| 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 | 36.7 | Very low | 35.8 | Very low | 247 Ų | 247 | 172.4 Ų | 172.4 | 100% | 1.217 | 86% | 0.855 | S | S | * | * | 0 | 84.7 | 0 | -89.4 | 179.3 | 155.8 | 0 | 0 | 108.8 | |||||
| 2 | M | 32.9 | Very low | 35.6 | Very low | 188 Ų | 188 | 168.3 Ų | 168.3 | 93% | 0.926 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 123.7 | 167.6 | -78.9 | 171.1 | 169.5 | 0 | 0 | 107.6 | ||
| 3 | K | 32.7 | Very low | 35.1 | Very low | 213 Ų | 213 | 162.5 Ų | 162.5 | 93% | 0.926 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 121.5 | 166.2 | -89.4 | -175.9 | 174.7 | 180 | 0 | 108.3 | ||
| 4 | F | 34.1 | Very low | 35 | Very low | 161 Ų | 161 | 166.1 Ų | 166.1 | 71% | 0.706 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 141 | 166 | -83.2 | -100.8 | 0 | 0 | 0 | 111.6 | F6 | F4-F6 HydrophobicContact CB-CD2 4.48Å; F4-F6 AromaticContact CD1-CD2 3.84Å; F4-F6 HydrophobicContact CD1-CD2 3.84Å; F4-F6 AromaticContact CD1-CE2 3.47Å; F4-F6 HydrophobicContact CD1-CE2 3.47Å; F4-F6 VanDerWaalsContact CD1-CE2 3.47Å; F4-F6 HydrophobicContact CD1-CZ 4.49Å; F4-F6 AromaticContact CE1-CE2 3.86Å; F4-F6 HydrophobicContact CE1-CE2 3.86Å; F4-F6 HydrophobicContact CG-CE2 4.44Å |
| 5 | N | 39.2 | Very low | 34.6 | Very low | 174 Ų | 174 | 165 Ų | 165 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | trans | -133.4 | 120.1 | 151.1 | -95 | -20.4 | 0 | 0 | 0 | 107.8 | ||||
| 6 | F | 34.6 | Very low | 34.3 | Very low | 161 Ų | 161 | 159.9 Ų | 159.9 | 71% | 0.706 | 83% | 0.826 | S | S | * | * | trans | -94.1 | 170.1 | 179.3 | -96.6 | -97.9 | 0 | 0 | 0 | 111.1 | F4 | F4-F6 HydrophobicContact CB-CD2 4.48Å; F4-F6 AromaticContact CD1-CD2 3.84Å; F4-F6 HydrophobicContact CD1-CD2 3.84Å; F4-F6 AromaticContact CD1-CE2 3.47Å; F4-F6 HydrophobicContact CD1-CE2 3.47Å; F4-F6 VanDerWaalsContact CD1-CE2 3.47Å; F4-F6 HydrophobicContact CD1-CZ 4.49Å; F4-F6 AromaticContact CE1-CE2 3.86Å; F4-F6 HydrophobicContact CE1-CE2 3.86Å; F4-F6 HydrophobicContact CG-CE2 4.44Å | ||
| 7 | Y | 31.2 | Very low | 34.2 | Very low | 213 Ų | 213 | 162.1 Ų | 162.1 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | 99 | 90.5 | 154.7 | -84.3 | -87.1 | 0 | 0 | 0 | 119.5 | ||||
| 8 | D | 38.4 | Very low | 33.8 | Very low | 143 Ų | 143 | 159.9 Ų | 159.9 | 77% | 0.765 | 82% | 0.818 | S | S | * | * | -60.4 | 155 | 129.3 | -149.8 | 12.2 | 0 | 0 | 0 | 108.8 | |||||
| 9 | P | 47.8 | Very low | 33.6 | Very low | 108 Ų | 108 | 160.5 Ų | 160.5 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | cis | -146.9 | 141 | 24.6 | 38.6 | -15.9 | 0 | 0 | 0 | 117.1 | ||||
| 10 | S | 30.8 | Very low | 33.5 | Very low | 103 Ų | 103 | 161.7 Ų | 161.7 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -151.7 | 78 | 167.1 | 66 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 11 | L | 35.5 | Very low | 33.3 | Very low | 185 Ų | 185 | 159.3 Ų | 159.3 | 97% | 0.969 | 81% | 0.813 | S | S | * | * | trans | -133.4 | 97.5 | 155.9 | -85 | 178.9 | 0 | 0 | 0 | 110.5 | ||||
| 12 | V | 33.3 | Very low | 33.2 | Very low | 124 Ų | 124 | 154.5 Ų | 154.5 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -64.5 | 139.5 | 179.9 | 166.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 13 | S | 29 | Very low | 33.1 | Very low | 92 Ų | 92 | 151.5 Ų | 151.5 | 64% | 0.643 | 78% | 0.78 | S | S | * | * | trans | -15.5 | 130.9 | 155.9 | 46.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 14 | K | 33.7 | Very low | 32.9 | Very low | 214 Ų | 214 | 148.2 Ų | 148.2 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | trans | -119.8 | 94.8 | 146.2 | -90.7 | -177.6 | 176.3 | 175.2 | 0 | 108.8 | ||||
| 15 | N | 29.2 | Very low | 32.7 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -78.9 | 146.8 | 163.2 | -87.9 | -20.1 | 0 | 0 | 0 | 110.3 | ||||
| 16 | A | 30.5 | Very low | 32.7 | Very low | 84 Ų | 84 | 145.3 Ų | 145.3 | 69% | 0.694 | 76% | 0.762 | S | S | * | * | trans | 53.2 | 126.8 | 134.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 17 | K | 31.4 | Very low | 32.5 | Very low | 197 Ų | 197 | 143.4 Ų | 143.4 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | trans | -153.8 | 101.9 | 136.2 | -94.3 | -177.9 | -178.9 | -175.6 | 0 | 106 | ||||
| 18 | D | 28.3 | Very low | 32.6 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | 69.7 | 98.6 | 83 | -65.4 | -17.2 | 0 | 0 | 0 | 110.7 | |||||
| 19 | E | 29.4 | Very low | 32.2 | Very low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | 81.7 | 115.3 | 98.9 | -81.2 | -171.7 | 167 | 0 | 0 | 113 | |||||
| 20 | Q | 31.5 | Very low | 31.5 | Very low | 184 Ų | 184 | 142.2 Ų | 142.2 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -159.7 | 88.4 | 134.6 | -111.4 | 170.8 | 23.1 | 0 | 0 | 110.6 | ||||
| 21 | T | 29.5 | Very low | 31.5 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | trans | -65.1 | 129.5 | 150.9 | 46.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 22 | N | 33.9 | Very low | 31.6 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | -135.4 | 91.7 | 158.3 | -100.4 | -23 | 0 | 0 | 0 | 110.8 | ||||
| 23 | N | 30.7 | Very low | 31.7 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | trans | 11.6 | 117.2 | 134.4 | -61.3 | -41.5 | 0 | 0 | 0 | 116.9 | ||||
| 24 | L | 28.4 | Very low | 32.1 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | 57.7 | 102.4 | 86.5 | -81.7 | 151.4 | 0 | 0 | 0 | 114.2 | |||||
| 25 | H | 29.6 | Very low | 32.7 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -157.3 | 115.1 | 131.6 | -123.6 | -62 | 0 | 0 | 0 | 112 | ||||
| 26 | P | 40.3 | Very low | 33.7 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 58% | 0.578 | 75% | 0.748 | S | S | * | * | trans | -91 | -169.6 | 164.2 | 36.2 | -27.2 | 0 | 0 | 0 | 110.2 | ||||
| 27 | V | 30.8 | Very low | 35 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | 100.1 | 122 | 171.7 | -177.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 28 | D | 32.6 | Very low | 36.6 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | cis | -157.8 | 135.8 | 15.4 | -96.8 | -29.9 | 0 | 0 | 0 | 106.6 | ||||
| 29 | A | 29.9 | Very low | 38.2 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | 60.1 | 94.5 | 65.4 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 30 | K | 34.1 | Very low | 40.1 | Very low | 219 Ų | 219 | 129 Ų | 129 | 95% | 0.952 | 73% | 0.725 | S | S | * | * | trans | -177.6 | 86.1 | 134 | -97.5 | 164.6 | -167.7 | 179.4 | 0 | 110.2 | ||||
