205-L229 HydrophobicContact CD1-CB 3.99Å; L205-L229 HydrophobicContact CD1-CD1 3.89Å; L205-L229 HydrophobicContact CD1-CG 3.9Å |
| 206 | C | 85.9 | Confident | 80.4 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 22% | 0.223 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -7.5 | -178.8 | -57.8 | 0 | 0 | 0 | 0 | 113.6 | C203 V208 H219 | C203-C206 PolarHBondContact O-N 3.17Å; C203-C206 PolarHBondContact SG-N 2.9Å; C206-V208 VanDerWaalsContact C-N 3.33Å; C206-V208 HydrophobicContact CB-CG2 4.12Å; C206-V208 PolarHBondContact O-N 3.48Å; C206-H219 PolarHBondContact SG-NE2 3.47Å; C206-H219 VanDerWaalsContact SG-NE2 3.45Å |
| 207 | K | 88.5 | Confident | 81.9 | Confident | 168 Ų | 168 | 77.9 Ų | 77.9 | 73% | 0.73 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 39.4 | -173.3 | -53.8 | -170.4 | 178.6 | -177.2 | 0 | 114.3 | Y202 C203 | Y202-K207 HydrophobicContact CE2-CB 4.33Å; C203-K207 VanDerWaalsContact O-CA 3.25Å; C203-K207 WeakPolarHBondContact O-CA 3.25Å; C203-K207 PolarHBondContact O-N 3.4Å |
| 208 | V | 87.3 | Confident | 83.6 | Confident | 60 Ų | 60 | 78.2 Ų | 78.2 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.5 | 178.9 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | C203 C206 V210 | C203-V208 PolarHBondContact N-O 3.18Å; C203-V208 PolarHBondContact O-N 3.35Å; C206-V208 VanDerWaalsContact C-N 3.33Å; C206-V208 HydrophobicContact CB-CG2 4.12Å; C206-V208 PolarHBondContact O-N 3.48Å; V208-V210 HydrophobicContact CG1-CG1 4Å |
| 209 | A | 88.1 | Confident | 85.4 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 46% | 0.463 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L200 Y202 | L200-A209 HydrophobicContact CB-CB 4.41Å; Y202-A209 HydrophobicContact CD2-CB 4.37Å |
| 210 | V | 88.9 | Confident | 86.8 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 15% | 0.145 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 157.2 | 178.3 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | L201 V208 Q215 L216 | L201-V210 HydrophobicContact CB-CG2 4.19Å; L201-V210 PolarHBondContact N-O 3.35Å; L201-V210 WeakPolarHBondContact O-CG2 3.49Å; L201-V210 PolarHBondContact O-N 3.32Å; V208-V210 HydrophobicContact CG1-CG1 4Å; V210-Q215 HydrophobicContact CB-CB 4Å; V210-Q215 HydrophobicContact CG2-CB 4.03Å; V210-L216 HydrophobicContact CG2-CB 3.64Å; V210-L216 HydrophobicContact CG2-CD1 4.16Å |
| 211 | N | 86.5 | Confident | 87.9 | Confident | 92 Ų | 92 | 73 Ų | 73 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -85.6 | -10.1 | -165.1 | -147.6 | -92.9 | 0 | 0 | 0 | 114.2 | K196 L200 Q215 | K196-N211 VanDerWaalsContact CE-OD1 3.25Å; K196-N211 WeakPolarHBondContact CE-OD1 3.26Å; L200-N211 HydrophobicContact CD2-CB 4.45Å; N211-Q215 VanDerWaalsContact N-OE1 3.09Å |
| 212 | S | 86.1 | Confident | 88.3 | Confident | 44 Ų | 44 | 72.1 Ų | 72.1 | 31% | 0.308 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -146.4 | 150.6 | -174.4 | 174.9 | 0 | 0 | 0 | 0 | 112.6 | L201 S214 Q215 L216 | L201-S212 VanDerWaalsContact CD1-C 3.43Å; S212-S214 VanDerWaalsContact C-N 3.3Å; S212-S214 PolarHBondContact O-N 3.26Å; S212-S214 PolarHBondContact OG-N 3.27Å; S212-S214 PolarHBondContact OG-OG 3.06Å; S212-Q215 WeakPolarHBondContact O-CB 3.4Å; S212-Q215 PolarHBondContact O-N 3.01Å; S212-Q215 VanDerWaalsContact O-N 3.1Å; S212-L216 PolarHBondContact O-N 3.3Å |
| 213 | L | 86.1 | Confident | 88.4 | Confident | 108 Ų | 108 | 71.4 Ų | 71.4 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -54.5 | -45.6 | 171.2 | -79.7 | 172.3 | 0 | 0 | 0 | 111.6 | L201 Q215 L216 E217 | L201-L213 HydrophobicContact CD1-CB 4.17Å; L201-L213 HydrophobicContact CD1-CD2 3.62Å; L201-L213 HydrophobicContact CD1-CG 3.65Å; L201-L213 HydrophobicContact CD2-CD2 3.61Å; L201-L213 HydrophobicContact CG-CD2 4.25Å; L213-Q215 VanDerWaalsContact C-N 3.26Å; L213-Q215 PolarHBondContact O-N 3.04Å; L213-L216 PolarHBondContact O-N 3.44Å; L213-L216 VanDerWaalsContact O-N 3.07Å; L213-E217 WeakPolarHBondContact O-CB 3.25Å; L213-E217 WeakPolarHBondContact O-CG 3.3Å; L213-E217 PolarHBondContact O-N 3.03Å |
| 214 | S | 87.6 | Confident | 88.3 | Confident | 78 Ų | 78 | 79.7 Ų | 79.7 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -62.1 | -33.1 | 178 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | S212 A218 | S212-S214 VanDerWaalsContact C-N 3.3Å; S212-S214 PolarHBondContact O-N 3.26Å; S212-S214 PolarHBondContact OG-N 3.27Å; S212-S214 PolarHBondContact OG-OG 3.06Å; S214-A218 VanDerWaalsContact O-CB 3.24Å; S214-A218 WeakPolarHBondContact O-CB 3.16Å; S214-A218 PolarHBondContact O-N 3.17Å |
| 215 | Q | 87.9 | Confident | 88.5 | Confident | 99 Ų | 99 | 76.6 Ų | 76.6 | 46% | 0.463 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.8 | -37.7 | 174 | -68.1 | 173.8 | -5.1 | 0 | 0 | 111.8 | V210 N211 S212 L213 H219 | V210-Q215 HydrophobicContact CB-CB 4Å; V210-Q215 HydrophobicContact CG2-CB 4.03Å; N211-Q215 VanDerWaalsContact N-OE1 3.09Å; S212-Q215 WeakPolarHBondContact O-CB 3.4Å; S212-Q215 PolarHBondContact O-N 3.01Å; S212-Q215 VanDerWaalsContact O-N 3.1Å; L213-Q215 VanDerWaalsContact C-N 3.26Å; L213-Q215 PolarHBondContact O-N 3.04Å; Q215-H219 VanDerWaalsContact O-CB 3.26Å; Q215-H219 WeakPolarHBondContact O-CB 3.46Å; Q215-H219 PolarHBondContact O-N 3.47Å |
| 216 | L | 89.6 | Confident | 88.6 | Confident | 30 Ų | 30 | 79.3 Ų | 79.3 | 16% | 0.157 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.9 | -44 | 175.8 | -177 | 66.7 | 0 | 0 | 0 | 110.2 | L201 C203 V210 S212 L213 H219 N220 | L201-L216 HydrophobicContact CB-CB 3.88Å; L201-L216 HydrophobicContact CB-CD2 3.78Å; L201-L216 HydrophobicContact CB-CG 4.23Å; L201-L216 HydrophobicContact CD2-CD2 3.98Å; L201-L216 HydrophobicContact CG-CD2 4.47Å; C203-L216 HydrophobicContact CB-CD1 4.03Å; V210-L216 HydrophobicContact CG2-CB 3.64Å; V210-L216 HydrophobicContact CG2-CD1 4.16Å; S212-L216 PolarHBondContact O-N 3.3Å; L213-L216 PolarHBondContact O-N 3.44Å; L213-L216 VanDerWaalsContact O-N 3.07Å; L216-H219 WeakPolarHBondContact O-CB 3.45Å; L216-H219 PolarHBondContact O-N 3.46Å; L216-N220 VanDerWaalsContact CD1-ND2 3.32Å; L216-N220 WeakPolarHBondContact CD1-ND2 3.34Å; L216-N220 WeakPolarHBondContact CG-ND2 3.42Å; L216-N220 PolarHBondContact O-N 2.91Å; L216-N220 PolarHBondContact O-ND2 2.99Å |
| 217 | E | 88.6 | Confident | 88.7 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 177.2 | -74.5 | -178.3 | -158.3 | 0 | 0 | 112.2 | L213 H219 N220 K221 | L213-E217 WeakPolarHBondContact O-CB 3.25Å; L213-E217 WeakPolarHBondContact O-CG 3.3Å; L213-E217 PolarHBondContact O-N 3.03Å; E217-H219 VanDerWaalsContact C-N 3.31Å; E217-H219 PolarHBondContact O-N 3.36Å; E217-N220 PolarHBondContact O-N 3.25Å; E217-K221 WeakPolarHBondContact O-CB 3.37Å; E217-K221 VanDerWaalsContact O-CG 3.24Å; E217-K221 WeakPolarHBondContact O-CG 3.49Å; E217-K221 PolarHBondContact O-N 3.38Å |
| 218 | A | 91.8 | Very high | 88.6 | Confident | 64 Ų | 64 | 76.7 Ų | 76.7 | 53% | 0.529 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S214 G222 | S214-A218 VanDerWaalsContact O-CB 3.24Å; S214-A218 WeakPolarHBondContact O-CB 3.16Å; S214-A218 PolarHBondContact O-N 3.17Å; A218-G222 PolarHBondContact O-N 2.93Å |
| 219 | H | 92.8 | Very high | 88.5 | Confident | 46 Ų | 46 | 77.3 Ų | 77.3 | 21% | 0.213 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 173.1 | 173 | 91.3 | 0 | 0 | 0 | 111.8 | C203 C206 Q215 L216 E217 K221 G222 H225 | C203-H219 PolarHBondContact SG-NE2 3.11Å; C206-H219 PolarHBondContact SG-NE2 3.47Å; C206-H219 VanDerWaalsContact SG-NE2 3.45Å; Q215-H219 VanDerWaalsContact O-CB 3.26Å; Q215-H219 WeakPolarHBondContact O-CB 3.46Å; Q215-H219 PolarHBondContact O-N 3.47Å; L216-H219 WeakPolarHBondContact O-CB 3.45Å; L216-H219 PolarHBondContact O-N 3.46Å; E217-H219 VanDerWaalsContact C-N 3.31Å; E217-H219 PolarHBondContact O-N 3.36Å; H219-K221 PolarHBondContact O-N 2.93Å; H219-G222 PolarHBondContact O-N 3.43Å; H219-H225 AromaticContact CD2-ND1 3.33Å; H219-H225 PolarHBondContact CD2-ND1 3.22Å; H219-H225 VanDerWaalsContact CD2-ND1 3.33Å; H219-H225 AromaticContact NE2-CG 3.93Å; H219-H225 AromaticContact NE2-ND1 3.14Å; H219-H225 PolarHBondContact NE2-ND1 2.76Å; H219-H225 VanDerWaalsContact NE2-ND1 3.14Å; H219-H225 WeakPolarHBondContact O-CB 3.28Å |
