| 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 | V | 39.9 | Very low | 41.6 | Very low | 184 Ų | 184 | 158 Ų | 158 | 100% | 1.115 | 83% | 0.825 | S | S | * | * | 0 | 112.4 | 0 | -180 | 0 | 0 | 0 | 0 | 106.1 | |||||
| 2 | Q | 36.3 | Very low | 41.5 | Very low | 163 Ų | 163 | 161.8 Ų | 161.8 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | -97.5 | 117.8 | -172.2 | -170.9 | 152.3 | -28.6 | 0 | 0 | 105.2 | ||||
| 3 | E | 42.1 | Very low | 41.5 | Very low | 169 Ų | 169 | 159.2 Ų | 159.2 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -110.8 | 98.2 | 175.3 | -72.2 | -69 | 145.9 | 0 | 0 | 106.8 | ||||
| 4 | D | 39 | Very low | 41.6 | Very low | 134 Ų | 134 | 159.3 Ų | 159.3 | 72% | 0.717 | 81% | 0.807 | S | S | * | * | trans | -69.5 | 121.9 | 173.2 | -74.7 | -49.1 | 0 | 0 | 0 | 109.7 | ||||
| 5 | N | 43.1 | Very low | 41.9 | Very low | 158 Ų | 158 | 159.3 Ų | 159.3 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -101.9 | 109.4 | 172.4 | -170.3 | 14.1 | 0 | 0 | 0 | 108.8 | S7 | N5-S7 PolarHBondContact O-N 3.44Š| ||
| 6 | P | 51.1 | Low | 42.4 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | trans | -80.3 | 115.4 | -179 | 29.8 | -30.2 | 0 | 0 | 0 | 111 | M8 | P6-M8 PolarHBondContact O-N 3.33Š| ||
| 7 | S | 37.4 | Very low | 42.8 | Very low | 111 Ų | 111 | 153.4 Ų | 153.4 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -55.8 | 116.6 | 166.7 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | N5 E9 | N5-S7 PolarHBondContact O-N 3.44Å; S7-E9 VanDerWaalsContact C-N 3.35Å; S7-E9 PolarHBondContact O-N 3.32Å; S7-E9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | M | 43.2 | Very low | 43.4 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | -77.3 | 88.5 | 165.9 | -88.5 | -149.5 | -151.2 | 0 | 0 | 109.3 | P6 V10 | P6-M8 PolarHBondContact O-N 3.33Å; M8-V10 PolarHBondContact O-N 2.81Å | ||
| 9 | E | 40.7 | Very low | 43.9 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -72.7 | 101.9 | 165.7 | -157.5 | 171.2 | -154.1 | 0 | 0 | 108.3 | S7 R11 | S7-E9 VanDerWaalsContact C-N 3.35Å; S7-E9 PolarHBondContact O-N 3.32Å; S7-E9 VanDerWaalsContact O-N 3.1Å; E9-R11 VanDerWaalsContact C-N 3.28Å; E9-R11 PolarHBondContact O-N 3.5Å | ||
| 10 | V | 42 | Very low | 44.5 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | -70 | 88.6 | 175.9 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | M8 Y12 | M8-V10 PolarHBondContact O-N 2.81Å; V10-Y12 PolarHBondContact O-N 3.2Å | ||
| 11 | R | 42.6 | Very low | 45 | Very low | 220 Ų | 220 | 146.4 Ų | 146.4 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | -59.8 | 106.3 | 172 | -116.2 | -179.6 | -176 | 141.9 | 1.9 | 109.3 | E9 N13 | E9-R11 VanDerWaalsContact C-N 3.28Å; E9-R11 PolarHBondContact O-N 3.5Å; R11-N13 PolarHBondContact O-N 3.1Å | ||
| 12 | Y | 40.2 | Very low | 45.4 | Very low | 204 Ų | 204 | 146 Ų | 146 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | trans | -60.6 | 121.4 | 170.2 | -171.7 | -100.2 | 0 | 0 | 0 | 109.6 | V10 Q14 | V10-Y12 PolarHBondContact O-N 3.2Å; Y12-Q14 PolarHBondContact O-N 2.87Å | ||
| 13 | N | 41.4 | Very low | 45.8 | Very low | 128 Ų | 128 | 144.6 Ų | 144.6 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | trans | -71.5 | 93.1 | -178 | -79 | -60.1 | 0 | 0 | 0 | 111 | R11 E15 T16 | R11-N13 PolarHBondContact O-N 3.1Å; N13-E15 PolarHBondContact O-N 3.02Å; N13-T16 PolarHBondContact O-OG1 3.47Å | ||
| 14 | Q | 44.1 | Very low | 46.1 | Very low | 160 Ų | 160 | 146.9 Ų | 146.9 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -9.8 | 173.6 | -164.8 | 130.2 | 30.4 | 0 | 0 | 113 | Y12 | Y12-Q14 PolarHBondContact O-N 2.87Š|
| 15 | E | 45.3 | Very low | 46.4 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -17.7 | -169.8 | -147.5 | 134 | 161.5 | 0 | 0 | 114.1 | N13 | N13-E15 PolarHBondContact O-N 3.02Š|
| 16 | T | 49.8 | Very low | 46.3 | Very low | 88 Ų | 88 | 149.2 Ų | 149.2 | 54% | 0.54 | 74% | 0.737 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -27.3 | -179.5 | 49 | 0 | 0 | 0 | 0 | 113.3 | N13 | N13-T16 PolarHBondContact O-OG1 3.47Š|
| 17 | E | 50.3 | Low | 45.8 | Very low | 131 Ų | 131 | 152.9 Ų | 152.9 | 61% | 0.612 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -74.8 | -31.6 | 179.9 | -75 | -71 | 119.8 | 0 | 0 | 112.5 | M19 | E17-M19 VanDerWaalsContact C-N 3.29Å; E17-M19 PolarHBondContact O-N 3.12Å |
| 18 | A | 53.4 | Low | 46.1 | Very low | 66 Ų | 66 | 152 Ų | 152 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | H | α-helix | trans | -71.3 | -23.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 19 | M | 52.1 | Low | 46 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -86.5 | -28.2 | -177.4 | -136.6 | -175 | -71.8 | 0 | 0 | 112.7 | E17 | E17-M19 VanDerWaalsContact C-N 3.29Å; E17-M19 PolarHBondContact O-N 3.12Å |
| 20 | L | 55.5 | Low | 45.8 | Very low | 127 Ų | 127 | 152 Ų | 152 | 67% | 0.665 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -78.9 | -26.8 | 178.7 | -79.6 | 167.9 | 0 | 0 | 0 | 113.3 | ||
| 21 | L | 56.2 | Low | 45.7 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -77.1 | -26.3 | 179.2 | -125.3 | 122.7 | 0 | 0 | 0 | 113.3 | ||
| 22 | K | 47.3 | Very low | 45.7 | Very low | 174 Ų | 174 | 150.4 Ų | 150.4 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -73.8 | -25.4 | 179.3 | -83.3 | 178.7 | 175.7 | 175.1 | 0 | 114.1 | ||
| 23 | N | 44.9 | Very low | 45.3 | Very low | 134 Ų | 134 | 148.2 Ų | 148.2 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -81.8 | -16.9 | 178.9 | -86.2 | -27.7 | 0 | 0 | 0 | 113.9 | ||
| 24 | R | 48.5 | Very low | 45.2 | Very low | 218 Ų | 218 | 148.1 Ų | 148.1 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -86.8 | -15.2 | -178 | -166.1 | 179.2 | -76.2 | -129.3 | 1.7 | 114.1 | ||
| 25 | L | 45.3 | Very low | 44.7 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -89.3 | -6.1 | -177.7 | -134.4 | 83.2 | 0 | 0 | 0 | 114.4 | ||
| 26 | K | 41.8 | Very low | 44.1 | Very low | 187 Ų | 187 | 146.1 Ų | 146.1 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -94.1 | -11.8 | -174.8 | -160.8 | 164.8 | 178.7 | 177.8 | 0 | 114.5 | ||
| 27 | E | 39.8 | Very low | 43.4 | Very low | 191 Ų | 191 | 148.2 Ų | 148.2 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -101.5 | 8.8 | -178.2 | -69.2 | -141.7 | 121.7 | 0 | 0 | 115 | ||
| 28 | A | 43 | Very low | 42.8 | Very low | 92 Ų | 92 | 150.5 Ų | 150.5 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -101.2 | 15.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 29 | K | 41.8 | Very low | 42 | Very low | 194 Ų | 194 | 151.8 Ų | 151.8 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -136.6 | 48.4 | -172.6 | -164.9 | 148.8 | 179.3 | 156.9 | 0 | 114.1 | ||
| 30 | D | 36.7 | Very low | 41.2 | Very low | 159 Ų | 159 | 155.1 Ų | 155.1 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -157.2 | 71.9 | 164.6 | -125.6 | -48.9 | 0 | 0 | 0 | 111 | ||
| 31 | S | 39.6 | Very low | 40.1 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -172.2 | 72.6 | 163.2 | -87.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 32 | K | 42 | Very low | 38.8 | Very low | 191 Ų | 191 | 155.8 Ų | 155.8 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | -151.2 | 92.7 | 161.6 | -167.4 | 170.2 | -171.8 | 172.4 | 0 | 106.7 | ||||
| 33 | D | 32.7 | Very low | 38.3 | Very low | 159 Ų | 159 | 154.2 Ų | 154.2 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | 179.9 | 105.6 | 150.9 | -84.1 | -28.4 | 0 | 0 | 0 | 109.7 | ||||
| 34 | S | 39.1 | Very low | 37.8 | Very low | 126 Ų | 126 | 155.6 Ų | 155.6 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | trans | -173.6 | 103.9 | 142.8 | 18.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 35 | Q | 33.7 | Very low | 37 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -63.2 | 144.2 | 166.6 | -71.4 | -174.1 | -95.5 | 0 | 0 | 111.2 | ||||
| 36 | G | 32.5 | Very low | 36.5 | Very low | 82 Ų | 82 | 154.5 Ų | 154.5 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -156.6 | 86.8 | 163 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 37 | N | 34.8 | Very low | 36.2 | Very low | 131 Ų | 131 | 153.6 Ų | 153.6 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | trans | -107.9 | 116 | -176.8 | -155.2 | -31.5 | 0 | 0 | 0 | 107.4 | ||||
| 38 | L | 37.6 | Very low | 35.7 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | trans | -141.5 | 119.4 | 162.2 | -78.7 | 178.9 | 0 | 0 | 0 | 109.7 | ||||
| 39 | S | 38 | Very low | 35.5 | Very low | 94 Ų | 94 | 152.1 Ų | 152.1 | 66% | 0.657 | 82% | 0.816 | S | S | * | * | trans | -80.2 | 156.8 | -171.8 | -49.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 40 | K | 35.5 | Very low | 35 | Very low | 213 Ų | 213 | 152 Ų | 152 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | 128.7 | 127.8 | 128.6 | -80.3 | 179.6 | 177.2 | 174.7 | 0 | 113.7 | |||||
| 41 | G | 32.3 | Very low | 35.3 | Very low | 74 Ų | 74 | 149.7 Ų | 149.7 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | 151.7 | 86.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 42 | F | 29 | Very low | 35.5 | Very low | 198 Ų | 198 | 149.9 Ų | 149.9 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | 78.8 | 93.3 | 126.7 | -150.4 | -98.9 | 0 | 0 | 0 | 120.8 | |||||
| 43 | L | 36.6 | Very low | 35.6 | Very low | 140 Ų | 140 | 147 Ų | 147 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | 27.4 | 132.6 | 130.1 | -132.2 | 95.1 | 0 | 0 | 0 | 121.8 | ||||
| 44 | K | 33.6 | Very low | 35.6 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 71% | 0.709 | 81% | 0.812 | S | S | * | * | trans | 102.6 | 87.6 | 137.8 | -151 | 80.9 | 177.9 | -178.1 | 0 | 117.1 | ||||
| 45 | E | 32.6 | Very low | 35.9 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -64.9 | 128.8 | 150.2 | -171.2 | 169.4 | 91.5 | 0 | 0 | 109.8 | ||||
| 46 | Q | 33.5 | Very low | 36.3 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | -141.4 | 121.3 | 157.6 | -159 | 164.6 | 4.8 | 0 | 0 | 108 | ||||
| 47 | Q | 35.7 | Very low | 36.9 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -59.5 | 132.8 | 177.8 | -69.1 | 163.2 | 9.6 | 0 | 0 | 110.3 | ||||
| 48 | D | 29.4 | Very low | 37 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -142.1 | 133 | 149.1 | -103.4 | -39.6 | 0 | 0 | 0 | 111 | F50 | D48-F50 HydrophobicContact CB-CE2 4.5Š| ||
| 49 | S | 39.7 | Very low | 37.5 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -80.6 | 120.5 | -173.2 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 50 | F | 30.8 | Very low | 37.6 | Very low | 191 Ų | 191 | 144.5 Ų | 144.5 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -143.5 | 118.4 | 160.9 | -72.3 | -73.8 | 0 | 0 | 0 | 111.4 | D48 | D48-F50 HydrophobicContact CB-CE2 4.5Š| ||
| 51 | S | 41.9 | Very low | 38 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -69 | 148 | 169.4 | -60.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 52 | P | 45.2 | Very low | 38.3 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -106.4 | 100.4 | 155.3 | 21.6 | -4 | 0 | 0 | 0 | 109.9 | ||||
| 53 | S | 42.8 | Very low | 39.2 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -78.5 | 127.9 | 150.4 | -89.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 54 | G | 34.4 | Very low | 39.4 | Very low | 78 Ų | 78 | 145.5 Ų | 145.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -166.6 | 70.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 55 | N | 44.1 | Very low | 40.1 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -84 | 116.3 | 165.2 | -167.1 | 37.8 | 0 | 0 | 0 | 107.8 | ||||
| 56 | M | 43.3 | Very low | 41.1 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -147.1 | 107.5 | 150.8 | -85.5 | -167.7 | 77.5 | 0 | 0 | 108.6 | N58 | M56-N58 PolarHBondContact O-N 3.28Š| ||
| 57 | D | 44.8 | Very low | 42.4 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -40 | 125 | 160.2 | -56.9 | -99 | 0 | 0 | 0 | 112 | ||||
| 58 | N | 37.1 | Very low | 43.3 | Very low | 123 Ų | 123 | 131 Ų | 131 | 66% | 0.658 | 77% | 0.765 | S | S | * | * | trans | -122.9 | 77.4 | 154.9 | -162.4 | 14.7 | 0 | 0 | 0 | 109.8 | M56 E60 | M56-N58 PolarHBondContact O-N 3.28Å; N58-E60 PolarHBondContact ND2-OE2 3.1Å; N58-E60 PolarHBondContact O-N 3.12Å; N58-E60 VanDerWaalsContact OD1-CG 3.3Å; N58-E60 WeakPolarHBondContact OD1-CG 3.38Å | ||
| 59 | C | 46.7 | Very low | 45.1 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 70% | 0.696 | 75% | 0.747 | S | S | * | * | trans | -80.4 | 76 | 161.7 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | K61 | C59-K61 VanDerWaalsContact C-N 3.26Å; C59-K61 PolarHBondContact O-N 3.27Å | ||
| 60 | E | 40.6 | Very low | 46.5 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | trans | -76.2 | 87.3 | 167.1 | -98.5 | 173.9 | 136.7 | 0 | 0 | 108.7 | N58 N62 | N58-E60 PolarHBondContact ND2-OE2 3.1Å; N58-E60 PolarHBondContact O-N 3.12Å; N58-E60 VanDerWaalsContact OD1-CG 3.3Å; N58-E60 WeakPolarHBondContact OD1-CG 3.38Å; E60-N62 VanDerWaalsContact C-N 3.32Å; E60-N62 PolarHBondContact O-N 3.02Å | ||
| 61 | K | 43.2 | Very low | 48.5 | Very low | 181 Ų | 181 | 127.1 Ų | 127.1 | 79% | 0.787 | 74% | 0.738 | S | S | * | * | trans | -49.4 | 99.3 | 158.5 | -79 | 167.7 | 177.2 | 167.2 | 0 | 108.1 | C59 R63 | C59-K61 VanDerWaalsContact C-N 3.26Å; C59-K61 PolarHBondContact O-N 3.27Å; K61-R63 PolarHBondContact O-N 3.47Å | ||
| 62 | N | 39 | Very low | 50.2 | Low | 157 Ų | 157 | 122.7 Ų | 122.7 | 84% | 0.84 | 71% | 0.707 | S | S | * | * | trans | -56.2 | 113.6 | 170.1 | -159.9 | -11.3 | 0 | 0 | 0 | 107.3 | E60 G64 | E60-N62 VanDerWaalsContact C-N 3.32Å; E60-N62 PolarHBondContact O-N 3.02Å; N62-G64 PolarHBondContact O-N 3.19Å | ||
| 63 | R | 48.4 | Very low | 51.9 | Low | 234 Ų | 234 | 121.1 Ų | 121.1 | 88% | 0.883 | 68% | 0.684 | S | S | * | * | trans | -56.2 | 111.6 | -178.8 | -66.2 | -170 | -160.6 | -151.4 | 6 | 107.7 | K61 N65 | K61-R63 PolarHBondContact O-N 3.47Å; R63-N65 PolarHBondContact O-N 3.09Å | ||
