| 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 | 37.2 | Very low | 34.8 | Very low | 235 Ų | 235 | 140.8 Ų | 140.8 | 100% | 1.158 | 85% | 0.845 | S | S | * | * | 0 | 122.4 | 0 | -71.8 | 169.9 | 76.8 | 0 | 0 | 107.4 | |||||
| 2 | T | 38.8 | Very low | 34.3 | Very low | 141 Ų | 141 | 142.3 Ų | 142.3 | 87% | 0.865 | 84% | 0.836 | S | S | * | * | trans | 42.6 | 111.1 | 160 | 44.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 3 | G | 29.8 | Very low | 33.9 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | cis | 99.2 | 106.4 | 28 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 4 | C | 35.8 | Very low | 33.7 | Very low | 138 Ų | 138 | 141.9 Ų | 141.9 | 93% | 0.932 | 83% | 0.827 | S | S | * | * | trans | 172 | 108.5 | 142 | -89.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 5 | S | 36.2 | Very low | 33.3 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -104.2 | 166.6 | 147.8 | -62.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 6 | P | 50.2 | Low | 33.5 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -134 | 144.1 | 131.6 | 34.4 | -22.4 | 0 | 0 | 0 | 112.9 | ||||
| 7 | A | 31.3 | Very low | 34.1 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 65% | 0.653 | 82% | 0.821 | S | S | * | * | trans | -133.2 | 138.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 8 | F | 31.8 | Very low | 33.9 | Very low | 207 Ų | 207 | 140.2 Ų | 140.2 | 91% | 0.908 | 82% | 0.824 | S | S | * | * | trans | 57.8 | 133.3 | 153.2 | -66.8 | -75.1 | 0 | 0 | 0 | 123.8 | ||||
| 9 | A | 30 | Very low | 33.7 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | 165.2 | 123.4 | 121.2 | 0 | 0 | 0 | 0 | 0 | 108 | |||||
| 10 | M | 31.1 | Very low | 33.6 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 80% | 0.803 | 82% | 0.822 | S | S | * | * | 70.5 | 113.4 | 51.2 | -155.8 | 178.9 | -176.3 | 0 | 0 | 114.8 | |||||
| 11 | Q | 31.1 | Very low | 33.3 | Very low | 175 Ų | 175 | 138 Ų | 138 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | 162.2 | 121.8 | 141.6 | -88.8 | 167.1 | 44.6 | 0 | 0 | 109.6 | ||||
| 12 | H | 28.2 | Very low | 32.9 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | 78.1 | 144.1 | 69.4 | -109.5 | -72.5 | 0 | 0 | 0 | 116.7 | |||||
| 13 | I | 29.6 | Very low | 32.4 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | trans | 107.1 | 103.4 | 162.1 | -57.8 | 158.2 | 0 | 0 | 0 | 113.8 | ||||
| 14 | V | 30 | Very low | 32.3 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | 59 | 111.1 | 75.3 | 179.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 15 | A | 28.5 | Very low | 32.1 | Very low | 97 Ų | 97 | 143.7 Ų | 143.7 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | 179.9 | 129.6 | 139.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 16 | V | 36 | Very low | 32 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -115.9 | 140.8 | 157.4 | 166.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 17 | P | 44.2 | Very low | 31.1 | Very low | 124 Ų | 124 | 143 Ų | 143 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | -151.8 | 174 | 107 | 34.2 | -11.9 | 0 | 0 | 0 | 117.5 | |||||
| 18 | H | 30.5 | Very low | 31.5 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -70.8 | 164.7 | -170.6 | -67.3 | -88.6 | 0 | 0 | 0 | 119.1 | ||||
| 19 | G | 29.5 | Very low | 31.6 | Very low | 69 Ų | 69 | 141.9 Ų | 141.9 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | 154.5 | 101.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 20 | L | 31.2 | Very low | 31.9 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | 79.1 | 122.1 | 87.5 | -107.7 | 157.1 | 0 | 0 | 0 | 116.4 | |||||
| 21 | V | 29.1 | Very low | 32 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | 157.6 | 107.1 | 147.7 | 163.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 22 | R | 28.8 | Very low | 32.2 | Very low | 228 Ų | 228 | 143.7 Ų | 143.7 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | 77.5 | 132.1 | 68.2 | -162.9 | -176.7 | -166.2 | -165.1 | 5.8 | 114.7 | |||||
| 23 | R | 28.2 | Very low | 32.4 | Very low | 236 Ų | 236 | 142.3 Ų | 142.3 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | 92 | 140.5 | 172.7 | -83.1 | -176.3 | 161.9 | 159.1 | -5.3 | 114.8 | ||||
| 24 | S | 27.4 | Very low | 32.5 | Very low | 82 Ų | 82 | 146.5 Ų | 146.5 | 57% | 0.573 | 80% | 0.8 | S | S | * | * | cis | 159.6 | 139 | -15.4 | 50 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 25 | L | 30.9 | Very low | 32.8 | Very low | 156 Ų | 156 | 145.8 Ų | 145.8 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | 69 | 134.3 | 148.1 | -75.5 | 154 | 0 | 0 | 0 | 121 | ||||
| 26 | L | 33.7 | Very low | 33.1 | Very low | 160 Ų | 160 | 149.1 Ų | 149.1 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | 74 | 125.4 | 161.3 | -89 | 83.5 | 0 | 0 | 0 | 118.8 | ||||
| 27 | G | 31.2 | Very low | 33 | Very low | 74 Ų | 74 | 148.5 Ų | 148.5 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -179.7 | 57.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 28 | T | 39.6 | Very low | 32.7 | Very low | 106 Ų | 106 | 148 Ų | 148 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | trans | -73.4 | 117 | 171.6 | -42.3 | 0 | 0 | 0 | 0 | 109 | L30 | T28-L30 HydrophobicContact CG2-CD1 4.21Š| ||
| 29 | D | 34.3 | Very low | 33.2 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -125.1 | 93.4 | 162.2 | -73.4 | -35 | 0 | 0 | 0 | 105.7 | ||||
| 30 | L | 36.3 | Very low | 33.7 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | 52.1 | 54.4 | 53.6 | -120.5 | 150 | 0 | 0 | 0 | 112.7 | T28 M32 | T28-L30 HydrophobicContact CG2-CD1 4.21Å; L30-M32 PolarHBondContact O-N 3.48Å | |||
| 31 | L | 34.2 | Very low | 34.3 | Very low | 173 Ų | 173 | 142 Ų | 142 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -70.1 | 87.8 | 158 | -91.2 | 159.1 | 0 | 0 | 0 | 109.5 | T33 | L31-T33 PolarHBondContact O-N 2.82Š| ||
| 32 | M | 34.2 | Very low | 34.5 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | trans | -43.1 | 108.7 | 165.6 | -161.2 | -172.6 | -176.2 | 0 | 0 | 111 | L30 R34 | L30-M32 PolarHBondContact O-N 3.48Å; M32-R34 PolarHBondContact O-N 3.47Å; M32-R34 VanDerWaalsContact O-N 3.11Å | ||
| 33 | T | 32.8 | Very low | 35.1 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -63 | 106 | 163.7 | 30.9 | 0 | 0 | 0 | 0 | 108.7 | L31 T35 | L31-T33 PolarHBondContact O-N 2.82Å; T33-T35 PolarHBondContact O-N 3.02Å | ||
| 34 | R | 31.1 | Very low | 36.4 | Very low | 234 Ų | 234 | 132.8 Ų | 132.8 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -74.9 | 106 | 173 | -160.1 | 173.2 | -175.8 | 154.1 | -0.2 | 108.7 | M32 | M32-R34 PolarHBondContact O-N 3.47Å; M32-R34 VanDerWaalsContact O-N 3.11Å | ||
| 35 | T | 36.9 | Very low | 36.7 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | -67.7 | 128.9 | 170.8 | 35.7 | 0 | 0 | 0 | 0 | 111 | T33 | T33-T35 PolarHBondContact O-N 3.02Š| ||
| 36 | L | 35.3 | Very low | 37.5 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -129 | 100 | 156.2 | -81.9 | 165.2 | 0 | 0 | 0 | 107.5 | ||||
| 37 | C | 34.2 | Very low | 37.9 | Very low | 115 Ų | 115 | 142 Ų | 142 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -74.6 | 154 | 152.8 | -56.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 38 | S | 37.1 | Very low | 38.4 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | cis | -168.6 | -172.6 | 13.3 | -134 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 39 | P | 41.3 | Very low | 39 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | cis | -129.4 | 161.5 | 10.9 | 37 | -17.6 | 0 | 0 | 0 | 115 | ||||
| 40 | G | 40.6 | Very low | 39.7 | Very low | 67 Ų | 67 | 145 Ų | 145 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -67 | 167.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 41 | P | 42.1 | Very low | 40.3 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | -138.2 | 154.1 | 104 | 37.1 | -24.8 | 0 | 0 | 0 | 115 | |||||
| 42 | S | 34.1 | Very low | 41.2 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | 57.9 | 97.6 | 143.5 | 58.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 43 | Q | 40.9 | Very low | 42.1 | Very low | 188 Ų | 188 | 131 Ų | 131 | 88% | 0.879 | 73% | 0.726 | S | S | * | * | 44.5 | 162.5 | 125 | -115 | -157.7 | 32.8 | 0 | 0 | 122.2 | |||||
| 44 | P | 56 | Low | 43.2 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 71% | 0.708 | 72% | 0.716 | S | S | * | * | -101.2 | 137.1 | -111.9 | 34.3 | -18.2 | 0 | 0 | 0 | 111.9 | |||||
| 45 | R | 34.2 | Very low | 44.6 | Very low | 251 Ų | 251 | 121.3 Ų | 121.3 | 95% | 0.947 | 70% | 0.697 | S | S | * | * | trans | -135 | 105 | 168.2 | -147.4 | 172.3 | -174.4 | 173.9 | 1.1 | 111.8 | ||||
| 46 | E | 48 | Very low | 45.6 | Very low | 163 Ų | 163 | 120.7 Ų | 120.7 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | trans | -39.4 | 143.9 | 160.9 | -138.5 | 178.7 | -177.7 | 0 | 0 | 112.7 | ||||
| 47 | K | 42.6 | Very low | 46.7 | Very low | 178 Ų | 178 | 120.6 Ų | 120.6 | 77% | 0.774 | 68% | 0.678 | S | S | * | * | trans | 85.3 | 105.9 | 163.6 | -54.2 | 176.4 | -176.3 | 177.6 | 0 | 117.6 | ||||
| 48 | R | 40.2 | Very low | 48 | Very low | 187 Ų | 187 | 122.6 Ų | 122.6 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | -165.9 | 113.1 | 93.6 | -130.7 | 175.8 | 178.2 | 160.5 | 1.7 | 111.5 | E50 | R48-E50 HydrophobicContact CG-CB 4.2Å; R48-E50 HydrophobicContact CG-CG 4.27Å; R48-E50 IonicContact CZ-OE2 2.81Å; R48-E50 IonicContact NE-OE1 2.7Å; R48-E50 IonicContact NE-OE2 2.66Å; R48-E50 PolarHBondContact NE-OE2 3.25Å; R48-E50 IonicContact NH2-OE2 3.37Å; R48-E50 PolarHBondContact NH2-OE2 3.02Å; R48-E50 PolarHBondContact O-N 3.29Å; R48-E50 VanDerWaalsContact O-N 3.14Å | |||
| 49 | P | 52.2 | Low | 49.3 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 69% | 0.688 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67 | -6.7 | 173.5 | 25.5 | -31.4 | 0 | 0 | 0 | 113.8 | A53 | P49-A53 WeakPolarHBondContact O-CB 3.46Å; P49-A53 PolarHBondContact O-N 3.1Å |
| 50 | E | 50.2 | Low | 50.6 | Low | 106 Ų | 106 | 125 Ų | 125 | 50% | 0.495 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -75.1 | -32.4 | -174.5 | -65.4 | 169.3 | -160.8 | 0 | 0 | 113.5 | R48 L54 | R48-E50 HydrophobicContact CG-CB 4.2Å; R48-E50 HydrophobicContact CG-CG 4.27Å; R48-E50 IonicContact CZ-OE2 2.81Å; R48-E50 IonicContact NE-OE1 2.7Å; R48-E50 IonicContact NE-OE2 2.66Å; R48-E50 PolarHBondContact NE-OE2 3.25Å; R48-E50 IonicContact NH2-OE2 3.37Å; R48-E50 PolarHBondContact NH2-OE2 3.02Å; R48-E50 PolarHBondContact O-N 3.29Å; R48-E50 VanDerWaalsContact O-N 3.14Å; E50-L54 WeakPolarHBondContact O-CD1 3.26Å; E50-L54 WeakPolarHBondContact O-CG 3.45Å; E50-L54 PolarHBondContact O-N 3.07Å; E50-L54 VanDerWaalsContact O-N 3.07Å |
| 51 | A | 48.9 | Very low | 52 | Low | 75 Ų | 75 | 124.9 Ų | 124.9 | 62% | 0.62 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -78 | -32.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G55 | A51-G55 PolarHBondContact O-N 3.17Å |
| 52 | A | 52.2 | Low | 53.3 | Low | 66 Ų | 66 | 121.6 Ų | 121.6 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72 | -36.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G55 L56 | A52-G55 PolarHBondContact O-N 3.38Å; A52-L56 WeakPolarHBondContact O-CG 3.45Å; A52-L56 PolarHBondContact O-N 3.09Å; A52-L56 VanDerWaalsContact O-N 3.16Å |
| 53 | A | 53.3 | Low | 55.2 | Low | 36 Ų | 36 | 121.2 Ų | 121.2 | 30% | 0.298 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.9 | -46.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P49 G55 L56 Y57 | P49-A53 WeakPolarHBondContact O-CB 3.46Å; P49-A53 PolarHBondContact O-N 3.1Å; A53-G55 VanDerWaalsContact C-N 3.33Å; A53-G55 PolarHBondContact O-N 3.31Å; A53-L56 WeakPolarHBondContact O-CB 3.48Å; A53-L56 PolarHBondContact O-N 3.36Å; A53-L56 VanDerWaalsContact O-N 3.11Å; A53-Y57 HydrophobicContact CB-CD2 4.49Å; A53-Y57 HydrophobicContact CB-CE2 4.36Å; A53-Y57 WeakPolarHBondContact O-CD2 3.32Å; A53-Y57 PolarHBondContact O-N 3.12Å |
| 54 | L | 56.8 | Low | 56.6 | Low | 111 Ų | 111 | 114.4 Ų | 114.4 | 58% | 0.581 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.9 | -37.4 | 177.9 | -78.7 | 161.9 | 0 | 0 | 0 | 113.3 | E50 Y57 H58 | E50-L54 WeakPolarHBondContact O-CD1 3.26Å; E50-L54 WeakPolarHBondContact O-CG 3.45Å; E50-L54 PolarHBondContact O-N 3.07Å; E50-L54 VanDerWaalsContact O-N 3.07Å; L54-Y57 PolarHBondContact O-N 2.91Å; L54-H58 PolarHBondContact O-N 3.42Å |
| 55 | G | 59.1 | Low | 57.4 | Low | 48 Ų | 48 | 117.4 Ų | 117.4 | 50% | 0.495 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.5 | -34.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A51 A52 A53 R59 | A51-G55 PolarHBondContact O-N 3.17Å; A52-G55 PolarHBondContact O-N 3.38Å; A53-G55 VanDerWaalsContact C-N 3.33Å; A53-G55 PolarHBondContact O-N 3.31Å; G55-R59 WeakPolarHBondContact O-CB 3.48Å; G55-R59 PolarHBondContact O-N 3.08Å |
| 56 | L | 58.8 | Low | 59.2 | Low | 106 Ų | 106 | 108.5 Ų | 108.5 | 56% | 0.555 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.2 | -39.8 | 174.2 | -77 | 162.9 | 0 | 0 | 0 | 111.8 | A52 A53 H58 R59 L60 | A52-L56 WeakPolarHBondContact O-CG 3.45Å; A52-L56 PolarHBondContact O-N 3.09Å; A52-L56 VanDerWaalsContact O-N 3.16Å; A53-L56 WeakPolarHBondContact O-CB 3.48Å; A53-L56 PolarHBondContact O-N 3.36Å; A53-L56 VanDerWaalsContact O-N 3.11Å; L56-H58 VanDerWaalsContact C-N 3.31Å; L56-H58 PolarHBondContact O-N 3.02Å; L56-R59 PolarHBondContact O-N 3.47Å; L56-R59 VanDerWaalsContact O-N 3.1Å; L56-L60 WeakPolarHBondContact O-CB 3.42Å; L56-L60 WeakPolarHBondContact O-CD1 3.42Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 3.47Å |
| 57 | Y | 58.2 | Low | 60.3 | Low | 164 Ų | 164 | 105.2 Ų | 105.2 | 64% | 0.643 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.8 | -34.2 | 178.2 | -84.8 | -71.1 | 0 | 0 | 0 | 113.7 | A53 L54 P61 | A53-Y57 HydrophobicContact CB-CD2 4.49Å; A53-Y57 HydrophobicContact CB-CE2 4.36Å; A53-Y57 WeakPolarHBondContact O-CD2 3.32Å; A53-Y57 PolarHBondContact O-N 3.12Å; L54-Y57 PolarHBondContact O-N 2.91Å; Y57-P61 WeakPolarHBondContact O-CD 3.32Å |
| 58 | H | 62.4 | Low | 61.6 | Low | 156 Ų | 156 | 98.3 Ų | 98.3 | 72% | 0.722 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -81.6 | -24.1 | 174.1 | -84.8 | -67.9 | 0 | 0 | 0 | 113.8 | L54 L56 P61 | L54-H58 PolarHBondContact O-N 3.42Å; L56-H58 VanDerWaalsContact C-N 3.31Å; L56-H58 PolarHBondContact O-N 3.02Å; H58-P61 WeakPolarHBondContact O-CD 3.39Å; H58-P61 WeakPolarHBondContact O-CG 3.49Å |
| 59 | R | 63.4 | Low | 63.1 | Low | 175 Ų | 175 | 94.7 Ų | 94.7 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -82.2 | -31 | -180 | -152 | 176.9 | -166 | -171.2 | 3.7 | 112.7 | G55 L56 A62 L63 | G55-R59 WeakPolarHBondContact O-CB 3.48Å; G55-R59 PolarHBondContact O-N 3.08Å; L56-R59 PolarHBondContact O-N 3.47Å; L56-R59 VanDerWaalsContact O-N 3.1Å; R59-A62 PolarHBondContact O-N 3.42Å; R59-L63 HydrophobicContact CG-CD1 4.03Å; R59-L63 PolarHBondContact O-N 3.42Å |
| 60 | L | 67.8 | Low | 64 | Low | 109 Ų | 109 | 92.3 Ų | 92.3 | 57% | 0.571 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -54.9 | -49.9 | 174.5 | -86.7 | 152.8 | 0 | 0 | 0 | 114.2 | L56 A62 L63 G64 | L56-L60 WeakPolarHBondContact O-CB 3.42Å; L56-L60 WeakPolarHBondContact O-CD1 3.42Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 3.47Å; L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 2.98Å; L60-L63 PolarHBondContact O-N 2.92Å; L60-G64 PolarHBondContact O-N 3.39Å |
| 61 | P | 70.1 | Confident | 65 | Low | 64 Ų | 64 | 92.2 Ų | 92.2 | 42% | 0.416 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.4 | -24.3 | 178.2 | 24.1 | -31.7 | 0 | 0 | 0 | 113.3 | Y57 H58 R65 | Y57-P61 WeakPolarHBondContact O-CD 3.32Å; H58-P61 WeakPolarHBondContact O-CD 3.39Å; H58-P61 WeakPolarHBondContact O-CG 3.49Å; P61-R65 WeakPolarHBondContact O-CB 3.45Å; P61-R65 VanDerWaalsContact O-CG 3.3Å; P61-R65 WeakPolarHBondContact O-CG 3.38Å; P61-R65 PolarHBondContact O-N 2.84Å; P61-R65 VanDerWaalsContact O-N 3.12Å; P61-R65 PolarHBondContact O-NE 2.92Å |
| 62 | A | 69.6 | Low | 66.1 | Low | 50 Ų | 50 | 94.2 Ų | 94.2 | 41% | 0.413 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.4 | -44 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R59 L60 R65 A66 | R59-A62 PolarHBondContact O-N 3.42Å; L60-A62 VanDerWaalsContact C-N 3.33Å; L60-A62 PolarHBondContact O-N 2.98Å; A62-R65 PolarHBondContact O-N 3.31Å; A62-A66 PolarHBondContact O-N 3.36Å; A62-A66 VanDerWaalsContact O-N 3.13Å |
| 63 | L | 74.1 | Confident | 67.1 | Low | 98 Ų | 98 | 97.5 Ų | 97.5 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 173.1 | -108.2 | 106.9 | 0 | 0 | 0 | 112.1 | R59 L60 R65 A66 L67 | R59-L63 HydrophobicContact CG-CD1 4.03Å; R59-L63 PolarHBondContact O-N 3.42Å; L60-L63 PolarHBondContact O-N 2.92Å; L63-R65 VanDerWaalsContact C-N 3.34Å; L63-R65 PolarHBondContact O-N 3.42Å; L63-A66 PolarHBondContact O-N 3.05Å; L63-L67 HydrophobicContact CD2-CD1 4.33Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 PolarHBondContact O-N 3.02Å |
| 64 | G | 70.7 | Confident | 68 | Low | 44 Ų | 44 | 102.1 Ų | 102.1 | 45% | 0.454 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L60 G68 | L60-G64 PolarHBondContact O-N 3.39Å; G64-G68 WeakPolarHBondContact O-CA 3.39Å; G64-G68 PolarHBondContact O-N 3.37Å |
| 65 | R | 73.8 | Confident | 68.6 | Low | 173 Ų | 173 | 99.1 Ų | 99.1 | 65% | 0.653 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69 | -41.1 | 173.2 | -77.3 | -175.5 | -72.3 | -171.5 | 1.5 | 112.4 | P61 A62 L63 G68 H69 | P61-R65 WeakPolarHBondContact O-CB 3.45Å; P61-R65 VanDerWaalsContact O-CG 3.3Å; P61-R65 WeakPolarHBondContact O-CG 3.38Å; P61-R65 PolarHBondContact O-N 2.84Å; P61-R65 VanDerWaalsContact O-N 3.12Å; P61-R65 PolarHBondContact O-NE 2.92Å; A62-R65 PolarHBondContact O-N 3.31Å; L63-R65 VanDerWaalsContact C-N 3.34Å; L63-R65 PolarHBondContact O-N 3.42Å; R65-G68 PolarHBondContact O-N 3.03Å; R65-H69 PolarHBondContact O-CD2 3.16Å; R65-H69 PolarHBondContact O-N 3.39Å |
| 66 | A | 71.4 | Confident | 69.3 | Low | 64 Ų | 64 | 100.7 Ų | 100.7 | 53% | 0.529 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A62 L63 H69 S70 | A62-A66 PolarHBondContact O-N 3.36Å; A62-A66 VanDerWaalsContact O-N 3.13Å; L63-A66 PolarHBondContact O-N 3.05Å; A66-H69 PolarHBondContact O-N 2.82Å; A66-S70 PolarHBondContact O-N 3.45Å; A66-S70 VanDerWaalsContact O-N 3.11Å; A66-S70 PolarHBondContact O-OG 2.83Å |
| 67 | L | 70.5 | Confident | 70 | Confident | 93 Ų | 93 | 98.9 Ų | 98.9 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 173.4 | -88.9 | 151.5 | 0 | 0 | 0 | 112.1 | L63 S70 I71 | L63-L67 HydrophobicContact CD2-CD1 4.33Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 PolarHBondContact O-N 3.02Å; L67-S70 WeakPolarHBondContact CA-OG 3.42Å; L67-S70 PolarHBondContact O-N 2.97Å; L67-S70 PolarHBondContact O-OG 2.81Å; L67-I71 WeakPolarHBondContact O-CB 3.42Å; L67-I71 WeakPolarHBondContact O-CD1 3.4Å; L67-I71 WeakPolarHBondContact O-CG1 3.33Å; L67-I71 PolarHBondContact O-N 3.17Å |
| 68 | G | 70.6 | Confident | 70.8 | Confident | 33 Ų | 33 | 94.3 Ų | 94.3 | 34% | 0.34 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | G64 R65 I71 Q72 | G64-G68 WeakPolarHBondContact O-CA 3.39Å; G64-G68 PolarHBondContact O-N 3.37Å; R65-G68 PolarHBondContact O-N 3.03Å; G68-I71 PolarHBondContact O-N 3.04Å; G68-Q72 WeakPolarHBondContact O-CB 3.33Å; G68-Q72 PolarHBondContact O-N 3.24Å |
| 69 | H | 71.3 | Confident | 71.2 | Confident | 112 Ų | 112 | 89.7 Ų | 89.7 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -41 | 176.5 | -81.3 | -63.3 | 0 | 0 | 0 | 112.7 | R65 A66 Q72 Q73 | R65-H69 PolarHBondContact O-CD2 3.16Å; R65-H69 PolarHBondContact O-N 3.39Å; A66-H69 PolarHBondContact O-N 2.82Å; H69-Q72 PolarHBondContact O-N 3.17Å; H69-Q73 WeakPolarHBondContact O-CB 3.5Å; H69-Q73 VanDerWaalsContact O-CG 3.26Å; H69-Q73 WeakPolarHBondContact O-CG 3.31Å; H69-Q73 PolarHBondContact O-N 2.84Å |
| 70 | S | 71.1 | Confident | 71.9 | Confident | 55 Ų | 55 | 88 Ų | 88 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 177.3 | 59.1 | 0 | 0 | 0 | 0 | 112.2 | A66 L67 Q73 Q74 | A66-S70 PolarHBondContact O-N 3.45Å; A66-S70 VanDerWaalsContact O-N 3.11Å; A66-S70 PolarHBondContact O-OG 2.83Å; L67-S70 WeakPolarHBondContact CA-OG 3.42Å; L67-S70 PolarHBondContact O-N 2.97Å; L67-S70 PolarHBondContact O-OG 2.81Å; S70-Q73 PolarHBondContact O-N 3.41Å; S70-Q74 VanDerWaalsContact O-CB 3.28Å; S70-Q74 WeakPolarHBondContact O-CB 3.43Å; S70-Q74 PolarHBondContact O-N 3.39Å |
| 71 | I | 70.2 | Confident | 72.2 | Confident | 104 Ų | 104 | 84.9 Ų | 84.9 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 177.1 | -67.6 | 167 | 0 | 0 | 0 | 110.3 | L67 G68 Q74 A75 | L67-I71 WeakPolarHBondContact O-CB 3.42Å; L67-I71 WeakPolarHBondContact O-CD1 3.4Å; L67-I71 WeakPolarHBondContact O-CG1 3.33Å; L67-I71 PolarHBondContact O-N 3.17Å; G68-I71 PolarHBondContact O-N 3.04Å; I71-Q74 PolarHBondContact O-N 3.3Å; I71-A75 WeakPolarHBondContact O-CB 3.43Å; I71-A75 PolarHBondContact O-N 3.45Å |
| 72 | Q | 72.5 | Confident | 72.4 | Confident | 118 Ų | 118 | 91 Ų | 91 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66 | -39.9 | 177.4 | -173.8 | -179.9 | -12.9 | 0 | 0 | 111.7 | G68 H69 T76 | G68-Q72 WeakPolarHBondContact O-CB 3.33Å; G68-Q72 PolarHBondContact O-N 3.24Å; H69-Q72 PolarHBondContact O-N 3.17Å; Q72-T76 HydrophobicContact CG-CG2 4.45Å; Q72-T76 VanDerWaalsContact O-CB 3.32Å; Q72-T76 WeakPolarHBondContact O-CB 3.47Å; Q72-T76 WeakPolarHBondContact O-CG2 3.36Å; Q72-T76 PolarHBondContact O-N 3.32Å; Q72-T76 PolarHBondContact O-OG1 3.12Å |
| 73 | Q | 73.1 | Confident | 72.7 | Confident | 134 Ų | 134 | 96 Ų | 96 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68 | -39.7 | 175.2 | -75.1 | 177.5 | -15.5 | 0 | 0 | 111.7 | H69 S70 T76 S77 | H69-Q73 WeakPolarHBondContact O-CB 3.5Å; H69-Q73 VanDerWaalsContact O-CG 3.26Å; H69-Q73 WeakPolarHBondContact O-CG 3.31Å; H69-Q73 PolarHBondContact O-N 2.84Å; S70-Q73 PolarHBondContact O-N 3.41Å; Q73-T76 WeakPolarHBondContact CA-OG1 3.45Å; Q73-T76 PolarHBondContact O-OG1 3.42Å; Q73-T76 VanDerWaalsContact O-OG1 3.13Å; Q73-S77 WeakPolarHBondContact O-CB 3.49Å; Q73-S77 PolarHBondContact O-N 2.92Å; Q73-S77 PolarHBondContact O-OG 3.1Å |
| 74 | Q | 72.8 | Confident | 72.6 | Confident | 134 Ų | 134 | 95 Ų | 95 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.4 | -36.3 | 177.4 | -165.2 | 166.2 | -10.4 | 0 | 0 | 111.9 | S70 I71 S77 T78 | S70-Q74 VanDerWaalsContact O-CB 3.28Å; S70-Q74 WeakPolarHBondContact O-CB 3.43Å; S70-Q74 PolarHBondContact O-N 3.39Å; I71-Q74 PolarHBondContact O-N 3.3Å; Q74-S77 WeakPolarHBondContact CA-OG 3.36Å; Q74-S77 PolarHBondContact O-OG 3.02Å; Q74-S77 VanDerWaalsContact O-OG 3.08Å; Q74-T78 WeakPolarHBondContact O-CB 3.36Å; Q74-T78 VanDerWaalsContact O-CG2 3.25Å; Q74-T78 WeakPolarHBondContact O-CG2 3.36Å; Q74-T78 PolarHBondContact O-N 2.66Å; Q74-T78 PolarHBondContact O-OG1 3.45Å |
| 75 | A | 70.2 | Confident | 72.7 | Confident | 48 Ų | 48 | 101.4 Ų | 101.4 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.3 | -39.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | I71 T78 A79 | I71-A75 WeakPolarHBondContact O-CB 3.43Å; I71-A75 PolarHBondContact O-N 3.45Å; A75-T78 WeakPolarHBondContact CA-OG1 3.47Å; A75-T78 PolarHBondContact O-OG1 3.06Å; A75-T78 VanDerWaalsContact O-OG1 3.11Å; A75-A79 WeakPolarHBondContact O-CB 3.47Å; A75-A79 PolarHBondContact O-N 3.2Å |
| 76 | T | 73.6 | Confident | 72.4 | Confident | 81 Ų | 81 | 96.7 Ų | 96.7 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.1 | -38.1 | 178.7 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | Q72 Q73 K80 | Q72-T76 HydrophobicContact CG-CG2 4.45Å; Q72-T76 VanDerWaalsContact O-CB 3.32Å; Q72-T76 WeakPolarHBondContact O-CB 3.47Å; Q72-T76 WeakPolarHBondContact O-CG2 3.36Å; Q72-T76 PolarHBondContact O-N 3.32Å; Q72-T76 PolarHBondContact O-OG1 3.12Å; Q73-T76 WeakPolarHBondContact CA-OG1 3.45Å; Q73-T76 PolarHBondContact O-OG1 3.42Å; Q73-T76 VanDerWaalsContact O-OG1 3.13Å; T76-K80 WeakPolarHBondContact O-CB 3.44Å; T76-K80 PolarHBondContact O-N 3.5Å |
| 77 | S | 73.8 | Confident | 72.1 | Confident | 68 Ų | 68 | 96.6 Ų | 96.6 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 174.5 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | Q73 Q74 K80 A81 | Q73-S77 WeakPolarHBondContact O-CB 3.49Å; Q73-S77 PolarHBondContact O-N 2.92Å; Q73-S77 PolarHBondContact O-OG 3.1Å; Q74-S77 WeakPolarHBondContact CA-OG 3.36Å; Q74-S77 PolarHBondContact O-OG 3.02Å; Q74-S77 VanDerWaalsContact O-OG 3.08Å; S77-K80 PolarHBondContact O-N 3.37Å; S77-A81 WeakPolarHBondContact O-CB 3.29Å; S77-A81 PolarHBondContact O-N 2.87Å |
| 78 | T | 74.1 | Confident | 72 | Confident | 68 Ų | 68 | 98.9 Ų | 98.9 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.4 | -45 | 173.4 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | Q74 A75 K80 A81 W82 | Q74-T78 WeakPolarHBondContact O-CB 3.36Å; Q74-T78 VanDerWaalsContact O-CG2 3.25Å; Q74-T78 WeakPolarHBondContact O-CG2 3.36Å; Q74-T78 PolarHBondContact O-N 2.66Å; Q74-T78 PolarHBondContact O-OG1 3.45Å; A75-T78 WeakPolarHBondContact CA-OG1 3.47Å; A75-T78 PolarHBondContact O-OG1 3.06Å; A75-T78 VanDerWaalsContact O-OG1 3.11Å; T78-K80 VanDerWaalsContact C-N 3.28Å; T78-K80 PolarHBondContact O-N 3.07Å; T78-A81 PolarHBondContact O-N 3.27Å; T78-A81 VanDerWaalsContact O-N 3.16Å; T78-W82 WeakPolarHBondContact O-CB 3.28Å; T78-W82 PolarHBondContact O-N 2.81Å |
| 79 | A | 71.4 | Confident | 71.4 | Confident | 59 Ų | 59 | 101.8 Ų | 101.8 | 49% | 0.488 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A75 W82 W83 | A75-A79 WeakPolarHBondContact O-CB 3.47Å; A75-A79 PolarHBondContact O-N 3.2Å; A79-W82 PolarHBondContact O-N 3.49Å; A79-W83 VanDerWaalsContact O-CB 3.26Å; A79-W83 WeakPolarHBondContact O-CB 3.42Å; A79-W83 PolarHBondContact O-N 3.06Å |
