| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.7 | Very low | 46.5 | Very low | 234 Ų | 234 | 146.1 Ų | 146.1 | 100% | 1.153 | 82% | 0.823 | S | S | * | * | 0 | 129 | 0 | -65.8 | 170.9 | 178.4 | 0 | 0 | 107.3 | |||||
| 2 | F | 38.3 | Very low | 46.2 | Very low | 217 Ų | 217 | 147.2 Ų | 147.2 | 95% | 0.952 | 82% | 0.816 | S | S | * | * | trans | -129.1 | 127.1 | 176 | -72.8 | -78.3 | 0 | 0 | 0 | 108.7 | ||||
| 3 | I | 49.3 | Very low | 46.3 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 82% | 0.821 | 81% | 0.809 | S | S | * | * | trans | -109.1 | 114.6 | 175 | -63.9 | 174.8 | 0 | 0 | 0 | 106.8 | ||||
| 4 | A | 50.3 | Low | 46.3 | Very low | 88 Ų | 88 | 146.4 Ų | 146.4 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -80.1 | 120.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I6 | A4-I6 PolarHBondContact O-N 2.69Š| ||
| 5 | L | 55.9 | Low | 46.1 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | trans | -75.1 | 109.4 | 165.7 | -96.4 | 77.9 | 0 | 0 | 0 | 109.2 | F7 | L5-F7 PolarHBondContact O-N 2.88Š| ||
| 6 | I | 56.2 | Low | 46 | Very low | 150 Ų | 150 | 149.5 Ų | 149.5 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -83.1 | 101 | 168.4 | -61.8 | 176.1 | 0 | 0 | 0 | 107.9 | A4 V8 | A4-I6 PolarHBondContact O-N 2.69Å; I6-V8 HydrophobicContact CG2-CG2 4.26Å; I6-V8 PolarHBondContact O-N 2.85Å | ||
| 7 | F | 45.3 | Very low | 46 | Very low | 187 Ų | 187 | 148.6 Ų | 148.6 | 82% | 0.82 | 81% | 0.805 | S | S | * | * | trans | -78.7 | 103.6 | 173.8 | -176.7 | -96.7 | 0 | 0 | 0 | 110.1 | L5 S9 | L5-F7 PolarHBondContact O-N 2.88Å; F7-S9 PolarHBondContact O-N 2.66Å | ||
| 8 | V | 46 | Very low | 45.9 | Very low | 124 Ų | 124 | 151.3 Ų | 151.3 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -79.3 | 107.7 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | I6 G10 | I6-V8 HydrophobicContact CG2-CG2 4.26Å; I6-V8 PolarHBondContact O-N 2.85Å; V8-G10 PolarHBondContact O-N 3.3Å | ||
| 9 | S | 43.4 | Very low | 45.8 | Very low | 100 Ų | 100 | 150.3 Ų | 150.3 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 120.1 | 178.6 | -169.4 | 0 | 0 | 0 | 0 | 111.7 | F7 | F7-S9 PolarHBondContact O-N 2.66Š|
| 10 | G | 39.1 | Very low | 46.1 | Very low | 67 Ų | 67 | 152.5 Ų | 152.5 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 137.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V8 | V8-G10 PolarHBondContact O-N 3.3Š|
| 11 | S | 44.9 | Very low | 46 | Very low | 114 Ų | 114 | 154.3 Ų | 154.3 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 122.5 | -173.5 | 47 | 0 | 0 | 0 | 0 | 113.9 | ||
| 12 | E | 42.8 | Very low | 46.3 | Very low | 159 Ų | 159 | 153 Ų | 153 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 126.6 | 174.2 | -61.6 | -174.6 | 146.2 | 0 | 0 | 112.5 | K14 | E12-K14 WeakPolarHBondContact OE2-CE 3.48Å; E12-K14 IonicContact OE2-NZ 3.93Å |
| 13 | T | 47.3 | Very low | 46.5 | Very low | 118 Ų | 118 | 152.1 Ų | 152.1 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | trans | -94.9 | 101.4 | 176.9 | 44.5 | 0 | 0 | 0 | 0 | 112 | N15 | T13-N15 PolarHBondContact O-N 3.3Š| ||
| 14 | K | 47.2 | Very low | 46.2 | Very low | 165 Ų | 165 | 153.6 Ų | 153.6 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | trans | -79.6 | 83.8 | -173 | -63 | -177.2 | -179 | -178.3 | 0 | 112.7 | E12 K16 | E12-K14 WeakPolarHBondContact OE2-CE 3.48Å; E12-K14 IonicContact OE2-NZ 3.93Å; K14-K16 PolarHBondContact O-N 3.33Å | ||
| 15 | N | 42.3 | Very low | 45.8 | Very low | 148 Ų | 148 | 160.6 Ų | 160.6 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -69.6 | 105.3 | 178.2 | -76.8 | -44.5 | 0 | 0 | 0 | 112.8 | T13 | T13-N15 PolarHBondContact O-N 3.3Š| ||
| 16 | K | 45.5 | Very low | 45.2 | Very low | 195 Ų | 195 | 160.6 Ų | 160.6 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | -84.5 | 108.8 | 178.5 | -65 | -179.8 | -179.7 | 179 | 0 | 111.8 | K14 K18 | K14-K16 PolarHBondContact O-N 3.33Å; K16-K18 PolarHBondContact O-N 3.3Å | ||
| 17 | V | 46.1 | Very low | 44.1 | Very low | 134 Ų | 134 | 160 Ų | 160 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -78.9 | 116.3 | 170.5 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 18 | K | 44.1 | Very low | 43.3 | Very low | 198 Ų | 198 | 156.4 Ų | 156.4 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -87.4 | 109.3 | 172.8 | -72.8 | -178.2 | 176.5 | 178 | 0 | 110.5 | K16 | K16-K18 PolarHBondContact O-N 3.3Š| ||
| 19 | T | 43.7 | Very low | 42.9 | Very low | 132 Ų | 132 | 154.8 Ų | 154.8 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -81.1 | 125.9 | 169.1 | 44.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 20 | Q | 51.7 | Low | 42.8 | Very low | 194 Ų | 194 | 156.4 Ų | 156.4 | 91% | 0.907 | 76% | 0.764 | S | S | * | * | trans | -99 | 135.8 | 166.7 | -71.5 | -161.7 | 8.7 | 0 | 0 | 110.4 | ||||
| 21 | K | 44.1 | Very low | 42.8 | Very low | 190 Ų | 190 | 160.3 Ų | 160.3 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -113.8 | 128 | -166.2 | -172.5 | 174.1 | -172.6 | 168.7 | 0 | 110.7 | ||||
| 22 | K | 48.2 | Very low | 42.5 | Very low | 207 Ų | 207 | 163.7 Ų | 163.7 | 90% | 0.9 | 77% | 0.768 | S | S | * | * | trans | -130.8 | 131.6 | 165.8 | -72.5 | -170.1 | 174.7 | -177.7 | 0 | 110.6 | ||||
| 23 | K | 44.1 | Very low | 42.2 | Very low | 198 Ų | 198 | 163.3 Ų | 163.3 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -77.7 | -177.3 | 176.5 | -60.3 | 176.7 | 169.8 | 177.7 | 0 | 110.2 | ||||
| 24 | K | 42.4 | Very low | 41.4 | Very low | 192 Ų | 192 | 165.8 Ų | 165.8 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | cis | -176.3 | 146.4 | 27.9 | 175.8 | -171.1 | -179.1 | -175.5 | 0 | 107 | ||||
| 25 | R | 40.9 | Very low | 41.2 | Very low | 234 Ų | 234 | 165.5 Ų | 165.5 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | cis | -96.8 | -143.1 | -11.7 | -67.9 | 176.9 | 152.6 | 153.1 | -10.3 | 108.5 | ||||
| 26 | K | 43.1 | Very low | 40.7 | Very low | 166 Ų | 166 | 166.6 Ų | 166.6 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | cis | -149.8 | 128.6 | -6.7 | -172.2 | -107.1 | 175.8 | -157.3 | 0 | 112 | C28 | K26-C28 PolarHBondContact NZ-SG 3.37Š| ||
| 27 | R | 34.2 | Very low | 40.5 | Very low | 138 Ų | 138 | 161.9 Ų | 161.9 | 52% | 0.521 | 78% | 0.776 | S | S | . | * | trans | -62.8 | 134.4 | 169.6 | 161.1 | -175 | -128.7 | -116.2 | 2.1 | 115.1 | E29 E30 | R27-E29 WeakPolarHBondContact CD-OE1 3.31Å; R27-E29 HydrophobicContact CG-CG 4.15Å; R27-E29 WeakPolarHBondContact CG-OE1 3.23Å; R27-E29 IonicContact CZ-OE1 3.01Å; R27-E29 IonicContact CZ-OE2 3.83Å; R27-E29 IonicContact NE-OE1 3.86Å; R27-E29 PolarHBondContact NE-OE1 3.02Å; R27-E29 IonicContact NE-OE2 2.75Å; R27-E29 PolarHBondContact NE-OE2 3.19Å; R27-E29 IonicContact NH2-OE2 3.69Å; R27-E29 PolarHBondContact NH2-OE2 3.46Å; R27-E30 IonicContact CZ-OE1 2.74Å; R27-E30 IonicContact CZ-OE2 3.07Å; R27-E30 IonicContact NH1-OE1 2.68Å; R27-E30 PolarHBondContact NH1-OE1 2.9Å; R27-E30 IonicContact NH1-OE2 2.88Å; R27-E30 VanDerWaalsContact NH2-CD 3.33Å; R27-E30 IonicContact NH2-OE1 3.15Å; R27-E30 PolarHBondContact NH2-OE1 3.11Å; R27-E30 IonicContact NH2-OE2 2.69Å | ||
| 28 | C | 27.9 | Very low | 40.1 | Very low | 112 Ų | 112 | 162 Ų | 162 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | -129.1 | 133.2 | 117 | -82.7 | 0 | 0 | 0 | 0 | 106.1 | K26 | K26-C28 PolarHBondContact NZ-SG 3.37Š| |||
| 29 | E | 39 | Very low | 39.9 | Very low | 90 Ų | 90 | 160.3 Ų | 160.3 | 42% | 0.421 | 77% | 0.769 | S | S | . | * | trans | -110 | -157.1 | 173.1 | -67.1 | 146 | -138.7 | 0 | 0 | 104 | R27 E31 | R27-E29 WeakPolarHBondContact CD-OE1 3.31Å; R27-E29 HydrophobicContact CG-CG 4.15Å; R27-E29 WeakPolarHBondContact CG-OE1 3.23Å; R27-E29 IonicContact CZ-OE1 3.01Å; R27-E29 IonicContact CZ-OE2 3.83Å; R27-E29 IonicContact NE-OE1 3.86Å; R27-E29 PolarHBondContact NE-OE1 3.02Å; R27-E29 IonicContact NE-OE2 2.75Å; R27-E29 PolarHBondContact NE-OE2 3.19Å; R27-E29 IonicContact NH2-OE2 3.69Å; R27-E29 PolarHBondContact NH2-OE2 3.46Å; E29-E31 VanDerWaalsContact CA-OE1 3.31Å; E29-E31 WeakPolarHBondContact CA-OE1 3.14Å; E29-E31 HydrophobicContact CB-CG 4.46Å; E29-E31 VanDerWaalsContact CB-OE1 3.23Å; E29-E31 WeakPolarHBondContact CB-OE1 3.35Å | ||
| 30 | E | 40.1 | Very low | 39.5 | Very low | 133 Ų | 133 | 161 Ų | 161 | 62% | 0.621 | 76% | 0.763 | S | S | * | * | cis | -149.5 | 120.7 | 9 | -81.6 | 95.3 | 140.6 | 0 | 0 | 108.8 | R27 | R27-E30 IonicContact CZ-OE1 2.74Å; R27-E30 IonicContact CZ-OE2 3.07Å; R27-E30 IonicContact NH1-OE1 2.68Å; R27-E30 PolarHBondContact NH1-OE1 2.9Å; R27-E30 IonicContact NH1-OE2 2.88Å; R27-E30 VanDerWaalsContact NH2-CD 3.33Å; R27-E30 IonicContact NH2-OE1 3.15Å; R27-E30 PolarHBondContact NH2-OE1 3.11Å; R27-E30 IonicContact NH2-OE2 2.69Å | ||
| 31 | E | 38.7 | Very low | 38.6 | Very low | 149 Ų | 149 | 157.7 Ų | 157.7 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | cis | -147 | -56.6 | -28.3 | -74.4 | -63.3 | 62.1 | 0 | 0 | 112.6 | E29 | E29-E31 VanDerWaalsContact CA-OE1 3.31Å; E29-E31 WeakPolarHBondContact CA-OE1 3.14Å; E29-E31 HydrophobicContact CB-CG 4.46Å; E29-E31 VanDerWaalsContact CB-OE1 3.23Å; E29-E31 WeakPolarHBondContact CB-OE1 3.35Å | ||
| 32 | E | 39.1 | Very low | 38.5 | Very low | 185 Ų | 185 | 155 Ų | 155 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -140.3 | -173.4 | -164.2 | -72.6 | -172.8 | 131.2 | 0 | 0 | 112 | ||||
| 33 | E | 36.8 | Very low | 38.2 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | cis | -162.8 | 166.6 | 28.4 | -159.6 | -142 | 150.1 | 0 | 0 | 113.4 | ||||
| 34 | K | 31.3 | Very low | 37.8 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | trans | 95.5 | 147.9 | 143.3 | -144.5 | 160.7 | -168.6 | 155.9 | 0 | 121.5 | ||||
| 35 | L | 42 | Very low | 37.6 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | -107.3 | 148.5 | -178.6 | -60.7 | 164.5 | 0 | 0 | 0 | 110.5 | ||||
| 36 | D | 32.3 | Very low | 38 | Very low | 171 Ų | 171 | 141 Ų | 141 | 91% | 0.914 | 73% | 0.733 | S | S | * | * | trans | -155.1 | 160 | 150.8 | -103.3 | -46 | 0 | 0 | 0 | 110.7 | ||||
| 37 | A | 41.1 | Very low | 37.9 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | trans | -131 | 105.6 | -163.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 38 | V | 37.3 | Very low | 38.5 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -144.5 | 117.6 | 167.9 | -164.4 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 39 | K | 40.9 | Very low | 39.2 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | 77.6 | 131.6 | 53.1 | -166.7 | 172.9 | 176.5 | -82.1 | 0 | 111.3 | |||||
| 40 | E | 34.7 | Very low | 39.2 | Very low | 146 Ų | 146 | 144.9 Ų | 144.9 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | 64.6 | 149.1 | -180 | -71.9 | 144 | -130.6 | 0 | 0 | 115.9 | ||||
| 41 | T | 32.1 | Very low | 39.1 | Very low | 124 Ų | 124 | 143.3 Ų | 143.3 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | cis | -153.9 | 148.6 | -20.4 | 8.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 42 | C | 42.7 | Very low | 39 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 91% | 0.912 | 78% | 0.776 | S | S | * | * | trans | -86.1 | 122.8 | 165.8 | -60.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 43 | S | 42.4 | Very low | 38.8 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | -162.6 | 169.5 | 170.5 | -170.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 44 | N | 35.3 | Very low | 38.8 | Very low | 123 Ų | 123 | 143 Ų | 143 | 66% | 0.658 | 77% | 0.77 | S | S | * | * | trans | 79 | 126.6 | 167.6 | -62.9 | 60.4 | 0 | 0 | 0 | 116.8 | ||||