| 220 | N | 88.8 | Confident | 88.2 | Confident | 66 Ų | 66 | 79.7 Ų | 79.7 | 35% | 0.353 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.5 | -38.7 | -178.9 | -81.9 | -102.4 | 0 | 0 | 0 | 112.2 | L216 E217 G222 H225 | L216-N220 VanDerWaalsContact CD1-ND2 3.32Å; L216-N220 WeakPolarHBondContact CD1-ND2 3.34Å; L216-N220 WeakPolarHBondContact CG-ND2 3.42Å; L216-N220 PolarHBondContact O-N 2.91Å; L216-N220 PolarHBondContact O-ND2 2.99Å; E217-N220 PolarHBondContact O-N 3.25Å; N220-G222 VanDerWaalsContact C-N 3.25Å; N220-G222 PolarHBondContact O-N 2.99Å; N220-H225 PolarHBondContact O-CD2 3.29Å; N220-H225 PolarHBondContact OD1-CE1 2.95Å; N220-H225 PolarHBondContact OD1-NE2 3.26Å |
| 221 | K | 90 | Very high | 87.7 | Confident | 160 Ų | 160 | 82.9 Ų | 82.9 | 70% | 0.696 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -74.1 | -15.3 | 174.3 | -63 | 171 | -146.6 | -77.2 | 0 | 112.6 | E217 H219 | E217-K221 WeakPolarHBondContact O-CB 3.37Å; E217-K221 VanDerWaalsContact O-CG 3.24Å; E217-K221 WeakPolarHBondContact O-CG 3.49Å; E217-K221 PolarHBondContact O-N 3.38Å; H219-K221 PolarHBondContact O-N 2.93Å |
| 222 | G | 91.8 | Very high | 87.2 | Confident | 26 Ų | 26 | 86.5 Ų | 86.5 | 27% | 0.268 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -71.8 | 143.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A218 H219 N220 K224 H225 K226 | A218-G222 PolarHBondContact O-N 2.93Å; H219-G222 PolarHBondContact O-N 3.43Å; N220-G222 VanDerWaalsContact C-N 3.25Å; N220-G222 PolarHBondContact O-N 2.99Å; G222-K224 PolarHBondContact O-N 3.45Å; G222-K224 VanDerWaalsContact O-N 3.08Å; G222-H225 PolarHBondContact O-N 2.79Å; G222-K226 PolarHBondContact O-N 3.01Å |
| 223 | T | 89.4 | Confident | 86.7 | Confident | 115 Ų | 115 | 87.4 Ų | 87.4 | 71% | 0.706 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -52.3 | -38 | -175.6 | -40.3 | 0 | 0 | 0 | 0 | 113.5 | K226 T227 | T223-K226 PolarHBondContact O-N 2.85Å; T223-T227 HydrophobicContact CG2-CG2 4.44Å; T223-T227 WeakPolarHBondContact O-CG2 3.31Å; T223-T227 PolarHBondContact O-N 3.45Å; T223-T227 PolarHBondContact O-OG1 2.85Å; T223-T227 VanDerWaalsContact O-OG1 3.1Å |
| 224 | K | 86.4 | Confident | 85.7 | Confident | 179 Ų | 179 | 84.9 Ų | 84.9 | 78% | 0.778 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.1 | -37.5 | 179.9 | -62.7 | -179 | -178.1 | 178.5 | 0 | 112.8 | G222 T227 I228 | G222-K224 PolarHBondContact O-N 3.45Å; G222-K224 VanDerWaalsContact O-N 3.08Å; K224-T227 PolarHBondContact O-OG1 3.25Å; K224-I228 VanDerWaalsContact O-CD1 3.31Å; K224-I228 WeakPolarHBondContact O-CD1 3.26Å; K224-I228 VanDerWaalsContact O-CG1 3.28Å; K224-I228 WeakPolarHBondContact O-CG1 3.28Å |
| 225 | H | 90.6 | Very high | 84 | Confident | 3 Ų | 3 | 89.7 Ų | 89.7 | 1% | 0.014 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -74.4 | -47.4 | 175.4 | -177.9 | 104.4 | 0 | 0 | 0 | 110 | C203 H219 N220 G222 T227 I228 L229 | C203-H225 PolarHBondContact SG-CE1 3.38Å; C203-H225 PolarHBondContact SG-ND1 3.03Å; H219-H225 AromaticContact CD2-ND1 3.33Å; H219-H225 PolarHBondContact CD2-ND1 3.22Å; H219-H225 VanDerWaalsContact CD2-ND1 3.33Å; H219-H225 AromaticContact NE2-CG 3.93Å; H219-H225 AromaticContact NE2-ND1 3.14Å; H219-H225 PolarHBondContact NE2-ND1 2.76Å; H219-H225 VanDerWaalsContact NE2-ND1 3.14Å; H219-H225 WeakPolarHBondContact O-CB 3.28Å; N220-H225 PolarHBondContact O-CD2 3.29Å; N220-H225 PolarHBondContact OD1-CE1 2.95Å; N220-H225 PolarHBondContact OD1-NE2 3.26Å; G222-H225 PolarHBondContact O-N 2.79Å; H225-T227 PolarHBondContact O-N 3.38Å; H225-I228 PolarHBondContact O-N 3.13Å; H225-I228 VanDerWaalsContact O-N 3.13Å; H225-L229 WeakPolarHBondContact O-CB 3.38Å; H225-L229 PolarHBondContact O-N 3.13Å |
| 226 | K | 89.3 | Confident | 82.4 | Confident | 114 Ų | 114 | 87.3 Ų | 87.3 | 50% | 0.496 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -55.2 | -46.2 | -179.7 | -176.6 | 174.6 | 173 | 176.7 | 0 | 112.5 | G222 T223 I228 L229 E230 | G222-K226 PolarHBondContact O-N 3.01Å; T223-K226 PolarHBondContact O-N 2.85Å; K226-I228 PolarHBondContact O-N 3.45Å; K226-L229 PolarHBondContact O-N 3.29Å; K226-E230 WeakPolarHBondContact CE-OE1 3.31Å; K226-E230 HydrophobicContact CG-CG 4.35Å; K226-E230 IonicContact NZ-OE1 3.48Å; K226-E230 WeakPolarHBondContact O-CB 3.2Å; K226-E230 WeakPolarHBondContact O-CG 3.24Å; K226-E230 PolarHBondContact O-N 3.47Å |
| 227 | T | 87.9 | Confident | 80.6 | Confident | 74 Ų | 74 | 92.1 Ų | 92.1 | 45% | 0.454 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.3 | -33.8 | 179.1 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | T223 K224 H225 A231 | T223-T227 HydrophobicContact CG2-CG2 4.44Å; T223-T227 WeakPolarHBondContact O-CG2 3.31Å; T223-T227 PolarHBondContact O-N 3.45Å; T223-T227 PolarHBondContact O-OG1 2.85Å; T223-T227 VanDerWaalsContact O-OG1 3.1Å; K224-T227 PolarHBondContact O-OG1 3.25Å; H225-T227 PolarHBondContact O-N 3.38Å; T227-A231 VanDerWaalsContact O-CB 3.26Å; T227-A231 WeakPolarHBondContact O-CB 3.42Å; T227-A231 PolarHBondContact O-N 3.24Å |
| 228 | I | 85.2 | Confident | 78.4 | Confident | 72 Ų | 72 | 94.9 Ų | 94.9 | 37% | 0.369 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.2 | -38.3 | 174.4 | -68.1 | 171 | 0 | 0 | 0 | 110.6 | L205 K224 H225 K226 R232 | L205-I228 HydrophobicContact CB-CG2 4.47Å; K224-I228 VanDerWaalsContact O-CD1 3.31Å; K224-I228 WeakPolarHBondContact O-CD1 3.26Å; K224-I228 VanDerWaalsContact O-CG1 3.28Å; K224-I228 WeakPolarHBondContact O-CG1 3.28Å; H225-I228 PolarHBondContact O-N 3.13Å; H225-I228 VanDerWaalsContact O-N 3.13Å; K226-I228 PolarHBondContact O-N 3.45Å; I228-R232 VanDerWaalsContact O-CB 3.28Å; I228-R232 WeakPolarHBondContact O-CB 3.42Å; I228-R232 PolarHBondContact O-N 3.36Å |
| 229 | L | 85.6 | Confident | 76.1 | Confident | 73 Ų | 73 | 99.5 Ų | 99.5 | 38% | 0.382 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.8 | -47.6 | 175.3 | -168.9 | 157.2 | 0 | 0 | 0 | 110.5 | L205 H225 K226 A231 R232 S233 | L205-L229 HydrophobicContact CD1-CB 3.99Å; L205-L229 HydrophobicContact CD1-CD1 3.89Å; L205-L229 HydrophobicContact CD1-CG 3.9Å; H225-L229 WeakPolarHBondContact O-CB 3.38Å; H225-L229 PolarHBondContact O-N 3.13Å; K226-L229 PolarHBondContact O-N 3.29Å; L229-A231 PolarHBondContact O-N 3.36Å; L229-R232 CarbonylContact O-C 3.46Å; L229-R232 PolarHBondContact O-N 3.1Å; L229-R232 VanDerWaalsContact O-N 3.13Å; L229-S233 VanDerWaalsContact O-CB 3.29Å; L229-S233 WeakPolarHBondContact O-CB 3.39Å; L229-S233 PolarHBondContact O-N 3.05Å; L229-S233 PolarHBondContact O-OG 3.32Å |
| 230 | E | 81.8 | Confident | 73.8 | Confident | 106 Ų | 106 | 101.9 Ų | 101.9 | 50% | 0.495 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64 | -37 | 177.3 | -72.8 | 172.2 | 148.7 | 0 | 0 | 112.9 | K226 R232 S233 | K226-E230 WeakPolarHBondContact CE-OE1 3.31Å; K226-E230 HydrophobicContact CG-CG 4.35Å; K226-E230 IonicContact NZ-OE1 3.48Å; K226-E230 WeakPolarHBondContact O-CB 3.2Å; K226-E230 WeakPolarHBondContact O-CG 3.24Å; K226-E230 PolarHBondContact O-N 3.47Å; E230-R232 PolarHBondContact O-N 3.02Å; E230-S233 PolarHBondContact O-OG 2.99Å |
| 231 | A | 79.2 | Confident | 71.4 | Confident | 90 Ų | 90 | 107 Ų | 107 | 74% | 0.744 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.5 | -17.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T227 L229 | T227-A231 VanDerWaalsContact O-CB 3.26Å; T227-A231 WeakPolarHBondContact O-CB 3.42Å; T227-A231 PolarHBondContact O-N 3.24Å; L229-A231 PolarHBondContact O-N 3.36Å |
