| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.7 | Very low | 49.2 | Very low | 253 Ų | 253 | 166.7 Ų | 166.7 | 100% | 1.246 | 91% | 0.907 | S | S | * | * | 0 | 115.6 | 0 | -71.1 | 161.3 | 107.5 | 0 | 0 | 107.2 | |||||
| 2 | A | 58.2 | Low | 47.8 | Very low | 96 Ų | 96 | 170.7 Ų | 170.7 | 79% | 0.793 | 91% | 0.909 | S | S | * | * | trans | -125 | 130 | 170.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 3 | P | 60.6 | Low | 47.2 | Very low | 135 Ų | 135 | 166.8 Ų | 166.8 | 88% | 0.877 | 90% | 0.904 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 134.9 | -168.1 | 29.5 | -32.8 | 0 | 0 | 0 | 112 | ||
| 4 | K | 53.9 | Low | 46.2 | Very low | 210 Ų | 210 | 166.4 Ų | 166.4 | 91% | 0.913 | 90% | 0.901 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 131 | 169.3 | -91.3 | 179.4 | 172.3 | 177 | 0 | 109.7 | ||
| 5 | A | 64.4 | Low | 45.6 | Very low | 98 Ų | 98 | 164.1 Ų | 164.1 | 81% | 0.81 | 89% | 0.888 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 144.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 6 | P | 47 | Very low | 45.4 | Very low | 129 Ų | 129 | 163.5 Ų | 163.5 | 84% | 0.838 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -93 | 140.5 | -177 | 35 | -32.3 | 0 | 0 | 0 | 113.5 | ||
| 7 | A | 47 | Very low | 45 | Very low | 103 Ų | 103 | 160.9 Ų | 160.9 | 85% | 0.851 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 129.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 8 | K | 46.7 | Very low | 44.5 | Very low | 216 Ų | 216 | 161.4 Ų | 161.4 | 94% | 0.939 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 129.5 | 175.1 | -92.7 | 178.9 | 172.7 | 178.6 | 0 | 111.8 | ||
| 9 | K | 41.3 | Very low | 44.1 | Very low | 203 Ų | 203 | 161.7 Ų | 161.7 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 143.1 | 166.8 | -82.6 | 173.1 | 170.9 | 176.8 | 0 | 111 | ||
| 10 | Q | 38.8 | Very low | 43.5 | Very low | 198 Ų | 198 | 159.7 Ų | 159.7 | 93% | 0.925 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 127.2 | 160.6 | -82.6 | 177.6 | -32.6 | 0 | 0 | 108.9 | ||
| 11 | E | 39.4 | Very low | 43.5 | Very low | 193 Ų | 193 | 161.4 Ų | 161.4 | 90% | 0.902 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 139.2 | 171 | -71.5 | 173.5 | 161 | 0 | 0 | 110.3 | ||
| 12 | K | 32.3 | Very low | 43.1 | Very low | 214 Ų | 214 | 154.5 Ų | 154.5 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | trans | -112 | 123.8 | 160.9 | -81.9 | -176.4 | 177.1 | 180 | 0 | 107.1 | ||||
| 13 | S | 40.1 | Very low | 42.3 | Very low | 121 Ų | 121 | 155.5 Ų | 155.5 | 85% | 0.846 | 83% | 0.83 | S | S | * | * | trans | -100.3 | 116.9 | 171.3 | 53.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 14 | D | 33.1 | Very low | 41 | Very low | 160 Ų | 160 | 158.6 Ų | 158.6 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | trans | -84.2 | 139.2 | 159.1 | -82.5 | -41.2 | 0 | 0 | 0 | 108.4 | ||||
| 15 | N | 38.3 | Very low | 40.3 | Very low | 133 Ų | 133 | 156.5 Ų | 156.5 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | trans | -149.9 | 118.6 | 160.9 | -125.4 | 6 | 0 | 0 | 0 | 112.8 | ||||
| 16 | Q | 41.3 | Very low | 39.2 | Very low | 154 Ų | 154 | 160.4 Ų | 160.4 | 72% | 0.72 | 83% | 0.83 | S | S | * | * | trans | 66.7 | 112 | 131.7 | -69.7 | 177.9 | 35.8 | 0 | 0 | 119.8 | ||||
| 17 | V | 38.4 | Very low | 39 | Very low | 120 Ų | 120 | 158.9 Ų | 158.9 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | 86.4 | 116.9 | 71.3 | 165.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 18 | K | 37.3 | Very low | 38.5 | Very low | 170 Ų | 170 | 163.2 Ų | 163.2 | 74% | 0.739 | 82% | 0.819 | S | S | * | * | 160.3 | 134.8 | 111.8 | -117.5 | 155.3 | -175.4 | 175.8 | 0 | 114.8 | |||||
| 19 | K | 36.1 | Very low | 37.8 | Very low | 167 Ų | 167 | 162.2 Ų | 162.2 | 73% | 0.726 | 82% | 0.815 | S | S | * | * | trans | 69 | 105.5 | 141.6 | -77 | 169.1 | 177.7 | -166.7 | 0 | 119.3 | ||||
| 20 | T | 32.9 | Very low | 37.5 | Very low | 120 Ų | 120 | 157.5 Ų | 157.5 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | 64 | 113.2 | 80.3 | 60.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 21 | Q | 42.5 | Very low | 37.8 | Very low | 196 Ų | 196 | 157 Ų | 157 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | -173.5 | 152.4 | 110.5 | -100.2 | 174.6 | -8.5 | 0 | 0 | 112 | |||||
| 22 | S | 34.9 | Very low | 37.6 | Very low | 109 Ų | 109 | 157.5 Ų | 157.5 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -92 | 149.6 | -164.4 | 48.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 23 | S | 41.7 | Very low | 37.8 | Very low | 117 Ų | 117 | 153.1 Ų | 153.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -175.3 | 104.1 | 131.3 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 24 | K | 33.9 | Very low | 37.5 | Very low | 200 Ų | 200 | 152 Ų | 152 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | 10 | 118.8 | 132.7 | -126.4 | 168.1 | -177 | 176.1 | 0 | 118.1 | ||||
| 25 | N | 40.2 | Very low | 37.9 | Very low | 166 Ų | 166 | 154.1 Ų | 154.1 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | -172.1 | 129.4 | 124.6 | -98.9 | -10.3 | 0 | 0 | 0 | 111.4 | |||||
| 26 | E | 41.1 | Very low | 38 | Very low | 179 Ų | 179 | 152 Ų | 152 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | -129.6 | 173.1 | 177.7 | -115.9 | -163.6 | -167.9 | 0 | 0 | 106.2 | ||||
| 27 | P | 41.5 | Very low | 37.5 | Very low | 98 Ų | 98 | 153.4 Ų | 153.4 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | -132.6 | 177.9 | -57 | 31.4 | -10.8 | 0 | 0 | 0 | 110.8 | |||||
| 28 | K | 37.2 | Very low | 37.6 | Very low | 193 Ų | 193 | 157 Ų | 157 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | 168 | 126.3 | 134.6 | -93.3 | 164.3 | -175.6 | 176.2 | 0 | 114 | ||||
| 29 | K | 31.1 | Very low | 37.6 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | 47.7 | 118.1 | 142.1 | -76 | 179.8 | 172.5 | 178.7 | 0 | 119.9 | ||||
| 30 | S | 35.3 | Very low | 37.5 | Very low | 104 Ų | 104 | 154 Ų | 154 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | -177.7 | 131.2 | 103.7 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 31 | Q | 45.3 | Very low | 37.8 | Very low | 188 Ų | 188 | 158.3 Ų | 158.3 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | trans | 71.3 | 111.8 | 139.5 | -63 | 170.3 | -2.5 | 0 | 0 | 121.8 | ||||
| 32 | K | 34.3 | Very low | 37.3 | Very low | 202 Ų | 202 | 152.4 Ų | 152.4 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | trans | -71.4 | 160.3 | 152.3 | -75.4 | 178.1 | 173.7 | 172.5 | 0 | 109.7 | ||||
| 33 | P | 37.8 | Very low | 37.5 | Very low | 122 Ų | 122 | 153.4 Ų | 153.4 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | -142.4 | 156 | 100 | 29.9 | -10.8 | 0 | 0 | 0 | 116.3 | |||||
| 34 | S | 33 | Very low | 36.9 | Very low | 98 Ų | 98 | 157.4 Ų | 157.4 | 69% | 0.685 | 82% | 0.821 | S | S | * | * | trans | -28.9 | 146.2 | 163 | 52.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 35 | K | 41.7 | Very low | 37 | Very low | 205 Ų | 205 | 152 Ų | 152 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | trans | 165.6 | 132.2 | 139 | -90.1 | 157.8 | -171.3 | -177.7 | 0 | 106.2 | ||||
| 36 | S | 40.2 | Very low | 36.6 | Very low | 89 Ų | 89 | 146.9 Ų | 146.9 | 62% | 0.622 | 81% | 0.809 | S | S | * | * | cis | -171.1 | 133.9 | 1.9 | 46.9 | 0 | 0 | 0 | 0 | 104.6 | K38 | S36-K38 PolarHBondContact O-N 3.18Š| ||
| 37 | L | 32 | Very low | 36 | Very low | 182 Ų | 182 | 148 Ų | 148 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | trans | -57.1 | 117.1 | 165.3 | -67.1 | 159.8 | 0 | 0 | 0 | 108.2 | ||||
| 38 | K | 40.2 | Very low | 35.8 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 85% | 0.852 | 82% | 0.817 | S | S | * | * | trans | -117.3 | 123.2 | 163 | -87.4 | -172.8 | 178.5 | 178.7 | 0 | 109.8 | S36 | S36-K38 PolarHBondContact O-N 3.18Š| ||
| 39 | A | 37.7 | Very low | 35.7 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -63.4 | 156.5 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 40 | L | 32.3 | Very low | 36.1 | Very low | 174 Ų | 174 | 146 Ų | 146 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -48.1 | 127.8 | 166.4 | -64.7 | 146.2 | 0 | 0 | 0 | 111.1 | ||||
| 41 | K | 40.3 | Very low | 36.3 | Very low | 212 Ų | 212 | 145.6 Ų | 145.6 | 92% | 0.922 | 82% | 0.816 | S | S | * | * | trans | -118.8 | 108.4 | 151 | -84.2 | -172.5 | 175.8 | -176 | 0 | 107.5 | ||||
| 42 | G | 31.8 | Very low | 36.1 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | trans | -76 | 145.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 43 | V | 38 | Very low | 37.1 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 79% | 0.788 | 81% | 0.806 | S | S | * | * | trans | -144.3 | 131.4 | 150.9 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 44 | K | 30.8 | Very low | 38 | Very low | 202 Ų | 202 | 141.4 Ų | 141.4 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | trans | -84.4 | 123.4 | 179.2 | -156.3 | 179.4 | -174.4 | -177.7 | 0 | 107 | ||||
| 45 | G | 35.1 | Very low | 39.5 | Very low | 87 Ų | 87 | 142.2 Ų | 142.2 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 53.3 | 73.9 | 164 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 46 | G | 32.2 | Very low | 41.1 | Very low | 58 Ų | 58 | 135.9 Ų | 135.9 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 170.7 | 118.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V48 | G46-V48 PolarHBondContact O-N 2.95Š|
| 47 | K | 29.1 | Very low | 43 | Very low | 203 Ų | 203 | 135 Ų | 135 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -37.5 | 121.5 | -172.2 | -80.3 | 167.3 | 170.7 | 171.5 | 0 | 115.3 | ||||
| 48 | V | 37.4 | Very low | 45.5 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -116.8 | 102.2 | 151.4 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | G46 K50 | G46-V48 PolarHBondContact O-N 2.95Å; V48-K50 PolarHBondContact O-N 3.4Å; V48-K50 VanDerWaalsContact O-N 3.13Å | ||
| 49 | V | 33.6 | Very low | 47.6 | Very low | 132 Ų | 132 | 122.1 Ų | 122.1 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | trans | -77 | 93.6 | 175.4 | -174.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 50 | K | 39.2 | Very low | 49.7 | Very low | 189 Ų | 189 | 122.1 Ų | 122.1 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -86.8 | 116 | 170.3 | -130.5 | 176 | -173.3 | 173.4 | 0 | 108.2 | V48 G52 | V48-K50 PolarHBondContact O-N 3.4Å; V48-K50 VanDerWaalsContact O-N 3.13Å; K50-G52 PolarHBondContact O-N 2.99Å | ||
| 51 | A | 40.5 | Very low | 52.3 | Low | 95 Ų | 95 | 121.3 Ų | 121.3 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | -35.7 | 121.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N53 | A51-N53 PolarHBondContact O-N 3.27Š| ||
| 52 | G | 41.6 | Very low | 54.5 | Low | 71 Ų | 71 | 114.1 Ų | 114.1 | 73% | 0.732 | 69% | 0.689 | S | S | * | * | trans | -68.3 | 91.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K50 K54 | K50-G52 PolarHBondContact O-N 2.99Å; G52-K54 VanDerWaalsContact C-N 3.26Å; G52-K54 PolarHBondContact O-N 3.02Å | ||