| 45 | D | 37.5 | Very low | 39.2 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | cis | -148.4 | 150.1 | -9.9 | -90 | -41.3 | 0 | 0 | 0 | 111.7 | ||||
| 46 | E | 50.1 | Low | 39.2 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | -119 | 120.4 | 160 | -71.6 | -88.4 | 162.4 | 0 | 0 | 106.6 | ||||
| 47 | D | 41.2 | Very low | 39.5 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 60% | 0.599 | 75% | 0.753 | S | S | * | * | trans | -133.3 | 121.6 | 163.4 | -167.2 | -4.5 | 0 | 0 | 0 | 108.5 | R49 | D47-R49 IonicContact OD1-CZ 2.85Å; D47-R49 IonicContact OD1-NE 3.91Å; D47-R49 PolarHBondContact OD1-NE 3.02Å; D47-R49 IonicContact OD1-NH2 3.91Å; D47-R49 IonicContact OD2-CZ 3.11Å; D47-R49 IonicContact OD2-NE 3.83Å; D47-R49 IonicContact OD2-NH2 3.95Å; D47-R49 PolarHBondContact OD2-NH2 3.2Å | ||
| 48 | S | 45.4 | Very low | 39.2 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | -125.5 | 104.3 | 179.9 | -69.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 49 | R | 44 | Very low | 39.1 | Very low | 204 Ų | 204 | 141 Ų | 141 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | trans | -143.9 | 130.1 | 174.9 | -78.2 | -176.9 | -80.1 | 167.4 | -1.5 | 112.3 | D47 | D47-R49 IonicContact OD1-CZ 2.85Å; D47-R49 IonicContact OD1-NE 3.91Å; D47-R49 PolarHBondContact OD1-NE 3.02Å; D47-R49 IonicContact OD1-NH2 3.91Å; D47-R49 IonicContact OD2-CZ 3.11Å; D47-R49 IonicContact OD2-NE 3.83Å; D47-R49 IonicContact OD2-NH2 3.95Å; D47-R49 PolarHBondContact OD2-NH2 3.2Å | ||
| 50 | D | 38.7 | Very low | 39.3 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | trans | -86 | 151.3 | -178.1 | -50.4 | -87.6 | 0 | 0 | 0 | 113.6 | ||||
| 51 | A | 38.6 | Very low | 39.4 | Very low | 101 Ų | 101 | 141.5 Ų | 141.5 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -160.7 | 140.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 52 | E | 36.3 | Very low | 40 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -118.9 | 173.4 | 177.3 | -63.5 | -155.9 | 80.7 | 0 | 0 | 111.1 | ||||
| 53 | I | 35.3 | Very low | 40 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 57% | 0.569 | 75% | 0.753 | S | S | * | * | cis | -148.4 | 150 | 10.5 | -161 | 165.3 | 0 | 0 | 0 | 111.9 | ||||
| 54 | Q | 36.1 | Very low | 40.3 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -169.8 | 135 | 138.1 | -107.3 | 148.6 | 106.6 | 0 | 0 | 113 | ||||
| 55 | Q | 39.7 | Very low | 41 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | trans | -86.1 | 168.5 | 172 | -60.9 | -177.5 | -20 | 0 | 0 | 111 | N57 | Q55-N57 PolarHBondContact OE1-ND2 3.02Å; Q55-N57 PolarHBondContact OE1-OD1 3.04Å | ||
| 56 | P | 40.7 | Very low | 41.6 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | -129.5 | 160.1 | 92 | 37.7 | -31.4 | 0 | 0 | 0 | 114.3 | |||||
| 57 | N | 39.1 | Very low | 42 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | trans | -85.7 | 145.1 | -176.2 | -64.4 | -81.7 | 0 | 0 | 0 | 113.1 | Q55 | Q55-N57 PolarHBondContact OE1-ND2 3.02Å; Q55-N57 PolarHBondContact OE1-OD1 3.04Å | ||
| 58 | T | 35.3 | Very low | 42.7 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | -150 | 140.4 | 146.4 | -2.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 59 | E | 35.3 | Very low | 43.7 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -40.1 | 146.7 | -165.5 | -68.1 | 173.3 | 98 | 0 | 0 | 120.7 | K61 | E59-K61 PolarHBondContact O-N 3.32Š| ||
| 60 | L | 45.9 | Very low | 45.1 | Very low | 150 Ų | 150 | 147.8 Ų | 147.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -53.7 | 124.3 | 153.9 | -73.3 | 160.4 | 0 | 0 | 0 | 112.2 | ||||
| 61 | K | 35.3 | Very low | 46.9 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | trans | -136.9 | 85.2 | 146.3 | -70.9 | -165.9 | 178.8 | 167.2 | 0 | 111.6 | E59 S63 | E59-K61 PolarHBondContact O-N 3.32Å; K61-S63 PolarHBondContact O-N 2.96Å; K61-S63 VanDerWaalsContact O-N 3.13Å | ||
| 62 | E | 44.3 | Very low | 48.9 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | trans | -55.8 | 115 | 160.1 | -64 | -172 | 153 | 0 | 0 | 109.2 | ||||
| 63 | S | 43.8 | Very low | 51 | Low | 93 Ų | 93 | 145.5 Ų | 145.5 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | trans | -124.9 | 107.1 | 168.9 | 50 | 0 | 0 | 0 | 0 | 108.4 | K61 V65 | K61-S63 PolarHBondContact O-N 2.96Å; K61-S63 VanDerWaalsContact O-N 3.13Å; S63-V65 PolarHBondContact O-N 3.5Å | ||
| 64 | N | 49.1 | Very low | 53.4 | Low | 160 Ų | 160 | 146 Ų | 146 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -73.3 | 70.2 | 178.1 | -164.9 | -78.7 | 0 | 0 | 0 | 109.9 | K66 | N64-K66 VanDerWaalsContact C-N 3.25Å; N64-K66 PolarHBondContact O-N 3Å | ||
| 65 | V | 48.8 | Very low | 55.7 | Low | 107 Ų | 107 | 142.7 Ų | 142.7 | 65% | 0.648 | 75% | 0.751 | S | S | * | * | trans | -76.2 | 85.1 | 174.4 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | S63 L67 | S63-V65 PolarHBondContact O-N 3.5Å; V65-L67 VanDerWaalsContact C-N 3.26Å; V65-L67 HydrophobicContact CG1-CD1 4.4Å; V65-L67 PolarHBondContact O-N 3.19Å | ||
| 66 | K | 49.8 | Very low | 57.7 | Low | 168 Ų | 168 | 145 Ų | 145 | 73% | 0.73 | 76% | 0.759 | S | S | * | * | trans | -58.4 | 90.1 | 168.6 | -179.3 | 177.4 | -179.5 | 174.6 | 0 | 108.9 | N64 Q68 | N64-K66 VanDerWaalsContact C-N 3.25Å; N64-K66 PolarHBondContact O-N 3Å; K66-Q68 PolarHBondContact O-N 3.49Å | ||
| 67 | L | 58.4 | Low | 59.8 | Low | 137 Ų | 137 | 145.1 Ų | 145.1 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | -61.3 | 100.5 | -178.5 | -144.3 | 85.7 | 0 | 0 | 0 | 108.6 | V65 N69 | V65-L67 VanDerWaalsContact C-N 3.26Å; V65-L67 HydrophobicContact CG1-CD1 4.4Å; V65-L67 PolarHBondContact O-N 3.19Å; L67-N69 PolarHBondContact O-N 3.04Å; L67-N69 VanDerWaalsContact O-N 3.15Å | ||
| 68 | Q | 57.6 | Low | 62 | Low | 166 Ų | 166 | 141.9 Ų | 141.9 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | trans | -72.9 | 109.9 | 172.6 | -65.4 | -161.8 | 15.2 | 0 | 0 | 107.1 | K66 K70 | K66-Q68 PolarHBondContact O-N 3.49Å; Q68-K70 PolarHBondContact O-N 2.94Å | ||
| 69 | N | 66.5 | Low | 64.1 | Low | 138 Ų | 138 | 140.8 Ų | 140.8 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | -64.7 | 81.2 | 178.3 | -72.5 | -11.6 | 0 | 0 | 0 | 110.2 | L67 V71 | L67-N69 PolarHBondContact O-N 3.04Å; L67-N69 VanDerWaalsContact O-N 3.15Å; N69-V71 VanDerWaalsContact C-N 3.3Å; N69-V71 PolarHBondContact O-N 3.25Å | ||
| 70 | K | 72 | Confident | 66.1 | Low | 191 Ų | 191 | 144.3 Ų | 144.3 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | trans | -74.6 | 82.6 | 179.1 | -171.1 | -171.7 | 177.8 | -166.4 | 0 | 109 | Q68 E72 | Q68-K70 PolarHBondContact O-N 2.94Å; K70-E72 PolarHBondContact O-N 3.2Å; K70-E72 VanDerWaalsContact O-N 3.12Å | ||
| 71 | V | 76.7 | Confident | 67.5 | Low | 122 Ų | 122 | 144.1 Ų | 144.1 | 74% | 0.739 | 73% | 0.725 | S | S | * | * | trans | -65 | 109.4 | 178.6 | -178.6 | 0 | 0 | 0 | 0 | 109.7 | N69 V73 | N69-V71 VanDerWaalsContact C-N 3.3Å; N69-V71 PolarHBondContact O-N 3.25Å; V71-V73 HydrophobicContact CG1-CG2 4.14Å | ||
| 72 | E | 80.4 | Confident | 69.1 | Low | 161 Ų | 161 | 145.8 Ų | 145.8 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | -88 | 109.5 | 173.5 | -171.3 | 166.6 | 171 | 0 | 0 | 110.3 | K70 V74 | K70-E72 PolarHBondContact O-N 3.2Å; K70-E72 VanDerWaalsContact O-N 3.12Å; E72-V74 HydrophobicContact CG-CG2 4.2Å; E72-V74 PolarHBondContact O-N 3.12Å; E72-V74 VanDerWaalsContact O-N 3.07Å | ||
| 73 | V | 81.8 | Confident | 70 | Confident | 116 Ų | 116 | 141.9 Ų | 141.9 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | trans | -86.3 | 77.6 | -176.7 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | V71 T75 | V71-V73 HydrophobicContact CG1-CG2 4.14Å; V73-T75 HydrophobicContact CG1-CG2 4.13Å; V73-T75 PolarHBondContact O-N 3.32Å | ||
| 74 | V | 84.9 | Confident | 70.6 | Confident | 123 Ų | 123 | 146.9 Ų | 146.9 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | trans | -66.7 | 114.5 | 171.8 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | E72 | E72-V74 HydrophobicContact CG-CG2 4.2Å; E72-V74 PolarHBondContact O-N 3.12Å; E72-V74 VanDerWaalsContact O-N 3.07Å | ||
| 75 | T | 85.1 | Confident | 70.7 | Confident | 119 Ų | 119 | 144.2 Ų | 144.2 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | trans | -102.1 | 116.7 | 176.1 | 57.3 | 0 | 0 | 0 | 0 | 110.7 | V73 Q77 | V73-T75 HydrophobicContact CG1-CG2 4.13Å; V73-T75 PolarHBondContact O-N 3.32Å; T75-Q77 PolarHBondContact O-N 3Å | ||
| 76 | F | 80.9 | Confident | 70.7 | Confident | 181 Ų | 181 | 147.3 Ų | 147.3 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | trans | -80.7 | 119.3 | 176.4 | -176.6 | -97.9 | 0 | 0 | 0 | 110.8 | D78 | F76-D78 HydrophobicContact CE1-CB 4.33Š| ||
| 77 | Q | 84.5 | Confident | 70.5 | Confident | 133 Ų | 133 | 147.5 Ų | 147.5 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | trans | -95.4 | 102.5 | 176.4 | -170.7 | 168.3 | 94.9 | 0 | 0 | 110.1 | T75 P79 I83 | T75-Q77 PolarHBondContact O-N 3Å; Q77-P79 WeakPolarHBondContact O-CD 3.37Å; Q77-I83 VanDerWaalsContact OE1-CD1 3.27Å | ||
| 78 | D | 85.4 | Confident | 69.2 | Low | 56 Ų | 56 | 149.3 Ų | 149.3 | 30% | 0.299 | 73% | 0.727 | S | S | . | * | trans | -58.1 | 116.8 | 177.3 | 168.5 | 3.1 | 0 | 0 | 0 | 110.7 | F76 R80 K81 | F76-D78 HydrophobicContact CE1-CB 4.33Å; D78-R80 PolarHBondContact O-N 3.03Å; D78-R80 WeakPolarHBondContact OD1-CB 3.45Å; D78-R80 PolarHBondContact OD1-N 2.7Å; D78-K81 HydrophobicContact CB-CG 3.7Å; D78-K81 WeakPolarHBondContact O-CB 3.39Å; D78-K81 PolarHBondContact O-N 2.66Å; D78-K81 WeakPolarHBondContact OD2-CE 3.44Å; D78-K81 WeakPolarHBondContact OD2-CG 3.37Å | ||
| 79 | P | 80.4 | Confident | 68.4 | Low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -10.9 | -173.5 | 27.6 | -35.8 | 0 | 0 | 0 | 113.7 | Q77 | Q77-P79 WeakPolarHBondContact O-CD 3.37Š|
| 80 | R | 76.9 | Confident | 67.2 | Low | 234 Ų | 234 | 146.3 Ų | 146.3 | 88% | 0.883 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -8.4 | 174 | -58.1 | -173.9 | 179.5 | -146.9 | -1 | 112.8 | D78 | D78-R80 PolarHBondContact O-N 3.03Å; D78-R80 WeakPolarHBondContact OD1-CB 3.45Å; D78-R80 PolarHBondContact OD1-N 2.7Å |
| 81 | K | 75.2 | Confident | 66.1 | Low | 145 Ų | 145 | 141.2 Ų | 141.2 | 63% | 0.63 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -93.7 | 108.8 | 176.9 | -54 | -73.9 | 175.1 | 167.6 | 0 | 109.6 | D78 I83 | D78-K81 HydrophobicContact CB-CG 3.7Å; D78-K81 WeakPolarHBondContact O-CB 3.39Å; D78-K81 PolarHBondContact O-N 2.66Å; D78-K81 WeakPolarHBondContact OD2-CE 3.44Å; D78-K81 WeakPolarHBondContact OD2-CG 3.37Å; K81-I83 PolarHBondContact O-N 2.99Å; K81-I83 VanDerWaalsContact O-N 3.15Å |
| 82 | K | 69.5 | Low | 64.4 | Low | 205 Ų | 205 | 141.4 Ų | 141.4 | 89% | 0.891 | 72% | 0.717 | S | S | * | * | trans | -60 | 121.9 | 169.1 | -71.1 | -159.9 | 175.6 | -169.2 | 0 | 109.8 | K84 | K82-K84 PolarHBondContact O-N 3.4Å; K82-K84 VanDerWaalsContact O-N 3.12Å | ||
| 83 | I | 61.8 | Low | 62.5 | Low | 105 Ų | 105 | 143.8 Ų | 143.8 | 54% | 0.538 | 72% | 0.719 | S | S | . | * | trans | -57.3 | 115.8 | 178.9 | -54.1 | 172.4 | 0 | 0 | 0 | 108.3 | Q77 K81 T85 | Q77-I83 VanDerWaalsContact OE1-CD1 3.27Å; K81-I83 PolarHBondContact O-N 2.99Å; K81-I83 VanDerWaalsContact O-N 3.15Å; I83-T85 VanDerWaalsContact C-N 3.27Å; I83-T85 PolarHBondContact O-N 2.95Å | ||
| 84 | K | 56.3 | Low | 61 | Low | 198 Ų | 198 | 145.7 Ų | 145.7 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | -78.7 | 84.5 | 167.8 | -74.9 | -168.5 | 176.4 | -175.3 | 0 | 108.1 | K82 K86 | K82-K84 PolarHBondContact O-N 3.4Å; K82-K84 VanDerWaalsContact O-N 3.12Å; K84-K86 PolarHBondContact O-N 3.07Å | ||