| 232 | R | 74.1 | Confident | 69.9 | Low | 168 Ų | 168 | 105.1 Ų | 105.1 | 63% | 0.634 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -115.7 | -19.7 | -173.7 | -169.8 | 170 | 173.1 | -172.4 | -4.4 | 113.8 | I228 L229 E230 G234 | I228-R232 VanDerWaalsContact O-CB 3.28Å; I228-R232 WeakPolarHBondContact O-CB 3.42Å; I228-R232 PolarHBondContact O-N 3.36Å; L229-R232 CarbonylContact O-C 3.46Å; L229-R232 PolarHBondContact O-N 3.1Å; L229-R232 VanDerWaalsContact O-N 3.13Å; E230-R232 PolarHBondContact O-N 3.02Å; R232-G234 PolarHBondContact O-N 3.32Å |
| 233 | S | 75.8 | Confident | 67.7 | Low | 64 Ų | 64 | 115.1 Ų | 115.1 | 45% | 0.448 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.4 | -21.9 | 177.5 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | L229 E230 L235 | L229-S233 VanDerWaalsContact O-CB 3.29Å; L229-S233 WeakPolarHBondContact O-CB 3.39Å; L229-S233 PolarHBondContact O-N 3.05Å; L229-S233 PolarHBondContact O-OG 3.32Å; E230-S233 PolarHBondContact O-OG 2.99Å; S233-L235 PolarHBondContact O-N 3.18Å |
| 234 | G | 65.4 | Low | 65.4 | Low | 54 Ų | 54 | 117.2 Ų | 117.2 | 56% | 0.557 | 63% | 0.626 | S | S | * | * | trans | 61.7 | 20.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | R232 G236 | R232-G234 PolarHBondContact O-N 3.32Å; G234-G236 PolarHBondContact O-N 3.23Å; G234-G236 VanDerWaalsContact O-O 3.13Å | ||
| 235 | L | 51.3 | Low | 63.3 | Low | 179 Ų | 179 | 111.5 Ų | 111.5 | 94% | 0.937 | 62% | 0.618 | S | S | * | * | trans | -77.7 | 52.9 | 178.3 | -66 | -179.8 | 0 | 0 | 0 | 112.4 | S233 | S233-L235 PolarHBondContact O-N 3.18Š| ||
| 236 | G | 55.2 | Low | 61.1 | Low | 49 Ų | 49 | 117.3 Ų | 117.3 | 51% | 0.505 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -112.8 | 147.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | G234 I238 | G234-G236 PolarHBondContact O-N 3.23Å; G234-G236 VanDerWaalsContact O-O 3.13Å; G236-I238 PolarHBondContact O-N 3Å |
| 237 | P | 51.5 | Low | 59.1 | Low | 131 Ų | 131 | 118 Ų | 118 | 85% | 0.851 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -69.1 | 108.1 | -173.4 | 28.1 | -34.1 | 0 | 0 | 0 | 110.8 | ||
| 238 | I | 43.2 | Very low | 56.9 | Low | 159 Ų | 159 | 120.8 Ų | 120.8 | 82% | 0.815 | 69% | 0.689 | S | S | * | * | trans | -164.4 | 129 | 140 | -93.1 | 140.5 | 0 | 0 | 0 | 110 | G236 A240 | G236-I238 PolarHBondContact O-N 3Å; I238-A240 PolarHBondContact O-N 3.21Å | ||
| 239 | K | 43.8 | Very low | 55 | Low | 162 Ų | 162 | 123.9 Ų | 123.9 | 70% | 0.704 | 71% | 0.714 | S | S | * | * | trans | -8.4 | 115.4 | 158.3 | -143.7 | 82.3 | 169.4 | -177.1 | 0 | 115.5 | Y241 | K239-Y241 HydrophobicContact CB-CD2 4.49Å; K239-Y241 HydrophobicContact CB-CE2 4.1Å; K239-Y241 HydrophobicContact CG-CD2 4.37Å; K239-Y241 HydrophobicContact CG-CE2 3.76Å | ||
| 240 | A | 43.2 | Very low | 53 | Low | 95 Ų | 95 | 123.8 Ų | 123.8 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -60.7 | 138.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | I238 | I238-A240 PolarHBondContact O-N 3.21Š| ||
| 241 | Y | 39.5 | Very low | 50.9 | Low | 175 Ų | 175 | 128 Ų | 128 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | trans | -119.2 | 133.4 | 158.1 | -82.3 | -79.1 | 0 | 0 | 0 | 109.2 | K239 | K239-Y241 HydrophobicContact CB-CD2 4.49Å; K239-Y241 HydrophobicContact CB-CE2 4.1Å; K239-Y241 HydrophobicContact CG-CD2 4.37Å; K239-Y241 HydrophobicContact CG-CE2 3.76Å | ||
| 242 | P | 57.3 | Low | 49.5 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 153.5 | -175.2 | -28.2 | 36.3 | 0 | 0 | 0 | 114.8 | L244 | P242-L244 PolarHBondContact O-N 3.07Š|
| 243 | R | 45.4 | Very low | 48.3 | Very low | 236 Ų | 236 | 130.8 Ų | 130.8 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 118.9 | 174 | -170.7 | -166.2 | -159.9 | -69.9 | 4.3 | 110.1 | G245 | R243-G245 PolarHBondContact O-N 3.46Š|
| 244 | L | 42.3 | Very low | 46.6 | Very low | 160 Ų | 160 | 132 Ų | 132 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 131.5 | 172.2 | -68.3 | 167.7 | 0 | 0 | 0 | 110.8 | P242 | P242-L244 PolarHBondContact O-N 3.07Š|
| 245 | G | 41.3 | Very low | 45.6 | Very low | 59 Ų | 59 | 135.4 Ų | 135.4 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | trans | -83.4 | 175.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R243 | R243-G245 PolarHBondContact O-N 3.46Š| ||
| 246 | P | 44.5 | Very low | 45.5 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 150.8 | 177 | -19.1 | 33 | 0 | 0 | 0 | 112.3 | ||
| 247 | P | 48 | Very low | 45.3 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 130.5 | -177.6 | 31.3 | -34.1 | 0 | 0 | 0 | 112.1 | ||
| 248 | T | 40.8 | Very low | 45.4 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 130 | 159.9 | 46.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 249 | P | 45.4 | Very low | 46.4 | Very low | 138 Ų | 138 | 135 Ų | 135 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 126.7 | 177.1 | 2.7 | 14.1 | 0 | 0 | 0 | 110.8 | ||
| 250 | G | 43.9 | Very low | 47.8 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | trans | 163 | 122.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 251 | E | 38.5 | Very low | 49.5 | Very low | 196 Ų | 196 | 129 Ų | 129 | 92% | 0.916 | 73% | 0.729 | S | S | * | * | trans | 78.5 | 152.7 | 154.9 | -67.5 | -167.6 | 92.5 | 0 | 0 | 120.5 | ||||
| 252 | P | 48.9 | Very low | 51.8 | Low | 119 Ų | 119 | 125.5 Ų | 125.5 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -112.1 | -173.3 | -134.3 | 42.7 | -36.9 | 0 | 0 | 0 | 116.2 | ||||
| 253 | E | 49.2 | Very low | 53.3 | Low | 196 Ų | 196 | 120.2 Ų | 120.2 | 92% | 0.916 | 68% | 0.684 | S | S | * | * | trans | -65.2 | 145.2 | -164.1 | -51.8 | -175.2 | 105.6 | 0 | 0 | 116.3 | ||||
| 254 | A | 39 | Very low | 55.1 | Low | 91 Ų | 91 | 115.6 Ų | 115.6 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | trans | -142.3 | 151 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 255 | P | 45.3 | Very low | 57.1 | Low | 125 Ų | 125 | 112.5 Ų | 112.5 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | trans | -70.8 | 142.3 | -145 | 25.1 | -35.1 | 0 | 0 | 0 | 114.5 | Q257 | P255-Q257 PolarHBondContact O-N 2.97Š| ||
| 256 | S | 49.9 | Very low | 59.1 | Low | 113 Ų | 113 | 111.8 Ų | 111.8 | 79% | 0.79 | 64% | 0.642 | S | S | * | * | trans | -50.2 | 106.7 | 174.1 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | D258 | S256-D258 PolarHBondContact O-N 3.18Š| ||
| 257 | Q | 50.1 | Low | 61 | Low | 148 Ų | 148 | 112.8 Ų | 112.8 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | trans | -59.2 | 105.9 | 155.1 | -70.5 | -177.1 | -10.5 | 0 | 0 | 106.8 | P255 R259 | P255-Q257 PolarHBondContact O-N 2.97Å; Q257-R259 HydrophobicContact CB-CG 4.36Å; Q257-R259 PolarHBondContact O-N 3.26Å | ||
| 258 | D | 54.2 | Low | 62.7 | Low | 94 Ų | 94 | 109.5 Ų | 109.5 | 50% | 0.503 | 62% | 0.618 | S | S | . | * | trans | -67.3 | 78.5 | 173.9 | -165.7 | -33.1 | 0 | 0 | 0 | 108.2 | S256 T260 N271 | S256-D258 PolarHBondContact O-N 3.18Å; D258-T260 PolarHBondContact O-N 3.39Å; D258-T260 PolarHBondContact O-OG1 3.22Å; D258-N271 VanDerWaalsContact CG-ND2 3.25Å; D258-N271 PolarHBondContact OD1-ND2 3.39Å; D258-N271 PolarHBondContact OD2-ND2 3.17Å | ||
| 259 | R | 62.8 | Low | 65 | Low | 154 Ų | 154 | 110.9 Ų | 110.9 | 58% | 0.581 | 61% | 0.612 | S | S | * | * | trans | -67 | 84.6 | 178.6 | -75.1 | -174.2 | 173.5 | -166.6 | -2.1 | 106.8 | Q257 F261 | Q257-R259 HydrophobicContact CB-CG 4.36Å; Q257-R259 PolarHBondContact O-N 3.26Å; R259-F261 HydrophobicContact CB-CE2 4.19Å; R259-F261 HydrophobicContact CB-CZ 4.16Å; R259-F261 WeakPolarHBondContact O-CD2 3.48Å; R259-F261 WeakPolarHBondContact O-CE2 3.34Å; R259-F261 WeakPolarHBondContact O-CG 3.38Å; R259-F261 PolarHBondContact O-N 3.22Å | ||