| 53 | N | 54.2 | Low | 57.1 | Low | 151 Ų | 151 | 113.2 Ų | 113.2 | 81% | 0.807 | 67% | 0.668 | S | S | * | * | trans | -71 | 95.3 | 156.1 | -150.5 | -3 | 0 | 0 | 0 | 105.8 | A51 K55 | A51-N53 PolarHBondContact O-N 3.27Å; N53-K55 PolarHBondContact O-N 3.09Å | ||
| 54 | K | 57.3 | Low | 59.3 | Low | 202 Ų | 202 | 115 Ų | 115 | 88% | 0.878 | 66% | 0.664 | S | S | * | * | trans | -59 | 87.1 | 174.9 | -84.1 | -179.7 | -179.9 | 172.8 | 0 | 107.2 | G52 S56 | G52-K54 VanDerWaalsContact C-N 3.26Å; G52-K54 PolarHBondContact O-N 3.02Å; K54-S56 PolarHBondContact O-N 3.16Å; K54-S56 VanDerWaalsContact O-N 3.1Å | ||
| 55 | K | 63.9 | Low | 61.8 | Low | 115 Ų | 115 | 107.9 Ų | 107.9 | 50% | 0.5 | 64% | 0.644 | S | S | . | * | trans | -48.2 | 121.3 | 170.1 | -82.5 | -169.3 | -175.4 | -177 | 0 | 106.8 | N53 S59 L60 L63 | N53-K55 PolarHBondContact O-N 3.09Å; K55-S59 VanDerWaalsContact C-OG 3.3Å; K55-S59 WeakPolarHBondContact CA-OG 3.29Å; K55-S59 VanDerWaalsContact CB-OG 3.23Å; K55-S59 WeakPolarHBondContact CB-OG 3.39Å; K55-L60 HydrophobicContact CB-CD2 3.81Å; K55-L60 HydrophobicContact CB-CG 3.89Å; K55-L60 HydrophobicContact CD-CD2 4.34Å; K55-L63 HydrophobicContact CD-CD1 3.84Å | ||
| 56 | S | 76.2 | Confident | 64.2 | Low | 72 Ų | 72 | 109.5 Ų | 109.5 | 50% | 0.503 | 63% | 0.628 | S | S | . | * | trans | -49.7 | 148 | -179.8 | 64.3 | 0 | 0 | 0 | 0 | 109.7 | K54 A58 S59 L60 | K54-S56 PolarHBondContact O-N 3.16Å; K54-S56 VanDerWaalsContact O-N 3.1Å; S56-A58 PolarHBondContact O-N 3.4Å; S56-S59 PolarHBondContact N-OG 2.89Å; S56-S59 VanDerWaalsContact N-OG 3.12Å; S56-S59 PolarHBondContact O-N 3.39Å; S56-S59 PolarHBondContact O-OG 3.33Å; S56-S59 PolarHBondContact OG-N 3.1Å; S56-S59 PolarHBondContact OG-OG 3.32Å; S56-L60 PolarHBondContact O-N 2.91Å | ||
| 57 | A | 80.4 | Confident | 66.6 | Low | 71 Ų | 71 | 115 Ų | 115 | 59% | 0.587 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -51.6 | -33.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K61 | A57-K61 WeakPolarHBondContact O-CB 3.48Å; A57-K61 VanDerWaalsContact O-CG 3.29Å; A57-K61 WeakPolarHBondContact O-CG 3.33Å; A57-K61 PolarHBondContact O-N 2.91Å |
| 58 | A | 84.6 | Confident | 68.9 | Low | 69 Ų | 69 | 108.5 Ų | 108.5 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62 | -48.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S56 L60 K61 A62 | S56-A58 PolarHBondContact O-N 3.4Å; A58-L60 PolarHBondContact O-N 2.98Å; A58-K61 PolarHBondContact O-N 3.37Å; A58-A62 PolarHBondContact O-N 3.12Å |
| 59 | S | 82.6 | Confident | 70.9 | Confident | 38 Ų | 38 | 108.4 Ų | 108.4 | 27% | 0.266 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.4 | -33.4 | 179.2 | 70.4 | 0 | 0 | 0 | 0 | 113.2 | K55 S56 A62 L63 | K55-S59 VanDerWaalsContact C-OG 3.3Å; K55-S59 WeakPolarHBondContact CA-OG 3.29Å; K55-S59 VanDerWaalsContact CB-OG 3.23Å; K55-S59 WeakPolarHBondContact CB-OG 3.39Å; S56-S59 PolarHBondContact N-OG 2.89Å; S56-S59 VanDerWaalsContact N-OG 3.12Å; S56-S59 PolarHBondContact O-N 3.39Å; S56-S59 PolarHBondContact O-OG 3.33Å; S56-S59 PolarHBondContact OG-N 3.1Å; S56-S59 PolarHBondContact OG-OG 3.32Å; S59-A62 PolarHBondContact O-N 3.47Å; S59-L63 WeakPolarHBondContact O-CB 3.47Å; S59-L63 WeakPolarHBondContact O-CG 3.29Å; S59-L63 PolarHBondContact O-N 2.84Å |
| 60 | L | 83.8 | Confident | 73.2 | Confident | 98 Ų | 98 | 107.4 Ų | 107.4 | 51% | 0.513 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.1 | -41.4 | 172.7 | -69.5 | 175.7 | 0 | 0 | 0 | 111.7 | K55 S56 A58 K64 | K55-L60 HydrophobicContact CB-CD2 3.81Å; K55-L60 HydrophobicContact CB-CG 3.89Å; K55-L60 HydrophobicContact CD-CD2 4.34Å; S56-L60 PolarHBondContact O-N 2.91Å; A58-L60 PolarHBondContact O-N 2.98Å; L60-K64 WeakPolarHBondContact O-CB 3.49Å; L60-K64 PolarHBondContact O-N 3.43Å |
| 61 | K | 85.2 | Confident | 74.8 | Confident | 158 Ų | 158 | 103.6 Ų | 103.6 | 69% | 0.687 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.2 | -45.6 | 173.9 | -76.4 | 176.7 | -177.8 | -177.9 | 0 | 111.4 | A57 A58 K64 A65 | A57-K61 WeakPolarHBondContact O-CB 3.48Å; A57-K61 VanDerWaalsContact O-CG 3.29Å; A57-K61 WeakPolarHBondContact O-CG 3.33Å; A57-K61 PolarHBondContact O-N 2.91Å; A58-K61 PolarHBondContact O-N 3.37Å; K61-K64 PolarHBondContact O-N 3.34Å; K61-A65 WeakPolarHBondContact O-CB 3.41Å; K61-A65 PolarHBondContact O-N 3.09Å |
| 62 | A | 86.3 | Confident | 76.1 | Confident | 60 Ų | 60 | 100.3 Ų | 100.3 | 50% | 0.496 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61 | -45.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A58 S59 K64 A65 Q66 | A58-A62 PolarHBondContact O-N 3.12Å; S59-A62 PolarHBondContact O-N 3.47Å; A62-K64 PolarHBondContact O-N 2.95Å; A62-A65 PolarHBondContact O-N 2.92Å; A62-Q66 WeakPolarHBondContact O-CB 3.35Å; A62-Q66 PolarHBondContact O-N 2.92Å |
| 63 | L | 87.3 | Confident | 77.5 | Confident | 53 Ų | 53 | 100.9 Ų | 100.9 | 28% | 0.277 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.9 | -37.2 | 176.7 | -74.3 | 168.5 | 0 | 0 | 0 | 112.6 | K55 S59 R67 | K55-L63 HydrophobicContact CD-CD1 3.84Å; S59-L63 WeakPolarHBondContact O-CB 3.47Å; S59-L63 WeakPolarHBondContact O-CG 3.29Å; S59-L63 PolarHBondContact O-N 2.84Å; L63-R67 WeakPolarHBondContact O-CB 3.29Å; L63-R67 VanDerWaalsContact O-CG 3.26Å; L63-R67 WeakPolarHBondContact O-CG 2.96Å; L63-R67 PolarHBondContact O-N 3.18Å |
| 64 | K | 83.5 | Confident | 78.3 | Confident | 166 Ų | 166 | 102.4 Ų | 102.4 | 72% | 0.722 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.7 | -42 | 175 | -171.8 | 177.2 | -179.8 | 179.2 | 0 | 111.3 | L60 K61 A62 R67 A68 | L60-K64 WeakPolarHBondContact O-CB 3.49Å; L60-K64 PolarHBondContact O-N 3.43Å; K61-K64 PolarHBondContact O-N 3.34Å; A62-K64 PolarHBondContact O-N 2.95Å; K64-R67 PolarHBondContact O-N 3.14Å; K64-A68 WeakPolarHBondContact O-CB 3.47Å; K64-A68 PolarHBondContact O-N 3.45Å |
| 65 | A | 84.6 | Confident | 78.7 | Confident | 54 Ų | 54 | 97.3 Ų | 97.3 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.7 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K61 A62 R67 A68 V69 | K61-A65 WeakPolarHBondContact O-CB 3.41Å; K61-A65 PolarHBondContact O-N 3.09Å; A62-A65 PolarHBondContact O-N 2.92Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 2.98Å; A65-A68 WeakPolarHBondContact O-CB 3.4Å; A65-A68 PolarHBondContact O-N 2.82Å; A65-A68 VanDerWaalsContact O-N 3.12Å; A65-V69 WeakPolarHBondContact O-CG2 3.39Å; A65-V69 PolarHBondContact O-N 2.77Å |
| 66 | Q | 85.4 | Confident | 78.9 | Confident | 121 Ų | 121 | 100.7 Ų | 100.7 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -58 | -44.9 | 176.4 | -171.9 | -174.5 | 17.1 | 0 | 0 | 111.8 | A62 V69 T70 | A62-Q66 WeakPolarHBondContact O-CB 3.35Å; A62-Q66 PolarHBondContact O-N 2.92Å; Q66-V69 PolarHBondContact O-N 3.27Å; Q66-T70 PolarHBondContact O-N 3.14Å; Q66-T70 PolarHBondContact O-OG1 2.95Å |
| 67 | R | 81.6 | Confident | 78.5 | Confident | 172 Ų | 172 | 100 Ų | 100 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.8 | -40 | 175.4 | -75.8 | 175.3 | 179 | -178.7 | -1.2 | 112.3 | L63 K64 A65 V69 T70 L71 | L63-R67 WeakPolarHBondContact O-CB 3.29Å; L63-R67 VanDerWaalsContact O-CG 3.26Å; L63-R67 WeakPolarHBondContact O-CG 2.96Å; L63-R67 PolarHBondContact O-N 3.18Å; K64-R67 PolarHBondContact O-N 3.14Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 2.98Å; R67-V69 VanDerWaalsContact C-N 3.35Å; R67-T70 WeakPolarHBondContact CA-OG1 3.43Å; R67-T70 PolarHBondContact O-N 2.95Å; R67-T70 PolarHBondContact O-OG1 3.39Å; R67-L71 VanDerWaalsContact O-CB 3.3Å; R67-L71 WeakPolarHBondContact O-CB 3.37Å; R67-L71 VanDerWaalsContact O-CG 3.26Å; R67-L71 WeakPolarHBondContact O-CG 3.33Å; R67-L71 PolarHBondContact O-N 3.14Å |
| 68 | A | 77.3 | Confident | 78.3 | Confident | 67 Ų | 67 | 106.5 Ų | 106.5 | 55% | 0.554 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.3 | -38.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K64 A65 G72 | K64-A68 WeakPolarHBondContact O-CB 3.47Å; K64-A68 PolarHBondContact O-N 3.45Å; A65-A68 WeakPolarHBondContact O-CB 3.4Å; A65-A68 PolarHBondContact O-N 2.82Å; A65-A68 VanDerWaalsContact O-N 3.12Å; A68-G72 PolarHBondContact O-N 3.46Å |
| 69 | V | 80.2 | Confident | 78 | Confident | 122 Ų | 122 | 112.6 Ų | 112.6 | 74% | 0.739 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.4 | -44.5 | 175.9 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | A65 Q66 R67 | A65-V69 WeakPolarHBondContact O-CG2 3.39Å; A65-V69 PolarHBondContact O-N 2.77Å; Q66-V69 PolarHBondContact O-N 3.27Å; R67-V69 VanDerWaalsContact C-N 3.35Å |
| 70 | T | 80.9 | Confident | 78 | Confident | 111 Ų | 111 | 122 Ų | 122 | 68% | 0.681 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.4 | -35.7 | -179.9 | 30.1 | 0 | 0 | 0 | 0 | 113.6 | Q66 R67 G72 | Q66-T70 PolarHBondContact O-N 3.14Å; Q66-T70 PolarHBondContact O-OG1 2.95Å; R67-T70 WeakPolarHBondContact CA-OG1 3.43Å; R67-T70 PolarHBondContact O-N 2.95Å; R67-T70 PolarHBondContact O-OG1 3.39Å; T70-G72 VanDerWaalsContact C-N 3.34Å |
| 71 | L | 72.5 | Confident | 78 | Confident | 110 Ų | 110 | 121.9 Ų | 121.9 | 58% | 0.576 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -77 | -19 | 179.7 | -70.5 | 168.7 | 0 | 0 | 0 | 113.5 | R67 T75 | R67-L71 VanDerWaalsContact O-CB 3.3Å; R67-L71 WeakPolarHBondContact O-CB 3.37Å; R67-L71 VanDerWaalsContact O-CG 3.26Å; R67-L71 WeakPolarHBondContact O-CG 3.33Å; R67-L71 PolarHBondContact O-N 3.14Å; L71-T75 WeakPolarHBondContact O-CG2 3.31Å; L71-T75 PolarHBondContact O-OG1 2.92Å |
| 72 | G | 68.8 | Low | 78.1 | Confident | 26 Ų | 26 | 121.3 Ų | 121.3 | 27% | 0.268 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 62.6 | 163.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A68 T70 H74 T75 | A68-G72 PolarHBondContact O-N 3.46Å; T70-G72 VanDerWaalsContact C-N 3.34Å; G72-H74 PolarHBondContact O-N 3.07Å; G72-T75 PolarHBondContact O-OG1 3.17Å; G72-T75 VanDerWaalsContact O-OG1 3.09Å |
| 73 | A | 70.4 | Confident | 78.2 | Confident | 83 Ų | 83 | 128.6 Ų | 128.6 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -66.7 | -18.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | T75 K76 | A73-T75 VanDerWaalsContact C-N 3.26Å; A73-T75 PolarHBondContact O-N 2.96Å; A73-K76 PolarHBondContact O-N 2.7Å |
| 74 | H | 71.6 | Confident | 78.3 | Confident | 182 Ų | 182 | 130.1 Ų | 130.1 | 84% | 0.843 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -66.8 | -22.5 | -175.5 | -50.1 | -66 | 0 | 0 | 0 | 113.8 | G72 | G72-H74 PolarHBondContact O-N 3.07Š|
| 75 | T | 66.4 | Low | 78.6 | Confident | 96 Ų | 96 | 129.7 Ų | 129.7 | 59% | 0.589 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -81.4 | -10.8 | -178.7 | 52.2 | 0 | 0 | 0 | 0 | 114 | L71 G72 A73 | L71-T75 WeakPolarHBondContact O-CG2 3.31Å; L71-T75 PolarHBondContact O-OG1 2.92Å; G72-T75 PolarHBondContact O-OG1 3.17Å; G72-T75 VanDerWaalsContact O-OG1 3.09Å; A73-T75 VanDerWaalsContact C-N 3.26Å; A73-T75 PolarHBondContact O-N 2.96Å |