| 85 | T | 51.9 | Low | 59 | Low | 104 Ų | 104 | 144.3 Ų | 144.3 | 64% | 0.638 | 72% | 0.717 | S | S | * | * | trans | -66 | 75.8 | 178.4 | -47.4 | 0 | 0 | 0 | 0 | 111.1 | I83 Q87 | I83-T85 VanDerWaalsContact C-N 3.27Å; I83-T85 PolarHBondContact O-N 2.95Å; T85-Q87 VanDerWaalsContact C-N 3.3Å; T85-Q87 HydrophobicContact CG2-CG 4Å; T85-Q87 PolarHBondContact O-N 3.29Å; T85-Q87 VanDerWaalsContact O-N 3.09Å | ||
| 86 | K | 47.9 | Very low | 57.3 | Low | 172 Ų | 172 | 145.3 Ų | 145.3 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | -67.2 | 98.7 | 151.2 | -75.3 | -167.3 | 173.6 | -169.8 | 0 | 106.1 | K84 F88 | K84-K86 PolarHBondContact O-N 3.07Å; K86-F88 HydrophobicContact CB-CD2 4.43Å; K86-F88 HydrophobicContact CB-CE2 4.16Å; K86-F88 PolarHBondContact O-N 3.07Å | ||
| 87 | Q | 45.8 | Very low | 55.7 | Low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | trans | -60.3 | 103.4 | 165.8 | -67.3 | -178 | -11.8 | 0 | 0 | 107.5 | T85 P89 | T85-Q87 VanDerWaalsContact C-N 3.3Å; T85-Q87 HydrophobicContact CG2-CG 4Å; T85-Q87 PolarHBondContact O-N 3.29Å; T85-Q87 VanDerWaalsContact O-N 3.09Å; Q87-P89 VanDerWaalsContact O-CD 3.27Å; Q87-P89 WeakPolarHBondContact O-CD 3.37Å | ||
| 88 | F | 32.6 | Very low | 54.1 | Low | 175 Ų | 175 | 140.7 Ų | 140.7 | 77% | 0.768 | 71% | 0.708 | S | S | * | * | trans | -83.4 | 103.5 | 153.7 | -73.3 | -79.9 | 0 | 0 | 0 | 105.2 | K86 V90 | K86-F88 HydrophobicContact CB-CD2 4.43Å; K86-F88 HydrophobicContact CB-CE2 4.16Å; K86-F88 PolarHBondContact O-N 3.07Å; F88-V90 PolarHBondContact O-N 2.92Å | ||
| 89 | P | 38.8 | Very low | 52.6 | Low | 106 Ų | 106 | 142.5 Ų | 142.5 | 69% | 0.688 | 72% | 0.723 | S | S | * | * | trans | -63 | 135.4 | -177.6 | 26.2 | -34.1 | 0 | 0 | 0 | 109.4 | Q87 S91 | Q87-P89 VanDerWaalsContact O-CD 3.27Å; Q87-P89 WeakPolarHBondContact O-CD 3.37Å; P89-S91 VanDerWaalsContact C-N 3.25Å; P89-S91 PolarHBondContact O-N 3.38Å | ||
| 90 | V | 42.8 | Very low | 51.3 | Low | 134 Ų | 134 | 144.1 Ų | 144.1 | 81% | 0.812 | 72% | 0.72 | S | S | * | * | trans | -66.5 | 90.9 | 169.5 | 177.6 | 0 | 0 | 0 | 0 | 107.5 | F88 T92 | F88-V90 PolarHBondContact O-N 2.92Å; V90-T92 PolarHBondContact O-N 3.39Å | ||
| 91 | S | 47.5 | Very low | 50 | Low | 85 Ų | 85 | 138.2 Ų | 138.2 | 59% | 0.594 | 71% | 0.706 | S | S | * | * | trans | -77.5 | 77 | 175.5 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | P89 R93 | P89-S91 VanDerWaalsContact C-N 3.25Å; P89-S91 PolarHBondContact O-N 3.38Å; S91-R93 PolarHBondContact O-N 3.04Å | ||
| 92 | T | 41.7 | Very low | 49.1 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 77% | 0.773 | 69% | 0.686 | S | S | * | * | trans | -67.2 | 74.9 | 162.2 | -53.2 | 0 | 0 | 0 | 0 | 108.9 | V90 | V90-T92 PolarHBondContact O-N 3.39Š| ||
| 93 | R | 40.9 | Very low | 48.6 | Very low | 210 Ų | 210 | 130.4 Ų | 130.4 | 79% | 0.792 | 67% | 0.672 | S | S | * | * | trans | -135.7 | 108.7 | 169.4 | -67.1 | -171.3 | -179.9 | -159.1 | 0.2 | 106.2 | S91 P95 | S91-R93 PolarHBondContact O-N 3.04Å; R93-P95 WeakPolarHBondContact O-CD 3.18Å | ||
| 94 | I | 50 | Low | 48.5 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 81% | 0.805 | 67% | 0.674 | S | S | * | * | trans | -63.5 | 114.6 | 170.6 | -62.3 | 168.7 | 0 | 0 | 0 | 106.5 | V96 | I94-V96 PolarHBondContact O-N 3.03Š| ||
| 95 | P | 42 | Very low | 48.6 | Very low | 93 Ų | 93 | 124.1 Ų | 124.1 | 60% | 0.604 | 65% | 0.652 | S | S | * | * | trans | -75.9 | 112.8 | 169.4 | 31.1 | -27.7 | 0 | 0 | 0 | 106.8 | R93 K97 | R93-P95 WeakPolarHBondContact O-CD 3.18Å; P95-K97 PolarHBondContact O-N 3.12Å | ||
| 96 | V | 50.4 | Low | 49.3 | Very low | 141 Ų | 141 | 123.7 Ų | 123.7 | 86% | 0.855 | 64% | 0.642 | S | S | * | * | trans | -66.2 | 92.4 | 166.5 | 178.7 | 0 | 0 | 0 | 0 | 106.8 | I94 S98 | I94-V96 PolarHBondContact O-N 3.03Å; V96-S98 PolarHBondContact O-N 3.17Å | ||
| 97 | K | 46.9 | Very low | 50.1 | Low | 153 Ų | 153 | 121.6 Ų | 121.6 | 67% | 0.665 | 64% | 0.635 | S | S | * | * | trans | -69.9 | 120.9 | -179.3 | -69.5 | -177 | -179.7 | 178.8 | 0 | 109.3 | P95 | P95-K97 PolarHBondContact O-N 3.12Š| ||
| 98 | S | 51.1 | Low | 51.1 | Low | 63 Ų | 63 | 119.7 Ų | 119.7 | 44% | 0.441 | 62% | 0.624 | S | S | . | * | trans | -48.5 | 125.4 | 159.2 | 23.6 | 0 | 0 | 0 | 0 | 109.9 | V96 Q100 D101 | V96-S98 PolarHBondContact O-N 3.17Å; S98-Q100 PolarHBondContact O-N 2.87Å; S98-D101 WeakPolarHBondContact CB-OD2 3.44Å; S98-D101 PolarHBondContact O-N 2.99Å; S98-D101 PolarHBondContact OG-OD2 3.49Å | ||
| 99 | P | 53.8 | Low | 52.9 | Low | 95 Ų | 95 | 116.6 Ų | 116.6 | 62% | 0.617 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 16.7 | -177.1 | -25.8 | 36 | 0 | 0 | 0 | 117.2 | R103 | P99-R103 PolarHBondContact O-NE 3.12Š|
| 100 | Q | 54.4 | Low | 54.4 | Low | 154 Ų | 154 | 115.7 Ų | 115.7 | 72% | 0.72 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -37.2 | -178.2 | -63.1 | -169.1 | -5.1 | 0 | 0 | 112.4 | S98 | S98-Q100 PolarHBondContact O-N 2.87Š|
| 101 | D | 48.4 | Very low | 55.8 | Low | 110 Ų | 110 | 113.1 Ų | 113.1 | 59% | 0.588 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73.7 | -27.6 | -178.4 | -59.3 | -71.6 | 0 | 0 | 0 | 113.3 | S98 | S98-D101 WeakPolarHBondContact CB-OD2 3.44Å; S98-D101 PolarHBondContact O-N 2.99Å; S98-D101 PolarHBondContact OG-OD2 3.49Å |
| 102 | S | 56 | Low | 57.1 | Low | 30 Ų | 30 | 114.7 Ų | 114.7 | 21% | 0.21 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -65.7 | -40.4 | 178 | 80.9 | 0 | 0 | 0 | 0 | 111.7 | Q104 A105 E106 | S102-Q104 VanDerWaalsContact C-N 3.31Å; S102-Q104 PolarHBondContact O-N 3.22Å; S102-A105 WeakPolarHBondContact O-CA 3.36Å; S102-A105 WeakPolarHBondContact O-CB 3.47Å; S102-A105 PolarHBondContact O-N 3.33Å; S102-E106 WeakPolarHBondContact CB-OE1 3.3Å; S102-E106 VanDerWaalsContact O-CD 3.3Å; S102-E106 WeakPolarHBondContact O-CG 3.23Å; S102-E106 PolarHBondContact O-N 3.42Å; S102-E106 PolarHBondContact OG-OE1 2.95Å |
| 103 | R | 58.7 | Low | 58.7 | Low | 155 Ų | 155 | 114.9 Ų | 114.9 | 59% | 0.585 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -57.9 | -40.1 | -177.1 | -56.6 | -177.2 | -172.5 | -150.4 | -6 | 112.6 | P99 Q107 | P99-R103 PolarHBondContact O-NE 3.12Å; R103-Q107 VanDerWaalsContact O-CB 3.31Å; R103-Q107 WeakPolarHBondContact O-CB 3.41Å; R103-Q107 WeakPolarHBondContact O-CG 3.48Å; R103-Q107 PolarHBondContact O-N 2.98Å |
| 104 | Q | 59.9 | Low | 60.5 | Low | 124 Ų | 124 | 109.7 Ų | 109.7 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -74.2 | -25.8 | 177.3 | -66 | -165.4 | 20.8 | 0 | 0 | 113.4 | S102 K108 | S102-Q104 VanDerWaalsContact C-N 3.31Å; S102-Q104 PolarHBondContact O-N 3.22Å; Q104-K108 WeakPolarHBondContact O-CD 3.47Å; Q104-K108 VanDerWaalsContact O-CG 3.29Å; Q104-K108 WeakPolarHBondContact O-CG 3.25Å; Q104-K108 PolarHBondContact O-N 2.86Å |
| 105 | A | 60 | Low | 61.5 | Low | 48 Ų | 48 | 107.6 Ų | 107.6 | 40% | 0.397 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -76.2 | -45 | 174 | 0 | 0 | 0 | 0 | 0 | 110.8 | S102 K108 Q109 | S102-A105 WeakPolarHBondContact O-CA 3.36Å; S102-A105 WeakPolarHBondContact O-CB 3.47Å; S102-A105 PolarHBondContact O-N 3.33Å; A105-K108 PolarHBondContact O-N 3.22Å; A105-Q109 WeakPolarHBondContact O-CG 3.23Å; A105-Q109 PolarHBondContact O-N 3.37Å |
| 106 | E | 64.9 | Low | 63 | Low | 95 Ų | 95 | 109.2 Ų | 109.2 | 44% | 0.444 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 175.3 | -69.8 | 149.5 | -154.5 | 0 | 0 | 111 | S102 K108 Q109 I110 | S102-E106 WeakPolarHBondContact CB-OE1 3.3Å; S102-E106 VanDerWaalsContact O-CD 3.3Å; S102-E106 WeakPolarHBondContact O-CG 3.23Å; S102-E106 PolarHBondContact O-N 3.42Å; S102-E106 PolarHBondContact OG-OE1 2.95Å; E106-K108 VanDerWaalsContact C-N 3.27Å; E106-K108 PolarHBondContact O-N 2.87Å; E106-Q109 PolarHBondContact O-N 3.02Å; E106-I110 WeakPolarHBondContact O-CG1 3.48Å; E106-I110 PolarHBondContact O-N 3.27Å |
| 107 | Q | 64.8 | Low | 64.8 | Low | 127 Ų | 127 | 106.1 Ų | 106.1 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59 | -35.4 | 174.9 | -76.2 | 170.9 | -9.2 | 0 | 0 | 113.1 | R103 N111 | R103-Q107 VanDerWaalsContact O-CB 3.31Å; R103-Q107 WeakPolarHBondContact O-CB 3.41Å; R103-Q107 WeakPolarHBondContact O-CG 3.48Å; R103-Q107 PolarHBondContact O-N 2.98Å; Q107-N111 VanDerWaalsContact O-CB 3.26Å; Q107-N111 WeakPolarHBondContact O-CB 3.24Å; Q107-N111 PolarHBondContact O-N 2.76Å |
| 108 | K | 67.9 | Low | 66.9 | Low | 132 Ų | 132 | 104.9 Ų | 104.9 | 57% | 0.574 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -72.5 | -30.9 | 175.2 | -78.2 | 170.5 | -177.4 | 162.5 | 0 | 112.9 | Q104 A105 E106 Q112 | Q104-K108 WeakPolarHBondContact O-CD 3.47Å; Q104-K108 VanDerWaalsContact O-CG 3.29Å; Q104-K108 WeakPolarHBondContact O-CG 3.25Å; Q104-K108 PolarHBondContact O-N 2.86Å; A105-K108 PolarHBondContact O-N 3.22Å; E106-K108 VanDerWaalsContact C-N 3.27Å; E106-K108 PolarHBondContact O-N 2.87Å; K108-Q112 WeakPolarHBondContact O-CB 3.29Å; K108-Q112 WeakPolarHBondContact O-CG 3.48Å; K108-Q112 PolarHBondContact O-N 2.92Å; K108-Q112 VanDerWaalsContact O-N 3.16Å |
| 109 | Q | 69.9 | Low | 68.8 | Low | 110 Ų | 110 | 105.6 Ų | 105.6 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72 | -50.3 | 174.7 | -72.2 | 169.1 | -2.8 | 0 | 0 | 110.6 | A105 E106 N111 Q112 E113 | A105-Q109 WeakPolarHBondContact O-CG 3.23Å; A105-Q109 PolarHBondContact O-N 3.37Å; E106-Q109 PolarHBondContact O-N 3.02Å; Q109-N111 VanDerWaalsContact C-N 3.29Å; Q109-N111 PolarHBondContact O-N 3.16Å; Q109-Q112 WeakPolarHBondContact O-CA 3.46Å; Q109-Q112 WeakPolarHBondContact O-CB 3.23Å; Q109-Q112 PolarHBondContact O-N 3.37Å; Q109-E113 WeakPolarHBondContact O-CG 3.41Å; Q109-E113 PolarHBondContact O-N 2.89Å |
| 110 | I | 71.4 | Confident | 70.7 | Confident | 88 Ų | 88 | 107.7 Ų | 107.7 | 45% | 0.451 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -53.9 | -47.7 | 174.5 | -64.8 | 162.6 | 0 | 0 | 0 | 110.3 | E106 Q112 E113 E114 | E106-I110 WeakPolarHBondContact O-CG1 3.48Å; E106-I110 PolarHBondContact O-N 3.27Å; I110-Q112 VanDerWaalsContact C-N 3.3Å; I110-Q112 PolarHBondContact O-N 2.88Å; I110-E113 PolarHBondContact O-N 2.9Å; I110-E113 VanDerWaalsContact O-N 3.15Å; I110-E114 HydrophobicContact CG2-CG 4.33Å; I110-E114 WeakPolarHBondContact O-CB 3.41Å; I110-E114 VanDerWaalsContact O-CG 3.32Å; I110-E114 WeakPolarHBondContact O-CG 3.41Å; I110-E114 PolarHBondContact O-N 3.13Å |
| 111 | N | 70.4 | Confident | 72.6 | Confident | 79 Ų | 79 | 102.6 Ų | 102.6 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.6 | -25.9 | -179.8 | -162.5 | -103.6 | 0 | 0 | 0 | 113.8 | Q107 Q109 E114 Q115 | Q107-N111 VanDerWaalsContact O-CB 3.26Å; Q107-N111 WeakPolarHBondContact O-CB 3.24Å; Q107-N111 PolarHBondContact O-N 2.76Å; Q109-N111 VanDerWaalsContact C-N 3.29Å; Q109-N111 PolarHBondContact O-N 3.16Å; N111-E114 PolarHBondContact ND2-OE2 3.09Å; N111-E114 VanDerWaalsContact ND2-OE2 3.17Å; N111-Q115 WeakPolarHBondContact O-CB 3.4Å; N111-Q115 WeakPolarHBondContact O-CG 3.32Å; N111-Q115 PolarHBondContact O-N 3.03Å; N111-Q115 VanDerWaalsContact O-N 3.07Å; N111-Q115 PolarHBondContact O-NE2 3.4Å; N111-Q115 PolarHBondContact OD1-NE2 3.36Å |
| 112 | Q | 74.8 | Confident | 74.8 | Confident | 118 Ų | 118 | 104.6 Ų | 104.6 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.5 | -39.8 | 170.4 | -76.6 | 169.7 | 13.8 | 0 | 0 | 111.6 | K108 Q109 I110 Q115 L116 | K108-Q112 WeakPolarHBondContact O-CB 3.29Å; K108-Q112 WeakPolarHBondContact O-CG 3.48Å; K108-Q112 PolarHBondContact O-N 2.92Å; K108-Q112 VanDerWaalsContact O-N 3.16Å; Q109-Q112 WeakPolarHBondContact O-CA 3.46Å; Q109-Q112 WeakPolarHBondContact O-CB 3.23Å; Q109-Q112 PolarHBondContact O-N 3.37Å; I110-Q112 VanDerWaalsContact C-N 3.3Å; I110-Q112 PolarHBondContact O-N 2.88Å; Q112-Q115 PolarHBondContact O-N 3.16Å; Q112-L116 VanDerWaalsContact O-CG 3.29Å; Q112-L116 WeakPolarHBondContact O-CG 3.21Å; Q112-L116 PolarHBondContact O-N 2.73Å |