| 64 | G | 41 | Very low | 53.8 | Low | 74 Ų | 74 | 120.3 Ų | 120.3 | 76% | 0.763 | 66% | 0.661 | S | S | * | * | trans | -56.4 | 113 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | N62 A66 | N62-G64 PolarHBondContact O-N 3.19Å; G64-A66 PolarHBondContact O-N 2.77Å | ||
| 65 | N | 47.5 | Very low | 56.3 | Low | 139 Ų | 139 | 119.6 Ų | 119.6 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | trans | -64.3 | 119.2 | 168.8 | -157.7 | 39.7 | 0 | 0 | 0 | 107 | R63 G67 | R63-N65 PolarHBondContact O-N 3.09Å; N65-G67 PolarHBondContact O-N 2.98Å | ||
| 66 | A | 54.3 | Low | 58.5 | Low | 110 Ų | 110 | 118.6 Ų | 118.6 | 91% | 0.909 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 51 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G64 | G64-A66 PolarHBondContact O-N 2.77Š|
| 67 | G | 60.5 | Low | 60.7 | Low | 69 Ų | 69 | 112.9 Ų | 112.9 | 71% | 0.711 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163.5 | 13.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | N65 | N65-G67 PolarHBondContact O-N 2.98Š|
| 68 | D | 54.8 | Low | 63 | Low | 59 Ų | 59 | 115.4 Ų | 115.4 | 32% | 0.316 | 61% | 0.607 | S | S | . | * | trans | -91.9 | 123.2 | -177.7 | -153.3 | 25.4 | 0 | 0 | 0 | 111 | D70 R74 | D68-D70 PolarHBondContact O-N 3.5Å; D68-R74 IonicContact OD1-CZ 3.81Å; D68-R74 IonicContact OD1-NE 2.93Å; D68-R74 IonicContact OD1-NH1 3.46Å; D68-R74 PolarHBondContact OD1-NH1 2.97Å; D68-R74 IonicContact OD1-NH2 3.61Å; D68-R74 PolarHBondContact OD1-NH2 3.11Å; D68-R74 IonicContact OD2-CZ 2.72Å; D68-R74 IonicContact OD2-NE 2.85Å; D68-R74 PolarHBondContact OD2-NE 3.23Å; D68-R74 IonicContact OD2-NH1 2.71Å; D68-R74 IonicContact OD2-NH2 2.89Å; D68-R74 PolarHBondContact OD2-NH2 2.78Å | ||
| 69 | P | 66.9 | Low | 65.3 | Low | 65 Ų | 65 | 111 Ų | 111 | 42% | 0.422 | 58% | 0.583 | S | S | . | * | trans | -56.8 | 123.8 | 175.8 | -22 | 31.7 | 0 | 0 | 0 | 111.2 | Y71 C72 | P69-Y71 HydrophobicContact CB-CD1 3.55Å; P69-Y71 HydrophobicContact CB-CE1 3.21Å; P69-Y71 HydrophobicContact CG-CE1 4.14Å; P69-Y71 PolarHBondContact O-N 3.21Å; P69-C72 PolarHBondContact O-N 3.4Å | ||
| 70 | D | 69.9 | Low | 67.1 | Low | 133 Ų | 133 | 111.7 Ų | 111.7 | 71% | 0.711 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 2.5 | -167.2 | -157.3 | 15 | 0 | 0 | 0 | 114.6 | D68 K91 | D68-D70 PolarHBondContact O-N 3.5Å; D70-K91 WeakPolarHBondContact O-CD 3.49Å; D70-K91 WeakPolarHBondContact O-CE 3.4Å; D70-K91 PolarHBondContact O-NZ 3.13Å; D70-K91 IonicContact OD1-NZ 3.23Å; D70-K91 PolarHBondContact OD1-NZ 3.17Å |
| 71 | Y | 71.8 | Confident | 69.2 | Low | 164 Ų | 164 | 111.6 Ų | 111.6 | 64% | 0.643 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -11.8 | -178.9 | 68.8 | -95.1 | 0 | 0 | 0 | 114.4 | P69 K91 | P69-Y71 HydrophobicContact CB-CD1 3.55Å; P69-Y71 HydrophobicContact CB-CE1 3.21Å; P69-Y71 HydrophobicContact CG-CE1 4.14Å; P69-Y71 PolarHBondContact O-N 3.21Å; Y71-K91 PolarHBondContact O-N 3.5Å |
| 72 | C | 77 | Confident | 71.2 | Confident | 18 Ų | 18 | 105.1 Ų | 105.1 | 12% | 0.122 | 58% | 0.578 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -124 | 135.5 | -176 | -85.6 | 0 | 0 | 0 | 0 | 114.1 | P69 I88 L89 K91 | P69-C72 PolarHBondContact O-N 3.4Å; C72-I88 HydrophobicContact CB-CG2 3.55Å; C72-I88 WeakPolarHBondContact SG-CG2 3.47Å; C72-L89 CarbonylContact C-O 3.59Å; C72-L89 WeakPolarHBondContact CA-O 3.43Å; C72-K91 VanDerWaalsContact C-CG 3.43Å; C72-K91 WeakPolarHBondContact O-CE 3.45Å |
| 73 | R | 82.1 | Confident | 73.6 | Confident | 97 Ų | 97 | 100 Ų | 100 | 37% | 0.366 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.1 | 123.9 | 168 | -177.2 | 178.6 | -68.3 | -156.9 | 1.2 | 108.1 | I75 L89 K91 D96 | R73-I75 HydrophobicContact CG-CG1 4.13Å; R73-L89 PolarHBondContact N-O 3.16Å; R73-L89 PolarHBondContact O-N 3.41Å; R73-K91 HydrophobicContact CB-CG 4.07Å; R73-D96 IonicContact CZ-OD1 2.72Å; R73-D96 IonicContact CZ-OD2 3.73Å; R73-D96 IonicContact NH1-OD1 3.56Å; R73-D96 PolarHBondContact NH1-OD1 2.96Å; R73-D96 IonicContact NH1-OD2 2.76Å; R73-D96 PolarHBondContact NH1-OD2 3.46Å; R73-D96 IonicContact NH2-OD1 3.58Å; R73-D96 IonicContact NH2-OD2 3.82Å; R73-D96 PolarHBondContact NH2-OD2 2.81Å |
| 74 | R | 82.6 | Confident | 75.5 | Confident | 113 Ų | 113 | 93.7 Ų | 93.7 | 43% | 0.426 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.2 | 174.8 | -55.9 | -174.4 | -50.6 | -144.3 | -20.5 | 108.9 | D68 E86 I88 | D68-R74 IonicContact OD1-CZ 3.81Å; D68-R74 IonicContact OD1-NE 2.93Å; D68-R74 IonicContact OD1-NH1 3.46Å; D68-R74 PolarHBondContact OD1-NH1 2.97Å; D68-R74 IonicContact OD1-NH2 3.61Å; D68-R74 PolarHBondContact OD1-NH2 3.11Å; D68-R74 IonicContact OD2-CZ 2.72Å; D68-R74 IonicContact OD2-NE 2.85Å; D68-R74 PolarHBondContact OD2-NE 3.23Å; D68-R74 IonicContact OD2-NH1 2.71Å; D68-R74 IonicContact OD2-NH2 2.89Å; D68-R74 PolarHBondContact OD2-NH2 2.78Å; R74-E86 HydrophobicContact CB-CG 4.38Å; R74-E86 WeakPolarHBondContact CB-OE1 3.42Å; R74-E86 WeakPolarHBondContact CD-OE1 3.49Å; R74-E86 IonicContact NE-OE1 2.96Å; R74-E86 PolarHBondContact NE-OE1 3.12Å; R74-I88 HydrophobicContact CG-CG1 4.36Å |
| 75 | I | 86.6 | Confident | 77.7 | Confident | 64 Ų | 64 | 96.9 Ų | 96.9 | 33% | 0.328 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 119.6 | 177.7 | -54.9 | -177.9 | 0 | 0 | 0 | 107.4 | R73 V77 I87 L89 L95 | R73-I75 HydrophobicContact CG-CG1 4.13Å; I75-V77 HydrophobicContact CG2-CG2 4.23Å; I75-I87 PolarHBondContact N-O 3.43Å; I75-I87 PolarHBondContact O-N 2.96Å; I75-L89 HydrophobicContact CD1-CD1 3.99Å; I75-L89 HydrophobicContact CG1-CD1 4.39Å; I75-L95 HydrophobicContact CD1-CD1 4.16Å |
| 76 | L | 90.1 | Very high | 79.6 | Confident | 119 Ų | 119 | 95.3 Ų | 95.3 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 114.9 | 175.5 | -60.7 | 179.7 | 0 | 0 | 0 | 109 | I84 R85 E86 | L76-I84 HydrophobicContact CB-CG2 3.82Å; L76-I84 HydrophobicContact CD1-CG2 4.43Å; L76-I84 HydrophobicContact CD2-CG2 4.17Å; L76-I84 HydrophobicContact CG-CG2 4.35Å; L76-R85 WeakPolarHBondContact CA-O 3.5Å; L76-E86 HydrophobicContact CD2-CB 3.95Å; L76-E86 HydrophobicContact CD2-CG 4.16Å |
| 77 | V | 90.3 | Very high | 81 | Confident | 60 Ų | 60 | 93.9 Ų | 93.9 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 124.3 | 176 | 178.8 | 0 | 0 | 0 | 0 | 109 | I75 R85 I87 | I75-V77 HydrophobicContact CG2-CG2 4.23Å; V77-R85 PolarHBondContact N-O 3.04Å; V77-R85 PolarHBondContact O-N 3.42Å; V77-I87 HydrophobicContact CB-CD1 4.15Å; V77-I87 HydrophobicContact CG2-CD1 3.42Å; V77-I87 VanDerWaalsContact CG2-CD1 3.42Å; V77-I87 HydrophobicContact CG2-CG1 4Å |
| 78 | R | 92.4 | Very high | 82 | Confident | 185 Ų | 185 | 95.2 Ų | 95.2 | 70% | 0.698 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.4 | 174.7 | -173 | -178 | -71.5 | 178 | -2 | 109.8 | S83 | R78-S83 CarbonylContact C-O 3.45Å; R78-S83 WeakPolarHBondContact CA-O 3.13Å |
| 79 | D | 85.9 | Confident | 83.2 | Confident | 30 Ų | 30 | 94.2 Ų | 94.2 | 16% | 0.16 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 164.9 | 174.6 | -62.3 | -38.1 | 0 | 0 | 0 | 112.2 | K81 G82 S83 R85 | D79-K81 HydrophobicContact CB-CG 3.86Å; D79-K81 PolarHBondContact O-N 3.39Å; D79-K81 VanDerWaalsContact O-N 3.13Å; D79-G82 PolarHBondContact O-N 3.33Å; D79-S83 PolarHBondContact N-O 2.94Å; D79-R85 VanDerWaalsContact CG-CZ 3.43Å; D79-R85 VanDerWaalsContact CG-NE 3.28Å; D79-R85 IonicContact OD1-CZ 2.75Å; D79-R85 VanDerWaalsContact OD1-CZ 3.23Å; D79-R85 IonicContact OD1-NE 2.89Å; D79-R85 PolarHBondContact OD1-NE 2.99Å; D79-R85 IonicContact OD1-NH2 3.78Å; D79-R85 PolarHBondContact OD1-NH2 3Å; D79-R85 IonicContact OD2-CZ 3.39Å; D79-R85 IonicContact OD2-NE 2.63Å; D79-R85 PolarHBondContact OD2-NE 3.42Å; D79-R85 IonicContact OD2-NH1 3.6Å; D79-R85 IonicContact OD2-NH2 3.11Å; D79-R85 PolarHBondContact OD2-NH2 3.37Å |
| 80 | A | 83.8 | Confident | 83.8 | Confident | 119 Ų | 119 | 94.4 Ų | 94.4 | 98% | 0.983 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | G82 | A80-G82 VanDerWaalsContact C-N 3.28Å; A80-G82 PolarHBondContact O-N 2.97Å |
| 81 | K | 85.8 | Confident | 83.6 | Confident | 154 Ų | 154 | 92.2 Ų | 92.2 | 67% | 0.67 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 5 | 174.4 | 60.3 | 173.4 | 179.1 | 174.3 | 0 | 114.1 | D79 S83 | D79-K81 HydrophobicContact CB-CG 3.86Å; D79-K81 PolarHBondContact O-N 3.39Å; D79-K81 VanDerWaalsContact O-N 3.13Å; K81-S83 VanDerWaalsContact C-N 3.26Å; K81-S83 VanDerWaalsContact CE-OG 3.29Å; K81-S83 WeakPolarHBondContact CE-OG 3.36Å; K81-S83 PolarHBondContact O-N 3.41Å |
| 82 | G | 85.8 | Confident | 83.3 | Confident | 45 Ų | 45 | 88 Ų | 88 | 46% | 0.464 | 47% | 0.467 | S | S | . | . | S | Bend | trans | 80 | -4.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D79 A80 | D79-G82 PolarHBondContact O-N 3.33Å; A80-G82 VanDerWaalsContact C-N 3.28Å; A80-G82 PolarHBondContact O-N 2.97Å |
| 83 | S | 88 | Confident | 82.9 | Confident | 50 Ų | 50 | 91.8 Ų | 91.8 | 35% | 0.35 | 49% | 0.486 | S | S | . | . | trans | -68.3 | 138.3 | 174.2 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | R78 D79 K81 | R78-S83 CarbonylContact C-O 3.45Å; R78-S83 WeakPolarHBondContact CA-O 3.13Å; D79-S83 PolarHBondContact N-O 2.94Å; K81-S83 VanDerWaalsContact C-N 3.26Å; K81-S83 VanDerWaalsContact CE-OG 3.29Å; K81-S83 WeakPolarHBondContact CE-OG 3.36Å; K81-S83 PolarHBondContact O-N 3.41Å | ||
| 84 | I | 89.2 | Confident | 82.1 | Confident | 100 Ų | 100 | 91.7 Ų | 91.7 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.2 | 176.9 | -57.3 | 173.2 | 0 | 0 | 0 | 108.2 | L76 | L76-I84 HydrophobicContact CB-CG2 3.82Å; L76-I84 HydrophobicContact CD1-CG2 4.43Å; L76-I84 HydrophobicContact CD2-CG2 4.17Å; L76-I84 HydrophobicContact CG-CG2 4.35Å |
| 85 | R | 86.6 | Confident | 81.5 | Confident | 142 Ų | 142 | 90.4 Ų | 90.4 | 54% | 0.536 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 138.8 | 173.2 | -69.1 | -167.3 | -102.1 | -138.2 | 3.8 | 110.2 | L76 V77 D79 | L76-R85 WeakPolarHBondContact CA-O 3.5Å; V77-R85 PolarHBondContact N-O 3.04Å; V77-R85 PolarHBondContact O-N 3.42Å; D79-R85 VanDerWaalsContact CG-CZ 3.43Å; D79-R85 VanDerWaalsContact CG-NE 3.28Å; D79-R85 IonicContact OD1-CZ 2.75Å; D79-R85 VanDerWaalsContact OD1-CZ 3.23Å; D79-R85 IonicContact OD1-NE 2.89Å; D79-R85 PolarHBondContact OD1-NE 2.99Å; D79-R85 IonicContact OD1-NH2 3.78Å; D79-R85 PolarHBondContact OD1-NH2 3Å; D79-R85 IonicContact OD2-CZ 3.39Å; D79-R85 IonicContact OD2-NE 2.63Å; D79-R85 PolarHBondContact OD2-NE 3.42Å; D79-R85 IonicContact OD2-NH1 3.6Å; D79-R85 IonicContact OD2-NH2 3.11Å; D79-R85 PolarHBondContact OD2-NH2 3.37Å |
| 86 | E | 86.9 | Confident | 80.5 | Confident | 105 Ų | 105 | 92.4 Ų | 92.4 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.8 | 175.9 | -177.9 | 169.2 | -129.8 | 0 | 0 | 110.5 | R74 L76 I88 | R74-E86 HydrophobicContact CB-CG 4.38Å; R74-E86 WeakPolarHBondContact CB-OE1 3.42Å; R74-E86 WeakPolarHBondContact CD-OE1 3.49Å; R74-E86 IonicContact NE-OE1 2.96Å; R74-E86 PolarHBondContact NE-OE1 3.12Å; L76-E86 HydrophobicContact CD2-CB 3.95Å; L76-E86 HydrophobicContact CD2-CG 4.16Å; E86-I88 HydrophobicContact CG-CG1 4.1Å |
| 87 | I | 85 | Confident | 79.6 | Confident | 80 Ų | 80 | 94.8 Ų | 94.8 | 41% | 0.41 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120 | 171.9 | -46.8 | -175.8 | 0 | 0 | 0 | 108 | I75 V77 L89 | I75-I87 PolarHBondContact N-O 3.43Å; I75-I87 PolarHBondContact O-N 2.96Å; V77-I87 HydrophobicContact CB-CD1 4.15Å; V77-I87 HydrophobicContact CG2-CD1 3.42Å; V77-I87 VanDerWaalsContact CG2-CD1 3.42Å; V77-I87 HydrophobicContact CG2-CG1 4Å; I87-L89 HydrophobicContact CB-CD1 4.1Å; I87-L89 HydrophobicContact CG2-CD1 3.44Å; I87-L89 VanDerWaalsContact CG2-CD1 3.44Å; I87-L89 HydrophobicContact CG2-CG 4.49Å |
| 88 | I | 81.2 | Confident | 78.7 | Confident | 98 Ų | 98 | 97.4 Ų | 97.4 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 112.6 | 179.7 | -53.9 | 179.8 | 0 | 0 | 0 | 108 | C72 R74 E86 | C72-I88 HydrophobicContact CB-CG2 3.55Å; C72-I88 WeakPolarHBondContact SG-CG2 3.47Å; R74-I88 HydrophobicContact CG-CG1 4.36Å; E86-I88 HydrophobicContact CG-CG1 4.1Å |
| 89 | L | 80.4 | Confident | 78 | Confident | 37 Ų | 37 | 97.9 Ų | 97.9 | 19% | 0.194 | 53% | 0.531 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 138.2 | 174.5 | -73 | 88.5 | 0 | 0 | 0 | 109.6 | C72 R73 I75 I87 K91 L93 L95 | C72-L89 CarbonylContact C-O 3.59Å; C72-L89 WeakPolarHBondContact CA-O 3.43Å; R73-L89 PolarHBondContact N-O 3.16Å; R73-L89 PolarHBondContact O-N 3.41Å; I75-L89 HydrophobicContact CD1-CD1 3.99Å; I75-L89 HydrophobicContact CG1-CD1 4.39Å; I87-L89 HydrophobicContact CB-CD1 4.1Å; I87-L89 HydrophobicContact CG2-CD1 3.44Å; I87-L89 VanDerWaalsContact CG2-CD1 3.44Å; I87-L89 HydrophobicContact CG2-CG 4.49Å; L89-K91 PolarHBondContact O-N 2.88Å; L89-L93 HydrophobicContact CD2-CD1 4.32Å; L89-L95 HydrophobicContact CB-CD1 4.49Å; L89-L95 HydrophobicContact CD2-CD1 3.75Å; L89-L95 HydrophobicContact CD2-CD2 4.28Å; L89-L95 HydrophobicContact CD2-CG 4.5Å |
| 90 | P | 77.8 | Confident | 77.4 | Confident | 70 Ų | 70 | 107.2 Ų | 107.2 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -56.1 | 131.1 | 167.8 | -20.2 | 29.9 | 0 | 0 | 0 | 110.1 | G92 L93 | P90-G92 PolarHBondContact O-N 3.46Å; P90-G92 VanDerWaalsContact O-N 3.11Å; P90-L93 HydrophobicContact CB-CG 4.38Å; P90-L93 HydrophobicContact CG-CD1 4.39Å; P90-L93 HydrophobicContact CG-CG 4.46Å; P90-L93 WeakPolarHBondContact O-CB 3.44Å; P90-L93 PolarHBondContact O-N 3.43Å |