| 80 | K | 76.8 | Confident | 70.9 | Confident | 138 Ų | 138 | 97.9 Ų | 97.9 | 60% | 0.6 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.4 | -46.6 | 174.5 | -172.6 | 170.3 | -178.7 | 166.5 | 0 | 111.6 | T76 S77 T78 W82 W83 D84 | T76-K80 WeakPolarHBondContact O-CB 3.44Å; T76-K80 PolarHBondContact O-N 3.5Å; S77-K80 PolarHBondContact O-N 3.37Å; T78-K80 VanDerWaalsContact C-N 3.28Å; T78-K80 PolarHBondContact O-N 3.07Å; K80-W82 VanDerWaalsContact C-N 3.29Å; K80-W82 PolarHBondContact O-N 2.66Å; K80-W83 CarbonylContact O-C 3.58Å; K80-W83 WeakPolarHBondContact O-CB 3.48Å; K80-W83 PolarHBondContact O-N 2.84Å; K80-W83 VanDerWaalsContact O-N 3.1Å; K80-D84 WeakPolarHBondContact O-CB 3.46Å; K80-D84 PolarHBondContact O-N 2.98Å |
| 81 | A | 75.8 | Confident | 70.5 | Confident | 44 Ų | 44 | 95.4 Ų | 95.4 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63 | -33.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S77 T78 R85 | S77-A81 WeakPolarHBondContact O-CB 3.29Å; S77-A81 PolarHBondContact O-N 2.87Å; T78-A81 PolarHBondContact O-N 3.27Å; T78-A81 VanDerWaalsContact O-N 3.16Å; A81-R85 WeakPolarHBondContact O-CB 3.45Å; A81-R85 WeakPolarHBondContact O-CG 3.33Å; A81-R85 PolarHBondContact O-N 3.4Å; A81-R85 VanDerWaalsContact O-N 3.14Å |
| 82 | W | 74.4 | Confident | 70.2 | Confident | 192 Ų | 192 | 94.3 Ų | 94.3 | 73% | 0.727 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -70.7 | -38.7 | 172.4 | -86.1 | 78.8 | 0 | 0 | 0 | 111.8 | T78 A79 K80 Y86 | T78-W82 WeakPolarHBondContact O-CB 3.28Å; T78-W82 PolarHBondContact O-N 2.81Å; A79-W82 PolarHBondContact O-N 3.49Å; K80-W82 VanDerWaalsContact C-N 3.29Å; K80-W82 PolarHBondContact O-N 2.66Å; W82-Y86 VanDerWaalsContact O-CB 3.3Å; W82-Y86 WeakPolarHBondContact O-CB 3.44Å; W82-Y86 PolarHBondContact O-N 2.9Å |
| 83 | W | 74.7 | Confident | 69.8 | Low | 157 Ų | 157 | 92.7 Ų | 92.7 | 60% | 0.595 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66.9 | -43.1 | 175.4 | -169 | -93.7 | 0 | 0 | 0 | 111.9 | A79 K80 R85 Y86 E87 | A79-W83 VanDerWaalsContact O-CB 3.26Å; A79-W83 WeakPolarHBondContact O-CB 3.42Å; A79-W83 PolarHBondContact O-N 3.06Å; K80-W83 CarbonylContact O-C 3.58Å; K80-W83 WeakPolarHBondContact O-CB 3.48Å; K80-W83 PolarHBondContact O-N 2.84Å; K80-W83 VanDerWaalsContact O-N 3.1Å; W83-R85 PolarHBondContact O-N 2.87Å; W83-Y86 HydrophobicContact CD2-CD1 4.46Å; W83-Y86 HydrophobicContact CE3-CD1 4.37Å; W83-Y86 HydrophobicContact CH2-CE1 4.22Å; W83-Y86 HydrophobicContact CZ2-CE1 4.42Å; W83-Y86 HydrophobicContact CZ3-CD1 4.4Å; W83-Y86 HydrophobicContact CZ3-CE1 4.42Å; W83-Y86 CarbonylContact O-C 3.59Å; W83-Y86 WeakPolarHBondContact O-CB 3.39Å; W83-Y86 PolarHBondContact O-N 3.45Å; W83-E87 VanDerWaalsContact O-CB 3.3Å; W83-E87 WeakPolarHBondContact O-CB 3.48Å; W83-E87 PolarHBondContact O-N 3.34Å |
| 84 | D | 71.7 | Confident | 69.6 | Low | 75 Ų | 75 | 89.7 Ų | 89.7 | 40% | 0.401 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 177 | -64.2 | -21.6 | 0 | 0 | 0 | 110.4 | K80 E87 E88 | K80-D84 WeakPolarHBondContact O-CB 3.46Å; K80-D84 PolarHBondContact O-N 2.98Å; D84-E87 PolarHBondContact O-N 3.3Å; D84-E88 WeakPolarHBondContact O-CB 3.27Å; D84-E88 PolarHBondContact O-N 2.88Å |
| 85 | R | 72.9 | Confident | 69.3 | Low | 179 Ų | 179 | 83.6 Ų | 83.6 | 68% | 0.675 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66.3 | -35.3 | 173.4 | -82.3 | 173.5 | 173 | 167 | -1.1 | 113.2 | A81 W83 F89 | A81-R85 WeakPolarHBondContact O-CB 3.45Å; A81-R85 WeakPolarHBondContact O-CG 3.33Å; A81-R85 PolarHBondContact O-N 3.4Å; A81-R85 VanDerWaalsContact O-N 3.14Å; W83-R85 PolarHBondContact O-N 2.87Å; R85-F89 WeakPolarHBondContact O-CB 3.46Å; R85-F89 PolarHBondContact O-N 3.34Å |
| 86 | Y | 67 | Low | 69.5 | Low | 75 Ų | 75 | 90.2 Ų | 90.2 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 172.1 | 164.4 | -89.3 | 0 | 0 | 0 | 110.5 | W82 W83 F89 V90 W203 | W82-Y86 VanDerWaalsContact O-CB 3.3Å; W82-Y86 WeakPolarHBondContact O-CB 3.44Å; W82-Y86 PolarHBondContact O-N 2.9Å; W83-Y86 HydrophobicContact CD2-CD1 4.46Å; W83-Y86 HydrophobicContact CE3-CD1 4.37Å; W83-Y86 HydrophobicContact CH2-CE1 4.22Å; W83-Y86 HydrophobicContact CZ2-CE1 4.42Å; W83-Y86 HydrophobicContact CZ3-CD1 4.4Å; W83-Y86 HydrophobicContact CZ3-CE1 4.42Å; W83-Y86 CarbonylContact O-C 3.59Å; W83-Y86 WeakPolarHBondContact O-CB 3.39Å; W83-Y86 PolarHBondContact O-N 3.45Å; Y86-F89 PolarHBondContact O-N 2.87Å; Y86-V90 HydrophobicContact CD1-CG2 4.27Å; Y86-V90 HydrophobicContact CD2-CG2 3.87Å; Y86-V90 HydrophobicContact CE1-CG2 4Å; Y86-V90 HydrophobicContact CE2-CG2 3.56Å; Y86-V90 HydrophobicContact CG-CG2 4.2Å; Y86-V90 VanDerWaalsContact O-CB 3.29Å; Y86-V90 WeakPolarHBondContact O-CB 3.44Å; Y86-V90 WeakPolarHBondContact O-CG2 3.46Å; Y86-V90 PolarHBondContact O-N 3.41Å; Y86-W203 AromaticContact CD2-CH2 3.29Å; Y86-W203 HydrophobicContact CD2-CH2 3.29Å; Y86-W203 AromaticContact CD2-CZ2 3.11Å; Y86-W203 HydrophobicContact CD2-CZ2 3.11Å; Y86-W203 HydrophobicContact CD2-CZ3 4.35Å; Y86-W203 HydrophobicContact CE2-CD2 4.38Å; Y86-W203 AromaticContact CE2-CE2 3.69Å; Y86-W203 HydrophobicContact CE2-CE3 4.35Å; Y86-W203 AromaticContact CE2-CH2 3.06Å; Y86-W203 HydrophobicContact CE2-CH2 3.06Å; Y86-W203 AromaticContact CE2-CZ2 3.02Å; Y86-W203 HydrophobicContact CE2-CZ2 3.02Å; Y86-W203 AromaticContact CE2-CZ3 3.71Å; Y86-W203 HydrophobicContact CE2-CZ3 3.71Å; Y86-W203 HydrophobicContact CG-CZ2 4.42Å |
| 87 | E | 66.8 | Low | 69.8 | Low | 62 Ų | 62 | 91.6 Ų | 91.6 | 29% | 0.29 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.4 | -40.1 | -178 | -172.9 | 165.6 | -168.3 | 0 | 0 | 112.1 | W83 D84 G91 N93 | W83-E87 VanDerWaalsContact O-CB 3.3Å; W83-E87 WeakPolarHBondContact O-CB 3.48Å; W83-E87 PolarHBondContact O-N 3.34Å; D84-E87 PolarHBondContact O-N 3.3Å; E87-G91 PolarHBondContact O-N 3.37Å; E87-N93 HydrophobicContact CG-CB 4.25Å |
| 88 | E | 67.4 | Low | 69.9 | Low | 140 Ų | 140 | 88.5 Ų | 88.5 | 65% | 0.654 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.4 | -46.3 | 170.5 | -173.3 | 176.4 | -172.4 | 0 | 0 | 111.3 | D84 G91 | D84-E88 WeakPolarHBondContact O-CB 3.27Å; D84-E88 PolarHBondContact O-N 2.88Å; E88-G91 PolarHBondContact O-N 2.98Å |
| 89 | F | 58.2 | Low | 70.3 | Confident | 94 Ų | 94 | 90.4 Ų | 90.4 | 41% | 0.412 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -70.1 | -34.3 | -179.1 | -177.2 | -101.7 | 0 | 0 | 0 | 113.8 | R85 Y86 G91 W203 I206 | R85-F89 WeakPolarHBondContact O-CB 3.46Å; R85-F89 PolarHBondContact O-N 3.34Å; Y86-F89 PolarHBondContact O-N 2.87Å; F89-G91 VanDerWaalsContact C-N 3.26Å; F89-W203 AromaticContact CD1-NE1 3.74Å; F89-W203 AromaticContact CE1-NE1 3.8Å; F89-I206 HydrophobicContact CE1-CD1 4.07Å; F89-I206 HydrophobicContact CZ-CD1 4.39Å |
| 90 | V | 60.3 | Low | 70.9 | Confident | 30 Ų | 30 | 89 Ų | 89 | 18% | 0.182 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -75.7 | -17.4 | 176.7 | 177.3 | 0 | 0 | 0 | 0 | 111.2 | Y86 L92 W203 | Y86-V90 HydrophobicContact CD1-CG2 4.27Å; Y86-V90 HydrophobicContact CD2-CG2 3.87Å; Y86-V90 HydrophobicContact CE1-CG2 4Å; Y86-V90 HydrophobicContact CE2-CG2 3.56Å; Y86-V90 HydrophobicContact CG-CG2 4.2Å; Y86-V90 VanDerWaalsContact O-CB 3.29Å; Y86-V90 WeakPolarHBondContact O-CB 3.44Å; Y86-V90 WeakPolarHBondContact O-CG2 3.46Å; Y86-V90 PolarHBondContact O-N 3.41Å; V90-L92 HydrophobicContact CB-CD1 4.3Å; V90-L92 HydrophobicContact CG1-CB 4.38Å; V90-L92 HydrophobicContact CG1-CD1 3.46Å; V90-L92 VanDerWaalsContact CG1-CD1 3.46Å; V90-L92 HydrophobicContact CG1-CG 3.77Å; V90-L92 PolarHBondContact O-N 3.24Å; V90-W203 HydrophobicContact CG2-CZ2 4.08Å; V90-W203 VanDerWaalsContact CG2-NE1 3.33Å |
| 91 | G | 62.4 | Low | 71.4 | Confident | 3 Ų | 3 | 85.6 Ų | 85.6 | 3% | 0.031 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 21.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E87 E88 F89 N93 V95 | E87-G91 PolarHBondContact O-N 3.37Å; E88-G91 PolarHBondContact O-N 2.98Å; F89-G91 VanDerWaalsContact C-N 3.26Å; G91-N93 VanDerWaalsContact C-N 3.29Å; G91-V95 PolarHBondContact O-N 3.38Å |
| 92 | L | 64.1 | Low | 72.1 | Confident | 81 Ų | 81 | 84.6 Ų | 84.6 | 42% | 0.424 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 174.4 | -94.7 | 155.4 | 0 | 0 | 0 | 110.3 | V90 R96 | V90-L92 HydrophobicContact CB-CD1 4.3Å; V90-L92 HydrophobicContact CG1-CB 4.38Å; V90-L92 HydrophobicContact CG1-CD1 3.46Å; V90-L92 VanDerWaalsContact CG1-CD1 3.46Å; V90-L92 HydrophobicContact CG1-CG 3.77Å; V90-L92 PolarHBondContact O-N 3.24Å; L92-R96 WeakPolarHBondContact O-CB 3.32Å; L92-R96 PolarHBondContact O-N 3.22Å; L92-R96 VanDerWaalsContact O-N 3.07Å |
| 93 | N | 65.1 | Low | 72.9 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.4 | -43.1 | -179.8 | -153.2 | 23.6 | 0 | 0 | 0 | 111.9 | E87 G91 V95 R96 E97 | E87-N93 HydrophobicContact CG-CB 4.25Å; G91-N93 VanDerWaalsContact C-N 3.29Å; N93-V95 VanDerWaalsContact C-N 3.29Å; N93-V95 PolarHBondContact O-N 2.89Å; N93-R96 CarbonylContact O-C 3.6Å; N93-R96 PolarHBondContact O-N 3.07Å; N93-R96 VanDerWaalsContact O-N 3.12Å; N93-E97 VanDerWaalsContact O-CB 3.23Å; N93-E97 WeakPolarHBondContact O-CB 3.45Å; N93-E97 PolarHBondContact O-N 3.05Å |
| 94 | E | 69.1 | Low | 73.8 | Confident | 72 Ų | 72 | 77 Ų | 77 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | -180 | -62.9 | -178.6 | 173.7 | 0 | 0 | 113 | A98 | E94-A98 VanDerWaalsContact O-CB 3.28Å; E94-A98 WeakPolarHBondContact O-CB 3.28Å; E94-A98 PolarHBondContact O-N 3.25Å |
| 95 | V | 66.8 | Low | 74.7 | Confident | 6 Ų | 6 | 74.4 Ų | 74.4 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -80.3 | -33.3 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | G91 N93 E97 A98 Q99 K192 R196 | G91-V95 PolarHBondContact O-N 3.38Å; N93-V95 VanDerWaalsContact C-N 3.29Å; N93-V95 PolarHBondContact O-N 2.89Å; V95-E97 VanDerWaalsContact C-N 3.29Å; V95-A98 PolarHBondContact O-N 3.04Å; V95-Q99 HydrophobicContact CG1-CG 4.31Å; V95-Q99 VanDerWaalsContact O-CB 3.26Å; V95-Q99 WeakPolarHBondContact O-CB 3.16Å; V95-Q99 WeakPolarHBondContact O-CG 3.38Å; V95-Q99 PolarHBondContact O-N 3.23Å; V95-K192 HydrophobicContact CG2-CB 4.22Å; V95-R196 HydrophobicContact CG2-CG 4.15Å |
| 96 | R | 74 | Confident | 75.7 | Confident | 186 Ų | 186 | 70.3 Ų | 70.3 | 70% | 0.702 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -65.7 | -37.6 | 172.7 | -169.6 | 178 | -176.4 | 164 | 1.8 | 111.2 | L92 N93 G100 | L92-R96 WeakPolarHBondContact O-CB 3.32Å; L92-R96 PolarHBondContact O-N 3.22Å; L92-R96 VanDerWaalsContact O-N 3.07Å; N93-R96 CarbonylContact O-C 3.6Å; N93-R96 PolarHBondContact O-N 3.07Å; N93-R96 VanDerWaalsContact O-N 3.12Å; R96-G100 PolarHBondContact O-N 3.18Å |
| 97 | E | 78.4 | Confident | 77 | Confident | 110 Ų | 110 | 73.5 Ų | 73.5 | 51% | 0.514 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.5 | -46.6 | 173.4 | -174.7 | 179.5 | -168.8 | 0 | 0 | 110.9 | N93 V95 Q99 G100 N101 | N93-E97 VanDerWaalsContact O-CB 3.23Å; N93-E97 WeakPolarHBondContact O-CB 3.45Å; N93-E97 PolarHBondContact O-N 3.05Å; V95-E97 VanDerWaalsContact C-N 3.29Å; E97-Q99 PolarHBondContact O-N 3.47Å; E97-G100 CarbonylContact O-C 3.44Å; E97-G100 WeakPolarHBondContact O-CA 3.29Å; E97-G100 PolarHBondContact O-N 3.18Å; E97-G100 VanDerWaalsContact O-N 3.13Å; E97-N101 WeakPolarHBondContact O-CB 3.5Å; E97-N101 PolarHBondContact O-N 3.05Å; E97-N101 PolarHBondContact O-OD1 3.35Å |
| 98 | A | 77.5 | Confident | 78.3 | Confident | 3 Ų | 3 | 73.2 Ų | 73.2 | 3% | 0.025 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E94 V95 G100 N101 V102 K192 | E94-A98 VanDerWaalsContact O-CB 3.28Å; E94-A98 WeakPolarHBondContact O-CB 3.28Å; E94-A98 PolarHBondContact O-N 3.25Å; V95-A98 PolarHBondContact O-N 3.04Å; A98-G100 VanDerWaalsContact C-N 3.33Å; A98-N101 PolarHBondContact O-N 2.97Å; A98-V102 VanDerWaalsContact O-CG2 3.32Å; A98-V102 WeakPolarHBondContact O-CG2 3.49Å; A98-V102 PolarHBondContact O-N 3.41Å; A98-K192 HydrophobicContact CB-CD 3.83Å |
| 99 | Q | 80.8 | Confident | 79.7 | Confident | 108 Ų | 108 | 67.6 Ų | 67.6 | 51% | 0.505 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 172.7 | -73.9 | 176.6 | -21.5 | 0 | 0 | 111.4 | V95 E97 V102 T103 | V95-Q99 HydrophobicContact CG1-CG 4.31Å; V95-Q99 VanDerWaalsContact O-CB 3.26Å; V95-Q99 WeakPolarHBondContact O-CB 3.16Å; V95-Q99 WeakPolarHBondContact O-CG 3.38Å; V95-Q99 PolarHBondContact O-N 3.23Å; E97-Q99 PolarHBondContact O-N 3.47Å; Q99-V102 PolarHBondContact O-N 2.91Å; Q99-T103 WeakPolarHBondContact O-CG2 3.43Å; Q99-T103 PolarHBondContact O-N 3.04Å |
| 100 | G | 85.9 | Confident | 81.4 | Confident | 30 Ų | 30 | 68 Ų | 68 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56.9 | -51 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R96 E97 A98 V102 T103 E104 | R96-G100 PolarHBondContact O-N 3.18Å; E97-G100 CarbonylContact O-C 3.44Å; E97-G100 WeakPolarHBondContact O-CA 3.29Å; E97-G100 PolarHBondContact O-N 3.18Å; E97-G100 VanDerWaalsContact O-N 3.13Å; A98-G100 VanDerWaalsContact C-N 3.33Å; G100-V102 VanDerWaalsContact C-N 3.32Å; G100-V102 PolarHBondContact O-N 3.24Å; G100-T103 PolarHBondContact O-N 3.11Å; G100-T103 VanDerWaalsContact O-N 3.11Å; G100-T103 PolarHBondContact O-OG1 3.35Å; G100-E104 PolarHBondContact O-N 3.41Å |
| 101 | N | 86.8 | Confident | 83.2 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 36% | 0.358 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 178.7 | -67.2 | -9.9 | 0 | 0 | 0 | 112 | E97 A98 E104 A105 | E97-N101 WeakPolarHBondContact O-CB 3.5Å; E97-N101 PolarHBondContact O-N 3.05Å; E97-N101 PolarHBondContact O-OD1 3.35Å; A98-N101 PolarHBondContact O-N 2.97Å; N101-E104 PolarHBondContact O-N 3.03Å; N101-A105 VanDerWaalsContact O-CB 3.25Å; N101-A105 WeakPolarHBondContact O-CB 3.36Å; N101-A105 PolarHBondContact O-N 3.38Å |
| 102 | V | 90.8 | Very high | 84.8 | Confident | 22 Ų | 22 | 70.9 Ų | 70.9 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 172.8 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | A98 Q99 G100 E104 A105 E106 F182 A185 V186 | A98-V102 VanDerWaalsContact O-CG2 3.32Å; A98-V102 WeakPolarHBondContact O-CG2 3.49Å; A98-V102 PolarHBondContact O-N 3.41Å; Q99-V102 PolarHBondContact O-N 2.91Å; G100-V102 VanDerWaalsContact C-N 3.32Å; G100-V102 PolarHBondContact O-N 3.24Å; V102-E104 VanDerWaalsContact C-N 3.32Å; V102-E104 PolarHBondContact O-N 2.9Å; V102-A105 PolarHBondContact O-N 3.38Å; V102-E106 VanDerWaalsContact O-CB 3.3Å; V102-E106 WeakPolarHBondContact O-CB 3.45Å; V102-E106 PolarHBondContact O-N 2.98Å; V102-F182 HydrophobicContact CG1-CE2 3.92Å; V102-A185 HydrophobicContact CG2-CB 4Å; V102-A185 WeakPolarHBondContact CG2-O 3.26Å; V102-V186 HydrophobicContact CG1-CG2 3.84Å; V102-V186 HydrophobicContact CG2-CG2 4.27Å |
| 103 | T | 90.3 | Very high | 86.3 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 41% | 0.405 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.1 | -32.4 | -179.8 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | Q99 G100 K107 | Q99-T103 WeakPolarHBondContact O-CG2 3.43Å; Q99-T103 PolarHBondContact O-N 3.04Å; G100-T103 PolarHBondContact O-N 3.11Å; G100-T103 VanDerWaalsContact O-N 3.11Å; G100-T103 PolarHBondContact O-OG1 3.35Å; T103-K107 VanDerWaalsContact O-CG 3.26Å; T103-K107 WeakPolarHBondContact O-CG 3.46Å; T103-K107 PolarHBondContact O-N 3.44Å; T103-K107 VanDerWaalsContact O-N 3.16Å |
| 104 | E | 93.2 | Very high | 87.8 | Confident | 125 Ų | 125 | 72.3 Ų | 72.3 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -70.3 | -48.3 | 174.3 | -174.9 | 175.4 | 178.3 | 0 | 0 | 111 | G100 N101 V102 E106 K107 V108 | G100-E104 PolarHBondContact O-N 3.41Å; N101-E104 PolarHBondContact O-N 3.03Å; V102-E104 VanDerWaalsContact C-N 3.32Å; V102-E104 PolarHBondContact O-N 2.9Å; E104-E106 VanDerWaalsContact C-N 3.28Å; E104-E106 PolarHBondContact O-N 3.39Å; E104-K107 PolarHBondContact O-N 2.85Å; E104-V108 WeakPolarHBondContact O-CG2 3.29Å; E104-V108 PolarHBondContact O-N 2.9Å |
| 105 | A | 90.8 | Very high | 89.1 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | N101 V102 V108 F109 F182 A185 | N101-A105 VanDerWaalsContact O-CB 3.25Å; N101-A105 WeakPolarHBondContact O-CB 3.36Å; N101-A105 PolarHBondContact O-N 3.38Å; V102-A105 PolarHBondContact O-N 3.38Å; A105-V108 PolarHBondContact O-N 3.02Å; A105-F109 WeakPolarHBondContact O-CB 3.4Å; A105-F109 PolarHBondContact O-N 3.37Å; A105-F182 HydrophobicContact CB-CB 4.18Å; A105-F182 HydrophobicContact CB-CD2 4.18Å; A105-A185 HydrophobicContact CB-CB 4.42Å |
| 106 | E | 93.6 | Very high | 90.6 | Very high | 92 Ų | 92 | 73 Ų | 73 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 173.9 | -173.2 | -176.4 | 177.5 | 0 | 0 | 111.4 | V102 E104 V108 F109 M110 F182 | V102-E106 VanDerWaalsContact O-CB 3.3Å; V102-E106 WeakPolarHBondContact O-CB 3.45Å; V102-E106 PolarHBondContact O-N 2.98Å; E104-E106 VanDerWaalsContact C-N 3.28Å; E104-E106 PolarHBondContact O-N 3.39Å; E106-V108 VanDerWaalsContact C-N 3.3Å; E106-V108 PolarHBondContact O-N 3.23Å; E106-F109 PolarHBondContact O-N 3.3Å; E106-M110 HydrophobicContact CG-CG 4.49Å; E106-M110 WeakPolarHBondContact O-CG 3.38Å; E106-M110 PolarHBondContact O-N 2.88Å; E106-F182 HydrophobicContact CB-CD2 3.96Å; E106-F182 HydrophobicContact CB-CE2 3.62Å; E106-F182 HydrophobicContact CB-CZ 4.39Å; E106-F182 HydrophobicContact CG-CE2 4.07Å; E106-F182 HydrophobicContact CG-CZ 4.36Å |
| 107 | K | 94.8 | Very high | 91.7 | Very high | 143 Ų | 143 | 71.2 Ų | 71.2 | 62% | 0.622 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.8 | -45.6 | 178.3 | -73.9 | 167.5 | -174.7 | 172.2 | 0 | 111.3 | T103 E104 M110 V111 | T103-K107 VanDerWaalsContact O-CG 3.26Å; T103-K107 WeakPolarHBondContact O-CG 3.46Å; T103-K107 PolarHBondContact O-N 3.44Å; T103-K107 VanDerWaalsContact O-N 3.16Å; E104-K107 PolarHBondContact O-N 2.85Å; K107-M110 PolarHBondContact O-N 3.48Å; K107-V111 WeakPolarHBondContact O-CG2 3.27Å; K107-V111 PolarHBondContact O-N 2.89Å |
| 108 | V | 94.8 | Very high | 92.6 | Very high | 55 Ų | 55 | 70.9 Ų | 70.9 | 33% | 0.333 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 179.5 | 174 | 0 | 0 | 0 | 0 | 111.3 | E104 A105 E106 V111 A112 K178 | E104-V108 WeakPolarHBondContact O-CG2 3.29Å; E104-V108 PolarHBondContact O-N 2.9Å; A105-V108 PolarHBondContact O-N 3.02Å; E106-V108 VanDerWaalsContact C-N 3.3Å; E106-V108 PolarHBondContact O-N 3.23Å; V108-V111 PolarHBondContact O-N 3.14Å; V108-A112 PolarHBondContact O-N 3.37Å; V108-A112 VanDerWaalsContact O-N 3.1Å; V108-K178 HydrophobicContact CG1-CD 3.75Å; V108-K178 HydrophobicContact CG1-CG 3.93Å |
| 109 | F | 95.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 71.5 Ų | 71.5 | 10% | 0.101 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 173.9 | 170.2 | -111.6 | 0 | 0 | 0 | 112 | A105 E106 V111 A112 R113 E175 K178 F179 F182 | A105-F109 WeakPolarHBondContact O-CB 3.4Å; A105-F109 PolarHBondContact O-N 3.37Å; E106-F109 PolarHBondContact O-N 3.3Å; F109-V111 VanDerWaalsContact C-N 3.31Å; F109-V111 PolarHBondContact O-N 2.97Å; F109-A112 PolarHBondContact O-N 3.28Å; F109-A112 VanDerWaalsContact O-N 3.14Å; F109-R113 WeakPolarHBondContact O-CB 3.25Å; F109-R113 PolarHBondContact O-N 2.71Å; F109-E175 HydrophobicContact CD2-CG 4.26Å; F109-E175 HydrophobicContact CE2-CG 3.64Å; F109-K178 HydrophobicContact CB-CB 4.39Å; F109-K178 HydrophobicContact CD2-CB 4.48Å; F109-F179 HydrophobicContact CD2-CB 3.85Å; F109-F179 HydrophobicContact CD2-CD2 4.33Å; F109-F179 HydrophobicContact CE1-CD2 4.32Å; F109-F179 HydrophobicContact CE2-CB 3.62Å; F109-F179 AromaticContact CE2-CD2 3.78Å; F109-F179 HydrophobicContact CE2-CD2 3.78Å; F109-F179 HydrophobicContact CE2-CG 4.14Å; F109-F179 HydrophobicContact CZ-CB 4.46Å; F109-F179 AromaticContact CZ-CD2 3.77Å; F109-F179 HydrophobicContact CZ-CD2 3.77Å; F109-F182 HydrophobicContact CB-CB 4.4Å |
| 110 | M | 95.4 | Very high | 94.4 | Very high | 103 Ų | 103 | 72.8 Ų | 72.8 | 51% | 0.507 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 177.8 | -73 | -58.9 | -64.6 | 0 | 0 | 112.6 | E106 K107 S114 | E106-M110 HydrophobicContact CG-CG 4.49Å; E106-M110 WeakPolarHBondContact O-CG 3.38Å; E106-M110 PolarHBondContact O-N 2.88Å; K107-M110 PolarHBondContact O-N 3.48Å; M110-S114 WeakPolarHBondContact O-CB 3.34Å; M110-S114 PolarHBondContact O-N 3.43Å |
| 111 | V | 97.1 | Very high | 94.9 | Very high | 85 Ų | 85 | 75.5 Ų | 75.5 | 52% | 0.515 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.7 | -48.2 | 172.1 | 174 | 0 | 0 | 0 | 0 | 110.6 | K107 V108 F109 R113 S114 L115 | K107-V111 WeakPolarHBondContact O-CG2 3.27Å; K107-V111 PolarHBondContact O-N 2.89Å; V108-V111 PolarHBondContact O-N 3.14Å; F109-V111 VanDerWaalsContact C-N 3.31Å; F109-V111 PolarHBondContact O-N 2.97Å; V111-R113 VanDerWaalsContact C-N 3.32Å; V111-R113 PolarHBondContact O-N 3.02Å; V111-S114 PolarHBondContact O-N 2.89Å; V111-S114 VanDerWaalsContact O-N 3.12Å; V111-S114 PolarHBondContact O-OG 2.93Å; V111-L115 HydrophobicContact CG1-CD1 4.37Å; V111-L115 WeakPolarHBondContact O-CG 3.32Å; V111-L115 PolarHBondContact O-N 3Å |
| 112 | A | 95.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 76 Ų | 76 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V108 F109 S114 L115 V116 E175 K178 | V108-A112 PolarHBondContact O-N 3.37Å; V108-A112 VanDerWaalsContact O-N 3.1Å; F109-A112 PolarHBondContact O-N 3.28Å; F109-A112 VanDerWaalsContact O-N 3.14Å; A112-S114 VanDerWaalsContact C-N 3.32Å; A112-S114 PolarHBondContact O-N 3.48Å; A112-L115 WeakPolarHBondContact O-CB 3.46Å; A112-L115 PolarHBondContact O-N 3.2Å; A112-L115 VanDerWaalsContact O-N 3.16Å; A112-V116 PolarHBondContact O-N 2.87Å; A112-E175 HydrophobicContact CB-CB 4.34Å; A112-K178 HydrophobicContact CB-CB 4.31Å; A112-K178 HydrophobicContact CB-CG 4.15Å |
| 113 | R | 95.3 | Very high | 95.7 | Very high | 135 Ų | 135 | 75.8 Ų | 75.8 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 175.2 | -175.2 | 169.9 | -177.6 | 80.4 | -2.7 | 112.8 | F109 V111 V116 R117 E175 | F109-R113 WeakPolarHBondContact O-CB 3.25Å; F109-R113 PolarHBondContact O-N 2.71Å; V111-R113 VanDerWaalsContact C-N 3.32Å; V111-R113 PolarHBondContact O-N 3.02Å; R113-V116 PolarHBondContact O-N 3.1Å; R113-R117 PolarHBondContact O-N 3.38Å; R113-R117 VanDerWaalsContact O-N 3.09Å; R113-E175 WeakPolarHBondContact CG-OE1 3.42Å; R113-E175 IonicContact NH1-OE1 3.55Å; R113-E175 PolarHBondContact NH1-OE1 3.12Å |
| 114 | S | 96.9 | Very high | 96.1 | Very high | 60 Ų | 60 | 76.9 Ų | 76.9 | 42% | 0.42 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 174.7 | 76.4 | 0 | 0 | 0 | 0 | 112.4 | M110 V111 A112 R117 E118 | M110-S114 WeakPolarHBondContact O-CB 3.34Å; M110-S114 PolarHBondContact O-N 3.43Å; V111-S114 PolarHBondContact O-N 2.89Å; V111-S114 VanDerWaalsContact O-N 3.12Å; V111-S114 PolarHBondContact O-OG 2.93Å; A112-S114 VanDerWaalsContact C-N 3.32Å; A112-S114 PolarHBondContact O-N 3.48Å; S114-R117 WeakPolarHBondContact O-CB 3.44Å; S114-R117 PolarHBondContact O-N 3.16Å; S114-E118 PolarHBondContact O-N 3.24Å |
| 115 | L | 96.8 | Very high | 96.3 | Very high | 81 Ų | 81 | 73.1 Ų | 73.1 | 42% | 0.424 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 176.3 | -68 | 170.5 | 0 | 0 | 0 | 111.9 | V111 A112 R117 E118 A119 | V111-L115 HydrophobicContact CG1-CD1 4.37Å; V111-L115 WeakPolarHBondContact O-CG 3.32Å; V111-L115 PolarHBondContact O-N 3Å; A112-L115 WeakPolarHBondContact O-CB 3.46Å; A112-L115 PolarHBondContact O-N 3.2Å; A112-L115 VanDerWaalsContact O-N 3.16Å; L115-R117 VanDerWaalsContact C-N 3.33Å; L115-E118 PolarHBondContact O-N 2.66Å; L115-A119 VanDerWaalsContact O-CB 3.29Å; L115-A119 WeakPolarHBondContact O-CB 3.26Å; L115-A119 PolarHBondContact O-N 3.44Å |
| 116 | V | 97.9 | Very high | 96.6 | Very high | 13 Ų | 13 | 73 Ų | 73 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 173.3 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | A112 R113 A119 R120 Y168 A171 E172 E175 | A112-V116 PolarHBondContact O-N 2.87Å; R113-V116 PolarHBondContact O-N 3.1Å; V116-A119 PolarHBondContact O-N 2.86Å; V116-R120 VanDerWaalsContact O-CB 3.29Å; V116-R120 WeakPolarHBondContact O-CB 3.5Å; V116-R120 PolarHBondContact O-N 3.45Å; V116-Y168 HydrophobicContact CG1-CE2 3.95Å; V116-A171 HydrophobicContact CG2-CB 3.79Å; V116-A171 VanDerWaalsContact CG2-O 3.28Å; V116-A171 WeakPolarHBondContact CG2-O 3.05Å; V116-E172 HydrophobicContact CG1-CG 4.06Å; V116-E172 HydrophobicContact CG2-CG 4.46Å; V116-E175 HydrophobicContact CG2-CB 3.76Å; V116-E175 HydrophobicContact CG2-CG 4.49Å; V116-E175 WeakPolarHBondContact CG2-OE2 3.44Å |
| 117 | R | 97.8 | Very high | 96.7 | Very high | 148 Ų | 148 | 72.3 Ų | 72.3 | 56% | 0.558 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.1 | -45.5 | 177.3 | -162.2 | -176.2 | 74.1 | 79.3 | 17.9 | 111.5 | R113 S114 L115 R120 E121 | R113-R117 PolarHBondContact O-N 3.38Å; R113-R117 VanDerWaalsContact O-N 3.09Å; S114-R117 WeakPolarHBondContact O-CB 3.44Å; S114-R117 PolarHBondContact O-N 3.16Å; L115-R117 VanDerWaalsContact C-N 3.33Å; R117-R120 WeakPolarHBondContact O-CB 3.3Å; R117-R120 PolarHBondContact O-N 3.41Å; R117-E121 IonicContact CZ-OE1 3.34Å; R117-E121 IonicContact NH1-OE1 2.75Å; R117-E121 PolarHBondContact NH1-OE1 3.04Å; R117-E121 IonicContact NH1-OE2 2.67Å; R117-E121 IonicContact NH2-OE1 3.4Å; R117-E121 IonicContact NH2-OE2 2.93Å; R117-E121 WeakPolarHBondContact O-CG 3.23Å; R117-E121 PolarHBondContact O-N 2.65Å |
| 118 | E | 97.5 | Very high | 96.9 | Very high | 103 Ų | 103 | 68.4 Ų | 68.4 | 48% | 0.481 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.7 | -45.3 | 177.2 | -175.9 | -176.2 | 172.7 | 0 | 0 | 112.1 | S114 L115 R120 E121 N122 | S114-E118 PolarHBondContact O-N 3.24Å; L115-E118 PolarHBondContact O-N 2.66Å; E118-R120 VanDerWaalsContact C-N 3.27Å; E118-R120 PolarHBondContact O-N 2.79Å; E118-E121 PolarHBondContact O-N 3.41Å; E118-N122 WeakPolarHBondContact O-CB 3.5Å; E118-N122 PolarHBondContact O-N 3.01Å; E118-N122 PolarHBondContact O-ND2 3.06Å; E118-N122 VanDerWaalsContact O-ND2 3.07Å |