| 113 | E | 75.8 | Confident | 76.5 | Confident | 131 Ų | 131 | 105.4 Ų | 105.4 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67 | -39.3 | 175.7 | -69.8 | 172.1 | -164.4 | 0 | 0 | 111.7 | Q109 I110 L116 S117 | Q109-E113 WeakPolarHBondContact O-CG 3.41Å; Q109-E113 PolarHBondContact O-N 2.89Å; I110-E113 PolarHBondContact O-N 2.9Å; I110-E113 VanDerWaalsContact O-N 3.15Å; E113-L116 PolarHBondContact O-N 3.17Å; E113-S117 WeakPolarHBondContact O-CB 3.22Å; E113-S117 PolarHBondContact O-N 3.43Å |
| 114 | E | 78.3 | Confident | 78.2 | Confident | 100 Ų | 100 | 100 Ų | 100 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 169.6 | -73.1 | 171.6 | 165.8 | 0 | 0 | 111.9 | I110 N111 L116 S117 L118 | I110-E114 HydrophobicContact CG2-CG 4.33Å; I110-E114 WeakPolarHBondContact O-CB 3.41Å; I110-E114 VanDerWaalsContact O-CG 3.32Å; I110-E114 WeakPolarHBondContact O-CG 3.41Å; I110-E114 PolarHBondContact O-N 3.13Å; N111-E114 PolarHBondContact ND2-OE2 3.09Å; N111-E114 VanDerWaalsContact ND2-OE2 3.17Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 3.19Å; E114-S117 WeakPolarHBondContact O-CB 3.11Å; E114-S117 PolarHBondContact O-N 2.82Å; E114-L118 WeakPolarHBondContact O-CG 3.35Å; E114-L118 PolarHBondContact O-N 2.83Å |
| 115 | Q | 72.3 | Confident | 79.9 | Confident | 113 Ų | 113 | 99.1 Ų | 99.1 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.3 | -78.2 | 171.8 | 55.5 | 0 | 0 | 112.1 | N111 Q112 S117 L118 E119 | N111-Q115 WeakPolarHBondContact O-CB 3.4Å; N111-Q115 WeakPolarHBondContact O-CG 3.32Å; N111-Q115 PolarHBondContact O-N 3.03Å; N111-Q115 VanDerWaalsContact O-N 3.07Å; N111-Q115 PolarHBondContact O-NE2 3.4Å; N111-Q115 PolarHBondContact OD1-NE2 3.36Å; Q112-Q115 PolarHBondContact O-N 3.16Å; Q115-S117 VanDerWaalsContact C-N 3.34Å; Q115-L118 PolarHBondContact O-N 3.43Å; Q115-E119 WeakPolarHBondContact O-CB 3.42Å; Q115-E119 PolarHBondContact O-N 3.33Å |
| 116 | L | 72.8 | Confident | 81.6 | Confident | 128 Ų | 128 | 100 Ų | 100 | 67% | 0.67 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.8 | -36.3 | 174.8 | -71.1 | 170.2 | 0 | 0 | 0 | 111.9 | Q112 E113 E114 K120 | Q112-L116 VanDerWaalsContact O-CG 3.29Å; Q112-L116 WeakPolarHBondContact O-CG 3.21Å; Q112-L116 PolarHBondContact O-N 2.73Å; E113-L116 PolarHBondContact O-N 3.17Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 3.19Å; L116-K120 WeakPolarHBondContact O-CB 3.28Å; L116-K120 PolarHBondContact O-N 3.18Å |
| 117 | S | 88.4 | Confident | 83.1 | Confident | 76 Ų | 76 | 99.3 Ų | 99.3 | 53% | 0.531 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 174.1 | -169.2 | 0 | 0 | 0 | 0 | 111.9 | E113 E114 Q115 K120 A121 | E113-S117 WeakPolarHBondContact O-CB 3.22Å; E113-S117 PolarHBondContact O-N 3.43Å; E114-S117 WeakPolarHBondContact O-CB 3.11Å; E114-S117 PolarHBondContact O-N 2.82Å; Q115-S117 VanDerWaalsContact C-N 3.34Å; S117-K120 PolarHBondContact O-N 2.93Å; S117-A121 WeakPolarHBondContact O-CB 3.24Å; S117-A121 PolarHBondContact O-N 3.49Å |
| 118 | L | 92 | Very high | 84.5 | Confident | 126 Ų | 126 | 99.3 Ų | 99.3 | 66% | 0.66 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.5 | -41.9 | 177.5 | -70.2 | 174.3 | 0 | 0 | 0 | 112.6 | E114 Q115 A121 R122 | E114-L118 WeakPolarHBondContact O-CG 3.35Å; E114-L118 PolarHBondContact O-N 2.83Å; Q115-L118 PolarHBondContact O-N 3.43Å; L118-A121 PolarHBondContact O-N 3.24Å; L118-R122 WeakPolarHBondContact O-CB 3.43Å; L118-R122 PolarHBondContact O-N 2.85Å |
| 119 | E | 90 | Very high | 85.9 | Confident | 78 Ų | 78 | 95.3 Ų | 95.3 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 175.9 | -173 | 62.3 | -162 | 0 | 0 | 111.1 | Q115 R122 L123 | Q115-E119 WeakPolarHBondContact O-CB 3.42Å; Q115-E119 PolarHBondContact O-N 3.33Å; E119-R122 VanDerWaalsContact CD-NH1 3.29Å; E119-R122 WeakPolarHBondContact O-CB 3.33Å; E119-R122 PolarHBondContact O-N 3.24Å; E119-R122 IonicContact OE1-CZ 2.7Å; E119-R122 IonicContact OE1-NH1 3.56Å; E119-R122 PolarHBondContact OE1-NH1 2.96Å; E119-R122 WeakPolarHBondContact OE2-CD 3.4Å; E119-R122 IonicContact OE2-CZ 3.72Å; E119-R122 IonicContact OE2-NE 2.99Å; E119-R122 IonicContact OE2-NH1 3.58Å; E119-R122 PolarHBondContact OE2-NH1 3.31Å; E119-L123 WeakPolarHBondContact O-CG 3.47Å; E119-L123 PolarHBondContact O-N 3.21Å |
| 120 | K | 92.8 | Very high | 87.1 | Confident | 139 Ų | 139 | 90.5 Ų | 90.5 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59 | -50.1 | 170.1 | -179.7 | -173.4 | 172.4 | -169.6 | 0 | 111 | L116 S117 R122 L123 D124 | L116-K120 WeakPolarHBondContact O-CB 3.28Å; L116-K120 PolarHBondContact O-N 3.18Å; S117-K120 PolarHBondContact O-N 2.93Å; K120-R122 VanDerWaalsContact C-N 3.29Å; K120-R122 PolarHBondContact O-N 2.93Å; K120-L123 PolarHBondContact O-N 2.88Å; K120-L123 VanDerWaalsContact O-N 3.13Å; K120-D124 WeakPolarHBondContact O-CB 3.32Å; K120-D124 PolarHBondContact O-N 2.97Å |
| 121 | A | 94.8 | Very high | 88.3 | Confident | 47 Ų | 47 | 89.9 Ų | 89.9 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.7 | -40.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | S117 L118 D124 V125 | S117-A121 WeakPolarHBondContact O-CB 3.24Å; S117-A121 PolarHBondContact O-N 3.49Å; L118-A121 PolarHBondContact O-N 3.24Å; A121-D124 PolarHBondContact O-N 3.41Å; A121-V125 WeakPolarHBondContact O-CB 3.08Å; A121-V125 VanDerWaalsContact O-CG2 3.27Å; A121-V125 WeakPolarHBondContact O-CG2 3.5Å; A121-V125 PolarHBondContact O-N 2.88Å |
| 122 | R | 94.2 | Very high | 89.5 | Confident | 153 Ų | 153 | 89.5 Ų | 89.5 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 173.8 | -178.9 | -167.4 | 178.2 | -157.2 | -3.1 | 112.5 | L118 E119 K120 H126 | L118-R122 WeakPolarHBondContact O-CB 3.43Å; L118-R122 PolarHBondContact O-N 2.85Å; E119-R122 VanDerWaalsContact CD-NH1 3.29Å; E119-R122 WeakPolarHBondContact O-CB 3.33Å; E119-R122 PolarHBondContact O-N 3.24Å; E119-R122 IonicContact OE1-CZ 2.7Å; E119-R122 IonicContact OE1-NH1 3.56Å; E119-R122 PolarHBondContact OE1-NH1 2.96Å; E119-R122 WeakPolarHBondContact OE2-CD 3.4Å; E119-R122 IonicContact OE2-CZ 3.72Å; E119-R122 IonicContact OE2-NE 2.99Å; E119-R122 IonicContact OE2-NH1 3.58Å; E119-R122 PolarHBondContact OE2-NH1 3.31Å; K120-R122 VanDerWaalsContact C-N 3.29Å; K120-R122 PolarHBondContact O-N 2.93Å; R122-H126 WeakPolarHBondContact O-CB 3.41Å; R122-H126 PolarHBondContact O-N 2.9Å |
| 123 | L | 93 | Very high | 90.6 | Very high | 46 Ų | 46 | 89 Ų | 89 | 24% | 0.241 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -70.6 | -31.9 | 176.8 | -69 | 179.7 | 0 | 0 | 0 | 113 | E119 K120 R127 M148 L149 | E119-L123 WeakPolarHBondContact O-CG 3.47Å; E119-L123 PolarHBondContact O-N 3.21Å; K120-L123 PolarHBondContact O-N 2.88Å; K120-L123 VanDerWaalsContact O-N 3.13Å; L123-R127 PolarHBondContact O-N 2.87Å; L123-M148 HydrophobicContact CD2-CE 4.3Å; L123-L149 HydrophobicContact CD1-CD2 4.09Å; L123-L149 HydrophobicContact CD2-CD2 3.84Å |
| 124 | D | 94.1 | Very high | 91.6 | Very high | 43 Ų | 43 | 92.7 Ų | 92.7 | 23% | 0.23 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -69.1 | -49.5 | 172.9 | -76.5 | -32.5 | 0 | 0 | 0 | 110.8 | K120 A121 H126 R127 F128 | K120-D124 WeakPolarHBondContact O-CB 3.32Å; K120-D124 PolarHBondContact O-N 2.97Å; A121-D124 PolarHBondContact O-N 3.41Å; D124-H126 VanDerWaalsContact C-N 3.3Å; D124-H126 PolarHBondContact O-N 2.9Å; D124-R127 WeakPolarHBondContact O-CB 3.49Å; D124-R127 PolarHBondContact O-N 2.87Å; D124-R127 VanDerWaalsContact O-N 3.11Å; D124-R127 IonicContact OD1-CZ 2.9Å; D124-R127 IonicContact OD1-NH1 3.55Å; D124-R127 PolarHBondContact OD1-NH1 3.17Å; D124-R127 IonicContact OD1-NH2 2.66Å; D124-R127 PolarHBondContact OD1-NH2 3.26Å; D124-F128 HydrophobicContact CB-CD2 4.41Å; D124-F128 HydrophobicContact CB-CE2 4.18Å; D124-F128 WeakPolarHBondContact O-CD2 2.92Å; D124-F128 WeakPolarHBondContact O-CG 3.45Å; D124-F128 PolarHBondContact O-N 2.8Å |
| 125 | V | 95.7 | Very high | 92.5 | Very high | 104 Ų | 104 | 94.6 Ų | 94.6 | 63% | 0.63 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -56.5 | -43.7 | 172.9 | 166.1 | 0 | 0 | 0 | 0 | 111.1 | A121 R127 F128 G129 | A121-V125 WeakPolarHBondContact O-CB 3.08Å; A121-V125 VanDerWaalsContact O-CG2 3.27Å; A121-V125 WeakPolarHBondContact O-CG2 3.5Å; A121-V125 PolarHBondContact O-N 2.88Å; V125-R127 PolarHBondContact O-N 2.9Å; V125-F128 PolarHBondContact O-N 3.07Å; V125-G129 PolarHBondContact O-N 3.37Å |
| 126 | H | 95.3 | Very high | 93.6 | Very high | 67 Ų | 67 | 96.6 Ų | 96.6 | 31% | 0.31 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.2 | -34.7 | 177 | -177.9 | 59.5 | 0 | 0 | 0 | 112.9 | R122 D124 I130 R145 M148 | R122-H126 WeakPolarHBondContact O-CB 3.41Å; R122-H126 PolarHBondContact O-N 2.9Å; D124-H126 VanDerWaalsContact C-N 3.3Å; D124-H126 PolarHBondContact O-N 2.9Å; H126-I130 WeakPolarHBondContact O-CD1 3.44Å; H126-I130 VanDerWaalsContact O-CG1 3.28Å; H126-I130 WeakPolarHBondContact O-CG1 3.21Å; H126-R145 WeakPolarHBondContact NE2-CB 3.43Å; H126-M148 WeakPolarHBondContact CD2-CE 3.32Å; H126-M148 WeakPolarHBondContact NE2-CE 3.5Å |
| 127 | R | 95.6 | Very high | 94.7 | Very high | 81 Ų | 81 | 95.3 Ų | 95.3 | 31% | 0.306 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.1 | -52 | 169.8 | 178.5 | -173.2 | 60.8 | -110.3 | -13.6 | 110.9 | L123 D124 V125 G129 I130 T131 | L123-R127 PolarHBondContact O-N 2.87Å; D124-R127 WeakPolarHBondContact O-CB 3.49Å; D124-R127 PolarHBondContact O-N 2.87Å; D124-R127 VanDerWaalsContact O-N 3.11Å; D124-R127 IonicContact OD1-CZ 2.9Å; D124-R127 IonicContact OD1-NH1 3.55Å; D124-R127 PolarHBondContact OD1-NH1 3.17Å; D124-R127 IonicContact OD1-NH2 2.66Å; D124-R127 PolarHBondContact OD1-NH2 3.26Å; V125-R127 PolarHBondContact O-N 2.9Å; R127-G129 PolarHBondContact O-N 3.24Å; R127-I130 PolarHBondContact O-N 2.9Å; R127-I130 VanDerWaalsContact O-N 3.07Å; R127-T131 PolarHBondContact O-N 3.26Å |
| 128 | F | 95.9 | Very high | 95.2 | Very high | 126 Ų | 126 | 92.5 Ų | 92.5 | 55% | 0.553 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.6 | -37.4 | -174.2 | -67.5 | -52.6 | 0 | 0 | 0 | 112.7 | D124 V125 I130 T131 | D124-F128 HydrophobicContact CB-CD2 4.41Å; D124-F128 HydrophobicContact CB-CE2 4.18Å; D124-F128 WeakPolarHBondContact O-CD2 2.92Å; D124-F128 WeakPolarHBondContact O-CG 3.45Å; D124-F128 PolarHBondContact O-N 2.8Å; V125-F128 PolarHBondContact O-N 3.07Å; F128-I130 PolarHBondContact O-N 3.45Å; F128-T131 WeakPolarHBondContact CA-OG1 3.37Å; F128-T131 PolarHBondContact O-N 2.78Å; F128-T131 PolarHBondContact O-OG1 2.98Å |
| 129 | G | 96 | Very high | 95.4 | Very high | 49 Ų | 49 | 95 Ų | 95 | 51% | 0.505 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.9 | -25.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V125 R127 Y133 | V125-G129 PolarHBondContact O-N 3.37Å; R127-G129 PolarHBondContact O-N 3.24Å; G129-Y133 WeakPolarHBondContact O-CD2 3.33Å; G129-Y133 WeakPolarHBondContact O-CE2 3.43Å |
| 130 | I | 96.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 94.9 Ų | 94.9 | 5% | 0.046 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -84.1 | -35 | 176.2 | -66.7 | 168.4 | 0 | 0 | 0 | 111.8 | H126 R127 F128 G132 Y133 Q138 F141 E142 R145 | H126-I130 WeakPolarHBondContact O-CD1 3.44Å; H126-I130 VanDerWaalsContact O-CG1 3.28Å; H126-I130 WeakPolarHBondContact O-CG1 3.21Å; R127-I130 PolarHBondContact O-N 2.9Å; R127-I130 VanDerWaalsContact O-N 3.07Å; F128-I130 PolarHBondContact O-N 3.45Å; I130-G132 PolarHBondContact O-N 3.11Å; I130-G132 VanDerWaalsContact O-N 3.09Å; I130-Y133 PolarHBondContact O-N 2.83Å; I130-Q138 HydrophobicContact CG2-CG 4.05Å; I130-F141 HydrophobicContact CB-CB 4.4Å; I130-F141 HydrophobicContact CD1-CB 3.94Å; I130-F141 HydrophobicContact CG1-CB 3.81Å; I130-F141 HydrophobicContact CG2-CB 3.76Å; I130-E142 HydrophobicContact CG2-CG 3.75Å; I130-R145 HydrophobicContact CD1-CB 3.84Å; I130-R145 HydrophobicContact CD1-CG 4.41Å |