| 260 | T | 73.8 | Confident | 66.9 | Low | 78 Ų | 78 | 105.5 Ų | 105.5 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | trans | -63.5 | 105.6 | -173.3 | -22.9 | 0 | 0 | 0 | 0 | 108.7 | D258 H262 K269 | D258-T260 PolarHBondContact O-N 3.39Å; D258-T260 PolarHBondContact O-OG1 3.22Å; T260-H262 PolarHBondContact O-N 3.1Å; T260-K269 HydrophobicContact CG2-CB 4.24Å | ||
| 261 | F | 79.8 | Confident | 68.8 | Low | 53 Ų | 53 | 106.9 Ų | 106.9 | 23% | 0.232 | 57% | 0.568 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.6 | 110.1 | -169.9 | -73.5 | -82 | 0 | 0 | 0 | 109.4 | R259 V270 E273 L276 | R259-F261 HydrophobicContact CB-CE2 4.19Å; R259-F261 HydrophobicContact CB-CZ 4.16Å; R259-F261 WeakPolarHBondContact O-CD2 3.48Å; R259-F261 WeakPolarHBondContact O-CE2 3.34Å; R259-F261 WeakPolarHBondContact O-CG 3.38Å; R259-F261 PolarHBondContact O-N 3.22Å; F261-V270 HydrophobicContact CB-CG2 4.09Å; F261-V270 PolarHBondContact N-O 3.08Å; F261-V270 WeakPolarHBondContact O-CG2 3.44Å; F261-V270 PolarHBondContact O-N 2.85Å; F261-E273 HydrophobicContact CD1-CB 4.18Å; F261-E273 HydrophobicContact CD1-CG 4.05Å; F261-E273 HydrophobicContact CD2-CB 4.1Å; F261-E273 HydrophobicContact CE1-CB 3.72Å; F261-E273 HydrophobicContact CE1-CG 3.56Å; F261-E273 HydrophobicContact CE2-CB 3.65Å; F261-E273 HydrophobicContact CE2-CG 4.43Å; F261-E273 HydrophobicContact CG-CB 4.36Å; F261-E273 HydrophobicContact CZ-CB 3.45Å; F261-E273 VanDerWaalsContact CZ-CB 3.45Å; F261-E273 HydrophobicContact CZ-CG 3.79Å; F261-L276 HydrophobicContact CB-CB 3.74Å; F261-L276 HydrophobicContact CB-CD2 3.76Å; F261-L276 HydrophobicContact CB-CG 4.21Å; F261-L276 HydrophobicContact CD1-CD2 4.06Å; F261-L276 HydrophobicContact CG-CB 4.42Å; F261-L276 HydrophobicContact CG-CD2 4.35Å |
| 262 | H | 87.1 | Confident | 71.1 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 139.4 | -177.2 | 71.1 | -67.1 | 0 | 0 | 0 | 111.8 | T260 E264 K269 | T260-H262 PolarHBondContact O-N 3.1Å; H262-E264 WeakPolarHBondContact CD2-CG 3.49Å; H262-E264 IonicContact CD2-OE1 3.62Å; H262-E264 IonicContact CE1-OE1 3.83Å; H262-E264 WeakPolarHBondContact NE2-CG 3.3Å; H262-E264 IonicContact NE2-OE1 2.79Å; H262-E264 PolarHBondContact NE2-OE1 3.48Å; H262-K269 HydrophobicContact CB-CG 4.24Å |
| 263 | C | 88.5 | Confident | 72.9 | Confident | 7 Ų | 7 | 98 Ų | 98 | 5% | 0.047 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 108.2 | 167.1 | 175.1 | 0 | 0 | 0 | 0 | 108.6 | I265 C266 N267 V268 L276 H279 H285 | C263-I265 VanDerWaalsContact C-N 3.33Å; C263-I265 PolarHBondContact O-N 2.89Å; C263-C266 PolarHBondContact O-N 3.01Å; C263-C266 PolarHBondContact SG-N 3.12Å; C263-N267 WeakPolarHBondContact O-CA 3.35Å; C263-N267 PolarHBondContact O-N 3.11Å; C263-V268 PolarHBondContact N-O 3.31Å; C263-V268 PolarHBondContact O-N 3.12Å; C263-L276 HydrophobicContact CB-CD1 3.78Å; C263-H279 PolarHBondContact SG-NE2 3.22Å; C263-H285 PolarHBondContact SG-CE1 3.48Å; C263-H285 PolarHBondContact SG-ND1 3.32Å |
| 264 | E | 84.6 | Confident | 74.9 | Confident | 139 Ų | 139 | 93.5 Ų | 93.5 | 65% | 0.65 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -36.8 | -179.1 | -64 | 173 | -176.7 | 0 | 0 | 112 | H262 C266 N267 | H262-E264 WeakPolarHBondContact CD2-CG 3.49Å; H262-E264 IonicContact CD2-OE1 3.62Å; H262-E264 IonicContact CE1-OE1 3.83Å; H262-E264 WeakPolarHBondContact NE2-CG 3.3Å; H262-E264 IonicContact NE2-OE1 2.79Å; H262-E264 PolarHBondContact NE2-OE1 3.48Å; E264-C266 VanDerWaalsContact C-N 3.3Å; E264-C266 PolarHBondContact O-N 2.86Å; E264-N267 PolarHBondContact O-N 3.4Å; E264-N267 PolarHBondContact O-ND2 3.14Å |
| 265 | I | 82.7 | Confident | 77.2 | Confident | 95 Ų | 95 | 93.6 Ų | 93.6 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -28.8 | -176.6 | -54.7 | -179.4 | 0 | 0 | 0 | 112 | C263 V289 | C263-I265 VanDerWaalsContact C-N 3.33Å; C263-I265 PolarHBondContact O-N 2.89Å; I265-V289 HydrophobicContact CD1-CG2 3.71Å; I265-V289 HydrophobicContact CG2-CG2 4.07Å |
| 266 | C | 84.7 | Confident | 79.4 | Confident | 45 Ų | 45 | 88.8 Ų | 88.8 | 30% | 0.304 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -3.7 | 177.7 | -58.4 | 0 | 0 | 0 | 0 | 113.3 | C263 E264 V268 H279 | C263-C266 PolarHBondContact O-N 3.01Å; C263-C266 PolarHBondContact SG-N 3.12Å; E264-C266 VanDerWaalsContact C-N 3.3Å; E264-C266 PolarHBondContact O-N 2.86Å; C266-V268 HydrophobicContact CB-CG2 3.91Å; C266-V268 WeakPolarHBondContact O-CG2 3.4Å; C266-V268 PolarHBondContact O-N 3.49Å; C266-H279 PolarHBondContact SG-NE2 3.31Å; C266-H279 VanDerWaalsContact SG-NE2 3.45Å |
| 267 | N | 83.4 | Confident | 81.3 | Confident | 146 Ų | 146 | 89.3 Ų | 89.3 | 78% | 0.781 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 37.3 | -170.4 | -69.9 | -69.1 | 0 | 0 | 0 | 114.2 | C263 E264 | C263-N267 WeakPolarHBondContact O-CA 3.35Å; C263-N267 PolarHBondContact O-N 3.11Å; E264-N267 PolarHBondContact O-N 3.4Å; E264-N267 PolarHBondContact O-ND2 3.14Å |
| 268 | V | 84.2 | Confident | 83.3 | Confident | 58 Ų | 58 | 88.7 Ų | 88.7 | 35% | 0.352 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.5 | 177.9 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | C263 C266 V270 | C263-V268 PolarHBondContact N-O 3.31Å; C263-V268 PolarHBondContact O-N 3.12Å; C266-V268 HydrophobicContact CB-CG2 3.91Å; C266-V268 WeakPolarHBondContact O-CG2 3.4Å; C266-V268 PolarHBondContact O-N 3.49Å; V268-V270 HydrophobicContact CG1-CG1 4.04Å |
| 269 | K | 88.1 | Confident | 85.2 | Confident | 161 Ų | 161 | 86 Ų | 86 | 70% | 0.7 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134 | 168.2 | -62.8 | -177.1 | 179.7 | -175.4 | 0 | 109.1 | T260 H262 | T260-K269 HydrophobicContact CG2-CB 4.24Å; H262-K269 HydrophobicContact CB-CG 4.24Å |
| 270 | V | 86 | Confident | 86.5 | Confident | 25 Ų | 25 | 82.2 Ų | 82.2 | 15% | 0.152 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 150.7 | 175 | -65.6 | 0 | 0 | 0 | 0 | 110.2 | F261 V268 S272 Q275 L276 | F261-V270 HydrophobicContact CB-CG2 4.09Å; F261-V270 PolarHBondContact N-O 3.08Å; F261-V270 WeakPolarHBondContact O-CG2 3.44Å; F261-V270 PolarHBondContact O-N 2.85Å; V268-V270 HydrophobicContact CG1-CG1 4.04Å; V270-S272 PolarHBondContact O-N 2.87Å; V270-Q275 HydrophobicContact CB-CB 3.96Å; V270-Q275 HydrophobicContact CG1-CB 4.48Å; V270-Q275 HydrophobicContact CG2-CB 4.02Å; V270-L276 HydrophobicContact CG2-CB 3.66Å; V270-L276 HydrophobicContact CG2-CD1 4.18Å |
| 271 | N | 83.1 | Confident | 87.3 | Confident | 99 Ų | 99 | 82.2 Ų | 82.2 | 53% | 0.529 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -83.4 | -9.9 | -168.7 | 179.6 | -110.9 | 0 | 0 | 0 | 113.6 | D258 | D258-N271 VanDerWaalsContact CG-ND2 3.25Å; D258-N271 PolarHBondContact OD1-ND2 3.39Å; D258-N271 PolarHBondContact OD2-ND2 3.17Å |
| 272 | S | 86.8 | Confident | 87.8 | Confident | 40 Ų | 40 | 81.6 Ų | 81.6 | 28% | 0.28 | 42% | 0.423 | S | S | . | . | trans | -134.2 | 143 | -178.3 | 175.7 | 0 | 0 | 0 | 0 | 112.5 | V270 V274 Q275 L276 | V270-S272 PolarHBondContact O-N 2.87Å; S272-V274 PolarHBondContact O-N 3.2Å; S272-V274 PolarHBondContact OG-N 2.8Å; S272-Q275 WeakPolarHBondContact O-CB 3.32Å; S272-Q275 PolarHBondContact O-N 2.61Å; S272-Q275 VanDerWaalsContact O-N 3.08Å; S272-L276 PolarHBondContact O-N 3.45Å | ||