| 91 | K | 66.3 | Low | 77.1 | Confident | 87 Ų | 87 | 107.7 Ų | 107.7 | 38% | 0.378 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.1 | -17 | -179.8 | -64.2 | -167.2 | -161.3 | 173.8 | 0 | 113.3 | D70 Y71 C72 R73 L89 L93 | D70-K91 WeakPolarHBondContact O-CD 3.49Å; D70-K91 WeakPolarHBondContact O-CE 3.4Å; D70-K91 PolarHBondContact O-NZ 3.13Å; D70-K91 IonicContact OD1-NZ 3.23Å; D70-K91 PolarHBondContact OD1-NZ 3.17Å; Y71-K91 PolarHBondContact O-N 3.5Å; C72-K91 VanDerWaalsContact C-CG 3.43Å; C72-K91 WeakPolarHBondContact O-CE 3.45Å; R73-K91 HydrophobicContact CB-CG 4.07Å; L89-K91 PolarHBondContact O-N 2.88Å; K91-L93 VanDerWaalsContact C-N 3.27Å |
| 92 | G | 66.1 | Low | 77 | Confident | 76 Ų | 76 | 111.6 Ų | 111.6 | 78% | 0.784 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -8.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P90 D94 | P90-G92 PolarHBondContact O-N 3.46Å; P90-G92 VanDerWaalsContact O-N 3.11Å; G92-D94 PolarHBondContact O-N 3.45Å |
| 93 | L | 69 | Low | 76.9 | Confident | 96 Ų | 96 | 113.5 Ų | 113.5 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -75.9 | 101.9 | 162.8 | -62 | -176.6 | 0 | 0 | 0 | 106.4 | L89 P90 K91 L95 | L89-L93 HydrophobicContact CD2-CD1 4.32Å; P90-L93 HydrophobicContact CB-CG 4.38Å; P90-L93 HydrophobicContact CG-CD1 4.39Å; P90-L93 HydrophobicContact CG-CG 4.46Å; P90-L93 WeakPolarHBondContact O-CB 3.44Å; P90-L93 PolarHBondContact O-N 3.43Å; K91-L93 VanDerWaalsContact C-N 3.27Å; L93-L95 WeakPolarHBondContact O-CG 3.39Å; L93-L95 PolarHBondContact O-N 2.87Å |
| 94 | D | 65.6 | Low | 77.1 | Confident | 96 Ų | 96 | 116.4 Ų | 116.4 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | trans | -67.4 | 69.1 | -176.6 | -163.9 | 7.9 | 0 | 0 | 0 | 110.7 | G92 D96 R97 | G92-D94 PolarHBondContact O-N 3.45Å; D94-D96 PolarHBondContact O-N 2.75Å; D94-R97 HydrophobicContact CB-CB 4.02Å; D94-R97 VanDerWaalsContact O-CB 3.28Å; D94-R97 WeakPolarHBondContact O-CB 3.3Å; D94-R97 PolarHBondContact O-N 3.18Å; D94-R97 WeakPolarHBondContact OD1-CA 3.43Å; D94-R97 PolarHBondContact OD1-N 3.42Å; D94-R97 WeakPolarHBondContact OD2-CB 3.33Å; D94-R97 WeakPolarHBondContact OD2-CD 3.41Å; D94-R97 WeakPolarHBondContact OD2-CG 3.48Å; D94-R97 IonicContact OD2-NE 2.95Å | ||
| 95 | L | 68.3 | Low | 77.4 | Confident | 86 Ų | 86 | 114.1 Ų | 114.1 | 45% | 0.45 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -24.3 | 175.4 | -62 | 173.8 | 0 | 0 | 0 | 111.2 | I75 L89 L93 R97 | I75-L95 HydrophobicContact CD1-CD1 4.16Å; L89-L95 HydrophobicContact CB-CD1 4.49Å; L89-L95 HydrophobicContact CD2-CD1 3.75Å; L89-L95 HydrophobicContact CD2-CD2 4.28Å; L89-L95 HydrophobicContact CD2-CG 4.5Å; L93-L95 WeakPolarHBondContact O-CG 3.39Å; L93-L95 PolarHBondContact O-N 2.87Å; L95-R97 VanDerWaalsContact C-N 3.32Å |
| 96 | D | 66.8 | Low | 78 | Confident | 105 Ų | 105 | 110.9 Ų | 110.9 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -3.2 | 175.9 | -63.5 | -16.5 | 0 | 0 | 0 | 111.7 | R73 D94 P98 | R73-D96 IonicContact CZ-OD1 2.72Å; R73-D96 IonicContact CZ-OD2 3.73Å; R73-D96 IonicContact NH1-OD1 3.56Å; R73-D96 PolarHBondContact NH1-OD1 2.96Å; R73-D96 IonicContact NH1-OD2 2.76Å; R73-D96 PolarHBondContact NH1-OD2 3.46Å; R73-D96 IonicContact NH2-OD1 3.58Å; R73-D96 IonicContact NH2-OD2 3.82Å; R73-D96 PolarHBondContact NH2-OD2 2.81Å; D94-D96 PolarHBondContact O-N 2.75Å; D96-P98 WeakPolarHBondContact O-CD 3.42Å; D96-P98 VanDerWaalsContact O-N 3.16Å |
| 97 | R | 70.6 | Confident | 78.5 | Confident | 170 Ų | 170 | 109.9 Ų | 109.9 | 64% | 0.642 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -55.9 | 125.8 | 170.9 | -151.8 | 167.4 | -161.6 | -108.5 | -3.8 | 107.6 | D94 L95 K99 | D94-R97 HydrophobicContact CB-CB 4.02Å; D94-R97 VanDerWaalsContact O-CB 3.28Å; D94-R97 WeakPolarHBondContact O-CB 3.3Å; D94-R97 PolarHBondContact O-N 3.18Å; D94-R97 WeakPolarHBondContact OD1-CA 3.43Å; D94-R97 PolarHBondContact OD1-N 3.42Å; D94-R97 WeakPolarHBondContact OD2-CB 3.33Å; D94-R97 WeakPolarHBondContact OD2-CD 3.41Å; D94-R97 WeakPolarHBondContact OD2-CG 3.48Å; D94-R97 IonicContact OD2-NE 2.95Å; L95-R97 VanDerWaalsContact C-N 3.32Å; R97-K99 PolarHBondContact O-N 3.27Å |
| 98 | P | 72 | Confident | 79.1 | Confident | 114 Ų | 114 | 112.9 Ų | 112.9 | 74% | 0.74 | 59% | 0.593 | S | S | * | * | trans | -51 | 114 | 172.3 | -27.1 | 34.6 | 0 | 0 | 0 | 109 | D96 R100 | D96-P98 WeakPolarHBondContact O-CD 3.42Å; D96-P98 VanDerWaalsContact O-N 3.16Å; P98-R100 PolarHBondContact O-N 2.77Å | ||
| 99 | K | 76.1 | Confident | 79.9 | Confident | 195 Ų | 195 | 109.9 Ų | 109.9 | 85% | 0.848 | 58% | 0.576 | S | S | * | * | trans | -57.4 | 111.9 | 174.8 | -84.7 | 162.3 | 180 | 167.6 | 0 | 106.1 | R97 T101 | R97-K99 PolarHBondContact O-N 3.27Å; K99-T101 PolarHBondContact O-N 3.29Å | ||
| 100 | R | 73.5 | Confident | 80.7 | Confident | 227 Ų | 227 | 111.6 Ų | 111.6 | 86% | 0.857 | 59% | 0.585 | S | S | * | * | trans | -53.3 | 119.1 | -179.3 | -164.5 | -177 | -163.6 | 179.9 | 5.7 | 107.7 | P98 R102 | P98-R100 PolarHBondContact O-N 2.77Å; R100-R102 PolarHBondContact O-N 2.88Å; R100-R102 VanDerWaalsContact O-N 3.12Å | ||
| 101 | T | 77.7 | Confident | 81.7 | Confident | 128 Ų | 128 | 115.8 Ų | 115.8 | 79% | 0.785 | 59% | 0.593 | S | S | * | * | trans | -52.4 | 122.6 | 179.5 | -54.4 | 0 | 0 | 0 | 0 | 108.9 | K99 T103 | K99-T101 PolarHBondContact O-N 3.29Å; T101-T103 PolarHBondContact O-N 3.47Å | ||
| 102 | R | 83.9 | Confident | 83.2 | Confident | 237 Ų | 237 | 116.7 Ų | 116.7 | 89% | 0.894 | 59% | 0.594 | S | S | * | * | trans | -75.8 | 115.3 | -178.2 | -159.4 | 176.9 | -177.2 | -144.8 | 1 | 107.7 | R100 | R100-R102 PolarHBondContact O-N 2.88Å; R100-R102 VanDerWaalsContact O-N 3.12Å | ||
| 103 | T | 83.6 | Confident | 84.7 | Confident | 85 Ų | 85 | 113.1 Ų | 113.1 | 52% | 0.521 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -74 | 126.6 | 173.5 | 43.1 | 0 | 0 | 0 | 0 | 110 | T101 | T101-T103 PolarHBondContact O-N 3.47Š|
| 104 | S | 92.1 | Very high | 86.1 | Confident | 111 Ų | 111 | 111 Ų | 111 | 78% | 0.776 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 142.5 | 165.2 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 105 | F | 96.6 | Very high | 87.7 | Confident | 51 Ų | 51 | 109.3 Ų | 109.3 | 22% | 0.224 | 54% | 0.535 | C | S | . | . | P | Polyproline II helix | trans | -99.2 | 146.9 | 172.2 | -59.3 | -54.3 | 0 | 0 | 0 | 109.4 | Q109 L110 L137 Q141 W145 | F105-Q109 HydrophobicContact CB-CB 4.3Å; F105-L110 HydrophobicContact CB-CD2 3.85Å; F105-L110 HydrophobicContact CB-CG 3.93Å; F105-L110 HydrophobicContact CD2-CD2 4.07Å; F105-L110 HydrophobicContact CG-CD2 4.4Å; F105-L137 HydrophobicContact CD1-CD1 4.04Å; F105-L137 HydrophobicContact CD1-CD2 3.87Å; F105-L137 HydrophobicContact CE1-CD1 3.93Å; F105-L137 HydrophobicContact CE1-CD2 3.79Å; F105-Q141 HydrophobicContact CE1-CB 4.33Å; F105-Q141 HydrophobicContact CZ-CB 4.25Å; F105-W145 AromaticContact CD2-CD1 3.71Å; F105-W145 HydrophobicContact CE2-CB 4.4Å; F105-W145 AromaticContact CE2-CD1 3.55Å; F105-W145 HydrophobicContact CE2-CG 4.34Å |
| 106 | T | 97.8 | Very high | 89.1 | Confident | 75 Ų | 75 | 107.7 Ų | 107.7 | 46% | 0.46 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 160.9 | 174 | 71.1 | 0 | 0 | 0 | 0 | 110.7 | E108 Q109 L110 | T106-E108 VanDerWaalsContact C-N 3.27Å; T106-E108 PolarHBondContact O-N 2.88Å; T106-Q109 PolarHBondContact O-N 3.34Å; T106-Q109 VanDerWaalsContact OG1-CG 3.26Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.33Å; T106-Q109 PolarHBondContact OG1-N 2.93Å; T106-Q109 PolarHBondContact OG1-OE1 3.14Å; T106-L110 WeakPolarHBondContact O-CG 3.42Å; T106-L110 PolarHBondContact O-N 3.33Å |
| 107 | A | 97.3 | Very high | 90.6 | Very high | 83 Ų | 83 | 103 Ų | 103 | 69% | 0.686 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.4 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L110 Y111 | A107-L110 PolarHBondContact O-N 3.01Å; A107-Y111 WeakPolarHBondContact O-CB 3.32Å; A107-Y111 PolarHBondContact O-N 3.07Å |
| 108 | E | 97.7 | Very high | 91.9 | Very high | 144 Ų | 144 | 102.1 Ų | 102.1 | 67% | 0.673 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.8 | -43.9 | 176.8 | -174.5 | -178.7 | 176.9 | 0 | 0 | 112.1 | T106 L110 Y111 R112 | T106-E108 VanDerWaalsContact C-N 3.27Å; T106-E108 PolarHBondContact O-N 2.88Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-L110 PolarHBondContact O-N 3.38Å; E108-Y111 PolarHBondContact O-N 3.16Å; E108-R112 WeakPolarHBondContact O-CG 3.38Å; E108-R112 PolarHBondContact O-N 3.12Å |
| 109 | Q | 98 | Very high | 93.1 | Very high | 34 Ų | 34 | 106.2 Ų | 106.2 | 16% | 0.159 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 175.8 | -74.3 | 170.9 | -25.5 | 0 | 0 | 111.2 | F105 T106 Y111 R112 L113 L135 | F105-Q109 HydrophobicContact CB-CB 4.3Å; T106-Q109 PolarHBondContact O-N 3.34Å; T106-Q109 VanDerWaalsContact OG1-CG 3.26Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.33Å; T106-Q109 PolarHBondContact OG1-N 2.93Å; T106-Q109 PolarHBondContact OG1-OE1 3.14Å; Q109-Y111 VanDerWaalsContact C-N 3.35Å; Q109-Y111 PolarHBondContact O-N 3.24Å; Q109-R112 PolarHBondContact O-N 2.93Å; Q109-L113 WeakPolarHBondContact O-CB 3.21Å; Q109-L113 WeakPolarHBondContact O-CD1 3.44Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 3.49Å; Q109-L135 HydrophobicContact CG-CB 4.43Å; Q109-L135 PolarHBondContact NE2-O 3.34Å |
| 110 | L | 98.1 | Very high | 94 | Very high | 73 Ų | 73 | 99.1 Ų | 99.1 | 38% | 0.382 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 177.5 | -69 | 174.2 | 0 | 0 | 0 | 112 | F105 T106 A107 E108 L113 E114 | F105-L110 HydrophobicContact CB-CD2 3.85Å; F105-L110 HydrophobicContact CB-CG 3.93Å; F105-L110 HydrophobicContact CD2-CD2 4.07Å; F105-L110 HydrophobicContact CG-CD2 4.4Å; T106-L110 WeakPolarHBondContact O-CG 3.42Å; T106-L110 PolarHBondContact O-N 3.33Å; A107-L110 PolarHBondContact O-N 3.01Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-L110 PolarHBondContact O-N 3.38Å; L110-L113 PolarHBondContact O-N 3.03Å; L110-E114 WeakPolarHBondContact O-CB 3.32Å; L110-E114 PolarHBondContact O-N 3.34Å |
| 111 | Y | 98.1 | Very high | 95.2 | Very high | 159 Ų | 159 | 92.3 Ų | 92.3 | 62% | 0.624 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.7 | -49.6 | 177.5 | 173.2 | -101.8 | 0 | 0 | 0 | 111.7 | A107 E108 Q109 L113 E114 M115 | A107-Y111 WeakPolarHBondContact O-CB 3.32Å; A107-Y111 PolarHBondContact O-N 3.07Å; E108-Y111 PolarHBondContact O-N 3.16Å; Q109-Y111 VanDerWaalsContact C-N 3.35Å; Q109-Y111 PolarHBondContact O-N 3.24Å; Y111-L113 PolarHBondContact O-N 2.92Å; Y111-E114 PolarHBondContact O-N 3.11Å; Y111-M115 WeakPolarHBondContact O-CB 3.02Å; Y111-M115 PolarHBondContact O-N 3.42Å |
| 112 | R | 98.2 | Very high | 96.1 | Very high | 106 Ų | 106 | 92.6 Ų | 92.6 | 40% | 0.4 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 177.9 | -72.3 | -68.5 | -141.6 | 149.1 | 5.4 | 112.6 | E108 Q109 E114 M115 E116 L135 | E108-R112 WeakPolarHBondContact O-CG 3.38Å; E108-R112 PolarHBondContact O-N 3.12Å; Q109-R112 PolarHBondContact O-N 2.93Å; R112-E114 VanDerWaalsContact C-N 3.34Å; R112-M115 PolarHBondContact O-N 3.44Å; R112-E116 PolarHBondContact O-N 3.42Å; R112-L135 HydrophobicContact CB-CD1 4.29Å; R112-L135 HydrophobicContact CB-CD2 3.51Å; R112-L135 HydrophobicContact CB-CG 4.5Å; R112-L135 HydrophobicContact CG-CD2 3.81Å |
| 113 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 176 | -73.4 | 165.2 | 0 | 0 | 0 | 111.8 | Q109 L110 Y111 E116 F117 L131 L135 L137 V142 W145 F146 | Q109-L113 WeakPolarHBondContact O-CB 3.21Å; Q109-L113 WeakPolarHBondContact O-CD1 3.44Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 3.49Å; L110-L113 PolarHBondContact O-N 3.03Å; Y111-L113 PolarHBondContact O-N 2.92Å; L113-E116 PolarHBondContact O-N 3.09Å; L113-F117 WeakPolarHBondContact O-CB 3.48Å; L113-F117 PolarHBondContact O-N 3.2Å; L113-L131 HydrophobicContact CD2-CD2 4Å; L113-L131 HydrophobicContact CD2-CG 4.44Å; L113-L135 HydrophobicContact CD1-CD1 4.36Å; L113-L135 HydrophobicContact CD2-CD1 3.66Å; L113-L135 HydrophobicContact CG-CD1 3.6Å; L113-L137 HydrophobicContact CD1-CD1 4.23Å; L113-V142 HydrophobicContact CD2-CG1 4.4Å; L113-W145 HydrophobicContact CB-CD2 3.93Å; L113-W145 HydrophobicContact CB-CE3 3.88Å; L113-W145 HydrophobicContact CB-CH2 3.62Å; L113-W145 HydrophobicContact CB-CZ2 3.62Å; L113-W145 HydrophobicContact CB-CZ3 3.74Å; L113-W145 HydrophobicContact CD1-CD2 3.85Å; L113-W145 HydrophobicContact CD1-CE3 4.47Å; L113-W145 HydrophobicContact CD1-CG 3.85Å; L113-W145 HydrophobicContact CD2-CD2 4.32Å; L113-W145 HydrophobicContact CD2-CE3 4.17Å; L113-W145 HydrophobicContact CG-CD2 4.25Å; L113-W145 HydrophobicContact CG-CE3 4.4Å; L113-F146 HydrophobicContact CD2-CE2 3.92Å |
| 114 | E | 98.3 | Very high | 97.4 | Very high | 51 Ų | 51 | 82.2 Ų | 82.2 | 24% | 0.238 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.6 | -41.5 | 178 | -168.4 | 65.8 | -155 | 0 | 0 | 111.9 | L110 Y111 R112 E116 F117 Q118 W145 R149 | L110-E114 WeakPolarHBondContact O-CB 3.32Å; L110-E114 PolarHBondContact O-N 3.34Å; Y111-E114 PolarHBondContact O-N 3.11Å; R112-E114 VanDerWaalsContact C-N 3.34Å; E114-E116 VanDerWaalsContact C-N 3.33Å; E114-E116 PolarHBondContact O-N 3.06Å; E114-F117 WeakPolarHBondContact O-CB 3.23Å; E114-F117 PolarHBondContact O-N 2.83Å; E114-F117 VanDerWaalsContact O-N 3.17Å; E114-Q118 WeakPolarHBondContact O-CG 3.34Å; E114-Q118 PolarHBondContact O-N 3.08Å; E114-W145 HydrophobicContact CB-CH2 4.47Å; E114-R149 VanDerWaalsContact CD-NE 3.34Å; E114-R149 IonicContact OE1-CZ 3.83Å; E114-R149 VanDerWaalsContact OE1-CZ 3.32Å; E114-R149 IonicContact OE1-NE 3.11Å; E114-R149 PolarHBondContact OE1-NE 3.02Å; E114-R149 IonicContact OE1-NH2 3.63Å; E114-R149 PolarHBondContact OE1-NH2 3.02Å; E114-R149 WeakPolarHBondContact OE2-CD 3.43Å; E114-R149 IonicContact OE2-CZ 3.77Å; E114-R149 IonicContact OE2-NE 4Å; E114-R149 PolarHBondContact OE2-NE 3.1Å; E114-R149 IonicContact OE2-NH2 2.99Å |