| 131 | T | 95.8 | Very high | 95.9 | Very high | 75 Ų | 75 | 92 Ų | 92 | 46% | 0.46 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.1 | -13.4 | -177.5 | 45.7 | 0 | 0 | 0 | 0 | 114.9 | R127 F128 | R127-T131 PolarHBondContact O-N 3.26Å; F128-T131 WeakPolarHBondContact CA-OG1 3.37Å; F128-T131 PolarHBondContact O-N 2.78Å; F128-T131 PolarHBondContact O-OG1 2.98Å |
| 132 | G | 95.6 | Very high | 96 | Very high | 71 Ų | 71 | 93.6 Ų | 93.6 | 73% | 0.732 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -8.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | I130 | I130-G132 PolarHBondContact O-N 3.11Å; I130-G132 VanDerWaalsContact O-N 3.09Å |
| 133 | Y | 96.9 | Very high | 96.1 | Very high | 108 Ų | 108 | 90.8 Ų | 90.8 | 42% | 0.424 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -85.2 | 157.6 | -177.5 | -73 | -82.2 | 0 | 0 | 0 | 113.6 | G129 I130 Q137 F141 | G129-Y133 WeakPolarHBondContact O-CD2 3.33Å; G129-Y133 WeakPolarHBondContact O-CE2 3.43Å; I130-Y133 PolarHBondContact O-N 2.83Å; Y133-Q137 HydrophobicContact CD1-CB 4.43Å; Y133-F141 HydrophobicContact CD1-CD2 4.5Å; Y133-F141 AromaticContact CD1-CE2 3.91Å; Y133-F141 HydrophobicContact CD1-CE2 3.91Å; Y133-F141 AromaticContact CD2-CD2 3.82Å; Y133-F141 HydrophobicContact CD2-CD2 3.82Å; Y133-F141 AromaticContact CD2-CE2 3.93Å; Y133-F141 HydrophobicContact CD2-CE2 3.93Å; Y133-F141 AromaticContact CE1-CE2 3.88Å; Y133-F141 HydrophobicContact CE1-CE2 3.88Å; Y133-F141 HydrophobicContact CE2-CD2 4.05Å; Y133-F141 AromaticContact CE2-CE2 3.9Å; Y133-F141 HydrophobicContact CE2-CE2 3.9Å; Y133-F141 HydrophobicContact CG-CD2 4.06Å; Y133-F141 AromaticContact CG-CE2 3.94Å; Y133-F141 HydrophobicContact CG-CE2 3.94Å; Y133-F141 AromaticContact CZ-CE2 3.88Å |
| 134 | R | 97.1 | Very high | 96.3 | Very high | 207 Ų | 207 | 92.8 Ų | 92.8 | 78% | 0.781 | 46% | 0.458 | S | S | * | . | trans | -59.6 | 146.7 | 168.9 | -67.3 | -175.3 | 179.2 | -177.4 | 0.2 | 110.4 | E136 Q137 Q138 | R134-E136 PolarHBondContact O-N 2.79Å; R134-Q137 PolarHBondContact O-N 3.15Å; R134-Q138 PolarHBondContact O-N 2.98Å | ||
| 135 | K | 97.4 | Very high | 96.4 | Very high | 140 Ų | 140 | 93.6 Ų | 93.6 | 61% | 0.609 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -54 | -32.6 | -167.8 | -66.3 | -69.4 | 164.1 | -159 | 0 | 115.4 | R139 | K135-R139 WeakPolarHBondContact O-CD 3.28Å; K135-R139 VanDerWaalsContact O-CG 3.24Å; K135-R139 WeakPolarHBondContact O-CG 3.32Å; K135-R139 PolarHBondContact O-N 2.98Å; K135-R139 VanDerWaalsContact O-N 3.17Å |
| 136 | E | 96.1 | Very high | 96.4 | Very high | 156 Ų | 156 | 90.4 Ų | 90.4 | 73% | 0.729 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.8 | -52.3 | 175.1 | -65.7 | 163.5 | -179.9 | 0 | 0 | 111.8 | R134 R139 | R134-E136 PolarHBondContact O-N 2.79Å; E136-R139 PolarHBondContact O-N 3.4Å |
| 137 | Q | 96 | Very high | 96.5 | Very high | 100 Ų | 100 | 89.8 Ų | 89.8 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | 178.4 | -65.9 | 173.7 | -6.4 | 0 | 0 | 111.3 | Y133 R134 R139 V140 F141 | Y133-Q137 HydrophobicContact CD1-CB 4.43Å; R134-Q137 PolarHBondContact O-N 3.15Å; Q137-R139 VanDerWaalsContact C-N 3.31Å; Q137-R139 PolarHBondContact O-N 2.8Å; Q137-V140 PolarHBondContact O-N 3.45Å; Q137-V140 VanDerWaalsContact O-N 3.16Å; Q137-F141 HydrophobicContact CB-CD2 4.42Å; Q137-F141 HydrophobicContact CB-CE2 4.13Å; Q137-F141 WeakPolarHBondContact O-CD2 3.3Å; Q137-F141 PolarHBondContact O-N 2.85Å |
| 138 | Q | 97.6 | Very high | 96.5 | Very high | 17 Ų | 17 | 91 Ų | 91 | 8% | 0.079 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -53.8 | -47.5 | 175.5 | -173.8 | -179.3 | -1.8 | 0 | 0 | 111 | I130 R134 V140 F141 E142 | I130-Q138 HydrophobicContact CG2-CG 4.05Å; R134-Q138 PolarHBondContact O-N 2.98Å; Q138-V140 VanDerWaalsContact C-N 3.34Å; Q138-V140 PolarHBondContact O-N 3.04Å; Q138-F141 PolarHBondContact O-N 2.72Å; Q138-E142 HydrophobicContact CG-CG 4.21Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.39Å; Q138-E142 PolarHBondContact NE2-OE1 3.11Å; Q138-E142 WeakPolarHBondContact O-CB 3.32Å; Q138-E142 VanDerWaalsContact O-CG 3.28Å; Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 2.88Å |
| 139 | R | 96.8 | Very high | 96.5 | Very high | 178 Ų | 178 | 89.2 Ų | 89.2 | 67% | 0.672 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.4 | -40.2 | 178.5 | -73.8 | 165.9 | -179 | -177.8 | 1.5 | 113.2 | K135 E136 Q137 Q143 | K135-R139 WeakPolarHBondContact O-CD 3.28Å; K135-R139 VanDerWaalsContact O-CG 3.24Å; K135-R139 WeakPolarHBondContact O-CG 3.32Å; K135-R139 PolarHBondContact O-N 2.98Å; K135-R139 VanDerWaalsContact O-N 3.17Å; E136-R139 PolarHBondContact O-N 3.4Å; Q137-R139 VanDerWaalsContact C-N 3.31Å; Q137-R139 PolarHBondContact O-N 2.8Å; R139-Q143 WeakPolarHBondContact O-CB 3.47Å; R139-Q143 PolarHBondContact O-N 3.5Å |
| 140 | V | 96.3 | Very high | 96.5 | Very high | 77 Ų | 77 | 90.1 Ų | 90.1 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.8 | -49.2 | 178.3 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | Q137 Q138 E142 Q143 D144 | Q137-V140 PolarHBondContact O-N 3.45Å; Q137-V140 VanDerWaalsContact O-N 3.16Å; Q138-V140 VanDerWaalsContact C-N 3.34Å; Q138-V140 PolarHBondContact O-N 3.04Å; V140-E142 VanDerWaalsContact C-N 3.35Å; V140-E142 PolarHBondContact O-N 3.48Å; V140-Q143 WeakPolarHBondContact O-CB 3.43Å; V140-Q143 PolarHBondContact O-N 2.95Å; V140-D144 PolarHBondContact O-N 3.15Å |
| 141 | F | 97.3 | Very high | 96.6 | Very high | 77 Ų | 77 | 91.9 Ų | 91.9 | 34% | 0.338 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.6 | -32.4 | 178.5 | -62.3 | -51.1 | 0 | 0 | 0 | 113.1 | I130 Y133 Q137 Q138 D144 R145 | I130-F141 HydrophobicContact CB-CB 4.4Å; I130-F141 HydrophobicContact CD1-CB 3.94Å; I130-F141 HydrophobicContact CG1-CB 3.81Å; I130-F141 HydrophobicContact CG2-CB 3.76Å; Y133-F141 HydrophobicContact CD1-CD2 4.5Å; Y133-F141 AromaticContact CD1-CE2 3.91Å; Y133-F141 HydrophobicContact CD1-CE2 3.91Å; Y133-F141 AromaticContact CD2-CD2 3.82Å; Y133-F141 HydrophobicContact CD2-CD2 3.82Å; Y133-F141 AromaticContact CD2-CE2 3.93Å; Y133-F141 HydrophobicContact CD2-CE2 3.93Å; Y133-F141 AromaticContact CE1-CE2 3.88Å; Y133-F141 HydrophobicContact CE1-CE2 3.88Å; Y133-F141 HydrophobicContact CE2-CD2 4.05Å; Y133-F141 AromaticContact CE2-CE2 3.9Å; Y133-F141 HydrophobicContact CE2-CE2 3.9Å; Y133-F141 HydrophobicContact CG-CD2 4.06Å; Y133-F141 AromaticContact CG-CE2 3.94Å; Y133-F141 HydrophobicContact CG-CE2 3.94Å; Y133-F141 AromaticContact CZ-CE2 3.88Å; Q137-F141 HydrophobicContact CB-CD2 4.42Å; Q137-F141 HydrophobicContact CB-CE2 4.13Å; Q137-F141 WeakPolarHBondContact O-CD2 3.3Å; Q137-F141 PolarHBondContact O-N 2.85Å; Q138-F141 PolarHBondContact O-N 2.72Å; F141-D144 PolarHBondContact O-N 2.86Å; F141-R145 VanDerWaalsContact O-CB 3.24Å; F141-R145 WeakPolarHBondContact O-CB 3.42Å; F141-R145 PolarHBondContact O-N 3.32Å |
| 142 | E | 96.4 | Very high | 96.7 | Very high | 82 Ų | 82 | 98.9 Ų | 98.9 | 38% | 0.383 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 172.1 | -76.4 | 175.2 | 168.6 | 0 | 0 | 112 | I130 Q138 V140 A146 | I130-E142 HydrophobicContact CG2-CG 3.75Å; Q138-E142 HydrophobicContact CG-CG 4.21Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.39Å; Q138-E142 PolarHBondContact NE2-OE1 3.11Å; Q138-E142 WeakPolarHBondContact O-CB 3.32Å; Q138-E142 VanDerWaalsContact O-CG 3.28Å; Q138-E142 WeakPolarHBondContact O-CG 3.43Å; Q138-E142 PolarHBondContact O-N 2.88Å; V140-E142 VanDerWaalsContact C-N 3.35Å; V140-E142 PolarHBondContact O-N 3.48Å; E142-A146 WeakPolarHBondContact O-CB 3.22Å; E142-A146 PolarHBondContact O-N 3.26Å |
| 143 | Q | 96.8 | Very high | 96.8 | Very high | 94 Ų | 94 | 99.1 Ų | 99.1 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 172.4 | 178 | 169.5 | 50.5 | 0 | 0 | 111.6 | R139 V140 A146 I147 | R139-Q143 WeakPolarHBondContact O-CB 3.47Å; R139-Q143 PolarHBondContact O-N 3.5Å; V140-Q143 WeakPolarHBondContact O-CB 3.43Å; V140-Q143 PolarHBondContact O-N 2.95Å; Q143-A146 WeakPolarHBondContact O-CB 3.47Å; Q143-A146 PolarHBondContact O-N 2.74Å; Q143-I147 HydrophobicContact CG-CD1 4.09Å; Q143-I147 WeakPolarHBondContact O-CG1 3.08Å; Q143-I147 PolarHBondContact O-N 3.03Å |
| 144 | D | 96.3 | Very high | 96.7 | Very high | 87 Ų | 87 | 97.6 Ų | 97.6 | 47% | 0.465 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.1 | -75.6 | -27.3 | 0 | 0 | 0 | 111.9 | V140 F141 A146 I147 M148 | V140-D144 PolarHBondContact O-N 3.15Å; F141-D144 PolarHBondContact O-N 2.86Å; D144-A146 PolarHBondContact O-N 2.68Å; D144-I147 PolarHBondContact O-N 2.82Å; D144-M148 WeakPolarHBondContact O-CB 3.43Å; D144-M148 PolarHBondContact O-N 3.38Å |
| 145 | R | 96.6 | Very high | 96.7 | Very high | 60 Ų | 60 | 96.9 Ų | 96.9 | 23% | 0.226 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -59.6 | -44 | 172 | 174.7 | 169.4 | 176.8 | -77.2 | -4.9 | 111.7 | H126 I130 F141 I147 M148 L149 | H126-R145 WeakPolarHBondContact NE2-CB 3.43Å; I130-R145 HydrophobicContact CD1-CB 3.84Å; I130-R145 HydrophobicContact CD1-CG 4.41Å; F141-R145 VanDerWaalsContact O-CB 3.24Å; F141-R145 WeakPolarHBondContact O-CB 3.42Å; F141-R145 PolarHBondContact O-N 3.32Å; R145-I147 VanDerWaalsContact C-N 3.34Å; R145-M148 PolarHBondContact O-N 2.95Å; R145-L149 HydrophobicContact CG-CD1 4.07Å; R145-L149 WeakPolarHBondContact O-CB 3.34Å; R145-L149 WeakPolarHBondContact O-CG 3.32Å; R145-L149 PolarHBondContact O-N 2.92Å |
| 146 | A | 96.9 | Very high | 96.6 | Very high | 38 Ų | 38 | 99.9 Ų | 99.9 | 31% | 0.314 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E142 Q143 D144 L149 G150 A151 | E142-A146 WeakPolarHBondContact O-CB 3.22Å; E142-A146 PolarHBondContact O-N 3.26Å; Q143-A146 WeakPolarHBondContact O-CB 3.47Å; Q143-A146 PolarHBondContact O-N 2.74Å; D144-A146 PolarHBondContact O-N 2.68Å; A146-L149 CarbonylContact O-C 3.49Å; A146-L149 PolarHBondContact O-N 3.37Å; A146-G150 PolarHBondContact O-N 2.83Å; A146-A151 VanDerWaalsContact C-CB 3.49Å; A146-A151 HydrophobicContact CB-CB 3.94Å; A146-A151 WeakPolarHBondContact O-CB 3.22Å; A146-A151 PolarHBondContact O-N 2.93Å |
| 147 | I | 97.3 | Very high | 96.5 | Very high | 53 Ų | 53 | 100.9 Ų | 100.9 | 27% | 0.272 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 176.5 | -68.3 | 164.5 | 0 | 0 | 0 | 111.4 | Q143 D144 R145 L149 G150 P153 | Q143-I147 HydrophobicContact CG-CD1 4.09Å; Q143-I147 WeakPolarHBondContact O-CG1 3.08Å; Q143-I147 PolarHBondContact O-N 3.03Å; D144-I147 PolarHBondContact O-N 2.82Å; R145-I147 VanDerWaalsContact C-N 3.34Å; I147-L149 VanDerWaalsContact C-N 3.28Å; I147-L149 PolarHBondContact O-N 3.13Å; I147-G150 WeakPolarHBondContact O-CA 3.39Å; I147-G150 PolarHBondContact O-N 2.82Å; I147-P153 HydrophobicContact CD1-CB 4.16Å; I147-P153 HydrophobicContact CD1-CG 4.46Å; I147-P153 HydrophobicContact CG1-CB 4.45Å; I147-P153 HydrophobicContact CG1-CG 4.35Å; I147-P153 HydrophobicContact CG2-CG 3.97Å |
| 148 | M | 94.9 | Very high | 96.5 | Very high | 108 Ų | 108 | 106 Ų | 106 | 53% | 0.532 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 174.7 | -173.4 | -177.7 | 69.4 | 0 | 0 | 112.1 | L123 H126 D144 R145 G150 | L123-M148 HydrophobicContact CD2-CE 4.3Å; H126-M148 WeakPolarHBondContact CD2-CE 3.32Å; H126-M148 WeakPolarHBondContact NE2-CE 3.5Å; D144-M148 WeakPolarHBondContact O-CB 3.43Å; D144-M148 PolarHBondContact O-N 3.38Å; R145-M148 PolarHBondContact O-N 2.95Å; M148-G150 PolarHBondContact O-N 3.44Å |