| 76 | K | 68.3 | Low | 79.1 | Confident | 185 Ų | 185 | 136.7 Ų | 136.7 | 80% | 0.804 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -85.2 | -3.7 | -178.3 | -68.9 | -173.5 | 179.5 | 178.9 | 0 | 114.5 | A73 K78 | A73-K76 PolarHBondContact O-N 2.7Å; K76-K78 PolarHBondContact O-N 3.11Å |
| 77 | G | 67.5 | Low | 79.4 | Confident | 57 Ų | 57 | 138.7 Ų | 138.7 | 59% | 0.588 | 70% | 0.701 | S | S | * | * | trans | -77.1 | 103.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | K79 | G77-K79 PolarHBondContact O-N 2.95Å; G77-K79 VanDerWaalsContact O-N 3.08Å | ||
| 78 | K | 76.2 | Confident | 79.8 | Confident | 208 Ų | 208 | 139.8 Ų | 139.8 | 90% | 0.904 | 71% | 0.705 | S | S | * | * | trans | -65.8 | 107.3 | 164.9 | -67.9 | -176.8 | -177.9 | -179.7 | 0 | 108.3 | K76 | K76-K78 PolarHBondContact O-N 3.11Š| ||
| 79 | K | 77.8 | Confident | 80.5 | Confident | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.857 | 71% | 0.714 | S | S | * | * | trans | -62.7 | 135.1 | 171.3 | -66.5 | -177.3 | 179.8 | 179.2 | 0 | 108.6 | G77 V81 | G77-K79 PolarHBondContact O-N 2.95Å; G77-K79 VanDerWaalsContact O-N 3.08Å; K79-V81 PolarHBondContact O-N 3.09Å; K79-V81 VanDerWaalsContact O-N 3.16Å | ||
| 80 | R | 82.6 | Confident | 81.1 | Confident | 237 Ų | 237 | 144.3 Ų | 144.3 | 89% | 0.894 | 71% | 0.705 | S | S | * | * | trans | -67.6 | 113.9 | 171.3 | -67.8 | -147.7 | -63.9 | -121 | 1.6 | 108.3 | ||||
| 81 | V | 84.5 | Confident | 81.8 | Confident | 95 Ų | 95 | 149.4 Ų | 149.4 | 58% | 0.576 | 72% | 0.718 | S | S | * | * | trans | -76 | 124.3 | 175.1 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | K79 Y83 | K79-V81 PolarHBondContact O-N 3.09Å; K79-V81 VanDerWaalsContact O-N 3.16Å; V81-Y83 HydrophobicContact CB-CE1 4.48Å; V81-Y83 HydrophobicContact CB-CE2 4.4Å; V81-Y83 HydrophobicContact CG1-CD1 4.05Å; V81-Y83 HydrophobicContact CG1-CE1 3.79Å; V81-Y83 HydrophobicContact CG1-CE2 4.39Å; V81-Y83 HydrophobicContact CG1-CG 4.48Å | ||
| 82 | M | 86 | Confident | 82.9 | Confident | 146 Ų | 146 | 147.8 Ų | 147.8 | 72% | 0.719 | 71% | 0.713 | S | S | * | * | trans | -91.5 | 113.2 | 168.1 | -63.2 | -171.4 | -177.4 | 0 | 0 | 107.5 | T84 | M82-T84 VanDerWaalsContact C-N 3.29Š| ||
| 83 | Y | 88.7 | Confident | 84.1 | Confident | 212 Ų | 212 | 155.3 Ų | 155.3 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | trans | -79.8 | -13.1 | 179.3 | -63.1 | -76.5 | 0 | 0 | 0 | 113.1 | V81 | V81-Y83 HydrophobicContact CB-CE1 4.48Å; V81-Y83 HydrophobicContact CB-CE2 4.4Å; V81-Y83 HydrophobicContact CG1-CD1 4.05Å; V81-Y83 HydrophobicContact CG1-CE1 3.79Å; V81-Y83 HydrophobicContact CG1-CE2 4.39Å; V81-Y83 HydrophobicContact CG1-CG 4.48Å | ||
| 84 | T | 89.6 | Confident | 85.3 | Confident | 85 Ų | 85 | 159.9 Ų | 159.9 | 52% | 0.521 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -114.7 | 136.9 | -179.4 | 57.9 | 0 | 0 | 0 | 0 | 110.5 | M82 R86 | M82-T84 VanDerWaalsContact C-N 3.29Å; T84-R86 VanDerWaalsContact C-N 3.31Å; T84-R86 PolarHBondContact O-N 3.49Å |
| 85 | T | 90.2 | Very high | 86.4 | Confident | 157 Ų | 157 | 155.8 Ų | 155.8 | 96% | 0.963 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -70.5 | -24.9 | 176.7 | 51 | 0 | 0 | 0 | 0 | 113.3 | ||
| 86 | R | 94.3 | Very high | 87.8 | Confident | 201 Ų | 201 | 155.8 Ų | 155.8 | 76% | 0.758 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -84.8 | 124.8 | 179.6 | -173.7 | 175.4 | -178.6 | 176.8 | 3.2 | 112.2 | T84 | T84-R86 VanDerWaalsContact C-N 3.31Å; T84-R86 PolarHBondContact O-N 3.49Å |
| 87 | F | 91.1 | Very high | 89.1 | Confident | 163 Ų | 163 | 157.7 Ų | 157.7 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | trans | -68.9 | 130.8 | 169.7 | -175 | -101.8 | 0 | 0 | 0 | 111.1 | ||||
| 88 | R | 91.2 | Very high | 90.2 | Very high | 195 Ų | 195 | 160.3 Ų | 160.3 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | -111.8 | 131.2 | 172.7 | -61.9 | -172.9 | -178.7 | -152.9 | 0.4 | 108.7 | ||||
| 89 | R | 91.2 | Very high | 91.1 | Very high | 200 Ų | 200 | 155.1 Ų | 155.1 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -53.6 | 124.5 | 172.5 | 178.2 | 178.5 | 171.6 | 173.2 | 1.2 | 108.6 | ||||
| 90 | P | 93.5 | Very high | 91.9 | Very high | 84 Ų | 84 | 155.5 Ų | 155.5 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | trans | -61.4 | 144 | 177.5 | 26.1 | -33.9 | 0 | 0 | 0 | 109.2 | T92 | P90-T92 PolarHBondContact O-N 3.05Š| ||
| 91 | K | 94.9 | Very high | 92.2 | Very high | 218 Ų | 218 | 150.6 Ų | 150.6 | 95% | 0.948 | 72% | 0.721 | S | S | * | * | trans | -64.2 | 110.3 | 171 | -67.6 | -177.7 | -179.5 | 179.6 | 0 | 107.4 | ||||
| 92 | T | 95.6 | Very high | 92.6 | Very high | 77 Ų | 77 | 155.9 Ų | 155.9 | 47% | 0.472 | 73% | 0.731 | S | S | . | * | trans | -90.7 | 153.4 | 175.6 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | P90 K94 | P90-T92 PolarHBondContact O-N 3.05Å; T92-K94 PolarHBondContact O-N 3.35Å | ||
| 93 | Y | 95.3 | Very high | 92.8 | Very high | 184 Ų | 184 | 158.7 Ų | 158.7 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | -57.4 | 131 | 169.4 | 178.6 | -114.3 | 0 | 0 | 0 | 110 | P95 P96 | Y93-P95 HydrophobicContact CE1-CB 3.89Å; Y93-P96 WeakPolarHBondContact OH-CD 3.44Å | ||
| 94 | K | 95.6 | Very high | 93 | Very high | 178 Ų | 178 | 155.7 Ų | 155.7 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | trans | -110.5 | 108.5 | 172.7 | -67.5 | -176 | -179.7 | -178.2 | 0 | 106.9 | T92 | T92-K94 PolarHBondContact O-N 3.35Š| ||
| 95 | P | 94.8 | Very high | 93 | Very high | 96 Ų | 96 | 159.6 Ų | 159.6 | 62% | 0.623 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 143.9 | -178.2 | 25.7 | -33.2 | 0 | 0 | 0 | 110.7 | Y93 | Y93-P95 HydrophobicContact CE1-CB 3.89Š|
| 96 | P | 96.1 | Very high | 93.1 | Very high | 96 Ų | 96 | 158.7 Ų | 158.7 | 62% | 0.623 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 157.9 | 172.4 | 29.6 | -34.8 | 0 | 0 | 0 | 110.4 | Y93 C98 | Y93-P96 WeakPolarHBondContact OH-CD 3.44Å; P96-C98 PolarHBondContact O-N 2.97Å |
| 97 | R | 94.8 | Very high | 93 | Very high | 225 Ų | 225 | 154.1 Ų | 154.1 | 85% | 0.849 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 120.5 | 175.4 | -69.6 | -177.5 | 173 | 169.9 | -1.6 | 110.1 | ||
| 98 | C | 91.2 | Very high | 93.2 | Very high | 113 Ų | 113 | 155 Ų | 155 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | trans | -121 | 80.3 | 173 | 47.9 | 0 | 0 | 0 | 0 | 110.1 | P96 | P96-C98 PolarHBondContact O-N 2.97Š| ||
| 99 | P | 94 | Very high | 93.3 | Very high | 98 Ų | 98 | 155 Ų | 155 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | -66.7 | 142 | 176.8 | 31.2 | -34.6 | 0 | 0 | 0 | 110 | ||||
| 100 | K | 94 | Very high | 93.3 | Very high | 205 Ų | 205 | 152.4 Ų | 152.4 | 89% | 0.891 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -68.9 | -38.3 | 177.5 | -66.4 | -176.3 | 179.3 | -179.2 | 0 | 111.6 | ||
| 101 | D | 90.9 | Very high | 93.2 | Very high | 134 Ų | 134 | 156.5 Ų | 156.5 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -122.4 | 159.7 | 180 | -59 | -49 | 0 | 0 | 0 | 112.4 | ||
| 102 | R | 91.1 | Very high | 93.2 | Very high | 206 Ų | 206 | 149.8 Ų | 149.8 | 78% | 0.777 | 71% | 0.713 | S | S | * | * | trans | -71.9 | 135.6 | 172.6 | -62.9 | -177.2 | 178.3 | -133.5 | 0.5 | 109.3 | F104 | R102-F104 VanDerWaalsContact C-N 3.27Å; R102-F104 WeakPolarHBondContact CB-O 3.3Å; R102-F104 PolarHBondContact O-N 3.17Å | ||
| 103 | R | 91.7 | Very high | 93.1 | Very high | 206 Ų | 206 | 149.6 Ų | 149.6 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -63.3 | -33.2 | 175.7 | -68.4 | -176.8 | 178.8 | -173.5 | -4.9 | 113.3 | ||
| 104 | F | 91.4 | Very high | 93.2 | Very high | 148 Ų | 148 | 141.1 Ų | 141.1 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | trans | -130.5 | 134.6 | 175.9 | -60.7 | -72.8 | 0 | 0 | 0 | 107.9 | R102 | R102-F104 VanDerWaalsContact C-N 3.27Å; R102-F104 WeakPolarHBondContact CB-O 3.3Å; R102-F104 PolarHBondContact O-N 3.17Å | ||
| 105 | L | 90.8 | Very high | 93.2 | Very high | 167 Ų | 167 | 140.1 Ų | 140.1 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -64.4 | -45.1 | 178 | -73.8 | 157.3 | 0 | 0 | 0 | 111 | ||
| 106 | I | 92.2 | Very high | 93.2 | Very high | 138 Ų | 138 | 141.9 Ų | 141.9 | 71% | 0.708 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -106.8 | 127.4 | -175.4 | -54.9 | 170.9 | 0 | 0 | 0 | 109.4 | ||
| 107 | P | 92.8 | Very high | 93.3 | Very high | 105 Ų | 105 | 138 Ų | 138 | 68% | 0.682 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 141.8 | 173.4 | 28.2 | -33.3 | 0 | 0 | 0 | 110.7 | R109 | P107-R109 PolarHBondContact O-N 3.19Š|
| 108 | K | 94.1 | Very high | 93.4 | Very high | 181 Ų | 181 | 127.7 Ų | 127.7 | 79% | 0.787 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 122.3 | 176.3 | -67.6 | -176.8 | 179.8 | -179.2 | 0 | 109.4 | ||
| 109 | R | 93.1 | Very high | 93.6 | Very high | 196 Ų | 196 | 126 Ų | 126 | 74% | 0.74 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -70 | 148 | 170.6 | 67.2 | -176.9 | -178.9 | 107.3 | -6.7 | 111.2 | P107 K111 | P107-R109 PolarHBondContact O-N 3.19Å; R109-K111 PolarHBondContact O-N 3.15Å |
| 110 | N | 91.3 | Very high | 93.7 | Very high | 145 Ų | 145 | 125.6 Ų | 125.6 | 78% | 0.775 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 120.9 | 170.9 | -69.4 | -21.1 | 0 | 0 | 0 | 108.6 | L112 | N110-L112 VanDerWaalsContact C-N 3.34Š|
| 111 | K | 92.2 | Very high | 93.8 | Very high | 171 Ų | 171 | 117.4 Ų | 117.4 | 74% | 0.743 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -86.1 | -7 | 178.9 | -62.4 | -174.7 | 178.7 | -173 | 0 | 113.4 | R109 | R109-K111 PolarHBondContact O-N 3.15Š|
| 112 | L | 94.2 | Very high | 94 | Very high | 76 Ų | 76 | 111.7 Ų | 111.7 | 40% | 0.398 | 51% | 0.511 | S | S | . | . | trans | -106.7 | 73.1 | 179.2 | -66.8 | 175.2 | 0 | 0 | 0 | 108.2 | N110 R116 R144 | N110-L112 VanDerWaalsContact C-N 3.34Å; L112-R116 HydrophobicContact CD2-CG 4.26Å; L112-R144 HydrophobicContact CD1-CB 3.98Å; L112-R144 HydrophobicContact CD2-CB 4.42Å | ||
| 113 | D | 94.2 | Very high | 94.3 | Very high | 73 Ų | 73 | 106.4 Ų | 106.4 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | trans | -84.8 | 173.7 | 171.1 | 55.8 | 6.5 | 0 | 0 | 0 | 110.9 | F115 R116 I117 | D113-F115 VanDerWaalsContact C-N 3.29Å; D113-F115 PolarHBondContact O-N 3.25Å; D113-R116 PolarHBondContact O-N 3.28Å; D113-R116 VanDerWaalsContact O-N 3.12Å; D113-R116 WeakPolarHBondContact OD1-CB 3.32Å; D113-R116 PolarHBondContact OD1-N 2.82Å; D113-I117 VanDerWaalsContact O-CG1 3.26Å; D113-I117 WeakPolarHBondContact O-CG1 3.36Å; D113-I117 PolarHBondContact O-N 3.24Å | ||