| 273 | E | 87.6 | Confident | 87.9 | Confident | 89 Ų | 89 | 86.2 Ų | 86.2 | 42% | 0.416 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -58.2 | -34.1 | 173.9 | -161.2 | -179.7 | 148.9 | 0 | 0 | 111.3 | F261 L276 K277 | F261-E273 HydrophobicContact CD1-CB 4.18Å; F261-E273 HydrophobicContact CD1-CG 4.05Å; F261-E273 HydrophobicContact CD2-CB 4.1Å; F261-E273 HydrophobicContact CE1-CB 3.72Å; F261-E273 HydrophobicContact CE1-CG 3.56Å; F261-E273 HydrophobicContact CE2-CB 3.65Å; F261-E273 HydrophobicContact CE2-CG 4.43Å; F261-E273 HydrophobicContact CG-CB 4.36Å; F261-E273 HydrophobicContact CZ-CB 3.45Å; F261-E273 VanDerWaalsContact CZ-CB 3.45Å; F261-E273 HydrophobicContact CZ-CG 3.79Å; E273-L276 PolarHBondContact O-N 3.11Å; E273-K277 HydrophobicContact CG-CD 4.37Å; E273-K277 WeakPolarHBondContact O-CB 3.45Å; E273-K277 VanDerWaalsContact O-CG 3.32Å; E273-K277 WeakPolarHBondContact O-CG 2.91Å; E273-K277 PolarHBondContact O-N 2.9Å; E273-K277 WeakPolarHBondContact OE1-CE 3.36Å; E273-K277 IonicContact OE1-NZ 2.6Å; E273-K277 PolarHBondContact OE1-NZ 3.23Å |
| 274 | V | 90.4 | Very high | 87.7 | Confident | 101 Ų | 101 | 96.5 Ų | 96.5 | 61% | 0.612 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.2 | -41.6 | 178 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | S272 L276 K277 Q278 | S272-V274 PolarHBondContact O-N 3.2Å; S272-V274 PolarHBondContact OG-N 2.8Å; V274-L276 VanDerWaalsContact C-N 3.32Å; V274-L276 PolarHBondContact O-N 3.5Å; V274-K277 PolarHBondContact O-N 3.15Å; V274-Q278 WeakPolarHBondContact O-CB 3.29Å; V274-Q278 PolarHBondContact O-N 3.3Å |
| 275 | Q | 87.4 | Confident | 87.9 | Confident | 94 Ų | 94 | 90.5 Ų | 90.5 | 44% | 0.439 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 173.1 | -69 | 175.5 | 6.7 | 0 | 0 | 111.4 | V270 S272 Q278 H279 | V270-Q275 HydrophobicContact CB-CB 3.96Å; V270-Q275 HydrophobicContact CG1-CB 4.48Å; V270-Q275 HydrophobicContact CG2-CB 4.02Å; S272-Q275 WeakPolarHBondContact O-CB 3.32Å; S272-Q275 PolarHBondContact O-N 2.61Å; S272-Q275 VanDerWaalsContact O-N 3.08Å; Q275-Q278 PolarHBondContact O-N 3.24Å; Q275-H279 VanDerWaalsContact O-CB 3.28Å; Q275-H279 WeakPolarHBondContact O-CB 3.26Å; Q275-H279 PolarHBondContact O-N 3.11Å |
| 276 | L | 91.6 | Very high | 88.2 | Confident | 24 Ų | 24 | 94.1 Ų | 94.1 | 13% | 0.126 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68 | -46.3 | 176.3 | -176.3 | 67.3 | 0 | 0 | 0 | 111.3 | F261 C263 V270 S272 E273 V274 Q278 H279 I280 | F261-L276 HydrophobicContact CB-CB 3.74Å; F261-L276 HydrophobicContact CB-CD2 3.76Å; F261-L276 HydrophobicContact CB-CG 4.21Å; F261-L276 HydrophobicContact CD1-CD2 4.06Å; F261-L276 HydrophobicContact CG-CB 4.42Å; F261-L276 HydrophobicContact CG-CD2 4.35Å; C263-L276 HydrophobicContact CB-CD1 3.78Å; V270-L276 HydrophobicContact CG2-CB 3.66Å; V270-L276 HydrophobicContact CG2-CD1 4.18Å; S272-L276 PolarHBondContact O-N 3.45Å; E273-L276 PolarHBondContact O-N 3.11Å; V274-L276 VanDerWaalsContact C-N 3.32Å; V274-L276 PolarHBondContact O-N 3.5Å; L276-Q278 VanDerWaalsContact C-N 3.3Å; L276-Q278 PolarHBondContact O-N 2.93Å; L276-H279 WeakPolarHBondContact O-CB 3.06Å; L276-H279 PolarHBondContact O-N 3.21Å; L276-I280 HydrophobicContact CD1-CD1 4.1Å; L276-I280 HydrophobicContact CD1-CG1 4.29Å; L276-I280 HydrophobicContact CD2-CD1 4.17Å; L276-I280 HydrophobicContact CG-CD1 3.75Å; L276-I280 HydrophobicContact CG-CG1 4.33Å; L276-I280 WeakPolarHBondContact O-CB 3.42Å; L276-I280 VanDerWaalsContact O-CG1 3.3Å; L276-I280 WeakPolarHBondContact O-CG1 3.36Å; L276-I280 PolarHBondContact O-N 3.25Å |
| 277 | K | 89.6 | Confident | 88.2 | Confident | 124 Ų | 124 | 96 Ų | 96 | 54% | 0.539 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 175.1 | -75.2 | 170.2 | -179.3 | 167.8 | 0 | 111.3 | E273 V274 I280 S281 | E273-K277 HydrophobicContact CG-CD 4.37Å; E273-K277 WeakPolarHBondContact O-CB 3.45Å; E273-K277 VanDerWaalsContact O-CG 3.32Å; E273-K277 WeakPolarHBondContact O-CG 2.91Å; E273-K277 PolarHBondContact O-N 2.9Å; E273-K277 WeakPolarHBondContact OE1-CE 3.36Å; E273-K277 IonicContact OE1-NZ 2.6Å; E273-K277 PolarHBondContact OE1-NZ 3.23Å; V274-K277 PolarHBondContact O-N 3.15Å; K277-I280 PolarHBondContact O-N 3.21Å; K277-S281 WeakPolarHBondContact O-CB 3.38Å; K277-S281 PolarHBondContact O-N 3.14Å; K277-S281 PolarHBondContact O-OG 3.48Å |
| 278 | Q | 92.6 | Very high | 88.1 | Confident | 134 Ų | 134 | 90.8 Ų | 90.8 | 63% | 0.626 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 175.3 | -167.6 | 175.4 | 14.9 | 0 | 0 | 111.8 | V274 Q275 L276 S281 S282 | V274-Q278 WeakPolarHBondContact O-CB 3.29Å; V274-Q278 PolarHBondContact O-N 3.3Å; Q275-Q278 PolarHBondContact O-N 3.24Å; L276-Q278 VanDerWaalsContact C-N 3.3Å; L276-Q278 PolarHBondContact O-N 2.93Å; Q278-S281 PolarHBondContact O-N 3.33Å; Q278-S281 PolarHBondContact O-OG 3.06Å; Q278-S282 PolarHBondContact O-N 2.84Å |
| 279 | H | 93.8 | Very high | 87.9 | Confident | 39 Ų | 39 | 91.8 Ų | 91.8 | 18% | 0.181 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 173.8 | 172.8 | 90 | 0 | 0 | 0 | 111.8 | C263 C266 Q275 L276 S281 S282 H285 | C263-H279 PolarHBondContact SG-NE2 3.22Å; C266-H279 PolarHBondContact SG-NE2 3.31Å; C266-H279 VanDerWaalsContact SG-NE2 3.45Å; Q275-H279 VanDerWaalsContact O-CB 3.28Å; Q275-H279 WeakPolarHBondContact O-CB 3.26Å; Q275-H279 PolarHBondContact O-N 3.11Å; L276-H279 WeakPolarHBondContact O-CB 3.06Å; L276-H279 PolarHBondContact O-N 3.21Å; H279-S281 VanDerWaalsContact C-N 3.34Å; H279-S281 PolarHBondContact O-N 2.99Å; H279-S282 WeakPolarHBondContact O-CB 3.3Å; H279-S282 PolarHBondContact O-N 3.32Å; H279-S282 PolarHBondContact O-OG 2.99Å; H279-H285 AromaticContact CD2-ND1 3.71Å; H279-H285 AromaticContact NE2-ND1 3.43Å; H279-H285 PolarHBondContact NE2-ND1 2.66Å; H279-H285 WeakPolarHBondContact O-CB 3.43Å |
| 280 | I | 91.4 | Very high | 87.4 | Confident | 73 Ų | 73 | 87.2 Ų | 87.2 | 37% | 0.374 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 179.3 | -68.3 | 169.1 | 0 | 0 | 0 | 111.2 | L276 K277 S282 H285 | L276-I280 HydrophobicContact CD1-CD1 4.1Å; L276-I280 HydrophobicContact CD1-CG1 4.29Å; L276-I280 HydrophobicContact CD2-CD1 4.17Å; L276-I280 HydrophobicContact CG-CD1 3.75Å; L276-I280 HydrophobicContact CG-CG1 4.33Å; L276-I280 WeakPolarHBondContact O-CB 3.42Å; L276-I280 VanDerWaalsContact O-CG1 3.3Å; L276-I280 WeakPolarHBondContact O-CG1 3.36Å; L276-I280 PolarHBondContact O-N 3.25Å; K277-I280 PolarHBondContact O-N 3.21Å; I280-S282 PolarHBondContact O-N 3.29Å; I280-H285 PolarHBondContact O-CD2 3.21Å |
| 281 | S | 90.1 | Very high | 86.2 | Confident | 79 Ų | 79 | 89.1 Ų | 89.1 | 55% | 0.552 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -67.3 | -20.9 | 175.4 | 78.7 | 0 | 0 | 0 | 0 | 113.6 | K277 Q278 H279 | K277-S281 WeakPolarHBondContact O-CB 3.38Å; K277-S281 PolarHBondContact O-N 3.14Å; K277-S281 PolarHBondContact O-OG 3.48Å; Q278-S281 PolarHBondContact O-N 3.33Å; Q278-S281 PolarHBondContact O-OG 3.06Å; H279-S281 VanDerWaalsContact C-N 3.34Å; H279-S281 PolarHBondContact O-N 2.99Å |
| 282 | S | 90.6 | Very high | 84.8 | Confident | 39 Ų | 39 | 92.2 Ų | 92.2 | 27% | 0.273 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -66.9 | 147.6 | -173.2 | 82.4 | 0 | 0 | 0 | 0 | 112.1 | Q278 H279 I280 R284 H285 R286 | Q278-S282 PolarHBondContact O-N 2.84Å; H279-S282 WeakPolarHBondContact O-CB 3.3Å; H279-S282 PolarHBondContact O-N 3.32Å; H279-S282 PolarHBondContact O-OG 2.99Å; I280-S282 PolarHBondContact O-N 3.29Å; S282-R284 PolarHBondContact O-N 3.38Å; S282-H285 PolarHBondContact O-N 3.46Å; S282-H285 PolarHBondContact OG-N 2.98Å; S282-R286 WeakPolarHBondContact O-CG 3.48Å; S282-R286 PolarHBondContact O-N 2.67Å; S282-R286 VanDerWaalsContact O-N 3.11Å |
| 283 | R | 88.4 | Confident | 83 | Confident | 200 Ų | 200 | 96.1 Ų | 96.1 | 76% | 0.755 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -55.8 | -38.2 | 177.1 | -177.4 | 173.2 | 178.6 | -179.6 | 3.1 | 112.5 | H285 R286 D287 | R283-H285 PolarHBondContact O-N 2.83Å; R283-R286 PolarHBondContact O-N 2.75Å; R283-D287 WeakPolarHBondContact CG-OD2 3.25Å; R283-D287 IonicContact NE-OD2 3.59Å; R283-D287 WeakPolarHBondContact O-CB 3.42Å; R283-D287 PolarHBondContact O-N 3.28Å |