| 119 | A | 97.1 | Very high | 97 | Very high | 16 Ų | 16 | 71.4 Ų | 71.4 | 13% | 0.132 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -37.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L115 V116 L123 Y168 A171 | L115-A119 VanDerWaalsContact O-CB 3.29Å; L115-A119 WeakPolarHBondContact O-CB 3.26Å; L115-A119 PolarHBondContact O-N 3.44Å; V116-A119 PolarHBondContact O-N 2.86Å; A119-L123 WeakPolarHBondContact O-CB 3.18Å; A119-L123 PolarHBondContact O-N 3.14Å; A119-Y168 HydrophobicContact CB-CD2 4.13Å; A119-A171 HydrophobicContact CB-CB 4.32Å |
| 120 | R | 97.5 | Very high | 97 | Very high | 135 Ų | 135 | 70.5 Ų | 70.5 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.7 | -49.3 | 174.1 | -176.1 | 175.1 | 170.6 | 169.7 | -0.5 | 112 | V116 R117 E118 N122 L123 E124 Y168 | V116-R120 VanDerWaalsContact O-CB 3.29Å; V116-R120 WeakPolarHBondContact O-CB 3.5Å; V116-R120 PolarHBondContact O-N 3.45Å; R117-R120 WeakPolarHBondContact O-CB 3.3Å; R117-R120 PolarHBondContact O-N 3.41Å; E118-R120 VanDerWaalsContact C-N 3.27Å; E118-R120 PolarHBondContact O-N 2.79Å; R120-N122 VanDerWaalsContact C-N 3.28Å; R120-N122 PolarHBondContact O-N 3.29Å; R120-L123 WeakPolarHBondContact O-CB 3.43Å; R120-L123 PolarHBondContact O-N 3.28Å; R120-L123 VanDerWaalsContact O-N 3.14Å; R120-E124 HydrophobicContact CG-CG 4.4Å; R120-E124 IonicContact CZ-OE1 3.78Å; R120-E124 IonicContact NE-OE1 3.41Å; R120-E124 PolarHBondContact NE-OE1 2.6Å; R120-E124 IonicContact NH2-OE1 2.6Å; R120-E124 PolarHBondContact NH2-OE1 3.48Å; R120-E124 WeakPolarHBondContact O-CG 3.29Å; R120-E124 PolarHBondContact O-N 2.96Å; R120-Y168 HydrophobicContact CB-CD2 4.07Å; R120-Y168 HydrophobicContact CB-CE2 3.75Å; R120-Y168 HydrophobicContact CG-CE2 4.3Å |
| 121 | E | 97.9 | Very high | 97.1 | Very high | 87 Ų | 87 | 71.9 Ų | 71.9 | 41% | 0.407 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58 | -42.5 | 177.7 | -75.9 | 175.6 | 170 | 0 | 0 | 111.3 | R117 E118 E124 A125 | R117-E121 IonicContact CZ-OE1 3.34Å; R117-E121 IonicContact NH1-OE1 2.75Å; R117-E121 PolarHBondContact NH1-OE1 3.04Å; R117-E121 IonicContact NH1-OE2 2.67Å; R117-E121 IonicContact NH2-OE1 3.4Å; R117-E121 IonicContact NH2-OE2 2.93Å; R117-E121 WeakPolarHBondContact O-CG 3.23Å; R117-E121 PolarHBondContact O-N 2.65Å; E118-E121 PolarHBondContact O-N 3.41Å; E121-E124 PolarHBondContact O-N 2.96Å; E121-A125 VanDerWaalsContact O-CB 3.27Å; E121-A125 WeakPolarHBondContact O-CB 3.44Å; E121-A125 PolarHBondContact O-N 3.46Å |
| 122 | N | 96.6 | Very high | 97.1 | Very high | 76 Ų | 76 | 72.4 Ų | 72.4 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 176.4 | -72.9 | -41.3 | 0 | 0 | 0 | 112.7 | E118 R120 Q126 L164 | E118-N122 WeakPolarHBondContact O-CB 3.5Å; E118-N122 PolarHBondContact O-N 3.01Å; E118-N122 PolarHBondContact O-ND2 3.06Å; E118-N122 VanDerWaalsContact O-ND2 3.07Å; R120-N122 VanDerWaalsContact C-N 3.28Å; R120-N122 PolarHBondContact O-N 3.29Å; N122-Q126 WeakPolarHBondContact O-CB 3.35Å; N122-Q126 PolarHBondContact O-N 3.12Å; N122-L164 HydrophobicContact CB-CD2 3.63Å |
| 123 | L | 97.8 | Very high | 97.1 | Very high | 19 Ų | 19 | 72.9 Ų | 72.9 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.1 | -48.5 | 175.6 | -172.8 | 79.7 | 0 | 0 | 0 | 111.1 | A119 R120 A125 Q126 Q127 E161 L164 R165 | A119-L123 WeakPolarHBondContact O-CB 3.18Å; A119-L123 PolarHBondContact O-N 3.14Å; R120-L123 WeakPolarHBondContact O-CB 3.43Å; R120-L123 PolarHBondContact O-N 3.28Å; R120-L123 VanDerWaalsContact O-N 3.14Å; L123-A125 VanDerWaalsContact C-N 3.35Å; L123-A125 PolarHBondContact O-N 3.09Å; L123-Q126 PolarHBondContact O-N 2.95Å; L123-Q127 WeakPolarHBondContact O-CB 3.3Å; L123-Q127 WeakPolarHBondContact O-CG 3.28Å; L123-Q127 PolarHBondContact O-N 3.48Å; L123-E161 HydrophobicContact CD1-CG 4.28Å; L123-L164 HydrophobicContact CD1-CB 3.88Å; L123-R165 HydrophobicContact CD1-CB 3.99Å |
| 124 | E | 97.3 | Very high | 97.1 | Very high | 88 Ų | 88 | 71.3 Ų | 71.3 | 41% | 0.411 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 178.9 | -72.1 | 177.6 | -176.5 | 0 | 0 | 111.1 | R120 E121 Q126 Q127 A128 | R120-E124 HydrophobicContact CG-CG 4.4Å; R120-E124 IonicContact CZ-OE1 3.78Å; R120-E124 IonicContact NE-OE1 3.41Å; R120-E124 PolarHBondContact NE-OE1 2.6Å; R120-E124 IonicContact NH2-OE1 2.6Å; R120-E124 PolarHBondContact NH2-OE1 3.48Å; R120-E124 WeakPolarHBondContact O-CG 3.29Å; R120-E124 PolarHBondContact O-N 2.96Å; E121-E124 PolarHBondContact O-N 2.96Å; E124-Q126 PolarHBondContact O-N 2.91Å; E124-Q127 PolarHBondContact O-N 3.24Å; E124-A128 WeakPolarHBondContact O-CB 3.44Å; E124-A128 PolarHBondContact O-N 3.31Å |
| 125 | A | 97.6 | Very high | 97.1 | Very high | 47 Ų | 47 | 71.9 Ų | 71.9 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E121 L123 K129 | E121-A125 VanDerWaalsContact O-CB 3.27Å; E121-A125 WeakPolarHBondContact O-CB 3.44Å; E121-A125 PolarHBondContact O-N 3.46Å; L123-A125 VanDerWaalsContact C-N 3.35Å; L123-A125 PolarHBondContact O-N 3.09Å; A125-K129 WeakPolarHBondContact O-CG 3.41Å; A125-K129 PolarHBondContact O-N 3.44Å |
| 126 | Q | 96.8 | Very high | 97 | Very high | 17 Ų | 17 | 74.4 Ų | 74.4 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 176.1 | -172.4 | 70.6 | -2.3 | 0 | 0 | 111.7 | N122 L123 E124 A128 K129 L130 M157 E160 E161 L164 | N122-Q126 WeakPolarHBondContact O-CB 3.35Å; N122-Q126 PolarHBondContact O-N 3.12Å; L123-Q126 PolarHBondContact O-N 2.95Å; E124-Q126 PolarHBondContact O-N 2.91Å; Q126-A128 VanDerWaalsContact C-N 3.34Å; Q126-K129 PolarHBondContact O-N 3.43Å; Q126-L130 WeakPolarHBondContact O-CB 3.36Å; Q126-L130 PolarHBondContact O-N 3.09Å; Q126-M157 PolarHBondContact NE2-O 2.7Å; Q126-E160 PolarHBondContact NE2-OE2 2.94Å; Q126-E161 HydrophobicContact CG-CB 4.31Å; Q126-L164 HydrophobicContact CB-CD1 3.81Å; Q126-L164 HydrophobicContact CG-CD1 3.84Å |
| 127 | Q | 97.1 | Very high | 96.9 | Very high | 77 Ų | 77 | 74.5 Ų | 74.5 | 36% | 0.36 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 176.3 | -75.5 | 178.3 | -16 | 0 | 0 | 112.1 | L123 E124 L130 K131 E161 | L123-Q127 WeakPolarHBondContact O-CB 3.3Å; L123-Q127 WeakPolarHBondContact O-CG 3.28Å; L123-Q127 PolarHBondContact O-N 3.48Å; E124-Q127 PolarHBondContact O-N 3.24Å; Q127-L130 PolarHBondContact O-N 2.92Å; Q127-K131 WeakPolarHBondContact O-CB 3.36Å; Q127-K131 PolarHBondContact O-N 2.91Å; Q127-E161 HydrophobicContact CG-CG 4.21Å; Q127-E161 PolarHBondContact NE2-OE1 2.81Å |
| 128 | A | 97.6 | Very high | 96.7 | Very high | 62 Ų | 62 | 74.1 Ų | 74.1 | 51% | 0.512 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E124 Q126 K131 E132 | E124-A128 WeakPolarHBondContact O-CB 3.44Å; E124-A128 PolarHBondContact O-N 3.31Å; Q126-A128 VanDerWaalsContact C-N 3.34Å; A128-K131 PolarHBondContact O-N 3.37Å; A128-E132 PolarHBondContact O-N 2.89Å |
| 129 | K | 96.8 | Very high | 96.5 | Very high | 117 Ų | 117 | 79.1 Ų | 79.1 | 51% | 0.509 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 175.8 | -64.6 | 171.8 | -176.6 | 175.3 | 0 | 111.8 | A125 Q126 K131 E132 V133 M157 | A125-K129 WeakPolarHBondContact O-CG 3.41Å; A125-K129 PolarHBondContact O-N 3.44Å; Q126-K129 PolarHBondContact O-N 3.43Å; K129-K131 VanDerWaalsContact C-N 3.3Å; K129-K131 PolarHBondContact O-N 3.04Å; K129-E132 PolarHBondContact O-N 3.2Å; K129-V133 WeakPolarHBondContact O-CG2 3.46Å; K129-V133 PolarHBondContact O-N 3.49Å; K129-M157 VanDerWaalsContact C-CE 3.47Å; K129-M157 HydrophobicContact CB-CE 3.36Å |
| 130 | L | 97.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 79.9 Ų | 79.9 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.9 | -40.2 | 178.8 | -175 | 71 | 0 | 0 | 0 | 110.9 | Q126 Q127 V133 R134 E154 M157 L158 | Q126-L130 WeakPolarHBondContact O-CB 3.36Å; Q126-L130 PolarHBondContact O-N 3.09Å; Q127-L130 PolarHBondContact O-N 2.92Å; L130-V133 PolarHBondContact O-N 2.78Å; L130-R134 WeakPolarHBondContact O-CG 3.26Å; L130-R134 PolarHBondContact O-N 3.38Å; L130-E154 HydrophobicContact CD1-CG 3.8Å; L130-M157 HydrophobicContact CB-CE 4.21Å; L130-M157 HydrophobicContact CD1-CB 3.65Å; L130-L158 HydrophobicContact CD1-CG 4.16Å; L130-L158 HydrophobicContact CD2-CD2 3.95Å; L130-L158 HydrophobicContact CD2-CG 4.21Å |
| 131 | K | 97.1 | Very high | 96.1 | Very high | 133 Ų | 133 | 76.8 Ų | 76.8 | 58% | 0.578 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 174.2 | -174 | -179.4 | 177.5 | -177.1 | 0 | 111.5 | Q127 A128 K129 V133 R134 D135 | Q127-K131 WeakPolarHBondContact O-CB 3.36Å; Q127-K131 PolarHBondContact O-N 2.91Å; A128-K131 PolarHBondContact O-N 3.37Å; K129-K131 VanDerWaalsContact C-N 3.3Å; K129-K131 PolarHBondContact O-N 3.04Å; K131-V133 VanDerWaalsContact C-N 3.31Å; K131-V133 PolarHBondContact O-N 3.21Å; K131-R134 PolarHBondContact O-N 2.93Å; K131-D135 WeakPolarHBondContact O-CB 3.37Å; K131-D135 VanDerWaalsContact O-CG 3.23Å; K131-D135 PolarHBondContact O-N 3.3Å |
| 132 | E | 96.7 | Very high | 95.8 | Very high | 95 Ų | 95 | 82.2 Ų | 82.2 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.1 | -42 | 176.6 | -174.5 | -175.5 | 174.3 | 0 | 0 | 112.1 | A128 K129 D135 R136 | A128-E132 PolarHBondContact O-N 2.89Å; K129-E132 PolarHBondContact O-N 3.2Å; E132-D135 PolarHBondContact O-N 3.16Å; E132-R136 WeakPolarHBondContact O-CG 3.3Å; E132-R136 PolarHBondContact O-N 2.84Å; E132-R136 IonicContact OE1-CZ 3.47Å; E132-R136 IonicContact OE1-NE 3.53Å; E132-R136 PolarHBondContact OE1-NE 2.78Å; E132-R136 IonicContact OE1-NH2 3.62Å; E132-R136 PolarHBondContact OE1-NH2 3.31Å |
| 133 | V | 95.9 | Very high | 95.7 | Very high | 17 Ų | 17 | 87.3 Ų | 87.3 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | K129 L130 K131 R136 L137 L150 L153 E154 M157 | K129-V133 WeakPolarHBondContact O-CG2 3.46Å; K129-V133 PolarHBondContact O-N 3.49Å; L130-V133 PolarHBondContact O-N 2.78Å; K131-V133 VanDerWaalsContact C-N 3.31Å; K131-V133 PolarHBondContact O-N 3.21Å; V133-R136 PolarHBondContact O-N 3.42Å; V133-L137 WeakPolarHBondContact O-CB 3.44Å; V133-L137 PolarHBondContact O-N 3.38Å; V133-L150 HydrophobicContact CG1-CD2 4.33Å; V133-L153 HydrophobicContact CB-CD2 4.17Å; V133-L153 HydrophobicContact CG1-CD2 3.66Å; V133-L153 HydrophobicContact CG2-CD2 3.43Å; V133-L153 VanDerWaalsContact CG2-CD2 3.43Å; V133-E154 HydrophobicContact CG1-CB 4.2Å; V133-M157 HydrophobicContact CG2-SD 3.84Å |
| 134 | R | 95.4 | Very high | 95.5 | Very high | 102 Ų | 102 | 89.8 Ų | 89.8 | 39% | 0.385 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 173.7 | -77.1 | 178.8 | 178.6 | 158.8 | 4 | 112 | L130 K131 R136 L137 D138 E154 | L130-R134 WeakPolarHBondContact O-CG 3.26Å; L130-R134 PolarHBondContact O-N 3.38Å; K131-R134 PolarHBondContact O-N 2.93Å; R134-R136 PolarHBondContact O-N 3.37Å; R134-L137 PolarHBondContact O-N 2.91Å; R134-L137 VanDerWaalsContact O-N 3.1Å; R134-D138 PolarHBondContact O-N 3.29Å; R134-E154 HydrophobicContact CG-CG 4.41Å; R134-E154 WeakPolarHBondContact CG-OE1 3.26Å; R134-E154 IonicContact CZ-OE1 2.66Å; R134-E154 IonicContact NE-OE1 3.5Å; R134-E154 PolarHBondContact NE-OE1 2.99Å; R134-E154 IonicContact NH2-OE1 2.79Å |
| 135 | D | 96.3 | Very high | 95.1 | Very high | 72 Ų | 72 | 92.1 Ų | 92.1 | 39% | 0.385 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61 | -31.7 | 177.8 | -68.4 | -13.7 | 0 | 0 | 0 | 111.5 | K131 E132 R139 | K131-D135 WeakPolarHBondContact O-CB 3.37Å; K131-D135 VanDerWaalsContact O-CG 3.23Å; K131-D135 PolarHBondContact O-N 3.3Å; E132-D135 PolarHBondContact O-N 3.16Å; D135-R139 WeakPolarHBondContact O-CD 3.47Å; D135-R139 VanDerWaalsContact O-CG 3.28Å; D135-R139 WeakPolarHBondContact O-CG 3.45Å |
| 136 | R | 94.8 | Very high | 94.8 | Very high | 135 Ų | 135 | 95 Ų | 95 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -75.3 | -43.1 | 172.7 | -70.6 | 177 | -173.4 | -154.3 | 2.2 | 112.3 | E132 V133 R134 D138 R139 V140 L150 | E132-R136 WeakPolarHBondContact O-CG 3.3Å; E132-R136 PolarHBondContact O-N 2.84Å; E132-R136 IonicContact OE1-CZ 3.47Å; E132-R136 IonicContact OE1-NE 3.53Å; E132-R136 PolarHBondContact OE1-NE 2.78Å; E132-R136 IonicContact OE1-NH2 3.62Å; E132-R136 PolarHBondContact OE1-NH2 3.31Å; V133-R136 PolarHBondContact O-N 3.42Å; R134-R136 PolarHBondContact O-N 3.37Å; R136-D138 VanDerWaalsContact C-N 3.3Å; R136-D138 PolarHBondContact O-N 3.49Å; R136-R139 PolarHBondContact O-N 2.67Å; R136-R139 VanDerWaalsContact O-N 3.12Å; R136-V140 WeakPolarHBondContact O-CG2 3.4Å; R136-V140 PolarHBondContact O-N 3.28Å; R136-L150 HydrophobicContact CB-CD1 4.4Å |
| 137 | L | 95.3 | Very high | 94.7 | Very high | 14 Ų | 14 | 97.1 Ų | 97.1 | 7% | 0.073 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 179.2 | -171.6 | 68.8 | 0 | 0 | 0 | 111.7 | V133 R134 R139 V140 Y147 L150 A151 | V133-L137 WeakPolarHBondContact O-CB 3.44Å; V133-L137 PolarHBondContact O-N 3.38Å; R134-L137 PolarHBondContact O-N 2.91Å; R134-L137 VanDerWaalsContact O-N 3.1Å; L137-R139 PolarHBondContact O-N 2.96Å; L137-V140 PolarHBondContact O-N 3.33Å; L137-Y147 HydrophobicContact CD1-CD2 3.5Å; L137-Y147 VanDerWaalsContact CD1-CD2 3.5Å; L137-Y147 HydrophobicContact CD1-CE2 3.49Å; L137-Y147 VanDerWaalsContact CD1-CE2 3.49Å; L137-Y147 HydrophobicContact CD1-CG 4.13Å; L137-Y147 HydrophobicContact CG-CD2 4.24Å; L137-Y147 HydrophobicContact CG-CE2 3.81Å; L137-L150 HydrophobicContact CD1-CB 3.59Å; L137-A151 HydrophobicContact CD1-CB 4.28Å |
| 138 | D | 93.8 | Very high | 94.6 | Very high | 141 Ų | 141 | 99.3 Ų | 99.3 | 75% | 0.754 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.6 | 177 | -80.2 | -10.5 | 0 | 0 | 0 | 113.4 | R134 R136 | R134-D138 PolarHBondContact O-N 3.29Å; R136-D138 VanDerWaalsContact C-N 3.3Å; R136-D138 PolarHBondContact O-N 3.49Å |
| 139 | R | 94.8 | Very high | 94.5 | Very high | 207 Ų | 207 | 103.1 Ų | 103.1 | 78% | 0.781 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -23 | 179.3 | -68.3 | 171.8 | -175.8 | -175.8 | 2.4 | 113.4 | D135 R136 L137 | D135-R139 WeakPolarHBondContact O-CD 3.47Å; D135-R139 VanDerWaalsContact O-CG 3.28Å; D135-R139 WeakPolarHBondContact O-CG 3.45Å; R136-R139 PolarHBondContact O-N 2.67Å; R136-R139 VanDerWaalsContact O-N 3.12Å; L137-R139 PolarHBondContact O-N 2.96Å |
| 140 | V | 93.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 99.1 Ų | 99.1 | 19% | 0.194 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -88.2 | 134.8 | -176.3 | 174.9 | 0 | 0 | 0 | 0 | 109.7 | R136 L137 D144 Q146 L150 | R136-V140 WeakPolarHBondContact O-CG2 3.4Å; R136-V140 PolarHBondContact O-N 3.28Å; L137-V140 PolarHBondContact O-N 3.33Å; V140-D144 HydrophobicContact CG1-CB 3.93Å; V140-Q146 HydrophobicContact CG1-CB 4.2Å; V140-L150 HydrophobicContact CG2-CD1 3.98Å |
| 141 | S | 91.9 | Very high | 94.3 | Very high | 71 Ų | 71 | 100.3 Ų | 100.3 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | trans | -65.4 | 142.8 | 174.9 | -178 | 0 | 0 | 0 | 0 | 110.6 | E143 D144 | S141-E143 PolarHBondContact O-N 3.38Å; S141-E143 VanDerWaalsContact O-N 3.12Å; S141-D144 WeakPolarHBondContact O-CB 3.36Å; S141-D144 PolarHBondContact O-N 2.8Å; S141-D144 VanDerWaalsContact O-N 3.1Å | ||
| 142 | R | 92.3 | Very high | 94.2 | Very high | 200 Ų | 200 | 98.3 Ų | 98.3 | 76% | 0.755 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -18.8 | 178.3 | -72.7 | -178.7 | 169.1 | 176.7 | -1 | 114.3 | D144 Y147 | R142-D144 VanDerWaalsContact C-N 3.34Å; R142-Y147 HydrophobicContact CG-CD1 4.43Å; R142-Y147 HydrophobicContact CG-CD2 4.2Å; R142-Y147 HydrophobicContact CG-CE1 4.09Å; R142-Y147 HydrophobicContact CG-CE2 3.85Å; R142-Y147 HydrophobicContact CG-CG 4.48Å |
| 143 | E | 92.8 | Very high | 94.1 | Very high | 183 Ų | 183 | 97.6 Ų | 97.6 | 86% | 0.855 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -15.6 | 179.8 | -62.6 | 170.6 | -169.7 | 0 | 0 | 112.5 | S141 | S141-E143 PolarHBondContact O-N 3.38Å; S141-E143 VanDerWaalsContact O-N 3.12Å |
| 144 | D | 93.5 | Very high | 94.1 | Very high | 71 Ų | 71 | 98.6 Ų | 98.6 | 38% | 0.38 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -79.4 | 138.2 | 178.7 | -164.2 | -25.7 | 0 | 0 | 0 | 110.7 | V140 S141 R142 Q146 Y147 | V140-D144 HydrophobicContact CG1-CB 3.93Å; S141-D144 WeakPolarHBondContact O-CB 3.36Å; S141-D144 PolarHBondContact O-N 2.8Å; S141-D144 VanDerWaalsContact O-N 3.1Å; R142-D144 VanDerWaalsContact C-N 3.34Å; D144-Q146 PolarHBondContact O-N 2.92Å; D144-Q146 VanDerWaalsContact O-N 3.17Å; D144-Q146 PolarHBondContact OD1-N 3.34Å; D144-Q146 VanDerWaalsContact OD1-N 3.07Å; D144-Y147 VanDerWaalsContact O-CB 3.26Å; D144-Y147 WeakPolarHBondContact O-CB 3.42Å; D144-Y147 PolarHBondContact O-N 3.38Å |
| 145 | N | 89.3 | Confident | 94.2 | Very high | 137 Ų | 137 | 99.2 Ų | 99.2 | 73% | 0.733 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.1 | -29.7 | 174.1 | -71 | -60.4 | 0 | 0 | 0 | 112.1 | Y147 L148 | N145-Y147 PolarHBondContact O-N 2.8Å; N145-L148 PolarHBondContact O-N 3.32Å |
| 146 | Q | 92.5 | Very high | 94.2 | Very high | 107 Ų | 107 | 103.6 Ų | 103.6 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.8 | -26.3 | 176.6 | -64.8 | -179.3 | 19.7 | 0 | 0 | 113.3 | V140 D144 E149 L150 | V140-Q146 HydrophobicContact CG1-CB 4.2Å; D144-Q146 PolarHBondContact O-N 2.92Å; D144-Q146 VanDerWaalsContact O-N 3.17Å; D144-Q146 PolarHBondContact OD1-N 3.34Å; D144-Q146 VanDerWaalsContact OD1-N 3.07Å; Q146-E149 PolarHBondContact O-N 3.13Å; Q146-L150 WeakPolarHBondContact O-CB 3.46Å; Q146-L150 WeakPolarHBondContact O-CG 3.32Å; Q146-L150 PolarHBondContact O-N 2.84Å |
| 147 | Y | 94.9 | Very high | 94.3 | Very high | 62 Ų | 62 | 98 Ų | 98 | 24% | 0.243 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 178.3 | -177.2 | -95.5 | 0 | 0 | 0 | 111.5 | L137 R142 D144 N145 E149 L150 A151 | L137-Y147 HydrophobicContact CD1-CD2 3.5Å; L137-Y147 VanDerWaalsContact CD1-CD2 3.5Å; L137-Y147 HydrophobicContact CD1-CE2 3.49Å; L137-Y147 VanDerWaalsContact CD1-CE2 3.49Å; L137-Y147 HydrophobicContact CD1-CG 4.13Å; L137-Y147 HydrophobicContact CG-CD2 4.24Å; L137-Y147 HydrophobicContact CG-CE2 3.81Å; R142-Y147 HydrophobicContact CG-CD1 4.43Å; R142-Y147 HydrophobicContact CG-CD2 4.2Å; R142-Y147 HydrophobicContact CG-CE1 4.09Å; R142-Y147 HydrophobicContact CG-CE2 3.85Å; R142-Y147 HydrophobicContact CG-CG 4.48Å; D144-Y147 VanDerWaalsContact O-CB 3.26Å; D144-Y147 WeakPolarHBondContact O-CB 3.42Å; D144-Y147 PolarHBondContact O-N 3.38Å; N145-Y147 PolarHBondContact O-N 2.8Å; Y147-E149 VanDerWaalsContact C-N 3.35Å; Y147-E149 PolarHBondContact O-N 3.43Å; Y147-L150 PolarHBondContact O-N 2.93Å; Y147-A151 VanDerWaalsContact O-CB 3.32Å; Y147-A151 WeakPolarHBondContact O-CB 3.44Å; Y147-A151 PolarHBondContact O-N 3.38Å |
| 148 | L | 94.3 | Very high | 94.4 | Very high | 124 Ų | 124 | 99.5 Ų | 99.5 | 65% | 0.649 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.8 | -39.2 | -179.3 | -174.7 | 67.1 | 0 | 0 | 0 | 111.7 | N145 T152 | N145-L148 PolarHBondContact O-N 3.32Å; L148-T152 WeakPolarHBondContact O-CB 3.46Å; L148-T152 PolarHBondContact O-N 3.46Å; L148-T152 PolarHBondContact O-OG1 3.08Å |
| 149 | E | 94.6 | Very high | 94.5 | Very high | 142 Ų | 142 | 98.1 Ų | 98.1 | 66% | 0.664 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.7 | -48.4 | 176.4 | -66 | -175.9 | 173.7 | 0 | 0 | 111.4 | Q146 Y147 T152 L153 | Q146-E149 PolarHBondContact O-N 3.13Å; Y147-E149 VanDerWaalsContact C-N 3.35Å; Y147-E149 PolarHBondContact O-N 3.43Å; E149-T152 PolarHBondContact O-N 3.46Å; E149-L153 WeakPolarHBondContact O-CB 3.44Å; E149-L153 PolarHBondContact O-N 2.77Å |
| 150 | L | 95.1 | Very high | 94.6 | Very high | 32 Ų | 32 | 91.5 Ų | 91.5 | 17% | 0.168 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 177.8 | -75.2 | 168.1 | 0 | 0 | 0 | 112.3 | V133 R136 L137 V140 Q146 Y147 L153 E154 | V133-L150 HydrophobicContact CG1-CD2 4.33Å; R136-L150 HydrophobicContact CB-CD1 4.4Å; L137-L150 HydrophobicContact CD1-CB 3.59Å; V140-L150 HydrophobicContact CG2-CD1 3.98Å; Q146-L150 WeakPolarHBondContact O-CB 3.46Å; Q146-L150 WeakPolarHBondContact O-CG 3.32Å; Q146-L150 PolarHBondContact O-N 2.84Å; Y147-L150 PolarHBondContact O-N 2.93Å; L150-L153 PolarHBondContact O-N 2.75Å; L150-E154 PolarHBondContact O-N 3.11Å |
| 151 | A | 94.8 | Very high | 94.8 | Very high | 29 Ų | 29 | 90.6 Ų | 90.6 | 24% | 0.24 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L137 Y147 L153 E154 H155 | L137-A151 HydrophobicContact CD1-CB 4.28Å; Y147-A151 VanDerWaalsContact O-CB 3.32Å; Y147-A151 WeakPolarHBondContact O-CB 3.44Å; Y147-A151 PolarHBondContact O-N 3.38Å; A151-L153 VanDerWaalsContact C-N 3.33Å; A151-E154 PolarHBondContact O-N 3.36Å; A151-H155 PolarHBondContact O-N 2.92Å |
| 152 | T | 95.5 | Very high | 95 | Very high | 92 Ų | 92 | 93.5 Ų | 93.5 | 56% | 0.564 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.3 | -40.5 | 175.1 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | L148 E149 H155 R156 | L148-T152 WeakPolarHBondContact O-CB 3.46Å; L148-T152 PolarHBondContact O-N 3.46Å; L148-T152 PolarHBondContact O-OG1 3.08Å; E149-T152 PolarHBondContact O-N 3.46Å; T152-H155 PolarHBondContact O-N 3.34Å; T152-R156 PolarHBondContact O-N 3.46Å; T152-R156 VanDerWaalsContact O-N 3.08Å |
| 153 | L | 95.7 | Very high | 95.3 | Very high | 80 Ų | 80 | 92.8 Ų | 92.8 | 42% | 0.419 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.1 | -173.7 | 139.7 | 0 | 0 | 0 | 111.8 | V133 E149 L150 A151 H155 R156 M157 | V133-L153 HydrophobicContact CB-CD2 4.17Å; V133-L153 HydrophobicContact CG1-CD2 3.66Å; V133-L153 HydrophobicContact CG2-CD2 3.43Å; V133-L153 VanDerWaalsContact CG2-CD2 3.43Å; E149-L153 WeakPolarHBondContact O-CB 3.44Å; E149-L153 PolarHBondContact O-N 2.77Å; L150-L153 PolarHBondContact O-N 2.75Å; A151-L153 VanDerWaalsContact C-N 3.33Å; L153-H155 PolarHBondContact O-N 2.93Å; L153-R156 PolarHBondContact O-N 2.99Å; L153-M157 HydrophobicContact CD2-CG 4.3Å; L153-M157 HydrophobicContact CD2-SD 3.42Å; L153-M157 WeakPolarHBondContact CD2-SD 3.2Å; L153-M157 HydrophobicContact CG-SD 4.3Å; L153-M157 WeakPolarHBondContact O-CB 3.44Å; L153-M157 VanDerWaalsContact O-CG 3.32Å; L153-M157 WeakPolarHBondContact O-CG 3.38Å; L153-M157 PolarHBondContact O-N 2.92Å |
| 154 | E | 95.7 | Very high | 95.5 | Very high | 37 Ų | 37 | 85.6 Ų | 85.6 | 17% | 0.173 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.1 | -47.8 | 173.5 | -170.1 | -163.3 | -178 | 0 | 0 | 111.1 | L130 V133 R134 L150 A151 R156 M157 L158 | L130-E154 HydrophobicContact CD1-CG 3.8Å; V133-E154 HydrophobicContact CG1-CB 4.2Å; R134-E154 HydrophobicContact CG-CG 4.41Å; R134-E154 WeakPolarHBondContact CG-OE1 3.26Å; R134-E154 IonicContact CZ-OE1 2.66Å; R134-E154 IonicContact NE-OE1 3.5Å; R134-E154 PolarHBondContact NE-OE1 2.99Å; R134-E154 IonicContact NH2-OE1 2.79Å; L150-E154 PolarHBondContact O-N 3.11Å; A151-E154 PolarHBondContact O-N 3.36Å; E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 3.13Å; E154-M157 PolarHBondContact O-N 2.84Å; E154-M157 VanDerWaalsContact O-N 3.17Å; E154-L158 HydrophobicContact CG-CD1 4.17Å; E154-L158 WeakPolarHBondContact O-CB 3.32Å; E154-L158 PolarHBondContact O-N 2.91Å |
| 155 | H | 96.9 | Very high | 95.7 | Very high | 115 Ų | 115 | 87.9 Ų | 87.9 | 53% | 0.532 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 179.5 | -174.3 | 75.7 | 0 | 0 | 0 | 111.9 | A151 T152 L153 L158 Q159 | A151-H155 PolarHBondContact O-N 2.92Å; T152-H155 PolarHBondContact O-N 3.34Å; L153-H155 PolarHBondContact O-N 2.93Å; H155-L158 WeakPolarHBondContact O-CB 3.28Å; H155-L158 PolarHBondContact O-N 3.36Å; H155-Q159 PolarHBondContact CD2-NE2 3.47Å; H155-Q159 PolarHBondContact NE2-NE2 2.92Å; H155-Q159 WeakPolarHBondContact O-CG 3.25Å; H155-Q159 PolarHBondContact O-N 3.47Å; H155-Q159 VanDerWaalsContact O-N 3.09Å |
| 156 | R | 96.6 | Very high | 96.1 | Very high | 165 Ų | 165 | 85.5 Ų | 85.5 | 62% | 0.623 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.3 | -46.2 | 175 | -178.9 | -179.5 | 175.6 | 163.6 | 3.3 | 111.5 | T152 L153 E154 L158 Q159 E160 | T152-R156 PolarHBondContact O-N 3.46Å; T152-R156 VanDerWaalsContact O-N 3.08Å; L153-R156 PolarHBondContact O-N 2.99Å; E154-R156 VanDerWaalsContact C-N 3.32Å; E154-R156 PolarHBondContact O-N 3.13Å; R156-L158 VanDerWaalsContact C-N 3.3Å; R156-L158 PolarHBondContact O-N 3.28Å; R156-Q159 WeakPolarHBondContact O-CB 3.39Å; R156-Q159 PolarHBondContact O-N 2.88Å; R156-Q159 VanDerWaalsContact O-N 3.17Å; R156-E160 IonicContact NE-OE1 3.69Å; R156-E160 PolarHBondContact NE-OE1 2.93Å; R156-E160 PolarHBondContact O-N 3.43Å |
| 157 | M | 96.4 | Very high | 96.3 | Very high | 18 Ų | 18 | 82.4 Ų | 82.4 | 9% | 0.089 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.7 | -32.7 | 179.2 | -72.3 | -178.7 | 69.7 | 0 | 0 | 112.9 | Q126 K129 L130 V133 L153 E154 E160 E161 | Q126-M157 PolarHBondContact NE2-O 2.7Å; K129-M157 VanDerWaalsContact C-CE 3.47Å; K129-M157 HydrophobicContact CB-CE 3.36Å; L130-M157 HydrophobicContact CB-CE 4.21Å; L130-M157 HydrophobicContact CD1-CB 3.65Å; V133-M157 HydrophobicContact CG2-SD 3.84Å; L153-M157 HydrophobicContact CD2-CG 4.3Å; L153-M157 HydrophobicContact CD2-SD 3.42Å; L153-M157 WeakPolarHBondContact CD2-SD 3.2Å; L153-M157 HydrophobicContact CG-SD 4.3Å; L153-M157 WeakPolarHBondContact O-CB 3.44Å; L153-M157 VanDerWaalsContact O-CG 3.32Å; L153-M157 WeakPolarHBondContact O-CG 3.38Å; L153-M157 PolarHBondContact O-N 2.92Å; E154-M157 PolarHBondContact O-N 2.84Å; E154-M157 VanDerWaalsContact O-N 3.17Å; M157-E160 PolarHBondContact O-N 3.46Å; M157-E161 WeakPolarHBondContact O-CB 3.21Å; M157-E161 PolarHBondContact O-N 2.91Å |