| 114 | A | 95.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 100 Ų | 100 | 6% | 0.058 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -57.2 | -42.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | R116 I117 I118 A153 L157 | A114-R116 PolarHBondContact O-N 2.94Å; A114-I117 PolarHBondContact O-N 2.97Å; A114-I118 PolarHBondContact O-N 2.81Å; A114-I118 VanDerWaalsContact O-N 3.09Å; A114-A153 HydrophobicContact CB-CB 3.95Å; A114-L157 HydrophobicContact CB-CD1 4.39Å; A114-L157 HydrophobicContact CB-CD2 3.96Å; A114-L157 HydrophobicContact CB-CG 3.99Å |
| 115 | F | 96 | Very high | 94.7 | Very high | 157 Ų | 157 | 101.5 Ų | 101.5 | 69% | 0.689 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.1 | -33.5 | 176.7 | -59.7 | -75.7 | 0 | 0 | 0 | 113.4 | D113 L157 | D113-F115 VanDerWaalsContact C-N 3.29Å; D113-F115 PolarHBondContact O-N 3.25Å; F115-L157 HydrophobicContact CD1-CD1 4.4Å; F115-L157 HydrophobicContact CD1-CD2 3.73Å; F115-L157 HydrophobicContact CD2-CD2 4.48Å; F115-L157 HydrophobicContact CE1-CD2 3.39Å; F115-L157 HydrophobicContact CE2-CD2 4.18Å; F115-L157 HydrophobicContact CG-CD2 4.27Å; F115-L157 HydrophobicContact CZ-CD2 3.63Å |
| 116 | R | 96.1 | Very high | 95 | Very high | 133 Ų | 133 | 97.1 Ų | 97.1 | 50% | 0.502 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.4 | -33.6 | 174.2 | -174.5 | 60.5 | 172.2 | 153.2 | 0.9 | 112.2 | L112 D113 A114 D142 | L112-R116 HydrophobicContact CD2-CG 4.26Å; D113-R116 PolarHBondContact O-N 3.28Å; D113-R116 VanDerWaalsContact O-N 3.12Å; D113-R116 WeakPolarHBondContact OD1-CB 3.32Å; D113-R116 PolarHBondContact OD1-N 2.82Å; A114-R116 PolarHBondContact O-N 2.94Å; R116-D142 IonicContact CZ-OD2 3.96Å; R116-D142 IonicContact NE-OD2 3.82Å; R116-D142 IonicContact NH2-OD2 3.99Å |
| 117 | I | 97.5 | Very high | 95.2 | Very high | 14 Ų | 14 | 90.8 Ų | 90.8 | 7% | 0.072 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65.6 | -50.2 | -179.7 | -71.5 | 163.9 | 0 | 0 | 0 | 110.3 | D113 A114 V141 D142 A145 A149 I150 A153 | D113-I117 VanDerWaalsContact O-CG1 3.26Å; D113-I117 WeakPolarHBondContact O-CG1 3.36Å; D113-I117 PolarHBondContact O-N 3.24Å; A114-I117 PolarHBondContact O-N 2.97Å; I117-V141 CarbonylContact O-C 3.57Å; I117-V141 WeakPolarHBondContact O-CA 3.35Å; I117-V141 VanDerWaalsContact O-CB 3.27Å; I117-V141 WeakPolarHBondContact O-CB 3.21Å; I117-V141 WeakPolarHBondContact O-CG1 3.32Å; I117-D142 PolarHBondContact O-N 2.77Å; I117-A145 HydrophobicContact CG1-CB 4.32Å; I117-A145 HydrophobicContact CG2-CB 3.79Å; I117-A149 HydrophobicContact CD1-CB 4.15Å; I117-I150 HydrophobicContact CG2-CG1 3.99Å; I117-A153 HydrophobicContact CB-CB 4.1Å; I117-A153 HydrophobicContact CD1-CB 4.25Å; I117-A153 HydrophobicContact CG2-CB 3.91Å |
| 118 | I | 96.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 87.6 Ų | 87.6 | 4% | 0.041 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 110.8 | -179.7 | -60.7 | 169.8 | 0 | 0 | 0 | 108.4 | A114 F139 V141 A153 V154 L157 Y158 | A114-I118 PolarHBondContact O-N 2.81Å; A114-I118 VanDerWaalsContact O-N 3.09Å; I118-F139 HydrophobicContact CG2-CB 4.44Å; I118-F139 HydrophobicContact CG2-CD1 3.68Å; I118-F139 HydrophobicContact CG2-CE1 4.15Å; I118-F139 HydrophobicContact CG2-CG 4.12Å; I118-V141 HydrophobicContact CG1-CG1 4.4Å; I118-A153 HydrophobicContact CD1-CB 3.73Å; I118-A153 HydrophobicContact CG1-CB 4.08Å; I118-V154 HydrophobicContact CD1-CB 4.12Å; I118-V154 HydrophobicContact CD1-CG2 3.43Å; I118-V154 VanDerWaalsContact CD1-CG2 3.43Å; I118-V154 HydrophobicContact CG1-CG2 4.37Å; I118-L157 HydrophobicContact CB-CD1 4.21Å; I118-L157 HydrophobicContact CD1-CD1 3.97Å; I118-Y158 HydrophobicContact CD1-CE2 4.44Å |
| 119 | Q | 95.7 | Very high | 95.5 | Very high | 78 Ų | 78 | 85 Ų | 85 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -56.4 | -176.2 | -61.1 | -176.9 | 5.7 | 0 | 0 | 111.6 | I140 | Q119-I140 WeakPolarHBondContact CB-O 3.46Å; Q119-I140 PolarHBondContact N-O 2.87Å |
| 120 | H | 95.1 | Very high | 95.7 | Very high | 89 Ų | 89 | 79.6 Ų | 79.6 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 155.9 | 178.7 | 52 | -85.6 | 0 | 0 | 0 | 110.5 | I140 | H120-I140 VanDerWaalsContact NE2-CD1 3.29Å; H120-I140 WeakPolarHBondContact NE2-CD1 3.34Å; H120-I140 PolarHBondContact O-N 2.73Å |
| 121 | P | 96.6 | Very high | 95.9 | Very high | 33 Ų | 33 | 72.8 Ų | 72.8 | 21% | 0.214 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 157 | 171.2 | 28.6 | -33.2 | 0 | 0 | 0 | 112.1 | V138 F139 I194 I196 | P121-V138 CarbonylContact C-O 3.53Å; P121-V138 WeakPolarHBondContact CA-O 3.39Å; P121-F139 HydrophobicContact CB-CD1 4.13Å; P121-F139 HydrophobicContact CB-CE1 4.12Å; P121-I194 HydrophobicContact CG-CG2 4.44Å; P121-I196 HydrophobicContact CB-CD1 3.34Å; P121-I196 HydrophobicContact CB-CG1 3.77Å; P121-I196 HydrophobicContact CG-CD1 3.76Å; P121-I196 HydrophobicContact CG-CG1 3.64Å |
| 122 | V | 96.1 | Very high | 96.1 | Very high | 14 Ų | 14 | 70 Ų | 70 | 9% | 0.085 | 35% | 0.352 | C | S | . | . | trans | -96.4 | 119.4 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 109 | T124 A127 V138 I140 | V122-T124 HydrophobicContact CG1-CG2 3.94Å; V122-T124 WeakPolarHBondContact CG1-OG1 3.36Å; V122-A127 HydrophobicContact CB-CB 4.11Å; V122-A127 HydrophobicContact CG1-CB 3.79Å; V122-A127 VanDerWaalsContact O-CB 3.31Å; V122-A127 WeakPolarHBondContact O-CB 3.44Å; V122-V138 HydrophobicContact CB-CB 4.06Å; V122-V138 HydrophobicContact CB-CG1 3.83Å; V122-V138 HydrophobicContact CG1-CG1 4.46Å; V122-V138 HydrophobicContact CG2-CB 4.42Å; V122-V138 HydrophobicContact CG2-CG1 3.79Å; V122-V138 PolarHBondContact N-O 3.12Å; V122-I140 HydrophobicContact CG2-CD1 4.29Å; V122-I140 HydrophobicContact CG2-CG1 3.56Å | ||
| 123 | T | 95.9 | Very high | 96.2 | Very high | 95 Ų | 95 | 71 Ų | 71 | 58% | 0.583 | 36% | 0.357 | S | S | * | . | trans | -100.2 | 12.2 | -175 | 51.2 | 0 | 0 | 0 | 0 | 113.9 | I196 | T123-I196 HydrophobicContact CG2-CG2 3.93Š| ||
| 124 | T | 96.1 | Very high | 96.3 | Very high | 73 Ų | 73 | 70.4 Ų | 70.4 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -68.5 | 150.7 | 179.3 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | V122 A126 A127 M128 | V122-T124 HydrophobicContact CG1-CG2 3.94Å; V122-T124 WeakPolarHBondContact CG1-OG1 3.36Å; T124-A126 PolarHBondContact O-N 2.85Å; T124-A126 VanDerWaalsContact O-N 3.14Å; T124-A127 CarbonylContact O-C 3.59Å; T124-A127 VanDerWaalsContact O-CA 3.32Å; T124-A127 WeakPolarHBondContact O-CA 3.34Å; T124-A127 VanDerWaalsContact O-CB 3.3Å; T124-A127 WeakPolarHBondContact O-CB 3.24Å; T124-A127 PolarHBondContact O-N 2.78Å; T124-A127 WeakPolarHBondContact OG1-CB 3.17Å; T124-A127 PolarHBondContact OG1-N 2.82Å; T124-M128 PolarHBondContact O-N 3.3Å |
| 125 | E | 96.2 | Very high | 96.3 | Very high | 178 Ų | 178 | 72.8 Ų | 72.8 | 83% | 0.832 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -49 | -43.8 | 176.3 | -62.9 | 174.1 | -172.4 | 0 | 0 | 113.3 | A127 M128 K129 | E125-A127 PolarHBondContact O-N 2.93Å; E125-M128 PolarHBondContact O-N 3.49Å; E125-K129 PolarHBondContact O-N 3.36Å |
| 126 | A | 96.4 | Very high | 96.4 | Very high | 76 Ų | 76 | 66 Ų | 66 | 63% | 0.628 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65 | -26 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T124 K130 | T124-A126 PolarHBondContact O-N 2.85Å; T124-A126 VanDerWaalsContact O-N 3.14Å; A126-K130 VanDerWaalsContact O-CG 3.32Å; A126-K130 WeakPolarHBondContact O-CG 2.95Å |
| 127 | A | 96.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 59.8 Ų | 59.8 | 3% | 0.033 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -82.2 | -38.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V122 T124 E125 K129 K130 I131 V138 | V122-A127 HydrophobicContact CB-CB 4.11Å; V122-A127 HydrophobicContact CG1-CB 3.79Å; V122-A127 VanDerWaalsContact O-CB 3.31Å; V122-A127 WeakPolarHBondContact O-CB 3.44Å; T124-A127 CarbonylContact O-C 3.59Å; T124-A127 VanDerWaalsContact O-CA 3.32Å; T124-A127 WeakPolarHBondContact O-CA 3.34Å; T124-A127 VanDerWaalsContact O-CB 3.3Å; T124-A127 WeakPolarHBondContact O-CB 3.24Å; T124-A127 PolarHBondContact O-N 2.78Å; T124-A127 WeakPolarHBondContact OG1-CB 3.17Å; T124-A127 PolarHBondContact OG1-N 2.82Å; E125-A127 PolarHBondContact O-N 2.93Å; A127-K129 VanDerWaalsContact C-N 3.34Å; A127-K129 PolarHBondContact O-N 3.42Å; A127-K130 WeakPolarHBondContact O-CA 3.19Å; A127-K130 WeakPolarHBondContact O-CB 3.49Å; A127-K130 PolarHBondContact O-N 3.32Å; A127-I131 PolarHBondContact O-N 2.93Å; A127-I131 VanDerWaalsContact O-N 3.14Å; A127-V138 HydrophobicContact CB-CB 4.05Å; A127-V138 HydrophobicContact CB-CG1 4.5Å; A127-V138 HydrophobicContact CB-CG2 3.95Å |
| 128 | M | 96.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 59.3 Ų | 59.3 | 19% | 0.192 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.6 | -47 | 173.9 | -61.6 | -48.3 | -67.4 | 0 | 0 | 111.3 | T124 E125 K130 I131 E132 I196 I197 | T124-M128 PolarHBondContact O-N 3.3Å; E125-M128 PolarHBondContact O-N 3.49Å; M128-K130 PolarHBondContact O-N 3.12Å; M128-K130 VanDerWaalsContact O-N 3.11Å; M128-I131 HydrophobicContact CE-CD1 4.38Å; M128-I131 WeakPolarHBondContact O-CB 3.27Å; M128-I131 PolarHBondContact O-N 2.8Å; M128-I131 HydrophobicContact SD-CD1 4.08Å; M128-E132 PolarHBondContact O-N 2.85Å; M128-I196 HydrophobicContact SD-CG2 4.15Å; M128-I197 HydrophobicContact CE-CD1 4.1Å; M128-I197 HydrophobicContact CE-CG1 3.47Å; M128-I197 VanDerWaalsContact CE-CG1 3.47Å |
| 129 | K | 97 | Very high | 96.5 | Very high | 126 Ų | 126 | 59 Ų | 59 | 55% | 0.548 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.9 | -30.7 | 173.5 | -174 | 168.6 | -175.4 | 170.7 | 0 | 113.6 | E125 A127 D133 | E125-K129 PolarHBondContact O-N 3.36Å; A127-K129 VanDerWaalsContact C-N 3.34Å; A127-K129 PolarHBondContact O-N 3.42Å; K129-D133 WeakPolarHBondContact CE-OD2 3.36Å; K129-D133 WeakPolarHBondContact CG-OD2 3.13Å; K129-D133 WeakPolarHBondContact O-CB 3.29Å; K129-D133 PolarHBondContact O-N 2.97Å |
| 130 | K | 97.3 | Very high | 96.6 | Very high | 82 Ų | 82 | 56.7 Ų | 56.7 | 36% | 0.357 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76.9 | -25.5 | 177.5 | -74.9 | -60 | -178.5 | -156.7 | 0 | 113.5 | A126 A127 M128 N134 T136 V138 | A126-K130 VanDerWaalsContact O-CG 3.32Å; A126-K130 WeakPolarHBondContact O-CG 2.95Å; A127-K130 WeakPolarHBondContact O-CA 3.19Å; A127-K130 WeakPolarHBondContact O-CB 3.49Å; A127-K130 PolarHBondContact O-N 3.32Å; M128-K130 PolarHBondContact O-N 3.12Å; M128-K130 VanDerWaalsContact O-N 3.11Å; K130-N134 HydrophobicContact CD-CB 4.49Å; K130-N134 VanDerWaalsContact CD-OD1 3.27Å; K130-N134 WeakPolarHBondContact CD-OD1 3.4Å; K130-N134 PolarHBondContact NZ-OD1 3.34Å; K130-T136 CarbonylContact C-O 3.58Å; K130-T136 WeakPolarHBondContact CB-OG1 3.26Å; K130-T136 PolarHBondContact O-N 3.49Å; K130-T136 PolarHBondContact O-OG1 2.84Å; K130-V138 HydrophobicContact CB-CG2 4.31Å |