| 115 | M | 98.1 | Very high | 97.6 | Very high | 62 Ų | 62 | 78.8 Ų | 78.8 | 31% | 0.305 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 175.4 | -175.7 | -174.3 | 68.9 | 0 | 0 | 111.2 | Y111 R112 F117 Q118 R119 | Y111-M115 WeakPolarHBondContact O-CB 3.02Å; Y111-M115 PolarHBondContact O-N 3.42Å; R112-M115 PolarHBondContact O-N 3.44Å; M115-F117 VanDerWaalsContact C-N 3.35Å; M115-Q118 PolarHBondContact O-N 3.14Å; M115-R119 PolarHBondContact O-N 2.93Å |
| 116 | E | 98 | Very high | 97.6 | Very high | 51 Ų | 51 | 87 Ų | 87 | 24% | 0.238 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 175.8 | -161 | 64 | -116.3 | 0 | 0 | 111.4 | R112 L113 E114 Q118 R119 C120 V123 L131 F146 | R112-E116 PolarHBondContact O-N 3.42Å; L113-E116 PolarHBondContact O-N 3.09Å; E114-E116 VanDerWaalsContact C-N 3.33Å; E114-E116 PolarHBondContact O-N 3.06Å; E116-Q118 VanDerWaalsContact C-N 3.28Å; E116-Q118 PolarHBondContact O-N 3.34Å; E116-R119 WeakPolarHBondContact O-CB 3.29Å; E116-R119 PolarHBondContact O-N 3.15Å; E116-R119 IonicContact OE1-NE 3.38Å; E116-C120 PolarHBondContact O-N 3.16Å; E116-V123 HydrophobicContact CG-CG1 4.3Å; E116-L131 HydrophobicContact CB-CD1 4.49Å; E116-L131 HydrophobicContact CB-CD2 4.21Å; E116-L131 HydrophobicContact CG-CD2 4.06Å; E116-F146 HydrophobicContact CB-CZ 4.3Å; E116-F146 HydrophobicContact CG-CZ 4.4Å |
| 117 | F | 98.2 | Very high | 97.6 | Very high | 6 Ų | 6 | 88.7 Ų | 88.7 | 3% | 0.026 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 176.9 | -173.1 | -99.4 | 0 | 0 | 0 | 113.2 | L113 E114 M115 R119 C120 Q121 W145 F146 R149 R150 | L113-F117 WeakPolarHBondContact O-CB 3.48Å; L113-F117 PolarHBondContact O-N 3.2Å; E114-F117 WeakPolarHBondContact O-CB 3.23Å; E114-F117 PolarHBondContact O-N 2.83Å; E114-F117 VanDerWaalsContact O-N 3.17Å; M115-F117 VanDerWaalsContact C-N 3.35Å; F117-R119 VanDerWaalsContact C-N 3.3Å; F117-C120 CarbonylContact O-C 3.54Å; F117-Q121 HydrophobicContact CD2-CB 4.43Å; F117-Q121 HydrophobicContact CE1-CG 4.1Å; F117-Q121 HydrophobicContact CE2-CB 3.86Å; F117-Q121 HydrophobicContact CE2-CG 4.02Å; F117-Q121 HydrophobicContact CZ-CB 4.06Å; F117-Q121 HydrophobicContact CZ-CG 3.78Å; F117-W145 HydrophobicContact CB-CH2 4.22Å; F117-W145 HydrophobicContact CB-CZ3 4.04Å; F117-W145 HydrophobicContact CD2-CZ3 4.32Å; F117-W145 HydrophobicContact CG-CZ3 4.38Å; F117-F146 HydrophobicContact CB-CE1 4.26Å; F117-F146 AromaticContact CD2-CD1 3.78Å; F117-F146 HydrophobicContact CD2-CD1 3.78Å; F117-F146 AromaticContact CD2-CE1 3.85Å; F117-F146 HydrophobicContact CD2-CE1 3.85Å; F117-F146 HydrophobicContact CE2-CD1 4.4Å; F117-R149 HydrophobicContact CD1-CG 3.72Å; F117-R149 HydrophobicContact CD2-CB 4.22Å; F117-R149 HydrophobicContact CD2-CG 3.65Å; F117-R149 HydrophobicContact CE1-CG 3.71Å; F117-R149 HydrophobicContact CE2-CB 4.07Å; F117-R149 HydrophobicContact CE2-CG 3.64Å; F117-R149 HydrophobicContact CG-CG 3.7Å; F117-R149 HydrophobicContact CZ-CB 4.41Å; F117-R149 HydrophobicContact CZ-CG 3.67Å; F117-R150 HydrophobicContact CE2-CG 3.72Å; F117-R150 HydrophobicContact CZ-CG 3.96Å |
| 118 | Q | 97.6 | Very high | 97.6 | Very high | 152 Ų | 152 | 87.4 Ų | 87.4 | 71% | 0.71 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.7 | -34 | 174.6 | -72 | 175.8 | -6 | 0 | 0 | 112.2 | E114 M115 E116 | E114-Q118 WeakPolarHBondContact O-CG 3.34Å; E114-Q118 PolarHBondContact O-N 3.08Å; M115-Q118 PolarHBondContact O-N 3.14Å; E116-Q118 VanDerWaalsContact C-N 3.28Å; E116-Q118 PolarHBondContact O-N 3.34Å |
| 119 | R | 96.9 | Very high | 97.6 | Very high | 201 Ų | 201 | 83.7 Ų | 83.7 | 76% | 0.758 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -76.7 | -45.4 | 175.7 | -69.1 | 178.4 | 57.7 | 77.9 | 3.9 | 112.1 | M115 E116 F117 | M115-R119 PolarHBondContact O-N 2.93Å; E116-R119 WeakPolarHBondContact O-CB 3.29Å; E116-R119 PolarHBondContact O-N 3.15Å; E116-R119 IonicContact OE1-NE 3.38Å; F117-R119 VanDerWaalsContact C-N 3.3Å |
| 120 | C | 96.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 85.4 Ų | 85.4 | 30% | 0.304 | 39% | 0.392 | S | S | . | . | trans | -146.8 | 117.4 | -178.4 | -169.1 | 0 | 0 | 0 | 0 | 110.9 | E116 F117 Y122 F146 | E116-C120 PolarHBondContact O-N 3.16Å; F117-C120 CarbonylContact O-C 3.54Å; C120-Y122 PolarHBondContact O-N 3.12Å; C120-Y122 PolarHBondContact SG-O 3.41Å; C120-F146 WeakPolarHBondContact O-CE1 3.28Å | ||
| 121 | Q | 97.2 | Very high | 97.6 | Very high | 84 Ų | 84 | 82.4 Ų | 82.4 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -74.5 | -8 | -178.7 | -64.6 | 177.1 | -1.5 | 0 | 0 | 113.7 | F117 R150 Q153 | F117-Q121 HydrophobicContact CD2-CB 4.43Å; F117-Q121 HydrophobicContact CE1-CG 4.1Å; F117-Q121 HydrophobicContact CE2-CB 3.86Å; F117-Q121 HydrophobicContact CE2-CG 4.02Å; F117-Q121 HydrophobicContact CZ-CB 4.06Å; F117-Q121 HydrophobicContact CZ-CG 3.78Å; Q121-R150 WeakPolarHBondContact O-CD 3.44Å; Q121-Q153 VanDerWaalsContact NE2-NE2 3.11Å |
| 122 | Y | 97.9 | Very high | 97.6 | Very high | 134 Ų | 134 | 75 Ų | 75 | 53% | 0.525 | 35% | 0.348 | S | S | . | . | trans | -136.2 | 98.1 | -175.3 | -68 | -97.9 | 0 | 0 | 0 | 110.9 | C120 R150 | C120-Y122 PolarHBondContact O-N 3.12Å; C120-Y122 PolarHBondContact SG-O 3.41Å; Y122-R150 VanDerWaalsContact CZ-CD 3.43Å; Y122-R150 VanDerWaalsContact CZ-NH1 3.34Å; Y122-R150 PolarHBondContact OH-NH1 3.32Å; Y122-R150 VanDerWaalsContact OH-NH1 3.12Å | ||
| 123 | V | 97 | Very high | 97.6 | Very high | 13 Ų | 13 | 77.6 Ų | 77.6 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | trans | -86.4 | 132 | 174.1 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | E116 R128 L131 V142 F146 | E116-V123 HydrophobicContact CG-CG1 4.3Å; V123-R128 HydrophobicContact CB-CB 4.37Å; V123-R128 HydrophobicContact CG2-CB 4.31Å; V123-L131 HydrophobicContact CG1-CD2 4.48Å; V123-V142 HydrophobicContact CG2-CG1 3.96Å; V123-F146 HydrophobicContact CB-CE1 4.29Å; V123-F146 HydrophobicContact CB-CZ 4.29Å; V123-F146 HydrophobicContact CG1-CD1 4.23Å; V123-F146 HydrophobicContact CG1-CE1 3.52Å; V123-F146 HydrophobicContact CG1-CE2 4.08Å; V123-F146 HydrophobicContact CG1-CZ 3.44Å; V123-F146 VanDerWaalsContact CG1-CZ 3.44Å; V123-F146 HydrophobicContact CG2-CB 4.46Å; V123-F146 HydrophobicContact CG2-CD1 3.85Å; V123-F146 HydrophobicContact CG2-CD2 3.61Å; V123-F146 HydrophobicContact CG2-CE1 3.92Å; V123-F146 HydrophobicContact CG2-CE2 3.69Å; V123-F146 HydrophobicContact CG2-CG 3.7Å; V123-F146 HydrophobicContact CG2-CZ 3.85Å | ||
| 124 | V | 96.7 | Very high | 97.6 | Very high | 92 Ų | 92 | 81.7 Ų | 81.7 | 56% | 0.558 | 38% | 0.377 | S | S | * | . | trans | -134.7 | 154.6 | -175.8 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | R126 E127 | V124-R126 PolarHBondContact O-N 2.86Å; V124-R126 VanDerWaalsContact O-N 3.12Å; V124-E127 PolarHBondContact O-N 3.45Å; V124-E127 VanDerWaalsContact O-N 3.1Å | ||
| 125 | G | 96.1 | Very high | 97.6 | Very high | 38 Ų | 38 | 79.9 Ų | 79.9 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | 45.2 | -116.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E127 R128 T129 | G125-E127 PolarHBondContact O-N 2.82Å; G125-R128 PolarHBondContact O-N 3.02Å; G125-T129 PolarHBondContact O-N 2.97Å; G125-T129 PolarHBondContact O-OG1 2.93Å; G125-T129 VanDerWaalsContact O-OG1 3.13Å |
| 126 | R | 97.1 | Very high | 97.5 | Very high | 224 Ų | 224 | 84 Ų | 84 | 85% | 0.845 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.3 | -43.8 | -176.9 | -178.3 | -175.4 | -78.1 | -167.7 | -3.7 | 113.6 | V124 R128 T129 E130 | V124-R126 PolarHBondContact O-N 2.86Å; V124-R126 VanDerWaalsContact O-N 3.12Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 2.85Å; R126-T129 PolarHBondContact O-N 2.95Å; R126-E130 PolarHBondContact O-N 3.44Å |
| 127 | E | 97.3 | Very high | 97.5 | Very high | 110 Ų | 110 | 82.6 Ų | 82.6 | 51% | 0.514 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | -177.2 | -63.6 | -180 | 155.1 | 0 | 0 | 111 | V124 G125 E130 L131 | V124-E127 PolarHBondContact O-N 3.45Å; V124-E127 VanDerWaalsContact O-N 3.1Å; G125-E127 PolarHBondContact O-N 2.82Å; E127-E130 PolarHBondContact O-N 3.27Å; E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 PolarHBondContact O-N 3.4Å |
| 128 | R | 98.4 | Very high | 97.4 | Very high | 56 Ų | 56 | 84.8 Ų | 84.8 | 21% | 0.211 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 174.8 | 175.2 | 175.3 | 55.8 | -135.6 | -6.9 | 111.5 | V123 G125 R126 E130 A132 E139 V142 | V123-R128 HydrophobicContact CB-CB 4.37Å; V123-R128 HydrophobicContact CG2-CB 4.31Å; G125-R128 PolarHBondContact O-N 3.02Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 2.85Å; R128-E130 VanDerWaalsContact C-N 3.33Å; R128-A132 WeakPolarHBondContact O-CB 3.31Å; R128-A132 PolarHBondContact O-N 3.36Å; R128-E139 HydrophobicContact CG-CB 4.08Å; R128-E139 HydrophobicContact CG-CG 4.13Å; R128-E139 IonicContact CZ-OE2 3.08Å; R128-E139 IonicContact NE-OE2 3.38Å; R128-E139 PolarHBondContact NE-OE2 3.28Å; R128-E139 VanDerWaalsContact NE-OE2 3.11Å; R128-V142 HydrophobicContact CG-CB 4.39Å; R128-V142 HydrophobicContact CG-CG1 4.22Å |
| 129 | T | 98.4 | Very high | 97.5 | Very high | 66 Ų | 66 | 81.1 Ų | 81.1 | 41% | 0.405 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 178.4 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | G125 R126 A132 R133 E139 | G125-T129 PolarHBondContact O-N 2.97Å; G125-T129 PolarHBondContact O-OG1 2.93Å; G125-T129 VanDerWaalsContact O-OG1 3.13Å; R126-T129 PolarHBondContact O-N 2.95Å; T129-A132 PolarHBondContact O-N 2.88Å; T129-R133 WeakPolarHBondContact O-CB 3.41Å; T129-R133 PolarHBondContact O-N 3.48Å; T129-E139 VanDerWaalsContact OG1-CD 3.26Å; T129-E139 PolarHBondContact OG1-OE1 2.89Å |
| 130 | E | 98.1 | Very high | 97.4 | Very high | 71 Ų | 71 | 75.7 Ų | 75.7 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | -179.8 | -178.5 | 54.2 | -159.1 | 0 | 0 | 112.2 | R126 E127 R128 A132 R133 Q134 | R126-E130 PolarHBondContact O-N 3.44Å; E127-E130 PolarHBondContact O-N 3.27Å; R128-E130 VanDerWaalsContact C-N 3.33Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.34Å; E130-R133 WeakPolarHBondContact O-CB 3.45Å; E130-R133 PolarHBondContact O-N 3Å; E130-R133 IonicContact OE1-CZ 2.77Å; E130-R133 IonicContact OE1-NE 3.32Å; E130-R133 IonicContact OE1-NH2 3.07Å; E130-R133 PolarHBondContact OE1-NH2 2.78Å; E130-R133 IonicContact OE2-CZ 3.81Å; E130-R133 IonicContact OE2-NE 3.83Å; E130-R133 PolarHBondContact OE2-NE 2.72Å; E130-R133 IonicContact OE2-NH2 2.67Å; E130-Q134 WeakPolarHBondContact O-CG 3.3Å; E130-Q134 PolarHBondContact O-N 3.18Å; E130-Q134 WeakPolarHBondContact OE1-CG 3.26Å; E130-Q134 PolarHBondContact OE1-NE2 2.91Å |
| 131 | L | 97.9 | Very high | 97.4 | Very high | 9 Ų | 9 | 76 Ų | 76 | 5% | 0.047 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 176.3 | -173.1 | 62.8 | 0 | 0 | 0 | 111.8 | L113 E116 V123 E127 Q134 L135 V142 F146 | L113-L131 HydrophobicContact CD2-CD2 4Å; L113-L131 HydrophobicContact CD2-CG 4.44Å; E116-L131 HydrophobicContact CB-CD1 4.49Å; E116-L131 HydrophobicContact CB-CD2 4.21Å; E116-L131 HydrophobicContact CG-CD2 4.06Å; V123-L131 HydrophobicContact CG1-CD2 4.48Å; E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 PolarHBondContact O-N 3.4Å; L131-Q134 PolarHBondContact O-N 2.9Å; L131-L135 HydrophobicContact CD1-CD1 3.79Å; L131-L135 HydrophobicContact CD1-CG 4.2Å; L131-L135 HydrophobicContact CG-CD1 3.98Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3Å; L131-L135 VanDerWaalsContact O-N 3.1Å; L131-V142 HydrophobicContact CD2-CG1 3.92Å; L131-F146 HydrophobicContact CD2-CE2 3.72Å; L131-F146 HydrophobicContact CD2-CZ 3.99Å |
| 132 | A | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 72 Ų | 72 | 3% | 0.033 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | R128 T129 E130 L135 N136 L137 E139 V142 | R128-A132 WeakPolarHBondContact O-CB 3.31Å; R128-A132 PolarHBondContact O-N 3.36Å; T129-A132 PolarHBondContact O-N 2.88Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.34Å; A132-L135 PolarHBondContact O-N 3.36Å; A132-N136 PolarHBondContact O-N 3.14Å; A132-N136 VanDerWaalsContact O-N 3.09Å; A132-L137 CarbonylContact C-O 3.42Å; A132-L137 WeakPolarHBondContact CB-O 3.32Å; A132-L137 PolarHBondContact O-N 3.35Å; A132-L137 VanDerWaalsContact O-O 3.1Å; A132-E139 HydrophobicContact CB-CG 4.05Å; A132-V142 HydrophobicContact CB-CG2 3.93Å |
| 133 | R | 98.2 | Very high | 97.4 | Very high | 160 Ų | 160 | 72 Ų | 72 | 60% | 0.604 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62 | -46.8 | 177.3 | -167.6 | -166 | 69.2 | 75.5 | 2.5 | 112.1 | T129 E130 L135 N136 | T129-R133 WeakPolarHBondContact O-CB 3.41Å; T129-R133 PolarHBondContact O-N 3.48Å; E130-R133 WeakPolarHBondContact O-CB 3.45Å; E130-R133 PolarHBondContact O-N 3Å; E130-R133 IonicContact OE1-CZ 2.77Å; E130-R133 IonicContact OE1-NE 3.32Å; E130-R133 IonicContact OE1-NH2 3.07Å; E130-R133 PolarHBondContact OE1-NH2 2.78Å; E130-R133 IonicContact OE2-CZ 3.81Å; E130-R133 IonicContact OE2-NE 3.83Å; E130-R133 PolarHBondContact OE2-NE 2.72Å; E130-R133 IonicContact OE2-NH2 2.67Å; R133-L135 VanDerWaalsContact C-N 3.28Å; R133-L135 PolarHBondContact O-N 3.42Å; R133-N136 PolarHBondContact O-N 3.38Å |
| 134 | Q | 97.7 | Very high | 97.4 | Very high | 87 Ų | 87 | 74.8 Ų | 74.8 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -33.7 | -179.5 | -71.9 | 178.7 | 11.4 | 0 | 0 | 112.9 | E130 L131 | E130-Q134 WeakPolarHBondContact O-CG 3.3Å; E130-Q134 PolarHBondContact O-N 3.18Å; E130-Q134 WeakPolarHBondContact OE1-CG 3.26Å; E130-Q134 PolarHBondContact OE1-NE2 2.91Å; L131-Q134 PolarHBondContact O-N 2.9Å |