| 158 | L | 97 | Very high | 96.4 | Very high | 44 Ų | 44 | 81.4 Ų | 81.4 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 171.5 | -88.1 | 165.4 | 0 | 0 | 0 | 112.3 | L130 E154 H155 R156 E160 E161 K162 | L130-L158 HydrophobicContact CD1-CG 4.16Å; L130-L158 HydrophobicContact CD2-CD2 3.95Å; L130-L158 HydrophobicContact CD2-CG 4.21Å; E154-L158 HydrophobicContact CG-CD1 4.17Å; E154-L158 WeakPolarHBondContact O-CB 3.32Å; E154-L158 PolarHBondContact O-N 2.91Å; H155-L158 WeakPolarHBondContact O-CB 3.28Å; H155-L158 PolarHBondContact O-N 3.36Å; R156-L158 VanDerWaalsContact C-N 3.3Å; R156-L158 PolarHBondContact O-N 3.28Å; L158-E160 VanDerWaalsContact C-N 3.35Å; L158-E161 PolarHBondContact O-N 3.3Å; L158-K162 WeakPolarHBondContact O-CG 3.26Å; L158-K162 PolarHBondContact O-N 3.47Å |
| 159 | Q | 97.1 | Very high | 96.6 | Very high | 113 Ų | 113 | 79.8 Ų | 79.8 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 173.8 | -68.2 | -176.4 | 6.2 | 0 | 0 | 111.1 | H155 R156 K162 R163 | H155-Q159 PolarHBondContact CD2-NE2 3.47Å; H155-Q159 PolarHBondContact NE2-NE2 2.92Å; H155-Q159 WeakPolarHBondContact O-CG 3.25Å; H155-Q159 PolarHBondContact O-N 3.47Å; H155-Q159 VanDerWaalsContact O-N 3.09Å; R156-Q159 WeakPolarHBondContact O-CB 3.39Å; R156-Q159 PolarHBondContact O-N 2.88Å; R156-Q159 VanDerWaalsContact O-N 3.17Å; Q159-K162 PolarHBondContact O-N 3.11Å; Q159-R163 PolarHBondContact O-N 3.47Å |
| 160 | E | 96.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 81.3 Ų | 81.3 | 31% | 0.313 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 175 | -71.2 | 173.9 | -173.5 | 0 | 0 | 111.8 | Q126 R156 M157 L158 K162 R163 L164 | Q126-E160 PolarHBondContact NE2-OE2 2.94Å; R156-E160 IonicContact NE-OE1 3.69Å; R156-E160 PolarHBondContact NE-OE1 2.93Å; R156-E160 PolarHBondContact O-N 3.43Å; M157-E160 PolarHBondContact O-N 3.46Å; L158-E160 VanDerWaalsContact C-N 3.35Å; E160-K162 PolarHBondContact O-N 3.13Å; E160-R163 WeakPolarHBondContact O-CB 3.47Å; E160-R163 PolarHBondContact O-N 3.46Å; E160-R163 VanDerWaalsContact O-N 3.16Å; E160-L164 WeakPolarHBondContact O-CD1 3.34Å; E160-L164 PolarHBondContact O-N 3.12Å |
| 161 | E | 96.7 | Very high | 96.7 | Very high | 13 Ų | 13 | 80.4 Ų | 80.4 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.3 | -165.7 | -148.5 | 164.9 | 0 | 0 | 111.2 | L123 Q126 Q127 M157 L158 R163 L164 R165 | L123-E161 HydrophobicContact CD1-CG 4.28Å; Q126-E161 HydrophobicContact CG-CB 4.31Å; Q127-E161 HydrophobicContact CG-CG 4.21Å; Q127-E161 PolarHBondContact NE2-OE1 2.81Å; M157-E161 WeakPolarHBondContact O-CB 3.21Å; M157-E161 PolarHBondContact O-N 2.91Å; L158-E161 PolarHBondContact O-N 3.3Å; E161-R163 VanDerWaalsContact C-N 3.29Å; E161-R163 PolarHBondContact O-N 3.25Å; E161-L164 PolarHBondContact O-N 3.16Å; E161-R165 VanDerWaalsContact O-CB 3.31Å; E161-R165 WeakPolarHBondContact O-CB 3.3Å; E161-R165 PolarHBondContact O-N 3.16Å; E161-R165 IonicContact OE1-CZ 3.75Å; E161-R165 IonicContact OE1-NH2 3.85Å; E161-R165 PolarHBondContact OE1-NH2 3.44Å; E161-R165 IonicContact OE2-NH2 3.29Å |
| 162 | K | 97.4 | Very high | 96.8 | Very high | 133 Ų | 133 | 81 Ų | 81 | 58% | 0.578 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58.4 | -42.8 | 174.2 | -74.8 | 175.1 | -177.6 | -179.4 | 0 | 111.3 | L158 Q159 E160 R165 V166 | L158-K162 WeakPolarHBondContact O-CG 3.26Å; L158-K162 PolarHBondContact O-N 3.47Å; Q159-K162 PolarHBondContact O-N 3.11Å; E160-K162 PolarHBondContact O-N 3.13Å; K162-R165 PolarHBondContact O-N 3.11Å; K162-V166 WeakPolarHBondContact O-CG2 3.47Å; K162-V166 PolarHBondContact O-N 3.34Å |
| 163 | R | 97.3 | Very high | 96.9 | Very high | 184 Ų | 184 | 80.4 Ų | 80.4 | 69% | 0.694 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.1 | -46.4 | 176.9 | -170.2 | -171.8 | 73.9 | 141.1 | 2.3 | 111.8 | Q159 E160 E161 R165 V166 A167 | Q159-R163 PolarHBondContact O-N 3.47Å; E160-R163 WeakPolarHBondContact O-CB 3.47Å; E160-R163 PolarHBondContact O-N 3.46Å; E160-R163 VanDerWaalsContact O-N 3.16Å; E161-R163 VanDerWaalsContact C-N 3.29Å; E161-R163 PolarHBondContact O-N 3.25Å; R163-R165 VanDerWaalsContact C-N 3.33Å; R163-V166 PolarHBondContact O-N 3.47Å; R163-A167 PolarHBondContact O-N 3.45Å |
| 164 | L | 97.4 | Very high | 96.9 | Very high | 32 Ų | 32 | 78.4 Ų | 78.4 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 176.6 | -82.7 | 147.6 | 0 | 0 | 0 | 111.8 | N122 L123 Q126 E160 E161 A167 Y168 | N122-L164 HydrophobicContact CB-CD2 3.63Å; L123-L164 HydrophobicContact CD1-CB 3.88Å; Q126-L164 HydrophobicContact CB-CD1 3.81Å; Q126-L164 HydrophobicContact CG-CD1 3.84Å; E160-L164 WeakPolarHBondContact O-CD1 3.34Å; E160-L164 PolarHBondContact O-N 3.12Å; E161-L164 PolarHBondContact O-N 3.16Å; L164-A167 WeakPolarHBondContact O-CB 3.2Å; L164-A167 PolarHBondContact O-N 3.39Å; L164-Y168 WeakPolarHBondContact O-CB 3.45Å; L164-Y168 PolarHBondContact O-N 3.27Å |
| 165 | R | 97.6 | Very high | 97 | Very high | 120 Ų | 120 | 78.1 Ų | 78.1 | 45% | 0.453 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.8 | -169.6 | -178.9 | -63.1 | 170 | -0.7 | 111.9 | L123 E161 K162 R163 A167 Y168 M169 | L123-R165 HydrophobicContact CD1-CB 3.99Å; E161-R165 VanDerWaalsContact O-CB 3.31Å; E161-R165 WeakPolarHBondContact O-CB 3.3Å; E161-R165 PolarHBondContact O-N 3.16Å; E161-R165 IonicContact OE1-CZ 3.75Å; E161-R165 IonicContact OE1-NH2 3.85Å; E161-R165 PolarHBondContact OE1-NH2 3.44Å; E161-R165 IonicContact OE2-NH2 3.29Å; K162-R165 PolarHBondContact O-N 3.11Å; R163-R165 VanDerWaalsContact C-N 3.33Å; R165-A167 VanDerWaalsContact C-N 3.32Å; R165-A167 PolarHBondContact O-N 3.1Å; R165-Y168 PolarHBondContact O-N 3.35Å; R165-M169 WeakPolarHBondContact O-CG 3.35Å; R165-M169 PolarHBondContact O-N 3.36Å |
| 166 | V | 97.7 | Very high | 96.9 | Very high | 86 Ų | 86 | 80.3 Ų | 80.3 | 52% | 0.521 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 174.3 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | K162 R163 R170 | K162-V166 WeakPolarHBondContact O-CG2 3.47Å; K162-V166 PolarHBondContact O-N 3.34Å; R163-V166 PolarHBondContact O-N 3.47Å; V166-R170 PolarHBondContact O-N 3.37Å |
| 167 | A | 96.1 | Very high | 96.9 | Very high | 43 Ų | 43 | 78.5 Ų | 78.5 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | R163 L164 R165 R170 A171 | R163-A167 PolarHBondContact O-N 3.45Å; L164-A167 WeakPolarHBondContact O-CB 3.2Å; L164-A167 PolarHBondContact O-N 3.39Å; R165-A167 VanDerWaalsContact C-N 3.32Å; R165-A167 PolarHBondContact O-N 3.1Å; A167-R170 PolarHBondContact O-N 3.32Å; A167-A171 PolarHBondContact O-N 2.92Å |
| 168 | Y | 97.9 | Very high | 96.9 | Very high | 40 Ų | 40 | 81.2 Ų | 81.2 | 16% | 0.157 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.1 | -49.4 | 174.2 | 173.7 | -100.1 | 0 | 0 | 0 | 111.9 | V116 A119 R120 L164 R165 R170 A171 E172 | V116-Y168 HydrophobicContact CG1-CE2 3.95Å; A119-Y168 HydrophobicContact CB-CD2 4.13Å; R120-Y168 HydrophobicContact CB-CD2 4.07Å; R120-Y168 HydrophobicContact CB-CE2 3.75Å; R120-Y168 HydrophobicContact CG-CE2 4.3Å; L164-Y168 WeakPolarHBondContact O-CB 3.45Å; L164-Y168 PolarHBondContact O-N 3.27Å; R165-Y168 PolarHBondContact O-N 3.35Å; Y168-R170 VanDerWaalsContact C-N 3.3Å; Y168-R170 PolarHBondContact O-N 3.48Å; Y168-A171 WeakPolarHBondContact O-CB 3.1Å; Y168-A171 PolarHBondContact O-N 3.18Å; Y168-E172 HydrophobicContact CD1-CG 4.43Å; Y168-E172 HydrophobicContact CE1-CG 3.85Å; Y168-E172 WeakPolarHBondContact CE1-OE2 3.32Å; Y168-E172 HydrophobicContact CE2-CG 4.07Å; Y168-E172 VanDerWaalsContact CZ-OE1 3.32Å; Y168-E172 PolarHBondContact O-N 3.42Å; Y168-E172 PolarHBondContact OH-OE1 3.13Å |
| 169 | M | 97.6 | Very high | 96.8 | Very high | 90 Ų | 90 | 84.2 Ų | 84.2 | 44% | 0.443 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.4 | -44 | 176.7 | -70.3 | -61.2 | -55.2 | 0 | 0 | 111.7 | R165 A171 E172 D173 | R165-M169 WeakPolarHBondContact O-CG 3.35Å; R165-M169 PolarHBondContact O-N 3.36Å; M169-A171 VanDerWaalsContact C-N 3.31Å; M169-A171 PolarHBondContact O-N 3.09Å; M169-E172 PolarHBondContact O-N 2.92Å; M169-D173 PolarHBondContact O-N 2.96Å |
| 170 | R | 96.7 | Very high | 96.7 | Very high | 174 Ų | 174 | 82.2 Ų | 82.2 | 66% | 0.657 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | 176 | -175.6 | -176.1 | -64.8 | 140.9 | 0.2 | 112.2 | V166 A167 Y168 S174 | V166-R170 PolarHBondContact O-N 3.37Å; A167-R170 PolarHBondContact O-N 3.32Å; Y168-R170 VanDerWaalsContact C-N 3.3Å; Y168-R170 PolarHBondContact O-N 3.48Å; R170-S174 WeakPolarHBondContact O-CB 3.21Å; R170-S174 PolarHBondContact O-N 3.41Å |
| 171 | A | 96.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 84.2 Ų | 84.2 | 11% | 0.107 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V116 A119 A167 Y168 M169 S174 E175 | V116-A171 HydrophobicContact CG2-CB 3.79Å; V116-A171 VanDerWaalsContact CG2-O 3.28Å; V116-A171 WeakPolarHBondContact CG2-O 3.05Å; A119-A171 HydrophobicContact CB-CB 4.32Å; A167-A171 PolarHBondContact O-N 2.92Å; Y168-A171 WeakPolarHBondContact O-CB 3.1Å; Y168-A171 PolarHBondContact O-N 3.18Å; M169-A171 VanDerWaalsContact C-N 3.31Å; M169-A171 PolarHBondContact O-N 3.09Å; A171-S174 PolarHBondContact O-N 3.27Å; A171-S174 PolarHBondContact O-OG 3.41Å; A171-E175 PolarHBondContact O-N 2.91Å |
| 172 | E | 97.3 | Very high | 96.3 | Very high | 43 Ų | 43 | 85.6 Ų | 85.6 | 20% | 0.201 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 175.9 | -77.4 | -167.9 | 129.2 | 0 | 0 | 112.2 | V116 Y168 M169 S174 E175 R176 | V116-E172 HydrophobicContact CG1-CG 4.06Å; V116-E172 HydrophobicContact CG2-CG 4.46Å; Y168-E172 HydrophobicContact CD1-CG 4.43Å; Y168-E172 HydrophobicContact CE1-CG 3.85Å; Y168-E172 WeakPolarHBondContact CE1-OE2 3.32Å; Y168-E172 HydrophobicContact CE2-CG 4.07Å; Y168-E172 VanDerWaalsContact CZ-OE1 3.32Å; Y168-E172 PolarHBondContact O-N 3.42Å; Y168-E172 PolarHBondContact OH-OE1 3.13Å; M169-E172 PolarHBondContact O-N 2.92Å; E172-S174 VanDerWaalsContact C-N 3.29Å; E172-S174 PolarHBondContact O-N 2.9Å; E172-E175 PolarHBondContact O-N 2.76Å; E172-R176 VanDerWaalsContact O-CG 3.29Å; E172-R176 WeakPolarHBondContact O-CG 3.13Å; E172-R176 PolarHBondContact O-N 3.19Å |
| 173 | D | 97.3 | Very high | 96.1 | Very high | 78 Ų | 78 | 80.5 Ų | 80.5 | 42% | 0.417 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 176.4 | -70.1 | -26.3 | 0 | 0 | 0 | 110.6 | M169 E175 R176 E177 | M169-D173 PolarHBondContact O-N 2.96Å; D173-E175 PolarHBondContact O-N 3.37Å; D173-R176 PolarHBondContact O-N 3.14Å; D173-E177 WeakPolarHBondContact O-CG 3.5Å; D173-E177 PolarHBondContact O-N 3.48Å |
| 174 | S | 94.7 | Very high | 95.7 | Very high | 38 Ų | 38 | 74.1 Ų | 74.1 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 175.6 | 79.4 | 0 | 0 | 0 | 0 | 113.1 | R170 A171 E172 E177 K178 | R170-S174 WeakPolarHBondContact O-CB 3.21Å; R170-S174 PolarHBondContact O-N 3.41Å; A171-S174 PolarHBondContact O-N 3.27Å; A171-S174 PolarHBondContact O-OG 3.41Å; E172-S174 VanDerWaalsContact C-N 3.29Å; E172-S174 PolarHBondContact O-N 2.9Å; S174-E177 PolarHBondContact O-N 3.42Å; S174-K178 WeakPolarHBondContact O-CG 3.36Å; S174-K178 PolarHBondContact O-N 3.07Å |
| 175 | E | 97.1 | Very high | 95.3 | Very high | 31 Ų | 31 | 73.3 Ų | 73.3 | 15% | 0.145 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 173.9 | -179.4 | -174.5 | -166.7 | 0 | 0 | 110.4 | F109 A112 R113 V116 A171 E172 D173 E177 K178 F179 | F109-E175 HydrophobicContact CD2-CG 4.26Å; F109-E175 HydrophobicContact CE2-CG 3.64Å; A112-E175 HydrophobicContact CB-CB 4.34Å; R113-E175 WeakPolarHBondContact CG-OE1 3.42Å; R113-E175 IonicContact NH1-OE1 3.55Å; R113-E175 PolarHBondContact NH1-OE1 3.12Å; V116-E175 HydrophobicContact CG2-CB 3.76Å; V116-E175 HydrophobicContact CG2-CG 4.49Å; V116-E175 WeakPolarHBondContact CG2-OE2 3.44Å; A171-E175 PolarHBondContact O-N 2.91Å; E172-E175 PolarHBondContact O-N 2.76Å; D173-E175 PolarHBondContact O-N 3.37Å; E175-E177 PolarHBondContact O-N 2.67Å; E175-K178 PolarHBondContact O-N 3.02Å; E175-F179 VanDerWaalsContact O-CB 3.27Å; E175-F179 WeakPolarHBondContact O-CB 3.41Å; E175-F179 PolarHBondContact O-N 2.84Å |
| 176 | R | 96.9 | Very high | 94.8 | Very high | 161 Ų | 161 | 69.5 Ų | 69.5 | 61% | 0.608 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.6 | -43.4 | 178.2 | -69.9 | 171 | -175.1 | -151.2 | 4 | 112 | E172 D173 F179 S180 | E172-R176 VanDerWaalsContact O-CG 3.29Å; E172-R176 WeakPolarHBondContact O-CG 3.13Å; E172-R176 PolarHBondContact O-N 3.19Å; D173-R176 PolarHBondContact O-N 3.14Å; R176-F179 PolarHBondContact O-N 2.83Å; R176-S180 WeakPolarHBondContact O-CB 3.48Å; R176-S180 PolarHBondContact O-N 3.27Å |
| 177 | E | 95.7 | Very high | 94.3 | Very high | 128 Ų | 128 | 74 Ų | 74 | 60% | 0.598 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.1 | -47.2 | 175.7 | -73 | 177.1 | -174.7 | 0 | 0 | 111.6 | D173 S174 E175 F179 S180 L181 | D173-E177 WeakPolarHBondContact O-CG 3.5Å; D173-E177 PolarHBondContact O-N 3.48Å; S174-E177 PolarHBondContact O-N 3.42Å; E175-E177 PolarHBondContact O-N 2.67Å; E177-F179 VanDerWaalsContact C-N 3.35Å; E177-F179 PolarHBondContact O-N 3.11Å; E177-S180 WeakPolarHBondContact O-CB 3.47Å; E177-S180 PolarHBondContact O-N 3.34Å; E177-L181 PolarHBondContact O-N 3.5Å; E177-L181 VanDerWaalsContact O-N 3.09Å |
| 178 | K | 95.5 | Very high | 93.6 | Very high | 74 Ų | 74 | 76.2 Ų | 76.2 | 32% | 0.322 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.3 | -34.2 | 178.6 | -62.1 | -43.7 | 177.5 | 81 | 0 | 112.5 | V108 F109 A112 S174 E175 L181 F182 | V108-K178 HydrophobicContact CG1-CD 3.75Å; V108-K178 HydrophobicContact CG1-CG 3.93Å; F109-K178 HydrophobicContact CB-CB 4.39Å; F109-K178 HydrophobicContact CD2-CB 4.48Å; A112-K178 HydrophobicContact CB-CB 4.31Å; A112-K178 HydrophobicContact CB-CG 4.15Å; S174-K178 WeakPolarHBondContact O-CG 3.36Å; S174-K178 PolarHBondContact O-N 3.07Å; E175-K178 PolarHBondContact O-N 3.02Å; K178-L181 HydrophobicContact CD-CD1 4.18Å; K178-L181 PolarHBondContact O-N 2.85Å; K178-F182 WeakPolarHBondContact O-CB 3.48Å; K178-F182 PolarHBondContact O-N 3.39Å |
| 179 | F | 95.7 | Very high | 92.4 | Very high | 107 Ų | 107 | 75.1 Ų | 75.1 | 47% | 0.469 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 171.8 | -178.4 | -105.3 | 0 | 0 | 0 | 111.6 | F109 E175 R176 E177 L181 F182 S183 | F109-F179 HydrophobicContact CD2-CB 3.85Å; F109-F179 HydrophobicContact CD2-CD2 4.33Å; F109-F179 HydrophobicContact CE1-CD2 4.32Å; F109-F179 HydrophobicContact CE2-CB 3.62Å; F109-F179 AromaticContact CE2-CD2 3.78Å; F109-F179 HydrophobicContact CE2-CD2 3.78Å; F109-F179 HydrophobicContact CE2-CG 4.14Å; F109-F179 HydrophobicContact CZ-CB 4.46Å; F109-F179 AromaticContact CZ-CD2 3.77Å; F109-F179 HydrophobicContact CZ-CD2 3.77Å; E175-F179 VanDerWaalsContact O-CB 3.27Å; E175-F179 WeakPolarHBondContact O-CB 3.41Å; E175-F179 PolarHBondContact O-N 2.84Å; R176-F179 PolarHBondContact O-N 2.83Å; E177-F179 VanDerWaalsContact C-N 3.35Å; E177-F179 PolarHBondContact O-N 3.11Å; F179-L181 PolarHBondContact O-N 2.81Å; F179-F182 PolarHBondContact O-N 2.77Å; F179-S183 VanDerWaalsContact O-CB 3.3Å; F179-S183 WeakPolarHBondContact O-CB 2.93Å; F179-S183 PolarHBondContact O-N 2.74Å; F179-S183 PolarHBondContact O-OG 2.86Å |
| 180 | S | 94.1 | Very high | 91.4 | Very high | 71 Ų | 71 | 75.7 Ų | 75.7 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.9 | -49.2 | 175.5 | -173.8 | 0 | 0 | 0 | 0 | 110.9 | R176 E177 F182 S183 A184 | R176-S180 WeakPolarHBondContact O-CB 3.48Å; R176-S180 PolarHBondContact O-N 3.27Å; E177-S180 WeakPolarHBondContact O-CB 3.47Å; E177-S180 PolarHBondContact O-N 3.34Å; S180-F182 PolarHBondContact O-N 3.16Å; S180-S183 PolarHBondContact O-N 2.95Å; S180-S183 PolarHBondContact O-OG 2.81Å; S180-A184 WeakPolarHBondContact O-CB 3.44Å; S180-A184 PolarHBondContact O-N 3.33Å |
| 181 | L | 92.4 | Very high | 90.1 | Very high | 110 Ų | 110 | 74 Ų | 74 | 58% | 0.576 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 176.7 | -68 | 175 | 0 | 0 | 0 | 112.7 | E177 K178 F179 A184 A185 | E177-L181 PolarHBondContact O-N 3.5Å; E177-L181 VanDerWaalsContact O-N 3.09Å; K178-L181 HydrophobicContact CD-CD1 4.18Å; K178-L181 PolarHBondContact O-N 2.85Å; F179-L181 PolarHBondContact O-N 2.81Å; L181-A184 PolarHBondContact O-N 2.8Å; L181-A185 WeakPolarHBondContact O-CB 3.35Å; L181-A185 PolarHBondContact O-N 2.82Å |
| 182 | F | 93.9 | Very high | 88.7 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 18% | 0.18 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 175.6 | 171.9 | -114.6 | 0 | 0 | 0 | 111.6 | V102 A105 E106 F109 K178 F179 S180 A184 A185 V186 | V102-F182 HydrophobicContact CG1-CE2 3.92Å; A105-F182 HydrophobicContact CB-CB 4.18Å; A105-F182 HydrophobicContact CB-CD2 4.18Å; E106-F182 HydrophobicContact CB-CD2 3.96Å; E106-F182 HydrophobicContact CB-CE2 3.62Å; E106-F182 HydrophobicContact CB-CZ 4.39Å; E106-F182 HydrophobicContact CG-CE2 4.07Å; E106-F182 HydrophobicContact CG-CZ 4.36Å; F109-F182 HydrophobicContact CB-CB 4.4Å; K178-F182 WeakPolarHBondContact O-CB 3.48Å; K178-F182 PolarHBondContact O-N 3.39Å; F179-F182 PolarHBondContact O-N 2.77Å; S180-F182 PolarHBondContact O-N 3.16Å; F182-A184 VanDerWaalsContact C-N 3.3Å; F182-A184 PolarHBondContact O-N 3.41Å; F182-A185 PolarHBondContact O-N 3.32Å; F182-V186 HydrophobicContact CD2-CG2 4.07Å; F182-V186 HydrophobicContact CE1-CG2 4.22Å; F182-V186 HydrophobicContact CE2-CG2 3.64Å; F182-V186 HydrophobicContact CZ-CG2 3.74Å; F182-V186 VanDerWaalsContact O-CG2 3.29Å; F182-V186 WeakPolarHBondContact O-CG2 3.06Å; F182-V186 PolarHBondContact O-N 3.1Å |
| 183 | S | 91.6 | Very high | 86.9 | Confident | 26 Ų | 26 | 78.9 Ų | 78.9 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.4 | -35 | 179.1 | 76.6 | 0 | 0 | 0 | 0 | 112.7 | F179 S180 R187 | F179-S183 VanDerWaalsContact O-CB 3.3Å; F179-S183 WeakPolarHBondContact O-CB 2.93Å; F179-S183 PolarHBondContact O-N 2.74Å; F179-S183 PolarHBondContact O-OG 2.86Å; S180-S183 PolarHBondContact O-N 2.95Å; S180-S183 PolarHBondContact O-OG 2.81Å; S183-R187 WeakPolarHBondContact O-CG 2.93Å; S183-R187 PolarHBondContact O-N 3.4Å; S183-R187 VanDerWaalsContact O-N 3.09Å |
| 184 | A | 90.1 | Very high | 85.1 | Confident | 51 Ų | 51 | 84.9 Ų | 84.9 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.2 | -48 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S180 L181 F182 V186 R187 E188 | S180-A184 WeakPolarHBondContact O-CB 3.44Å; S180-A184 PolarHBondContact O-N 3.33Å; L181-A184 PolarHBondContact O-N 2.8Å; F182-A184 VanDerWaalsContact C-N 3.3Å; F182-A184 PolarHBondContact O-N 3.41Å; A184-V186 VanDerWaalsContact C-N 3.3Å; A184-V186 PolarHBondContact O-N 3.07Å; A184-R187 PolarHBondContact O-N 2.75Å; A184-E188 PolarHBondContact O-N 3.25Å |
| 185 | A | 87.7 | Confident | 83.3 | Confident | 15 Ų | 15 | 85.4 Ų | 85.4 | 12% | 0.124 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V102 A105 L181 F182 E188 S189 | V102-A185 HydrophobicContact CG2-CB 4Å; V102-A185 WeakPolarHBondContact CG2-O 3.26Å; A105-A185 HydrophobicContact CB-CB 4.42Å; L181-A185 WeakPolarHBondContact O-CB 3.35Å; L181-A185 PolarHBondContact O-N 2.82Å; F182-A185 PolarHBondContact O-N 3.32Å; A185-E188 PolarHBondContact O-N 3.3Å; A185-S189 WeakPolarHBondContact O-CB 3.33Å; A185-S189 PolarHBondContact O-N 3.49Å |
| 186 | V | 88.4 | Confident | 81.2 | Confident | 40 Ų | 40 | 87.9 Ų | 87.9 | 24% | 0.242 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 175.9 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | V102 F182 A184 S189 H190 | V102-V186 HydrophobicContact CG1-CG2 3.84Å; V102-V186 HydrophobicContact CG2-CG2 4.27Å; F182-V186 HydrophobicContact CD2-CG2 4.07Å; F182-V186 HydrophobicContact CE1-CG2 4.22Å; F182-V186 HydrophobicContact CE2-CG2 3.64Å; F182-V186 HydrophobicContact CZ-CG2 3.74Å; F182-V186 VanDerWaalsContact O-CG2 3.29Å; F182-V186 WeakPolarHBondContact O-CG2 3.06Å; F182-V186 PolarHBondContact O-N 3.1Å; A184-V186 VanDerWaalsContact C-N 3.3Å; A184-V186 PolarHBondContact O-N 3.07Å; V186-S189 PolarHBondContact O-N 3.37Å; V186-H190 PolarHBondContact O-CD2 3.14Å; V186-H190 PolarHBondContact O-N 2.93Å; V186-H190 VanDerWaalsContact O-N 3.13Å |
| 187 | R | 87.5 | Confident | 79.1 | Confident | 181 Ų | 181 | 83 Ų | 83 | 68% | 0.683 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.6 | -45 | 176.1 | -75.7 | 177.2 | -179.1 | 141.5 | -0.1 | 111.9 | S183 A184 S189 H190 E191 | S183-R187 WeakPolarHBondContact O-CG 2.93Å; S183-R187 PolarHBondContact O-N 3.4Å; S183-R187 VanDerWaalsContact O-N 3.09Å; A184-R187 PolarHBondContact O-N 2.75Å; R187-S189 VanDerWaalsContact C-N 3.3Å; R187-S189 PolarHBondContact O-N 3.49Å; R187-H190 PolarHBondContact O-N 2.98Å; R187-E191 PolarHBondContact O-N 3.16Å |
| 188 | E | 80.2 | Confident | 77.1 | Confident | 88 Ų | 88 | 83.4 Ų | 83.4 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 177.4 | -173.3 | -176.8 | 168.2 | 0 | 0 | 111.6 | A184 A185 H190 E191 K192 | A184-E188 PolarHBondContact O-N 3.25Å; A185-E188 PolarHBondContact O-N 3.3Å; E188-H190 PolarHBondContact O-N 2.95Å; E188-E191 PolarHBondContact O-N 2.74Å; E188-K192 HydrophobicContact CG-CD 4.33Å; E188-K192 WeakPolarHBondContact O-CG 3.3Å; E188-K192 PolarHBondContact O-N 3.47Å; E188-K192 WeakPolarHBondContact OE1-CE 3.12Å; E188-K192 IonicContact OE1-NZ 3.81Å; E188-K192 PolarHBondContact OE1-NZ 3.27Å |
| 189 | S | 74.3 | Confident | 75.4 | Confident | 17 Ų | 17 | 83.9 Ų | 83.9 | 12% | 0.119 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 112 | A185 V186 R187 E191 K192 E193 | A185-S189 WeakPolarHBondContact O-CB 3.33Å; A185-S189 PolarHBondContact O-N 3.49Å; V186-S189 PolarHBondContact O-N 3.37Å; R187-S189 VanDerWaalsContact C-N 3.3Å; R187-S189 PolarHBondContact O-N 3.49Å; S189-E191 VanDerWaalsContact C-N 3.34Å; S189-K192 PolarHBondContact O-N 3.24Å; S189-E193 WeakPolarHBondContact O-CB 3.44Å; S189-E193 PolarHBondContact O-N 2.98Å |
| 190 | H | 76.4 | Confident | 73.7 | Confident | 103 Ų | 103 | 83.4 Ų | 83.4 | 48% | 0.477 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.5 | -32.5 | 178.1 | -76.8 | -58.8 | 0 | 0 | 0 | 113.2 | V186 R187 E188 E193 R194 | V186-H190 PolarHBondContact O-CD2 3.14Å; V186-H190 PolarHBondContact O-N 2.93Å; V186-H190 VanDerWaalsContact O-N 3.13Å; R187-H190 PolarHBondContact O-N 2.98Å; E188-H190 PolarHBondContact O-N 2.95Å; H190-E193 IonicContact ND1-OE2 3.45Å; H190-E193 PolarHBondContact O-N 2.81Å; H190-R194 PolarHBondContact O-N 3.46Å |
| 191 | E | 68.1 | Low | 71.9 | Confident | 137 Ų | 137 | 87.1 Ų | 87.1 | 64% | 0.64 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.2 | -44.4 | 175.5 | -169.4 | 166.5 | -168 | 0 | 0 | 111.2 | R187 E188 S189 E193 R194 T195 | R187-E191 PolarHBondContact O-N 3.16Å; E188-E191 PolarHBondContact O-N 2.74Å; S189-E191 VanDerWaalsContact C-N 3.34Å; E191-E193 VanDerWaalsContact C-N 3.28Å; E191-E193 PolarHBondContact O-N 3.3Å; E191-R194 PolarHBondContact O-N 3.29Å; E191-R194 VanDerWaalsContact O-N 3.16Å; E191-T195 PolarHBondContact O-N 2.98Å |
| 192 | K | 67.2 | Low | 70.6 | Confident | 49 Ų | 49 | 84.9 Ų | 84.9 | 21% | 0.213 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 174.2 | -71.6 | 178.1 | -177.8 | 174.7 | 0 | 112.3 | V95 A98 E188 S189 R194 T195 R196 | V95-K192 HydrophobicContact CG2-CB 4.22Å; A98-K192 HydrophobicContact CB-CD 3.83Å; E188-K192 HydrophobicContact CG-CD 4.33Å; E188-K192 WeakPolarHBondContact O-CG 3.3Å; E188-K192 PolarHBondContact O-N 3.47Å; E188-K192 WeakPolarHBondContact OE1-CE 3.12Å; E188-K192 IonicContact OE1-NZ 3.81Å; E188-K192 PolarHBondContact OE1-NZ 3.27Å; S189-K192 PolarHBondContact O-N 3.24Å; K192-R194 PolarHBondContact O-N 3.18Å; K192-T195 PolarHBondContact O-N 2.9Å; K192-T195 PolarHBondContact O-OG1 2.77Å; K192-R196 PolarHBondContact O-N 3.17Å |
| 193 | E | 61 | Low | 69.6 | Low | 111 Ų | 111 | 87.1 Ų | 87.1 | 52% | 0.519 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 173.9 | -168.3 | 173.6 | -163.1 | 0 | 0 | 112.5 | S189 H190 E191 T195 R196 | S189-E193 WeakPolarHBondContact O-CB 3.44Å; S189-E193 PolarHBondContact O-N 2.98Å; H190-E193 IonicContact ND1-OE2 3.45Å; H190-E193 PolarHBondContact O-N 2.81Å; E191-E193 VanDerWaalsContact C-N 3.28Å; E191-E193 PolarHBondContact O-N 3.3Å; E193-T195 VanDerWaalsContact C-N 3.33Å; E193-T195 PolarHBondContact O-N 3.23Å; E193-R196 VanDerWaalsContact O-CB 3.31Å; E193-R196 WeakPolarHBondContact O-CB 3.37Å; E193-R196 PolarHBondContact O-N 3.24Å; E193-R196 VanDerWaalsContact O-N 3.16Å |
| 194 | R | 58.3 | Low | 68.5 | Low | 203 Ų | 203 | 90.3 Ų | 90.3 | 77% | 0.766 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65 | -36.3 | 174.9 | -70.9 | 178.8 | -178.8 | 167 | 1 | 112.4 | H190 E191 K192 R196 A197 | H190-R194 PolarHBondContact O-N 3.46Å; E191-R194 PolarHBondContact O-N 3.29Å; E191-R194 VanDerWaalsContact O-N 3.16Å; K192-R194 PolarHBondContact O-N 3.18Å; R194-R196 PolarHBondContact O-N 3.48Å; R194-A197 PolarHBondContact O-N 3.21Å |
| 195 | T | 56.6 | Low | 67.7 | Low | 49 Ų | 49 | 93.3 Ų | 93.3 | 30% | 0.301 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68 | -11.6 | 176.1 | 73 | 0 | 0 | 0 | 0 | 114 | E191 K192 E193 R199 | E191-T195 PolarHBondContact O-N 2.98Å; K192-T195 PolarHBondContact O-N 2.9Å; K192-T195 PolarHBondContact O-OG1 2.77Å; E193-T195 VanDerWaalsContact C-N 3.33Å; E193-T195 PolarHBondContact O-N 3.23Å; T195-R199 VanDerWaalsContact CB-NH1 3.32Å; T195-R199 PolarHBondContact O-NH1 2.88Å; T195-R199 PolarHBondContact OG1-NH1 3.33Å |
| 196 | R | 53.2 | Low | 67.1 | Low | 83 Ų | 83 | 96.1 Ų | 96.1 | 31% | 0.313 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -74.8 | -31.4 | 173.7 | -71.6 | -172.5 | 156.2 | -155.6 | -0.2 | 113.9 | V95 K192 E193 R194 E198 R199 T200 | V95-R196 HydrophobicContact CG2-CG 4.15Å; K192-R196 PolarHBondContact O-N 3.17Å; E193-R196 VanDerWaalsContact O-CB 3.31Å; E193-R196 WeakPolarHBondContact O-CB 3.37Å; E193-R196 PolarHBondContact O-N 3.24Å; E193-R196 VanDerWaalsContact O-N 3.16Å; R194-R196 PolarHBondContact O-N 3.48Å; R196-E198 PolarHBondContact O-N 3Å; R196-R199 PolarHBondContact O-N 2.96Å; R196-T200 PolarHBondContact O-N 3.49Å; R196-T200 PolarHBondContact O-OG1 3.02Å |