| 31 | C | 29.2 | Very low | 42.2 | Very low | 122 Ų | 122 | 125.9 Ų | 125.9 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | trans | -97.6 | 142.1 | 165.7 | -134.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 32 | P | 37.9 | Very low | 44.5 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | trans | -78 | 136.3 | -177 | 26.8 | -21.8 | 0 | 0 | 0 | 111.9 | ||||
| 33 | I | 36 | Very low | 46.6 | Very low | 158 Ų | 158 | 123.6 Ų | 123.6 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 24.8 | 105.8 | 149.2 | -51.7 | 177.4 | 0 | 0 | 0 | 115.8 | ||
| 34 | L | 36.5 | Very low | 48.9 | Very low | 163 Ų | 163 | 121.3 Ų | 121.3 | 85% | 0.853 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 80.7 | 25.4 | 156.4 | -66.6 | 164.5 | 0 | 0 | 0 | 120.1 | ||
| 35 | N | 47.9 | Very low | 51.4 | Low | 144 Ų | 144 | 121.7 Ų | 121.7 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | trans | -130.2 | 18.7 | 158.1 | -93.8 | -22.6 | 0 | 0 | 0 | 113.7 | D37 L38 | N35-D37 PolarHBondContact O-N 2.87Å; N35-L38 PolarHBondContact O-N 3.19Å | ||
| 36 | G | 48.7 | Very low | 53.9 | Low | 44 Ų | 44 | 119.1 Ų | 119.1 | 45% | 0.454 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -60.5 | -26.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L38 T40 | G36-L38 VanDerWaalsContact C-N 3.29Å; G36-L38 PolarHBondContact O-N 3.4Å; G36-T40 PolarHBondContact O-N 3.12Å; G36-T40 PolarHBondContact O-OG1 3.2Å |
| 37 | D | 58 | Low | 55.9 | Low | 151 Ų | 151 | 123.2 Ų | 123.2 | 81% | 0.807 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.6 | -31.1 | -176.2 | -67.7 | -19.8 | 0 | 0 | 0 | 112.8 | N35 M41 | N35-D37 PolarHBondContact O-N 2.87Å; D37-M41 WeakPolarHBondContact O-CB 3.29Å; D37-M41 PolarHBondContact O-N 3.35Å |
| 38 | L | 64.8 | Low | 58.4 | Low | 113 Ų | 113 | 124.4 Ų | 124.4 | 59% | 0.592 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79 | -40 | -175.3 | -160.6 | 74.7 | 0 | 0 | 0 | 113 | N35 G36 M41 M42 | N35-L38 PolarHBondContact O-N 3.19Å; G36-L38 VanDerWaalsContact C-N 3.29Å; G36-L38 PolarHBondContact O-N 3.4Å; L38-M41 HydrophobicContact CD1-CE 3.7Å; L38-M41 PolarHBondContact O-N 3.08Å; L38-M42 PolarHBondContact O-N 3.48Å |
| 39 | A | 63.2 | Low | 60.9 | Low | 59 Ų | 59 | 123.2 Ų | 123.2 | 49% | 0.488 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -72.3 | -39.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M41 M42 I43 | A39-M41 VanDerWaalsContact C-N 3.32Å; A39-M42 PolarHBondContact O-N 3.48Å; A39-I43 PolarHBondContact O-N 3.29Å |
| 40 | T | 68.8 | Low | 63.6 | Low | 102 Ų | 102 | 122.3 Ų | 122.3 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.6 | -38 | 173.5 | -43.4 | 0 | 0 | 0 | 0 | 110.9 | G36 M42 E44 | G36-T40 PolarHBondContact O-N 3.12Å; G36-T40 PolarHBondContact O-OG1 3.2Å; T40-M42 VanDerWaalsContact C-N 3.34Å; T40-M42 PolarHBondContact O-N 2.94Å; T40-E44 WeakPolarHBondContact O-CB 3.44Å; T40-E44 PolarHBondContact O-N 3.37Å |
| 41 | M | 74.7 | Confident | 66 | Low | 118 Ų | 118 | 114.3 Ų | 114.3 | 58% | 0.581 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.8 | -33.6 | 175.3 | -169.5 | -174 | 73.3 | 0 | 0 | 112.7 | D37 L38 A39 K45 | D37-M41 WeakPolarHBondContact O-CB 3.29Å; D37-M41 PolarHBondContact O-N 3.35Å; L38-M41 HydrophobicContact CD1-CE 3.7Å; L38-M41 PolarHBondContact O-N 3.08Å; A39-M41 VanDerWaalsContact C-N 3.32Å; M41-K45 VanDerWaalsContact O-CB 3.26Å; M41-K45 WeakPolarHBondContact O-CB 3.42Å; M41-K45 PolarHBondContact O-N 3.43Å |
| 42 | M | 77.5 | Confident | 68.8 | Low | 108 Ų | 108 | 113.9 Ų | 113.9 | 53% | 0.532 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -69.1 | -48.7 | 175.5 | -84.4 | -172 | 54.6 | 0 | 0 | 113.3 | L38 A39 T40 E44 K45 E46 | L38-M42 PolarHBondContact O-N 3.48Å; A39-M42 PolarHBondContact O-N 3.48Å; T40-M42 VanDerWaalsContact C-N 3.34Å; T40-M42 PolarHBondContact O-N 2.94Å; M42-E44 VanDerWaalsContact C-N 3.27Å; M42-E44 PolarHBondContact O-N 2.96Å; M42-K45 WeakPolarHBondContact O-CB 3.44Å; M42-K45 PolarHBondContact O-N 3.44Å; M42-K45 VanDerWaalsContact O-N 3.11Å; M42-E46 PolarHBondContact O-N 3.16Å |
| 43 | I | 78.8 | Confident | 71.2 | Confident | 101 Ų | 101 | 113.2 Ų | 113.2 | 52% | 0.518 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.1 | -40.2 | 177.9 | -65.4 | 172 | 0 | 0 | 0 | 110.4 | A39 K45 E46 R47 | A39-I43 PolarHBondContact O-N 3.29Å; I43-K45 VanDerWaalsContact C-N 3.34Å; I43-E46 PolarHBondContact O-N 3.45Å; I43-R47 PolarHBondContact O-N 3.34Å |
| 44 | E | 78.5 | Confident | 73.7 | Confident | 78 Ų | 78 | 110.3 Ų | 110.3 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.5 | -38.2 | 175.2 | -179 | 61.2 | -165.4 | 0 | 0 | 111.7 | T40 M42 R47 R48 | T40-E44 WeakPolarHBondContact O-CB 3.44Å; T40-E44 PolarHBondContact O-N 3.37Å; M42-E44 VanDerWaalsContact C-N 3.27Å; M42-E44 PolarHBondContact O-N 2.96Å; E44-R47 PolarHBondContact O-N 2.92Å; E44-R48 VanDerWaalsContact CG-NH2 3.29Å; E44-R48 WeakPolarHBondContact O-CB 3.46Å; E44-R48 WeakPolarHBondContact O-CG 3.43Å; E44-R48 PolarHBondContact O-N 2.87Å; E44-R48 IonicContact OE1-CZ 3.82Å; E44-R48 IonicContact OE1-NE 3.56Å; E44-R48 PolarHBondContact OE1-NE 3.35Å; E44-R48 IonicContact OE1-NH2 2.98Å; E44-R48 PolarHBondContact OE1-NH2 2.92Å |
| 45 | K | 81.9 | Confident | 76.2 | Confident | 152 Ų | 152 | 106 Ų | 106 | 66% | 0.661 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.7 | -41.7 | 174.2 | -172.1 | -178.8 | 179.6 | -175.8 | 0 | 112 | M41 M42 I43 R48 H49 | M41-K45 VanDerWaalsContact O-CB 3.26Å; M41-K45 WeakPolarHBondContact O-CB 3.42Å; M41-K45 PolarHBondContact O-N 3.43Å; M42-K45 WeakPolarHBondContact O-CB 3.44Å; M42-K45 PolarHBondContact O-N 3.44Å; M42-K45 VanDerWaalsContact O-N 3.11Å; I43-K45 VanDerWaalsContact C-N 3.34Å; K45-R48 PolarHBondContact O-N 2.98Å; K45-H49 WeakPolarHBondContact O-CB 3.31Å; K45-H49 PolarHBondContact O-N 2.92Å |
| 46 | E | 82.5 | Confident | 78.3 | Confident | 131 Ų | 131 | 104.7 Ų | 104.7 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 175.7 | -74.1 | 178.6 | 174.9 | 0 | 0 | 111.9 | M42 I43 H49 A50 | M42-E46 PolarHBondContact O-N 3.16Å; I43-E46 PolarHBondContact O-N 3.45Å; E46-H49 PolarHBondContact O-N 3.26Å; E46-A50 WeakPolarHBondContact O-CB 3.36Å; E46-A50 PolarHBondContact O-N 2.95Å |
| 47 | R | 82.1 | Confident | 80.2 | Confident | 175 Ų | 175 | 108 Ų | 108 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.9 | -43.3 | 173.6 | -102.2 | -170.2 | 170.2 | 125.9 | 0.2 | 112.4 | I43 E44 H49 A50 A51 | I43-R47 PolarHBondContact O-N 3.34Å; E44-R47 PolarHBondContact O-N 2.92Å; R47-H49 VanDerWaalsContact C-N 3.34Å; R47-A50 PolarHBondContact O-N 3.48Å; R47-A51 VanDerWaalsContact O-CB 3.3Å; R47-A51 WeakPolarHBondContact O-CB 3.39Å; R47-A51 PolarHBondContact O-N 2.68Å |