| 135 | L | 97.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 71.7 Ų | 71.7 | 7% | 0.068 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -95.5 | -0.1 | -176.8 | -59.1 | -178.5 | 0 | 0 | 0 | 113.9 | Q109 R112 L113 L131 A132 R133 L137 | Q109-L135 HydrophobicContact CG-CB 4.43Å; Q109-L135 PolarHBondContact NE2-O 3.34Å; R112-L135 HydrophobicContact CB-CD1 4.29Å; R112-L135 HydrophobicContact CB-CD2 3.51Å; R112-L135 HydrophobicContact CB-CG 4.5Å; R112-L135 HydrophobicContact CG-CD2 3.81Å; L113-L135 HydrophobicContact CD1-CD1 4.36Å; L113-L135 HydrophobicContact CD2-CD1 3.66Å; L113-L135 HydrophobicContact CG-CD1 3.6Å; L131-L135 HydrophobicContact CD1-CD1 3.79Å; L131-L135 HydrophobicContact CD1-CG 4.2Å; L131-L135 HydrophobicContact CG-CD1 3.98Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3Å; L131-L135 VanDerWaalsContact O-N 3.1Å; A132-L135 PolarHBondContact O-N 3.36Å; R133-L135 VanDerWaalsContact C-N 3.28Å; R133-L135 PolarHBondContact O-N 3.42Å; L135-L137 HydrophobicContact CB-CD1 4.02Å; L135-L137 HydrophobicContact CB-CG 3.95Å; L135-L137 HydrophobicContact CD1-CD1 4.37Å; L135-L137 PolarHBondContact O-N 3.05Å |
| 136 | N | 97.6 | Very high | 97.6 | Very high | 147 Ų | 147 | 70.2 Ų | 70.2 | 79% | 0.786 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 42.9 | -171.8 | -57.6 | -71.2 | 0 | 0 | 0 | 112.2 | A132 R133 | A132-N136 PolarHBondContact O-N 3.14Å; A132-N136 VanDerWaalsContact O-N 3.09Å; R133-N136 PolarHBondContact O-N 3.38Å |
| 137 | L | 96.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 63.6 Ų | 63.6 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | trans | -115.1 | 160.1 | 176.5 | -62.4 | -179.1 | 0 | 0 | 0 | 109.9 | F105 L113 A132 L135 Q141 V142 | F105-L137 HydrophobicContact CD1-CD1 4.04Å; F105-L137 HydrophobicContact CD1-CD2 3.87Å; F105-L137 HydrophobicContact CE1-CD1 3.93Å; F105-L137 HydrophobicContact CE1-CD2 3.79Å; L113-L137 HydrophobicContact CD1-CD1 4.23Å; A132-L137 CarbonylContact C-O 3.42Å; A132-L137 WeakPolarHBondContact CB-O 3.32Å; A132-L137 PolarHBondContact O-N 3.35Å; A132-L137 VanDerWaalsContact O-O 3.1Å; L135-L137 HydrophobicContact CB-CD1 4.02Å; L135-L137 HydrophobicContact CB-CG 3.95Å; L135-L137 HydrophobicContact CD1-CD1 4.37Å; L135-L137 PolarHBondContact O-N 3.05Å; L137-Q141 HydrophobicContact CB-CB 4.45Å; L137-V142 HydrophobicContact CB-CG2 4.18Å; L137-V142 HydrophobicContact CD1-CG2 4.47Å | ||
| 138 | S | 97.4 | Very high | 97.6 | Very high | 53 Ų | 53 | 63.1 Ų | 63.1 | 37% | 0.371 | 31% | 0.313 | S | S | . | . | trans | -76.9 | 150.1 | 167.6 | 65.1 | 0 | 0 | 0 | 0 | 111.2 | T140 Q141 V142 | S138-T140 PolarHBondContact O-N 3.26Å; S138-T140 VanDerWaalsContact O-N 3.11Å; S138-Q141 WeakPolarHBondContact O-CB 3.19Å; S138-Q141 PolarHBondContact O-N 3.46Å; S138-Q141 VanDerWaalsContact OG-CG 3.25Å; S138-Q141 WeakPolarHBondContact OG-CG 3.32Å; S138-Q141 PolarHBondContact OG-N 2.86Å; S138-Q141 PolarHBondContact OG-OE1 2.94Å; S138-V142 PolarHBondContact O-N 3.38Å; S138-V142 VanDerWaalsContact O-N 3.1Å | ||
| 139 | E | 97.8 | Very high | 97.6 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54 | -33.8 | 173.3 | -71.4 | -164.5 | -142.8 | 0 | 0 | 112.6 | R128 T129 A132 V142 K143 | R128-E139 HydrophobicContact CG-CB 4.08Å; R128-E139 HydrophobicContact CG-CG 4.13Å; R128-E139 IonicContact CZ-OE2 3.08Å; R128-E139 IonicContact NE-OE2 3.38Å; R128-E139 PolarHBondContact NE-OE2 3.28Å; R128-E139 VanDerWaalsContact NE-OE2 3.11Å; T129-E139 VanDerWaalsContact OG1-CD 3.26Å; T129-E139 PolarHBondContact OG1-OE1 2.89Å; A132-E139 HydrophobicContact CB-CG 4.05Å; E139-V142 PolarHBondContact O-N 3.43Å; E139-K143 VanDerWaalsContact O-CB 3.31Å; E139-K143 WeakPolarHBondContact O-CB 3.4Å; E139-K143 PolarHBondContact O-N 3.34Å |
| 140 | T | 96.8 | Very high | 97.6 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 53% | 0.528 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 177 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | S138 K143 V144 | S138-T140 PolarHBondContact O-N 3.26Å; S138-T140 VanDerWaalsContact O-N 3.11Å; T140-K143 PolarHBondContact O-N 2.87Å; T140-V144 HydrophobicContact CG2-CG2 4.35Å; T140-V144 WeakPolarHBondContact O-CB 3.32Å; T140-V144 VanDerWaalsContact O-CG2 3.26Å; T140-V144 WeakPolarHBondContact O-CG2 3.38Å; T140-V144 PolarHBondContact O-N 3.11Å |
| 141 | Q | 96.8 | Very high | 97.5 | Very high | 52 Ų | 52 | 62.5 Ų | 62.5 | 24% | 0.243 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 175.8 | -75.9 | 163.7 | -56.8 | 0 | 0 | 111.4 | F105 L137 S138 V144 W145 | F105-Q141 HydrophobicContact CE1-CB 4.33Å; F105-Q141 HydrophobicContact CZ-CB 4.25Å; L137-Q141 HydrophobicContact CB-CB 4.45Å; S138-Q141 WeakPolarHBondContact O-CB 3.19Å; S138-Q141 PolarHBondContact O-N 3.46Å; S138-Q141 VanDerWaalsContact OG-CG 3.25Å; S138-Q141 WeakPolarHBondContact OG-CG 3.32Å; S138-Q141 PolarHBondContact OG-N 2.86Å; S138-Q141 PolarHBondContact OG-OE1 2.94Å; Q141-V144 PolarHBondContact O-N 2.94Å; Q141-W145 WeakPolarHBondContact O-CB 3.35Å; Q141-W145 PolarHBondContact O-N 3.5Å |
| 142 | V | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.8 | -49 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | L113 V123 R128 L131 A132 L137 S138 E139 V144 W145 F146 | L113-V142 HydrophobicContact CD2-CG1 4.4Å; V123-V142 HydrophobicContact CG2-CG1 3.96Å; R128-V142 HydrophobicContact CG-CB 4.39Å; R128-V142 HydrophobicContact CG-CG1 4.22Å; L131-V142 HydrophobicContact CD2-CG1 3.92Å; A132-V142 HydrophobicContact CB-CG2 3.93Å; L137-V142 HydrophobicContact CB-CG2 4.18Å; L137-V142 HydrophobicContact CD1-CG2 4.47Å; S138-V142 PolarHBondContact O-N 3.38Å; S138-V142 VanDerWaalsContact O-N 3.1Å; E139-V142 PolarHBondContact O-N 3.43Å; V142-V144 PolarHBondContact O-N 3.43Å; V142-W145 PolarHBondContact O-N 2.92Å; V142-F146 HydrophobicContact CG1-CD2 3.81Å; V142-F146 HydrophobicContact CG1-CE2 3.84Å; V142-F146 VanDerWaalsContact O-CD2 3.32Å; V142-F146 WeakPolarHBondContact O-CD2 3.41Å; V142-F146 PolarHBondContact O-N 2.77Å |
| 143 | K | 97.2 | Very high | 97.3 | Very high | 134 Ų | 134 | 69.5 Ų | 69.5 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -55.3 | -48.2 | 176.7 | -179.6 | -176.4 | 176.4 | -178.2 | 0 | 112.2 | E139 T140 F146 Q147 | E139-K143 VanDerWaalsContact O-CB 3.31Å; E139-K143 WeakPolarHBondContact O-CB 3.4Å; E139-K143 PolarHBondContact O-N 3.34Å; T140-K143 PolarHBondContact O-N 2.87Å; K143-F146 PolarHBondContact O-N 3.07Å; K143-Q147 WeakPolarHBondContact O-CB 3.49Å; K143-Q147 PolarHBondContact O-N 2.72Å |
| 144 | V | 97.1 | Very high | 97.1 | Very high | 71 Ų | 71 | 69.3 Ų | 69.3 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 179.6 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | T140 Q141 V142 Q147 N148 | T140-V144 HydrophobicContact CG2-CG2 4.35Å; T140-V144 WeakPolarHBondContact O-CB 3.32Å; T140-V144 VanDerWaalsContact O-CG2 3.26Å; T140-V144 WeakPolarHBondContact O-CG2 3.38Å; T140-V144 PolarHBondContact O-N 3.11Å; Q141-V144 PolarHBondContact O-N 2.94Å; V142-V144 PolarHBondContact O-N 3.43Å; V144-Q147 PolarHBondContact O-N 2.91Å; V144-N148 WeakPolarHBondContact O-CB 3.47Å; V144-N148 VanDerWaalsContact O-CG 3.24Å; V144-N148 PolarHBondContact O-N 2.9Å; V144-N148 PolarHBondContact O-ND2 3.46Å |
| 145 | W | 97.6 | Very high | 96.8 | Very high | 28 Ų | 28 | 71.5 Ų | 71.5 | 11% | 0.106 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -48.8 | 176.9 | -172.9 | 97.6 | 0 | 0 | 0 | 111.2 | F105 L113 E114 F117 Q141 V142 Q147 N148 R149 | F105-W145 AromaticContact CD2-CD1 3.71Å; F105-W145 HydrophobicContact CE2-CB 4.4Å; F105-W145 AromaticContact CE2-CD1 3.55Å; F105-W145 HydrophobicContact CE2-CG 4.34Å; L113-W145 HydrophobicContact CB-CD2 3.93Å; L113-W145 HydrophobicContact CB-CE3 3.88Å; L113-W145 HydrophobicContact CB-CH2 3.62Å; L113-W145 HydrophobicContact CB-CZ2 3.62Å; L113-W145 HydrophobicContact CB-CZ3 3.74Å; L113-W145 HydrophobicContact CD1-CD2 3.85Å; L113-W145 HydrophobicContact CD1-CE3 4.47Å; L113-W145 HydrophobicContact CD1-CG 3.85Å; L113-W145 HydrophobicContact CD2-CD2 4.32Å; L113-W145 HydrophobicContact CD2-CE3 4.17Å; L113-W145 HydrophobicContact CG-CD2 4.25Å; L113-W145 HydrophobicContact CG-CE3 4.4Å; E114-W145 HydrophobicContact CB-CH2 4.47Å; F117-W145 HydrophobicContact CB-CH2 4.22Å; F117-W145 HydrophobicContact CB-CZ3 4.04Å; F117-W145 HydrophobicContact CD2-CZ3 4.32Å; F117-W145 HydrophobicContact CG-CZ3 4.38Å; Q141-W145 WeakPolarHBondContact O-CB 3.35Å; Q141-W145 PolarHBondContact O-N 3.5Å; V142-W145 PolarHBondContact O-N 2.92Å; W145-Q147 VanDerWaalsContact C-N 3.31Å; W145-Q147 PolarHBondContact O-N 3.42Å; W145-N148 PolarHBondContact O-N 3.3Å; W145-R149 HydrophobicContact CE3-CB 4.06Å; W145-R149 HydrophobicContact CH2-CB 4.06Å; W145-R149 HydrophobicContact CH2-CG 3.74Å; W145-R149 HydrophobicContact CZ2-CG 4.42Å; W145-R149 HydrophobicContact CZ3-CB 3.81Å; W145-R149 HydrophobicContact CZ3-CG 3.84Å; W145-R149 VanDerWaalsContact O-CB 3.32Å; W145-R149 WeakPolarHBondContact O-CB 3.34Å; W145-R149 PolarHBondContact O-N 2.92Å |
| 146 | F | 98.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 73 Ų | 73 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.1 | -38.6 | 177.4 | -88.5 | -101.9 | 0 | 0 | 0 | 112.2 | L113 E116 F117 C120 V123 L131 V142 K143 R149 R150 | L113-F146 HydrophobicContact CD2-CE2 3.92Å; E116-F146 HydrophobicContact CB-CZ 4.3Å; E116-F146 HydrophobicContact CG-CZ 4.4Å; F117-F146 HydrophobicContact CB-CE1 4.26Å; F117-F146 AromaticContact CD2-CD1 3.78Å; F117-F146 HydrophobicContact CD2-CD1 3.78Å; F117-F146 AromaticContact CD2-CE1 3.85Å; F117-F146 HydrophobicContact CD2-CE1 3.85Å; F117-F146 HydrophobicContact CE2-CD1 4.4Å; C120-F146 WeakPolarHBondContact O-CE1 3.28Å; V123-F146 HydrophobicContact CB-CE1 4.29Å; V123-F146 HydrophobicContact CB-CZ 4.29Å; V123-F146 HydrophobicContact CG1-CD1 4.23Å; V123-F146 HydrophobicContact CG1-CE1 3.52Å; V123-F146 HydrophobicContact CG1-CE2 4.08Å; V123-F146 HydrophobicContact CG1-CZ 3.44Å; V123-F146 VanDerWaalsContact CG1-CZ 3.44Å; V123-F146 HydrophobicContact CG2-CB 4.46Å; V123-F146 HydrophobicContact CG2-CD1 3.85Å; V123-F146 HydrophobicContact CG2-CD2 3.61Å; V123-F146 HydrophobicContact CG2-CE1 3.92Å; V123-F146 HydrophobicContact CG2-CE2 3.69Å; V123-F146 HydrophobicContact CG2-CG 3.7Å; V123-F146 HydrophobicContact CG2-CZ 3.85Å; L131-F146 HydrophobicContact CD2-CE2 3.72Å; L131-F146 HydrophobicContact CD2-CZ 3.99Å; V142-F146 HydrophobicContact CG1-CD2 3.81Å; V142-F146 HydrophobicContact CG1-CE2 3.84Å; V142-F146 VanDerWaalsContact O-CD2 3.32Å; V142-F146 WeakPolarHBondContact O-CD2 3.41Å; V142-F146 PolarHBondContact O-N 2.77Å; K143-F146 PolarHBondContact O-N 3.07Å; F146-R149 PolarHBondContact O-N 3.43Å; F146-R150 WeakPolarHBondContact O-CG 3.42Å; F146-R150 PolarHBondContact O-N 3.17Å |
| 147 | Q | 98.1 | Very high | 95.7 | Very high | 86 Ų | 86 | 71.2 Ų | 71.2 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 174.6 | -175.1 | 58.2 | 72.1 | 0 | 0 | 111.7 | K143 V144 W145 R149 T151 | K143-Q147 WeakPolarHBondContact O-CB 3.49Å; K143-Q147 PolarHBondContact O-N 2.72Å; V144-Q147 PolarHBondContact O-N 2.91Å; W145-Q147 VanDerWaalsContact C-N 3.31Å; W145-Q147 PolarHBondContact O-N 3.42Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-T151 PolarHBondContact O-N 3.46Å; Q147-T151 VanDerWaalsContact O-N 3.14Å; Q147-T151 PolarHBondContact O-OG1 3.3Å; Q147-T151 VanDerWaalsContact O-OG1 3.11Å |
| 148 | N | 97.4 | Very high | 94.8 | Very high | 100 Ų | 100 | 72.1 Ų | 72.1 | 54% | 0.535 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.2 | -72 | -19.7 | 0 | 0 | 0 | 111.7 | V144 W145 T151 K152 | V144-N148 WeakPolarHBondContact O-CB 3.47Å; V144-N148 VanDerWaalsContact O-CG 3.24Å; V144-N148 PolarHBondContact O-N 2.9Å; V144-N148 PolarHBondContact O-ND2 3.46Å; W145-N148 PolarHBondContact O-N 3.3Å; N148-T151 PolarHBondContact O-N 2.8Å; N148-K152 PolarHBondContact O-N 3.08Å |
| 149 | R | 97.7 | Very high | 93.7 | Very high | 42 Ų | 42 | 74.4 Ų | 74.4 | 16% | 0.158 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.6 | -43 | 179.8 | -176.2 | 63.9 | -170.7 | 94.6 | -3.1 | 111.8 | E114 F117 W145 F146 Q147 K152 Q153 | E114-R149 VanDerWaalsContact CD-NE 3.34Å; E114-R149 IonicContact OE1-CZ 3.83Å; E114-R149 VanDerWaalsContact OE1-CZ 3.32Å; E114-R149 IonicContact OE1-NE 3.11Å; E114-R149 PolarHBondContact OE1-NE 3.02Å; E114-R149 IonicContact OE1-NH2 3.63Å; E114-R149 PolarHBondContact OE1-NH2 3.02Å; E114-R149 WeakPolarHBondContact OE2-CD 3.43Å; E114-R149 IonicContact OE2-CZ 3.77Å; E114-R149 IonicContact OE2-NE 4Å; E114-R149 PolarHBondContact OE2-NE 3.1Å; E114-R149 IonicContact OE2-NH2 2.99Å; F117-R149 HydrophobicContact CD1-CG 3.72Å; F117-R149 HydrophobicContact CD2-CB 4.22Å; F117-R149 HydrophobicContact CD2-CG 3.65Å; F117-R149 HydrophobicContact CE1-CG 3.71Å; F117-R149 HydrophobicContact CE2-CB 4.07Å; F117-R149 HydrophobicContact CE2-CG 3.64Å; F117-R149 HydrophobicContact CG-CG 3.7Å; F117-R149 HydrophobicContact CZ-CB 4.41Å; F117-R149 HydrophobicContact CZ-CG 3.67Å; W145-R149 HydrophobicContact CE3-CB 4.06Å; W145-R149 HydrophobicContact CH2-CB 4.06Å; W145-R149 HydrophobicContact CH2-CG 3.74Å; W145-R149 HydrophobicContact CZ2-CG 4.42Å; W145-R149 HydrophobicContact CZ3-CB 3.81Å; W145-R149 HydrophobicContact CZ3-CG 3.84Å; W145-R149 VanDerWaalsContact O-CB 3.32Å; W145-R149 WeakPolarHBondContact O-CB 3.34Å; W145-R149 PolarHBondContact O-N 2.92Å; F146-R149 PolarHBondContact O-N 3.43Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; R149-K152 PolarHBondContact O-N 2.95Å; R149-Q153 WeakPolarHBondContact O-CB 3.44Å; R149-Q153 PolarHBondContact O-N 3.23Å |
| 150 | R | 97.6 | Very high | 92.4 | Very high | 59 Ų | 59 | 75.3 Ų | 75.3 | 22% | 0.223 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 172.9 | -72.5 | -171.8 | -73 | 130.5 | -0 | 112.2 | F117 Q121 Y122 F146 K152 Q153 K154 | F117-R150 HydrophobicContact CE2-CG 3.72Å; F117-R150 HydrophobicContact CZ-CG 3.96Å; Q121-R150 WeakPolarHBondContact O-CD 3.44Å; Y122-R150 VanDerWaalsContact CZ-CD 3.43Å; Y122-R150 VanDerWaalsContact CZ-NH1 3.34Å; Y122-R150 PolarHBondContact OH-NH1 3.32Å; Y122-R150 VanDerWaalsContact OH-NH1 3.12Å; F146-R150 WeakPolarHBondContact O-CG 3.42Å; F146-R150 PolarHBondContact O-N 3.17Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 2.83Å; R150-Q153 PolarHBondContact O-N 2.76Å; R150-K154 PolarHBondContact O-N 3.18Å |