| 131 | I | 96.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.015 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.9 | -47.1 | 172 | -61.8 | 172.1 | 0 | 0 | 0 | 108.4 | A127 M128 D135 T136 L137 A187 L188 A191 | A127-I131 PolarHBondContact O-N 2.93Å; A127-I131 VanDerWaalsContact O-N 3.14Å; M128-I131 HydrophobicContact CE-CD1 4.38Å; M128-I131 WeakPolarHBondContact O-CB 3.27Å; M128-I131 PolarHBondContact O-N 2.8Å; M128-I131 HydrophobicContact SD-CD1 4.08Å; I131-D135 PolarHBondContact O-N 3.32Å; I131-T136 WeakPolarHBondContact CG1-O 3.43Å; I131-T136 PolarHBondContact N-O 2.94Å; I131-L137 HydrophobicContact CD1-CD2 4.46Å; I131-L137 HydrophobicContact CG1-CD2 4.34Å; I131-A187 HydrophobicContact CG2-CB 3.83Å; I131-L188 HydrophobicContact CG2-CD2 3.75Å; I131-L188 HydrophobicContact CG2-CG 4.16Å; I131-A191 HydrophobicContact CD1-CB 4.28Å; I131-A191 HydrophobicContact CG2-CB 4.21Å |
| 132 | E | 95.7 | Very high | 96.7 | Very high | 113 Ų | 113 | 51.7 Ų | 51.7 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.8 | -54.1 | -178.5 | -66.3 | 165.8 | -160.3 | 0 | 0 | 113.8 | M128 L188 | M128-E132 PolarHBondContact O-N 2.85Å; E132-L188 HydrophobicContact CG-CD2 3.86Å |
| 133 | D | 96.5 | Very high | 96.7 | Very high | 95 Ų | 95 | 57.5 Ų | 57.5 | 51% | 0.508 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -82.6 | -23.8 | -168.3 | -69.9 | -23.7 | 0 | 0 | 0 | 114 | K129 | K129-D133 WeakPolarHBondContact CE-OD2 3.36Å; K129-D133 WeakPolarHBondContact CG-OD2 3.13Å; K129-D133 WeakPolarHBondContact O-CB 3.29Å; K129-D133 PolarHBondContact O-N 2.97Å |
| 134 | N | 96.2 | Very high | 96.7 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -133.2 | 2.5 | -162.6 | -66.2 | 143.6 | 0 | 0 | 0 | 114.9 | K130 T136 | K130-N134 HydrophobicContact CD-CB 4.49Å; K130-N134 VanDerWaalsContact CD-OD1 3.27Å; K130-N134 WeakPolarHBondContact CD-OD1 3.4Å; K130-N134 PolarHBondContact NZ-OD1 3.34Å; N134-T136 HydrophobicContact CB-CG2 4.21Å; N134-T136 WeakPolarHBondContact O-CG2 3.2Å; N134-T136 PolarHBondContact O-N 2.85Å |
| 135 | D | 96.6 | Very high | 96.8 | Very high | 57 Ų | 57 | 59 Ų | 59 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | trans | 51.4 | 44 | -173.6 | -51.8 | -53.5 | 0 | 0 | 0 | 111.8 | I131 L181 A187 | I131-D135 PolarHBondContact O-N 3.32Å; D135-L181 PolarHBondContact O-N 3.5Å; D135-A187 HydrophobicContact CB-CB 4.29Å | ||
| 136 | T | 97.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 56 Ų | 56 | 9% | 0.092 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.6 | -176.6 | 50.1 | 0 | 0 | 0 | 0 | 112.9 | K130 I131 N134 V179 K180 | K130-T136 CarbonylContact C-O 3.58Å; K130-T136 WeakPolarHBondContact CB-OG1 3.26Å; K130-T136 PolarHBondContact O-N 3.49Å; K130-T136 PolarHBondContact O-OG1 2.84Å; I131-T136 WeakPolarHBondContact CG1-O 3.43Å; I131-T136 PolarHBondContact N-O 2.94Å; N134-T136 HydrophobicContact CB-CG2 4.21Å; N134-T136 WeakPolarHBondContact O-CG2 3.2Å; N134-T136 PolarHBondContact O-N 2.85Å; T136-V179 CarbonylContact C-O 3.56Å; T136-V179 VanDerWaalsContact CA-O 3.31Å; T136-V179 WeakPolarHBondContact CA-O 3.41Å; T136-K180 HydrophobicContact CG2-CB 3.73Å; T136-K180 HydrophobicContact CG2-CG 3.97Å |
| 137 | L | 96.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 139.4 | 169.7 | -61.4 | 171.4 | 0 | 0 | 0 | 110.1 | I131 F139 I160 V179 L181 A187 V190 A191 | I131-L137 HydrophobicContact CD1-CD2 4.46Å; I131-L137 HydrophobicContact CG1-CD2 4.34Å; L137-F139 HydrophobicContact CB-CD2 4.35Å; L137-F139 HydrophobicContact CB-CE2 3.62Å; L137-F139 HydrophobicContact CB-CZ 4.08Å; L137-F139 HydrophobicContact CD1-CE2 4.21Å; L137-F139 HydrophobicContact CD1-CZ 4.19Å; L137-I160 HydrophobicContact CD1-CD1 4.25Å; L137-V179 HydrophobicContact CB-CB 4.5Å; L137-V179 PolarHBondContact N-O 3.02Å; L137-V179 PolarHBondContact O-N 3.45Å; L137-L181 HydrophobicContact CD1-CD1 4.21Å; L137-L181 HydrophobicContact CD1-CD2 4.31Å; L137-L181 HydrophobicContact CG-CD1 4.44Å; L137-A187 HydrophobicContact CD2-CB 4.32Å; L137-V190 HydrophobicContact CD1-CB 4.45Å; L137-V190 HydrophobicContact CD1-CG1 3.61Å; L137-V190 HydrophobicContact CD2-CG1 4.43Å; L137-A191 HydrophobicContact CD2-CB 4.38Å |
| 138 | V | 97.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.03 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.7 | -178.4 | -168.6 | 0 | 0 | 0 | 0 | 109.4 | P121 V122 A127 K130 K176 A177 Y178 | P121-V138 CarbonylContact C-O 3.53Å; P121-V138 WeakPolarHBondContact CA-O 3.39Å; V122-V138 HydrophobicContact CB-CB 4.06Å; V122-V138 HydrophobicContact CB-CG1 3.83Å; V122-V138 HydrophobicContact CG1-CG1 4.46Å; V122-V138 HydrophobicContact CG2-CB 4.42Å; V122-V138 HydrophobicContact CG2-CG1 3.79Å; V122-V138 PolarHBondContact N-O 3.12Å; A127-V138 HydrophobicContact CB-CB 4.05Å; A127-V138 HydrophobicContact CB-CG1 4.5Å; A127-V138 HydrophobicContact CB-CG2 3.95Å; K130-V138 HydrophobicContact CB-CG2 4.31Å; V138-K176 HydrophobicContact CG1-CD 3.82Å; V138-K176 HydrophobicContact CG1-CG 3.71Å; V138-A177 WeakPolarHBondContact CA-O 3.34Å; V138-Y178 HydrophobicContact CB-CD1 4.45Å; V138-Y178 HydrophobicContact CG1-CD1 4.07Å; V138-Y178 HydrophobicContact CG1-CE1 3.92Å; V138-Y178 HydrophobicContact CG2-CD1 3.64Å; V138-Y178 HydrophobicContact CG2-CE1 3.83Å |
| 139 | F | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 148.3 | 179.6 | -64.3 | -77.4 | 0 | 0 | 0 | 111.6 | I118 P121 L137 V141 V154 Y158 K176 A177 V179 I194 | I118-F139 HydrophobicContact CG2-CB 4.44Å; I118-F139 HydrophobicContact CG2-CD1 3.68Å; I118-F139 HydrophobicContact CG2-CE1 4.15Å; I118-F139 HydrophobicContact CG2-CG 4.12Å; P121-F139 HydrophobicContact CB-CD1 4.13Å; P121-F139 HydrophobicContact CB-CE1 4.12Å; L137-F139 HydrophobicContact CB-CD2 4.35Å; L137-F139 HydrophobicContact CB-CE2 3.62Å; L137-F139 HydrophobicContact CB-CZ 4.08Å; L137-F139 HydrophobicContact CD1-CE2 4.21Å; L137-F139 HydrophobicContact CD1-CZ 4.19Å; F139-V141 HydrophobicContact CB-CG1 4.21Å; F139-V154 HydrophobicContact CD2-CG2 4.38Å; F139-V154 HydrophobicContact CE2-CG2 4.15Å; F139-Y158 AromaticContact CE1-CE2 3.78Å; F139-Y158 HydrophobicContact CE1-CE2 3.78Å; F139-Y158 HydrophobicContact CZ-CD2 4.25Å; F139-Y158 AromaticContact CZ-CE2 3.66Å; F139-Y158 HydrophobicContact CZ-CE2 3.66Å; F139-K176 CarbonylContact O-C 3.53Å; F139-K176 WeakPolarHBondContact O-CA 3.3Å; F139-A177 PolarHBondContact N-O 3.37Å; F139-A177 PolarHBondContact O-N 3.13Å; F139-V179 HydrophobicContact CD2-CG2 3.88Å; F139-V179 HydrophobicContact CE2-CG2 4.28Å; F139-I194 HydrophobicContact CZ-CD1 4.24Å |
| 140 | I | 97.2 | Very high | 97 | Very high | 30 Ų | 30 | 55.5 Ų | 55.5 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 127.7 | 157 | -55.2 | -152 | 0 | 0 | 0 | 107.9 | Q119 H120 V122 V174 | Q119-I140 WeakPolarHBondContact CB-O 3.46Å; Q119-I140 PolarHBondContact N-O 2.87Å; H120-I140 VanDerWaalsContact NE2-CD1 3.29Å; H120-I140 WeakPolarHBondContact NE2-CD1 3.34Å; H120-I140 PolarHBondContact O-N 2.73Å; V122-I140 HydrophobicContact CG2-CD1 4.29Å; V122-I140 HydrophobicContact CG2-CG1 3.56Å; I140-V174 HydrophobicContact CG2-CB 3.98Å; I140-V174 HydrophobicContact CG2-CG1 3.82Å |
| 141 | V | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 158.6 | -175 | -75.6 | 0 | 0 | 0 | 0 | 111.6 | I117 I118 F139 I150 K175 A177 | I117-V141 CarbonylContact O-C 3.57Å; I117-V141 WeakPolarHBondContact O-CA 3.35Å; I117-V141 VanDerWaalsContact O-CB 3.27Å; I117-V141 WeakPolarHBondContact O-CB 3.21Å; I117-V141 WeakPolarHBondContact O-CG1 3.32Å; I118-V141 HydrophobicContact CG1-CG1 4.4Å; F139-V141 HydrophobicContact CB-CG1 4.21Å; V141-I150 HydrophobicContact CB-CD1 4.41Å; V141-I150 HydrophobicContact CB-CG1 4.5Å; V141-I150 HydrophobicContact CG1-CD1 4.41Å; V141-I150 HydrophobicContact CG1-CG1 4.21Å; V141-I150 HydrophobicContact CG1-CG2 4.24Å; V141-I150 HydrophobicContact CG2-CD1 3.98Å; V141-K175 HydrophobicContact CG2-CB 3.92Å; V141-K175 HydrophobicContact CG2-CD 4.04Å; V141-K175 HydrophobicContact CG2-CG 3.76Å; V141-K175 WeakPolarHBondContact CG2-O 3.49Å; V141-K175 PolarHBondContact N-O 3.12Å; V141-A177 HydrophobicContact CG1-CB 4.09Å; V141-A177 HydrophobicContact CG2-CB 3.76Å |
| 142 | D | 97 | Very high | 97.1 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | trans | -61.2 | 137.9 | 174.2 | -168.7 | -72.2 | 0 | 0 | 0 | 111.2 | R116 I117 R144 A145 | R116-D142 IonicContact CZ-OD2 3.96Å; R116-D142 IonicContact NE-OD2 3.82Å; R116-D142 IonicContact NH2-OD2 3.99Å; I117-D142 PolarHBondContact O-N 2.77Å; D142-R144 PolarHBondContact O-N 3.45Å; D142-R144 VanDerWaalsContact O-N 3.13Å; D142-R144 VanDerWaalsContact OD1-CB 3.29Å; D142-R144 WeakPolarHBondContact OD1-CB 3.31Å; D142-R144 WeakPolarHBondContact OD1-CG 3.5Å; D142-R144 PolarHBondContact OD1-N 3.02Å; D142-A145 VanDerWaalsContact O-CB 3.32Å; D142-A145 WeakPolarHBondContact O-CB 3.27Å; D142-A145 PolarHBondContact O-N 3Å | ||
| 143 | R | 96.2 | Very high | 97.2 | Very high | 137 Ų | 137 | 52 Ų | 52 | 52% | 0.517 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -28 | -178.7 | -63.1 | 177.8 | 73.5 | 164.9 | -1.8 | 113.2 | A145 N173 K175 | R143-A145 VanDerWaalsContact C-N 3.32Å; R143-N173 WeakPolarHBondContact CD-O 3.18Å; R143-N173 PolarHBondContact NH1-OD1 2.97Å; R143-N173 VanDerWaalsContact NH1-OD1 3.12Å; R143-K175 WeakPolarHBondContact O-CE 3.4Å; R143-K175 PolarHBondContact O-NZ 2.93Å |
| 144 | R | 95.4 | Very high | 97.2 | Very high | 196 Ų | 196 | 47.5 Ų | 47.5 | 74% | 0.74 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -14.7 | -179.9 | -60.5 | 177.6 | 177 | -178.2 | 0.2 | 112.7 | L112 D142 | L112-R144 HydrophobicContact CD1-CB 3.98Å; L112-R144 HydrophobicContact CD2-CB 4.42Å; D142-R144 PolarHBondContact O-N 3.45Å; D142-R144 VanDerWaalsContact O-N 3.13Å; D142-R144 VanDerWaalsContact OD1-CB 3.29Å; D142-R144 WeakPolarHBondContact OD1-CB 3.31Å; D142-R144 WeakPolarHBondContact OD1-CG 3.5Å; D142-R144 PolarHBondContact OD1-N 3.02Å |
| 145 | A | 97.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | trans | -71.4 | 132.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I117 D142 R143 I150 K175 | I117-A145 HydrophobicContact CG1-CB 4.32Å; I117-A145 HydrophobicContact CG2-CB 3.79Å; D142-A145 VanDerWaalsContact O-CB 3.32Å; D142-A145 WeakPolarHBondContact O-CB 3.27Å; D142-A145 PolarHBondContact O-N 3Å; R143-A145 VanDerWaalsContact C-N 3.32Å; A145-I150 HydrophobicContact CB-CD1 4.22Å; A145-I150 HydrophobicContact CB-CG1 3.81Å; A145-K175 PolarHBondContact O-NZ 2.96Å | ||
| 146 | N | 96.8 | Very high | 97.2 | Very high | 113 Ų | 113 | 51.9 Ų | 51.9 | 60% | 0.604 | 26% | 0.256 | S | S | * | . | trans | -90.9 | 160.5 | 173.7 | -67 | -23.9 | 0 | 0 | 0 | 110.4 | A149 I150 | N146-A149 WeakPolarHBondContact O-CB 3.42Å; N146-A149 PolarHBondContact O-N 3.4Å; N146-I150 WeakPolarHBondContact O-CG1 3.43Å; N146-I150 PolarHBondContact O-N 3.46Å | ||