| 149 | L | 95.4 | Very high | 96.5 | Very high | 88 Ų | 88 | 107.9 Ų | 107.9 | 46% | 0.461 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 6.7 | 172.4 | -70 | 170 | 0 | 0 | 0 | 113.8 | L123 R145 A146 I147 | L123-L149 HydrophobicContact CD1-CD2 4.09Å; L123-L149 HydrophobicContact CD2-CD2 3.84Å; R145-L149 HydrophobicContact CG-CD1 4.07Å; R145-L149 WeakPolarHBondContact O-CB 3.34Å; R145-L149 WeakPolarHBondContact O-CG 3.32Å; R145-L149 PolarHBondContact O-N 2.92Å; A146-L149 CarbonylContact O-C 3.49Å; A146-L149 PolarHBondContact O-N 3.37Å; I147-L149 VanDerWaalsContact C-N 3.28Å; I147-L149 PolarHBondContact O-N 3.13Å |
| 150 | G | 96.9 | Very high | 96.6 | Very high | 67 Ų | 67 | 103.7 Ų | 103.7 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | 5.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A146 I147 M148 | A146-G150 PolarHBondContact O-N 2.83Å; I147-G150 WeakPolarHBondContact O-CA 3.39Å; I147-G150 PolarHBondContact O-N 2.82Å; M148-G150 PolarHBondContact O-N 3.44Å |
| 151 | A | 98.1 | Very high | 96.6 | Very high | 47 Ų | 47 | 107.6 Ų | 107.6 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 149.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A146 P153 | A146-A151 VanDerWaalsContact C-CB 3.49Å; A146-A151 HydrophobicContact CB-CB 3.94Å; A146-A151 WeakPolarHBondContact O-CB 3.22Å; A146-A151 PolarHBondContact O-N 2.93Å; A151-P153 WeakPolarHBondContact O-CD 3.39Å |
| 152 | R | 97.6 | Very high | 96.6 | Very high | 221 Ų | 221 | 111 Ų | 111 | 83% | 0.834 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 126.3 | -179 | -174.4 | 178.3 | -178.8 | 162.4 | 3.5 | 110.4 | ||
| 153 | P | 97.5 | Very high | 96.7 | Very high | 77 Ų | 77 | 110 Ų | 110 | 50% | 0.5 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 151.4 | 173.6 | -26.8 | 34.5 | 0 | 0 | 0 | 113.1 | I147 A151 | I147-P153 HydrophobicContact CD1-CB 4.16Å; I147-P153 HydrophobicContact CD1-CG 4.46Å; I147-P153 HydrophobicContact CG1-CB 4.45Å; I147-P153 HydrophobicContact CG1-CG 4.35Å; I147-P153 HydrophobicContact CG2-CG 3.97Å; A151-P153 WeakPolarHBondContact O-CD 3.39Å |
| 154 | P | 96.4 | Very high | 96.7 | Very high | 75 Ų | 75 | 108.6 Ų | 108.6 | 49% | 0.487 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 151.2 | 177.2 | 25 | -35.1 | 0 | 0 | 0 | 111.6 | ||
| 155 | K | 96.5 | Very high | 96.8 | Very high | 192 Ų | 192 | 108.1 Ų | 108.1 | 84% | 0.835 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 138.1 | 169.4 | -67.4 | 178 | -176.9 | 172 | 0 | 108.4 | ||
| 156 | K | 94.6 | Very high | 96.8 | Very high | 203 Ų | 203 | 110.4 Ų | 110.4 | 88% | 0.883 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 145.9 | 169 | -62.2 | -176.4 | 179.7 | -176.3 | 0 | 109.5 | ||
| 157 | E | 94.6 | Very high | 96.8 | Very high | 177 Ų | 177 | 111.8 Ų | 111.8 | 83% | 0.827 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 154.6 | 173 | -65.1 | 172.5 | 175.1 | 0 | 0 | 111.6 | ||
| 158 | Y | 96.1 | Very high | 96.8 | Very high | 208 Ų | 208 | 113.1 Ų | 113.1 | 82% | 0.816 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 125.9 | 173.3 | 175.8 | -94.6 | 0 | 0 | 0 | 110.1 | ||
| 159 | V | 97.2 | Very high | 96.9 | Very high | 57 Ų | 57 | 113.4 Ų | 113.4 | 35% | 0.345 | 55% | 0.553 | S | S | . | * | trans | -132 | 145.8 | 175.4 | -102.5 | 0 | 0 | 0 | 0 | 110.2 | L164 | V159-L164 HydrophobicContact CG2-CB 4.4Å; V159-L164 HydrophobicContact CG2-CD1 4.28Å | ||
| 160 | N | 98.1 | Very high | 96.9 | Very high | 89 Ų | 89 | 113.2 Ų | 113.2 | 48% | 0.476 | 55% | 0.55 | S | S | . | . | trans | -59.8 | 139.2 | 174.6 | -173.1 | -71.2 | 0 | 0 | 0 | 110.5 | K162 V163 L164 | N160-K162 VanDerWaalsContact C-N 3.27Å; N160-K162 PolarHBondContact O-N 3.3Å; N160-K162 PolarHBondContact OD1-N 2.59Å; N160-V163 HydrophobicContact CB-CG2 4.3Å; N160-V163 PolarHBondContact O-N 3.01Å; N160-L164 PolarHBondContact O-N 2.92Å | ||
| 161 | Y | 97.1 | Very high | 96.8 | Very high | 160 Ų | 160 | 115.9 Ų | 115.9 | 63% | 0.627 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -56.6 | -35 | -175.5 | -176.5 | -113.8 | 0 | 0 | 0 | 114.1 | L164 Q165 | Y161-L164 PolarHBondContact O-N 3.07Å; Y161-Q165 HydrophobicContact CE1-CG 4.22Å; Y161-Q165 HydrophobicContact CE2-CG 4.38Å; Y161-Q165 VanDerWaalsContact CZ-NE2 3.25Å; Y161-Q165 WeakPolarHBondContact O-CG 3.36Å; Y161-Q165 PolarHBondContact O-N 2.91Å; Y161-Q165 PolarHBondContact OH-NE2 3.43Å |
| 162 | K | 97.8 | Very high | 96.7 | Very high | 147 Ų | 147 | 119.8 Ų | 119.8 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.6 | -51.6 | 177.3 | -65.7 | -174.1 | 177 | -175.8 | 0 | 111.5 | N160 L164 Q165 E166 | N160-K162 VanDerWaalsContact C-N 3.27Å; N160-K162 PolarHBondContact O-N 3.3Å; N160-K162 PolarHBondContact OD1-N 2.59Å; K162-L164 VanDerWaalsContact C-N 3.28Å; K162-L164 PolarHBondContact O-N 3.49Å; K162-Q165 WeakPolarHBondContact O-CB 3.5Å; K162-Q165 PolarHBondContact O-N 3.12Å; K162-E166 PolarHBondContact O-N 3.12Å |
| 163 | V | 97.7 | Very high | 96.4 | Very high | 62 Ų | 62 | 114.7 Ų | 114.7 | 38% | 0.376 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 176.4 | -178.9 | 0 | 0 | 0 | 0 | 111 | N160 Q165 E166 Q167 | N160-V163 HydrophobicContact CB-CG2 4.3Å; N160-V163 PolarHBondContact O-N 3.01Å; V163-Q165 PolarHBondContact O-N 3.39Å; V163-E166 PolarHBondContact O-N 3.32Å; V163-Q167 HydrophobicContact CG1-CG 4.49Å; V163-Q167 WeakPolarHBondContact O-CG 3.41Å; V163-Q167 PolarHBondContact O-N 2.88Å |
| 164 | L | 97.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 116.5 Ų | 116.5 | 34% | 0.34 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 176.1 | -178.5 | 61 | 0 | 0 | 0 | 112.4 | V159 N160 Y161 K162 I168 | V159-L164 HydrophobicContact CG2-CB 4.4Å; V159-L164 HydrophobicContact CG2-CD1 4.28Å; N160-L164 PolarHBondContact O-N 2.92Å; Y161-L164 PolarHBondContact O-N 3.07Å; K162-L164 VanDerWaalsContact C-N 3.28Å; K162-L164 PolarHBondContact O-N 3.49Å; L164-I168 HydrophobicContact CD1-CD1 4.05Å; L164-I168 HydrophobicContact CD1-CG1 4.43Å; L164-I168 HydrophobicContact CG-CD1 4Å; L164-I168 WeakPolarHBondContact O-CB 3.3Å; L164-I168 WeakPolarHBondContact O-CD1 3.29Å; L164-I168 WeakPolarHBondContact O-CG1 3.44Å; L164-I168 PolarHBondContact O-N 3.12Å; L164-I168 VanDerWaalsContact O-N 3.12Å |
| 165 | Q | 97.9 | Very high | 95.8 | Very high | 76 Ų | 76 | 118.8 Ų | 118.8 | 36% | 0.355 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 172.8 | -75.6 | -170.2 | -6.6 | 0 | 0 | 112 | Y161 K162 V163 I168 K169 | Y161-Q165 HydrophobicContact CE1-CG 4.22Å; Y161-Q165 HydrophobicContact CE2-CG 4.38Å; Y161-Q165 VanDerWaalsContact CZ-NE2 3.25Å; Y161-Q165 WeakPolarHBondContact O-CG 3.36Å; Y161-Q165 PolarHBondContact O-N 2.91Å; Y161-Q165 PolarHBondContact OH-NE2 3.43Å; K162-Q165 WeakPolarHBondContact O-CB 3.5Å; K162-Q165 PolarHBondContact O-N 3.12Å; V163-Q165 PolarHBondContact O-N 3.39Å; Q165-I168 PolarHBondContact O-N 3.02Å; Q165-K169 WeakPolarHBondContact O-CG 3.27Å; Q165-K169 PolarHBondContact O-N 3.23Å |
| 166 | E | 97.7 | Very high | 95.2 | Very high | 108 Ų | 108 | 114.5 Ų | 114.5 | 51% | 0.505 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -49.9 | 179.1 | -74.7 | 148 | -162 | 0 | 0 | 111.5 | K162 V163 I168 K169 E170 | K162-E166 PolarHBondContact O-N 3.12Å; V163-E166 PolarHBondContact O-N 3.32Å; E166-I168 PolarHBondContact O-N 2.87Å; E166-K169 WeakPolarHBondContact O-CB 3.38Å; E166-K169 PolarHBondContact O-N 2.74Å; E166-E170 PolarHBondContact O-N 3.34Å |
| 167 | Q | 96.9 | Very high | 94.5 | Very high | 67 Ų | 67 | 110.8 Ų | 110.8 | 31% | 0.313 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.8 | -33.8 | 173.5 | -69.9 | 179.1 | 6.7 | 0 | 0 | 113 | V163 K171 | V163-Q167 HydrophobicContact CG1-CG 4.49Å; V163-Q167 WeakPolarHBondContact O-CG 3.41Å; V163-Q167 PolarHBondContact O-N 2.88Å; Q167-K171 VanDerWaalsContact O-CB 3.3Å; Q167-K171 WeakPolarHBondContact O-CB 3.45Å; Q167-K171 WeakPolarHBondContact O-CD 3.38Å; Q167-K171 VanDerWaalsContact O-CG 3.23Å; Q167-K171 WeakPolarHBondContact O-CG 3.37Å; Q167-K171 PolarHBondContact O-N 2.75Å |
| 168 | I | 95.8 | Very high | 93.7 | Very high | 82 Ų | 82 | 110.1 Ų | 110.1 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74 | -32.2 | 176.6 | -71.9 | 167.8 | 0 | 0 | 0 | 111.9 | L164 Q165 E166 K172 | L164-I168 HydrophobicContact CD1-CD1 4.05Å; L164-I168 HydrophobicContact CD1-CG1 4.43Å; L164-I168 HydrophobicContact CG-CD1 4Å; L164-I168 WeakPolarHBondContact O-CB 3.3Å; L164-I168 WeakPolarHBondContact O-CD1 3.29Å; L164-I168 WeakPolarHBondContact O-CG1 3.44Å; L164-I168 PolarHBondContact O-N 3.12Å; L164-I168 VanDerWaalsContact O-N 3.12Å; Q165-I168 PolarHBondContact O-N 3.02Å; E166-I168 PolarHBondContact O-N 2.87Å; I168-K172 HydrophobicContact CG2-CD 4.42Å; I168-K172 WeakPolarHBondContact O-CD 3.46Å; I168-K172 VanDerWaalsContact O-CG 3.25Å; I168-K172 WeakPolarHBondContact O-CG 3.34Å; I168-K172 PolarHBondContact O-N 3.43Å |
| 169 | K | 97.1 | Very high | 92.2 | Very high | 113 Ų | 113 | 105.5 Ų | 105.5 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69 | -52.2 | 172.7 | -68.1 | 164.9 | -172.5 | 170.6 | 0 | 110.2 | Q165 E166 K171 K172 Q173 | Q165-K169 WeakPolarHBondContact O-CG 3.27Å; Q165-K169 PolarHBondContact O-N 3.23Å; E166-K169 WeakPolarHBondContact O-CB 3.38Å; E166-K169 PolarHBondContact O-N 2.74Å; K169-K171 PolarHBondContact O-N 3.01Å; K169-K172 WeakPolarHBondContact O-CA 3.17Å; K169-K172 WeakPolarHBondContact O-CB 3.2Å; K169-K172 PolarHBondContact O-N 2.93Å; K169-Q173 PolarHBondContact O-N 3.13Å; K169-Q173 PolarHBondContact O-OE1 2.78Å |
| 170 | E | 96.1 | Very high | 90.4 | Very high | 84 Ų | 84 | 109.8 Ų | 109.8 | 39% | 0.393 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.6 | -48.9 | -179 | -170.5 | -154.6 | 160.2 | 0 | 0 | 111.8 | E166 K172 Q173 K174 | E166-E170 PolarHBondContact O-N 3.34Å; E170-K172 VanDerWaalsContact C-N 3.26Å; E170-K172 PolarHBondContact O-N 3.35Å; E170-Q173 PolarHBondContact O-N 2.88Å; E170-Q173 VanDerWaalsContact O-N 3.07Å; E170-K174 HydrophobicContact CG-CD 4.33Å; E170-K174 PolarHBondContact O-N 3.34Å; E170-K174 WeakPolarHBondContact OE1-CE 3.37Å; E170-K174 IonicContact OE1-NZ 2.66Å; E170-K174 PolarHBondContact OE1-NZ 3.15Å |
| 171 | K | 95.3 | Very high | 88.3 | Confident | 124 Ų | 124 | 111.3 Ų | 111.3 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.8 | -30.7 | 177.6 | -73.2 | 171.1 | -178.7 | 173.3 | 0 | 112.7 | Q167 K169 Q175 | Q167-K171 VanDerWaalsContact O-CB 3.3Å; Q167-K171 WeakPolarHBondContact O-CB 3.45Å; Q167-K171 WeakPolarHBondContact O-CD 3.38Å; Q167-K171 VanDerWaalsContact O-CG 3.23Å; Q167-K171 WeakPolarHBondContact O-CG 3.37Å; Q167-K171 PolarHBondContact O-N 2.75Å; K169-K171 PolarHBondContact O-N 3.01Å; K171-Q175 VanDerWaalsContact O-CB 3.29Å; K171-Q175 WeakPolarHBondContact O-CB 3.39Å; K171-Q175 VanDerWaalsContact O-CG 3.23Å; K171-Q175 WeakPolarHBondContact O-CG 3.47Å; K171-Q175 PolarHBondContact O-N 2.93Å; K171-Q175 VanDerWaalsContact O-N 3.12Å |
| 172 | K | 94.8 | Very high | 86.3 | Confident | 129 Ų | 129 | 110.6 Ų | 110.6 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.5 | -31 | 173.2 | -75.4 | 175.1 | 178.2 | -175.5 | 0 | 113 | I168 K169 E170 N176 | I168-K172 HydrophobicContact CG2-CD 4.42Å; I168-K172 WeakPolarHBondContact O-CD 3.46Å; I168-K172 VanDerWaalsContact O-CG 3.25Å; I168-K172 WeakPolarHBondContact O-CG 3.34Å; I168-K172 PolarHBondContact O-N 3.43Å; K169-K172 WeakPolarHBondContact O-CA 3.17Å; K169-K172 WeakPolarHBondContact O-CB 3.2Å; K169-K172 PolarHBondContact O-N 2.93Å; E170-K172 VanDerWaalsContact C-N 3.26Å; E170-K172 PolarHBondContact O-N 3.35Å; K172-N176 PolarHBondContact O-N 3.34Å; K172-N176 PolarHBondContact O-ND2 3.45Å |