| 151 | T | 96.9 | Very high | 91.1 | Very high | 79 Ų | 79 | 75.1 Ų | 75.1 | 49% | 0.485 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 175.3 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | Q147 N148 K154 K155 | Q147-T151 PolarHBondContact O-N 3.46Å; Q147-T151 VanDerWaalsContact O-N 3.14Å; Q147-T151 PolarHBondContact O-OG1 3.3Å; Q147-T151 VanDerWaalsContact O-OG1 3.11Å; N148-T151 PolarHBondContact O-N 2.8Å; T151-K154 PolarHBondContact O-N 3.49Å; T151-K155 PolarHBondContact O-N 3.46Å |
| 152 | K | 95.2 | Very high | 89.9 | Confident | 113 Ų | 113 | 79.2 Ų | 79.2 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 175.2 | -177.6 | -178.7 | 177 | -67.3 | 0 | 111.3 | N148 R149 R150 K154 K155 D156 | N148-K152 PolarHBondContact O-N 3.08Å; R149-K152 PolarHBondContact O-N 2.95Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 2.83Å; K152-K154 VanDerWaalsContact C-N 3.3Å; K152-K154 PolarHBondContact O-N 2.71Å; K152-K155 WeakPolarHBondContact O-CB 3.25Å; K152-K155 PolarHBondContact O-N 3.21Å; K152-K155 VanDerWaalsContact O-N 3.08Å; K152-D156 WeakPolarHBondContact CG-OD2 3.34Å; K152-D156 IonicContact NZ-OD2 3.21Å; K152-D156 PolarHBondContact NZ-OD2 3.39Å; K152-D156 PolarHBondContact O-N 2.96Å |
| 153 | Q | 95.4 | Very high | 88.6 | Confident | 47 Ų | 47 | 84.4 Ų | 84.4 | 22% | 0.22 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 178.3 | -166.3 | -165.4 | 5.2 | 0 | 0 | 112.1 | Q121 R149 R150 D156 Q157 | Q121-Q153 VanDerWaalsContact NE2-NE2 3.11Å; R149-Q153 WeakPolarHBondContact O-CB 3.44Å; R149-Q153 PolarHBondContact O-N 3.23Å; R150-Q153 PolarHBondContact O-N 2.76Å; Q153-D156 PolarHBondContact O-N 3.1Å; Q153-Q157 WeakPolarHBondContact O-CB 3.42Å; Q153-Q157 VanDerWaalsContact O-CG 3.3Å; Q153-Q157 WeakPolarHBondContact O-CG 3.39Å; Q153-Q157 PolarHBondContact O-N 2.96Å; Q153-Q157 PolarHBondContact O-NE2 3.43Å |
| 154 | K | 93.9 | Very high | 87.4 | Confident | 156 Ų | 156 | 87.2 Ų | 87.2 | 68% | 0.678 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 175.3 | -168.9 | 178.8 | 74.2 | 170.1 | 0 | 111.7 | R150 T151 K152 G158 | R150-K154 PolarHBondContact O-N 3.18Å; T151-K154 PolarHBondContact O-N 3.49Å; K152-K154 VanDerWaalsContact C-N 3.3Å; K152-K154 PolarHBondContact O-N 2.71Å; K154-G158 PolarHBondContact O-N 2.78Å; K154-G158 VanDerWaalsContact O-N 3.14Å |
| 155 | K | 91.8 | Very high | 86.1 | Confident | 133 Ų | 133 | 87.3 Ų | 87.3 | 58% | 0.578 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65 | -41.1 | 177.2 | -173.6 | 175.6 | -175.9 | 176.8 | 0 | 111.9 | T151 K152 G158 K159 | T151-K155 PolarHBondContact O-N 3.46Å; K152-K155 WeakPolarHBondContact O-CB 3.25Å; K152-K155 PolarHBondContact O-N 3.21Å; K152-K155 VanDerWaalsContact O-N 3.08Å; K155-G158 PolarHBondContact O-N 3.49Å; K155-K159 HydrophobicContact CG-CD 4.39Å; K155-K159 WeakPolarHBondContact O-CG 3.45Å; K155-K159 PolarHBondContact O-N 3.09Å; K155-K159 VanDerWaalsContact O-N 3.16Å |
| 156 | D | 87.7 | Confident | 85.1 | Confident | 45 Ų | 45 | 89.6 Ų | 89.6 | 24% | 0.241 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66.7 | -45.2 | 179.7 | -64.5 | -15.2 | 0 | 0 | 0 | 110.2 | K152 Q153 G158 K159 D160 | K152-D156 WeakPolarHBondContact CG-OD2 3.34Å; K152-D156 IonicContact NZ-OD2 3.21Å; K152-D156 PolarHBondContact NZ-OD2 3.39Å; K152-D156 PolarHBondContact O-N 2.96Å; Q153-D156 PolarHBondContact O-N 3.1Å; D156-G158 VanDerWaalsContact C-N 3.33Å; D156-G158 PolarHBondContact O-N 2.92Å; D156-K159 PolarHBondContact O-N 3.36Å; D156-K159 VanDerWaalsContact O-N 3.15Å; D156-D160 PolarHBondContact O-N 2.93Å |
| 157 | Q | 85.4 | Confident | 84.1 | Confident | 109 Ų | 109 | 93.9 Ų | 93.9 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59 | -39.2 | 175 | -74.2 | 169.6 | 89.4 | 0 | 0 | 113.7 | Q153 S161 | Q153-Q157 WeakPolarHBondContact O-CB 3.42Å; Q153-Q157 VanDerWaalsContact O-CG 3.3Å; Q153-Q157 WeakPolarHBondContact O-CG 3.39Å; Q153-Q157 PolarHBondContact O-N 2.96Å; Q153-Q157 PolarHBondContact O-NE2 3.43Å; Q157-S161 WeakPolarHBondContact O-CB 3.19Å; Q157-S161 PolarHBondContact O-N 3.5Å; Q157-S161 VanDerWaalsContact O-N 3.09Å; Q157-S161 PolarHBondContact O-OG 3.41Å |
| 158 | G | 77.1 | Confident | 83.2 | Confident | 41 Ų | 41 | 93.7 Ų | 93.7 | 42% | 0.423 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K154 K155 D156 S161 E162 | K154-G158 PolarHBondContact O-N 2.78Å; K154-G158 VanDerWaalsContact O-N 3.14Å; K155-G158 PolarHBondContact O-N 3.49Å; D156-G158 VanDerWaalsContact C-N 3.33Å; D156-G158 PolarHBondContact O-N 2.92Å; G158-S161 PolarHBondContact O-N 3.3Å; G158-E162 PolarHBondContact O-N 3.36Å; G158-E162 VanDerWaalsContact O-N 3.12Å |
| 159 | K | 75.3 | Confident | 82.2 | Confident | 100 Ų | 100 | 94.9 Ų | 94.9 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70 | -41.6 | 177.3 | -69.9 | 169.8 | 170.2 | -168.9 | 0 | 112.8 | K155 D156 S161 E162 L163 | K155-K159 HydrophobicContact CG-CD 4.39Å; K155-K159 WeakPolarHBondContact O-CG 3.45Å; K155-K159 PolarHBondContact O-N 3.09Å; K155-K159 VanDerWaalsContact O-N 3.16Å; D156-K159 PolarHBondContact O-N 3.36Å; D156-K159 VanDerWaalsContact O-N 3.15Å; K159-S161 PolarHBondContact O-N 3.02Å; K159-E162 PolarHBondContact O-N 3.19Å; K159-L163 WeakPolarHBondContact O-CB 3.43Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.36Å; K159-L163 PolarHBondContact O-N 2.89Å |
| 160 | D | 69.9 | Low | 81.7 | Confident | 95 Ų | 95 | 96.5 Ų | 96.5 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 175.7 | -87.7 | -61.1 | 0 | 0 | 0 | 110.9 | D156 R164 | D156-D160 PolarHBondContact O-N 2.93Å; D160-R164 WeakPolarHBondContact O-CB 3.1Å; D160-R164 WeakPolarHBondContact O-CG 3.49Å; D160-R164 PolarHBondContact O-N 3.4Å |
| 161 | S | 69.9 | Low | 81 | Confident | 81 Ų | 81 | 96.2 Ų | 96.2 | 57% | 0.566 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.1 | -43.2 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 112.1 | Q157 G158 K159 R164 S165 | Q157-S161 WeakPolarHBondContact O-CB 3.19Å; Q157-S161 PolarHBondContact O-N 3.5Å; Q157-S161 VanDerWaalsContact O-N 3.09Å; Q157-S161 PolarHBondContact O-OG 3.41Å; G158-S161 PolarHBondContact O-N 3.3Å; K159-S161 PolarHBondContact O-N 3.02Å; S161-R164 PolarHBondContact O-N 3.36Å; S161-S165 WeakPolarHBondContact O-CB 3.26Å; S161-S165 PolarHBondContact O-N 2.84Å |
| 162 | E | 70.5 | Confident | 80.5 | Confident | 139 Ų | 139 | 95 Ų | 95 | 65% | 0.65 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.6 | -45.6 | 176.7 | -172.8 | 168 | -176.7 | 0 | 0 | 112 | G158 K159 R164 S165 V166 | G158-E162 PolarHBondContact O-N 3.36Å; G158-E162 VanDerWaalsContact O-N 3.12Å; K159-E162 PolarHBondContact O-N 3.19Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.17Å; E162-S165 WeakPolarHBondContact O-CB 3.37Å; E162-S165 PolarHBondContact O-N 3.46Å; E162-S165 VanDerWaalsContact O-N 3.16Å; E162-V166 WeakPolarHBondContact O-CG2 3.18Å; E162-V166 PolarHBondContact O-N 3.37Å |
| 163 | L | 70.4 | Confident | 80.1 | Confident | 108 Ų | 108 | 93 Ų | 93 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.6 | -40.9 | 174.7 | -72.5 | 171.5 | 0 | 0 | 0 | 111.8 | K159 S165 V166 V167 | K159-L163 WeakPolarHBondContact O-CB 3.43Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.36Å; K159-L163 PolarHBondContact O-N 2.89Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-V166 PolarHBondContact O-N 3.21Å; L163-V167 WeakPolarHBondContact O-CB 3.16Å; L163-V167 VanDerWaalsContact O-CG2 3.23Å; L163-V167 WeakPolarHBondContact O-CG2 3.14Å; L163-V167 PolarHBondContact O-N 3.01Å |
| 164 | R | 71.2 | Confident | 79.5 | Confident | 194 Ų | 194 | 94.1 Ų | 94.1 | 73% | 0.732 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -39.5 | 174.4 | -77.4 | -85.6 | 149.6 | 139.7 | -8.5 | 111.7 | D160 S161 E162 S168 | D160-R164 WeakPolarHBondContact O-CB 3.1Å; D160-R164 WeakPolarHBondContact O-CG 3.49Å; D160-R164 PolarHBondContact O-N 3.4Å; S161-R164 PolarHBondContact O-N 3.36Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.17Å; R164-S168 WeakPolarHBondContact O-CB 3.41Å; R164-S168 PolarHBondContact O-N 3.47Å |
| 165 | S | 71.3 | Confident | 79.2 | Confident | 72 Ų | 72 | 90.4 Ų | 90.4 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -49.9 | 175.4 | -167.8 | 0 | 0 | 0 | 0 | 111.5 | S161 E162 L163 V167 S168 E169 | S161-S165 WeakPolarHBondContact O-CB 3.26Å; S161-S165 PolarHBondContact O-N 2.84Å; E162-S165 WeakPolarHBondContact O-CB 3.37Å; E162-S165 PolarHBondContact O-N 3.46Å; E162-S165 VanDerWaalsContact O-N 3.16Å; L163-S165 VanDerWaalsContact C-N 3.33Å; S165-V167 VanDerWaalsContact C-N 3.35Å; S165-V167 PolarHBondContact O-N 3.37Å; S165-S168 PolarHBondContact O-N 3.26Å; S165-E169 WeakPolarHBondContact O-CB 3.41Å; S165-E169 PolarHBondContact O-N 3.11Å |
| 166 | V | 76.4 | Confident | 79.1 | Confident | 76 Ų | 76 | 88.1 Ų | 88.1 | 46% | 0.461 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 179.9 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | E162 L163 E169 T170 | E162-V166 WeakPolarHBondContact O-CG2 3.18Å; E162-V166 PolarHBondContact O-N 3.37Å; L163-V166 PolarHBondContact O-N 3.21Å; V166-E169 PolarHBondContact O-N 3.35Å; V166-T170 WeakPolarHBondContact O-CB 3.18Å; V166-T170 PolarHBondContact O-N 2.77Å; V166-T170 PolarHBondContact O-OG1 3.41Å |
| 167 | V | 77.8 | Confident | 79 | Confident | 97 Ų | 97 | 90.8 Ų | 90.8 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 175.2 | 170.5 | 0 | 0 | 0 | 0 | 111 | L163 S165 T170 A171 | L163-V167 WeakPolarHBondContact O-CB 3.16Å; L163-V167 VanDerWaalsContact O-CG2 3.23Å; L163-V167 WeakPolarHBondContact O-CG2 3.14Å; L163-V167 PolarHBondContact O-N 3.01Å; S165-V167 VanDerWaalsContact C-N 3.35Å; S165-V167 PolarHBondContact O-N 3.37Å; V167-T170 PolarHBondContact O-N 2.87Å; V167-A171 VanDerWaalsContact O-CB 3.3Å; V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 2.83Å |
| 168 | S | 77.8 | Confident | 79 | Confident | 81 Ų | 81 | 92.9 Ų | 92.9 | 57% | 0.566 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65 | -40.7 | 177 | -168.7 | 0 | 0 | 0 | 0 | 112.1 | R164 S165 A171 A172 | R164-S168 WeakPolarHBondContact O-CB 3.41Å; R164-S168 PolarHBondContact O-N 3.47Å; S165-S168 PolarHBondContact O-N 3.26Å; S168-A171 PolarHBondContact O-N 2.87Å; S168-A172 WeakPolarHBondContact O-CB 3.42Å; S168-A172 PolarHBondContact O-N 3.2Å |
| 169 | E | 77.2 | Confident | 79.4 | Confident | 125 Ų | 125 | 95.8 Ų | 95.8 | 58% | 0.584 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.5 | -41.8 | 177.1 | -173.7 | 175.2 | 175.1 | 0 | 0 | 111.8 | S165 V166 A172 T173 | S165-E169 WeakPolarHBondContact O-CB 3.41Å; S165-E169 PolarHBondContact O-N 3.11Å; V166-E169 PolarHBondContact O-N 3.35Å; E169-A172 PolarHBondContact O-N 2.96Å; E169-T173 WeakPolarHBondContact O-CB 3.34Å; E169-T173 PolarHBondContact O-N 2.94Å; E169-T173 PolarHBondContact O-OG1 3.28Å |
| 170 | T | 85.9 | Confident | 79.7 | Confident | 76 Ų | 76 | 96.3 Ų | 96.3 | 47% | 0.466 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 174.3 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | V166 V167 A172 T173 C174 | V166-T170 WeakPolarHBondContact O-CB 3.18Å; V166-T170 PolarHBondContact O-N 2.77Å; V166-T170 PolarHBondContact O-OG1 3.41Å; V167-T170 PolarHBondContact O-N 2.87Å; T170-A172 PolarHBondContact O-N 2.71Å; T170-T173 PolarHBondContact O-N 3.02Å; T170-C174 PolarHBondContact O-N 3.33Å; T170-C174 PolarHBondContact O-SG 2.95Å |
| 171 | A | 84.3 | Confident | 79.9 | Confident | 53 Ų | 53 | 99.6 Ų | 99.6 | 44% | 0.438 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V167 S168 S175 | V167-A171 VanDerWaalsContact O-CB 3.3Å; V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 2.83Å; S168-A171 PolarHBondContact O-N 2.87Å; A171-S175 WeakPolarHBondContact O-CB 3.28Å; A171-S175 PolarHBondContact O-N 3.24Å; A171-S175 PolarHBondContact O-OG 3.49Å |
| 172 | A | 86.4 | Confident | 80.1 | Confident | 53 Ų | 53 | 100.6 Ų | 100.6 | 44% | 0.438 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S168 E169 T170 S175 V176 | S168-A172 WeakPolarHBondContact O-CB 3.42Å; S168-A172 PolarHBondContact O-N 3.2Å; E169-A172 PolarHBondContact O-N 2.96Å; T170-A172 PolarHBondContact O-N 2.71Å; A172-S175 WeakPolarHBondContact O-CB 3.48Å; A172-S175 PolarHBondContact O-N 2.88Å; A172-S175 VanDerWaalsContact O-N 3.14Å; A172-V176 WeakPolarHBondContact O-CG2 2.9Å; A172-V176 PolarHBondContact O-N 3.44Å |
| 173 | T | 86.3 | Confident | 79.6 | Confident | 73 Ų | 73 | 97 Ų | 97 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 176.6 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | E169 T170 S175 V176 L177 | E169-T173 WeakPolarHBondContact O-CB 3.34Å; E169-T173 PolarHBondContact O-N 2.94Å; E169-T173 PolarHBondContact O-OG1 3.28Å; T170-T173 PolarHBondContact O-N 3.02Å; T173-S175 VanDerWaalsContact C-N 3.26Å; T173-S175 PolarHBondContact O-N 3.12Å; T173-V176 PolarHBondContact O-N 3.39Å; T173-L177 HydrophobicContact CG2-CD1 4.17Å; T173-L177 HydrophobicContact CG2-CG 4.48Å; T173-L177 VanDerWaalsContact O-CG 3.32Å; T173-L177 WeakPolarHBondContact O-CG 3.44Å; T173-L177 PolarHBondContact O-N 2.75Å |
| 174 | C | 83.3 | Confident | 79 | Confident | 70 Ų | 70 | 101.6 Ų | 101.6 | 47% | 0.473 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -59.8 | -37.7 | 174.9 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | T170 R178 | T170-C174 PolarHBondContact O-N 3.33Å; T170-C174 PolarHBondContact O-SG 2.95Å; C174-R178 PolarHBondContact O-N 2.63Å |