| 284 | R | 85.8 | Confident | 81.3 | Confident | 222 Ų | 222 | 96.5 Ų | 96.5 | 84% | 0.838 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 179.9 | -66.7 | -176.9 | -176.3 | 174.2 | 2 | 112.5 | S282 G288 | S282-R284 PolarHBondContact O-N 3.38Å; R284-G288 PolarHBondContact O-N 3.35Å; R284-G288 VanDerWaalsContact O-N 3.16Å |
| 285 | H | 88.9 | Confident | 79.8 | Confident | 14 Ų | 14 | 97.1 Ų | 97.1 | 7% | 0.065 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -66.2 | -48.8 | 174.8 | 179.5 | 87.5 | 0 | 0 | 0 | 110.6 | C263 H279 I280 S282 R283 D287 G288 V289 | C263-H285 PolarHBondContact SG-CE1 3.48Å; C263-H285 PolarHBondContact SG-ND1 3.32Å; H279-H285 AromaticContact CD2-ND1 3.71Å; H279-H285 AromaticContact NE2-ND1 3.43Å; H279-H285 PolarHBondContact NE2-ND1 2.66Å; H279-H285 WeakPolarHBondContact O-CB 3.43Å; I280-H285 PolarHBondContact O-CD2 3.21Å; S282-H285 PolarHBondContact O-N 3.46Å; S282-H285 PolarHBondContact OG-N 2.98Å; R283-H285 PolarHBondContact O-N 2.83Å; H285-D287 VanDerWaalsContact C-N 3.31Å; H285-D287 PolarHBondContact O-N 3.41Å; H285-G288 CarbonylContact O-C 3.58Å; H285-G288 WeakPolarHBondContact O-CA 3.44Å; H285-G288 PolarHBondContact O-N 3.08Å; H285-V289 WeakPolarHBondContact NE2-CG2 3.38Å; H285-V289 VanDerWaalsContact O-CG2 3.26Å; H285-V289 WeakPolarHBondContact O-CG2 3.4Å; H285-V289 PolarHBondContact O-N 2.99Å |
| 286 | R | 87.9 | Confident | 78.3 | Confident | 171 Ų | 171 | 99.3 Ų | 99.3 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.1 | -37.7 | 179.7 | -63.9 | 178.9 | 72.5 | 169.4 | 5.9 | 113.3 | S282 R283 A290 | S282-R286 WeakPolarHBondContact O-CG 3.48Å; S282-R286 PolarHBondContact O-N 2.67Å; S282-R286 VanDerWaalsContact O-N 3.11Å; R283-R286 PolarHBondContact O-N 2.75Å; R286-A290 PolarHBondContact O-N 3.1Å |
| 287 | D | 84.9 | Confident | 76.6 | Confident | 83 Ų | 83 | 104.3 Ų | 104.3 | 44% | 0.444 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 175 | -69.2 | -24.2 | 0 | 0 | 0 | 111.5 | R283 H285 | R283-D287 WeakPolarHBondContact CG-OD2 3.25Å; R283-D287 IonicContact NE-OD2 3.59Å; R283-D287 WeakPolarHBondContact O-CB 3.42Å; R283-D287 PolarHBondContact O-N 3.28Å; H285-D287 VanDerWaalsContact C-N 3.31Å; H285-D287 PolarHBondContact O-N 3.41Å |
| 288 | G | 80.8 | Confident | 74.7 | Confident | 37 Ų | 37 | 104 Ų | 104 | 38% | 0.381 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.3 | -40.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R284 H285 A290 G291 | R284-G288 PolarHBondContact O-N 3.35Å; R284-G288 VanDerWaalsContact O-N 3.16Å; H285-G288 CarbonylContact O-C 3.58Å; H285-G288 WeakPolarHBondContact O-CA 3.44Å; H285-G288 PolarHBondContact O-N 3.08Å; G288-A290 PolarHBondContact O-N 2.83Å; G288-G291 PolarHBondContact O-N 2.98Å |
| 289 | V | 81.2 | Confident | 72.9 | Confident | 80 Ų | 80 | 108.1 Ų | 108.1 | 49% | 0.485 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.9 | -35.1 | 173.1 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | I265 H285 G291 | I265-V289 HydrophobicContact CD1-CG2 3.71Å; I265-V289 HydrophobicContact CG2-CG2 4.07Å; H285-V289 WeakPolarHBondContact NE2-CG2 3.38Å; H285-V289 VanDerWaalsContact O-CG2 3.26Å; H285-V289 WeakPolarHBondContact O-CG2 3.4Å; H285-V289 PolarHBondContact O-N 2.99Å; V289-G291 PolarHBondContact O-N 3.07Å |
| 290 | A | 76.5 | Confident | 71.1 | Confident | 65 Ų | 65 | 114.5 Ų | 114.5 | 54% | 0.537 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.4 | 10.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | R286 G288 K292 | R286-A290 PolarHBondContact O-N 3.1Å; G288-A290 PolarHBondContact O-N 2.83Å; A290-K292 PolarHBondContact O-N 2.78Å |
| 291 | G | 61.5 | Low | 68.9 | Low | 64 Ų | 64 | 120.6 Ų | 120.6 | 66% | 0.66 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66 | 11.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115 | G288 V289 P293 | G288-G291 PolarHBondContact O-N 2.98Å; V289-G291 PolarHBondContact O-N 3.07Å; G291-P293 WeakPolarHBondContact O-CD 3.44Å |
| 292 | K | 52.7 | Low | 66.3 | Low | 165 Ų | 165 | 126 Ų | 126 | 72% | 0.717 | 64% | 0.639 | S | S | * | * | trans | -87 | 104.5 | 175.6 | -72.1 | 174.5 | -179.1 | 176.7 | 0 | 108 | A290 N294 | A290-K292 PolarHBondContact O-N 2.78Å; K292-N294 PolarHBondContact O-N 2.83Å | ||
| 293 | P | 50.3 | Low | 64.1 | Low | 121 Ų | 121 | 129.8 Ų | 129.8 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | trans | -61.2 | 118.5 | 178.6 | 26.1 | -33.8 | 0 | 0 | 0 | 108.4 | G291 P295 | G291-P293 WeakPolarHBondContact O-CD 3.44Å; P293-P295 VanDerWaalsContact O-CD 3.25Å; P293-P295 WeakPolarHBondContact O-CD 3.24Å | ||
| 294 | N | 50.5 | Low | 61.8 | Low | 97 Ų | 97 | 132.4 Ų | 132.4 | 52% | 0.519 | 67% | 0.672 | S | S | . | * | trans | -71.1 | 113.2 | 175.9 | -174.6 | -36.9 | 0 | 0 | 0 | 108.1 | K292 L296 L297 | K292-N294 PolarHBondContact O-N 2.83Å; N294-L296 PolarHBondContact O-N 3.21Å; N294-L296 PolarHBondContact OD1-N 2.92Å; N294-L297 HydrophobicContact CB-CD2 4.36Å; N294-L297 PolarHBondContact O-N 3.46Å | ||
| 295 | P | 58.4 | Low | 59.4 | Low | 115 Ų | 115 | 125.5 Ų | 125.5 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -9.1 | -168.9 | 27.6 | -35.2 | 0 | 0 | 0 | 113.7 | P293 | P293-P295 VanDerWaalsContact O-CD 3.25Å; P293-P295 WeakPolarHBondContact O-CD 3.24Å |
| 296 | L | 57.1 | Low | 57.2 | Low | 140 Ų | 140 | 130 Ų | 130 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -7.5 | -172.8 | -55 | -170 | 0 | 0 | 0 | 114.9 | N294 | N294-L296 PolarHBondContact O-N 3.21Å; N294-L296 PolarHBondContact OD1-N 2.92Å |
| 297 | L | 54.8 | Low | 54.7 | Low | 128 Ų | 128 | 126.4 Ų | 126.4 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | -17.1 | -174.1 | -77.8 | -62.8 | 0 | 0 | 0 | 114.3 | N294 R299 | N294-L297 HydrophobicContact CB-CD2 4.36Å; N294-L297 PolarHBondContact O-N 3.46Å; L297-R299 PolarHBondContact O-N 2.98Å |
| 298 | S | 51.3 | Low | 52.5 | Low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -3.3 | 179.4 | -73.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 299 | R | 54.5 | Low | 50.8 | Low | 221 Ų | 221 | 135.2 Ų | 135.2 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -11.9 | -172.7 | -165 | 163.7 | -178.1 | -168.4 | -1 | 115.5 | L297 | L297-R299 PolarHBondContact O-N 2.98Š|
| 300 | H | 55.4 | Low | 48.7 | Very low | 173 Ų | 173 | 136.6 Ų | 136.6 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -119.9 | 28.6 | -165.1 | -85.4 | 101.2 | 0 | 0 | 0 | 117.6 | ||
| 301 | K | 44.5 | Very low | 46.6 | Very low | 202 Ų | 202 | 136.6 Ų | 136.6 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | trans | -124.2 | 78.8 | 157.4 | -81.4 | -164.6 | 173.8 | -174.5 | 0 | 111.8 | P303 | K301-P303 WeakPolarHBondContact O-CD 3.24Š| ||
| 302 | K | 36.5 | Very low | 45.4 | Very low | 193 Ų | 193 | 140 Ų | 140 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -87.7 | 107.6 | 160.5 | -172.4 | 85.6 | 174.7 | -176.5 | 0 | 107.2 | R304 | K302-R304 PolarHBondContact O-N 2.93Š| ||
| 303 | P | 43.3 | Very low | 44.7 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -66.2 | 134.1 | 167.3 | 28 | -31.5 | 0 | 0 | 0 | 108.7 | K301 | K301-P303 WeakPolarHBondContact O-CD 3.24Š| ||
| 304 | R | 41.6 | Very low | 44 | Very low | 255 Ų | 255 | 141.2 Ų | 141.2 | 96% | 0.962 | 80% | 0.796 | S | S | * | * | trans | -103.5 | 109.7 | 174.7 | -174.1 | 179.8 | -172.4 | 167.8 | 1.7 | 107.4 | K302 | K302-R304 PolarHBondContact O-N 2.93Š| ||