| 197 | A | 53.7 | Low | 66.7 | Low | 60 Ų | 60 | 96.2 Ų | 96.2 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66 | -24.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | R194 K201 | R194-A197 PolarHBondContact O-N 3.21Å; A197-K201 WeakPolarHBondContact O-CD 3.09Å; A197-K201 WeakPolarHBondContact O-CE 3.35Å; A197-K201 WeakPolarHBondContact O-CG 3.29Å |
| 198 | E | 53.8 | Low | 66.4 | Low | 135 Ų | 135 | 91.4 Ų | 91.4 | 63% | 0.631 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -87.3 | -40.9 | 179.3 | -63.1 | -179.5 | 173.5 | 0 | 0 | 112 | R196 K201 | R196-E198 PolarHBondContact O-N 3Å; E198-K201 WeakPolarHBondContact O-CB 3.33Å; E198-K201 PolarHBondContact O-N 2.95Å |
| 199 | R | 58.2 | Low | 66.6 | Low | 85 Ų | 85 | 90.9 Ų | 90.9 | 32% | 0.321 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.8 | -31.3 | -178.9 | -64.3 | -171.4 | -175.6 | 98.8 | -16 | 113.7 | T195 R196 K201 N202 W203 | T195-R199 VanDerWaalsContact CB-NH1 3.32Å; T195-R199 PolarHBondContact O-NH1 2.88Å; T195-R199 PolarHBondContact OG1-NH1 3.33Å; R196-R199 PolarHBondContact O-N 2.96Å; R199-K201 VanDerWaalsContact C-N 3.27Å; R199-K201 PolarHBondContact O-N 3.41Å; R199-N202 PolarHBondContact O-N 2.73Å; R199-W203 PolarHBondContact O-N 3.4Å |
| 200 | T | 59.9 | Low | 67 | Low | 97 Ų | 97 | 94.8 Ų | 94.8 | 60% | 0.595 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.2 | -27.7 | 175.8 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | R196 N202 W203 | R196-T200 PolarHBondContact O-N 3.49Å; R196-T200 PolarHBondContact O-OG1 3.02Å; T200-N202 VanDerWaalsContact C-N 3.34Å; T200-W203 WeakPolarHBondContact O-CB 3.36Å; T200-W203 PolarHBondContact O-N 2.93Å |
| 201 | K | 58.3 | Low | 67.6 | Low | 148 Ų | 148 | 92 Ų | 92 | 64% | 0.643 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.8 | -36.6 | 175.3 | -66.9 | 172.2 | -175.8 | 173.5 | 0 | 111.8 | A197 E198 R199 W203 S204 | A197-K201 WeakPolarHBondContact O-CD 3.09Å; A197-K201 WeakPolarHBondContact O-CE 3.35Å; A197-K201 WeakPolarHBondContact O-CG 3.29Å; E198-K201 WeakPolarHBondContact O-CB 3.33Å; E198-K201 PolarHBondContact O-N 2.95Å; R199-K201 VanDerWaalsContact C-N 3.27Å; R199-K201 PolarHBondContact O-N 3.41Å; K201-W203 VanDerWaalsContact C-N 3.27Å; K201-W203 PolarHBondContact O-N 2.86Å; K201-S204 PolarHBondContact O-N 3.32Å |
| 202 | N | 64.8 | Low | 68.6 | Low | 63 Ų | 63 | 88.2 Ų | 88.2 | 34% | 0.337 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.4 | -26.5 | 178 | -63.2 | -26.4 | 0 | 0 | 0 | 112.3 | R199 T200 L205 I206 | R199-N202 PolarHBondContact O-N 2.73Å; T200-N202 VanDerWaalsContact C-N 3.34Å; N202-L205 PolarHBondContact O-N 3.41Å; N202-I206 WeakPolarHBondContact O-CD1 3.26Å; N202-I206 VanDerWaalsContact O-CG1 3.29Å; N202-I206 WeakPolarHBondContact O-CG1 3.32Å; N202-I206 PolarHBondContact O-N 3.4Å |
| 203 | W | 72.9 | Confident | 69.4 | Low | 89 Ų | 89 | 90.8 Ų | 90.8 | 34% | 0.337 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 175.7 | -98 | 82.5 | 0 | 0 | 0 | 113.8 | Y86 F89 V90 R199 T200 K201 L205 I206 G207 | Y86-W203 AromaticContact CD2-CH2 3.29Å; Y86-W203 HydrophobicContact CD2-CH2 3.29Å; Y86-W203 AromaticContact CD2-CZ2 3.11Å; Y86-W203 HydrophobicContact CD2-CZ2 3.11Å; Y86-W203 HydrophobicContact CD2-CZ3 4.35Å; Y86-W203 HydrophobicContact CE2-CD2 4.38Å; Y86-W203 AromaticContact CE2-CE2 3.69Å; Y86-W203 HydrophobicContact CE2-CE3 4.35Å; Y86-W203 AromaticContact CE2-CH2 3.06Å; Y86-W203 HydrophobicContact CE2-CH2 3.06Å; Y86-W203 AromaticContact CE2-CZ2 3.02Å; Y86-W203 HydrophobicContact CE2-CZ2 3.02Å; Y86-W203 AromaticContact CE2-CZ3 3.71Å; Y86-W203 HydrophobicContact CE2-CZ3 3.71Å; Y86-W203 HydrophobicContact CG-CZ2 4.42Å; F89-W203 AromaticContact CD1-NE1 3.74Å; F89-W203 AromaticContact CE1-NE1 3.8Å; V90-W203 HydrophobicContact CG2-CZ2 4.08Å; V90-W203 VanDerWaalsContact CG2-NE1 3.33Å; R199-W203 PolarHBondContact O-N 3.4Å; T200-W203 WeakPolarHBondContact O-CB 3.36Å; T200-W203 PolarHBondContact O-N 2.93Å; K201-W203 VanDerWaalsContact C-N 3.27Å; K201-W203 PolarHBondContact O-N 2.86Å; W203-L205 VanDerWaalsContact C-N 3.26Å; W203-L205 PolarHBondContact O-N 2.97Å; W203-I206 PolarHBondContact O-N 3.49Å; W203-G207 PolarHBondContact O-N 3.39Å |
| 204 | S | 67.1 | Low | 70.7 | Confident | 93 Ų | 93 | 90.8 Ų | 90.8 | 65% | 0.65 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.8 | -38.3 | 175.4 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | K201 S208 | K201-S204 PolarHBondContact O-N 3.32Å; S204-S208 WeakPolarHBondContact O-CB 3.47Å; S204-S208 PolarHBondContact O-N 3.05Å |
| 205 | L | 73.6 | Confident | 72.1 | Confident | 113 Ų | 113 | 83 Ų | 83 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.1 | -47.5 | 176.8 | -176.1 | 63.4 | 0 | 0 | 0 | 112.1 | N202 W203 G207 S208 V209 | N202-L205 PolarHBondContact O-N 3.41Å; W203-L205 VanDerWaalsContact C-N 3.26Å; W203-L205 PolarHBondContact O-N 2.97Å; L205-G207 PolarHBondContact O-N 2.97Å; L205-S208 WeakPolarHBondContact O-CB 3.37Å; L205-S208 PolarHBondContact O-N 2.84Å; L205-V209 WeakPolarHBondContact O-CG2 3.31Å; L205-V209 PolarHBondContact O-N 2.81Å |
| 206 | I | 75.5 | Confident | 73.5 | Confident | 75 Ų | 75 | 85.3 Ų | 85.3 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 178.1 | -64.4 | 159.6 | 0 | 0 | 0 | 110.5 | F89 N202 W203 S208 V209 L210 | F89-I206 HydrophobicContact CE1-CD1 4.07Å; F89-I206 HydrophobicContact CZ-CD1 4.39Å; N202-I206 WeakPolarHBondContact O-CD1 3.26Å; N202-I206 VanDerWaalsContact O-CG1 3.29Å; N202-I206 WeakPolarHBondContact O-CG1 3.32Å; N202-I206 PolarHBondContact O-N 3.4Å; W203-I206 PolarHBondContact O-N 3.49Å; I206-S208 VanDerWaalsContact C-N 3.31Å; I206-S208 PolarHBondContact O-N 2.86Å; I206-V209 PolarHBondContact O-N 3.42Å; I206-L210 WeakPolarHBondContact O-CB 3.39Å; I206-L210 PolarHBondContact O-N 2.84Å |
| 207 | G | 80.9 | Confident | 74.7 | Confident | 41 Ų | 41 | 84.2 Ų | 84.2 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W203 L205 G211 | W203-G207 PolarHBondContact O-N 3.39Å; L205-G207 PolarHBondContact O-N 2.97Å; G207-G211 PolarHBondContact O-N 3.45Å |
| 208 | S | 79.6 | Confident | 76.3 | Confident | 80 Ų | 80 | 83.1 Ų | 83.1 | 56% | 0.559 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65 | -48.3 | 175.1 | -179 | 0 | 0 | 0 | 0 | 112 | S204 L205 I206 G211 A212 | S204-S208 WeakPolarHBondContact O-CB 3.47Å; S204-S208 PolarHBondContact O-N 3.05Å; L205-S208 WeakPolarHBondContact O-CB 3.37Å; L205-S208 PolarHBondContact O-N 2.84Å; I206-S208 VanDerWaalsContact C-N 3.31Å; I206-S208 PolarHBondContact O-N 2.86Å; S208-G211 PolarHBondContact O-N 3.41Å; S208-A212 WeakPolarHBondContact O-CB 3.2Å; S208-A212 PolarHBondContact O-N 3.39Å |
| 209 | V | 84.4 | Confident | 77.4 | Confident | 78 Ų | 78 | 80.6 Ų | 80.6 | 47% | 0.473 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 179.7 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | L205 I206 A212 L213 | L205-V209 WeakPolarHBondContact O-CG2 3.31Å; L205-V209 PolarHBondContact O-N 2.81Å; I206-V209 PolarHBondContact O-N 3.42Å; V209-A212 PolarHBondContact O-N 3.25Å; V209-L213 HydrophobicContact CG1-CD1 4.45Å; V209-L213 WeakPolarHBondContact O-CG 3.13Å; V209-L213 PolarHBondContact O-N 3.35Å |
| 210 | L | 83.9 | Confident | 78.7 | Confident | 99 Ų | 99 | 79.3 Ų | 79.3 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -42.3 | 178.9 | -165.8 | 73.3 | 0 | 0 | 0 | 111.6 | I206 A212 L213 I214 | I206-L210 WeakPolarHBondContact O-CB 3.39Å; I206-L210 PolarHBondContact O-N 2.84Å; L210-A212 VanDerWaalsContact C-N 3.31Å; L210-A212 PolarHBondContact O-N 2.91Å; L210-L213 PolarHBondContact O-N 2.79Å; L210-I214 HydrophobicContact CD2-CD1 4.44Å; L210-I214 HydrophobicContact CG-CD1 4.03Å; L210-I214 WeakPolarHBondContact O-CG1 3.36Å; L210-I214 PolarHBondContact O-N 3.41Å |
| 211 | G | 88.6 | Confident | 79.8 | Confident | 44 Ų | 44 | 82.8 Ų | 82.8 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -39.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G207 S208 G215 | G207-G211 PolarHBondContact O-N 3.45Å; S208-G211 PolarHBondContact O-N 3.41Å; G211-G215 PolarHBondContact O-N 2.78Å |
| 212 | A | 89.8 | Confident | 80.8 | Confident | 57 Ų | 57 | 79.1 Ų | 79.1 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | S208 V209 L210 G215 V216 | S208-A212 WeakPolarHBondContact O-CB 3.2Å; S208-A212 PolarHBondContact O-N 3.39Å; V209-A212 PolarHBondContact O-N 3.25Å; L210-A212 VanDerWaalsContact C-N 3.31Å; L210-A212 PolarHBondContact O-N 2.91Å; A212-G215 PolarHBondContact O-N 3.44Å; A212-V216 VanDerWaalsContact O-CG2 3.31Å; A212-V216 WeakPolarHBondContact O-CG2 3.12Å; A212-V216 PolarHBondContact O-N 2.84Å |
| 213 | L | 84.1 | Confident | 81.4 | Confident | 104 Ų | 104 | 80.4 Ų | 80.4 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 177.4 | -72.2 | 174.5 | 0 | 0 | 0 | 112.1 | V209 L210 G215 V216 A217 | V209-L213 HydrophobicContact CG1-CD1 4.45Å; V209-L213 WeakPolarHBondContact O-CG 3.13Å; V209-L213 PolarHBondContact O-N 3.35Å; L210-L213 PolarHBondContact O-N 2.79Å; L213-G215 VanDerWaalsContact C-N 3.32Å; L213-V216 PolarHBondContact O-N 2.9Å; L213-A217 WeakPolarHBondContact O-CB 3.38Å; L213-A217 PolarHBondContact O-N 3.22Å |
| 214 | I | 86.6 | Confident | 81.5 | Confident | 110 Ų | 110 | 83.2 Ų | 83.2 | 56% | 0.564 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -40.4 | 175.8 | -66.4 | 169.7 | 0 | 0 | 0 | 110.3 | L210 A217 G218 | L210-I214 HydrophobicContact CD2-CD1 4.44Å; L210-I214 HydrophobicContact CG-CD1 4.03Å; L210-I214 WeakPolarHBondContact O-CG1 3.36Å; L210-I214 PolarHBondContact O-N 3.41Å; I214-A217 PolarHBondContact O-N 2.81Å; I214-G218 PolarHBondContact O-N 3.31Å |
| 215 | G | 87.8 | Confident | 82 | Confident | 41 Ų | 41 | 80.9 Ų | 80.9 | 42% | 0.423 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G211 A212 L213 S219 | G211-G215 PolarHBondContact O-N 2.78Å; A212-G215 PolarHBondContact O-N 3.44Å; L213-G215 VanDerWaalsContact C-N 3.32Å; G215-S219 WeakPolarHBondContact O-CB 3.22Å; G215-S219 PolarHBondContact O-N 2.93Å |
| 216 | V | 86.4 | Confident | 81.9 | Confident | 96 Ų | 96 | 83 Ų | 83 | 58% | 0.582 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 176.2 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | A212 L213 T220 | A212-V216 VanDerWaalsContact O-CG2 3.31Å; A212-V216 WeakPolarHBondContact O-CG2 3.12Å; A212-V216 PolarHBondContact O-N 2.84Å; L213-V216 PolarHBondContact O-N 2.9Å; V216-T220 WeakPolarHBondContact O-CB 3.28Å; V216-T220 PolarHBondContact O-N 3.27Å; V216-T220 PolarHBondContact O-OG1 3.49Å |
| 217 | A | 78.9 | Confident | 81.3 | Confident | 61 Ų | 61 | 82.8 Ų | 82.8 | 50% | 0.504 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L213 I214 T220 Y221 | L213-A217 WeakPolarHBondContact O-CB 3.38Å; L213-A217 PolarHBondContact O-N 3.22Å; I214-A217 PolarHBondContact O-N 2.81Å; A217-T220 PolarHBondContact O-N 2.85Å; A217-Y221 PolarHBondContact O-N 2.95Å |
| 218 | G | 86.8 | Confident | 80.7 | Confident | 36 Ų | 36 | 86.8 Ų | 86.8 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I214 T220 Y221 V222 | I214-G218 PolarHBondContact O-N 3.31Å; G218-T220 VanDerWaalsContact C-N 3.33Å; G218-T220 PolarHBondContact O-N 3.33Å; G218-Y221 PolarHBondContact O-N 3.39Å; G218-V222 WeakPolarHBondContact O-CG2 3.22Å; G218-V222 PolarHBondContact O-N 3.4Å |
| 219 | S | 77.6 | Confident | 80.1 | Confident | 82 Ų | 82 | 88.3 Ų | 88.3 | 57% | 0.573 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 174.1 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | G215 Y221 V222 N223 | G215-S219 WeakPolarHBondContact O-CB 3.22Å; G215-S219 PolarHBondContact O-N 2.93Å; S219-Y221 PolarHBondContact O-N 2.89Å; S219-V222 PolarHBondContact O-N 3.35Å; S219-N223 WeakPolarHBondContact O-CB 3.32Å; S219-N223 PolarHBondContact O-N 2.8Å |
| 220 | T | 85.5 | Confident | 79 | Confident | 58 Ų | 58 | 89.6 Ų | 89.6 | 36% | 0.356 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 177.1 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | V216 A217 G218 R224 | V216-T220 WeakPolarHBondContact O-CB 3.28Å; V216-T220 PolarHBondContact O-N 3.27Å; V216-T220 PolarHBondContact O-OG1 3.49Å; A217-T220 PolarHBondContact O-N 2.85Å; G218-T220 VanDerWaalsContact C-N 3.33Å; G218-T220 PolarHBondContact O-N 3.33Å; T220-R224 HydrophobicContact CG2-CG 4.48Å; T220-R224 WeakPolarHBondContact O-CB 3.3Å; T220-R224 WeakPolarHBondContact O-CG 3.23Å; T220-R224 PolarHBondContact O-N 2.99Å |
| 221 | Y | 83.1 | Confident | 77.8 | Confident | 171 Ų | 171 | 90.7 Ų | 90.7 | 67% | 0.671 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.2 | -51 | 177.1 | -179.1 | -97.1 | 0 | 0 | 0 | 111.8 | A217 G218 S219 N223 R224 V225 | A217-Y221 PolarHBondContact O-N 2.95Å; G218-Y221 PolarHBondContact O-N 3.39Å; S219-Y221 PolarHBondContact O-N 2.89Å; Y221-N223 VanDerWaalsContact C-N 3.29Å; Y221-N223 PolarHBondContact O-N 2.85Å; Y221-R224 PolarHBondContact O-N 3.41Å; Y221-R224 VanDerWaalsContact O-N 3.12Å; Y221-V225 HydrophobicContact CD1-CG2 4.32Å; Y221-V225 HydrophobicContact CE1-CG2 3.91Å; Y221-V225 HydrophobicContact CE2-CG2 4.47Å; Y221-V225 WeakPolarHBondContact O-CG2 3.31Å; Y221-V225 PolarHBondContact O-N 2.66Å |
| 222 | V | 79.2 | Confident | 76.7 | Confident | 71 Ų | 71 | 91.1 Ų | 91.1 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 178.3 | 172.1 | 0 | 0 | 0 | 0 | 111 | G218 S219 R224 V225 R226 | G218-V222 WeakPolarHBondContact O-CG2 3.22Å; G218-V222 PolarHBondContact O-N 3.4Å; S219-V222 PolarHBondContact O-N 3.35Å; V222-R224 VanDerWaalsContact C-N 3.34Å; V222-R224 PolarHBondContact O-N 3.42Å; V222-V225 PolarHBondContact O-N 2.91Å; V222-R226 WeakPolarHBondContact O-CB 3.17Å; V222-R226 WeakPolarHBondContact O-CG 3.37Å; V222-R226 PolarHBondContact O-N 3.4Å |
| 223 | N | 77.6 | Confident | 75.5 | Confident | 89 Ų | 89 | 93.6 Ų | 93.6 | 48% | 0.476 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 176.3 | -169.2 | 39.5 | 0 | 0 | 0 | 111.5 | S219 Y221 R226 L227 | S219-N223 WeakPolarHBondContact O-CB 3.32Å; S219-N223 PolarHBondContact O-N 2.8Å; Y221-N223 VanDerWaalsContact C-N 3.29Å; Y221-N223 PolarHBondContact O-N 2.85Å; N223-R226 PolarHBondContact O-N 3.5Å; N223-L227 WeakPolarHBondContact O-CB 2.93Å; N223-L227 WeakPolarHBondContact O-CD1 3.21Å; N223-L227 PolarHBondContact O-N 3.32Å; N223-L227 VanDerWaalsContact OD1-CD1 3.28Å; N223-L227 WeakPolarHBondContact OD1-CD1 3.34Å |
| 224 | R | 75.3 | Confident | 74.1 | Confident | 148 Ų | 148 | 94 Ų | 94 | 56% | 0.558 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.1 | -40.4 | 177 | -72 | -77.4 | -179.8 | 156.1 | 0.2 | 112.7 | T220 Y221 V222 L227 Q228 | T220-R224 HydrophobicContact CG2-CG 4.48Å; T220-R224 WeakPolarHBondContact O-CB 3.3Å; T220-R224 WeakPolarHBondContact O-CG 3.23Å; T220-R224 PolarHBondContact O-N 2.99Å; Y221-R224 PolarHBondContact O-N 3.41Å; Y221-R224 VanDerWaalsContact O-N 3.12Å; V222-R224 VanDerWaalsContact C-N 3.34Å; V222-R224 PolarHBondContact O-N 3.42Å; R224-L227 PolarHBondContact O-N 2.94Å; R224-Q228 WeakPolarHBondContact O-CG 3.39Å; R224-Q228 PolarHBondContact O-N 3.41Å |
| 225 | V | 75.8 | Confident | 72.7 | Confident | 44 Ų | 44 | 93.9 Ų | 93.9 | 27% | 0.267 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 174.2 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | Y221 V222 L227 Q228 E229 | Y221-V225 HydrophobicContact CD1-CG2 4.32Å; Y221-V225 HydrophobicContact CE1-CG2 3.91Å; Y221-V225 HydrophobicContact CE2-CG2 4.47Å; Y221-V225 WeakPolarHBondContact O-CG2 3.31Å; Y221-V225 PolarHBondContact O-N 2.66Å; V222-V225 PolarHBondContact O-N 2.91Å; V225-L227 VanDerWaalsContact C-N 3.34Å; V225-L227 PolarHBondContact O-N 3.44Å; V225-Q228 WeakPolarHBondContact O-CB 3.27Å; V225-Q228 PolarHBondContact O-N 3.26Å; V225-E229 WeakPolarHBondContact O-CG 3.38Å; V225-E229 PolarHBondContact O-N 3.18Å |
| 226 | R | 71.9 | Confident | 71.3 | Confident | 157 Ų | 157 | 98.8 Ų | 98.8 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | 174.2 | -72.7 | -178.1 | -179.8 | -174.3 | 0.6 | 112.7 | V222 N223 Q228 E229 L230 | V222-R226 WeakPolarHBondContact O-CB 3.17Å; V222-R226 WeakPolarHBondContact O-CG 3.37Å; V222-R226 PolarHBondContact O-N 3.4Å; N223-R226 PolarHBondContact O-N 3.5Å; R226-Q228 VanDerWaalsContact C-N 3.3Å; R226-Q228 PolarHBondContact O-N 3.2Å; R226-E229 PolarHBondContact O-N 3.16Å; R226-L230 WeakPolarHBondContact O-CB 3.3Å; R226-L230 VanDerWaalsContact O-CG 3.28Å; R226-L230 WeakPolarHBondContact O-CG 3.21Å; R226-L230 PolarHBondContact O-N 3.31Å |
| 227 | L | 63.3 | Low | 69.7 | Low | 71 Ų | 71 | 97.2 Ų | 97.2 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.6 | -29.7 | 173.5 | -96.3 | 102.1 | 0 | 0 | 0 | 112.5 | N223 R224 V225 K231 | N223-L227 WeakPolarHBondContact O-CB 2.93Å; N223-L227 WeakPolarHBondContact O-CD1 3.21Å; N223-L227 PolarHBondContact O-N 3.32Å; N223-L227 VanDerWaalsContact OD1-CD1 3.28Å; N223-L227 WeakPolarHBondContact OD1-CD1 3.34Å; R224-L227 PolarHBondContact O-N 2.94Å; V225-L227 VanDerWaalsContact C-N 3.34Å; V225-L227 PolarHBondContact O-N 3.44Å; L227-K231 WeakPolarHBondContact O-CB 3.4Å; L227-K231 WeakPolarHBondContact O-CD 3.42Å; L227-K231 WeakPolarHBondContact O-CG 3.44Å; L227-K231 PolarHBondContact O-N 3.27Å |
| 228 | Q | 68.4 | Low | 68.2 | Low | 125 Ų | 125 | 100.3 Ų | 100.3 | 58% | 0.584 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.4 | -40.5 | 174 | -77.6 | 176.1 | -33.9 | 0 | 0 | 111.4 | R224 V225 R226 K231 A232 | R224-Q228 WeakPolarHBondContact O-CG 3.39Å; R224-Q228 PolarHBondContact O-N 3.41Å; V225-Q228 WeakPolarHBondContact O-CB 3.27Å; V225-Q228 PolarHBondContact O-N 3.26Å; R226-Q228 VanDerWaalsContact C-N 3.3Å; R226-Q228 PolarHBondContact O-N 3.2Å; Q228-K231 CarbonylContact O-C 3.52Å; Q228-K231 PolarHBondContact O-N 2.91Å; Q228-A232 WeakPolarHBondContact O-CB 3.31Å; Q228-A232 PolarHBondContact O-N 3.5Å |
| 229 | E | 67.6 | Low | 66.4 | Low | 113 Ų | 113 | 107.2 Ų | 107.2 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 172.6 | -70.7 | 169.8 | -179.9 | 0 | 0 | 111 | V225 R226 K231 A232 L233 | V225-E229 WeakPolarHBondContact O-CG 3.38Å; V225-E229 PolarHBondContact O-N 3.18Å; R226-E229 PolarHBondContact O-N 3.16Å; E229-K231 VanDerWaalsContact C-N 3.32Å; E229-K231 PolarHBondContact O-N 3.44Å; E229-A232 PolarHBondContact O-N 2.84Å; E229-L233 WeakPolarHBondContact O-CB 3.29Å; E229-L233 VanDerWaalsContact O-CG 3.29Å; E229-L233 WeakPolarHBondContact O-CG 3.38Å; E229-L233 PolarHBondContact O-N 3.45Å |
| 230 | L | 60.5 | Low | 65.2 | Low | 105 Ų | 105 | 105 Ų | 105 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -33.9 | 174.6 | -73 | 172 | 0 | 0 | 0 | 112.4 | R226 L234 | R226-L230 WeakPolarHBondContact O-CB 3.3Å; R226-L230 VanDerWaalsContact O-CG 3.28Å; R226-L230 WeakPolarHBondContact O-CG 3.21Å; R226-L230 PolarHBondContact O-N 3.31Å; L230-L234 WeakPolarHBondContact O-CA 3.16Å; L230-L234 WeakPolarHBondContact O-CB 3.39Å; L230-L234 VanDerWaalsContact O-CG 3.22Å; L230-L234 WeakPolarHBondContact O-CG 3.32Å; L230-L234 PolarHBondContact O-N 2.89Å |
| 231 | K | 59.6 | Low | 63.5 | Low | 122 Ų | 122 | 105.1 Ų | 105.1 | 53% | 0.53 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.8 | -33 | 173 | -79.4 | 174.6 | -179 | -174.4 | 0 | 112.4 | L227 Q228 E229 L234 L235 | L227-K231 WeakPolarHBondContact O-CB 3.4Å; L227-K231 WeakPolarHBondContact O-CD 3.42Å; L227-K231 WeakPolarHBondContact O-CG 3.44Å; L227-K231 PolarHBondContact O-N 3.27Å; Q228-K231 CarbonylContact O-C 3.52Å; Q228-K231 PolarHBondContact O-N 2.91Å; E229-K231 VanDerWaalsContact C-N 3.32Å; E229-K231 PolarHBondContact O-N 3.44Å; K231-L234 CarbonylContact O-C 3.6Å; K231-L235 WeakPolarHBondContact O-CB 3.46Å; K231-L235 WeakPolarHBondContact O-CD1 3.3Å; K231-L235 WeakPolarHBondContact O-CG 3.48Å; K231-L235 PolarHBondContact O-N 2.86Å |
| 232 | A | 64.7 | Low | 61.9 | Low | 53 Ų | 53 | 101.4 Ų | 101.4 | 44% | 0.438 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.7 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q228 E229 L235 E236 | Q228-A232 WeakPolarHBondContact O-CB 3.31Å; Q228-A232 PolarHBondContact O-N 3.5Å; E229-A232 PolarHBondContact O-N 2.84Å; A232-L235 CarbonylContact O-C 3.52Å; A232-L235 PolarHBondContact O-N 3.01Å; A232-E236 VanDerWaalsContact O-CB 3.29Å; A232-E236 WeakPolarHBondContact O-CB 3.31Å; A232-E236 PolarHBondContact O-N 2.9Å |
| 233 | L | 64.1 | Low | 60.7 | Low | 108 Ų | 108 | 101.9 Ų | 101.9 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.4 | -35.3 | 173.4 | -67.2 | 174.6 | 0 | 0 | 0 | 112.2 | E229 E236 A237 | E229-L233 WeakPolarHBondContact O-CB 3.29Å; E229-L233 VanDerWaalsContact O-CG 3.29Å; E229-L233 WeakPolarHBondContact O-CG 3.38Å; E229-L233 PolarHBondContact O-N 3.45Å; L233-E236 PolarHBondContact O-N 3.37Å; L233-A237 WeakPolarHBondContact O-CB 3.35Å; L233-A237 PolarHBondContact O-N 2.85Å |
| 234 | L | 56.4 | Low | 59.4 | Low | 114 Ų | 114 | 102.8 Ų | 102.8 | 60% | 0.597 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.1 | -32.4 | 171.1 | -82.6 | 172.9 | 0 | 0 | 0 | 112 | L230 K231 E236 A237 Q238 | L230-L234 WeakPolarHBondContact O-CA 3.16Å; L230-L234 WeakPolarHBondContact O-CB 3.39Å; L230-L234 VanDerWaalsContact O-CG 3.22Å; L230-L234 WeakPolarHBondContact O-CG 3.32Å; L230-L234 PolarHBondContact O-N 2.89Å; K231-L234 CarbonylContact O-C 3.6Å; L234-E236 VanDerWaalsContact C-N 3.33Å; L234-A237 CarbonylContact O-C 3.56Å; L234-Q238 VanDerWaalsContact O-CA 3.31Å; L234-Q238 WeakPolarHBondContact O-CA 3.48Å; L234-Q238 WeakPolarHBondContact O-CB 3.2Å; L234-Q238 PolarHBondContact O-N 3.48Å |
| 235 | L | 56.2 | Low | 58.3 | Low | 107 Ų | 107 | 102.9 Ų | 102.9 | 56% | 0.56 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.4 | -29.5 | 173.9 | -80.9 | 165.7 | 0 | 0 | 0 | 111.5 | K231 A232 Q238 K239 | K231-L235 WeakPolarHBondContact O-CB 3.46Å; K231-L235 WeakPolarHBondContact O-CD1 3.3Å; K231-L235 WeakPolarHBondContact O-CG 3.48Å; K231-L235 PolarHBondContact O-N 2.86Å; A232-L235 CarbonylContact O-C 3.52Å; A232-L235 PolarHBondContact O-N 3.01Å; L235-Q238 CarbonylContact O-C 3.59Å; L235-Q238 PolarHBondContact O-N 3.41Å; L235-K239 PolarHBondContact O-N 2.81Å |
| 236 | E | 58.4 | Low | 57.4 | Low | 143 Ų | 143 | 106.4 Ų | 106.4 | 67% | 0.668 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76.6 | -38.7 | 172.5 | -166.2 | 150.2 | -158.6 | 0 | 0 | 111.3 | A232 L233 L234 Q238 K239 | A232-E236 VanDerWaalsContact O-CB 3.29Å; A232-E236 WeakPolarHBondContact O-CB 3.31Å; A232-E236 PolarHBondContact O-N 2.9Å; L233-E236 PolarHBondContact O-N 3.37Å; L234-E236 VanDerWaalsContact C-N 3.33Å; E236-Q238 VanDerWaalsContact C-N 3.32Å; E236-K239 WeakPolarHBondContact O-CB 3.4Å; E236-K239 PolarHBondContact O-N 2.79Å |
| 237 | A | 53.7 | Low | 56.6 | Low | 63 Ų | 63 | 101 Ų | 101 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.7 | -24.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L233 L234 K239 G240 P241 | L233-A237 WeakPolarHBondContact O-CB 3.35Å; L233-A237 PolarHBondContact O-N 2.85Å; L234-A237 CarbonylContact O-C 3.56Å; A237-K239 VanDerWaalsContact C-N 3.33Å; A237-G240 VanDerWaalsContact O-CA 3.27Å; A237-G240 WeakPolarHBondContact O-CA 3.42Å; A237-G240 PolarHBondContact O-N 3.13Å; A237-P241 VanDerWaalsContact O-CD 3.32Å; A237-P241 WeakPolarHBondContact O-CD 3.23Å |
| 238 | Q | 46.2 | Very low | 56.4 | Low | 126 Ų | 126 | 102.6 Ų | 102.6 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -4.4 | 173.3 | -166.2 | 179.4 | 55.1 | 0 | 0 | 112.2 | L234 L235 E236 G240 P241 | L234-Q238 VanDerWaalsContact O-CA 3.31Å; L234-Q238 WeakPolarHBondContact O-CA 3.48Å; L234-Q238 WeakPolarHBondContact O-CB 3.2Å; L234-Q238 PolarHBondContact O-N 3.48Å; L235-Q238 CarbonylContact O-C 3.59Å; L235-Q238 PolarHBondContact O-N 3.41Å; E236-Q238 VanDerWaalsContact C-N 3.32Å; Q238-G240 VanDerWaalsContact C-N 3.27Å; Q238-P241 HydrophobicContact CB-CG 4.4Å; Q238-P241 HydrophobicContact CG-CG 4.15Å; Q238-P241 WeakPolarHBondContact O-CD 3.17Å |
| 239 | K | 49 | Very low | 56 | Low | 181 Ų | 181 | 106 Ų | 106 | 79% | 0.787 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -13 | 152.6 | -91.6 | 177.5 | 175.7 | 173.6 | 0 | 112.6 | L235 E236 A237 | L235-K239 PolarHBondContact O-N 2.81Å; E236-K239 WeakPolarHBondContact O-CB 3.4Å; E236-K239 PolarHBondContact O-N 2.79Å; A237-K239 VanDerWaalsContact C-N 3.33Å |
| 240 | G | 51.9 | Low | 55.5 | Low | 37 Ų | 37 | 107.5 Ų | 107.5 | 38% | 0.381 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -88.5 | -10.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | A237 Q238 S243 | A237-G240 VanDerWaalsContact O-CA 3.27Å; A237-G240 WeakPolarHBondContact O-CA 3.42Å; A237-G240 PolarHBondContact O-N 3.13Å; Q238-G240 VanDerWaalsContact C-N 3.27Å; G240-S243 PolarHBondContact O-OG 2.81Å |
| 241 | P | 50.1 | Low | 55.1 | Low | 60 Ų | 60 | 108 Ų | 108 | 39% | 0.39 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -105.7 | 2.6 | -177.7 | 29.4 | -11.9 | 0 | 0 | 0 | 113.8 | A237 Q238 Q245 | A237-P241 VanDerWaalsContact O-CD 3.32Å; A237-P241 WeakPolarHBondContact O-CD 3.23Å; Q238-P241 HydrophobicContact CB-CG 4.4Å; Q238-P241 HydrophobicContact CG-CG 4.15Å; Q238-P241 WeakPolarHBondContact O-CD 3.17Å; P241-Q245 PolarHBondContact O-N 2.7Å |
| 242 | V | 50.4 | Low | 54.7 | Low | 93 Ų | 93 | 105.1 Ų | 105.1 | 56% | 0.564 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -80.2 | -36 | 167.2 | -172 | 0 | 0 | 0 | 0 | 110 | L244 Q245 E246 | V242-L244 PolarHBondContact O-N 3.38Å; V242-Q245 PolarHBondContact O-N 2.64Å; V242-E246 PolarHBondContact O-N 3.48Å |
| 243 | S | 53.8 | Low | 54.1 | Low | 81 Ų | 81 | 105.8 Ų | 105.8 | 57% | 0.566 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.4 | -29.2 | 175.8 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | G240 A247 | G240-S243 PolarHBondContact O-OG 2.81Å; S243-A247 VanDerWaalsContact O-CB 3.22Å; S243-A247 WeakPolarHBondContact O-CB 3.36Å; S243-A247 PolarHBondContact O-N 2.82Å |