| 175 | S | 88.1 | Confident | 78.3 | Confident | 77 Ų | 77 | 99 Ų | 99 | 54% | 0.538 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.6 | -43.7 | 177.5 | -58 | 0 | 0 | 0 | 0 | 111.7 | A171 A172 T173 R178 L179 | A171-S175 WeakPolarHBondContact O-CB 3.28Å; A171-S175 PolarHBondContact O-N 3.24Å; A171-S175 PolarHBondContact O-OG 3.49Å; A172-S175 WeakPolarHBondContact O-CB 3.48Å; A172-S175 PolarHBondContact O-N 2.88Å; A172-S175 VanDerWaalsContact O-N 3.14Å; T173-S175 VanDerWaalsContact C-N 3.26Å; T173-S175 PolarHBondContact O-N 3.12Å; S175-R178 PolarHBondContact O-N 2.89Å; S175-L179 PolarHBondContact O-N 2.83Å; S175-L179 VanDerWaalsContact O-N 3.16Å |
| 176 | V | 88.4 | Confident | 77.3 | Confident | 85 Ų | 85 | 103.5 Ų | 103.5 | 52% | 0.515 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.8 | -46.1 | 175.7 | 172 | 0 | 0 | 0 | 0 | 111.2 | A172 T173 R178 L179 L180 | A172-V176 WeakPolarHBondContact O-CG2 2.9Å; A172-V176 PolarHBondContact O-N 3.44Å; T173-V176 PolarHBondContact O-N 3.39Å; V176-R178 VanDerWaalsContact C-N 3.34Å; V176-R178 PolarHBondContact O-N 3.38Å; V176-L179 WeakPolarHBondContact O-CB 3.29Å; V176-L179 PolarHBondContact O-N 2.67Å; V176-L180 HydrophobicContact CG1-CD1 4.03Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 WeakPolarHBondContact O-CG 3.43Å; V176-L180 PolarHBondContact O-N 2.95Å |
| 177 | L | 87.1 | Confident | 75.9 | Confident | 102 Ų | 102 | 105.9 Ų | 105.9 | 53% | 0.534 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.1 | -42.8 | 178.5 | -69.9 | 174.3 | 0 | 0 | 0 | 111.9 | T173 L179 L180 E181 | T173-L177 HydrophobicContact CG2-CD1 4.17Å; T173-L177 HydrophobicContact CG2-CG 4.48Å; T173-L177 VanDerWaalsContact O-CG 3.32Å; T173-L177 WeakPolarHBondContact O-CG 3.44Å; T173-L177 PolarHBondContact O-N 2.75Å; L177-L179 VanDerWaalsContact C-N 3.29Å; L177-L179 PolarHBondContact O-N 3.21Å; L177-L180 PolarHBondContact O-N 3.37Å; L177-E181 WeakPolarHBondContact O-CB 3.06Å; L177-E181 PolarHBondContact O-N 3.22Å |
| 178 | R | 83.4 | Confident | 74.5 | Confident | 153 Ų | 153 | 106.6 Ų | 106.6 | 58% | 0.577 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -59.4 | -38.5 | 172.8 | -100.3 | -175.3 | 62.3 | 94.5 | -4 | 112.9 | C174 S175 V176 Q182 | C174-R178 PolarHBondContact O-N 2.63Å; S175-R178 PolarHBondContact O-N 2.89Å; V176-R178 VanDerWaalsContact C-N 3.34Å; V176-R178 PolarHBondContact O-N 3.38Å; R178-Q182 VanDerWaalsContact NH2-NE2 3.12Å; R178-Q182 WeakPolarHBondContact O-CB 3.5Å; R178-Q182 WeakPolarHBondContact O-CG 3.49Å; R178-Q182 PolarHBondContact O-N 2.91Å; R178-Q182 VanDerWaalsContact O-N 3.12Å |
| 179 | L | 85.9 | Confident | 73.2 | Confident | 101 Ų | 101 | 109 Ų | 109 | 53% | 0.529 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71 | -36.8 | -178.6 | -154.1 | 72.7 | 0 | 0 | 0 | 111.8 | S175 V176 L177 | S175-L179 PolarHBondContact O-N 2.83Å; S175-L179 VanDerWaalsContact O-N 3.16Å; V176-L179 WeakPolarHBondContact O-CB 3.29Å; V176-L179 PolarHBondContact O-N 2.67Å; L177-L179 VanDerWaalsContact C-N 3.29Å; L177-L179 PolarHBondContact O-N 3.21Å |
| 180 | L | 83.1 | Confident | 71.4 | Confident | 111 Ų | 111 | 106.2 Ų | 106.2 | 58% | 0.581 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.6 | -42.2 | 174.6 | -66.6 | 174.1 | 0 | 0 | 0 | 111.6 | V176 L177 Q182 G183 | V176-L180 HydrophobicContact CG1-CD1 4.03Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 WeakPolarHBondContact O-CG 3.43Å; V176-L180 PolarHBondContact O-N 2.95Å; L177-L180 PolarHBondContact O-N 3.37Å; L180-Q182 PolarHBondContact O-N 3.37Å; L180-G183 PolarHBondContact O-N 3.13Å; L180-G183 VanDerWaalsContact O-N 3.09Å |
| 181 | E | 73.4 | Confident | 69.7 | Low | 165 Ų | 165 | 111 Ų | 111 | 77% | 0.771 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.1 | -33.3 | 175.5 | -174.1 | 178.1 | -155.8 | 0 | 0 | 112.2 | L177 G183 | L177-E181 WeakPolarHBondContact O-CB 3.06Å; L177-E181 PolarHBondContact O-N 3.22Å; E181-G183 PolarHBondContact O-N 3.41Å |
| 182 | Q | 73.3 | Confident | 67.9 | Low | 101 Ų | 101 | 114.6 Ų | 114.6 | 47% | 0.472 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | 4.7 | 176.5 | -72 | 172.6 | 8.9 | 0 | 0 | 114.4 | R178 L180 R184 | R178-Q182 VanDerWaalsContact NH2-NE2 3.12Å; R178-Q182 WeakPolarHBondContact O-CB 3.5Å; R178-Q182 WeakPolarHBondContact O-CG 3.49Å; R178-Q182 PolarHBondContact O-N 2.91Å; R178-Q182 VanDerWaalsContact O-N 3.12Å; L180-Q182 PolarHBondContact O-N 3.37Å; Q182-R184 VanDerWaalsContact C-N 3.26Å; Q182-R184 PolarHBondContact O-N 2.79Å |
| 183 | G | 60.7 | Low | 65.7 | Low | 64 Ų | 64 | 115 Ų | 115 | 66% | 0.66 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.9 | 28.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L180 E181 | L180-G183 PolarHBondContact O-N 3.13Å; L180-G183 VanDerWaalsContact O-N 3.09Å; E181-G183 PolarHBondContact O-N 3.41Å |
| 184 | R | 58.3 | Low | 63.6 | Low | 204 Ų | 204 | 119.9 Ų | 119.9 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | trans | -97.1 | 18.5 | -173.1 | -86 | -78 | 176.3 | 161.6 | -0.9 | 115.5 | Q182 | Q182-R184 VanDerWaalsContact C-N 3.26Å; Q182-R184 PolarHBondContact O-N 2.79Å | ||
| 185 | L | 56.3 | Low | 61.9 | Low | 141 Ų | 141 | 123.9 Ų | 123.9 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -144.2 | 72.7 | 168.7 | -70.9 | -177.8 | 0 | 0 | 0 | 112.5 | ||
| 186 | L | 51 | Low | 60.1 | Low | 166 Ų | 166 | 126.4 Ų | 126.4 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -156.9 | 66.9 | 143.6 | -78.7 | -170.2 | 0 | 0 | 0 | 108.8 | ||
| 187 | T | 45.3 | Very low | 57.9 | Low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | -146.4 | 103.5 | 156.9 | -37.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 188 | P | 50 | Low | 55.3 | Low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | trans | -59.4 | 132.6 | 160.8 | -6.7 | 21.4 | 0 | 0 | 0 | 106.7 | G190 | P188-G190 VanDerWaalsContact C-N 3.32Å; P188-G190 PolarHBondContact O-N 3.27Å | ||
| 189 | P | 49.7 | Very low | 53 | Low | 133 Ų | 133 | 126.7 Ų | 126.7 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -63 | 99.5 | 170.9 | -16.6 | 29.7 | 0 | 0 | 0 | 108.3 | L191 | P189-L191 PolarHBondContact O-N 3.46Š| ||
| 190 | G | 39.1 | Very low | 50.7 | Low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | trans | -68.3 | 126.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P188 | P188-G190 VanDerWaalsContact C-N 3.32Å; P188-G190 PolarHBondContact O-N 3.27Å | ||
| 191 | L | 49.8 | Very low | 48.5 | Very low | 176 Ų | 176 | 126.6 Ų | 126.6 | 92% | 0.921 | 76% | 0.764 | S | S | * | * | trans | -50.8 | 131.9 | 147.5 | -82.3 | 144 | 0 | 0 | 0 | 109.4 | P189 | P189-L191 PolarHBondContact O-N 3.46Š| ||
| 192 | P | 46.8 | Very low | 46.9 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | -147.3 | 162.6 | 101.9 | 36.7 | -20 | 0 | 0 | 0 | 111.1 | |||||
| 193 | G | 39.9 | Very low | 45.3 | Very low | 62 Ų | 62 | 132.4 Ų | 132.4 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | cis | 169.6 | 142.8 | 8.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 194 | L | 42.9 | Very low | 45.2 | Very low | 175 Ų | 175 | 134.8 Ų | 134.8 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | 62.5 | 118.3 | 152.3 | -50.4 | -175.7 | 0 | 0 | 0 | 121.3 | ||||
| 195 | L | 47.6 | Very low | 45 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -21.2 | 159.3 | 154.5 | -71.3 | 158.1 | 0 | 0 | 0 | 117.5 | ||||
| 196 | P | 50.2 | Low | 44.1 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | -131 | 146.2 | 98.7 | 17.1 | 2.9 | 0 | 0 | 0 | 115.5 | |||||
| 197 | H | 41.3 | Very low | 44 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -65.3 | 143.4 | 178 | 176.3 | 89.9 | 0 | 0 | 0 | 114.7 | ||||
| 198 | C | 34 | Very low | 43.6 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 90% | 0.899 | 79% | 0.79 | S | S | * | * | trans | -176.5 | 128.4 | 144.5 | -76.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 199 | G | 35.2 | Very low | 43.2 | Very low | 56 Ų | 56 | 130.5 Ų | 130.5 | 58% | 0.577 | 80% | 0.797 | S | S | * | * | cis | 175.3 | 138.4 | -1.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 200 | S | 37.1 | Very low | 43.9 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | 55.8 | 120.7 | 152.7 | -59.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 201 | A | 37.1 | Very low | 44.8 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | 165.5 | 121.5 | 78.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 202 | L | 39 | Very low | 44.4 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | 65.9 | 111.7 | 128.2 | -56.5 | 174.5 | 0 | 0 | 0 | 122.8 | |||||
| 203 | R | 40.5 | Very low | 44.7 | Very low | 231 Ų | 231 | 131 Ų | 131 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | 94.7 | 129.2 | 133.1 | -74.5 | -177.1 | 104 | -177.6 | 5.7 | 121 | ||||
| 204 | P | 58.2 | Low | 44.6 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -90.9 | 179.9 | 163.3 | 44.3 | -36 | 0 | 0 | 0 | 109.5 | ||||
| 205 | P | 53.7 | Low | 44.4 | Very low | 114 Ų | 114 | 129.6 Ų | 129.6 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | -160.5 | -179.9 | 55 | 43 | -18.3 | 0 | 0 | 0 | 120 | |||||
| 206 | S | 38.5 | Very low | 44 | Very low | 103 Ų | 103 | 128.3 Ų | 128.3 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | 69.4 | 119.3 | 139.8 | -70.7 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 207 | I | 48 | Very low | 43.4 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | 34.5 | 119 | 121.6 | -50.8 | 173.4 | 0 | 0 | 0 | 118.3 | |||||
| 208 | A | 36.4 | Very low | 43.2 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -164.8 | 135.3 | 137.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 209 | M | 41.8 | Very low | 43.3 | Very low | 174 Ų | 174 | 122 Ų | 122 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | trans | -111.6 | -179.3 | 167.3 | -146.5 | -174.7 | 106.8 | 0 | 0 | 108 | ||||
| 210 | P | 65.3 | Low | 43.5 | Very low | 97 Ų | 97 | 126 Ų | 126 | 63% | 0.63 | 78% | 0.783 | S | S | * | * | -93.8 | -167.4 | -112.5 | 40.8 | -23.3 | 0 | 0 | 0 | 113.9 | |||||
| 211 | P | 57 | Low | 43.5 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | -153.7 | 177.7 | 93.8 | 36.9 | -15.2 | 0 | 0 | 0 | 117.4 | |||||
| 212 | L | 42.1 | Very low | 43.5 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -52.7 | 174 | 177 | -64.4 | 152 | 0 | 0 | 0 | 115.9 | ||||
| 213 | P | 53.7 | Low | 43.4 | Very low | 131 Ų | 131 | 123.1 Ų | 123.1 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | -134.4 | 142.6 | 119.2 | 34.6 | -22.2 | 0 | 0 | 0 | 117.6 | |||||
| 214 | A | 36.3 | Very low | 43.4 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | trans | -39.8 | 138 | 159.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 215 | V | 39.8 | Very low | 42.4 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | 31.8 | 132.8 | 127.4 | 45.7 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 216 | T | 39.4 | Very low | 42 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | -175.9 | 107.5 | 121.5 | 27.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 217 | S | 36.3 | Very low | 42.8 | Very low | 97 Ų | 97 | 122.9 Ų | 122.9 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | 54.8 | 111.9 | 98.1 | 62.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 218 | S | 38.9 | Very low | 42.9 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | 172.4 | 156.8 | 79.7 | -70.4 | 0 | 0 | 0 | 0 | 107 | |||||
| 219 | G | 35.8 | Very low | 43 | Very low | 63 Ų | 63 | 121.1 Ų | 121.1 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | cis | 172 | 147 | -0 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 220 | T | 39 | Very low | 43 | Very low | 140 Ų | 140 | 116.3 Ų | 116.3 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | 53 | 131.1 | 148.3 | 21.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 221 | V | 37.8 | Very low | 41.7 | Very low | 132 Ų | 132 | 120.9 Ų | 120.9 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | cis | -164.3 | 154.8 | 45.4 | -75.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 222 | A | 36.6 | Very low | 40.7 | Very low | 103 Ų | 103 | 118.3 Ų | 118.3 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | 45.8 | 115.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 223 | G | 36.5 | Very low | 40.9 | Very low | 71 Ų | 71 | 120.6 Ų | 120.6 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | 106.3 | 110.3 | 68.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 224 | L | 39.8 | Very low | 40.2 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | -173.7 | 136.4 | 80.5 | -100.6 | 104.8 | 0 | 0 | 0 | 110.2 | |||||
| 225 | Q | 37.8 | Very low | 40.2 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | 60.8 | 95.2 | 130.4 | -148.4 | 153.6 | 50.3 | 0 | 0 | 123.2 | ||||
| 226 | S | 44.7 | Very low | 40 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 67.3 | 152.1 | 132.4 | 57.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 227 | P | 54.8 | Low | 40.4 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -117.3 | -161.7 | -146.8 | 47.5 | -33.5 | 0 | 0 | 0 | 113.2 | ||||
| 228 | P | 50.5 | Low | 41 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | cis | -141.8 | 170.5 | 4.7 | 42 | -21.4 | 0 | 0 | 0 | 120 | ||||
| 229 | S | 39.4 | Very low | 41.5 | Very low | 121 Ų | 121 | 130 Ų | 130 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 69.4 | 104.8 | 145.6 | -64 | 0 | 0 | 0 | 0 | 121 | ||||
| 230 | A | 40.5 | Very low | 41.8 | Very low | 73 Ų | 73 | 132 Ų | 132 | 60% | 0.603 | 79% | 0.791 | S | S | * | * | trans | -123.1 | 159.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 231 | H | 39.8 | Very low | 42.1 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 89% | 0.889 | 79% | 0.791 | S | S | * | * | trans | 87.6 | 137.4 | 157.4 | -47.6 | -68.5 | 0 | 0 | 0 | 119 | ||||