| 173 | Q | 92.9 | Very high | 84.4 | Confident | 113 Ų | 113 | 113 Ų | 113 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.8 | -55.1 | 175.4 | -71.4 | 167.5 | -78.2 | 0 | 0 | 109.7 | K169 E170 Q175 N176 E177 | K169-Q173 PolarHBondContact O-N 3.13Å; K169-Q173 PolarHBondContact O-OE1 2.78Å; E170-Q173 PolarHBondContact O-N 2.88Å; E170-Q173 VanDerWaalsContact O-N 3.07Å; Q173-Q175 VanDerWaalsContact C-N 3.3Å; Q173-Q175 PolarHBondContact O-N 2.72Å; Q173-N176 WeakPolarHBondContact O-CA 3.39Å; Q173-N176 PolarHBondContact O-N 2.84Å; Q173-E177 PolarHBondContact O-N 3.37Å |
| 174 | K | 91.1 | Very high | 82.5 | Confident | 116 Ų | 116 | 119.7 Ų | 119.7 | 50% | 0.504 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -52.9 | -43.4 | 175 | -71.2 | 178.5 | 170.4 | 174.8 | 0 | 112.8 | E170 N176 E177 E178 | E170-K174 HydrophobicContact CG-CD 4.33Å; E170-K174 PolarHBondContact O-N 3.34Å; E170-K174 WeakPolarHBondContact OE1-CE 3.37Å; E170-K174 IonicContact OE1-NZ 2.66Å; E170-K174 PolarHBondContact OE1-NZ 3.15Å; K174-N176 VanDerWaalsContact C-N 3.34Å; K174-N176 PolarHBondContact O-N 2.78Å; K174-E177 PolarHBondContact O-N 2.88Å; K174-E178 VanDerWaalsContact O-CB 3.32Å; K174-E178 WeakPolarHBondContact O-CB 3.43Å; K174-E178 PolarHBondContact O-N 2.86Å |
| 175 | Q | 88.7 | Confident | 80.6 | Confident | 122 Ų | 122 | 126.7 Ų | 126.7 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.4 | -24.1 | 175.1 | -78.7 | -177.3 | -14.3 | 0 | 0 | 115 | K171 Q173 L179 | K171-Q175 VanDerWaalsContact O-CB 3.29Å; K171-Q175 WeakPolarHBondContact O-CB 3.39Å; K171-Q175 VanDerWaalsContact O-CG 3.23Å; K171-Q175 WeakPolarHBondContact O-CG 3.47Å; K171-Q175 PolarHBondContact O-N 2.93Å; K171-Q175 VanDerWaalsContact O-N 3.12Å; Q173-Q175 VanDerWaalsContact C-N 3.3Å; Q173-Q175 PolarHBondContact O-N 2.72Å; Q175-L179 WeakPolarHBondContact O-CB 3.19Å; Q175-L179 VanDerWaalsContact O-CD1 3.22Å; Q175-L179 WeakPolarHBondContact O-CD1 3.27Å; Q175-L179 WeakPolarHBondContact O-CG 3.29Å |
| 176 | N | 83.6 | Confident | 78.8 | Confident | 103 Ų | 103 | 132.4 Ų | 132.4 | 55% | 0.551 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -81.5 | -33.5 | 173.3 | -77.6 | -47.7 | 0 | 0 | 0 | 111.6 | K172 Q173 K174 | K172-N176 PolarHBondContact O-N 3.34Å; K172-N176 PolarHBondContact O-ND2 3.45Å; Q173-N176 WeakPolarHBondContact O-CA 3.39Å; Q173-N176 PolarHBondContact O-N 2.84Å; K174-N176 VanDerWaalsContact C-N 3.34Å; K174-N176 PolarHBondContact O-N 2.78Å |
| 177 | E | 80.9 | Confident | 76.9 | Confident | 124 Ų | 124 | 137.2 Ų | 137.2 | 58% | 0.579 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.3 | -52.1 | 175.6 | -70.6 | 148.3 | -154 | 0 | 0 | 110.9 | Q173 K174 L179 Q180 | Q173-E177 PolarHBondContact O-N 3.37Å; K174-E177 PolarHBondContact O-N 2.88Å; E177-L179 PolarHBondContact O-N 3.36Å; E177-L179 VanDerWaalsContact O-N 3.13Å; E177-Q180 PolarHBondContact O-N 2.95Å; E177-Q180 VanDerWaalsContact O-N 3.17Å; E177-Q180 VanDerWaalsContact O-O 3.13Å |
| 178 | E | 78.3 | Confident | 74.8 | Confident | 164 Ų | 164 | 141.6 Ų | 141.6 | 77% | 0.766 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -17.3 | 179.5 | -164.5 | -173.4 | 172.2 | 0 | 0 | 113.8 | K174 | K174-E178 VanDerWaalsContact O-CB 3.32Å; K174-E178 WeakPolarHBondContact O-CB 3.43Å; K174-E178 PolarHBondContact O-N 2.86Å |
| 179 | L | 64.9 | Low | 72.6 | Confident | 111 Ų | 111 | 142.6 Ų | 142.6 | 58% | 0.581 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 9.8 | 178.4 | -70.1 | 179.4 | 0 | 0 | 0 | 114.4 | Q175 E177 | Q175-L179 WeakPolarHBondContact O-CB 3.19Å; Q175-L179 VanDerWaalsContact O-CD1 3.22Å; Q175-L179 WeakPolarHBondContact O-CD1 3.27Å; Q175-L179 WeakPolarHBondContact O-CG 3.29Å; E177-L179 PolarHBondContact O-N 3.36Å; E177-L179 VanDerWaalsContact O-N 3.13Å |
| 180 | Q | 58.5 | Low | 70.2 | Confident | 146 Ų | 146 | 143.1 Ų | 143.1 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | trans | -121.5 | 141 | 163.9 | -67.8 | -76.8 | 16.7 | 0 | 0 | 107.9 | E177 | E177-Q180 PolarHBondContact O-N 2.95Å; E177-Q180 VanDerWaalsContact O-N 3.17Å; E177-Q180 VanDerWaalsContact O-O 3.13Å | ||
| 181 | P | 53.4 | Low | 68.2 | Low | 121 Ų | 121 | 146.9 Ų | 146.9 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | S | Bend | cis | -123.6 | -1.3 | 31.4 | 39.1 | -27.5 | 0 | 0 | 0 | 116.8 | ||
| 182 | D | 55.8 | Low | 66 | Low | 145 Ų | 145 | 150.2 Ų | 150.2 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -134.2 | 44 | -157.7 | -156.7 | 4.2 | 0 | 0 | 0 | 116.8 | ||
| 183 | K | 56.9 | Low | 63.8 | Low | 197 Ų | 197 | 150.8 Ų | 150.8 | 86% | 0.857 | 72% | 0.718 | S | S | * | * | trans | -130.6 | 109.1 | 174.5 | -70.7 | 179 | -177.8 | 156.3 | 0 | 112.9 | ||||
| 184 | K | 57.7 | Low | 61.9 | Low | 203 Ų | 203 | 154.3 Ų | 154.3 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | -42.1 | 139.8 | 176.8 | -64.7 | 174.4 | -178.7 | 174.5 | 0 | 112 | K186 | K184-K186 VanDerWaalsContact C-N 3.34Å; K184-K186 PolarHBondContact O-N 3.19Å | ||
| 185 | K | 58.7 | Low | 59.9 | Low | 212 Ų | 212 | 157.6 Ų | 157.6 | 92% | 0.922 | 75% | 0.746 | S | S | * | * | trans | -57.4 | 76.5 | -170.1 | -61.9 | 176.4 | -178.7 | 171.1 | 0 | 114.7 | K187 | K185-K187 PolarHBondContact O-N 2.91Š| ||
| 186 | K | 60.4 | Low | 58 | Low | 196 Ų | 196 | 161.3 Ų | 161.3 | 85% | 0.852 | 76% | 0.76 | S | S | * | * | trans | -56.2 | 125.1 | 157.6 | -87.3 | -172.1 | 174.5 | -179.8 | 0 | 107.4 | K184 K188 | K184-K186 VanDerWaalsContact C-N 3.34Å; K184-K186 PolarHBondContact O-N 3.19Å; K186-K188 PolarHBondContact O-N 3.42Å | ||
| 187 | K | 56.1 | Low | 56.6 | Low | 209 Ų | 209 | 164.6 Ų | 164.6 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | trans | -52.6 | 107.9 | 179.2 | -84.6 | -179.5 | 173.9 | 174.5 | 0 | 109.4 | K185 S189 | K185-K187 PolarHBondContact O-N 2.91Å; K187-S189 VanDerWaalsContact C-N 3.34Å; K187-S189 PolarHBondContact O-N 3.46Å | ||
| 188 | K | 53.1 | Low | 54.9 | Low | 160 Ų | 160 | 163.4 Ų | 163.4 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | trans | -64.1 | 98.1 | 167.2 | -72.8 | -171.4 | 177.6 | -176.5 | 0 | 107 | K186 N190 | K186-K188 PolarHBondContact O-N 3.42Å; K188-N190 PolarHBondContact O-N 2.86Å; K188-N190 VanDerWaalsContact O-N 3.11Å | ||
| 189 | S | 50 | Low | 53.9 | Low | 103 Ų | 103 | 161 Ų | 161 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -59.2 | 115.7 | 170.4 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | K187 Q191 | K187-S189 VanDerWaalsContact C-N 3.34Å; K187-S189 PolarHBondContact O-N 3.46Å; S189-Q191 PolarHBondContact O-N 3.36Å | ||
| 190 | N | 47.5 | Very low | 53.2 | Low | 123 Ų | 123 | 159.6 Ų | 159.6 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | trans | -72.9 | 76.3 | -174.7 | -86.9 | -42 | 0 | 0 | 0 | 110.5 | K188 R192 | K188-N190 PolarHBondContact O-N 2.86Å; K188-N190 VanDerWaalsContact O-N 3.11Å; N190-R192 HydrophobicContact CB-CG 4.47Å; N190-R192 PolarHBondContact O-N 2.92Å | ||
| 191 | Q | 54.2 | Low | 52.9 | Low | 163 Ų | 163 | 157.1 Ų | 157.1 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -72.9 | 52.7 | 154.8 | -62.1 | -157.2 | 49.6 | 0 | 0 | 110 | S189 D193 | S189-Q191 PolarHBondContact O-N 3.36Å; Q191-D193 PolarHBondContact O-N 2.92Å | ||
| 192 | R | 48.3 | Very low | 53 | Low | 194 Ų | 194 | 156.2 Ų | 156.2 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -65.1 | 118 | 162.2 | -78.9 | -174.5 | 174.2 | -176.1 | -4.3 | 106.9 | N190 K194 | N190-R192 HydrophobicContact CB-CG 4.47Å; N190-R192 PolarHBondContact O-N 2.92Å; R192-K194 PolarHBondContact O-N 3.4Å | ||
| 193 | D | 49.1 | Very low | 53 | Low | 142 Ų | 142 | 151.8 Ų | 151.8 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 36.6 | 80.9 | 153 | -52.9 | -65 | 0 | 0 | 0 | 115.4 | Q191 K195 | Q191-D193 PolarHBondContact O-N 2.92Å; D193-K195 PolarHBondContact O-N 3.07Å | ||
| 194 | K | 51.7 | Low | 53 | Low | 187 Ų | 187 | 149.1 Ų | 149.1 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -68 | 54.5 | 157.7 | -72.9 | -172.7 | 176.6 | 179.2 | 0 | 111.1 | R192 K196 | R192-K194 PolarHBondContact O-N 3.4Å; K194-K196 PolarHBondContact O-N 3.09Å; K194-K196 VanDerWaalsContact O-N 3.16Å | ||
| 195 | K | 49.3 | Very low | 52.9 | Low | 185 Ų | 185 | 143.3 Ų | 143.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -54 | 116.3 | 155.9 | -169.8 | 177.2 | -174.6 | 179.9 | 0 | 105.2 | D193 Q197 | D193-K195 PolarHBondContact O-N 3.07Å; K195-Q197 PolarHBondContact O-N 3.34Å | ||
| 196 | K | 49.5 | Very low | 52.9 | Low | 200 Ų | 200 | 137.3 Ų | 137.3 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -50.6 | 106.7 | -158.1 | -69.7 | -172.7 | 178.4 | -176.2 | 0 | 112.3 | K194 | K194-K196 PolarHBondContact O-N 3.09Å; K194-K196 VanDerWaalsContact O-N 3.16Å | ||
| 197 | Q | 54.3 | Low | 53.2 | Low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -66.5 | 124.1 | 152.2 | -66.8 | -63.7 | -30.1 | 0 | 0 | 106.2 | K195 A199 | K195-Q197 PolarHBondContact O-N 3.34Å; Q197-A199 PolarHBondContact O-N 2.82Å | ||
| 198 | P | 46 | Very low | 54.3 | Low | 98 Ų | 98 | 127.7 Ų | 127.7 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -62.5 | 130.5 | 171.4 | 26.8 | -32.3 | 0 | 0 | 0 | 108.4 | S200 | P198-S200 PolarHBondContact O-N 3.15Š| ||
| 199 | A | 56.3 | Low | 55.5 | Low | 114 Ų | 114 | 123.6 Ų | 123.6 | 94% | 0.942 | 74% | 0.743 | S | S | * | * | trans | -79.1 | 64.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q197 | Q197-A199 PolarHBondContact O-N 2.82Š| ||
| 200 | S | 50.8 | Low | 57.2 | Low | 81 Ų | 81 | 118.8 Ų | 118.8 | 57% | 0.566 | 71% | 0.709 | S | S | * | * | trans | -110.9 | 80 | 171.7 | 57 | 0 | 0 | 0 | 0 | 109.4 | P198 S202 | P198-S200 PolarHBondContact O-N 3.15Å; S200-S202 PolarHBondContact O-N 2.9Å | ||
| 201 | G | 53 | Low | 59.3 | Low | 94 Ų | 94 | 119.1 Ų | 119.1 | 97% | 0.969 | 71% | 0.707 | S | S | * | * | trans | -73 | 66 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 202 | S | 55.3 | Low | 61 | Low | 102 Ų | 102 | 117.5 Ų | 117.5 | 71% | 0.713 | 70% | 0.698 | S | S | * | * | trans | -114.6 | 117.2 | -177.7 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | S200 | S200-S202 PolarHBondContact O-N 2.9Š| ||
| 203 | G | 55.5 | Low | 63.1 | Low | 53 Ų | 53 | 114 Ų | 114 | 55% | 0.546 | 69% | 0.687 | S | S | . | * | trans | 127.6 | -6.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | G205 S206 | G203-G205 PolarHBondContact O-N 3.33Å; G203-S206 PolarHBondContact O-N 3.02Å | ||
| 204 | S | 56.3 | Low | 65 | Low | 140 Ų | 140 | 115.2 Ų | 115.2 | 98% | 0.979 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 66.1 | 172.9 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 205 | G | 56.1 | Low | 66.8 | Low | 81 Ų | 81 | 109.1 Ų | 109.1 | 84% | 0.835 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 173.9 | -6.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | G203 | G203-G205 PolarHBondContact O-N 3.33Š|
| 206 | S | 58.9 | Low | 68.8 | Low | 86 Ų | 86 | 106.8 Ų | 106.8 | 60% | 0.601 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -94.6 | 148.8 | 168 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | G203 Q208 | G203-S206 PolarHBondContact O-N 3.02Å; S206-Q208 PolarHBondContact O-N 3.16Å |