| 147 | K | 98.1 | Very high | 97.1 | Very high | 101 Ų | 101 | 53.2 Ų | 53.2 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -52.7 | -44 | 179.1 | -65.3 | 177.7 | 176.6 | -174 | 0 | 113.9 | A149 I150 K151 V165 T167 | K147-A149 VanDerWaalsContact C-N 3.33Å; K147-A149 PolarHBondContact O-N 3.45Å; K147-I150 PolarHBondContact O-N 2.98Å; K147-K151 WeakPolarHBondContact O-CB 2.93Å; K147-K151 PolarHBondContact O-N 2.92Å; K147-V165 HydrophobicContact CB-CB 4.45Å; K147-V165 WeakPolarHBondContact CD-O 3.26Å; K147-T167 WeakPolarHBondContact CE-OG1 3.3Å; K147-T167 HydrophobicContact CG-CG2 4.05Å |
| 148 | P | 97.6 | Very high | 97 | Very high | 99 Ų | 99 | 56.5 Ų | 56.5 | 64% | 0.643 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.7 | -33.7 | 176.4 | -21.9 | 34.9 | 0 | 0 | 0 | 113.5 | K151 A152 | P148-K151 PolarHBondContact O-N 2.97Å; P148-A152 WeakPolarHBondContact O-CB 3.31Å; P148-A152 PolarHBondContact O-N 3Å |
| 149 | A | 97 | Very high | 96.9 | Very high | 36 Ų | 36 | 62.7 Ų | 62.7 | 30% | 0.298 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.7 | -41.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I117 N146 K147 K151 A152 A153 | I117-A149 HydrophobicContact CD1-CB 4.15Å; N146-A149 WeakPolarHBondContact O-CB 3.42Å; N146-A149 PolarHBondContact O-N 3.4Å; K147-A149 VanDerWaalsContact C-N 3.33Å; K147-A149 PolarHBondContact O-N 3.45Å; A149-K151 VanDerWaalsContact C-N 3.33Å; A149-A152 PolarHBondContact O-N 3.46Å; A149-A153 WeakPolarHBondContact O-CB 3.32Å; A149-A153 PolarHBondContact O-N 3.24Å |
| 150 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 173.6 | -62.4 | 163.3 | 0 | 0 | 0 | 109.8 | I117 V141 A145 N146 K147 A152 A153 V154 V165 T167 A177 V179 | I117-I150 HydrophobicContact CG2-CG1 3.99Å; V141-I150 HydrophobicContact CB-CD1 4.41Å; V141-I150 HydrophobicContact CB-CG1 4.5Å; V141-I150 HydrophobicContact CG1-CD1 4.41Å; V141-I150 HydrophobicContact CG1-CG1 4.21Å; V141-I150 HydrophobicContact CG1-CG2 4.24Å; V141-I150 HydrophobicContact CG2-CD1 3.98Å; A145-I150 HydrophobicContact CB-CD1 4.22Å; A145-I150 HydrophobicContact CB-CG1 3.81Å; N146-I150 WeakPolarHBondContact O-CG1 3.43Å; N146-I150 PolarHBondContact O-N 3.46Å; K147-I150 PolarHBondContact O-N 2.98Å; I150-A152 PolarHBondContact O-N 2.86Å; I150-A153 PolarHBondContact O-N 3.28Å; I150-V154 HydrophobicContact CG2-CG2 4.35Å; I150-V154 WeakPolarHBondContact O-CG2 3.29Å; I150-V154 PolarHBondContact O-N 3.35Å; I150-V165 HydrophobicContact CB-CG1 4.26Å; I150-V165 HydrophobicContact CD1-CG1 4.45Å; I150-V165 HydrophobicContact CG2-CG1 3.95Å; I150-T167 HydrophobicContact CD1-CG2 3.62Å; I150-A177 HydrophobicContact CD1-CB 4.27Å; I150-A177 HydrophobicContact CG2-CB 4.14Å; I150-V179 HydrophobicContact CG2-CG2 4.39Å |
| 151 | K | 97.9 | Very high | 96.7 | Very high | 75 Ų | 75 | 67.4 Ų | 67.4 | 33% | 0.326 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -55.4 | -53.9 | 175.9 | -177.6 | 169.7 | -179.9 | 166 | 0 | 111.1 | K147 P148 A149 A153 V154 Q155 V162 V165 | K147-K151 WeakPolarHBondContact O-CB 2.93Å; K147-K151 PolarHBondContact O-N 2.92Å; P148-K151 PolarHBondContact O-N 2.97Å; A149-K151 VanDerWaalsContact C-N 3.33Å; K151-A153 VanDerWaalsContact C-N 3.35Å; K151-A153 PolarHBondContact O-N 3.36Å; K151-V154 PolarHBondContact O-N 3.16Å; K151-Q155 WeakPolarHBondContact O-CG 3.47Å; K151-Q155 PolarHBondContact O-N 3.28Å; K151-Q155 VanDerWaalsContact O-N 3.12Å; K151-V162 HydrophobicContact CD-CB 4.41Å; K151-V162 HydrophobicContact CD-CG1 4.37Å; K151-V162 WeakPolarHBondContact CE-O 3.17Å; K151-V162 HydrophobicContact CG-CB 3.94Å; K151-V162 HydrophobicContact CG-CG1 4.05Å; K151-V162 PolarHBondContact NZ-O 3.35Å; K151-V165 HydrophobicContact CB-CG2 4.05Å |
| 152 | A | 97.4 | Very high | 96.7 | Very high | 48 Ų | 48 | 67.8 Ų | 67.8 | 40% | 0.397 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P148 A149 I150 V154 Q155 E156 | P148-A152 WeakPolarHBondContact O-CB 3.31Å; P148-A152 PolarHBondContact O-N 3Å; A149-A152 PolarHBondContact O-N 3.46Å; I150-A152 PolarHBondContact O-N 2.86Å; A152-V154 PolarHBondContact O-N 3.16Å; A152-Q155 PolarHBondContact O-N 3.22Å; A152-E156 WeakPolarHBondContact O-CB 3.36Å; A152-E156 PolarHBondContact O-N 3.08Å |
| 153 | A | 97.5 | Very high | 96.7 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.017 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A114 I117 I118 A149 I150 K151 Q155 E156 L157 | A114-A153 HydrophobicContact CB-CB 3.95Å; I117-A153 HydrophobicContact CB-CB 4.1Å; I117-A153 HydrophobicContact CD1-CB 4.25Å; I117-A153 HydrophobicContact CG2-CB 3.91Å; I118-A153 HydrophobicContact CD1-CB 3.73Å; I118-A153 HydrophobicContact CG1-CB 4.08Å; A149-A153 WeakPolarHBondContact O-CB 3.32Å; A149-A153 PolarHBondContact O-N 3.24Å; I150-A153 PolarHBondContact O-N 3.28Å; K151-A153 VanDerWaalsContact C-N 3.35Å; K151-A153 PolarHBondContact O-N 3.36Å; A153-Q155 VanDerWaalsContact C-N 3.33Å; A153-E156 PolarHBondContact O-N 3.09Å; A153-L157 WeakPolarHBondContact O-CB 3.44Å; A153-L157 WeakPolarHBondContact O-CG 3.45Å; A153-L157 PolarHBondContact O-N 2.96Å |
| 154 | V | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | I118 F139 I150 K151 A152 E156 Y158 V162 V179 | I118-V154 HydrophobicContact CD1-CB 4.12Å; I118-V154 HydrophobicContact CD1-CG2 3.43Å; I118-V154 VanDerWaalsContact CD1-CG2 3.43Å; I118-V154 HydrophobicContact CG1-CG2 4.37Å; F139-V154 HydrophobicContact CD2-CG2 4.38Å; F139-V154 HydrophobicContact CE2-CG2 4.15Å; I150-V154 HydrophobicContact CG2-CG2 4.35Å; I150-V154 WeakPolarHBondContact O-CG2 3.29Å; I150-V154 PolarHBondContact O-N 3.35Å; K151-V154 PolarHBondContact O-N 3.16Å; A152-V154 PolarHBondContact O-N 3.16Å; V154-E156 VanDerWaalsContact C-N 3.34Å; V154-Y158 HydrophobicContact CG1-CD2 4.21Å; V154-Y158 PolarHBondContact O-N 3.33Å; V154-Y158 VanDerWaalsContact O-N 3.14Å; V154-V162 HydrophobicContact CB-CG2 4.09Å; V154-V162 HydrophobicContact CG1-CG2 3.8Å; V154-V179 HydrophobicContact CG1-CG1 4.25Å; V154-V179 HydrophobicContact CG2-CG1 4.37Å; V154-V179 HydrophobicContact CG2-CG2 4.23Å |
| 155 | Q | 97 | Very high | 96.9 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 178.3 | -66.2 | -177.3 | -66.7 | 0 | 0 | 111.5 | K151 A152 A153 N159 I160 V162 | K151-Q155 WeakPolarHBondContact O-CG 3.47Å; K151-Q155 PolarHBondContact O-N 3.28Å; K151-Q155 VanDerWaalsContact O-N 3.12Å; A152-Q155 PolarHBondContact O-N 3.22Å; A153-Q155 VanDerWaalsContact C-N 3.33Å; Q155-N159 VanDerWaalsContact O-CA 3.24Å; Q155-N159 WeakPolarHBondContact O-CA 3.43Å; Q155-N159 PolarHBondContact O-N 2.95Å; Q155-N159 VanDerWaalsContact O-N 3.09Å; Q155-I160 WeakPolarHBondContact CA-O 3.44Å; Q155-I160 VanDerWaalsContact CG-O 3.26Å; Q155-I160 WeakPolarHBondContact CG-O 3.45Å; Q155-V162 HydrophobicContact CG-CG2 4.06Å |
| 156 | E | 96.1 | Very high | 96.9 | Very high | 134 Ų | 134 | 63.6 Ų | 63.6 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.5 | -45.9 | -179.9 | -174.2 | 178 | -179.3 | 0 | 0 | 112.6 | A152 A153 V154 | A152-E156 WeakPolarHBondContact O-CB 3.36Å; A152-E156 PolarHBondContact O-N 3.08Å; A153-E156 PolarHBondContact O-N 3.09Å; V154-E156 VanDerWaalsContact C-N 3.34Å |
| 157 | L | 95.7 | Very high | 97 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.1 | -40.9 | -174.8 | -68.2 | -174.3 | 0 | 0 | 0 | 113.2 | A114 F115 I118 A153 | A114-L157 HydrophobicContact CB-CD1 4.39Å; A114-L157 HydrophobicContact CB-CD2 3.96Å; A114-L157 HydrophobicContact CB-CG 3.99Å; F115-L157 HydrophobicContact CD1-CD1 4.4Å; F115-L157 HydrophobicContact CD1-CD2 3.73Å; F115-L157 HydrophobicContact CD2-CD2 4.48Å; F115-L157 HydrophobicContact CE1-CD2 3.39Å; F115-L157 HydrophobicContact CE2-CD2 4.18Å; F115-L157 HydrophobicContact CG-CD2 4.27Å; F115-L157 HydrophobicContact CZ-CD2 3.63Å; I118-L157 HydrophobicContact CB-CD1 4.21Å; I118-L157 HydrophobicContact CD1-CD1 3.97Å; A153-L157 WeakPolarHBondContact O-CB 3.44Å; A153-L157 WeakPolarHBondContact O-CG 3.45Å; A153-L157 PolarHBondContact O-N 2.96Å |
| 158 | Y | 95.3 | Very high | 96.9 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 27% | 0.271 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -111.3 | -1.6 | -170.2 | -57.1 | -62.3 | 0 | 0 | 0 | 113.5 | I118 F139 V154 I160 I194 | I118-Y158 HydrophobicContact CD1-CE2 4.44Å; F139-Y158 AromaticContact CE1-CE2 3.78Å; F139-Y158 HydrophobicContact CE1-CE2 3.78Å; F139-Y158 HydrophobicContact CZ-CD2 4.25Å; F139-Y158 AromaticContact CZ-CE2 3.66Å; F139-Y158 HydrophobicContact CZ-CE2 3.66Å; V154-Y158 HydrophobicContact CG1-CD2 4.21Å; V154-Y158 PolarHBondContact O-N 3.33Å; V154-Y158 VanDerWaalsContact O-N 3.14Å; Y158-I160 VanDerWaalsContact C-N 3.3Å; Y158-I160 HydrophobicContact CG-CD1 4.28Å; Y158-I160 WeakPolarHBondContact O-CG1 3.5Å; Y158-I160 PolarHBondContact O-N 2.68Å; Y158-I194 HydrophobicContact CD1-CD1 3.92Å; Y158-I194 HydrophobicContact CD1-CG1 3.7Å; Y158-I194 HydrophobicContact CD2-CD1 4.29Å; Y158-I194 HydrophobicContact CE1-CB 4.48Å; Y158-I194 HydrophobicContact CE1-CD1 3.83Å; Y158-I194 HydrophobicContact CE1-CG1 3.62Å; Y158-I194 HydrophobicContact CE1-CG2 4.17Å; Y158-I194 HydrophobicContact CE2-CD1 4.2Å; Y158-I194 HydrophobicContact CG-CD1 4.15Å; Y158-I194 HydrophobicContact CG-CG1 4.38Å |
| 159 | N | 94.3 | Very high | 96.9 | Very high | 136 Ų | 136 | 59.4 Ų | 59.4 | 73% | 0.727 | 31% | 0.312 | S | S | * | . | trans | 58.5 | 35.6 | -178.8 | -58.2 | -63.5 | 0 | 0 | 0 | 114.2 | Q155 | Q155-N159 VanDerWaalsContact O-CA 3.24Å; Q155-N159 WeakPolarHBondContact O-CA 3.43Å; Q155-N159 PolarHBondContact O-N 2.95Å; Q155-N159 VanDerWaalsContact O-N 3.09Å | ||
| 160 | I | 95.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | trans | -110.3 | 151 | -177.1 | -49 | 151.9 | 0 | 0 | 0 | 109.9 | L137 Q155 Y158 L181 F185 V190 | L137-I160 HydrophobicContact CD1-CD1 4.25Å; Q155-I160 WeakPolarHBondContact CA-O 3.44Å; Q155-I160 VanDerWaalsContact CG-O 3.26Å; Q155-I160 WeakPolarHBondContact CG-O 3.45Å; Y158-I160 VanDerWaalsContact C-N 3.3Å; Y158-I160 HydrophobicContact CG-CD1 4.28Å; Y158-I160 WeakPolarHBondContact O-CG1 3.5Å; Y158-I160 PolarHBondContact O-N 2.68Å; I160-L181 HydrophobicContact CG2-CD1 4.13Å; I160-L181 HydrophobicContact CG2-CD2 3.65Å; I160-L181 HydrophobicContact CG2-CG 4.45Å; I160-F185 HydrophobicContact CG2-CB 4.16Å; I160-F185 HydrophobicContact CG2-CD1 3.78Å; I160-F185 HydrophobicContact CG2-CD2 4.41Å; I160-F185 HydrophobicContact CG2-CE1 4.23Å; I160-F185 HydrophobicContact CG2-CG 3.87Å; I160-V190 HydrophobicContact CD1-CB 4.25Å; I160-V190 HydrophobicContact CD1-CG1 3.3Å; I160-V190 HydrophobicContact CD1-CG2 3.9Å; I160-V190 HydrophobicContact CG1-CG1 4.23Å; I160-V190 HydrophobicContact CG1-CG2 4Å; I160-V190 HydrophobicContact CG2-CG2 4.5Å | ||
| 161 | K | 96.1 | Very high | 96.7 | Very high | 121 Ų | 121 | 64.7 Ų | 64.7 | 53% | 0.526 | 34% | 0.343 | S | S | . | . | trans | -83 | 141.7 | 167 | -65.6 | -177.1 | -169.1 | 165.6 | 0 | 110.7 | P182 F185 | K161-P182 HydrophobicContact CB-CG 3.8Å; K161-P182 WeakPolarHBondContact O-CD 3.1Å; K161-F185 HydrophobicContact CB-CD2 4.2Å; K161-F185 HydrophobicContact CB-CE2 3.73Å; K161-F185 HydrophobicContact CB-CZ 4.46Å; K161-F185 HydrophobicContact CD-CE2 3.91Å; K161-F185 HydrophobicContact CG-CE2 3.72Å; K161-F185 HydrophobicContact CG-CZ 4.18Å | ||