| 48 | R | 82.7 | Confident | 81.9 | Confident | 145 Ų | 145 | 105.2 Ų | 105.2 | 55% | 0.547 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.1 | -76.7 | -179.5 | -161 | 158.2 | 5.6 | 111.1 | E44 K45 A50 A51 E52 | E44-R48 VanDerWaalsContact CG-NH2 3.29Å; E44-R48 WeakPolarHBondContact O-CB 3.46Å; E44-R48 WeakPolarHBondContact O-CG 3.43Å; E44-R48 PolarHBondContact O-N 2.87Å; E44-R48 IonicContact OE1-CZ 3.82Å; E44-R48 IonicContact OE1-NE 3.56Å; E44-R48 PolarHBondContact OE1-NE 3.35Å; E44-R48 IonicContact OE1-NH2 2.98Å; E44-R48 PolarHBondContact OE1-NH2 2.92Å; K45-R48 PolarHBondContact O-N 2.98Å; R48-A50 PolarHBondContact O-N 3.24Å; R48-A51 CarbonylContact O-C 3.56Å; R48-A51 PolarHBondContact O-N 3.01Å; R48-E52 WeakPolarHBondContact O-CB 3.41Å; R48-E52 VanDerWaalsContact O-CG 3.23Å; R48-E52 WeakPolarHBondContact O-CG 3.4Å; R48-E52 PolarHBondContact O-N 3.49Å |
| 49 | H | 84.8 | Confident | 83.2 | Confident | 114 Ų | 114 | 105.2 Ų | 105.2 | 53% | 0.528 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 179.7 | -162.9 | 43.3 | 0 | 0 | 0 | 112.4 | K45 E46 R47 E52 L53 | K45-H49 WeakPolarHBondContact O-CB 3.31Å; K45-H49 PolarHBondContact O-N 2.92Å; E46-H49 PolarHBondContact O-N 3.26Å; R47-H49 VanDerWaalsContact C-N 3.34Å; H49-E52 IonicContact ND1-OE2 2.79Å; H49-E52 PolarHBondContact O-N 3.19Å; H49-L53 WeakPolarHBondContact O-CB 3.5Å; H49-L53 PolarHBondContact O-N 2.9Å |
| 50 | A | 86.2 | Confident | 84.6 | Confident | 63 Ų | 63 | 108.1 Ų | 108.1 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E46 R47 R48 N54 | E46-A50 WeakPolarHBondContact O-CB 3.36Å; E46-A50 PolarHBondContact O-N 2.95Å; R47-A50 PolarHBondContact O-N 3.48Å; R48-A50 PolarHBondContact O-N 3.24Å; A50-N54 VanDerWaalsContact O-CB 3.27Å; A50-N54 WeakPolarHBondContact O-CB 3.39Å; A50-N54 PolarHBondContact O-N 3.17Å |
| 51 | A | 85.6 | Confident | 85.7 | Confident | 52 Ų | 52 | 109.2 Ų | 109.2 | 43% | 0.43 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R47 R48 N54 C55 | R47-A51 VanDerWaalsContact O-CB 3.3Å; R47-A51 WeakPolarHBondContact O-CB 3.39Å; R47-A51 PolarHBondContact O-N 2.68Å; R48-A51 CarbonylContact O-C 3.56Å; R48-A51 PolarHBondContact O-N 3.01Å; A51-N54 PolarHBondContact O-N 3.32Å; A51-C55 WeakPolarHBondContact O-CB 3.39Å; A51-C55 PolarHBondContact O-N 3.43Å; A51-C55 PolarHBondContact O-SG 2.82Å |
| 52 | E | 87.7 | Confident | 86.6 | Confident | 112 Ų | 112 | 109.1 Ų | 109.1 | 52% | 0.523 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 173.7 | -76.4 | 165.7 | -175.7 | 0 | 0 | 110.5 | R48 H49 N54 C55 E56 | R48-E52 WeakPolarHBondContact O-CB 3.41Å; R48-E52 VanDerWaalsContact O-CG 3.23Å; R48-E52 WeakPolarHBondContact O-CG 3.4Å; R48-E52 PolarHBondContact O-N 3.49Å; H49-E52 IonicContact ND1-OE2 2.79Å; H49-E52 PolarHBondContact O-N 3.19Å; E52-N54 VanDerWaalsContact C-N 3.31Å; E52-N54 PolarHBondContact O-N 2.83Å; E52-C55 CarbonylContact O-C 3.58Å; E52-C55 WeakPolarHBondContact O-CB 3.39Å; E52-C55 PolarHBondContact O-N 3.32Å; E52-C55 VanDerWaalsContact O-N 3.16Å; E52-E56 WeakPolarHBondContact O-CB 3.43Å; E52-E56 PolarHBondContact O-N 3.28Å |
| 53 | L | 88.6 | Confident | 87.4 | Confident | 94 Ų | 94 | 110 Ų | 110 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 178.3 | -155.8 | 108.3 | 0 | 0 | 0 | 111.6 | H49 E56 M57 | H49-L53 WeakPolarHBondContact O-CB 3.5Å; H49-L53 PolarHBondContact O-N 2.9Å; L53-E56 PolarHBondContact O-N 2.88Å; L53-M57 WeakPolarHBondContact O-CG 3.41Å; L53-M57 PolarHBondContact O-N 3.19Å |
| 54 | N | 88.4 | Confident | 88 | Confident | 97 Ų | 97 | 108.4 Ų | 108.4 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.7 | -37.7 | 176 | -156.6 | 19.4 | 0 | 0 | 0 | 111.6 | A50 A51 E52 E56 L58 | A50-N54 VanDerWaalsContact O-CB 3.27Å; A50-N54 WeakPolarHBondContact O-CB 3.39Å; A50-N54 PolarHBondContact O-N 3.17Å; A51-N54 PolarHBondContact O-N 3.32Å; E52-N54 VanDerWaalsContact C-N 3.31Å; E52-N54 PolarHBondContact O-N 2.83Å; N54-E56 VanDerWaalsContact C-N 3.32Å; N54-L58 WeakPolarHBondContact O-CB 3.45Å; N54-L58 VanDerWaalsContact O-CG 3.3Å; N54-L58 WeakPolarHBondContact O-CG 3.48Å; N54-L58 PolarHBondContact O-N 3.26Å |
| 55 | C | 89.1 | Confident | 88.8 | Confident | 74 Ų | 74 | 112.7 Ų | 112.7 | 50% | 0.5 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.2 | -38.7 | 171.4 | -69.7 | 0 | 0 | 0 | 0 | 111.4 | A51 E52 L58 L59 | A51-C55 WeakPolarHBondContact O-CB 3.39Å; A51-C55 PolarHBondContact O-N 3.43Å; A51-C55 PolarHBondContact O-SG 2.82Å; E52-C55 CarbonylContact O-C 3.58Å; E52-C55 WeakPolarHBondContact O-CB 3.39Å; E52-C55 PolarHBondContact O-N 3.32Å; E52-C55 VanDerWaalsContact O-N 3.16Å; C55-L58 PolarHBondContact O-N 3.01Å; C55-L59 WeakPolarHBondContact O-CB 3.15Å; C55-L59 WeakPolarHBondContact O-CG 3.35Å; C55-L59 PolarHBondContact O-N 3.5Å |
| 56 | E | 91 | Very high | 89.5 | Confident | 116 Ų | 116 | 112 Ų | 112 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.9 | -40.4 | 178.7 | -166.6 | 159.9 | -161.1 | 0 | 0 | 111.6 | E52 L53 N54 L59 Q60 | E52-E56 WeakPolarHBondContact O-CB 3.43Å; E52-E56 PolarHBondContact O-N 3.28Å; L53-E56 PolarHBondContact O-N 2.88Å; N54-E56 VanDerWaalsContact C-N 3.32Å; E56-L59 WeakPolarHBondContact O-CB 3.36Å; E56-L59 PolarHBondContact O-N 3.24Å; E56-Q60 WeakPolarHBondContact O-CG 3.39Å; E56-Q60 PolarHBondContact O-N 3.42Å |
| 57 | M | 90.2 | Very high | 90 | Very high | 112 Ų | 112 | 109.5 Ų | 109.5 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.5 | -44.1 | 169.7 | -75.3 | -175.9 | 63 | 0 | 0 | 112 | L53 L59 Q60 E61 | L53-M57 WeakPolarHBondContact O-CG 3.41Å; L53-M57 PolarHBondContact O-N 3.19Å; M57-L59 VanDerWaalsContact C-N 3.34Å; M57-L59 PolarHBondContact O-N 3.21Å; M57-Q60 PolarHBondContact O-N 3.42Å; M57-E61 WeakPolarHBondContact O-CB 3.34Å; M57-E61 PolarHBondContact O-N 3.41Å |
| 58 | L | 92.8 | Very high | 90.6 | Very high | 94 Ų | 94 | 108.4 Ų | 108.4 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.2 | -38 | 175.4 | -76.3 | 169.6 | 0 | 0 | 0 | 112 | N54 C55 E61 L62 | N54-L58 WeakPolarHBondContact O-CB 3.45Å; N54-L58 VanDerWaalsContact O-CG 3.3Å; N54-L58 WeakPolarHBondContact O-CG 3.48Å; N54-L58 PolarHBondContact O-N 3.26Å; C55-L58 PolarHBondContact O-N 3.01Å; L58-E61 PolarHBondContact O-N 3.09Å; L58-L62 WeakPolarHBondContact O-CB 3.45Å; L58-L62 VanDerWaalsContact O-CG 3.23Å; L58-L62 WeakPolarHBondContact O-CG 3.21Å; L58-L62 PolarHBondContact O-N 2.77Å |