| 207 | G | 66.9 | Low | 70.8 | Confident | 86 Ų | 86 | 101.4 Ų | 101.4 | 89% | 0.887 | 66% | 0.658 | S | S | * | * | trans | -72.2 | 34 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V209 | G207-V209 PolarHBondContact O-N 3.24Š| ||
| 208 | Q | 77.7 | Confident | 72.6 | Confident | 118 Ų | 118 | 97.7 Ų | 97.7 | 55% | 0.551 | 64% | 0.643 | S | S | * | * | trans | -77.5 | 118 | -173 | -172.8 | 169.7 | 8.2 | 0 | 0 | 111 | S206 | S206-Q208 PolarHBondContact O-N 3.16Š| ||
| 209 | V | 78.6 | Confident | 74.8 | Confident | 74 Ų | 74 | 96 Ų | 96 | 45% | 0.448 | 63% | 0.628 | S | S | . | * | trans | -80.7 | 125.2 | 169.9 | -82.8 | 0 | 0 | 0 | 0 | 110.2 | G207 L217 L219 | G207-V209 PolarHBondContact O-N 3.24Å; V209-L217 WeakPolarHBondContact O-CD1 3.48Å; V209-L219 HydrophobicContact CB-CD2 4.07Å; V209-L219 HydrophobicContact CG2-CD2 4.36Å | ||
| 210 | G | 86.2 | Confident | 76.5 | Confident | 2 Ų | 2 | 92.9 Ų | 92.9 | 2% | 0.021 | 60% | 0.6 | C | S | . | * | S | Bend | trans | 82.4 | -174.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | I218 E223 | G210-I218 CarbonylContact C-O 3.6Å; G210-I218 WeakPolarHBondContact CA-O 3.2Å; G210-E223 WeakPolarHBondContact CA-OE1 3.31Å; G210-E223 PolarHBondContact N-OE1 2.94Å |
| 211 | Q | 91.2 | Very high | 78.4 | Confident | 130 Ų | 130 | 93 Ų | 93 | 61% | 0.607 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.7 | 123.1 | -176.3 | -67.6 | -70.2 | -63.6 | 0 | 0 | 109.7 | I218 | Q211-I218 PolarHBondContact N-O 3.31Å; Q211-I218 WeakPolarHBondContact O-CB 3.5Å; Q211-I218 PolarHBondContact O-N 3.01Å |
| 212 | F | 90.2 | Very high | 80.1 | Confident | 129 Ų | 129 | 95.8 Ų | 95.8 | 57% | 0.566 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 124.4 | 177.5 | -159.6 | -106.3 | 0 | 0 | 0 | 110.7 | G215 M216 L217 | F212-G215 WeakPolarHBondContact CE2-O 3.32Å; F212-G215 VanDerWaalsContact CZ-O 3.23Å; F212-G215 WeakPolarHBondContact CZ-O 3.47Å; F212-M216 WeakPolarHBondContact CA-O 3.47Å; F212-M216 WeakPolarHBondContact CD2-O 3.45Å; F212-L217 HydrophobicContact CD2-CB 4.14Å; F212-L217 HydrophobicContact CD2-CD1 4.33Å |
| 213 | K | 92.4 | Very high | 81.7 | Confident | 119 Ų | 119 | 93.3 Ų | 93.3 | 52% | 0.517 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -143.8 | 137.3 | 178.7 | -62.5 | -172.7 | -176.7 | 175.1 | 0 | 110.2 | G215 M216 I218 | K213-G215 PolarHBondContact O-N 3.17Å; K213-G215 VanDerWaalsContact O-N 3.12Å; K213-M216 PolarHBondContact N-O 2.88Å; K213-M216 PolarHBondContact O-N 2.83Å; K213-M216 VanDerWaalsContact O-O 3.12Å; K213-I218 HydrophobicContact CB-CD1 3.98Å; K213-I218 HydrophobicContact CD-CD1 4.17Å; K213-I218 HydrophobicContact CG-CD1 4.33Å |
| 214 | N | 89.3 | Confident | 83.3 | Confident | 169 Ų | 169 | 95 Ų | 95 | 90% | 0.904 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.8 | 34.5 | 175 | -54.2 | -1.4 | 0 | 0 | 0 | 114.2 | M216 | N214-M216 VanDerWaalsContact C-N 3.33Š|
| 215 | G | 90 | Very high | 85 | Confident | 58 Ų | 58 | 94.6 Ų | 94.6 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -1.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | F212 K213 | F212-G215 WeakPolarHBondContact CE2-O 3.32Å; F212-G215 VanDerWaalsContact CZ-O 3.23Å; F212-G215 WeakPolarHBondContact CZ-O 3.47Å; K213-G215 PolarHBondContact O-N 3.17Å; K213-G215 VanDerWaalsContact O-N 3.12Å |
| 216 | M | 89.9 | Confident | 86.5 | Confident | 136 Ų | 136 | 98.1 Ų | 98.1 | 67% | 0.67 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.1 | -178.2 | -59.6 | -179.9 | 72.8 | 0 | 0 | 112 | F212 K213 N214 | F212-M216 WeakPolarHBondContact CA-O 3.47Å; F212-M216 WeakPolarHBondContact CD2-O 3.45Å; K213-M216 PolarHBondContact N-O 2.88Å; K213-M216 PolarHBondContact O-N 2.83Å; K213-M216 VanDerWaalsContact O-O 3.12Å; N214-M216 VanDerWaalsContact C-N 3.33Å |
| 217 | L | 92 | Very high | 87.8 | Confident | 88 Ų | 88 | 98.4 Ų | 98.4 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 117.2 | 169.4 | -173.6 | 63.9 | 0 | 0 | 0 | 110.3 | V209 F212 L219 | V209-L217 WeakPolarHBondContact O-CD1 3.48Å; F212-L217 HydrophobicContact CD2-CB 4.14Å; F212-L217 HydrophobicContact CD2-CD1 4.33Å; L217-L219 HydrophobicContact CD2-CD2 4.22Å; L217-L219 HydrophobicContact CG-CD2 4.38Å |
| 218 | I | 92.8 | Very high | 88.8 | Confident | 94 Ų | 94 | 102.7 Ų | 102.7 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 105.8 | 178.7 | -54.6 | -179.5 | 0 | 0 | 0 | 108.7 | G210 Q211 K213 | G210-I218 CarbonylContact C-O 3.6Å; G210-I218 WeakPolarHBondContact CA-O 3.2Å; Q211-I218 PolarHBondContact N-O 3.31Å; Q211-I218 WeakPolarHBondContact O-CB 3.5Å; Q211-I218 PolarHBondContact O-N 3.01Å; K213-I218 HydrophobicContact CB-CD1 3.98Å; K213-I218 HydrophobicContact CD-CD1 4.17Å; K213-I218 HydrophobicContact CG-CD1 4.33Å |
| 219 | L | 91.8 | Very high | 88.9 | Confident | 61 Ų | 61 | 100.2 Ų | 100.2 | 32% | 0.319 | 53% | 0.528 | S | S | . | . | trans | -85.7 | 140.8 | 171.9 | -60.2 | 174.6 | 0 | 0 | 0 | 110.3 | V209 L217 I224 I227 | V209-L219 HydrophobicContact CB-CD2 4.07Å; V209-L219 HydrophobicContact CG2-CD2 4.36Å; L217-L219 HydrophobicContact CD2-CD2 4.22Å; L217-L219 HydrophobicContact CG-CD2 4.38Å; L219-I224 HydrophobicContact CB-CD1 4.09Å; L219-I224 HydrophobicContact CB-CG1 3.75Å; L219-I224 HydrophobicContact CD1-CG1 4.03Å; L219-I227 HydrophobicContact CD1-CD1 4.38Å | ||
| 220 | S | 91 | Very high | 88.5 | Confident | 50 Ų | 50 | 104.9 Ų | 104.9 | 35% | 0.35 | 54% | 0.542 | S | S | . | . | trans | -77.4 | 155.7 | 166.3 | 68.8 | 0 | 0 | 0 | 0 | 111.4 | K222 E223 I224 | S220-K222 PolarHBondContact O-N 3.06Å; S220-K222 VanDerWaalsContact O-N 3.15Å; S220-E223 VanDerWaalsContact CB-OE2 3.22Å; S220-E223 WeakPolarHBondContact CB-OE2 3.42Å; S220-E223 PolarHBondContact N-OE2 2.9Å; S220-E223 PolarHBondContact O-N 3.01Å; S220-E223 VanDerWaalsContact OG-CD 3.32Å; S220-E223 WeakPolarHBondContact OG-CG 3.26Å; S220-E223 PolarHBondContact OG-N 3.21Å; S220-E223 PolarHBondContact OG-OE2 3.36Å; S220-I224 WeakPolarHBondContact O-CG1 3.36Å; S220-I224 PolarHBondContact O-N 3.28Å | ||
| 221 | S | 91.1 | Very high | 87.1 | Confident | 84 Ų | 84 | 119.7 Ų | 119.7 | 59% | 0.587 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -54.5 | -34 | 174.5 | 52.6 | 0 | 0 | 0 | 0 | 113 | I224 Q225 | S221-I224 PolarHBondContact O-N 2.95Å; S221-Q225 WeakPolarHBondContact O-CB 3.41Å; S221-Q225 VanDerWaalsContact O-CG 3.22Å; S221-Q225 WeakPolarHBondContact O-CG 3.09Å; S221-Q225 PolarHBondContact O-N 2.88Å |
| 222 | K | 89.9 | Confident | 86.8 | Confident | 151 Ų | 151 | 119.2 Ų | 119.2 | 66% | 0.657 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69.4 | -33.8 | 176.2 | -63.2 | -174.6 | 179.2 | -175.5 | 0 | 112.9 | S220 K226 | S220-K222 PolarHBondContact O-N 3.06Å; S220-K222 VanDerWaalsContact O-N 3.15Å; K222-K226 WeakPolarHBondContact O-CB 3.29Å; K222-K226 VanDerWaalsContact O-CG 3.29Å; K222-K226 WeakPolarHBondContact O-CG 3.42Å; K222-K226 PolarHBondContact O-N 2.79Å |
| 223 | E | 88 | Confident | 86.7 | Confident | 51 Ų | 51 | 118.6 Ų | 118.6 | 24% | 0.238 | 60% | 0.599 | C | S | . | * | H | α-helix | trans | -74.2 | -42.1 | 174.2 | -71.1 | 159.1 | 127 | 0 | 0 | 111 | G210 S220 Q225 K226 I227 | G210-E223 WeakPolarHBondContact CA-OE1 3.31Å; G210-E223 PolarHBondContact N-OE1 2.94Å; S220-E223 VanDerWaalsContact CB-OE2 3.22Å; S220-E223 WeakPolarHBondContact CB-OE2 3.42Å; S220-E223 PolarHBondContact N-OE2 2.9Å; S220-E223 PolarHBondContact O-N 3.01Å; S220-E223 VanDerWaalsContact OG-CD 3.32Å; S220-E223 WeakPolarHBondContact OG-CG 3.26Å; S220-E223 PolarHBondContact OG-N 3.21Å; S220-E223 PolarHBondContact OG-OE2 3.36Å; E223-Q225 VanDerWaalsContact C-N 3.29Å; E223-Q225 PolarHBondContact O-N 3Å; E223-K226 CarbonylContact O-C 3.6Å; E223-K226 WeakPolarHBondContact O-CB 3.47Å; E223-K226 PolarHBondContact O-N 3.34Å; E223-K226 VanDerWaalsContact O-N 3.12Å; E223-I227 VanDerWaalsContact O-CG1 3.3Å; E223-I227 WeakPolarHBondContact O-CG1 3.19Å; E223-I227 PolarHBondContact O-N 2.77Å |
| 224 | I | 89.6 | Confident | 86.3 | Confident | 87 Ų | 87 | 118.6 Ų | 118.6 | 45% | 0.446 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.3 | -43.4 | 173.4 | -62.6 | 166.5 | 0 | 0 | 0 | 110.4 | L219 S220 S221 I227 K228 | L219-I224 HydrophobicContact CB-CD1 4.09Å; L219-I224 HydrophobicContact CB-CG1 3.75Å; L219-I224 HydrophobicContact CD1-CG1 4.03Å; S220-I224 WeakPolarHBondContact O-CG1 3.36Å; S220-I224 PolarHBondContact O-N 3.28Å; S221-I224 PolarHBondContact O-N 2.95Å; I224-I227 PolarHBondContact O-N 2.96Å; I224-K228 WeakPolarHBondContact O-CB 3.36Å; I224-K228 PolarHBondContact O-N 3.26Å |
| 225 | Q | 91.1 | Very high | 86.2 | Confident | 133 Ų | 133 | 115.6 Ų | 115.6 | 62% | 0.621 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63 | -43.7 | 173.4 | -75.8 | 168.1 | -12.8 | 0 | 0 | 112.5 | S221 E223 I227 K228 G229 | S221-Q225 WeakPolarHBondContact O-CB 3.41Å; S221-Q225 VanDerWaalsContact O-CG 3.22Å; S221-Q225 WeakPolarHBondContact O-CG 3.09Å; S221-Q225 PolarHBondContact O-N 2.88Å; E223-Q225 VanDerWaalsContact C-N 3.29Å; E223-Q225 PolarHBondContact O-N 3Å; Q225-I227 VanDerWaalsContact C-N 3.25Å; Q225-I227 PolarHBondContact O-N 2.85Å; Q225-K228 PolarHBondContact O-N 2.92Å; Q225-G229 PolarHBondContact O-N 3.42Å |
| 226 | K | 87.9 | Confident | 85.9 | Confident | 154 Ų | 154 | 119.3 Ų | 119.3 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.8 | -25.8 | 175.4 | -80.3 | 175.9 | 175.6 | -173.3 | 0 | 114.1 | K222 E223 K230 | K222-K226 WeakPolarHBondContact O-CB 3.29Å; K222-K226 VanDerWaalsContact O-CG 3.29Å; K222-K226 WeakPolarHBondContact O-CG 3.42Å; K222-K226 PolarHBondContact O-N 2.79Å; E223-K226 CarbonylContact O-C 3.6Å; E223-K226 WeakPolarHBondContact O-CB 3.47Å; E223-K226 PolarHBondContact O-N 3.34Å; E223-K226 VanDerWaalsContact O-N 3.12Å; K226-K230 WeakPolarHBondContact O-CD 3.44Å; K226-K230 WeakPolarHBondContact O-CG 3.19Å |
| 227 | I | 85.6 | Confident | 85.7 | Confident | 92 Ų | 92 | 118.1 Ų | 118.1 | 47% | 0.472 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -82.7 | -47.7 | 174.7 | -66 | 161.6 | 0 | 0 | 0 | 109.8 | L219 E223 I224 Q225 K230 | L219-I227 HydrophobicContact CD1-CD1 4.38Å; E223-I227 VanDerWaalsContact O-CG1 3.3Å; E223-I227 WeakPolarHBondContact O-CG1 3.19Å; E223-I227 PolarHBondContact O-N 2.77Å; I224-I227 PolarHBondContact O-N 2.96Å; Q225-I227 VanDerWaalsContact C-N 3.25Å; Q225-I227 PolarHBondContact O-N 2.85Å; I227-K230 PolarHBondContact O-N 2.6Å |
| 228 | K | 88.4 | Confident | 85.2 | Confident | 176 Ų | 176 | 120.3 Ų | 120.3 | 77% | 0.765 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.8 | -34.5 | -178.1 | -172.8 | 176.2 | 179.3 | -179 | 0 | 113.4 | I224 Q225 K230 | I224-K228 WeakPolarHBondContact O-CB 3.36Å; I224-K228 PolarHBondContact O-N 3.26Å; Q225-K228 PolarHBondContact O-N 2.92Å; K228-K230 PolarHBondContact O-N 3.27Å |
| 229 | G | 80.5 | Confident | 84.6 | Confident | 67 Ų | 67 | 122.3 Ų | 122.3 | 69% | 0.691 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 14.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q225 | Q225-G229 PolarHBondContact O-N 3.42Š|
| 230 | K | 69.2 | Low | 84 | Confident | 172 Ų | 172 | 127.4 Ų | 127.4 | 75% | 0.748 | 62% | 0.619 | S | S | * | * | trans | -112.8 | 78.1 | 171.1 | -75.6 | -175.8 | 174.5 | -163.5 | 0 | 109.7 | K226 I227 K228 | K226-K230 WeakPolarHBondContact O-CD 3.44Å; K226-K230 WeakPolarHBondContact O-CG 3.19Å; I227-K230 PolarHBondContact O-N 2.6Å; K228-K230 PolarHBondContact O-N 3.27Å | ||
| 231 | R | 56.2 | Low | 83.4 | Confident | 312 Ų | 312 | 134.5 Ų | 134.5 | 100% | 1.177 | 64% | 0.643 | S | S | * | * | trans | -143.8 | 0 | 166.3 | -77.9 | -168.7 | 172.5 | -166 | -3.2 | 107.9 |
Retrieved 231 of 231 residues in 211 ms
(Link to these results)