| 162 | V | 97.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | trans | -115.2 | 125.1 | 178.7 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | K151 V154 Q155 V165 V179 | K151-V162 HydrophobicContact CD-CB 4.41Å; K151-V162 HydrophobicContact CD-CG1 4.37Å; K151-V162 WeakPolarHBondContact CE-O 3.17Å; K151-V162 HydrophobicContact CG-CB 3.94Å; K151-V162 HydrophobicContact CG-CG1 4.05Å; K151-V162 PolarHBondContact NZ-O 3.35Å; V154-V162 HydrophobicContact CB-CG2 4.09Å; V154-V162 HydrophobicContact CG1-CG2 3.8Å; Q155-V162 HydrophobicContact CG-CG2 4.06Å; V162-V165 HydrophobicContact CG1-CG2 3.71Å; V162-V179 HydrophobicContact CB-CG1 4.3Å; V162-V179 HydrophobicContact CG1-CG1 3.61Å; V162-V179 HydrophobicContact CG2-CG1 3.72Å | ||
| 163 | A | 96.9 | Very high | 96.3 | Very high | 53 Ų | 53 | 70.3 Ų | 70.3 | 44% | 0.438 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -74.7 | -58.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | K180 P182 | A163-K180 WeakPolarHBondContact CB-O 3.48Å; A163-K180 PolarHBondContact N-O 3.27Å; A163-P182 HydrophobicContact CB-CB 4.49Å |
| 164 | K | 97.7 | Very high | 96.3 | Very high | 130 Ų | 130 | 72.2 Ų | 72.2 | 57% | 0.565 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 146.4 | -175.2 | -173 | 175.7 | -179.6 | 178.9 | 0 | 111.6 | N166 K180 | K164-N166 VanDerWaalsContact CE-OD1 3.3Å; K164-N166 WeakPolarHBondContact CE-OD1 3.39Å; K164-K180 HydrophobicContact CB-CB 4.42Å; K164-K180 PolarHBondContact N-O 2.91Å; K164-K180 PolarHBondContact O-N 2.99Å |
| 165 | V | 98.3 | Very high | 96.3 | Very high | 11 Ų | 11 | 73.3 Ų | 73.3 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.4 | 172.8 | -177 | 0 | 0 | 0 | 0 | 109.9 | K147 I150 K151 V162 T167 A177 Y178 V179 | K147-V165 HydrophobicContact CB-CB 4.45Å; K147-V165 WeakPolarHBondContact CD-O 3.26Å; I150-V165 HydrophobicContact CB-CG1 4.26Å; I150-V165 HydrophobicContact CD1-CG1 4.45Å; I150-V165 HydrophobicContact CG2-CG1 3.95Å; K151-V165 HydrophobicContact CB-CG2 4.05Å; V162-V165 HydrophobicContact CG1-CG2 3.71Å; V165-T167 HydrophobicContact CG1-CG2 4.06Å; V165-A177 HydrophobicContact CG1-CB 4.42Å; V165-Y178 WeakPolarHBondContact CA-O 3.48Å; V165-V179 HydrophobicContact CG1-CG2 4.47Å; V165-V179 HydrophobicContact CG2-CG1 4.46Å; V165-V179 HydrophobicContact CG2-CG2 4.45Å |
| 166 | N | 98 | Very high | 96.3 | Very high | 72 Ų | 72 | 72 Ų | 72 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 143.2 | 168.7 | -63.9 | -29.2 | 0 | 0 | 0 | 108.9 | K164 A177 Y178 | K164-N166 VanDerWaalsContact CE-OD1 3.3Å; K164-N166 WeakPolarHBondContact CE-OD1 3.39Å; N166-A177 CarbonylContact O-C 3.58Å; N166-A177 WeakPolarHBondContact O-CA 3.38Å; N166-Y178 PolarHBondContact N-O 3.3Å; N166-Y178 PolarHBondContact O-N 2.92Å |
| 167 | T | 98.1 | Very high | 96.5 | Very high | 48 Ų | 48 | 65.6 Ų | 65.6 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.4 | -176.4 | 54.8 | 0 | 0 | 0 | 0 | 109.9 | K147 I150 V165 K175 K176 A177 | K147-T167 WeakPolarHBondContact CE-OG1 3.3Å; K147-T167 HydrophobicContact CG-CG2 4.05Å; I150-T167 HydrophobicContact CD1-CG2 3.62Å; V165-T167 HydrophobicContact CG1-CG2 4.06Å; T167-K175 HydrophobicContact CG2-CD 4.33Å; T167-K176 CarbonylContact C-O 3.43Å; T167-K176 VanDerWaalsContact CA-O 3.29Å; T167-K176 WeakPolarHBondContact CA-O 3.36Å; T167-A177 HydrophobicContact CG2-CB 4.25Å |
| 168 | L | 96.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 67 Ų | 67 | 35% | 0.346 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 152.3 | 167 | 62.8 | 157 | 0 | 0 | 0 | 110.1 | K175 K176 Y178 | L168-K175 CarbonylContact O-C 3.58Å; L168-K175 WeakPolarHBondContact O-CA 3.43Å; L168-K175 WeakPolarHBondContact O-CG 3.26Å; L168-K176 HydrophobicContact CD2-CB 3.68Å; L168-K176 HydrophobicContact CD2-CD 4.11Å; L168-K176 HydrophobicContact CD2-CG 3.97Å; L168-K176 HydrophobicContact CG-CB 3.95Å; L168-K176 PolarHBondContact N-O 3.28Å; L168-K176 PolarHBondContact O-N 2.86Å; L168-Y178 HydrophobicContact CD2-CD2 3.75Å; L168-Y178 HydrophobicContact CD2-CE2 3.19Å |
| 169 | N | 96.9 | Very high | 96.7 | Very high | 112 Ų | 112 | 63.8 Ų | 63.8 | 60% | 0.599 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 120.4 | 166 | -64.3 | -28.1 | 0 | 0 | 0 | 107.5 | K175 | N169-K175 VanDerWaalsContact OD1-CE 3.31Å; N169-K175 WeakPolarHBondContact OD1-CE 3.36Å |
| 170 | C | 95 | Very high | 96.9 | Very high | 23 Ų | 23 | 62.3 Ų | 62.3 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | trans | -79.3 | 154.7 | 176.6 | -63.3 | 0 | 0 | 0 | 0 | 110.6 | N172 N173 V174 | C170-N172 PolarHBondContact O-N 2.96Å; C170-N172 VanDerWaalsContact O-N 3.15Å; C170-N173 PolarHBondContact O-N 3.38Å; C170-V174 HydrophobicContact CB-CG2 4.2Å; C170-V174 WeakPolarHBondContact CB-O 3.38Å; C170-V174 PolarHBondContact N-O 2.96Å | ||
| 171 | P | 96.5 | Very high | 97 | Very high | 123 Ų | 123 | 62 Ų | 62 | 80% | 0.799 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.4 | 175.2 | 24 | -34 | 0 | 0 | 0 | 112.6 | N173 | P171-N173 PolarHBondContact O-N 3.48Š|
| 172 | N | 93.4 | Very high | 97 | Very high | 135 Ų | 135 | 57.2 Ų | 57.2 | 72% | 0.722 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 17.5 | 177.9 | -59 | 6.6 | 0 | 0 | 0 | 113.8 | C170 V174 | C170-N172 PolarHBondContact O-N 2.96Å; C170-N172 VanDerWaalsContact O-N 3.15Å; N172-V174 HydrophobicContact CB-CG2 3.91Å; N172-V174 PolarHBondContact O-N 3.49Å |
| 173 | N | 93.6 | Very high | 96.9 | Very high | 106 Ų | 106 | 62.8 Ų | 62.8 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 58.3 | 27.3 | -178 | -73.5 | -55.4 | 0 | 0 | 0 | 115 | R143 C170 P171 | R143-N173 WeakPolarHBondContact CD-O 3.18Å; R143-N173 PolarHBondContact NH1-OD1 2.97Å; R143-N173 VanDerWaalsContact NH1-OD1 3.12Å; C170-N173 PolarHBondContact O-N 3.38Å; P171-N173 PolarHBondContact O-N 3.48Å |
| 174 | V | 96 | Very high | 96.8 | Very high | 43 Ų | 43 | 66.1 Ų | 66.1 | 26% | 0.261 | 35% | 0.353 | S | S | . | . | trans | -116.6 | 150.5 | 172.8 | -92.1 | 0 | 0 | 0 | 0 | 110.1 | I140 C170 N172 | I140-V174 HydrophobicContact CG2-CB 3.98Å; I140-V174 HydrophobicContact CG2-CG1 3.82Å; C170-V174 HydrophobicContact CB-CG2 4.2Å; C170-V174 WeakPolarHBondContact CB-O 3.38Å; C170-V174 PolarHBondContact N-O 2.96Å; N172-V174 HydrophobicContact CB-CG2 3.91Å; N172-V174 PolarHBondContact O-N 3.49Å | ||
| 175 | K | 98.1 | Very high | 96.6 | Very high | 22 Ų | 22 | 62.5 Ų | 62.5 | 10% | 0.096 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.4 | 173.6 | -176.6 | -179.2 | -66.7 | -177.7 | 0 | 108.1 | V141 R143 A145 T167 L168 N169 | V141-K175 HydrophobicContact CG2-CB 3.92Å; V141-K175 HydrophobicContact CG2-CD 4.04Å; V141-K175 HydrophobicContact CG2-CG 3.76Å; V141-K175 WeakPolarHBondContact CG2-O 3.49Å; V141-K175 PolarHBondContact N-O 3.12Å; R143-K175 WeakPolarHBondContact O-CE 3.4Å; R143-K175 PolarHBondContact O-NZ 2.93Å; A145-K175 PolarHBondContact O-NZ 2.96Å; T167-K175 HydrophobicContact CG2-CD 4.33Å; L168-K175 CarbonylContact O-C 3.58Å; L168-K175 WeakPolarHBondContact O-CA 3.43Å; L168-K175 WeakPolarHBondContact O-CG 3.26Å; N169-K175 VanDerWaalsContact OD1-CE 3.31Å; N169-K175 WeakPolarHBondContact OD1-CE 3.36Å |
| 176 | K | 97.9 | Very high | 96.4 | Very high | 48 Ų | 48 | 65.2 Ų | 65.2 | 21% | 0.209 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135.3 | 173.8 | -177.6 | -179.1 | -62.9 | -172.5 | 0 | 108.4 | V138 F139 T167 L168 Y178 | V138-K176 HydrophobicContact CG1-CD 3.82Å; V138-K176 HydrophobicContact CG1-CG 3.71Å; F139-K176 CarbonylContact O-C 3.53Å; F139-K176 WeakPolarHBondContact O-CA 3.3Å; T167-K176 CarbonylContact C-O 3.43Å; T167-K176 VanDerWaalsContact CA-O 3.29Å; T167-K176 WeakPolarHBondContact CA-O 3.36Å; L168-K176 HydrophobicContact CD2-CB 3.68Å; L168-K176 HydrophobicContact CD2-CD 4.11Å; L168-K176 HydrophobicContact CD2-CG 3.97Å; L168-K176 HydrophobicContact CG-CB 3.95Å; L168-K176 PolarHBondContact N-O 3.28Å; L168-K176 PolarHBondContact O-N 2.86Å; K176-Y178 HydrophobicContact CD-CE1 4.5Å; K176-Y178 HydrophobicContact CD-CE2 4.36Å |
| 177 | A | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | V138 F139 V141 I150 V165 N166 T167 V179 | V138-A177 WeakPolarHBondContact CA-O 3.34Å; F139-A177 PolarHBondContact N-O 3.37Å; F139-A177 PolarHBondContact O-N 3.13Å; V141-A177 HydrophobicContact CG1-CB 4.09Å; V141-A177 HydrophobicContact CG2-CB 3.76Å; I150-A177 HydrophobicContact CD1-CB 4.27Å; I150-A177 HydrophobicContact CG2-CB 4.14Å; V165-A177 HydrophobicContact CG1-CB 4.42Å; N166-A177 CarbonylContact O-C 3.58Å; N166-A177 WeakPolarHBondContact O-CA 3.38Å; T167-A177 HydrophobicContact CG2-CB 4.25Å; A177-V179 HydrophobicContact CB-CG2 4.38Å |
| 178 | Y | 98.3 | Very high | 96.2 | Very high | 75 Ų | 75 | 62.2 Ų | 62.2 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.9 | 167 | -61.7 | -81.3 | 0 | 0 | 0 | 108.1 | V138 V165 N166 L168 K176 | V138-Y178 HydrophobicContact CB-CD1 4.45Å; V138-Y178 HydrophobicContact CG1-CD1 4.07Å; V138-Y178 HydrophobicContact CG1-CE1 3.92Å; V138-Y178 HydrophobicContact CG2-CD1 3.64Å; V138-Y178 HydrophobicContact CG2-CE1 3.83Å; V165-Y178 WeakPolarHBondContact CA-O 3.48Å; N166-Y178 PolarHBondContact N-O 3.3Å; N166-Y178 PolarHBondContact O-N 2.92Å; L168-Y178 HydrophobicContact CD2-CD2 3.75Å; L168-Y178 HydrophobicContact CD2-CE2 3.19Å; K176-Y178 HydrophobicContact CD-CE1 4.5Å; K176-Y178 HydrophobicContact CD-CE2 4.36Å |
| 179 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 104.8 | -174.3 | -177.1 | 0 | 0 | 0 | 0 | 108 | T136 L137 F139 I150 V154 V162 V165 A177 | T136-V179 CarbonylContact C-O 3.56Å; T136-V179 VanDerWaalsContact CA-O 3.31Å; T136-V179 WeakPolarHBondContact CA-O 3.41Å; L137-V179 HydrophobicContact CB-CB 4.5Å; L137-V179 PolarHBondContact N-O 3.02Å; L137-V179 PolarHBondContact O-N 3.45Å; F139-V179 HydrophobicContact CD2-CG2 3.88Å; F139-V179 HydrophobicContact CE2-CG2 4.28Å; I150-V179 HydrophobicContact CG2-CG2 4.39Å; V154-V179 HydrophobicContact CG1-CG1 4.25Å; V154-V179 HydrophobicContact CG2-CG1 4.37Å; V154-V179 HydrophobicContact CG2-CG2 4.23Å; V162-V179 HydrophobicContact CB-CG1 4.3Å; V162-V179 HydrophobicContact CG1-CG1 3.61Å; V162-V179 HydrophobicContact CG2-CG1 3.72Å; V165-V179 HydrophobicContact CG1-CG2 4.47Å; V165-V179 HydrophobicContact CG2-CG1 4.46Å; V165-V179 HydrophobicContact CG2-CG2 4.45Å; A177-V179 HydrophobicContact CB-CG2 4.38Å |
| 180 | K | 97.7 | Very high | 96 | Very high | 106 Ų | 106 | 58.1 Ų | 58.1 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126.7 | 177.9 | -172.5 | 168.2 | -175 | 174.4 | 0 | 110.2 | T136 A163 K164 | T136-K180 HydrophobicContact CG2-CB 3.73Å; T136-K180 HydrophobicContact CG2-CG 3.97Å; A163-K180 WeakPolarHBondContact CB-O 3.48Å; A163-K180 PolarHBondContact N-O 3.27Å; K164-K180 HydrophobicContact CB-CB 4.42Å; K164-K180 PolarHBondContact N-O 2.91Å; K164-K180 PolarHBondContact O-N 2.99Å |