| 59 | L | 93 | Very high | 91.2 | Very high | 113 Ų | 113 | 106.2 Ų | 106.2 | 59% | 0.592 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.1 | -46.7 | 174 | -89.1 | 157.1 | 0 | 0 | 0 | 111.3 | C55 E56 M57 E61 L62 E63 | C55-L59 WeakPolarHBondContact O-CB 3.15Å; C55-L59 WeakPolarHBondContact O-CG 3.35Å; C55-L59 PolarHBondContact O-N 3.5Å; E56-L59 WeakPolarHBondContact O-CB 3.36Å; E56-L59 PolarHBondContact O-N 3.24Å; M57-L59 VanDerWaalsContact C-N 3.34Å; M57-L59 PolarHBondContact O-N 3.21Å; L59-E61 VanDerWaalsContact C-N 3.32Å; L59-E61 PolarHBondContact O-N 3.03Å; L59-L62 PolarHBondContact O-N 3.4Å; L59-E63 WeakPolarHBondContact O-CB 3.49Å; L59-E63 PolarHBondContact O-N 3.29Å |
| 60 | Q | 92.3 | Very high | 91.8 | Very high | 120 Ų | 120 | 104.5 Ų | 104.5 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.2 | -39.9 | 175.4 | -74.5 | 178.2 | -0.4 | 0 | 0 | 111.9 | E56 M57 E63 S64 | E56-Q60 WeakPolarHBondContact O-CG 3.39Å; E56-Q60 PolarHBondContact O-N 3.42Å; M57-Q60 PolarHBondContact O-N 3.42Å; Q60-E63 PolarHBondContact O-N 3.11Å; Q60-S64 WeakPolarHBondContact O-CB 3.26Å; Q60-S64 PolarHBondContact O-N 3.14Å; Q60-S64 PolarHBondContact O-OG 3.02Å |
| 61 | E | 91.9 | Very high | 92.2 | Very high | 125 Ų | 125 | 106.8 Ų | 106.8 | 58% | 0.584 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.8 | -40.8 | 176.2 | -170.8 | 154.1 | -167 | 0 | 0 | 111.5 | M57 L58 L59 S64 R65 | M57-E61 WeakPolarHBondContact O-CB 3.34Å; M57-E61 PolarHBondContact O-N 3.41Å; L58-E61 PolarHBondContact O-N 3.09Å; L59-E61 VanDerWaalsContact C-N 3.32Å; L59-E61 PolarHBondContact O-N 3.03Å; E61-S64 PolarHBondContact O-N 3.41Å; E61-S64 PolarHBondContact O-OG 2.97Å; E61-R65 VanDerWaalsContact O-CB 3.31Å; E61-R65 WeakPolarHBondContact O-CB 3.35Å; E61-R65 PolarHBondContact O-N 3.45Å |
| 62 | L | 93.3 | Very high | 92.7 | Very high | 115 Ų | 115 | 107.7 Ų | 107.7 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 172.2 | -74.8 | 171.7 | 0 | 0 | 0 | 112.1 | L58 L59 R65 E66 | L58-L62 WeakPolarHBondContact O-CB 3.45Å; L58-L62 VanDerWaalsContact O-CG 3.23Å; L58-L62 WeakPolarHBondContact O-CG 3.21Å; L58-L62 PolarHBondContact O-N 2.77Å; L59-L62 PolarHBondContact O-N 3.4Å; L62-R65 PolarHBondContact O-N 2.85Å; L62-E66 WeakPolarHBondContact O-CB 3.36Å; L62-E66 PolarHBondContact O-N 3.03Å |
| 63 | E | 93.6 | Very high | 93 | Very high | 127 Ų | 127 | 107.3 Ų | 107.3 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.8 | -40.7 | 178.8 | -169.5 | 172 | -159 | 0 | 0 | 111.4 | L59 Q60 R65 E66 T67 | L59-E63 WeakPolarHBondContact O-CB 3.49Å; L59-E63 PolarHBondContact O-N 3.29Å; Q60-E63 PolarHBondContact O-N 3.11Å; E63-R65 VanDerWaalsContact C-N 3.3Å; E63-R65 PolarHBondContact O-N 2.89Å; E63-E66 PolarHBondContact O-N 3.11Å; E63-T67 WeakPolarHBondContact O-CG2 3.42Å; E63-T67 PolarHBondContact O-N 2.93Å; E63-T67 PolarHBondContact O-OG1 2.89Å |
| 64 | S | 92.8 | Very high | 93.4 | Very high | 67 Ų | 67 | 106 Ų | 106 | 47% | 0.469 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 173.4 | 78.2 | 0 | 0 | 0 | 0 | 112.4 | Q60 E61 T67 Y68 | Q60-S64 WeakPolarHBondContact O-CB 3.26Å; Q60-S64 PolarHBondContact O-N 3.14Å; Q60-S64 PolarHBondContact O-OG 3.02Å; E61-S64 PolarHBondContact O-N 3.41Å; E61-S64 PolarHBondContact O-OG 2.97Å; S64-T67 VanDerWaalsContact C-OG1 3.32Å; S64-T67 VanDerWaalsContact CA-OG1 3.31Å; S64-T67 WeakPolarHBondContact CA-OG1 3.42Å; S64-T67 PolarHBondContact O-OG1 3.45Å; S64-Y68 WeakPolarHBondContact O-CB 3.4Å; S64-Y68 PolarHBondContact O-N 3.05Å |
| 65 | R | 95 | Very high | 93.8 | Very high | 168 Ų | 168 | 104.3 Ų | 104.3 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.8 | -36.1 | 178 | -163.1 | 170.8 | -176.6 | 105.6 | -1.5 | 111.5 | E61 L62 E63 L69 | E61-R65 VanDerWaalsContact O-CB 3.31Å; E61-R65 WeakPolarHBondContact O-CB 3.35Å; E61-R65 PolarHBondContact O-N 3.45Å; L62-R65 PolarHBondContact O-N 2.85Å; E63-R65 VanDerWaalsContact C-N 3.3Å; E63-R65 PolarHBondContact O-N 2.89Å; R65-L69 HydrophobicContact CG-CD1 4.45Å; R65-L69 WeakPolarHBondContact O-CB 3.42Å; R65-L69 WeakPolarHBondContact O-CG 3.3Å; R65-L69 PolarHBondContact O-N 2.98Å |
| 66 | E | 95.4 | Very high | 94.1 | Very high | 139 Ų | 139 | 105.2 Ų | 105.2 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -47 | 172.9 | -178.2 | 171.3 | -165.8 | 0 | 0 | 111.2 | L62 E63 L69 Q70 | L62-E66 WeakPolarHBondContact O-CB 3.36Å; L62-E66 PolarHBondContact O-N 3.03Å; E63-E66 PolarHBondContact O-N 3.11Å; E66-L69 PolarHBondContact O-N 3.19Å; E66-Q70 WeakPolarHBondContact O-CB 3.44Å; E66-Q70 PolarHBondContact O-N 2.86Å |
| 67 | T | 94.2 | Very high | 94.3 | Very high | 77 Ų | 77 | 104.8 Ų | 104.8 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 175.2 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | E63 S64 L69 Q70 D71 | E63-T67 WeakPolarHBondContact O-CG2 3.42Å; E63-T67 PolarHBondContact O-N 2.93Å; E63-T67 PolarHBondContact O-OG1 2.89Å; S64-T67 VanDerWaalsContact C-OG1 3.32Å; S64-T67 VanDerWaalsContact CA-OG1 3.31Å; S64-T67 WeakPolarHBondContact CA-OG1 3.42Å; S64-T67 PolarHBondContact O-OG1 3.45Å; T67-L69 PolarHBondContact O-N 3.47Å; T67-Q70 PolarHBondContact O-N 3.02Å; T67-D71 PolarHBondContact O-N 3Å |
| 68 | Y | 94.5 | Very high | 94.6 | Very high | 153 Ų | 153 | 106.2 Ų | 106.2 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.2 | -45 | 173.4 | 177.3 | -97.4 | 0 | 0 | 0 | 113 | S64 Q70 D71 L72 | S64-Y68 WeakPolarHBondContact O-CB 3.4Å; S64-Y68 PolarHBondContact O-N 3.05Å; Y68-Q70 VanDerWaalsContact C-N 3.33Å; Y68-D71 PolarHBondContact O-N 2.85Å; Y68-L72 HydrophobicContact CE1-CD2 4.48Å; Y68-L72 WeakPolarHBondContact O-CB 3.41Å; Y68-L72 PolarHBondContact O-N 3.4Å |
| 69 | L | 95.8 | Very high | 94.7 | Very high | 98 Ų | 98 | 110.2 Ų | 110.2 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.7 | -35.4 | 177.7 | -74.8 | 172.6 | 0 | 0 | 0 | 111.9 | R65 E66 T67 L72 K73 | R65-L69 HydrophobicContact CG-CD1 4.45Å; R65-L69 WeakPolarHBondContact O-CB 3.42Å; R65-L69 WeakPolarHBondContact O-CG 3.3Å; R65-L69 PolarHBondContact O-N 2.98Å; E66-L69 PolarHBondContact O-N 3.19Å; T67-L69 PolarHBondContact O-N 3.47Å; L69-L72 PolarHBondContact O-N 3.3Å; L69-K73 WeakPolarHBondContact O-CB 3.34Å; L69-K73 PolarHBondContact O-N 2.92Å |
| 70 | Q | 95.7 | Very high | 94.9 | Very high | 79 Ų | 79 | 109.5 Ų | 109.5 | 37% | 0.369 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.8 | -40.5 | 176.4 | -173.6 | 56.8 | 43.9 | 0 | 0 | 111.4 | E66 T67 Y68 K73 N74 | E66-Q70 WeakPolarHBondContact O-CB 3.44Å; E66-Q70 PolarHBondContact O-N 2.86Å; T67-Q70 PolarHBondContact O-N 3.02Å; Y68-Q70 VanDerWaalsContact C-N 3.33Å; Q70-K73 PolarHBondContact O-N 3.19Å; Q70-N74 PolarHBondContact NE2-OD1 3.23Å; Q70-N74 WeakPolarHBondContact O-CB 3.35Å; Q70-N74 PolarHBondContact O-N 2.93Å; Q70-N74 PolarHBondContact O-ND2 2.82Å; Q70-N74 PolarHBondContact O-OD1 3.44Å |