| 305 | G | 34.5 | Very low | 43.1 | Very low | 78 Ų | 78 | 145.4 Ų | 145.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -173 | 139.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 306 | A | 42.4 | Very low | 42.3 | Very low | 107 Ų | 107 | 145.8 Ų | 145.8 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | trans | -122.2 | 137 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 307 | A | 36.6 | Very low | 41.5 | Very low | 96 Ų | 96 | 146.5 Ų | 146.5 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | 178.7 | 115.1 | 154.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 308 | E | 39.1 | Very low | 40.5 | Very low | 160 Ų | 160 | 147 Ų | 147 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | 74 | 118.3 | 76.9 | -96.9 | -75.9 | 80.3 | 0 | 0 | 115.4 | |||||
| 309 | L | 44.3 | Very low | 39.9 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | 68.8 | 150.9 | 161.3 | -54.9 | -178.1 | 0 | 0 | 0 | 123.7 | ||||
| 310 | A | 35.9 | Very low | 40 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | 68.8 | 129 | 175.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 311 | G | 33 | Very low | 39.1 | Very low | 65 Ų | 65 | 142.1 Ų | 142.1 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | cis | 179.3 | 173.4 | -5.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 312 | T | 36.4 | Very low | 38.4 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | 56 | 93.5 | 156.7 | 56.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 313 | L | 39 | Very low | 38.3 | Very low | 165 Ų | 165 | 136.3 Ų | 136.3 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | 14.1 | 126.2 | 123.2 | -56.3 | 171.7 | 0 | 0 | 0 | 119.1 | |||||
| 314 | T | 34.8 | Very low | 37.6 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -137.4 | 126.3 | 132.2 | 37.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 315 | F | 32.1 | Very low | 37.1 | Very low | 185 Ų | 185 | 127.5 Ų | 127.5 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -103.7 | 128.9 | 178 | -154.9 | -90.7 | 0 | 0 | 0 | 107 | K317 | F315-K317 HydrophobicContact CD1-CB 4.21Å; F315-K317 HydrophobicContact CE1-CB 4.38Å | ||
| 316 | S | 42 | Very low | 36.9 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -114.5 | 125.8 | 169 | -63.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 317 | K | 40.4 | Very low | 36.5 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 67% | 0.674 | 78% | 0.784 | S | S | * | * | trans | -124.4 | 166.1 | -167.6 | -173 | -172.7 | 147.3 | 176.7 | 0 | 108.8 | F315 | F315-K317 HydrophobicContact CD1-CB 4.21Å; F315-K317 HydrophobicContact CE1-CB 4.38Å | ||
| 318 | E | 33.4 | Very low | 36.8 | Very low | 139 Ų | 139 | 133.1 Ų | 133.1 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | trans | 81.5 | 140 | 171.1 | -51.7 | -63.9 | 75.5 | 0 | 0 | 115.9 | ||||
| 319 | L | 38.3 | Very low | 36.8 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | cis | -164.8 | 154.3 | -20.8 | -163.6 | 132.2 | 0 | 0 | 0 | 108.4 | ||||
| 320 | P | 56.5 | Low | 36.6 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 61% | 0.61 | 79% | 0.791 | S | S | * | * | trans | -112.2 | 178 | -173.8 | 40.3 | -31.5 | 0 | 0 | 0 | 115.5 | ||||
| 321 | K | 35.6 | Very low | 36.9 | Very low | 184 Ų | 184 | 130 Ų | 130 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | 106.1 | 146.3 | 177.9 | -63.6 | 175.4 | -159 | 77.7 | 0 | 112.9 | ||||
| 322 | S | 31.4 | Very low | 36.8 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -157.1 | 143.5 | -1.4 | -108.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 323 | L | 33.1 | Very low | 36.8 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | 38.1 | 114.8 | 125.8 | -160.3 | 101.6 | 0 | 0 | 0 | 121.6 | |||||
| 324 | A | 29.3 | Very low | 36.6 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -170.7 | 129.2 | 133 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 325 | G | 29.9 | Very low | 36.6 | Very low | 86 Ų | 86 | 128 Ų | 128 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | 80.9 | 106.5 | 142.4 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 326 | G | 31.1 | Very low | 36.7 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 140.4 | 98.7 | 141.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 327 | L | 34.4 | Very low | 36.3 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | 68 | 93.5 | 140.4 | -50.3 | 179 | 0 | 0 | 0 | 120.6 | ||||
| 328 | L | 42.3 | Very low | 36.2 | Very low | 164 Ų | 164 | 126 Ų | 126 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | 50.7 | 117 | 133.2 | -54.9 | 177.3 | 0 | 0 | 0 | 121.3 | ||||
| 329 | P | 39.7 | Very low | 36.3 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -107.7 | 143.7 | 153.3 | 35.2 | -26.8 | 0 | 0 | 0 | 113.8 | ||||
| 330 | S | 39.5 | Very low | 36.2 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | 79.4 | 138.4 | 168.7 | -151.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 331 | P | 41.4 | Very low | 35 | Very low | 112 Ų | 112 | 122.5 Ų | 122.5 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | -138.2 | 150.4 | 94.3 | 38.3 | -26.5 | 0 | 0 | 0 | 116.3 | |||||
| 332 | L | 31.8 | Very low | 35 | Very low | 152 Ų | 152 | 119 Ų | 119 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | trans | 41.5 | 118.6 | 136.6 | -63 | 160.2 | 0 | 0 | 0 | 119 | ||||
| 333 | A | 35.8 | Very low | 35.1 | Very low | 86 Ų | 86 | 117.5 Ų | 117.5 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | 70.2 | 148.6 | 78.2 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 334 | V | 35.1 | Very low | 35.4 | Very low | 135 Ų | 135 | 114.9 Ų | 114.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | cis | -159.7 | 152.4 | 35.7 | 166.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 335 | A | 34.7 | Very low | 36.5 | Very low | 97 Ų | 97 | 115.1 Ų | 115.1 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | 150.3 | 145.5 | 131.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 336 | A | 34.3 | Very low | 36.7 | Very low | 91 Ų | 91 | 118.2 Ų | 118.2 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | cis | -169.8 | 151 | -25.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 337 | V | 34.9 | Very low | 36.7 | Very low | 149 Ų | 149 | 119.4 Ų | 119.4 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | trans | 178.9 | 147.4 | 137.1 | 147.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 338 | M | 37.3 | Very low | 36.5 | Very low | 183 Ų | 183 | 118.8 Ų | 118.8 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -104.8 | 175.8 | -158.7 | -78.4 | -75.3 | -165.2 | 0 | 0 | 115 | ||||
| 339 | A | 36.1 | Very low | 36.3 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 92 | 135.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 340 | A | 35.2 | Very low | 36.4 | Very low | 94 Ų | 94 | 120.9 Ų | 120.9 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | cis | -162.2 | 157.8 | -16.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 341 | A | 33.1 | Very low | 36.1 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | 60.6 | 123.3 | 151 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 342 | A | 34.9 | Very low | 36.4 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | 52.2 | 145.7 | 144.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 343 | G | 32.5 | Very low | 36.4 | Very low | 74 Ų | 74 | 118.2 Ų | 118.2 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | cis | 173.4 | 133.2 | -1.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 344 | S | 39.7 | Very low | 36.5 | Very low | 115 Ų | 115 | 118.6 Ų | 118.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -80.4 | -169.7 | -171 | -30.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 345 | P | 52.8 | Low | 37.1 | Very low | 105 Ų | 105 | 117.8 Ų | 117.8 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | cis | -139.9 | -167.2 | -11.4 | 23.3 | 3.9 | 0 | 0 | 0 | 114.8 | ||||
| 346 | L | 33.3 | Very low | 37.1 | Very low | 151 Ų | 151 | 121.1 Ų | 121.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 109 | 110.1 | 143.6 | -55.6 | -177.7 | 0 | 0 | 0 | 121.5 | ||||