| 181 | L | 97.3 | Very high | 96 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 153.4 | 173.7 | -56.5 | -170.2 | 0 | 0 | 0 | 110.6 | D135 L137 I160 F185 A187 V190 | D135-L181 PolarHBondContact O-N 3.5Å; L137-L181 HydrophobicContact CD1-CD1 4.21Å; L137-L181 HydrophobicContact CD1-CD2 4.31Å; L137-L181 HydrophobicContact CG-CD1 4.44Å; I160-L181 HydrophobicContact CG2-CD1 4.13Å; I160-L181 HydrophobicContact CG2-CD2 3.65Å; I160-L181 HydrophobicContact CG2-CG 4.45Å; L181-F185 HydrophobicContact CB-CB 4.45Å; L181-F185 HydrophobicContact CD1-CB 4.27Å; L181-A187 HydrophobicContact CD1-CB 3.91Å; L181-V190 HydrophobicContact CD1-CG2 4.25Å |
| 182 | P | 97.2 | Very high | 96 | Very high | 20 Ų | 20 | 55 Ų | 55 | 13% | 0.13 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 159.5 | 166.9 | 33.1 | -33.7 | 0 | 0 | 0 | 109.9 | K161 A163 D184 F185 | K161-P182 HydrophobicContact CB-CG 3.8Å; K161-P182 WeakPolarHBondContact O-CD 3.1Å; A163-P182 HydrophobicContact CB-CB 4.49Å; P182-D184 PolarHBondContact O-N 3.46Å; P182-F185 HydrophobicContact CG-CD2 3.89Å; P182-F185 PolarHBondContact O-N 3.26Å |
| 183 | P | 95.1 | Very high | 96 | Very high | 124 Ų | 124 | 58 Ų | 58 | 81% | 0.805 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -15.2 | -176.4 | 27 | -36.7 | 0 | 0 | 0 | 114.2 | F185 | P183-F185 PolarHBondContact O-N 3.03Š|
| 184 | D | 94.4 | Very high | 96 | Very high | 123 Ų | 123 | 55 Ų | 55 | 66% | 0.658 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.3 | 175.6 | -49.1 | -25.7 | 0 | 0 | 0 | 113.1 | P182 | P182-D184 PolarHBondContact O-N 3.46Š|
| 185 | F | 94 | Very high | 95.8 | Very high | 53 Ų | 53 | 55.7 Ų | 55.7 | 23% | 0.232 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -125.1 | 126 | -177.8 | -70.1 | -95.7 | 0 | 0 | 0 | 110.1 | I160 K161 L181 P182 P183 | I160-F185 HydrophobicContact CG2-CB 4.16Å; I160-F185 HydrophobicContact CG2-CD1 3.78Å; I160-F185 HydrophobicContact CG2-CD2 4.41Å; I160-F185 HydrophobicContact CG2-CE1 4.23Å; I160-F185 HydrophobicContact CG2-CG 3.87Å; K161-F185 HydrophobicContact CB-CD2 4.2Å; K161-F185 HydrophobicContact CB-CE2 3.73Å; K161-F185 HydrophobicContact CB-CZ 4.46Å; K161-F185 HydrophobicContact CD-CE2 3.91Å; K161-F185 HydrophobicContact CG-CE2 3.72Å; K161-F185 HydrophobicContact CG-CZ 4.18Å; L181-F185 HydrophobicContact CB-CB 4.45Å; L181-F185 HydrophobicContact CD1-CB 4.27Å; P182-F185 HydrophobicContact CG-CD2 3.89Å; P182-F185 PolarHBondContact O-N 3.26Å; P183-F185 PolarHBondContact O-N 3.03Å |
| 186 | D | 94.7 | Very high | 95.5 | Very high | 68 Ų | 68 | 55.9 Ų | 55.9 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | trans | -80.4 | 130.1 | 170.8 | -174.1 | -3.5 | 0 | 0 | 0 | 110.5 | L188 D189 V190 | D186-L188 VanDerWaalsContact C-N 3.34Å; D186-L188 PolarHBondContact OD1-N 3.01Å; D186-D189 HydrophobicContact CB-CB 4.26Å; D186-V190 WeakPolarHBondContact O-CG2 3.4Å; D186-V190 PolarHBondContact O-N 3Å | ||
| 187 | A | 96 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.3 | -28.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I131 D135 L137 L181 A191 | I131-A187 HydrophobicContact CG2-CB 3.83Å; D135-A187 HydrophobicContact CB-CB 4.29Å; L137-A187 HydrophobicContact CD2-CB 4.32Å; L181-A187 HydrophobicContact CD1-CB 3.91Å; A187-A191 VanDerWaalsContact O-CB 3.29Å; A187-A191 WeakPolarHBondContact O-CB 3.29Å; A187-A191 PolarHBondContact O-N 3.38Å |
| 188 | L | 95.3 | Very high | 94.7 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.6 | -48.9 | 177.2 | -71.9 | 170.5 | 0 | 0 | 0 | 111.2 | I131 E132 D186 V190 A191 N192 I197 | I131-L188 HydrophobicContact CG2-CD2 3.75Å; I131-L188 HydrophobicContact CG2-CG 4.16Å; E132-L188 HydrophobicContact CG-CD2 3.86Å; D186-L188 VanDerWaalsContact C-N 3.34Å; D186-L188 PolarHBondContact OD1-N 3.01Å; L188-V190 VanDerWaalsContact C-N 3.28Å; L188-V190 PolarHBondContact O-N 3.04Å; L188-A191 WeakPolarHBondContact O-CB 3.47Å; L188-A191 PolarHBondContact O-N 2.82Å; L188-A191 VanDerWaalsContact O-N 3.1Å; L188-N192 VanDerWaalsContact O-CG 3.31Å; L188-N192 PolarHBondContact O-N 3.12Å; L188-N192 PolarHBondContact O-ND2 2.85Å; L188-I197 HydrophobicContact CD2-CD1 3.94Å |
| 189 | D | 94.4 | Very high | 94.6 | Very high | 87 Ų | 87 | 61.6 Ų | 61.6 | 47% | 0.465 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.7 | -40.9 | 175.8 | -82.6 | -9.1 | 0 | 0 | 0 | 112.4 | D186 R193 | D186-D189 HydrophobicContact CB-CB 4.26Å; D189-R193 WeakPolarHBondContact O-CG 3.34Å; D189-R193 PolarHBondContact O-N 3.1Å; D189-R193 VanDerWaalsContact O-N 3.16Å |
| 190 | V | 94.7 | Very high | 94.4 | Very high | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.03 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.8 | -44 | 175.4 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | L137 I160 L181 D186 L188 N192 R193 I194 | L137-V190 HydrophobicContact CD1-CB 4.45Å; L137-V190 HydrophobicContact CD1-CG1 3.61Å; L137-V190 HydrophobicContact CD2-CG1 4.43Å; I160-V190 HydrophobicContact CD1-CB 4.25Å; I160-V190 HydrophobicContact CD1-CG1 3.3Å; I160-V190 HydrophobicContact CD1-CG2 3.9Å; I160-V190 HydrophobicContact CG1-CG1 4.23Å; I160-V190 HydrophobicContact CG1-CG2 4Å; I160-V190 HydrophobicContact CG2-CG2 4.5Å; L181-V190 HydrophobicContact CD1-CG2 4.25Å; D186-V190 WeakPolarHBondContact O-CG2 3.4Å; D186-V190 PolarHBondContact O-N 3Å; L188-V190 VanDerWaalsContact C-N 3.28Å; L188-V190 PolarHBondContact O-N 3.04Å; V190-N192 VanDerWaalsContact C-N 3.26Å; V190-N192 PolarHBondContact O-N 3.28Å; V190-R193 WeakPolarHBondContact O-CB 3.26Å; V190-R193 PolarHBondContact O-N 2.7Å; V190-R193 VanDerWaalsContact O-N 3.09Å; V190-I194 HydrophobicContact CG1-CD1 3.75Å; V190-I194 HydrophobicContact CG1-CG1 4.28Å; V190-I194 WeakPolarHBondContact O-CG1 3.46Å; V190-I194 PolarHBondContact O-N 2.97Å |
| 191 | A | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I131 L137 A187 L188 I194 G195 I196 I197 | I131-A191 HydrophobicContact CD1-CB 4.28Å; I131-A191 HydrophobicContact CG2-CB 4.21Å; L137-A191 HydrophobicContact CD2-CB 4.38Å; A187-A191 VanDerWaalsContact O-CB 3.29Å; A187-A191 WeakPolarHBondContact O-CB 3.29Å; A187-A191 PolarHBondContact O-N 3.38Å; L188-A191 WeakPolarHBondContact O-CB 3.47Å; L188-A191 PolarHBondContact O-N 2.82Å; L188-A191 VanDerWaalsContact O-N 3.1Å; A191-I194 PolarHBondContact O-N 3.39Å; A191-G195 PolarHBondContact O-N 3.13Å; A191-I196 HydrophobicContact CB-CB 4.27Å; A191-I196 HydrophobicContact CB-CD1 4.32Å; A191-I196 PolarHBondContact O-N 3.2Å; A191-I197 HydrophobicContact CB-CD1 3.78Å; A191-I197 HydrophobicContact CB-CG1 4.26Å |
| 192 | N | 95.5 | Very high | 94 | Very high | 80 Ų | 80 | 66.4 Ų | 66.4 | 43% | 0.428 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 172.6 | -66.5 | -22.4 | 0 | 0 | 0 | 111.9 | L188 V190 I194 G195 I197 | L188-N192 VanDerWaalsContact O-CG 3.31Å; L188-N192 PolarHBondContact O-N 3.12Å; L188-N192 PolarHBondContact O-ND2 2.85Å; V190-N192 VanDerWaalsContact C-N 3.26Å; V190-N192 PolarHBondContact O-N 3.28Å; N192-I194 VanDerWaalsContact C-N 3.29Å; N192-I194 PolarHBondContact O-N 3.26Å; N192-G195 PolarHBondContact O-N 2.9Å; N192-I197 VanDerWaalsContact OD1-CB 3.29Å; N192-I197 WeakPolarHBondContact OD1-CB 3.23Å; N192-I197 WeakPolarHBondContact OD1-CD1 3.46Å |
| 193 | R | 93.9 | Very high | 93.8 | Very high | 197 Ų | 197 | 69.5 Ų | 69.5 | 74% | 0.743 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.8 | -31.2 | 176.7 | -69.2 | 175.8 | -166.8 | 174.3 | 6.6 | 113.2 | D189 V190 | D189-R193 WeakPolarHBondContact O-CG 3.34Å; D189-R193 PolarHBondContact O-N 3.1Å; D189-R193 VanDerWaalsContact O-N 3.16Å; V190-R193 WeakPolarHBondContact O-CB 3.26Å; V190-R193 PolarHBondContact O-N 2.7Å; V190-R193 VanDerWaalsContact O-N 3.09Å |
| 194 | I | 93.7 | Very high | 93.7 | Very high | 44 Ų | 44 | 65.6 Ų | 65.6 | 23% | 0.226 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -77 | -29.4 | 175.9 | -62.2 | 172.2 | 0 | 0 | 0 | 110.7 | P121 F139 Y158 V190 A191 N192 I196 | P121-I194 HydrophobicContact CG-CG2 4.44Å; F139-I194 HydrophobicContact CZ-CD1 4.24Å; Y158-I194 HydrophobicContact CD1-CD1 3.92Å; Y158-I194 HydrophobicContact CD1-CG1 3.7Å; Y158-I194 HydrophobicContact CD2-CD1 4.29Å; Y158-I194 HydrophobicContact CE1-CB 4.48Å; Y158-I194 HydrophobicContact CE1-CD1 3.83Å; Y158-I194 HydrophobicContact CE1-CG1 3.62Å; Y158-I194 HydrophobicContact CE1-CG2 4.17Å; Y158-I194 HydrophobicContact CE2-CD1 4.2Å; Y158-I194 HydrophobicContact CG-CD1 4.15Å; Y158-I194 HydrophobicContact CG-CG1 4.38Å; V190-I194 HydrophobicContact CG1-CD1 3.75Å; V190-I194 HydrophobicContact CG1-CG1 4.28Å; V190-I194 WeakPolarHBondContact O-CG1 3.46Å; V190-I194 PolarHBondContact O-N 2.97Å; A191-I194 PolarHBondContact O-N 3.39Å; N192-I194 VanDerWaalsContact C-N 3.29Å; N192-I194 PolarHBondContact O-N 3.26Å; I194-I196 HydrophobicContact CB-CD1 4.07Å; I194-I196 HydrophobicContact CB-CG1 4.01Å; I194-I196 HydrophobicContact CD1-CD1 4.19Å; I194-I196 HydrophobicContact CG2-CD1 3.87Å; I194-I196 HydrophobicContact CG2-CG1 3.72Å |
| 195 | G | 92.7 | Very high | 93.6 | Very high | 58 Ų | 58 | 61.2 Ų | 61.2 | 60% | 0.598 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 40 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A191 N192 | A191-G195 PolarHBondContact O-N 3.13Å; N192-G195 PolarHBondContact O-N 2.9Å |
| 196 | I | 91.1 | Very high | 93.6 | Very high | 25 Ų | 25 | 61.9 Ų | 61.9 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | trans | -90.7 | -28.7 | 176.9 | -57.3 | 172.3 | 0 | 0 | 0 | 111.3 | P121 T123 M128 A191 I194 | P121-I196 HydrophobicContact CB-CD1 3.34Å; P121-I196 HydrophobicContact CB-CG1 3.77Å; P121-I196 HydrophobicContact CG-CD1 3.76Å; P121-I196 HydrophobicContact CG-CG1 3.64Å; T123-I196 HydrophobicContact CG2-CG2 3.93Å; M128-I196 HydrophobicContact SD-CG2 4.15Å; A191-I196 HydrophobicContact CB-CB 4.27Å; A191-I196 HydrophobicContact CB-CD1 4.32Å; A191-I196 PolarHBondContact O-N 3.2Å; I194-I196 HydrophobicContact CB-CD1 4.07Å; I194-I196 HydrophobicContact CB-CG1 4.01Å; I194-I196 HydrophobicContact CD1-CD1 4.19Å; I194-I196 HydrophobicContact CG2-CD1 3.87Å; I194-I196 HydrophobicContact CG2-CG1 3.72Å | ||
| 197 | I | 85.3 | Confident | 93.5 | Very high | 121 Ų | 121 | 61.4 Ų | 61.4 | 62% | 0.621 | 32% | 0.322 | S | S | * | . | trans | -109.2 | 0 | 177.6 | -61.5 | 167.5 | 0 | 0 | 0 | 106.8 | M128 L188 A191 N192 | M128-I197 HydrophobicContact CE-CD1 4.1Å; M128-I197 HydrophobicContact CE-CG1 3.47Å; M128-I197 VanDerWaalsContact CE-CG1 3.47Å; L188-I197 HydrophobicContact CD2-CD1 3.94Å; A191-I197 HydrophobicContact CB-CD1 3.78Å; A191-I197 HydrophobicContact CB-CG1 4.26Å; N192-I197 VanDerWaalsContact OD1-CB 3.29Å; N192-I197 WeakPolarHBondContact OD1-CB 3.23Å; N192-I197 WeakPolarHBondContact OD1-CD1 3.46Å |
Retrieved 197 of 197 residues in 309.7 ms
(Link to these results)