| 71 | D | 95 | Very high | 95 | Very high | 110 Ų | 110 | 110.2 Ų | 110.2 | 59% | 0.588 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -41.3 | 173.3 | -78.6 | -16.6 | 0 | 0 | 0 | 112 | T67 Y68 N74 S75 | T67-D71 PolarHBondContact O-N 3Å; Y68-D71 PolarHBondContact O-N 2.85Å; D71-N74 PolarHBondContact O-N 3.36Å; D71-S75 VanDerWaalsContact O-CB 3.31Å; D71-S75 WeakPolarHBondContact O-CB 3.43Å; D71-S75 PolarHBondContact O-N 3.16Å |
| 72 | L | 95.7 | Very high | 95.2 | Very high | 71 Ų | 71 | 108 Ų | 108 | 37% | 0.372 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 174.3 | -175.7 | 63 | 0 | 0 | 0 | 111 | Y68 L69 S75 L76 | Y68-L72 HydrophobicContact CE1-CD2 4.48Å; Y68-L72 WeakPolarHBondContact O-CB 3.41Å; Y68-L72 PolarHBondContact O-N 3.4Å; L69-L72 PolarHBondContact O-N 3.3Å; L72-S75 WeakPolarHBondContact O-CB 3.23Å; L72-S75 PolarHBondContact O-N 3.34Å; L72-L76 HydrophobicContact CG-CD1 4.23Å; L72-L76 WeakPolarHBondContact O-CB 3.25Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.43Å |
| 73 | K | 95.5 | Very high | 95.2 | Very high | 105 Ų | 105 | 105.1 Ų | 105.1 | 46% | 0.457 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 174.6 | 175.3 | -179.2 | 171.6 | -172.4 | 0 | 111.2 | L69 Q70 S75 L76 F77 | L69-K73 WeakPolarHBondContact O-CB 3.34Å; L69-K73 PolarHBondContact O-N 2.92Å; Q70-K73 PolarHBondContact O-N 3.19Å; K73-S75 VanDerWaalsContact C-N 3.35Å; K73-S75 PolarHBondContact O-N 3.47Å; K73-L76 PolarHBondContact O-N 2.89Å; K73-F77 HydrophobicContact CD-CE2 4.13Å; K73-F77 HydrophobicContact CG-CD2 3.73Å; K73-F77 HydrophobicContact CG-CE2 3.5Å; K73-F77 VanDerWaalsContact CG-CE2 3.5Å; K73-F77 WeakPolarHBondContact O-CD2 3.43Å; K73-F77 PolarHBondContact O-N 2.75Å |
| 74 | N | 96 | Very high | 95.2 | Very high | 65 Ų | 65 | 104.4 Ų | 104.4 | 35% | 0.348 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 177.4 | -69.8 | -18.8 | 0 | 0 | 0 | 111.9 | Q70 D71 F77 K78 | Q70-N74 PolarHBondContact NE2-OD1 3.23Å; Q70-N74 WeakPolarHBondContact O-CB 3.35Å; Q70-N74 PolarHBondContact O-N 2.93Å; Q70-N74 PolarHBondContact O-ND2 2.82Å; Q70-N74 PolarHBondContact O-OD1 3.44Å; D71-N74 PolarHBondContact O-N 3.36Å; N74-F77 PolarHBondContact O-N 2.86Å; N74-K78 WeakPolarHBondContact O-CG 3.33Å; N74-K78 PolarHBondContact O-N 2.86Å |
| 75 | S | 96.1 | Very high | 95.3 | Very high | 62 Ų | 62 | 109 Ų | 109 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 175.3 | -179 | 0 | 0 | 0 | 0 | 111.9 | D71 L72 K73 K78 R79 | D71-S75 VanDerWaalsContact O-CB 3.31Å; D71-S75 WeakPolarHBondContact O-CB 3.43Å; D71-S75 PolarHBondContact O-N 3.16Å; L72-S75 WeakPolarHBondContact O-CB 3.23Å; L72-S75 PolarHBondContact O-N 3.34Å; K73-S75 VanDerWaalsContact C-N 3.35Å; K73-S75 PolarHBondContact O-N 3.47Å; S75-K78 PolarHBondContact O-N 3.28Å; S75-R79 WeakPolarHBondContact O-CG 3.41Å; S75-R79 PolarHBondContact O-N 2.77Å |
| 76 | L | 95.9 | Very high | 95.4 | Very high | 94 Ų | 94 | 106.5 Ų | 106.5 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 175.7 | -71.4 | 174.9 | 0 | 0 | 0 | 111.9 | L72 K73 R79 M80 | L72-L76 HydrophobicContact CG-CD1 4.23Å; L72-L76 WeakPolarHBondContact O-CB 3.25Å; L72-L76 VanDerWaalsContact O-CG 3.28Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.43Å; K73-L76 PolarHBondContact O-N 2.89Å; L76-R79 PolarHBondContact O-N 3.39Å; L76-M80 WeakPolarHBondContact O-CB 3.34Å; L76-M80 PolarHBondContact O-N 3.42Å |
| 77 | F | 96.5 | Very high | 95.4 | Very high | 106 Ų | 106 | 105.4 Ų | 105.4 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.4 | -46.3 | 174.5 | -85.5 | -60 | 0 | 0 | 0 | 112.5 | K73 N74 R79 M80 E81 | K73-F77 HydrophobicContact CD-CE2 4.13Å; K73-F77 HydrophobicContact CG-CD2 3.73Å; K73-F77 HydrophobicContact CG-CE2 3.5Å; K73-F77 VanDerWaalsContact CG-CE2 3.5Å; K73-F77 WeakPolarHBondContact O-CD2 3.43Å; K73-F77 PolarHBondContact O-N 2.75Å; N74-F77 PolarHBondContact O-N 2.86Å; F77-R79 VanDerWaalsContact C-N 3.3Å; F77-R79 PolarHBondContact O-N 3.21Å; F77-M80 HydrophobicContact CD1-CE 3.95Å; F77-M80 HydrophobicContact CE1-CE 3.92Å; F77-M80 WeakPolarHBondContact O-CB 3.44Å; F77-M80 PolarHBondContact O-N 3.47Å; F77-M80 VanDerWaalsContact O-N 3.13Å; F77-E81 WeakPolarHBondContact O-CB 3.43Å; F77-E81 PolarHBondContact O-N 3.1Å |
| 78 | K | 96 | Very high | 95.5 | Very high | 143 Ų | 143 | 106.2 Ų | 106.2 | 62% | 0.622 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.9 | -40.8 | 175.9 | -73.3 | 175.5 | -179.1 | 178.2 | 0 | 112 | N74 S75 E81 V82 | N74-K78 WeakPolarHBondContact O-CG 3.33Å; N74-K78 PolarHBondContact O-N 2.86Å; S75-K78 PolarHBondContact O-N 3.28Å; K78-E81 PolarHBondContact O-N 3.29Å; K78-V82 VanDerWaalsContact O-CG2 3.27Å; K78-V82 WeakPolarHBondContact O-CG2 3.39Å; K78-V82 PolarHBondContact O-N 2.86Å |
| 79 | R | 95.3 | Very high | 95.5 | Very high | 178 Ų | 178 | 104.8 Ų | 104.8 | 67% | 0.672 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.7 | -39.2 | 175.3 | -74.7 | -179 | 64.4 | -176.9 | -1.2 | 112.2 | S75 L76 F77 A83 | S75-R79 WeakPolarHBondContact O-CG 3.41Å; S75-R79 PolarHBondContact O-N 2.77Å; L76-R79 PolarHBondContact O-N 3.39Å; F77-R79 VanDerWaalsContact C-N 3.3Å; F77-R79 PolarHBondContact O-N 3.21Å; R79-A83 VanDerWaalsContact O-CB 3.32Å; R79-A83 WeakPolarHBondContact O-CB 3.41Å; R79-A83 PolarHBondContact O-N 3.17Å |
| 80 | M | 96.1 | Very high | 95.5 | Very high | 98 Ų | 98 | 105.4 Ų | 105.4 | 48% | 0.483 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 176.4 | -169.1 | 152.3 | 80.1 | 0 | 0 | 111.1 | L76 F77 V82 A83 E84 | L76-M80 WeakPolarHBondContact O-CB 3.34Å; L76-M80 PolarHBondContact O-N 3.42Å; F77-M80 HydrophobicContact CD1-CE 3.95Å; F77-M80 HydrophobicContact CE1-CE 3.92Å; F77-M80 WeakPolarHBondContact O-CB 3.44Å; F77-M80 PolarHBondContact O-N 3.47Å; F77-M80 VanDerWaalsContact O-N 3.13Å; M80-V82 PolarHBondContact O-N 2.97Å; M80-A83 CarbonylContact O-C 3.55Å; M80-A83 PolarHBondContact O-N 3.39Å; M80-A83 VanDerWaalsContact O-N 3.16Å; M80-E84 WeakPolarHBondContact O-CB 3.27Å; M80-E84 WeakPolarHBondContact O-CG 3.37Å; M80-E84 PolarHBondContact O-N 3.15Å |
| 81 | E | 95 | Very high | 95.5 | Very high | 135 Ų | 135 | 105.3 Ų | 105.3 | 63% | 0.631 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.8 | -43.7 | 176.1 | -172.1 | 178.1 | -164.2 | 0 | 0 | 111.8 | F77 K78 E84 Y85 | F77-E81 WeakPolarHBondContact O-CB 3.43Å; F77-E81 PolarHBondContact O-N 3.1Å; K78-E81 PolarHBondContact O-N 3.29Å; E81-E84 PolarHBondContact O-N 2.79Å; E81-Y85 WeakPolarHBondContact O-CB 3.35Å; E81-Y85 PolarHBondContact O-N 2.81Å |