| 244 | L | 50 | Low | 53.8 | Low | 108 Ų | 108 | 103.3 Ų | 103.3 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -79.3 | -30.7 | 178.7 | -136.8 | 151.3 | 0 | 0 | 0 | 111.7 | V242 I248 | V242-L244 PolarHBondContact O-N 3.38Å; L244-I248 HydrophobicContact CD2-CD1 3.58Å; L244-I248 HydrophobicContact CD2-CG1 4.07Å; L244-I248 WeakPolarHBondContact O-CB 3.21Å; L244-I248 WeakPolarHBondContact O-CD1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.44Å; L244-I248 PolarHBondContact O-N 2.75Å |
| 245 | Q | 52.8 | Low | 53.6 | Low | 150 Ų | 150 | 104.4 Ų | 104.4 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.7 | -35.3 | 172.5 | -167.3 | 173.3 | -24.6 | 0 | 0 | 112.1 | P241 V242 R249 | P241-Q245 PolarHBondContact O-N 2.7Å; V242-Q245 PolarHBondContact O-N 2.64Å; Q245-R249 WeakPolarHBondContact O-CB 3.37Å; Q245-R249 PolarHBondContact O-N 2.83Å |
| 246 | E | 56.7 | Low | 53.8 | Low | 118 Ų | 118 | 102.3 Ų | 102.3 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 168.7 | -126.7 | 80.7 | -135 | 0 | 0 | 110.9 | V242 I248 R249 E250 | V242-E246 PolarHBondContact O-N 3.48Å; E246-I248 PolarHBondContact O-N 2.96Å; E246-R249 PolarHBondContact O-N 3.35Å; E246-E250 WeakPolarHBondContact O-CB 3.49Å; E246-E250 PolarHBondContact O-N 3.26Å |
| 247 | A | 56 | Low | 53.9 | Low | 42 Ų | 42 | 101 Ų | 101 | 35% | 0.347 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.2 | -35.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S243 Q251 | S243-A247 VanDerWaalsContact O-CB 3.22Å; S243-A247 WeakPolarHBondContact O-CB 3.36Å; S243-A247 PolarHBondContact O-N 2.82Å; A247-Q251 WeakPolarHBondContact O-CB 3.39Å; A247-Q251 PolarHBondContact O-N 3.11Å |
| 248 | I | 57.7 | Low | 54.3 | Low | 105 Ų | 105 | 103.5 Ų | 103.5 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.1 | -35.2 | 173.3 | -71.1 | 164.6 | 0 | 0 | 0 | 110.9 | L244 E246 A252 | L244-I248 HydrophobicContact CD2-CD1 3.58Å; L244-I248 HydrophobicContact CD2-CG1 4.07Å; L244-I248 WeakPolarHBondContact O-CB 3.21Å; L244-I248 WeakPolarHBondContact O-CD1 3.29Å; L244-I248 WeakPolarHBondContact O-CG1 3.44Å; L244-I248 PolarHBondContact O-N 2.75Å; E246-I248 PolarHBondContact O-N 2.96Å; I248-A252 WeakPolarHBondContact O-CB 3.38Å; I248-A252 PolarHBondContact O-N 2.89Å |
| 249 | R | 59.4 | Low | 54.9 | Low | 198 Ų | 198 | 104.3 Ų | 104.3 | 75% | 0.747 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.4 | -39.9 | 175.7 | -170.2 | 177.7 | -177 | 136.2 | 1.6 | 111.8 | Q245 E246 S253 | Q245-R249 WeakPolarHBondContact O-CB 3.37Å; Q245-R249 PolarHBondContact O-N 2.83Å; E246-R249 PolarHBondContact O-N 3.35Å; R249-S253 PolarHBondContact O-N 3.02Å; R249-S253 VanDerWaalsContact O-N 3.12Å |
| 250 | E | 58.5 | Low | 55.8 | Low | 143 Ų | 143 | 104.5 Ų | 104.5 | 67% | 0.668 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.7 | -39.2 | 176.2 | -154.3 | 167.6 | -155.4 | 0 | 0 | 110.7 | E246 S253 S254 | E246-E250 WeakPolarHBondContact O-CB 3.49Å; E246-E250 PolarHBondContact O-N 3.26Å; E250-S253 PolarHBondContact O-N 3.48Å; E250-S253 PolarHBondContact O-OG 3.45Å; E250-S254 PolarHBondContact O-N 3.45Å; E250-S254 VanDerWaalsContact O-N 3.11Å; E250-S254 PolarHBondContact O-OG 2.88Å |
| 251 | Q | 51.2 | Low | 56.8 | Low | 115 Ų | 115 | 107.4 Ų | 107.4 | 54% | 0.537 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74.2 | -30.7 | 176.1 | -163.8 | 164.2 | -24.7 | 0 | 0 | 113.4 | A247 S254 Y255 | A247-Q251 WeakPolarHBondContact O-CB 3.39Å; A247-Q251 PolarHBondContact O-N 3.11Å; Q251-S254 WeakPolarHBondContact CA-OG 3.18Å; Q251-S254 PolarHBondContact O-OG 3.24Å; Q251-S254 VanDerWaalsContact O-OG 3.06Å; Q251-Y255 HydrophobicContact CG-CD2 4.13Å; Q251-Y255 HydrophobicContact CG-CE2 4.23Å; Q251-Y255 WeakPolarHBondContact O-CB 3.34Å; Q251-Y255 WeakPolarHBondContact O-CD2 3.47Å; Q251-Y255 PolarHBondContact O-N 3.38Å |
| 252 | A | 51.1 | Low | 57.8 | Low | 62 Ų | 62 | 109.7 Ų | 109.7 | 51% | 0.512 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.9 | -32.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | I248 S256 | I248-A252 WeakPolarHBondContact O-CB 3.38Å; I248-A252 PolarHBondContact O-N 2.89Å; A252-S256 PolarHBondContact O-N 3.35Å |
| 253 | S | 53.5 | Low | 58.8 | Low | 68 Ų | 68 | 112.1 Ų | 112.1 | 48% | 0.476 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.7 | -40.3 | 174.7 | 77 | 0 | 0 | 0 | 0 | 112 | R249 E250 S256 L257 | R249-S253 PolarHBondContact O-N 3.02Å; R249-S253 VanDerWaalsContact O-N 3.12Å; E250-S253 PolarHBondContact O-N 3.48Å; E250-S253 PolarHBondContact O-OG 3.45Å; S253-S256 PolarHBondContact O-N 2.95Å; S253-S256 PolarHBondContact O-OG 2.87Å; S253-L257 PolarHBondContact O-N 3.17Å |
| 254 | S | 58 | Low | 59.7 | Low | 56 Ų | 56 | 113.3 Ų | 113.3 | 39% | 0.392 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.4 | -31.1 | 177.2 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | E250 Q251 S256 L257 Q258 | E250-S254 PolarHBondContact O-N 3.45Å; E250-S254 VanDerWaalsContact O-N 3.11Å; E250-S254 PolarHBondContact O-OG 2.88Å; Q251-S254 WeakPolarHBondContact CA-OG 3.18Å; Q251-S254 PolarHBondContact O-OG 3.24Å; Q251-S254 VanDerWaalsContact O-OG 3.06Å; S254-S256 PolarHBondContact O-N 3Å; S254-L257 PolarHBondContact O-N 3.34Å; S254-Q258 WeakPolarHBondContact O-CB 3.41Å; S254-Q258 PolarHBondContact O-N 2.91Å |
| 255 | Y | 52.1 | Low | 61 | Low | 137 Ų | 137 | 113.2 Ų | 113.2 | 54% | 0.537 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.3 | -35.2 | 171.4 | -101.9 | -89.6 | 0 | 0 | 0 | 112.8 | Q251 Q259 | Q251-Y255 HydrophobicContact CG-CD2 4.13Å; Q251-Y255 HydrophobicContact CG-CE2 4.23Å; Q251-Y255 WeakPolarHBondContact O-CB 3.34Å; Q251-Y255 WeakPolarHBondContact O-CD2 3.47Å; Q251-Y255 PolarHBondContact O-N 3.38Å; Y255-Q259 WeakPolarHBondContact O-CB 3.49Å; Y255-Q259 PolarHBondContact O-N 2.89Å |
| 256 | S | 59.8 | Low | 61.9 | Low | 63 Ų | 63 | 111.4 Ų | 111.4 | 44% | 0.441 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -71.8 | -31.9 | 177.6 | 76.6 | 0 | 0 | 0 | 0 | 113 | A252 S253 S254 R260 | A252-S256 PolarHBondContact O-N 3.35Å; S253-S256 PolarHBondContact O-N 2.95Å; S253-S256 PolarHBondContact O-OG 2.87Å; S254-S256 PolarHBondContact O-N 3Å; S256-R260 PolarHBondContact O-N 3.49Å; S256-R260 VanDerWaalsContact O-N 3.13Å |
| 257 | L | 61 | Low | 62.7 | Low | 116 Ų | 116 | 110 Ų | 110 | 61% | 0.607 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73.7 | -45.6 | 174 | -133.3 | 104.8 | 0 | 0 | 0 | 110.4 | S253 S254 Q259 R260 D261 | S253-L257 PolarHBondContact O-N 3.17Å; S254-L257 PolarHBondContact O-N 3.34Å; L257-Q259 VanDerWaalsContact C-N 3.29Å; L257-Q259 PolarHBondContact O-N 3.43Å; L257-R260 CarbonylContact O-C 3.47Å; L257-R260 WeakPolarHBondContact O-CA 3.46Å; L257-R260 WeakPolarHBondContact O-CB 3.25Å; L257-R260 PolarHBondContact O-N 3.31Å; L257-R260 VanDerWaalsContact O-N 3.08Å; L257-D261 PolarHBondContact O-N 3.42Å |
| 258 | Q | 60.8 | Low | 63.4 | Low | 115 Ų | 115 | 113.7 Ų | 113.7 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -32.4 | 175.7 | -169.6 | 176.6 | -25.1 | 0 | 0 | 111.9 | S254 L262 | S254-Q258 WeakPolarHBondContact O-CB 3.41Å; S254-Q258 PolarHBondContact O-N 2.91Å; Q258-L262 WeakPolarHBondContact O-CB 3.19Å; Q258-L262 PolarHBondContact O-N 3.39Å |
| 259 | Q | 58.4 | Low | 63.9 | Low | 143 Ų | 143 | 113.3 Ų | 113.3 | 67% | 0.668 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.6 | -25.7 | 174.2 | -171 | 169.5 | -1.9 | 0 | 0 | 112.7 | Y255 L257 K263 | Y255-Q259 WeakPolarHBondContact O-CB 3.49Å; Y255-Q259 PolarHBondContact O-N 2.89Å; L257-Q259 VanDerWaalsContact C-N 3.29Å; L257-Q259 PolarHBondContact O-N 3.43Å; Q259-K263 VanDerWaalsContact O-CB 3.3Å; Q259-K263 WeakPolarHBondContact O-CB 3.34Å; Q259-K263 PolarHBondContact O-N 3.41Å |
| 260 | R | 69.4 | Low | 64.1 | Low | 184 Ų | 184 | 111.8 Ų | 111.8 | 69% | 0.694 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -73.7 | -48.3 | 168.6 | -113.1 | -175.4 | 179.2 | 105.9 | -2.9 | 111.1 | S256 L257 L262 K263 D264 | S256-R260 PolarHBondContact O-N 3.49Å; S256-R260 VanDerWaalsContact O-N 3.13Å; L257-R260 CarbonylContact O-C 3.47Å; L257-R260 WeakPolarHBondContact O-CA 3.46Å; L257-R260 WeakPolarHBondContact O-CB 3.25Å; L257-R260 PolarHBondContact O-N 3.31Å; L257-R260 VanDerWaalsContact O-N 3.08Å; R260-L262 VanDerWaalsContact C-N 3.33Å; R260-L262 PolarHBondContact O-N 3.02Å; R260-K263 CarbonylContact O-C 3.56Å; R260-K263 WeakPolarHBondContact O-CA 3.39Å; R260-K263 WeakPolarHBondContact O-CB 3.44Å; R260-K263 PolarHBondContact O-N 3Å; R260-D264 PolarHBondContact O-N 3.39Å |
| 261 | D | 72.3 | Confident | 64 | Low | 98 Ų | 98 | 107 Ų | 107 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 176.8 | -75.7 | -4.7 | 0 | 0 | 0 | 111.2 | L257 K263 D264 L265 | L257-D261 PolarHBondContact O-N 3.42Å; D261-K263 VanDerWaalsContact C-N 3.27Å; D261-K263 PolarHBondContact O-N 3.28Å; D261-D264 PolarHBondContact O-N 2.93Å; D261-L265 WeakPolarHBondContact O-CB 3.5Å; D261-L265 PolarHBondContact O-N 3.27Å |
| 262 | L | 71.3 | Confident | 64.3 | Low | 108 Ų | 108 | 106.9 Ų | 106.9 | 57% | 0.565 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.6 | -30.4 | 174.4 | -154.3 | 84 | 0 | 0 | 0 | 111.6 | Q258 R260 M266 | Q258-L262 WeakPolarHBondContact O-CB 3.19Å; Q258-L262 PolarHBondContact O-N 3.39Å; R260-L262 VanDerWaalsContact C-N 3.33Å; R260-L262 PolarHBondContact O-N 3.02Å; L262-M266 WeakPolarHBondContact O-CB 3.39Å; L262-M266 PolarHBondContact O-N 3.4Å |
| 263 | K | 70.4 | Confident | 64.4 | Low | 144 Ų | 144 | 109.1 Ų | 109.1 | 63% | 0.626 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74.7 | -42.1 | 176.2 | -171.5 | 178.6 | 179 | 180 | 0 | 111.2 | Q259 R260 D261 M266 V267 | Q259-K263 VanDerWaalsContact O-CB 3.3Å; Q259-K263 WeakPolarHBondContact O-CB 3.34Å; Q259-K263 PolarHBondContact O-N 3.41Å; R260-K263 CarbonylContact O-C 3.56Å; R260-K263 WeakPolarHBondContact O-CA 3.39Å; R260-K263 WeakPolarHBondContact O-CB 3.44Å; R260-K263 PolarHBondContact O-N 3Å; D261-K263 VanDerWaalsContact C-N 3.27Å; D261-K263 PolarHBondContact O-N 3.28Å; K263-M266 PolarHBondContact O-N 3.05Å; K263-V267 VanDerWaalsContact O-CG2 3.31Å; K263-V267 WeakPolarHBondContact O-CG2 3.44Å; K263-V267 PolarHBondContact O-N 3.37Å |
| 264 | D | 73 | Confident | 64.4 | Low | 107 Ų | 107 | 113.4 Ų | 113.4 | 57% | 0.572 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.7 | -42.3 | 172.8 | -95.4 | 7.4 | 0 | 0 | 0 | 111.1 | R260 D261 M266 V267 D268 | R260-D264 PolarHBondContact O-N 3.39Å; D261-D264 PolarHBondContact O-N 2.93Å; D264-M266 VanDerWaalsContact C-N 3.28Å; D264-M266 PolarHBondContact O-N 3.44Å; D264-V267 CarbonylContact O-C 3.59Å; D264-V267 WeakPolarHBondContact O-CA 3.4Å; D264-V267 WeakPolarHBondContact O-CB 3.44Å; D264-V267 PolarHBondContact O-N 3.43Å; D264-D268 WeakPolarHBondContact O-CB 3.4Å; D264-D268 PolarHBondContact O-N 3.03Å |
| 265 | L | 77.1 | Confident | 63.8 | Low | 105 Ų | 105 | 114.5 Ų | 114.5 | 55% | 0.55 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.2 | -31.9 | 175.6 | -155.9 | 149.7 | 0 | 0 | 0 | 111.1 | D261 L269 | D261-L265 WeakPolarHBondContact O-CB 3.5Å; D261-L265 PolarHBondContact O-N 3.27Å; L265-L269 HydrophobicContact CD2-CD1 4.15Å; L265-L269 WeakPolarHBondContact O-CB 3.33Å; L265-L269 PolarHBondContact O-N 2.95Å |
| 266 | M | 71.5 | Confident | 63 | Low | 112 Ų | 112 | 110.1 Ų | 110.1 | 55% | 0.552 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -74.3 | -27.1 | 172.4 | -160 | -165.7 | -41.9 | 0 | 0 | 112.7 | L262 K263 D264 R270 | L262-M266 WeakPolarHBondContact O-CB 3.39Å; L262-M266 PolarHBondContact O-N 3.4Å; K263-M266 PolarHBondContact O-N 3.05Å; D264-M266 VanDerWaalsContact C-N 3.28Å; D264-M266 PolarHBondContact O-N 3.44Å; M266-R270 WeakPolarHBondContact O-CB 3.36Å; M266-R270 PolarHBondContact O-N 2.98Å |
| 267 | V | 73.7 | Confident | 62.2 | Low | 90 Ų | 90 | 117.1 Ų | 117.1 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.6 | -42 | 170.6 | 168.7 | 0 | 0 | 0 | 0 | 110.2 | K263 D264 R270 G271 | K263-V267 VanDerWaalsContact O-CG2 3.31Å; K263-V267 WeakPolarHBondContact O-CG2 3.44Å; K263-V267 PolarHBondContact O-N 3.37Å; D264-V267 CarbonylContact O-C 3.59Å; D264-V267 WeakPolarHBondContact O-CA 3.4Å; D264-V267 WeakPolarHBondContact O-CB 3.44Å; D264-V267 PolarHBondContact O-N 3.43Å; V267-R270 CarbonylContact O-C 3.6Å; V267-R270 WeakPolarHBondContact O-CB 3.32Å; V267-R270 PolarHBondContact O-N 2.79Å; V267-G271 PolarHBondContact O-N 3.42Å |
| 268 | D | 71.6 | Confident | 60.8 | Low | 119 Ų | 119 | 114.4 Ų | 114.4 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.8 | -40.9 | 173.1 | -88.3 | -5 | 0 | 0 | 0 | 111.5 | D264 R270 G271 L272 | D264-D268 WeakPolarHBondContact O-CB 3.4Å; D264-D268 PolarHBondContact O-N 3.03Å; D268-R270 VanDerWaalsContact C-N 3.31Å; D268-R270 PolarHBondContact O-N 3.42Å; D268-G271 CarbonylContact O-C 3.13Å; D268-G271 WeakPolarHBondContact O-CA 3.22Å; D268-G271 PolarHBondContact O-N 2.89Å; D268-G271 VanDerWaalsContact O-N 3.15Å; D268-L272 VanDerWaalsContact O-CB 3.22Å; D268-L272 WeakPolarHBondContact O-CB 3.36Å; D268-L272 PolarHBondContact O-N 2.67Å |
| 269 | L | 67.5 | Low | 59.4 | Low | 96 Ų | 96 | 118.6 Ų | 118.6 | 50% | 0.503 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.7 | -31.4 | 174.9 | -141.8 | 100.6 | 0 | 0 | 0 | 110.9 | L265 L272 V273 | L265-L269 HydrophobicContact CD2-CD1 4.15Å; L265-L269 WeakPolarHBondContact O-CB 3.33Å; L265-L269 PolarHBondContact O-N 2.95Å; L269-L272 PolarHBondContact O-N 3.33Å; L269-V273 HydrophobicContact CD2-CG2 4.45Å; L269-V273 WeakPolarHBondContact O-CB 3.31Å; L269-V273 WeakPolarHBondContact O-CG2 3.44Å; L269-V273 PolarHBondContact O-N 3.47Å |
| 270 | R | 64.3 | Low | 57.9 | Low | 167 Ų | 167 | 115.2 Ų | 115.2 | 63% | 0.63 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.5 | -41.6 | 169.2 | -177.1 | -180 | -63.3 | -110.5 | -2.4 | 110.1 | M266 V267 D268 L272 H274 | M266-R270 WeakPolarHBondContact O-CB 3.36Å; M266-R270 PolarHBondContact O-N 2.98Å; V267-R270 CarbonylContact O-C 3.6Å; V267-R270 WeakPolarHBondContact O-CB 3.32Å; V267-R270 PolarHBondContact O-N 2.79Å; D268-R270 VanDerWaalsContact C-N 3.31Å; D268-R270 PolarHBondContact O-N 3.42Å; R270-L272 VanDerWaalsContact C-N 3.33Å; R270-H274 PolarHBondContact O-N 2.92Å; R270-H274 VanDerWaalsContact O-N 3.15Å; R270-H274 PolarHBondContact O-ND1 2.83Å |
| 271 | G | 56.6 | Low | 56 | Low | 42 Ų | 42 | 113 Ų | 113 | 43% | 0.433 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -61.7 | -39.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V267 D268 H274 A275 | V267-G271 PolarHBondContact O-N 3.42Å; D268-G271 CarbonylContact O-C 3.13Å; D268-G271 WeakPolarHBondContact O-CA 3.22Å; D268-G271 PolarHBondContact O-N 2.89Å; D268-G271 VanDerWaalsContact O-N 3.15Å; G271-H274 CarbonylContact O-C 3.58Å; G271-H274 PolarHBondContact O-N 2.85Å; G271-A275 VanDerWaalsContact O-CB 3.24Å; G271-A275 WeakPolarHBondContact O-CB 3.09Å; G271-A275 PolarHBondContact O-N 3.28Å |
| 272 | L | 57.5 | Low | 53.9 | Low | 113 Ų | 113 | 111.8 Ų | 111.8 | 59% | 0.592 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -81.8 | -30.1 | -177.8 | -155.8 | 79 | 0 | 0 | 0 | 112.6 | D268 L269 R270 H274 A275 G276 | D268-L272 VanDerWaalsContact O-CB 3.22Å; D268-L272 WeakPolarHBondContact O-CB 3.36Å; D268-L272 PolarHBondContact O-N 2.67Å; L269-L272 PolarHBondContact O-N 3.33Å; R270-L272 VanDerWaalsContact C-N 3.33Å; L272-H274 PolarHBondContact O-N 2.91Å; L272-A275 CarbonylContact O-C 3.5Å; L272-A275 WeakPolarHBondContact O-CA 3.48Å; L272-A275 PolarHBondContact O-N 2.86Å; L272-G276 WeakPolarHBondContact O-CA 3.17Å; L272-G276 PolarHBondContact O-N 2.85Å |
| 273 | V | 53.5 | Low | 51.9 | Low | 109 Ų | 109 | 112.2 Ų | 112.2 | 66% | 0.661 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70 | -24.8 | 168.9 | 164.9 | 0 | 0 | 0 | 0 | 110.8 | L269 | L269-V273 HydrophobicContact CD2-CG2 4.45Å; L269-V273 WeakPolarHBondContact O-CB 3.31Å; L269-V273 WeakPolarHBondContact O-CG2 3.44Å; L269-V273 PolarHBondContact O-N 3.47Å |
| 274 | H | 51.9 | Low | 50.7 | Low | 158 Ų | 158 | 110.4 Ų | 110.4 | 73% | 0.731 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -82.7 | -12.9 | 164.9 | -69.5 | 78.2 | 0 | 0 | 0 | 113 | R270 G271 L272 | R270-H274 PolarHBondContact O-N 2.92Å; R270-H274 VanDerWaalsContact O-N 3.15Å; R270-H274 PolarHBondContact O-ND1 2.83Å; G271-H274 CarbonylContact O-C 3.58Å; G271-H274 PolarHBondContact O-N 2.85Å; L272-H274 PolarHBondContact O-N 2.91Å |
| 275 | A | 45.6 | Very low | 48.5 | Very low | 78 Ų | 78 | 111.8 Ų | 111.8 | 65% | 0.645 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -124.9 | 22.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G271 L272 | G271-A275 VanDerWaalsContact O-CB 3.24Å; G271-A275 WeakPolarHBondContact O-CB 3.09Å; G271-A275 PolarHBondContact O-N 3.28Å; L272-A275 CarbonylContact O-C 3.5Å; L272-A275 WeakPolarHBondContact O-CA 3.48Å; L272-A275 PolarHBondContact O-N 2.86Å |
| 276 | G | 36 | Very low | 46.1 | Very low | 45 Ų | 45 | 110 Ų | 110 | 46% | 0.464 | 69% | 0.687 | S | S | . | * | trans | -150.1 | 49.5 | -167 | 0 | 0 | 0 | 0 | 0 | 113.8 | L272 G278 | L272-G276 WeakPolarHBondContact O-CA 3.17Å; L272-G276 PolarHBondContact O-N 2.85Å; G276-G278 PolarHBondContact O-N 2.87Å | ||
| 277 | Q | 43.7 | Very low | 44.2 | Very low | 210 Ų | 210 | 111.2 Ų | 111.2 | 98% | 0.981 | 70% | 0.701 | S | S | * | * | trans | -72.4 | 79.7 | 152.8 | -165 | 179.3 | 22.3 | 0 | 0 | 107.3 | ||||
| 278 | G | 31.4 | Very low | 42.2 | Very low | 60 Ų | 60 | 112.6 Ų | 112.6 | 62% | 0.619 | 71% | 0.714 | S | S | * | * | trans | 175.8 | 97.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G276 | G276-G278 PolarHBondContact O-N 2.87Š| ||
| 279 | Q | 30.5 | Very low | 41.1 | Very low | 202 Ų | 202 | 112.3 Ų | 112.3 | 94% | 0.944 | 72% | 0.722 | S | S | * | * | trans | 49.7 | 123 | 144.8 | -75.3 | 176.6 | 6.5 | 0 | 0 | 121.4 | ||||
| 280 | G | 27.1 | Very low | 40 | Very low | 73 Ų | 73 | 114.4 Ų | 114.4 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | 108.2 | 101.6 | 106.5 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 281 | S | 29.9 | Very low | 39.1 | Very low | 136 Ų | 136 | 116.5 Ų | 116.5 | 95% | 0.951 | 75% | 0.747 | S | S | * | * | 43.1 | 131 | 130 | -152.4 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 282 | G | 27 | Very low | 38.3 | Very low | 74 Ų | 74 | 116.9 Ų | 116.9 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | trans | 153.5 | 108.5 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 283 | S | 30.6 | Very low | 38 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -65.8 | 179.3 | 157.9 | -156.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 284 | P | 44.5 | Very low | 37.8 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | cis | -149.9 | -174.1 | 12.7 | 32.4 | -5.2 | 0 | 0 | 0 | 118.7 | ||||
| 285 | T | 26 | Very low | 37.9 | Very low | 137 Ų | 137 | 119.5 Ų | 119.5 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | 88.7 | 134.8 | 142.4 | -0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 286 | G | 26.7 | Very low | 38.2 | Very low | 66 Ų | 66 | 121 Ų | 121 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | 148.8 | 79.9 | 147 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 287 | T | 31.6 | Very low | 39.2 | Very low | 138 Ų | 138 | 121.8 Ų | 121.8 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | trans | 32.3 | 121.3 | 134.9 | -24.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 288 | S | 32 | Very low | 39.5 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | 174.9 | 133.2 | 107.9 | 45.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 289 | S | 49.1 | Very low | 40.9 | Very low | 114 Ų | 114 | 118 Ų | 118 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | trans | -74.7 | 168.9 | 171.1 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 290 | T | 44.6 | Very low | 42.4 | Very low | 139 Ų | 139 | 111.1 Ų | 111.1 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | trans | 106.7 | 47.5 | 173.6 | -29.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 291 | R | 44.4 | Very low | 43.9 | Very low | 212 Ų | 212 | 110.2 Ų | 110.2 | 80% | 0.8 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -136.8 | -4.8 | 163.5 | -167.1 | 170.8 | -74.4 | -172.9 | -2.3 | 114.9 | I295 | R291-I295 HydrophobicContact CG-CD1 4.46Š|
| 292 | G | 40.8 | Very low | 45.3 | Very low | 49 Ų | 49 | 110.1 Ų | 110.1 | 51% | 0.505 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -79 | -31.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 293 | K | 50.9 | Low | 47.1 | Very low | 189 Ų | 189 | 114.5 Ų | 114.5 | 82% | 0.822 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76 | -27.8 | -169.4 | -85.8 | 179.9 | 172.3 | 177.2 | 0 | 115.3 | ||
| 294 | D | 49.1 | Very low | 48.8 | Very low | 138 Ų | 138 | 114.5 Ų | 114.5 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -83.5 | -24.6 | -178.1 | -67.9 | -30.3 | 0 | 0 | 0 | 113 | L298 | D294-L298 PolarHBondContact O-N 3.3Å |
| 295 | I | 55.2 | Low | 49.5 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 55% | 0.554 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.5 | -39.3 | 177.1 | -60.9 | 175.6 | 0 | 0 | 0 | 110.1 | R291 S299 | R291-I295 HydrophobicContact CG-CD1 4.46Å; I295-S299 WeakPolarHBondContact O-CB 3.13Å; I295-S299 PolarHBondContact O-N 2.96Å |
| 296 | D | 51.3 | Low | 51 | Low | 109 Ų | 109 | 115.3 Ų | 115.3 | 58% | 0.583 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.2 | -38.4 | 179.1 | -68.9 | -24.2 | 0 | 0 | 0 | 112 | S299 A300 | D296-S299 PolarHBondContact O-N 3.48Å; D296-S299 PolarHBondContact O-OG 3.37Å; D296-A300 PolarHBondContact O-N 3.49Å; D296-A300 VanDerWaalsContact O-N 3.14Å |
| 297 | A | 57.3 | Low | 52.7 | Low | 63 Ų | 63 | 114.9 Ų | 114.9 | 52% | 0.521 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.4 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | S299 A300 A301 | A297-S299 VanDerWaalsContact C-N 3.34Å; A297-A300 PolarHBondContact O-N 2.99Å; A297-A301 PolarHBondContact O-N 3.49Å |
| 298 | L | 50.3 | Low | 54.2 | Low | 122 Ų | 122 | 112.7 Ų | 112.7 | 64% | 0.639 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.4 | -37.8 | 175.7 | -164.9 | 97.2 | 0 | 0 | 0 | 111.5 | D294 A300 A301 M302 | D294-L298 PolarHBondContact O-N 3.3Å; L298-A300 VanDerWaalsContact C-N 3.34Å; L298-A300 PolarHBondContact O-N 2.98Å; L298-A301 PolarHBondContact O-N 3.42Å; L298-M302 PolarHBondContact O-N 3.12Å; L298-M302 VanDerWaalsContact O-N 3.11Å |
| 299 | S | 60.6 | Low | 55.4 | Low | 68 Ų | 68 | 110.8 Ų | 110.8 | 48% | 0.476 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.2 | -35.4 | 178 | 81.2 | 0 | 0 | 0 | 0 | 112.7 | I295 D296 A297 K303 | I295-S299 WeakPolarHBondContact O-CB 3.13Å; I295-S299 PolarHBondContact O-N 2.96Å; D296-S299 PolarHBondContact O-N 3.48Å; D296-S299 PolarHBondContact O-OG 3.37Å; A297-S299 VanDerWaalsContact C-N 3.34Å; S299-K303 WeakPolarHBondContact O-CB 3.41Å; S299-K303 PolarHBondContact O-N 2.97Å; S299-K303 VanDerWaalsContact O-N 3.17Å |
| 300 | A | 60.7 | Low | 56.3 | Low | 57 Ų | 57 | 112 Ų | 112 | 47% | 0.471 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67.5 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D296 A297 L298 M302 K303 E304 | D296-A300 PolarHBondContact O-N 3.49Å; D296-A300 VanDerWaalsContact O-N 3.14Å; A297-A300 PolarHBondContact O-N 2.99Å; L298-A300 VanDerWaalsContact C-N 3.34Å; L298-A300 PolarHBondContact O-N 2.98Å; A300-M302 PolarHBondContact O-N 2.86Å; A300-K303 PolarHBondContact O-N 3.11Å; A300-E304 PolarHBondContact O-N 3.26Å; A300-E304 VanDerWaalsContact O-N 3.09Å |
| 301 | A | 60.2 | Low | 57.8 | Low | 54 Ų | 54 | 111.6 Ų | 111.6 | 45% | 0.446 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.5 | -37.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A297 L298 E304 Q305 | A297-A301 PolarHBondContact O-N 3.49Å; L298-A301 PolarHBondContact O-N 3.42Å; A301-E304 PolarHBondContact O-N 3.31Å; A301-Q305 PolarHBondContact O-N 2.84Å |
| 302 | M | 57.8 | Low | 58.9 | Low | 134 Ų | 134 | 105.8 Ų | 105.8 | 66% | 0.66 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67 | -36.7 | 174.6 | -74.6 | -166.6 | 89.6 | 0 | 0 | 112.3 | L298 A300 E304 Q305 L306 | L298-M302 PolarHBondContact O-N 3.12Å; L298-M302 VanDerWaalsContact O-N 3.11Å; A300-M302 PolarHBondContact O-N 2.86Å; M302-E304 VanDerWaalsContact C-N 3.31Å; M302-E304 PolarHBondContact O-N 3.46Å; M302-Q305 PolarHBondContact O-N 3.2Å; M302-L306 WeakPolarHBondContact O-CB 3.43Å; M302-L306 PolarHBondContact O-N 2.74Å |
| 303 | K | 64.4 | Low | 60 | Low | 166 Ų | 166 | 109.2 Ų | 109.2 | 72% | 0.722 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.6 | -34.3 | 178 | -155.4 | 174.5 | -174.9 | 178.1 | 0 | 111.8 | S299 A300 L306 S307 | S299-K303 WeakPolarHBondContact O-CB 3.41Å; S299-K303 PolarHBondContact O-N 2.97Å; S299-K303 VanDerWaalsContact O-N 3.17Å; A300-K303 PolarHBondContact O-N 3.11Å; K303-L306 PolarHBondContact O-N 2.86Å; K303-S307 PolarHBondContact O-N 3.42Å; K303-S307 PolarHBondContact O-OG 2.88Å |
| 304 | E | 67.5 | Low | 60.9 | Low | 118 Ų | 118 | 103.7 Ų | 103.7 | 55% | 0.551 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.8 | -35.4 | 174.3 | -170.1 | 172.3 | -173.2 | 0 | 0 | 112.8 | A300 A301 M302 S307 H308 | A300-E304 PolarHBondContact O-N 3.26Å; A300-E304 VanDerWaalsContact O-N 3.09Å; A301-E304 PolarHBondContact O-N 3.31Å; M302-E304 VanDerWaalsContact C-N 3.31Å; M302-E304 PolarHBondContact O-N 3.46Å; E304-S307 WeakPolarHBondContact CA-OG 3.31Å; E304-S307 PolarHBondContact O-OG 3.3Å; E304-H308 PolarHBondContact O-N 3.49Å; E304-H308 PolarHBondContact O-ND1 3.41Å |