| 232 | G | 35.5 | Very low | 42.2 | Very low | 69 Ų | 69 | 135.4 Ų | 135.4 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | trans | 159.5 | 66.6 | 151 | 0 | 0 | 0 | 0 | 0 | 115.4 | F234 | G232-F234 PolarHBondContact O-N 2.83Š| ||
| 233 | F | 44.8 | Very low | 42.2 | Very low | 210 Ų | 210 | 136.2 Ų | 136.2 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | -54.2 | 129.1 | 157 | -73.5 | -94.6 | 0 | 0 | 0 | 110 | ||||
| 234 | F | 39.2 | Very low | 42.3 | Very low | 187 Ų | 187 | 136 Ų | 136 | 82% | 0.82 | 79% | 0.793 | S | S | * | * | trans | -142.8 | 113.1 | 155.6 | -113.9 | -86.3 | 0 | 0 | 0 | 109.4 | G232 | G232-F234 PolarHBondContact O-N 2.83Š| ||
| 235 | S | 36.4 | Very low | 42.3 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -89.6 | 133.4 | 174.6 | -164.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 236 | F | 37.3 | Very low | 42.2 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -112.7 | 136.6 | 171.6 | -89.2 | -84 | 0 | 0 | 0 | 110.3 | ||||
| 237 | P | 47.4 | Very low | 42 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 140.1 | -177.1 | 33 | -31.9 | 0 | 0 | 0 | 112.4 | ||
| 238 | M | 48.5 | Very low | 41.4 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 132.7 | 173.5 | 176.7 | -177.4 | 151.6 | 0 | 0 | 109.9 | ||
| 239 | P | 49.2 | Very low | 40.8 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 126.4 | 173.3 | 31.2 | -28.8 | 0 | 0 | 0 | 111.4 | ||
| 240 | S | 43.1 | Very low | 40.8 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 134.6 | 163 | -55.3 | 0 | 0 | 0 | 0 | 110 | ||
| 241 | I | 45 | Very low | 40.7 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -124.3 | 108.9 | 161.6 | 50.5 | 170.6 | 0 | 0 | 0 | 109.5 | ||||
| 242 | L | 39.8 | Very low | 40.7 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -79.9 | 127.8 | 158.7 | -97.2 | 124.7 | 0 | 0 | 0 | 107.8 | ||||
| 243 | S | 35.8 | Very low | 41.4 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -153.2 | 108.8 | 146.8 | -167.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 244 | G | 39.1 | Very low | 41.2 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | -77.6 | 146.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 245 | V | 39.5 | Very low | 41.4 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -140.1 | 115.9 | 142.3 | -72 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 246 | A | 35.6 | Very low | 41.6 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | -74 | 123.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 247 | T | 40.6 | Very low | 42 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 76% | 0.761 | 81% | 0.808 | S | S | * | * | trans | -117.4 | 112.8 | 164.8 | -33.7 | 0 | 0 | 0 | 0 | 108.3 | I249 | T247-I249 PolarHBondContact O-N 2.82Š| ||
| 248 | R | 41.9 | Very low | 41.4 | Very low | 243 Ų | 243 | 133 Ų | 133 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | -58.2 | 115.1 | 174.4 | -62.1 | -99 | -163.4 | 169.5 | 3.7 | 108.7 | S250 | R248-S250 PolarHBondContact O-N 2.89Š| ||
| 249 | I | 38.1 | Very low | 41.1 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | trans | -89.4 | 101.8 | 166.2 | -49.3 | 176.5 | 0 | 0 | 0 | 106.5 | T247 | T247-I249 PolarHBondContact O-N 2.82Š| ||
| 250 | S | 39.4 | Very low | 40.9 | Very low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | -62.9 | 132.5 | 171.2 | -178.9 | 0 | 0 | 0 | 0 | 110 | R248 | R248-S250 PolarHBondContact O-N 2.89Š| ||
| 251 | S | 39.3 | Very low | 41.2 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 69% | 0.692 | 82% | 0.82 | S | S | * | * | trans | -56.7 | 129.6 | 159 | 47 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 252 | N | 38.9 | Very low | 41.1 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | trans | -165 | 132.3 | 140.5 | -98.4 | -8.9 | 0 | 0 | 0 | 110.6 | ||||
| 253 | P | 49.5 | Very low | 41.4 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -85.9 | 128.5 | 172.5 | 33.6 | -28.7 | 0 | 0 | 0 | 109.5 | ||||
| 254 | L | 40.6 | Very low | 41.9 | Very low | 165 Ų | 165 | 127.5 Ų | 127.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -116.6 | 108.5 | 168.4 | -72.1 | 174.9 | 0 | 0 | 0 | 109.3 | ||||
| 255 | S | 44 | Very low | 42.1 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -55.5 | 128.2 | 157.3 | -73.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 256 | M | 40.4 | Very low | 42.2 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -132.7 | 101.2 | 155.6 | -98.4 | -75.8 | 139.3 | 0 | 0 | 107.6 | G258 | M256-G258 PolarHBondContact O-N 2.72Š| ||
| 257 | A | 45.2 | Very low | 42.5 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -60.9 | 123.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 258 | G | 36.5 | Very low | 42.6 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -142.7 | 91.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | M256 L260 | M256-G258 PolarHBondContact O-N 2.72Å; G258-L260 PolarHBondContact O-N 2.85Å | ||
| 259 | S | 40.5 | Very low | 42.7 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -68.6 | 118.1 | 170.1 | -171.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 260 | L | 45.5 | Very low | 43.1 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | trans | -125 | 90.1 | 158.5 | -72.8 | 177.4 | 0 | 0 | 0 | 107.5 | G258 G262 | G258-L260 PolarHBondContact O-N 2.85Å; L260-G262 PolarHBondContact O-N 2.96Å; L260-G262 VanDerWaalsContact O-N 3.13Å | ||
| 261 | A | 50.2 | Low | 43.3 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 88% | 0.876 | 77% | 0.768 | S | S | * | * | trans | -62.2 | 105.2 | 159 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 262 | G | 42.3 | Very low | 43.7 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | trans | -159.5 | 80.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L260 | L260-G262 PolarHBondContact O-N 2.96Å; L260-G262 VanDerWaalsContact O-N 3.13Å | ||
| 263 | N | 46.5 | Very low | 43.8 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | trans | 37.5 | 80.4 | 155.5 | -155.6 | 4.7 | 0 | 0 | 0 | 118.5 | H265 | N263-H265 PolarHBondContact O-N 3.39Å; N263-H265 PolarHBondContact OD1-N 3.03Å | ||
| 264 | L | 45.2 | Very low | 43.5 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 5.9 | 170.5 | -161.8 | 71.1 | 0 | 0 | 0 | 113.4 | ||
| 265 | H | 43.4 | Very low | 43.6 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 75% | 0.745 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -15.3 | -170.9 | -154.6 | -145.4 | 0 | 0 | 0 | 114.2 | N263 | N263-H265 PolarHBondContact O-N 3.39Å; N263-H265 PolarHBondContact OD1-N 3.03Å |
| 266 | E | 43.1 | Very low | 43.8 | Very low | 145 Ų | 145 | 128.5 Ų | 128.5 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -93.8 | -14.7 | -171.7 | -153.2 | 161.1 | 140.9 | 0 | 0 | 114.7 | ||
| 267 | L | 40.5 | Very low | 43.8 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -87.7 | -14.5 | 178.3 | -69.5 | 166.9 | 0 | 0 | 0 | 113.7 | ||
| 268 | S | 43.8 | Very low | 43.9 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 47% | 0.469 | 76% | 0.758 | S | S | . | * | S | Bend | trans | -74.4 | -30.8 | 179.4 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | R270 | S268-R270 PolarHBondContact O-N 2.98Š|
| 269 | A | 43.8 | Very low | 44.1 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 65% | 0.645 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -21.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 270 | R | 45.5 | Very low | 43.9 | Very low | 230 Ų | 230 | 138.3 Ų | 138.3 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -12.4 | -178.3 | -70.8 | -72.5 | -165.9 | 140.5 | 3.7 | 114.1 | S268 | S268-R270 PolarHBondContact O-N 2.98Š|
| 271 | Y | 44.8 | Very low | 43.8 | Very low | 212 Ų | 212 | 135.5 Ų | 135.5 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | -6.9 | -174.7 | -118.7 | -92 | 0 | 0 | 0 | 115 | ||
| 272 | L | 46.9 | Very low | 43.5 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -93.4 | -0.5 | 179 | -73.6 | 168.3 | 0 | 0 | 0 | 114.5 | ||
| 273 | S | 41.5 | Very low | 43.6 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -102 | 40.1 | 177.2 | -168.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 274 | S | 42.8 | Very low | 43.1 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -102.2 | 82.2 | 157.4 | -87 | 0 | 0 | 0 | 0 | 108.7 | A276 | S274-A276 PolarHBondContact O-N 2.81Š| ||
| 275 | S | 43.9 | Very low | 42.6 | Very low | 97 Ų | 97 | 142 Ų | 142 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | -60.2 | 120.1 | 164.2 | 173.5 | 0 | 0 | 0 | 0 | 108.5 | F277 | S275-F277 PolarHBondContact O-N 3.03Š| ||
| 276 | A | 48.4 | Very low | 42.7 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -73.2 | 34.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S274 | S274-A276 PolarHBondContact O-N 2.81Š|
| 277 | F | 38.8 | Very low | 42.6 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -140 | 69.1 | -178.4 | -135.3 | -91.8 | 0 | 0 | 0 | 110 | S275 P279 | S275-F277 PolarHBondContact O-N 3.03Å; F277-P279 WeakPolarHBondContact O-CD 3.3Å | ||
| 278 | E | 47.4 | Very low | 42.7 | Very low | 175 Ų | 175 | 143.2 Ų | 143.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -78.4 | 116.8 | 158.8 | -84.1 | 170.8 | 130.8 | 0 | 0 | 108.1 | Y280 | E278-Y280 PolarHBondContact O-N 2.88Š| ||
| 279 | P | 41.3 | Very low | 42.7 | Very low | 99 Ų | 99 | 148 Ų | 148 | 64% | 0.643 | 79% | 0.79 | S | S | * | * | trans | -70.7 | 115.9 | 170.9 | 29.4 | -28.9 | 0 | 0 | 0 | 107.1 | F277 S281 | F277-P279 WeakPolarHBondContact O-CD 3.3Å; P279-S281 PolarHBondContact O-N 2.81Å | ||
| 280 | Y | 36.3 | Very low | 42.9 | Very low | 224 Ų | 224 | 150.7 Ų | 150.7 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -53.3 | 103.4 | 169.2 | -82 | -89.5 | 0 | 0 | 0 | 109.4 | E278 R282 | E278-Y280 PolarHBondContact O-N 2.88Å; Y280-R282 PolarHBondContact O-N 2.98Å | ||
| 281 | S | 43.5 | Very low | 43 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | -72.8 | 84 | 162 | -58 | 0 | 0 | 0 | 0 | 106.6 | P279 T283 | P279-S281 PolarHBondContact O-N 2.81Å; S281-T283 PolarHBondContact O-N 3.32Å; S281-T283 VanDerWaalsContact O-N 3.08Å | ||
| 282 | R | 43.3 | Very low | 42.9 | Very low | 225 Ų | 225 | 148.1 Ų | 148.1 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | trans | -70.3 | 101 | 174.2 | -135.5 | -175.2 | -162 | -159.4 | 4.2 | 107.2 | Y280 N284 | Y280-R282 PolarHBondContact O-N 2.98Å; R282-N284 PolarHBondContact O-N 2.88Å | ||
| 283 | T | 43.9 | Very low | 42.5 | Very low | 134 Ų | 134 | 147.4 Ų | 147.4 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -65.4 | 121.4 | 165.6 | 48.7 | 0 | 0 | 0 | 0 | 107.9 | S281 G285 | S281-T283 PolarHBondContact O-N 3.32Å; S281-T283 VanDerWaalsContact O-N 3.08Å; T283-G285 PolarHBondContact O-N 3.49Å; T283-G285 VanDerWaalsContact O-N 3.12Å | ||
| 284 | N | 37.2 | Very low | 43 | Very low | 145 Ų | 145 | 150.6 Ų | 150.6 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -73.4 | 97.8 | -179.9 | -120 | 8.8 | 0 | 0 | 0 | 108.9 | R282 K286 | R282-N284 PolarHBondContact O-N 2.88Å; N284-K286 PolarHBondContact O-N 3.13Å | ||
| 285 | G | 34.9 | Very low | 42.7 | Very low | 80 Ų | 80 | 157.5 Ų | 157.5 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -81.1 | 97.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | T283 E287 | T283-G285 PolarHBondContact O-N 3.49Å; T283-G285 VanDerWaalsContact O-N 3.12Å; G285-E287 PolarHBondContact O-N 2.89Å | ||
| 286 | K | 45.6 | Very low | 42.7 | Very low | 188 Ų | 188 | 160.6 Ų | 160.6 | 82% | 0.817 | 83% | 0.83 | S | S | * | * | trans | -73.9 | 113.2 | 165.6 | -74.6 | 174.2 | 175 | 162.5 | 0 | 108.2 | N284 | N284-K286 PolarHBondContact O-N 3.13Š| ||
| 287 | E | 40.1 | Very low | 42.4 | Very low | 195 Ų | 195 | 163.6 Ų | 163.6 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | trans | -124.6 | 113.7 | 148.1 | -87.3 | -164.2 | 94.4 | 0 | 0 | 108.9 | G285 | G285-E287 PolarHBondContact O-N 2.89Š| ||
| 288 | S | 43 | Very low | 42.6 | Very low | 96 Ų | 96 | 162.8 Ų | 162.8 | 67% | 0.671 | 83% | 0.832 | S | S | * | * | trans | -69.2 | 124.9 | 169.8 | -156.1 | 0 | 0 | 0 | 0 | 108 | D290 | S288-D290 PolarHBondContact OG-OD2 3.2Š| ||
| 289 | M | 43.6 | Very low | 42.3 | Very low | 167 Ų | 167 | 162.1 Ų | 162.1 | 82% | 0.823 | 83% | 0.833 | S | S | * | * | trans | -121 | 88.1 | 156.7 | -93.8 | -173 | 100.1 | 0 | 0 | 108.4 | K291 | M289-K291 PolarHBondContact O-N 3.46Š| ||
| 290 | D | 47.4 | Very low | 42.4 | Very low | 134 Ų | 134 | 166.1 Ų | 166.1 | 72% | 0.717 | 85% | 0.845 | S | S | * | * | trans | -59.2 | 121.2 | 152.9 | -65 | -81.4 | 0 | 0 | 0 | 109.1 | S288 | S288-D290 PolarHBondContact OG-OD2 3.2Š| ||
| 291 | K | 48.4 | Very low | 42.8 | Very low | 183 Ų | 183 | 162.2 Ų | 162.2 | 80% | 0.796 | 84% | 0.842 | S | S | * | * | trans | -149.3 | 84.1 | 155 | -108.2 | 173.7 | -171.7 | -175.2 | 0 | 110.7 | M289 | M289-K291 PolarHBondContact O-N 3.46Š| ||
| 292 | K | 41.8 | Very low | 42.7 | Very low | 206 Ų | 206 | 165.6 Ų | 165.6 | 90% | 0.896 | 85% | 0.846 | S | S | * | * | trans | 33.7 | 104 | 130.9 | -124.1 | 173 | -175.9 | 177.2 | 0 | 117.2 | ||||
| 293 | T | 40.1 | Very low | 42.7 | Very low | 132 Ų | 132 | 161.1 Ų | 161.1 | 81% | 0.81 | 85% | 0.845 | S | S | * | * | trans | -49.5 | 131.6 | 150.7 | -38.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 294 | L | 50.8 | Low | 42.6 | Very low | 175 Ų | 175 | 163.3 Ų | 163.3 | 92% | 0.916 | 85% | 0.847 | S | S | * | * | trans | -132.7 | 93.3 | 156.6 | -163.1 | 104.8 | 0 | 0 | 0 | 106.9 | ||||
| 295 | E | 37.8 | Very low | 43.1 | Very low | 259 Ų | 259 | 165 Ų | 165 | 100% | 1.21 | 85% | 0.854 | S | S | * | * | trans | -159.2 | 0 | 140.8 | -106.4 | -148.9 | 122.5 | 0 | 0 | 107.8 |
Retrieved 295 of 295 residues in 1166.3 ms
(Link to these results)