| 82 | V | 95 | Very high | 95.5 | Very high | 79 Ų | 79 | 103.4 Ų | 103.4 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 173.8 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | K78 M80 Y85 Q86 | K78-V82 VanDerWaalsContact O-CG2 3.27Å; K78-V82 WeakPolarHBondContact O-CG2 3.39Å; K78-V82 PolarHBondContact O-N 2.86Å; M80-V82 PolarHBondContact O-N 2.97Å; V82-Y85 PolarHBondContact O-N 2.82Å; V82-Q86 WeakPolarHBondContact O-CB 3.38Å; V82-Q86 VanDerWaalsContact O-CG 3.29Å; V82-Q86 WeakPolarHBondContact O-CG 3.3Å; V82-Q86 PolarHBondContact O-N 3.41Å |
| 83 | A | 93.9 | Very high | 95.5 | Very high | 53 Ų | 53 | 103.6 Ų | 103.6 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | R79 M80 Q86 M87 | R79-A83 VanDerWaalsContact O-CB 3.32Å; R79-A83 WeakPolarHBondContact O-CB 3.41Å; R79-A83 PolarHBondContact O-N 3.17Å; M80-A83 CarbonylContact O-C 3.55Å; M80-A83 PolarHBondContact O-N 3.39Å; M80-A83 VanDerWaalsContact O-N 3.16Å; A83-Q86 PolarHBondContact O-N 2.93Å; A83-M87 VanDerWaalsContact O-CB 3.31Å; A83-M87 WeakPolarHBondContact O-CB 3.37Å; A83-M87 PolarHBondContact O-N 3.35Å |
| 84 | E | 94.8 | Very high | 95.4 | Very high | 113 Ų | 113 | 106.6 Ų | 106.6 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 173.8 | -78.4 | -179.7 | -176.2 | 0 | 0 | 111.3 | M80 E81 Q86 M87 N88 | M80-E84 WeakPolarHBondContact O-CB 3.27Å; M80-E84 WeakPolarHBondContact O-CG 3.37Å; M80-E84 PolarHBondContact O-N 3.15Å; E81-E84 PolarHBondContact O-N 2.79Å; E84-Q86 PolarHBondContact O-N 2.71Å; E84-M87 PolarHBondContact O-N 3.1Å; E84-N88 WeakPolarHBondContact O-CB 3.38Å; E84-N88 VanDerWaalsContact O-CG 3.27Å; E84-N88 PolarHBondContact O-N 3.39Å; E84-N88 PolarHBondContact O-ND2 3.31Å |
| 85 | Y | 95 | Very high | 95.4 | Very high | 162 Ų | 162 | 107.4 Ų | 107.4 | 64% | 0.635 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -44.6 | 175.3 | 179.5 | -100.6 | 0 | 0 | 0 | 112.1 | E81 V82 N88 K89 | E81-Y85 WeakPolarHBondContact O-CB 3.35Å; E81-Y85 PolarHBondContact O-N 2.81Å; V82-Y85 PolarHBondContact O-N 2.82Å; Y85-N88 PolarHBondContact O-N 3.46Å; Y85-K89 WeakPolarHBondContact O-CB 3.49Å; Y85-K89 PolarHBondContact O-N 2.94Å |
| 86 | Q | 95.3 | Very high | 95.3 | Very high | 116 Ų | 116 | 109.7 Ų | 109.7 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 176 | -73.7 | 176 | -5 | 0 | 0 | 112.1 | V82 A83 E84 K89 L90 | V82-Q86 WeakPolarHBondContact O-CB 3.38Å; V82-Q86 VanDerWaalsContact O-CG 3.29Å; V82-Q86 WeakPolarHBondContact O-CG 3.3Å; V82-Q86 PolarHBondContact O-N 3.41Å; A83-Q86 PolarHBondContact O-N 2.93Å; E84-Q86 PolarHBondContact O-N 2.71Å; Q86-K89 PolarHBondContact O-N 3.39Å; Q86-L90 WeakPolarHBondContact O-CG 3.4Å; Q86-L90 PolarHBondContact O-N 2.95Å |
| 87 | M | 95.3 | Very high | 95.2 | Very high | 116 Ų | 116 | 111.5 Ų | 111.5 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61 | -47.8 | 175.7 | -178.7 | 63.5 | 110.4 | 0 | 0 | 111 | A83 E84 K89 L90 I91 | A83-M87 VanDerWaalsContact O-CB 3.31Å; A83-M87 WeakPolarHBondContact O-CB 3.37Å; A83-M87 PolarHBondContact O-N 3.35Å; E84-M87 PolarHBondContact O-N 3.1Å; M87-K89 VanDerWaalsContact C-N 3.32Å; M87-K89 PolarHBondContact O-N 2.89Å; M87-L90 PolarHBondContact O-N 3.27Å; M87-I91 HydrophobicContact CG-CD1 3.98Å; M87-I91 VanDerWaalsContact O-CG1 3.32Å; M87-I91 WeakPolarHBondContact O-CG1 3.49Å; M87-I91 PolarHBondContact O-N 3.34Å; M87-I91 HydrophobicContact SD-CD1 4.42Å |
| 88 | N | 96.6 | Very high | 95.1 | Very high | 94 Ų | 94 | 109.7 Ų | 109.7 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61 | -41 | 177.3 | -74.4 | -30.4 | 0 | 0 | 0 | 111.7 | E84 Y85 L90 I91 C92 | E84-N88 WeakPolarHBondContact O-CB 3.38Å; E84-N88 VanDerWaalsContact O-CG 3.27Å; E84-N88 PolarHBondContact O-N 3.39Å; E84-N88 PolarHBondContact O-ND2 3.31Å; Y85-N88 PolarHBondContact O-N 3.46Å; N88-L90 PolarHBondContact O-N 2.83Å; N88-I91 PolarHBondContact O-N 2.94Å; N88-C92 PolarHBondContact O-N 3.01Å; N88-C92 PolarHBondContact O-SG 3.5Å; N88-C92 VanDerWaalsContact O-SG 3.35Å |
| 89 | K | 95.7 | Very high | 94.9 | Very high | 124 Ų | 124 | 107.8 Ų | 107.8 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 174.6 | -174.1 | 174.5 | -179.6 | 179.1 | 0 | 112.4 | Y85 Q86 M87 I91 C92 L93 | Y85-K89 WeakPolarHBondContact O-CB 3.49Å; Y85-K89 PolarHBondContact O-N 2.94Å; Q86-K89 PolarHBondContact O-N 3.39Å; M87-K89 VanDerWaalsContact C-N 3.32Å; M87-K89 PolarHBondContact O-N 2.89Å; K89-I91 VanDerWaalsContact C-N 3.35Å; K89-C92 PolarHBondContact O-N 3.37Å; K89-L93 HydrophobicContact CG-CD1 4.37Å; K89-L93 WeakPolarHBondContact O-CG 3.49Å; K89-L93 PolarHBondContact O-N 3.46Å |
| 90 | L | 94.7 | Very high | 94.9 | Very high | 111 Ų | 111 | 105.9 Ų | 105.9 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.7 | -37.2 | 175.9 | -73.4 | 171.9 | 0 | 0 | 0 | 112.1 | Q86 M87 N88 R94 | Q86-L90 WeakPolarHBondContact O-CG 3.4Å; Q86-L90 PolarHBondContact O-N 2.95Å; M87-L90 PolarHBondContact O-N 3.27Å; N88-L90 PolarHBondContact O-N 2.83Å; L90-R94 WeakPolarHBondContact O-CB 3.23Å; L90-R94 PolarHBondContact O-N 2.86Å |
| 91 | I | 96.1 | Very high | 94.8 | Very high | 76 Ų | 76 | 104 Ų | 104 | 39% | 0.39 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 174.3 | -69.7 | 166.3 | 0 | 0 | 0 | 110.5 | M87 N88 K89 R94 N95 | M87-I91 HydrophobicContact CG-CD1 3.98Å; M87-I91 VanDerWaalsContact O-CG1 3.32Å; M87-I91 WeakPolarHBondContact O-CG1 3.49Å; M87-I91 PolarHBondContact O-N 3.34Å; M87-I91 HydrophobicContact SD-CD1 4.42Å; N88-I91 PolarHBondContact O-N 2.94Å; K89-I91 VanDerWaalsContact C-N 3.35Å; I91-R94 PolarHBondContact O-N 3.14Å; I91-N95 WeakPolarHBondContact O-CB 3.38Å; I91-N95 PolarHBondContact O-N 2.84Å; I91-N95 PolarHBondContact O-ND2 2.83Å; I91-N95 PolarHBondContact O-OD1 2.8Å |
| 92 | C | 94.8 | Very high | 94.7 | Very high | 70 Ų | 70 | 103.4 Ų | 103.4 | 47% | 0.473 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 176.9 | -67.9 | 0 | 0 | 0 | 0 | 112 | N88 K89 R94 N95 E96 | N88-C92 PolarHBondContact O-N 3.01Å; N88-C92 PolarHBondContact O-SG 3.5Å; N88-C92 VanDerWaalsContact O-SG 3.35Å; K89-C92 PolarHBondContact O-N 3.37Å; C92-R94 PolarHBondContact O-N 3.18Å; C92-N95 WeakPolarHBondContact O-CB 3.38Å; C92-N95 PolarHBondContact O-N 3.29Å; C92-N95 VanDerWaalsContact O-N 3.1Å; C92-E96 WeakPolarHBondContact O-CG 3.31Å; C92-E96 PolarHBondContact O-N 3.04Å |
| 93 | L | 95.1 | Very high | 94.7 | Very high | 75 Ų | 75 | 104.8 Ų | 104.8 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -43.6 | 178.4 | -72.3 | 171.2 | 0 | 0 | 0 | 112.1 | K89 N95 E96 E97 | K89-L93 HydrophobicContact CG-CD1 4.37Å; K89-L93 WeakPolarHBondContact O-CG 3.49Å; K89-L93 PolarHBondContact O-N 3.46Å; L93-N95 VanDerWaalsContact C-N 3.3Å; L93-N95 PolarHBondContact O-N 3.49Å; L93-E96 PolarHBondContact O-N 3.37Å; L93-E97 WeakPolarHBondContact O-CG 3.36Å; L93-E97 PolarHBondContact O-N 3.39Å |