| 305 | Q | 58.8 | Low | 62 | Low | 139 Ų | 139 | 101 Ų | 101 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.8 | -38 | 171.3 | -81.8 | -69.6 | -80.4 | 0 | 0 | 112.5 | A301 M302 H308 S309 | A301-Q305 PolarHBondContact O-N 2.84Å; M302-Q305 PolarHBondContact O-N 3.2Å; Q305-H308 PolarHBondContact O-N 2.77Å; Q305-S309 WeakPolarHBondContact O-CB 3.49Å; Q305-S309 PolarHBondContact O-N 2.95Å |
| 306 | L | 56.9 | Low | 62.5 | Low | 120 Ų | 120 | 100.6 Ų | 100.6 | 63% | 0.628 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.6 | -36.8 | 178.3 | -142.6 | 152.7 | 0 | 0 | 0 | 111.3 | M302 K303 S309 Q310 | M302-L306 WeakPolarHBondContact O-CB 3.43Å; M302-L306 PolarHBondContact O-N 2.74Å; K303-L306 PolarHBondContact O-N 2.86Å; L306-S309 PolarHBondContact O-N 2.82Å; L306-Q310 WeakPolarHBondContact O-CB 3.33Å; L306-Q310 PolarHBondContact O-N 2.89Å |
| 307 | S | 63.6 | Low | 63.8 | Low | 57 Ų | 57 | 99.9 Ų | 99.9 | 40% | 0.399 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 173.5 | 67 | 0 | 0 | 0 | 0 | 112.6 | K303 E304 Q310 Q311 | K303-S307 PolarHBondContact O-N 3.42Å; K303-S307 PolarHBondContact O-OG 2.88Å; E304-S307 WeakPolarHBondContact CA-OG 3.31Å; E304-S307 PolarHBondContact O-OG 3.3Å; S307-Q310 PolarHBondContact O-N 3.24Å; S307-Q311 WeakPolarHBondContact O-CB 3.11Å; S307-Q311 PolarHBondContact O-N 2.96Å |
| 308 | H | 62.2 | Low | 64.6 | Low | 91 Ų | 91 | 98.3 Ų | 98.3 | 42% | 0.421 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 173.7 | -82 | 70.2 | 0 | 0 | 0 | 111.8 | E304 Q305 Q310 Q311 V312 | E304-H308 PolarHBondContact O-N 3.49Å; E304-H308 PolarHBondContact O-ND1 3.41Å; Q305-H308 PolarHBondContact O-N 2.77Å; H308-Q310 VanDerWaalsContact C-N 3.3Å; H308-Q310 PolarHBondContact O-N 3.23Å; H308-Q311 PolarHBondContact O-N 3.06Å; H308-V312 WeakPolarHBondContact O-CG2 3.4Å; H308-V312 PolarHBondContact O-N 2.9Å |
| 309 | S | 58.8 | Low | 65.3 | Low | 80 Ų | 80 | 97 Ų | 97 | 56% | 0.559 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.1 | -40.3 | 174.8 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | Q305 L306 V312 H313 | Q305-S309 WeakPolarHBondContact O-CB 3.49Å; Q305-S309 PolarHBondContact O-N 2.95Å; L306-S309 PolarHBondContact O-N 2.82Å; S309-V312 PolarHBondContact O-N 3.48Å; S309-H313 WeakPolarHBondContact O-CB 3.28Å; S309-H313 PolarHBondContact O-N 3.09Å |
| 310 | Q | 66.5 | Low | 66 | Low | 140 Ų | 140 | 102.4 Ų | 102.4 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.1 | -34.9 | 178.5 | -163.5 | 172.8 | 3.8 | 0 | 0 | 112.1 | L306 S307 H308 H313 S314 | L306-Q310 WeakPolarHBondContact O-CB 3.33Å; L306-Q310 PolarHBondContact O-N 2.89Å; S307-Q310 PolarHBondContact O-N 3.24Å; H308-Q310 VanDerWaalsContact C-N 3.3Å; H308-Q310 PolarHBondContact O-N 3.23Å; Q310-H313 PolarHBondContact O-N 2.97Å; Q310-S314 PolarHBondContact O-N 2.91Å |
| 311 | Q | 75.9 | Confident | 66.8 | Low | 129 Ų | 129 | 106.4 Ų | 106.4 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.2 | -36.3 | 175 | -171.9 | 174.4 | 7.9 | 0 | 0 | 112.9 | S307 H308 H313 S314 C315 | S307-Q311 WeakPolarHBondContact O-CB 3.11Å; S307-Q311 PolarHBondContact O-N 2.96Å; H308-Q311 PolarHBondContact O-N 3.06Å; Q311-H313 VanDerWaalsContact C-N 3.3Å; Q311-S314 PolarHBondContact O-OG 3.41Å; Q311-C315 WeakPolarHBondContact O-CB 3.05Å; Q311-C315 PolarHBondContact O-N 3.46Å; Q311-C315 VanDerWaalsContact O-N 3.09Å |
| 312 | V | 67.7 | Low | 67.6 | Low | 91 Ų | 91 | 113.3 Ų | 113.3 | 55% | 0.552 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.9 | -37.4 | 172.2 | 171.8 | 0 | 0 | 0 | 0 | 110.3 | H308 S309 C315 L316 | H308-V312 WeakPolarHBondContact O-CG2 3.4Å; H308-V312 PolarHBondContact O-N 2.9Å; S309-V312 PolarHBondContact O-N 3.48Å; V312-C315 PolarHBondContact O-N 3.15Å; V312-L316 HydrophobicContact CG1-CD1 4.28Å; V312-L316 WeakPolarHBondContact O-CG 3.46Å; V312-L316 PolarHBondContact O-N 2.9Å |
| 313 | H | 65.4 | Low | 68 | Low | 120 Ų | 120 | 112.5 Ų | 112.5 | 56% | 0.556 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.1 | -43.1 | 178 | -153.5 | 36.1 | 0 | 0 | 0 | 112.2 | S309 Q310 Q311 C315 L316 E317 | S309-H313 WeakPolarHBondContact O-CB 3.28Å; S309-H313 PolarHBondContact O-N 3.09Å; Q310-H313 PolarHBondContact O-N 2.97Å; Q311-H313 VanDerWaalsContact C-N 3.3Å; H313-C315 VanDerWaalsContact C-N 3.32Å; H313-C315 PolarHBondContact O-N 3.37Å; H313-L316 PolarHBondContact O-N 3.34Å; H313-E317 PolarHBondContact O-N 3.5Å |
| 314 | S | 69.3 | Low | 68.5 | Low | 74 Ų | 74 | 108.1 Ų | 108.1 | 52% | 0.517 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.6 | -32.2 | 175 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | Q310 Q311 E317 G318 | Q310-S314 PolarHBondContact O-N 2.91Å; Q311-S314 PolarHBondContact O-OG 3.41Å; S314-E317 PolarHBondContact O-N 3Å; S314-G318 PolarHBondContact O-N 3.28Å |
| 315 | C | 72.3 | Confident | 69 | Low | 81 Ų | 81 | 104 Ų | 104 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | Q311 V312 H313 G318 L319 | Q311-C315 WeakPolarHBondContact O-CB 3.05Å; Q311-C315 PolarHBondContact O-N 3.46Å; Q311-C315 VanDerWaalsContact O-N 3.09Å; V312-C315 PolarHBondContact O-N 3.15Å; H313-C315 VanDerWaalsContact C-N 3.32Å; H313-C315 PolarHBondContact O-N 3.37Å; C315-G318 PolarHBondContact O-N 2.87Å; C315-L319 PolarHBondContact O-N 3.29Å; C315-L319 VanDerWaalsContact O-N 3.1Å |
| 316 | L | 65.6 | Low | 69.6 | Low | 100 Ų | 100 | 102.9 Ų | 102.9 | 52% | 0.524 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 174.1 | -76.5 | 172.3 | 0 | 0 | 0 | 112.2 | V312 H313 L319 R320 | V312-L316 HydrophobicContact CG1-CD1 4.28Å; V312-L316 WeakPolarHBondContact O-CG 3.46Å; V312-L316 PolarHBondContact O-N 2.9Å; H313-L316 PolarHBondContact O-N 3.34Å; L316-L319 PolarHBondContact O-N 3.5Å; L316-R320 PolarHBondContact O-N 2.96Å |
| 317 | E | 77.3 | Confident | 70.3 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 174.9 | -150.2 | 102.4 | -129.9 | 0 | 0 | 111 | H313 S314 L319 R320 E321 | H313-E317 PolarHBondContact O-N 3.5Å; S314-E317 PolarHBondContact O-N 3Å; E317-L319 VanDerWaalsContact C-N 3.32Å; E317-L319 PolarHBondContact O-N 3.45Å; E317-R320 WeakPolarHBondContact O-CB 3.16Å; E317-R320 PolarHBondContact O-N 2.95Å; E317-R320 VanDerWaalsContact O-N 3.11Å; E317-E321 PolarHBondContact O-N 3Å |
| 318 | G | 74.1 | Confident | 71 | Confident | 29 Ų | 29 | 106.6 Ų | 106.6 | 30% | 0.299 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -30.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S314 C315 R322 | S314-G318 PolarHBondContact O-N 3.28Å; C315-G318 PolarHBondContact O-N 2.87Å; G318-R322 WeakPolarHBondContact O-CG 3.18Å; G318-R322 PolarHBondContact O-N 2.71Å |
| 319 | L | 66.4 | Low | 71.7 | Confident | 95 Ų | 95 | 105.8 Ų | 105.8 | 50% | 0.497 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.9 | -37.5 | 171.4 | -93.5 | 158.8 | 0 | 0 | 0 | 112 | C315 L316 E317 R322 L323 | C315-L319 PolarHBondContact O-N 3.29Å; C315-L319 VanDerWaalsContact O-N 3.1Å; L316-L319 PolarHBondContact O-N 3.5Å; E317-L319 VanDerWaalsContact C-N 3.32Å; E317-L319 PolarHBondContact O-N 3.45Å; L319-R322 PolarHBondContact O-N 3.21Å; L319-L323 PolarHBondContact O-N 3.19Å |
| 320 | R | 75.8 | Confident | 72 | Confident | 182 Ų | 182 | 110.5 Ų | 110.5 | 69% | 0.687 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 176.1 | -171.7 | 174.6 | -169 | -104.4 | -5.6 | 111.6 | L316 E317 R322 L323 D324 | L316-R320 PolarHBondContact O-N 2.96Å; E317-R320 WeakPolarHBondContact O-CB 3.16Å; E317-R320 PolarHBondContact O-N 2.95Å; E317-R320 VanDerWaalsContact O-N 3.11Å; R320-R322 VanDerWaalsContact C-N 3.32Å; R320-R322 PolarHBondContact O-N 3.35Å; R320-L323 PolarHBondContact O-N 2.64Å; R320-D324 PolarHBondContact O-N 3.29Å |
| 321 | E | 77.2 | Confident | 71.9 | Confident | 140 Ų | 140 | 107.1 Ų | 107.1 | 65% | 0.654 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.9 | -37.1 | 175.5 | -70.9 | -180 | 171.2 | 0 | 0 | 112.5 | E317 D324 G325 | E317-E321 PolarHBondContact O-N 3Å; E321-D324 PolarHBondContact O-N 2.96Å; E321-G325 PolarHBondContact O-N 2.77Å |
| 322 | R | 76.3 | Confident | 71.9 | Confident | 200 Ų | 200 | 107.8 Ų | 107.8 | 76% | 0.755 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.5 | -38 | 175 | -76 | -176.3 | 178.4 | -160.2 | 0.4 | 113 | G318 L319 R320 L326 | G318-R322 WeakPolarHBondContact O-CG 3.18Å; G318-R322 PolarHBondContact O-N 2.71Å; L319-R322 PolarHBondContact O-N 3.21Å; R320-R322 VanDerWaalsContact C-N 3.32Å; R320-R322 PolarHBondContact O-N 3.35Å; R322-L326 WeakPolarHBondContact O-CB 3.28Å; R322-L326 PolarHBondContact O-N 3.46Å |
| 323 | L | 66.7 | Low | 71.7 | Confident | 116 Ų | 116 | 109.4 Ų | 109.4 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.7 | -43 | 174.7 | -95.8 | 154.7 | 0 | 0 | 0 | 111.6 | L319 R320 G325 L326 E327 | L319-L323 PolarHBondContact O-N 3.19Å; R320-L323 PolarHBondContact O-N 2.64Å; L323-G325 VanDerWaalsContact C-N 3.35Å; L323-G325 PolarHBondContact O-N 2.75Å; L323-L326 PolarHBondContact O-N 3.43Å; L323-E327 PolarHBondContact O-N 3.48Å |
| 324 | D | 75.1 | Confident | 71.8 | Confident | 75 Ų | 75 | 105.6 Ų | 105.6 | 40% | 0.401 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 176.9 | -167.6 | 64.2 | 0 | 0 | 0 | 112 | R320 E321 E327 K328 | R320-D324 PolarHBondContact O-N 3.29Å; E321-D324 PolarHBondContact O-N 2.96Å; D324-E327 PolarHBondContact O-N 3.24Å; D324-K328 WeakPolarHBondContact O-CG 3.19Å; D324-K328 PolarHBondContact O-N 2.98Å; D324-K328 VanDerWaalsContact O-N 3.11Å; D324-K328 WeakPolarHBondContact OD2-CE 3.36Å; D324-K328 IonicContact OD2-NZ 3.71Å; D324-K328 PolarHBondContact OD2-NZ 2.86Å |
| 325 | G | 76.7 | Confident | 71.9 | Confident | 32 Ų | 32 | 103.9 Ų | 103.9 | 33% | 0.33 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E321 L323 K328 T329 | E321-G325 PolarHBondContact O-N 2.77Å; L323-G325 VanDerWaalsContact C-N 3.35Å; L323-G325 PolarHBondContact O-N 2.75Å; G325-K328 PolarHBondContact O-N 3.46Å; G325-T329 WeakPolarHBondContact O-CG2 3.34Å; G325-T329 PolarHBondContact O-N 2.94Å; G325-T329 VanDerWaalsContact O-N 3.11Å |
| 326 | L | 71.9 | Confident | 71.8 | Confident | 114 Ų | 114 | 105.6 Ų | 105.6 | 60% | 0.597 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 178.6 | -166.3 | 68 | 0 | 0 | 0 | 111.6 | R322 L323 K328 T329 Y330 | R322-L326 WeakPolarHBondContact O-CB 3.28Å; R322-L326 PolarHBondContact O-N 3.46Å; L323-L326 PolarHBondContact O-N 3.43Å; L326-K328 PolarHBondContact O-N 3.5Å; L326-T329 PolarHBondContact O-N 2.82Å; L326-T329 PolarHBondContact O-OG1 3.38Å; L326-Y330 PolarHBondContact O-N 2.96Å |
| 327 | E | 72.3 | Confident | 71.9 | Confident | 130 Ų | 130 | 105.3 Ų | 105.3 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.5 | -41.1 | 176.1 | -174.3 | 171.6 | -176.1 | 0 | 0 | 112.4 | L323 D324 Y330 S331 | L323-E327 PolarHBondContact O-N 3.48Å; D324-E327 PolarHBondContact O-N 3.24Å; E327-Y330 PolarHBondContact O-N 3.41Å; E327-S331 WeakPolarHBondContact O-CB 3.45Å; E327-S331 PolarHBondContact O-N 3.42Å; E327-S331 PolarHBondContact O-OG 2.96Å |
| 328 | K | 78.6 | Confident | 71.4 | Confident | 126 Ų | 126 | 107.7 Ų | 107.7 | 55% | 0.548 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 173.7 | -76.7 | 167.5 | 177.9 | 152.7 | 0 | 112.4 | D324 G325 L326 S331 Q332 | D324-K328 WeakPolarHBondContact O-CG 3.19Å; D324-K328 PolarHBondContact O-N 2.98Å; D324-K328 VanDerWaalsContact O-N 3.11Å; D324-K328 WeakPolarHBondContact OD2-CE 3.36Å; D324-K328 IonicContact OD2-NZ 3.71Å; D324-K328 PolarHBondContact OD2-NZ 2.86Å; G325-K328 PolarHBondContact O-N 3.46Å; L326-K328 PolarHBondContact O-N 3.5Å; K328-S331 PolarHBondContact O-N 3.48Å; K328-Q332 PolarHBondContact O-N 2.98Å |
| 329 | T | 75.1 | Confident | 70.9 | Confident | 74 Ų | 74 | 111.7 Ų | 111.7 | 45% | 0.454 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.8 | -37.3 | 177.1 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | G325 L326 S331 Q332 M333 | G325-T329 WeakPolarHBondContact O-CG2 3.34Å; G325-T329 PolarHBondContact O-N 2.94Å; G325-T329 VanDerWaalsContact O-N 3.11Å; L326-T329 PolarHBondContact O-N 2.82Å; L326-T329 PolarHBondContact O-OG1 3.38Å; T329-S331 VanDerWaalsContact C-N 3.35Å; T329-Q332 PolarHBondContact O-N 3.47Å; T329-M333 WeakPolarHBondContact O-CB 3.46Å; T329-M333 PolarHBondContact O-N 3.2Å |
| 330 | Y | 65.1 | Low | 70.3 | Confident | 178 Ų | 178 | 110 Ų | 110 | 70% | 0.698 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.9 | -40.6 | 175.2 | -169.5 | -97.8 | 0 | 0 | 0 | 111.4 | L326 E327 M333 A334 | L326-Y330 PolarHBondContact O-N 2.96Å; E327-Y330 PolarHBondContact O-N 3.41Å; Y330-M333 PolarHBondContact O-N 3.11Å; Y330-A334 WeakPolarHBondContact O-CB 3.29Å; Y330-A334 PolarHBondContact O-N 3.11Å |
| 331 | S | 66.2 | Low | 69.1 | Low | 70 Ų | 70 | 109 Ų | 109 | 49% | 0.49 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.4 | -39.8 | 176.3 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | E327 K328 T329 A334 G335 | E327-S331 WeakPolarHBondContact O-CB 3.45Å; E327-S331 PolarHBondContact O-N 3.42Å; E327-S331 PolarHBondContact O-OG 2.96Å; K328-S331 PolarHBondContact O-N 3.48Å; T329-S331 VanDerWaalsContact C-N 3.35Å; S331-A334 PolarHBondContact O-N 3.49Å; S331-G335 PolarHBondContact O-N 3.44Å |
| 332 | Q | 74.1 | Confident | 67.8 | Low | 143 Ų | 143 | 105.8 Ų | 105.8 | 67% | 0.668 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.1 | -44.1 | 171.9 | -93.3 | 179.8 | -18.2 | 0 | 0 | 112.2 | K328 T329 A334 G335 L336 | K328-Q332 PolarHBondContact O-N 2.98Å; T329-Q332 PolarHBondContact O-N 3.47Å; Q332-A334 VanDerWaalsContact C-N 3.35Å; Q332-A334 PolarHBondContact O-N 3.27Å; Q332-G335 PolarHBondContact O-N 2.95Å; Q332-L336 WeakPolarHBondContact O-CG 3.35Å; Q332-L336 PolarHBondContact O-N 3.11Å |
| 333 | M | 63.6 | Low | 66.4 | Low | 124 Ų | 124 | 101.6 Ų | 101.6 | 61% | 0.611 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.2 | -42.2 | 177.7 | -165.8 | 104.3 | 72.2 | 0 | 0 | 111.2 | T329 Y330 G335 L336 V337 | T329-M333 WeakPolarHBondContact O-CB 3.46Å; T329-M333 PolarHBondContact O-N 3.2Å; Y330-M333 PolarHBondContact O-N 3.11Å; M333-G335 VanDerWaalsContact C-N 3.33Å; M333-G335 PolarHBondContact O-N 2.98Å; M333-L336 PolarHBondContact O-N 3.31Å; M333-V337 VanDerWaalsContact O-CG2 3.31Å; M333-V337 WeakPolarHBondContact O-CG2 3.42Å; M333-V337 PolarHBondContact O-N 3.38Å |
| 334 | A | 68.8 | Low | 65.4 | Low | 40 Ų | 40 | 99.3 Ų | 99.3 | 33% | 0.331 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.2 | -39.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y330 S331 Q332 V337 Q338 | Y330-A334 WeakPolarHBondContact O-CB 3.29Å; Y330-A334 PolarHBondContact O-N 3.11Å; S331-A334 PolarHBondContact O-N 3.49Å; Q332-A334 VanDerWaalsContact C-N 3.35Å; Q332-A334 PolarHBondContact O-N 3.27Å; A334-V337 PolarHBondContact O-N 3.06Å; A334-Q338 WeakPolarHBondContact O-CG 3.44Å; A334-Q338 PolarHBondContact O-N 3.03Å |
| 335 | G | 70.1 | Confident | 64 | Low | 39 Ų | 39 | 103.9 Ų | 103.9 | 40% | 0.402 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.1 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | S331 Q332 M333 V337 Q338 L339 | S331-G335 PolarHBondContact O-N 3.44Å; Q332-G335 PolarHBondContact O-N 2.95Å; M333-G335 VanDerWaalsContact C-N 3.33Å; M333-G335 PolarHBondContact O-N 2.98Å; G335-V337 VanDerWaalsContact C-N 3.34Å; G335-V337 PolarHBondContact O-N 3.1Å; G335-Q338 PolarHBondContact O-N 3.36Å; G335-L339 WeakPolarHBondContact O-CB 3.48Å; G335-L339 PolarHBondContact O-N 3.24Å |
| 336 | L | 70.8 | Confident | 62.2 | Low | 116 Ų | 116 | 108 Ų | 108 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.3 | -36 | 176 | -69.4 | 177 | 0 | 0 | 0 | 112.4 | Q332 M333 L339 A340 | Q332-L336 WeakPolarHBondContact O-CG 3.35Å; Q332-L336 PolarHBondContact O-N 3.11Å; M333-L336 PolarHBondContact O-N 3.31Å; L336-L339 PolarHBondContact O-N 3.22Å; L336-A340 VanDerWaalsContact O-CB 3.31Å; L336-A340 WeakPolarHBondContact O-CB 3.39Å; L336-A340 PolarHBondContact O-N 2.97Å |
| 337 | V | 68.3 | Low | 60.4 | Low | 95 Ų | 95 | 106.1 Ų | 106.1 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.1 | -38.5 | 175.5 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | M333 A334 G335 K341 | M333-V337 VanDerWaalsContact O-CG2 3.31Å; M333-V337 WeakPolarHBondContact O-CG2 3.42Å; M333-V337 PolarHBondContact O-N 3.38Å; A334-V337 PolarHBondContact O-N 3.06Å; G335-V337 VanDerWaalsContact C-N 3.34Å; G335-V337 PolarHBondContact O-N 3.1Å; V337-K341 WeakPolarHBondContact O-CB 3.31Å; V337-K341 PolarHBondContact O-N 2.7Å |
| 338 | Q | 67.3 | Low | 58.5 | Low | 144 Ų | 144 | 107.6 Ų | 107.6 | 67% | 0.673 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70 | -36.6 | 174.2 | -71.6 | -168.7 | 23.9 | 0 | 0 | 112.5 | A334 G335 K341 A342 | A334-Q338 WeakPolarHBondContact O-CG 3.44Å; A334-Q338 PolarHBondContact O-N 3.03Å; G335-Q338 PolarHBondContact O-N 3.36Å; Q338-K341 PolarHBondContact O-N 3.04Å; Q338-A342 WeakPolarHBondContact O-CB 3.46Å; Q338-A342 PolarHBondContact O-N 2.99Å |
| 339 | L | 63.2 | Low | 56.5 | Low | 113 Ų | 113 | 110.9 Ų | 110.9 | 59% | 0.592 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.1 | -43.4 | 173.7 | -170.2 | 76.7 | 0 | 0 | 0 | 111.4 | G335 L336 K341 A342 T343 | G335-L339 WeakPolarHBondContact O-CB 3.48Å; G335-L339 PolarHBondContact O-N 3.24Å; L336-L339 PolarHBondContact O-N 3.22Å; L339-K341 VanDerWaalsContact C-N 3.26Å; L339-K341 PolarHBondContact O-N 3.46Å; L339-A342 PolarHBondContact O-N 3.43Å; L339-T343 PolarHBondContact O-N 2.93Å; L339-T343 VanDerWaalsContact O-N 3.09Å; L339-T343 PolarHBondContact O-OG1 3.04Å |
| 340 | A | 54.3 | Low | 54.7 | Low | 60 Ų | 60 | 114.2 Ų | 114.2 | 50% | 0.496 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.4 | -27.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L336 T343 | L336-A340 VanDerWaalsContact O-CB 3.31Å; L336-A340 WeakPolarHBondContact O-CB 3.39Å; L336-A340 PolarHBondContact O-N 2.97Å; A340-T343 PolarHBondContact O-OG1 2.96Å |
| 341 | K | 49.7 | Very low | 53.7 | Low | 161 Ų | 161 | 111.3 Ų | 111.3 | 70% | 0.7 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.4 | -32.2 | 173.7 | -168.2 | 172.6 | -177.5 | 176.1 | 0 | 112.3 | V337 Q338 L339 | V337-K341 WeakPolarHBondContact O-CB 3.31Å; V337-K341 PolarHBondContact O-N 2.7Å; Q338-K341 PolarHBondContact O-N 3.04Å; L339-K341 VanDerWaalsContact C-N 3.26Å; L339-K341 PolarHBondContact O-N 3.46Å |
| 342 | A | 49.6 | Very low | 52.2 | Low | 72 Ų | 72 | 111.7 Ų | 111.7 | 60% | 0.595 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.6 | -30.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q338 L339 A344 | Q338-A342 WeakPolarHBondContact O-CB 3.46Å; Q338-A342 PolarHBondContact O-N 2.99Å; L339-A342 PolarHBondContact O-N 3.43Å; A342-A344 VanDerWaalsContact C-N 3.32Å |
| 343 | T | 47.3 | Very low | 50.1 | Low | 112 Ų | 112 | 112.8 Ų | 112.8 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -8.9 | 174.5 | 49.2 | 0 | 0 | 0 | 0 | 114 | L339 A340 | L339-T343 PolarHBondContact O-N 2.93Å; L339-T343 VanDerWaalsContact O-N 3.09Å; L339-T343 PolarHBondContact O-OG1 3.04Å; A340-T343 PolarHBondContact O-OG1 2.96Å |
| 344 | A | 45.2 | Very low | 49 | Very low | 68 Ų | 68 | 110 Ų | 110 | 56% | 0.562 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 11.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A342 | A342-A344 VanDerWaalsContact C-N 3.32Š|
| 345 | H | 46.2 | Very low | 47.3 | Very low | 170 Ų | 170 | 112.9 Ų | 112.9 | 79% | 0.787 | 69% | 0.688 | S | S | * | * | trans | -132 | 97.2 | 171.3 | -93.9 | 22.5 | 0 | 0 | 0 | 111.6 | ||||
| 346 | P | 39.6 | Very low | 46.4 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | -89.4 | 111.6 | 146.1 | 14.8 | 3.7 | 0 | 0 | 0 | 107.9 | ||||
| 347 | G | 32.5 | Very low | 45 | Very low | 74 Ų | 74 | 117.1 Ų | 117.1 | 76% | 0.763 | 71% | 0.705 | S | S | * | * | trans | -60.4 | 137.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E349 | G347-E349 PolarHBondContact O-N 3.43Š| ||
| 348 | L | 33.2 | Very low | 43.8 | Very low | 162 Ų | 162 | 118.2 Ų | 118.2 | 85% | 0.848 | 72% | 0.717 | S | S | * | * | trans | -73.1 | 111.4 | 168.7 | -177.9 | 71.3 | 0 | 0 | 0 | 108.6 | ||||
| 349 | E | 36.2 | Very low | 42.6 | Very low | 195 Ų | 195 | 114.3 Ų | 114.3 | 91% | 0.911 | 71% | 0.705 | S | S | * | * | trans | -102.6 | 128.8 | 152.2 | -82.5 | -158.7 | 154 | 0 | 0 | 108.3 | G347 | G347-E349 PolarHBondContact O-N 3.43Š| ||
| 350 | E | 38.3 | Very low | 41.5 | Very low | 144 Ų | 144 | 114.6 Ų | 114.6 | 67% | 0.673 | 71% | 0.707 | S | S | * | * | trans | -110.8 | 149.9 | 171.1 | -123.5 | -91.5 | 127.7 | 0 | 0 | 106.5 | A352 | E350-A352 VanDerWaalsContact CD-N 3.28Å; E350-A352 PolarHBondContact OE1-N 3.37Å; E350-A352 VanDerWaalsContact OE1-N 3.11Å; E350-A352 PolarHBondContact OE2-N 3Å | ||
| 351 | P | 42.5 | Very low | 41 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | -149.5 | 148.7 | 86.5 | 35 | -15.3 | 0 | 0 | 0 | 118 | |||||
| 352 | A | 36.2 | Very low | 40.9 | Very low | 77 Ų | 77 | 118.2 Ų | 118.2 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | trans | 73.6 | 111.6 | 141.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | E350 | E350-A352 VanDerWaalsContact CD-N 3.28Å; E350-A352 PolarHBondContact OE1-N 3.37Å; E350-A352 VanDerWaalsContact OE1-N 3.11Å; E350-A352 PolarHBondContact OE2-N 3Å | ||
| 353 | D | 30.4 | Very low | 40.7 | Very low | 166 Ų | 166 | 120 Ų | 120 | 89% | 0.888 | 72% | 0.716 | S | S | * | * | 171.2 | 143 | 92.4 | -159.8 | 6.6 | 0 | 0 | 0 | 110.6 | |||||
| 354 | G | 39.1 | Very low | 40.7 | Very low | 67 Ų | 67 | 116.3 Ų | 116.3 | 69% | 0.691 | 70% | 0.7 | S | S | * | * | trans | 88.8 | 113.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 355 | A | 34 | Very low | 41 | Very low | 100 Ų | 100 | 116.5 Ų | 116.5 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | trans | 78 | 114.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | P357 | A355-P357 WeakPolarHBondContact O-CD 3.49Š| ||
| 356 | L | 50.8 | Low | 41.3 | Very low | 169 Ų | 169 | 114.5 Ų | 114.5 | 89% | 0.885 | 69% | 0.69 | S | S | * | * | trans | -71.9 | 124.6 | 176 | -157.2 | 148.8 | 0 | 0 | 0 | 111 | ||||
| 357 | P | 42.3 | Very low | 42.1 | Very low | 74 Ų | 74 | 113.8 Ų | 113.8 | 48% | 0.481 | 68% | 0.679 | S | S | . | * | trans | -112.4 | 150.6 | 170.5 | 24.2 | -5.5 | 0 | 0 | 0 | 112.4 | A355 S359 L360 | A355-P357 WeakPolarHBondContact O-CD 3.49Å; P357-S359 PolarHBondContact O-N 3.34Å; P357-L360 PolarHBondContact O-N 3.09Å | ||
| 358 | S | 41.4 | Very low | 43.4 | Very low | 118 Ų | 118 | 116.2 Ų | 116.2 | 83% | 0.825 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 7.6 | 177.4 | -47.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 359 | S | 42.3 | Very low | 44.7 | Very low | 62 Ų | 62 | 111 Ų | 111 | 43% | 0.434 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -78.5 | -22.6 | 176.5 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | P357 L361 Q363 | P357-S359 PolarHBondContact O-N 3.34Å; S359-L361 VanDerWaalsContact C-N 3.32Å; S359-L361 PolarHBondContact O-N 3.02Å; S359-Q363 WeakPolarHBondContact O-CB 2.9Å; S359-Q363 PolarHBondContact O-N 3.48Å |
| 360 | L | 40.3 | Very low | 45.8 | Very low | 119 Ų | 119 | 107 Ų | 107 | 62% | 0.623 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -70 | -26.4 | -178.3 | -108 | 168.8 | 0 | 0 | 0 | 113.6 | P357 G364 | P357-L360 PolarHBondContact O-N 3.09Å; L360-G364 PolarHBondContact O-N 3.43Å |
| 361 | L | 44.5 | Very low | 46.8 | Very low | 147 Ų | 147 | 102.7 Ų | 102.7 | 77% | 0.77 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -78.9 | -37.9 | 179.9 | -157.2 | 152.3 | 0 | 0 | 0 | 111.3 | S359 S365 | S359-L361 VanDerWaalsContact C-N 3.32Å; S359-L361 PolarHBondContact O-N 3.02Å; L361-S365 PolarHBondContact O-N 3.42Å |
| 362 | E | 47.3 | Very low | 48 | Very low | 150 Ų | 150 | 101 Ų | 101 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67 | -40.6 | 169.2 | -79.4 | -158.3 | 148.3 | 0 | 0 | 111.4 | G364 S365 M366 | E362-G364 PolarHBondContact O-N 2.99Å; E362-S365 PolarHBondContact O-N 2.93Å; E362-S365 PolarHBondContact O-OG 3.28Å; E362-M366 WeakPolarHBondContact O-CB 2.97Å; E362-M366 PolarHBondContact O-N 3.43Å |
| 363 | Q | 44.6 | Very low | 49.2 | Very low | 110 Ų | 110 | 101.4 Ų | 101.4 | 51% | 0.514 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.8 | -38.2 | 176.9 | -167.1 | 163.3 | -2.7 | 0 | 0 | 112 | S359 M366 I367 | S359-Q363 WeakPolarHBondContact O-CB 2.9Å; S359-Q363 PolarHBondContact O-N 3.48Å; Q363-M366 PolarHBondContact O-N 2.98Å; Q363-I367 HydrophobicContact CG-CD1 4.01Å; Q363-I367 WeakPolarHBondContact O-CB 3.11Å; Q363-I367 WeakPolarHBondContact O-CD1 3.41Å; Q363-I367 WeakPolarHBondContact O-CG1 3.47Å; Q363-I367 PolarHBondContact O-N 3.05Å |
| 364 | G | 47.3 | Very low | 50.5 | Low | 35 Ų | 35 | 99.3 Ų | 99.3 | 36% | 0.361 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.5 | -40.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L360 E362 M366 I367 L368 | L360-G364 PolarHBondContact O-N 3.43Å; E362-G364 PolarHBondContact O-N 2.99Å; G364-M366 VanDerWaalsContact C-N 3.32Å; G364-M366 PolarHBondContact O-N 3.27Å; G364-I367 PolarHBondContact O-N 3.46Å; G364-L368 WeakPolarHBondContact O-CB 3.29Å; G364-L368 PolarHBondContact O-N 2.93Å |
| 365 | S | 52.7 | Low | 51.6 | Low | 72 Ų | 72 | 102.5 Ų | 102.5 | 50% | 0.503 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.3 | -35.3 | 174.8 | 81 | 0 | 0 | 0 | 0 | 112.5 | L361 E362 A369 | L361-S365 PolarHBondContact O-N 3.42Å; E362-S365 PolarHBondContact O-N 2.93Å; E362-S365 PolarHBondContact O-OG 3.28Å; S365-A369 WeakPolarHBondContact O-CB 3.19Å; S365-A369 PolarHBondContact O-N 3.46Å |