| 347 | S | 31.8 | Very low | 37.3 | Very low | 95 Ų | 95 | 124.6 Ų | 124.6 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | 80.2 | 127.8 | 118.1 | -72.7 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 348 | L | 31.1 | Very low | 37.3 | Very low | 152 Ų | 152 | 127 Ų | 127 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | 87.6 | 92 | 132.4 | -69.5 | 166.8 | 0 | 0 | 0 | 123.4 | ||||
| 349 | R | 37.6 | Very low | 37.3 | Very low | 227 Ų | 227 | 121.6 Ų | 121.6 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | 67.9 | -174.9 | 121.1 | -136.2 | 129.1 | 154.9 | 89.5 | 3.7 | 116.6 | |||||
| 350 | P | 42 | Very low | 38.1 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | -137.3 | 178.4 | -111.4 | 44.5 | -25 | 0 | 0 | 0 | 118.5 | |||||
| 351 | A | 33.4 | Very low | 38.7 | Very low | 90 Ų | 90 | 124 Ų | 124 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | 77.8 | -177.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 352 | P | 47 | Very low | 39.4 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | -132.2 | 160.3 | -86.7 | 39.8 | -24.7 | 0 | 0 | 0 | 115.4 | |||||
| 353 | A | 32.8 | Very low | 39.6 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -165.2 | 156.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 354 | A | 37.8 | Very low | 39.9 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -123.5 | -160.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 355 | P | 46.4 | Very low | 40.2 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | -105.9 | 168.9 | -97.6 | 38.8 | -27.9 | 0 | 0 | 0 | 113.1 | |||||
| 356 | L | 34.8 | Very low | 39.7 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -143.4 | 149.1 | 169 | -88.5 | -173.2 | 0 | 0 | 0 | 115.1 | ||||
| 357 | L | 39.6 | Very low | 40 | Very low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | trans | 84.7 | 96.7 | 164.5 | -64.2 | 167.8 | 0 | 0 | 0 | 119.5 | ||||
| 358 | Q | 33.7 | Very low | 40.8 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -55.1 | 153 | 155 | -70.3 | 150.3 | -83.1 | 0 | 0 | 113.2 | ||||
| 359 | G | 37.7 | Very low | 41.5 | Very low | 70 Ų | 70 | 137.8 Ų | 137.8 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | -132.1 | 144 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 360 | P | 53.5 | Low | 41.6 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -84.7 | 166.3 | -169 | -10.5 | 29.7 | 0 | 0 | 0 | 115 | ||||
| 361 | P | 47.7 | Very low | 41.9 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -88.1 | 146 | -172.1 | 35.1 | -34.5 | 0 | 0 | 0 | 113.7 | ||||
| 362 | I | 47.7 | Very low | 42.8 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -109.3 | 136.3 | 162.1 | -59.6 | -179 | 0 | 0 | 0 | 108.1 | ||||
| 363 | T | 38.1 | Very low | 42.8 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 60% | 0.595 | 80% | 0.799 | S | S | * | * | trans | -114.4 | 161.3 | -168.3 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 364 | H | 40.6 | Very low | 43.5 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | 73.2 | 163.9 | 164.9 | -57 | -61.6 | 0 | 0 | 0 | 115.9 | ||||
| 365 | P | 43.9 | Very low | 44 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | -128.7 | -173.3 | -102.6 | 24 | 2.1 | 0 | 0 | 0 | 111.2 | |||||
| 366 | L | 42.8 | Very low | 44 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | 176.7 | 127.3 | 128.1 | -94.5 | 162.5 | 0 | 0 | 0 | 110 | H368 | L366-H368 PolarHBondContact O-N 3.29Š| |||
| 367 | L | 41.1 | Very low | 44.4 | Very low | 166 Ų | 166 | 138 Ų | 138 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 118.5 | 178.2 | -67.2 | 144.7 | 0 | 0 | 0 | 109.1 | P369 | L367-P369 WeakPolarHBondContact O-CD 2.99Š|
| 368 | H | 48.7 | Very low | 44.6 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 122.7 | 165.3 | -98.1 | -108.6 | 0 | 0 | 0 | 109.6 | L366 | L366-H368 PolarHBondContact O-N 3.29Š|
| 369 | P | 45.1 | Very low | 45.5 | Very low | 117 Ų | 117 | 133 Ų | 133 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 142.5 | 173.1 | -18.9 | 33.2 | 0 | 0 | 0 | 111.2 | L367 | L367-P369 WeakPolarHBondContact O-CD 2.99Š|
| 370 | A | 39.8 | Very low | 46.5 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 144.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G372 | A370-G372 PolarHBondContact O-N 3.03Š|
| 371 | P | 48.1 | Very low | 46.5 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 90% | 0.896 | 79% | 0.794 | S | S | * | * | trans | -65.1 | 108.3 | 171.1 | -18.8 | 31.9 | 0 | 0 | 0 | 110.7 | ||||
| 372 | G | 52.5 | Low | 46.7 | Very low | 57 Ų | 57 | 139.5 Ų | 139.5 | 59% | 0.588 | 80% | 0.8 | S | S | * | * | trans | -73.3 | 159.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | A370 I374 | A370-G372 PolarHBondContact O-N 3.03Å; G372-I374 PolarHBondContact O-N 3.46Å | ||
| 373 | P | 46.7 | Very low | 47.1 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -75.4 | 121.2 | -179 | -8.6 | 25.6 | 0 | 0 | 0 | 111.2 | R375 | P373-R375 PolarHBondContact O-N 2.95Å; P373-R375 VanDerWaalsContact O-N 3.11Å | ||
| 374 | I | 48.3 | Very low | 47.3 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -70.6 | 107 | 172.2 | -59.2 | 174.2 | 0 | 0 | 0 | 108.4 | G372 T376 | G372-I374 PolarHBondContact O-N 3.46Å; I374-T376 PolarHBondContact O-N 3.31Å | ||
| 375 | R | 46.7 | Very low | 48.5 | Very low | 233 Ų | 233 | 138.6 Ų | 138.6 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -78.8 | 114 | 169.1 | -58 | -176.6 | 78.2 | -164.3 | 4.4 | 108.4 | P373 A377 | P373-R375 PolarHBondContact O-N 2.95Å; P373-R375 VanDerWaalsContact O-N 3.11Å; R375-A377 PolarHBondContact O-N 2.6Å | ||
| 376 | T | 46.5 | Very low | 48.5 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 119.8 | 168.5 | 46.4 | 0 | 0 | 0 | 0 | 109.5 | I374 | I374-T376 PolarHBondContact O-N 3.31Š|
| 377 | A | 44.3 | Very low | 48.8 | Very low | 97 Ų | 97 | 147.1 Ų | 147.1 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 156.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R375 | R375-A377 PolarHBondContact O-N 2.6Š|
| 378 | H | 43 | Very low | 49.2 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 135.4 | -179.6 | -72.9 | -117.8 | 0 | 0 | 0 | 111.9 | ||
| 379 | G | 53 | Low | 49.2 | Very low | 67 Ų | 67 | 143.8 Ų | 143.8 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 144.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 380 | P | 58 | Low | 49.5 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 156.9 | -177.1 | 31 | -35 | 0 | 0 | 0 | 113.2 | ||
| 381 | I | 53.8 | Low | 50.1 | Low | 142 Ų | 142 | 148.8 Ų | 148.8 | 73% | 0.728 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 138.8 | -176.8 | -63.2 | 157.2 | 0 | 0 | 0 | 110.6 | F383 | I381-F383 HydrophobicContact CG2-CD2 3.8Š|
| 382 | L | 53.2 | Low | 50.2 | Low | 171 Ų | 171 | 149.5 Ų | 149.5 | 90% | 0.895 | 83% | 0.827 | S | S | * | * | trans | -128.8 | 106.4 | 153.2 | -78.9 | 174.7 | 0 | 0 | 0 | 109.3 | ||||
| 383 | F | 54.8 | Low | 50.1 | Low | 189 Ų | 189 | 156.1 Ų | 156.1 | 83% | 0.829 | 84% | 0.844 | S | S | * | * | trans | -85.2 | 135.1 | 161.2 | -102.4 | -107.3 | 0 | 0 | 0 | 108 | I381 | I381-F383 HydrophobicContact CG2-CD2 3.8Š| ||
| 384 | S | 43.3 | Very low | 50.3 | Low | 114 Ų | 114 | 158.3 Ų | 158.3 | 80% | 0.797 | 85% | 0.846 | S | S | * | * | trans | -128.6 | 115.4 | 163.2 | -71.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 385 | P | 65.5 | Low | 50.5 | Low | 119 Ų | 119 | 157.9 Ų | 157.9 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | trans | -93.4 | 128.1 | 172 | 33.7 | -28.6 | 0 | 0 | 0 | 111.1 | ||||
| 386 | Y | 43.8 | Very low | 50.8 | Low | 305 Ų | 305 | 151.1 Ų | 151.1 | 100% | 1.196 | 84% | 0.844 | S | S | * | * | trans | -154.2 | 0 | 145.3 | -149 | -90.7 | 0 | 0 | 0 | 109.4 |
Retrieved 386 of 386 residues in 70.7 ms
(Link to these results)