| 94 | R | 94.3 | Very high | 94.7 | Very high | 168 Ų | 168 | 104.6 Ų | 104.6 | 63% | 0.634 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -42.5 | 175 | -173.9 | -151.2 | 169.1 | -166.7 | -3.7 | 111 | L90 I91 C92 E97 T98 | L90-R94 WeakPolarHBondContact O-CB 3.23Å; L90-R94 PolarHBondContact O-N 2.86Å; I91-R94 PolarHBondContact O-N 3.14Å; C92-R94 PolarHBondContact O-N 3.18Å; R94-E97 PolarHBondContact O-N 2.8Å; R94-T98 HydrophobicContact CG-CG2 4.48Å; R94-T98 VanDerWaalsContact O-CG2 3.25Å; R94-T98 WeakPolarHBondContact O-CG2 3.44Å; R94-T98 PolarHBondContact O-N 3.32Å; R94-T98 PolarHBondContact O-OG1 2.94Å |
| 95 | N | 95 | Very high | 94.7 | Very high | 83 Ų | 83 | 101.6 Ų | 101.6 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 179.4 | -70 | -16.7 | 0 | 0 | 0 | 111.3 | I91 C92 L93 T98 E99 | I91-N95 WeakPolarHBondContact O-CB 3.38Å; I91-N95 PolarHBondContact O-N 2.84Å; I91-N95 PolarHBondContact O-ND2 2.83Å; I91-N95 PolarHBondContact O-OD1 2.8Å; C92-N95 WeakPolarHBondContact O-CB 3.38Å; C92-N95 PolarHBondContact O-N 3.29Å; C92-N95 VanDerWaalsContact O-N 3.1Å; L93-N95 VanDerWaalsContact C-N 3.3Å; L93-N95 PolarHBondContact O-N 3.49Å; N95-T98 WeakPolarHBondContact CA-OG1 3.32Å; N95-T98 PolarHBondContact O-N 3.2Å; N95-T98 PolarHBondContact O-OG1 3.44Å; N95-E99 WeakPolarHBondContact O-CB 3.31Å; N95-E99 PolarHBondContact O-N 3.4Å |
| 96 | E | 94.3 | Very high | 94.6 | Very high | 109 Ų | 109 | 99.7 Ų | 99.7 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.4 | -50 | 174.4 | -71.6 | 169.6 | -172.7 | 0 | 0 | 111.3 | C92 L93 T98 E99 E100 | C92-E96 WeakPolarHBondContact O-CG 3.31Å; C92-E96 PolarHBondContact O-N 3.04Å; L93-E96 PolarHBondContact O-N 3.37Å; E96-T98 VanDerWaalsContact C-N 3.31Å; E96-T98 PolarHBondContact O-N 2.85Å; E96-E99 PolarHBondContact O-N 2.88Å; E96-E99 VanDerWaalsContact O-N 3.14Å; E96-E100 PolarHBondContact O-N 2.91Å |
| 97 | E | 93.8 | Very high | 94.6 | Very high | 133 Ų | 133 | 99.9 Ų | 99.9 | 62% | 0.621 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -39.4 | 176.3 | -73.5 | 178.1 | 177.6 | 0 | 0 | 112.2 | L93 R94 A101 | L93-E97 WeakPolarHBondContact O-CG 3.36Å; L93-E97 PolarHBondContact O-N 3.39Å; R94-E97 PolarHBondContact O-N 2.8Å; E97-A101 VanDerWaalsContact O-CB 3.29Å; E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 2.86Å |
| 98 | T | 93.9 | Very high | 94.6 | Very high | 68 Ų | 68 | 99.5 Ų | 99.5 | 42% | 0.417 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.2 | -36 | 176.5 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | R94 N95 E96 Q102 | R94-T98 HydrophobicContact CG-CG2 4.48Å; R94-T98 VanDerWaalsContact O-CG2 3.25Å; R94-T98 WeakPolarHBondContact O-CG2 3.44Å; R94-T98 PolarHBondContact O-N 3.32Å; R94-T98 PolarHBondContact O-OG1 2.94Å; N95-T98 WeakPolarHBondContact CA-OG1 3.32Å; N95-T98 PolarHBondContact O-N 3.2Å; N95-T98 PolarHBondContact O-OG1 3.44Å; E96-T98 VanDerWaalsContact C-N 3.31Å; E96-T98 PolarHBondContact O-N 2.85Å; T98-Q102 WeakPolarHBondContact O-CB 3.39Å; T98-Q102 PolarHBondContact O-N 2.77Å |
| 99 | E | 93.6 | Very high | 94.5 | Very high | 103 Ų | 103 | 102.3 Ų | 102.3 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.1 | -42 | 177.6 | -163.9 | -171.6 | 149.8 | 0 | 0 | 111 | N95 E96 Q102 K103 | N95-E99 WeakPolarHBondContact O-CB 3.31Å; N95-E99 PolarHBondContact O-N 3.4Å; E96-E99 PolarHBondContact O-N 2.88Å; E96-E99 VanDerWaalsContact O-N 3.14Å; E99-Q102 PolarHBondContact O-N 2.97Å; E99-K103 WeakPolarHBondContact O-CG 3.47Å; E99-K103 PolarHBondContact O-N 2.89Å; E99-K103 WeakPolarHBondContact OE1-CE 3.43Å; E99-K103 IonicContact OE1-NZ 3.94Å; E99-K103 PolarHBondContact OE1-NZ 2.89Å |
| 100 | E | 93.8 | Very high | 94.4 | Very high | 137 Ų | 137 | 99.1 Ų | 99.1 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.1 | -44.7 | 173.4 | -73 | -173 | 174.2 | 0 | 0 | 111.8 | E96 Q102 K103 A104 | E96-E100 PolarHBondContact O-N 2.91Å; E100-Q102 VanDerWaalsContact C-N 3.29Å; E100-Q102 PolarHBondContact O-N 3.43Å; E100-K103 PolarHBondContact O-N 2.88Å; E100-A104 WeakPolarHBondContact O-CB 3.34Å; E100-A104 PolarHBondContact O-N 2.74Å |
| 101 | A | 93.6 | Very high | 94.5 | Very high | 59 Ų | 59 | 96.1 Ų | 96.1 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | E97 S105 | E97-A101 VanDerWaalsContact O-CB 3.29Å; E97-A101 WeakPolarHBondContact O-CB 3.47Å; E97-A101 PolarHBondContact O-N 2.86Å; A101-S105 VanDerWaalsContact O-CB 3.32Å; A101-S105 WeakPolarHBondContact O-CB 3.32Å; A101-S105 PolarHBondContact O-N 3.42Å |
| 102 | Q | 94.1 | Very high | 94.4 | Very high | 123 Ų | 123 | 96.4 Ų | 96.4 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.6 | -44.9 | 176.4 | -173.8 | 170.2 | -12.6 | 0 | 0 | 111.8 | T98 E99 E100 S105 E106 | T98-Q102 WeakPolarHBondContact O-CB 3.39Å; T98-Q102 PolarHBondContact O-N 2.77Å; E99-Q102 PolarHBondContact O-N 2.97Å; E100-Q102 VanDerWaalsContact C-N 3.29Å; E100-Q102 PolarHBondContact O-N 3.43Å; Q102-S105 WeakPolarHBondContact O-CB 3.22Å; Q102-S105 PolarHBondContact O-N 3.15Å; Q102-E106 WeakPolarHBondContact O-CB 3.22Å; Q102-E106 PolarHBondContact O-N 3.41Å |
| 103 | K | 94.5 | Very high | 94.4 | Very high | 107 Ų | 107 | 95.8 Ų | 95.8 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 174.2 | -73.3 | 170.9 | -175.6 | 163.4 | 0 | 111.4 | E99 E100 S105 E106 I107 | E99-K103 WeakPolarHBondContact O-CG 3.47Å; E99-K103 PolarHBondContact O-N 2.89Å; E99-K103 WeakPolarHBondContact OE1-CE 3.43Å; E99-K103 IonicContact OE1-NZ 3.94Å; E99-K103 PolarHBondContact OE1-NZ 2.89Å; E100-K103 PolarHBondContact O-N 2.88Å; K103-S105 PolarHBondContact O-N 3.2Å; K103-E106 PolarHBondContact O-N 2.74Å; K103-I107 WeakPolarHBondContact O-CG1 3.3Å; K103-I107 PolarHBondContact O-N 3.34Å |
| 104 | A | 94.8 | Very high | 94.3 | Very high | 50 Ų | 50 | 98.3 Ų | 98.3 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | E100 E106 I107 L108 | E100-A104 WeakPolarHBondContact O-CB 3.34Å; E100-A104 PolarHBondContact O-N 2.74Å; A104-E106 VanDerWaalsContact C-N 3.33Å; A104-E106 PolarHBondContact O-N 2.78Å; A104-I107 PolarHBondContact O-N 3.42Å; A104-L108 WeakPolarHBondContact O-CG 3.22Å; A104-L108 PolarHBondContact O-N 2.89Å |