| 366 | M | 52.2 | Low | 52.9 | Low | 128 Ų | 128 | 105.6 Ų | 105.6 | 63% | 0.631 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74 | -39 | 178.7 | -162.5 | -178.7 | -139.5 | 0 | 0 | 111.5 | E362 Q363 G364 L368 A369 L370 | E362-M366 WeakPolarHBondContact O-CB 2.97Å; E362-M366 PolarHBondContact O-N 3.43Å; Q363-M366 PolarHBondContact O-N 2.98Å; G364-M366 VanDerWaalsContact C-N 3.32Å; G364-M366 PolarHBondContact O-N 3.27Å; M366-L368 VanDerWaalsContact C-N 3.34Å; M366-A369 PolarHBondContact O-N 3.32Å; M366-L370 HydrophobicContact CG-CD1 4.24Å; M366-L370 WeakPolarHBondContact O-CB 3.31Å; M366-L370 WeakPolarHBondContact O-CD1 3.22Å; M366-L370 PolarHBondContact O-N 2.94Å |
| 367 | I | 56.8 | Low | 52.9 | Low | 104 Ų | 104 | 102.6 Ų | 102.6 | 53% | 0.533 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.3 | -39.8 | 174.1 | -70.6 | 164.6 | 0 | 0 | 0 | 110.5 | Q363 G364 L370 S371 | Q363-I367 HydrophobicContact CG-CD1 4.01Å; Q363-I367 WeakPolarHBondContact O-CB 3.11Å; Q363-I367 WeakPolarHBondContact O-CD1 3.41Å; Q363-I367 WeakPolarHBondContact O-CG1 3.47Å; Q363-I367 PolarHBondContact O-N 3.05Å; G364-I367 PolarHBondContact O-N 3.46Å; I367-L370 PolarHBondContact O-N 3.46Å; I367-S371 PolarHBondContact O-N 3.04Å |
| 368 | L | 60 | Low | 53.3 | Low | 124 Ų | 124 | 105 Ų | 105 | 65% | 0.649 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.1 | -39.3 | 177.7 | -146.1 | 149.4 | 0 | 0 | 0 | 111.2 | G364 M366 S371 D372 | G364-L368 WeakPolarHBondContact O-CB 3.29Å; G364-L368 PolarHBondContact O-N 2.93Å; M366-L368 VanDerWaalsContact C-N 3.34Å; L368-S371 PolarHBondContact O-N 2.93Å; L368-S371 PolarHBondContact O-OG 3.34Å; L368-D372 PolarHBondContact O-N 3.42Å |
| 369 | A | 60.4 | Low | 54 | Low | 53 Ų | 53 | 102 Ų | 102 | 44% | 0.438 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -38.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S365 M366 D372 V373 | S365-A369 WeakPolarHBondContact O-CB 3.19Å; S365-A369 PolarHBondContact O-N 3.46Å; M366-A369 PolarHBondContact O-N 3.32Å; A369-D372 PolarHBondContact O-N 2.83Å; A369-V373 WeakPolarHBondContact O-CB 3.43Å; A369-V373 WeakPolarHBondContact O-CG2 3.45Å; A369-V373 PolarHBondContact O-N 3.06Å |
| 370 | L | 58.3 | Low | 54.4 | Low | 111 Ų | 111 | 105.4 Ų | 105.4 | 58% | 0.581 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.2 | -40.5 | 172.9 | -93.1 | 148.8 | 0 | 0 | 0 | 111.3 | M366 I367 V373 E374 | M366-L370 HydrophobicContact CG-CD1 4.24Å; M366-L370 WeakPolarHBondContact O-CB 3.31Å; M366-L370 WeakPolarHBondContact O-CD1 3.22Å; M366-L370 PolarHBondContact O-N 2.94Å; I367-L370 PolarHBondContact O-N 3.46Å; L370-V373 PolarHBondContact O-N 2.86Å; L370-E374 VanDerWaalsContact O-CB 3.3Å; L370-E374 WeakPolarHBondContact O-CB 3.39Å; L370-E374 PolarHBondContact O-N 3.46Å |
| 371 | S | 60.4 | Low | 54.9 | Low | 54 Ų | 54 | 104 Ų | 104 | 38% | 0.378 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.1 | -35.8 | 175.9 | 83.7 | 0 | 0 | 0 | 0 | 112.8 | I367 L368 E374 Q375 | I367-S371 PolarHBondContact O-N 3.04Å; L368-S371 PolarHBondContact O-N 2.93Å; L368-S371 PolarHBondContact O-OG 3.34Å; S371-E374 PolarHBondContact O-N 3.21Å; S371-Q375 VanDerWaalsContact O-CB 3.26Å; S371-Q375 WeakPolarHBondContact O-CB 3.44Å; S371-Q375 PolarHBondContact O-N 3.12Å |
| 372 | D | 66.7 | Low | 55.4 | Low | 81 Ų | 81 | 101.6 Ų | 101.6 | 43% | 0.433 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 174.6 | -179 | 71 | 0 | 0 | 0 | 111.2 | L368 A369 Q375 R376 | L368-D372 PolarHBondContact O-N 3.42Å; A369-D372 PolarHBondContact O-N 2.83Å; D372-Q375 PolarHBondContact O-N 3.5Å; D372-R376 WeakPolarHBondContact O-CB 3.39Å; D372-R376 VanDerWaalsContact O-CG 3.26Å; D372-R376 WeakPolarHBondContact O-CG 3.44Å; D372-R376 PolarHBondContact O-N 2.84Å |
| 373 | V | 62.3 | Low | 55.9 | Low | 85 Ų | 85 | 102.6 Ų | 102.6 | 52% | 0.515 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.5 | -41.1 | 175.4 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | A369 L370 R376 L377 | A369-V373 WeakPolarHBondContact O-CB 3.43Å; A369-V373 WeakPolarHBondContact O-CG2 3.45Å; A369-V373 PolarHBondContact O-N 3.06Å; L370-V373 PolarHBondContact O-N 2.86Å; V373-R376 PolarHBondContact O-N 2.98Å; V373-L377 VanDerWaalsContact O-CB 3.28Å; V373-L377 WeakPolarHBondContact O-CB 3.48Å; V373-L377 PolarHBondContact O-N 3.49Å |
| 374 | E | 56.5 | Low | 56.2 | Low | 123 Ų | 123 | 101.7 Ų | 101.7 | 58% | 0.575 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.6 | -46.3 | 175.3 | -175.4 | 173.3 | -168.1 | 0 | 0 | 111.1 | L370 S371 R376 L377 E378 | L370-E374 VanDerWaalsContact O-CB 3.3Å; L370-E374 WeakPolarHBondContact O-CB 3.39Å; L370-E374 PolarHBondContact O-N 3.46Å; S371-E374 PolarHBondContact O-N 3.21Å; E374-R376 VanDerWaalsContact C-N 3.33Å; E374-R376 PolarHBondContact O-N 3.49Å; E374-L377 CarbonylContact O-C 3.56Å; E374-L377 WeakPolarHBondContact O-CB 3.46Å; E374-L377 PolarHBondContact O-N 2.83Å; E374-L377 VanDerWaalsContact O-N 3.13Å; E374-E378 WeakPolarHBondContact O-CG 3.27Å; E374-E378 PolarHBondContact O-N 2.85Å |
| 375 | Q | 63 | Low | 56.5 | Low | 134 Ų | 134 | 103 Ų | 103 | 63% | 0.626 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.8 | -34.3 | 178.8 | -165.8 | 169.3 | 7.6 | 0 | 0 | 112.3 | S371 D372 A379 | S371-Q375 VanDerWaalsContact O-CB 3.26Å; S371-Q375 WeakPolarHBondContact O-CB 3.44Å; S371-Q375 PolarHBondContact O-N 3.12Å; D372-Q375 PolarHBondContact O-N 3.5Å; Q375-A379 VanDerWaalsContact O-CB 3.32Å; Q375-A379 WeakPolarHBondContact O-CB 3.5Å; Q375-A379 PolarHBondContact O-N 2.88Å |
| 376 | R | 61.4 | Low | 56.7 | Low | 164 Ų | 164 | 103.4 Ų | 103.4 | 62% | 0.619 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.5 | -38.4 | 171.2 | -75.1 | 178.6 | 72.5 | -166.3 | 1.1 | 112 | D372 V373 E374 A379 Q380 | D372-R376 WeakPolarHBondContact O-CB 3.39Å; D372-R376 VanDerWaalsContact O-CG 3.26Å; D372-R376 WeakPolarHBondContact O-CG 3.44Å; D372-R376 PolarHBondContact O-N 2.84Å; V373-R376 PolarHBondContact O-N 2.98Å; E374-R376 VanDerWaalsContact C-N 3.33Å; E374-R376 PolarHBondContact O-N 3.49Å; R376-A379 PolarHBondContact O-N 3.09Å; R376-Q380 WeakPolarHBondContact O-CB 3.47Å; R376-Q380 PolarHBondContact O-N 3.27Å |
| 377 | L | 50.3 | Low | 56.6 | Low | 106 Ų | 106 | 104.4 Ų | 104.4 | 56% | 0.555 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.5 | -42.5 | 177.2 | -158.8 | 73.5 | 0 | 0 | 0 | 110.7 | V373 E374 Q380 V381 | V373-L377 VanDerWaalsContact O-CB 3.28Å; V373-L377 WeakPolarHBondContact O-CB 3.48Å; V373-L377 PolarHBondContact O-N 3.49Å; E374-L377 CarbonylContact O-C 3.56Å; E374-L377 WeakPolarHBondContact O-CB 3.46Å; E374-L377 PolarHBondContact O-N 2.83Å; E374-L377 VanDerWaalsContact O-N 3.13Å; L377-Q380 PolarHBondContact O-N 3.17Å; L377-V381 VanDerWaalsContact O-CB 3.32Å; L377-V381 WeakPolarHBondContact O-CB 3.34Å; L377-V381 VanDerWaalsContact O-CG2 3.22Å; L377-V381 WeakPolarHBondContact O-CG2 3.32Å; L377-V381 PolarHBondContact O-N 3.06Å |
| 378 | E | 51.2 | Low | 56.4 | Low | 126 Ų | 126 | 102.7 Ų | 102.7 | 59% | 0.589 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.4 | -44.4 | 173.3 | -76.1 | -167.5 | 153.5 | 0 | 0 | 111.7 | E374 Q380 V381 N382 | E374-E378 WeakPolarHBondContact O-CG 3.27Å; E374-E378 PolarHBondContact O-N 2.85Å; E378-Q380 VanDerWaalsContact C-N 3.29Å; E378-Q380 PolarHBondContact O-N 3.03Å; E378-V381 PolarHBondContact O-N 3.43Å; E378-N382 WeakPolarHBondContact O-CB 3.36Å; E378-N382 PolarHBondContact O-N 3.11Å |
| 379 | A | 54.7 | Low | 56.6 | Low | 55 Ų | 55 | 100.9 Ų | 100.9 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q375 R376 R383 | Q375-A379 VanDerWaalsContact O-CB 3.32Å; Q375-A379 WeakPolarHBondContact O-CB 3.5Å; Q375-A379 PolarHBondContact O-N 2.88Å; R376-A379 PolarHBondContact O-N 3.09Å; A379-R383 WeakPolarHBondContact O-CB 3.34Å; A379-R383 WeakPolarHBondContact O-CG 3.46Å; A379-R383 PolarHBondContact O-N 3.24Å |
| 380 | Q | 51.2 | Low | 56.5 | Low | 132 Ų | 132 | 103.2 Ų | 103.2 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -77.4 | -38.5 | 179.5 | -165.9 | 168.7 | -48.7 | 0 | 0 | 112.2 | R376 L377 E378 N384 | R376-Q380 WeakPolarHBondContact O-CB 3.47Å; R376-Q380 PolarHBondContact O-N 3.27Å; L377-Q380 PolarHBondContact O-N 3.17Å; E378-Q380 VanDerWaalsContact C-N 3.29Å; E378-Q380 PolarHBondContact O-N 3.03Å; Q380-N384 WeakPolarHBondContact O-CB 3.22Å; Q380-N384 PolarHBondContact O-N 3.5Å |
| 381 | V | 51 | Low | 56.8 | Low | 90 Ų | 90 | 102.4 Ų | 102.4 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.4 | -42.1 | 173.5 | 168.8 | 0 | 0 | 0 | 0 | 110.7 | L377 E378 N384 S385 | L377-V381 VanDerWaalsContact O-CB 3.32Å; L377-V381 WeakPolarHBondContact O-CB 3.34Å; L377-V381 VanDerWaalsContact O-CG2 3.22Å; L377-V381 WeakPolarHBondContact O-CG2 3.32Å; L377-V381 PolarHBondContact O-N 3.06Å; E378-V381 PolarHBondContact O-N 3.43Å; V381-N384 PolarHBondContact O-N 3.25Å; V381-S385 WeakPolarHBondContact O-CB 3.19Å; V381-S385 PolarHBondContact O-N 3.14Å |
| 382 | N | 55.4 | Low | 56.9 | Low | 96 Ų | 96 | 103.8 Ų | 103.8 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 176.1 | -168.9 | 9.4 | 0 | 0 | 0 | 110.8 | E378 S385 I386 | E378-N382 WeakPolarHBondContact O-CB 3.36Å; E378-N382 PolarHBondContact O-N 3.11Å; N382-S385 PolarHBondContact O-N 3.43Å; N382-I386 WeakPolarHBondContact O-CB 3.46Å; N382-I386 WeakPolarHBondContact O-CD1 3.13Å; N382-I386 WeakPolarHBondContact O-CG1 3.39Å; N382-I386 PolarHBondContact O-N 3.49Å; N382-I386 VanDerWaalsContact OD1-CD1 3.31Å; N382-I386 WeakPolarHBondContact OD1-CD1 3.46Å |
| 383 | R | 56.6 | Low | 56.5 | Low | 172 Ų | 172 | 103.5 Ų | 103.5 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -59.7 | -49.5 | 172.3 | -83.3 | 176.2 | 154.4 | 168.9 | -4.6 | 112.2 | A379 S385 I386 Y387 | A379-R383 WeakPolarHBondContact O-CB 3.34Å; A379-R383 WeakPolarHBondContact O-CG 3.46Å; A379-R383 PolarHBondContact O-N 3.24Å; R383-S385 VanDerWaalsContact C-N 3.31Å; R383-S385 PolarHBondContact O-N 3.37Å; R383-I386 PolarHBondContact O-N 3.35Å; R383-Y387 HydrophobicContact CB-CD2 4.46Å; R383-Y387 HydrophobicContact CB-CE2 4.21Å; R383-Y387 WeakPolarHBondContact O-CD2 3.43Å; R383-Y387 PolarHBondContact O-N 3.11Å |
| 384 | N | 50.7 | Low | 56.8 | Low | 90 Ų | 90 | 103.8 Ų | 103.8 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.6 | -35.1 | -178.8 | -159.6 | 34.5 | 0 | 0 | 0 | 112.5 | Q380 V381 S388 | Q380-N384 WeakPolarHBondContact O-CB 3.22Å; Q380-N384 PolarHBondContact O-N 3.5Å; V381-N384 PolarHBondContact O-N 3.25Å; N384-S388 VanDerWaalsContact O-CB 3.3Å; N384-S388 WeakPolarHBondContact O-CB 3.46Å; N384-S388 PolarHBondContact O-N 3.42Å |
| 385 | S | 54.8 | Low | 57.4 | Low | 63 Ų | 63 | 101 Ų | 101 | 44% | 0.441 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 172.5 | -179.4 | 0 | 0 | 0 | 0 | 112 | V381 N382 R383 S388 T389 | V381-S385 WeakPolarHBondContact O-CB 3.19Å; V381-S385 PolarHBondContact O-N 3.14Å; N382-S385 PolarHBondContact O-N 3.43Å; R383-S385 VanDerWaalsContact C-N 3.31Å; R383-S385 PolarHBondContact O-N 3.37Å; S385-S388 PolarHBondContact O-N 2.78Å; S385-T389 VanDerWaalsContact O-CB 3.31Å; S385-T389 WeakPolarHBondContact O-CB 3.36Å; S385-T389 PolarHBondContact O-N 3.32Å; S385-T389 PolarHBondContact O-OG1 3.01Å |
| 386 | I | 56.3 | Low | 57.5 | Low | 80 Ų | 80 | 100.7 Ų | 100.7 | 41% | 0.41 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 175.5 | -69.8 | 163.5 | 0 | 0 | 0 | 110.2 | N382 R383 T389 L390 | N382-I386 WeakPolarHBondContact O-CB 3.46Å; N382-I386 WeakPolarHBondContact O-CD1 3.13Å; N382-I386 WeakPolarHBondContact O-CG1 3.39Å; N382-I386 PolarHBondContact O-N 3.49Å; N382-I386 VanDerWaalsContact OD1-CD1 3.31Å; N382-I386 WeakPolarHBondContact OD1-CD1 3.46Å; R383-I386 PolarHBondContact O-N 3.35Å; I386-T389 PolarHBondContact O-N 3.06Å; I386-L390 HydrophobicContact CG2-CD1 3.86Å; I386-L390 VanDerWaalsContact O-CB 3.31Å; I386-L390 WeakPolarHBondContact O-CB 3.35Å; I386-L390 PolarHBondContact O-N 3.34Å |
| 387 | Y | 51.6 | Low | 57.8 | Low | 149 Ų | 149 | 99 Ų | 99 | 58% | 0.584 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 176.7 | -72.7 | -65.6 | 0 | 0 | 0 | 112.2 | R383 T389 L390 V391 | R383-Y387 HydrophobicContact CB-CD2 4.46Å; R383-Y387 HydrophobicContact CB-CE2 4.21Å; R383-Y387 WeakPolarHBondContact O-CD2 3.43Å; R383-Y387 PolarHBondContact O-N 3.11Å; Y387-T389 PolarHBondContact O-N 3.4Å; Y387-L390 PolarHBondContact O-N 2.78Å; Y387-V391 WeakPolarHBondContact O-CB 3.08Å; Y387-V391 WeakPolarHBondContact O-CG2 3.41Å; Y387-V391 PolarHBondContact O-N 3.39Å |
| 388 | S | 52.4 | Low | 58.6 | Low | 69 Ų | 69 | 96.8 Ų | 96.8 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 174.9 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | N384 S385 V391 T392 | N384-S388 VanDerWaalsContact O-CB 3.3Å; N384-S388 WeakPolarHBondContact O-CB 3.46Å; N384-S388 PolarHBondContact O-N 3.42Å; S385-S388 PolarHBondContact O-N 2.78Å; S388-V391 PolarHBondContact O-N 3.13Å; S388-T392 WeakPolarHBondContact O-CB 3.49Å; S388-T392 PolarHBondContact O-N 3.49Å; S388-T392 PolarHBondContact O-OG1 2.81Å |
| 389 | T | 62.7 | Low | 59.4 | Low | 86 Ų | 86 | 93.6 Ų | 93.6 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 178 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | S385 I386 Y387 T392 C393 | S385-T389 VanDerWaalsContact O-CB 3.31Å; S385-T389 WeakPolarHBondContact O-CB 3.36Å; S385-T389 PolarHBondContact O-N 3.32Å; S385-T389 PolarHBondContact O-OG1 3.01Å; I386-T389 PolarHBondContact O-N 3.06Å; Y387-T389 PolarHBondContact O-N 3.4Å; T389-T392 PolarHBondContact O-N 2.82Å; T389-C393 WeakPolarHBondContact O-CB 3.38Å; T389-C393 PolarHBondContact O-N 3.04Å |
| 390 | L | 58.9 | Low | 59.4 | Low | 101 Ų | 101 | 95 Ų | 95 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -45 | 175.5 | -118.6 | 123.3 | 0 | 0 | 0 | 111.5 | I386 Y387 T392 C393 V394 | I386-L390 HydrophobicContact CG2-CD1 3.86Å; I386-L390 VanDerWaalsContact O-CB 3.31Å; I386-L390 WeakPolarHBondContact O-CB 3.35Å; I386-L390 PolarHBondContact O-N 3.34Å; Y387-L390 PolarHBondContact O-N 2.78Å; L390-T392 VanDerWaalsContact C-N 3.32Å; L390-T392 PolarHBondContact O-N 2.82Å; L390-C393 PolarHBondContact O-N 2.86Å; L390-V394 VanDerWaalsContact O-CB 3.3Å; L390-V394 WeakPolarHBondContact O-CB 3.48Å; L390-V394 WeakPolarHBondContact O-CG2 3.34Å; L390-V394 PolarHBondContact O-N 3.08Å |
| 391 | V | 64.6 | Low | 59.7 | Low | 94 Ų | 94 | 92 Ų | 92 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 177.3 | 168.8 | 0 | 0 | 0 | 0 | 110.2 | Y387 S388 T395 | Y387-V391 WeakPolarHBondContact O-CB 3.08Å; Y387-V391 WeakPolarHBondContact O-CG2 3.41Å; Y387-V391 PolarHBondContact O-N 3.39Å; S388-V391 PolarHBondContact O-N 3.13Å; V391-T395 VanDerWaalsContact O-CB 3.27Å; V391-T395 WeakPolarHBondContact O-CB 3.22Å; V391-T395 PolarHBondContact O-N 3.23Å; V391-T395 PolarHBondContact O-OG1 3.37Å |
| 392 | T | 62.1 | Low | 60.2 | Low | 83 Ų | 83 | 91.8 Ų | 91.8 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 177.7 | -44.7 | 0 | 0 | 0 | 0 | 111.2 | S388 T389 L390 T395 F396 | S388-T392 WeakPolarHBondContact O-CB 3.49Å; S388-T392 PolarHBondContact O-N 3.49Å; S388-T392 PolarHBondContact O-OG1 2.81Å; T389-T392 PolarHBondContact O-N 2.82Å; L390-T392 VanDerWaalsContact C-N 3.32Å; L390-T392 PolarHBondContact O-N 2.82Å; T392-T395 PolarHBondContact O-N 2.81Å; T392-F396 WeakPolarHBondContact O-CB 3.38Å; T392-F396 PolarHBondContact O-N 2.75Å |
| 393 | C | 58.4 | Low | 60.3 | Low | 76 Ų | 76 | 91.6 Ų | 91.6 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 179.1 | -155.4 | 0 | 0 | 0 | 0 | 112 | T389 L390 T395 F396 M397 | T389-C393 WeakPolarHBondContact O-CB 3.38Å; T389-C393 PolarHBondContact O-N 3.04Å; L390-C393 PolarHBondContact O-N 2.86Å; C393-T395 VanDerWaalsContact C-N 3.35Å; C393-F396 PolarHBondContact O-N 3.44Å; C393-M397 WeakPolarHBondContact O-CB 3.49Å; C393-M397 VanDerWaalsContact O-CG 3.23Å; C393-M397 WeakPolarHBondContact O-CG 3.17Å; C393-M397 PolarHBondContact O-N 2.84Å |
| 394 | V | 68.4 | Low | 60.5 | Low | 91 Ų | 91 | 90.2 Ų | 90.2 | 55% | 0.552 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -40.5 | 173.6 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L390 F396 M397 A398 | L390-V394 VanDerWaalsContact O-CB 3.3Å; L390-V394 WeakPolarHBondContact O-CB 3.48Å; L390-V394 WeakPolarHBondContact O-CG2 3.34Å; L390-V394 PolarHBondContact O-N 3.08Å; V394-F396 VanDerWaalsContact C-N 3.35Å; V394-M397 PolarHBondContact O-N 3.05Å; V394-A398 WeakPolarHBondContact O-CB 3.39Å; V394-A398 PolarHBondContact O-N 3.36Å |
| 395 | T | 70.2 | Confident | 60.9 | Low | 63 Ų | 63 | 91.5 Ų | 91.5 | 39% | 0.387 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -39.7 | 175.4 | -56 | 0 | 0 | 0 | 0 | 111.1 | V391 T392 C393 A398 T399 | V391-T395 VanDerWaalsContact O-CB 3.27Å; V391-T395 WeakPolarHBondContact O-CB 3.22Å; V391-T395 PolarHBondContact O-N 3.23Å; V391-T395 PolarHBondContact O-OG1 3.37Å; T392-T395 PolarHBondContact O-N 2.81Å; C393-T395 VanDerWaalsContact C-N 3.35Å; T395-A398 PolarHBondContact O-N 3.42Å; T395-T399 HydrophobicContact CG2-CG2 4.43Å; T395-T399 WeakPolarHBondContact O-CB 3.09Å; T395-T399 WeakPolarHBondContact O-CG2 3.46Å; T395-T399 PolarHBondContact O-N 3.33Å; T395-T399 PolarHBondContact O-OG1 2.93Å |
| 396 | F | 65.1 | Low | 61 | Low | 128 Ų | 128 | 94 Ų | 94 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.4 | -42.2 | 176.1 | -154.1 | -104.5 | 0 | 0 | 0 | 112.2 | T392 C393 V394 A398 T399 L400 | T392-F396 WeakPolarHBondContact O-CB 3.38Å; T392-F396 PolarHBondContact O-N 2.75Å; C393-F396 PolarHBondContact O-N 3.44Å; V394-F396 VanDerWaalsContact C-N 3.35Å; F396-A398 VanDerWaalsContact C-N 3.3Å; F396-A398 PolarHBondContact O-N 2.95Å; F396-T399 WeakPolarHBondContact CA-OG1 3.42Å; F396-T399 PolarHBondContact O-N 3.41Å; F396-T399 PolarHBondContact O-OG1 2.75Å; F396-T399 VanDerWaalsContact O-OG1 3.11Å; F396-L400 HydrophobicContact CD1-CD1 3.43Å; F396-L400 VanDerWaalsContact CD1-CD1 3.43Å; F396-L400 HydrophobicContact CD1-CG 4.06Å; F396-L400 HydrophobicContact CE1-CD1 3.47Å; F396-L400 VanDerWaalsContact CE1-CD1 3.47Å; F396-L400 HydrophobicContact CE1-CD2 4.4Å; F396-L400 HydrophobicContact CE1-CG 3.98Å; F396-L400 HydrophobicContact CG-CD1 4.43Å; F396-L400 HydrophobicContact CZ-CD1 4.47Å; F396-L400 WeakPolarHBondContact O-CB 3.46Å; F396-L400 WeakPolarHBondContact O-CG 3.31Å; F396-L400 PolarHBondContact O-N 2.8Å |
| 397 | M | 67.3 | Low | 60.7 | Low | 128 Ų | 128 | 96.3 Ų | 96.3 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.9 | -25.3 | 176.7 | -71 | -63.7 | -72.3 | 0 | 0 | 113.3 | C393 V394 P401 | C393-M397 WeakPolarHBondContact O-CB 3.49Å; C393-M397 VanDerWaalsContact O-CG 3.23Å; C393-M397 WeakPolarHBondContact O-CG 3.17Å; C393-M397 PolarHBondContact O-N 2.84Å; V394-M397 PolarHBondContact O-N 3.05Å; M397-P401 WeakPolarHBondContact O-CD 3.11Å; M397-P401 WeakPolarHBondContact O-CG 3.18Å |
| 398 | A | 67.8 | Low | 60.4 | Low | 60 Ų | 60 | 95.9 Ų | 95.9 | 50% | 0.496 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -83.8 | -31.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V394 T395 F396 V402 | V394-A398 WeakPolarHBondContact O-CB 3.39Å; V394-A398 PolarHBondContact O-N 3.36Å; T395-A398 PolarHBondContact O-N 3.42Å; F396-A398 VanDerWaalsContact C-N 3.3Å; F396-A398 PolarHBondContact O-N 2.95Å; A398-V402 WeakPolarHBondContact O-CG2 3.22Å |
| 399 | T | 67.6 | Low | 59.9 | Low | 60 Ų | 60 | 98.1 Ų | 98.1 | 37% | 0.368 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -83.5 | -32.6 | -178.6 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | T395 F396 V402 L403 | T395-T399 HydrophobicContact CG2-CG2 4.43Å; T395-T399 WeakPolarHBondContact O-CB 3.09Å; T395-T399 WeakPolarHBondContact O-CG2 3.46Å; T395-T399 PolarHBondContact O-N 3.33Å; T395-T399 PolarHBondContact O-OG1 2.93Å; F396-T399 WeakPolarHBondContact CA-OG1 3.42Å; F396-T399 PolarHBondContact O-N 3.41Å; F396-T399 PolarHBondContact O-OG1 2.75Å; F396-T399 VanDerWaalsContact O-OG1 3.11Å; T399-V402 PolarHBondContact O-N 2.69Å; T399-L403 WeakPolarHBondContact O-CD1 3.3Å; T399-L403 PolarHBondContact O-N 3.49Å |
| 400 | L | 55 | Low | 58.8 | Low | 84 Ų | 84 | 101.3 Ų | 101.3 | 44% | 0.44 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.9 | -45.6 | 177.2 | -88.3 | 167.9 | 0 | 0 | 0 | 114.3 | F396 V402 L403 Y404 | F396-L400 HydrophobicContact CD1-CD1 3.43Å; F396-L400 VanDerWaalsContact CD1-CD1 3.43Å; F396-L400 HydrophobicContact CD1-CG 4.06Å; F396-L400 HydrophobicContact CE1-CD1 3.47Å; F396-L400 VanDerWaalsContact CE1-CD1 3.47Å; F396-L400 HydrophobicContact CE1-CD2 4.4Å; F396-L400 HydrophobicContact CE1-CG 3.98Å; F396-L400 HydrophobicContact CG-CD1 4.43Å; F396-L400 HydrophobicContact CZ-CD1 4.47Å; F396-L400 WeakPolarHBondContact O-CB 3.46Å; F396-L400 WeakPolarHBondContact O-CG 3.31Å; F396-L400 PolarHBondContact O-N 2.8Å; L400-V402 VanDerWaalsContact C-N 3.35Å; L400-L403 PolarHBondContact O-N 3.3Å; L400-Y404 VanDerWaalsContact O-CB 3.23Å; L400-Y404 WeakPolarHBondContact O-CB 3.5Å; L400-Y404 PolarHBondContact O-N 2.94Å |
| 401 | P | 57.3 | Low | 58.8 | Low | 68 Ų | 68 | 101.3 Ų | 101.3 | 44% | 0.442 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.5 | -33.1 | 177.4 | -20.6 | 32.5 | 0 | 0 | 0 | 112.9 | M397 Y404 M405 | M397-P401 WeakPolarHBondContact O-CD 3.11Å; M397-P401 WeakPolarHBondContact O-CG 3.18Å; P401-Y404 PolarHBondContact O-N 2.73Å; P401-M405 WeakPolarHBondContact O-CB 3.1Å; P401-M405 VanDerWaalsContact O-CG 3.29Å; P401-M405 WeakPolarHBondContact O-CG 3.13Å; P401-M405 PolarHBondContact O-N 3.15Å |
| 402 | V | 60.4 | Low | 58.5 | Low | 86 Ų | 86 | 101.7 Ų | 101.7 | 52% | 0.521 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -70.4 | -43.8 | 177.1 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | A398 T399 L400 L406 | A398-V402 WeakPolarHBondContact O-CG2 3.22Å; T399-V402 PolarHBondContact O-N 2.69Å; L400-V402 VanDerWaalsContact C-N 3.35Å; V402-L406 HydrophobicContact CG1-CD1 4.08Å; V402-L406 WeakPolarHBondContact O-CB 3.48Å; V402-L406 WeakPolarHBondContact O-CD1 3.2Å; V402-L406 VanDerWaalsContact O-CG 3.25Å; V402-L406 WeakPolarHBondContact O-CG 3.17Å; V402-L406 PolarHBondContact O-N 3.15Å |
| 403 | L | 59 | Low | 58.3 | Low | 93 Ų | 93 | 102.7 Ų | 102.7 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.2 | -45.7 | 170 | -99.9 | 91.5 | 0 | 0 | 0 | 111.3 | T399 L400 M405 L406 F407 | T399-L403 WeakPolarHBondContact O-CD1 3.3Å; T399-L403 PolarHBondContact O-N 3.49Å; L400-L403 PolarHBondContact O-N 3.3Å; L403-M405 PolarHBondContact O-N 3.38Å; L403-L406 PolarHBondContact O-N 2.7Å; L403-F407 HydrophobicContact CB-CD2 4.49Å; L403-F407 HydrophobicContact CD2-CE2 4.08Å; L403-F407 WeakPolarHBondContact O-CB 3.24Å; L403-F407 WeakPolarHBondContact O-CD2 3.45Å; L403-F407 PolarHBondContact O-N 3.46Å |
| 404 | Y | 59.4 | Low | 58.3 | Low | 143 Ų | 143 | 104.3 Ų | 104.3 | 56% | 0.561 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.8 | -40.7 | -179.2 | -179.7 | -99 | 0 | 0 | 0 | 112.4 | L400 P401 F407 K408 | L400-Y404 VanDerWaalsContact O-CB 3.23Å; L400-Y404 WeakPolarHBondContact O-CB 3.5Å; L400-Y404 PolarHBondContact O-N 2.94Å; P401-Y404 PolarHBondContact O-N 2.73Å; Y404-F407 PolarHBondContact O-N 3.04Å; Y404-K408 HydrophobicContact CE1-CD 3.84Å; Y404-K408 WeakPolarHBondContact O-CB 3.44Å; Y404-K408 PolarHBondContact O-N 2.95Å |
| 405 | M | 60.7 | Low | 57.7 | Low | 117 Ų | 117 | 105.1 Ų | 105.1 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.4 | -43.1 | 174 | -74.7 | -68 | -174.5 | 0 | 0 | 111.5 | P401 L403 F407 K408 T409 | P401-M405 WeakPolarHBondContact O-CB 3.1Å; P401-M405 VanDerWaalsContact O-CG 3.29Å; P401-M405 WeakPolarHBondContact O-CG 3.13Å; P401-M405 PolarHBondContact O-N 3.15Å; L403-M405 PolarHBondContact O-N 3.38Å; M405-F407 VanDerWaalsContact C-N 3.3Å; M405-F407 PolarHBondContact O-N 2.73Å; M405-K408 PolarHBondContact O-N 3.47Å; M405-K408 VanDerWaalsContact O-N 3.17Å; M405-T409 WeakPolarHBondContact O-CG2 3.21Å; M405-T409 PolarHBondContact O-N 2.75Å; M405-T409 PolarHBondContact O-OG1 3.02Å |
| 406 | L | 55 | Low | 56.9 | Low | 115 Ų | 115 | 107.9 Ų | 107.9 | 60% | 0.602 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.3 | -34.9 | 175.8 | -75.6 | 166.6 | 0 | 0 | 0 | 113 | V402 L403 | V402-L406 HydrophobicContact CG1-CD1 4.08Å; V402-L406 WeakPolarHBondContact O-CB 3.48Å; V402-L406 WeakPolarHBondContact O-CD1 3.2Å; V402-L406 VanDerWaalsContact O-CG 3.25Å; V402-L406 WeakPolarHBondContact O-CG 3.17Å; V402-L406 PolarHBondContact O-N 3.15Å; L403-L406 PolarHBondContact O-N 2.7Å |
| 407 | F | 51.2 | Low | 56.3 | Low | 129 Ų | 129 | 106.5 Ų | 106.5 | 57% | 0.566 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -79.8 | -22.5 | 175.1 | -83.8 | -69.5 | 0 | 0 | 0 | 113.8 | L403 Y404 M405 | L403-F407 HydrophobicContact CB-CD2 4.49Å; L403-F407 HydrophobicContact CD2-CE2 4.08Å; L403-F407 WeakPolarHBondContact O-CB 3.24Å; L403-F407 WeakPolarHBondContact O-CD2 3.45Å; L403-F407 PolarHBondContact O-N 3.46Å; Y404-F407 PolarHBondContact O-N 3.04Å; M405-F407 VanDerWaalsContact C-N 3.3Å; M405-F407 PolarHBondContact O-N 2.73Å |
| 408 | K | 44.6 | Very low | 55.4 | Low | 140 Ų | 140 | 104.8 Ų | 104.8 | 61% | 0.609 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -89.8 | -23.2 | -179.3 | -175.6 | 173.7 | 173.7 | 174.5 | 0 | 113.3 | Y404 M405 | Y404-K408 HydrophobicContact CE1-CD 3.84Å; Y404-K408 WeakPolarHBondContact O-CB 3.44Å; Y404-K408 PolarHBondContact O-N 2.95Å; M405-K408 PolarHBondContact O-N 3.47Å; M405-K408 VanDerWaalsContact O-N 3.17Å |
| 409 | T | 41.5 | Very low | 54.4 | Low | 116 Ų | 116 | 108.6 Ų | 108.6 | 71% | 0.712 | 58% | 0.579 | S | S | * | * | trans | -92.7 | 10.7 | 179.9 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | M405 | M405-T409 WeakPolarHBondContact O-CG2 3.21Å; M405-T409 PolarHBondContact O-N 2.75Å; M405-T409 PolarHBondContact O-OG1 3.02Å | ||
| 410 | S | 41 | Very low | 53.2 | Low | 152 Ų | 152 | 113 Ų | 113 | 100% | 1.063 | 60% | 0.598 | S | S | * | * | trans | -124.9 | 0 | 176.5 | -172.4 | 0 | 0 | 0 | 0 | 113.4 |
Retrieved 410 of 410 residues in 118.3 ms
(Link to these results)