| 105 | S | 93.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 95.1 Ų | 95.1 | 34% | 0.343 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -37.9 | 175 | -179 | 0 | 0 | 0 | 0 | 112.6 | A101 Q102 K103 L108 R109 | A101-S105 VanDerWaalsContact O-CB 3.32Å; A101-S105 WeakPolarHBondContact O-CB 3.32Å; A101-S105 PolarHBondContact O-N 3.42Å; Q102-S105 WeakPolarHBondContact O-CB 3.22Å; Q102-S105 PolarHBondContact O-N 3.15Å; K103-S105 PolarHBondContact O-N 3.2Å; S105-L108 PolarHBondContact O-N 3.31Å; S105-R109 WeakPolarHBondContact O-CB 3.37Å; S105-R109 WeakPolarHBondContact O-CG 3.37Å; S105-R109 PolarHBondContact O-N 2.94Å; S105-R109 PolarHBondContact O-NE 3.27Å; S105-R109 PolarHBondContact OG-NH2 3.41Å |
| 106 | E | 94.6 | Very high | 94.3 | Very high | 122 Ų | 122 | 99.5 Ų | 99.5 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.4 | -41.6 | 177.6 | -168.8 | 164.4 | -161.2 | 0 | 0 | 112 | Q102 K103 A104 L108 R109 S110 | Q102-E106 WeakPolarHBondContact O-CB 3.22Å; Q102-E106 PolarHBondContact O-N 3.41Å; K103-E106 PolarHBondContact O-N 2.74Å; A104-E106 VanDerWaalsContact C-N 3.33Å; A104-E106 PolarHBondContact O-N 2.78Å; E106-L108 PolarHBondContact O-N 3.4Å; E106-R109 PolarHBondContact O-N 3.18Å; E106-S110 WeakPolarHBondContact O-CB 3.35Å; E106-S110 PolarHBondContact O-N 2.9Å |
| 107 | I | 94.9 | Very high | 94.3 | Very high | 121 Ų | 121 | 99.7 Ų | 99.7 | 62% | 0.621 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.4 | -44.8 | 172.9 | -67.3 | 166.7 | 0 | 0 | 0 | 110.8 | K103 A104 S110 S111 | K103-I107 WeakPolarHBondContact O-CG1 3.3Å; K103-I107 PolarHBondContact O-N 3.34Å; A104-I107 PolarHBondContact O-N 3.42Å; I107-S110 PolarHBondContact O-N 2.91Å; I107-S111 PolarHBondContact O-N 2.84Å |
| 108 | L | 94.4 | Very high | 94.4 | Very high | 108 Ų | 108 | 100.5 Ų | 100.5 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 176.7 | -73 | 173.2 | 0 | 0 | 0 | 112.3 | A104 S105 E106 S110 S111 I112 | A104-L108 WeakPolarHBondContact O-CG 3.22Å; A104-L108 PolarHBondContact O-N 2.89Å; S105-L108 PolarHBondContact O-N 3.31Å; E106-L108 PolarHBondContact O-N 3.4Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.25Å; L108-S111 PolarHBondContact O-N 3.46Å; L108-S111 PolarHBondContact O-OG 2.86Å; L108-I112 WeakPolarHBondContact O-CB 3.35Å; L108-I112 VanDerWaalsContact O-CG1 3.25Å; L108-I112 WeakPolarHBondContact O-CG1 3.2Å; L108-I112 PolarHBondContact O-N 3.34Å |
| 109 | R | 95.2 | Very high | 94.4 | Very high | 152 Ų | 152 | 104.8 Ų | 104.8 | 57% | 0.574 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 174.4 | -79.7 | -176.2 | -83.1 | -177.7 | -2.2 | 111.6 | S105 E106 I112 A113 | S105-R109 WeakPolarHBondContact O-CB 3.37Å; S105-R109 WeakPolarHBondContact O-CG 3.37Å; S105-R109 PolarHBondContact O-N 2.94Å; S105-R109 PolarHBondContact O-NE 3.27Å; S105-R109 PolarHBondContact OG-NH2 3.41Å; E106-R109 PolarHBondContact O-N 3.18Å; R109-I112 PolarHBondContact O-N 3.39Å; R109-A113 WeakPolarHBondContact O-CB 3.26Å; R109-A113 PolarHBondContact O-N 3.46Å |
| 110 | S | 94.1 | Very high | 94.5 | Very high | 57 Ų | 57 | 103.4 Ų | 103.4 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 175.3 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | E106 I107 L108 A113 K114 | E106-S110 WeakPolarHBondContact O-CB 3.35Å; E106-S110 PolarHBondContact O-N 2.9Å; I107-S110 PolarHBondContact O-N 2.91Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.25Å; S110-A113 PolarHBondContact O-N 2.83Å; S110-K114 WeakPolarHBondContact O-CG 3.31Å; S110-K114 PolarHBondContact O-N 3.47Å |
| 111 | S | 95.5 | Very high | 94.5 | Very high | 49 Ų | 49 | 99.7 Ų | 99.7 | 34% | 0.343 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -40.6 | 178.3 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | I107 L108 K114 L115 | I107-S111 PolarHBondContact O-N 2.84Å; L108-S111 PolarHBondContact O-N 3.46Å; L108-S111 PolarHBondContact O-OG 2.86Å; S111-K114 PolarHBondContact O-N 3.27Å; S111-L115 WeakPolarHBondContact O-CG 3.36Å; S111-L115 PolarHBondContact O-N 3.03Å |
| 112 | I | 94 | Very high | 94.6 | Very high | 81 Ų | 81 | 101.1 Ų | 101.1 | 42% | 0.415 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 174.1 | -69.7 | 167.3 | 0 | 0 | 0 | 110.8 | L108 R109 K114 L115 R116 | L108-I112 WeakPolarHBondContact O-CB 3.35Å; L108-I112 VanDerWaalsContact O-CG1 3.25Å; L108-I112 WeakPolarHBondContact O-CG1 3.2Å; L108-I112 PolarHBondContact O-N 3.34Å; R109-I112 PolarHBondContact O-N 3.39Å; I112-K114 PolarHBondContact O-N 2.9Å; I112-L115 PolarHBondContact O-N 2.86Å; I112-R116 HydrophobicContact CG2-CG 4.48Å; I112-R116 WeakPolarHBondContact O-CG 3.32Å; I112-R116 PolarHBondContact O-N 3.35Å |
| 113 | A | 94.7 | Very high | 94.7 | Very high | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R109 S110 L115 R116 E117 | R109-A113 WeakPolarHBondContact O-CB 3.26Å; R109-A113 PolarHBondContact O-N 3.46Å; S110-A113 PolarHBondContact O-N 2.83Å; A113-L115 VanDerWaalsContact C-N 3.32Å; A113-L115 PolarHBondContact O-N 3.38Å; A113-R116 PolarHBondContact O-N 3.5Å; A113-E117 PolarHBondContact O-N 3.32Å |
| 114 | K | 94.4 | Very high | 94.6 | Very high | 129 Ų | 129 | 101.4 Ų | 101.4 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63 | -34.6 | 175.4 | -70.4 | 175.6 | -174.8 | -179.2 | 0 | 113.2 | S110 S111 I112 R118 | S110-K114 WeakPolarHBondContact O-CG 3.31Å; S110-K114 PolarHBondContact O-N 3.47Å; S111-K114 PolarHBondContact O-N 3.27Å; I112-K114 PolarHBondContact O-N 2.9Å; K114-R118 WeakPolarHBondContact O-CG 3.38Å; K114-R118 PolarHBondContact O-N 3.47Å; K114-R118 VanDerWaalsContact O-N 3.12Å |
| 115 | L | 94.4 | Very high | 94.6 | Very high | 101 Ų | 101 | 103.8 Ų | 103.8 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 175 | -76.3 | 169.6 | 0 | 0 | 0 | 112.1 | S111 I112 A113 R118 Y119 | S111-L115 WeakPolarHBondContact O-CG 3.36Å; S111-L115 PolarHBondContact O-N 3.03Å; I112-L115 PolarHBondContact O-N 2.86Å; A113-L115 VanDerWaalsContact C-N 3.32Å; A113-L115 PolarHBondContact O-N 3.38Å; L115-R118 PolarHBondContact O-N 3.05Å; L115-Y119 WeakPolarHBondContact O-CB 3.44Å; L115-Y119 PolarHBondContact O-N 3.4Å |
| 116 | R | 94.6 | Very high | 94.6 | Very high | 175 Ų | 175 | 106.5 Ų | 106.5 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 174.6 | -73.9 | 176.9 | 177 | -178.5 | -0.7 | 111.7 | I112 A113 Y119 I120 | I112-R116 HydrophobicContact CG2-CG 4.48Å; I112-R116 WeakPolarHBondContact O-CG 3.32Å; I112-R116 PolarHBondContact O-N 3.35Å; A113-R116 PolarHBondContact O-N 3.5Å; R116-Y119 PolarHBondContact O-N 2.91Å; R116-I120 VanDerWaalsContact O-CG1 3.3Å; R116-I120 WeakPolarHBondContact O-CG1 3.42Å; R116-I120 PolarHBondContact O-N 3.45Å |
| 117 | E | 94.3 | Very high | 94.6 | Very high | 113 Ų | 113 | 105.1 Ų | 105.1 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 177.3 | -168.8 | 59.3 | -154.2 | 0 | 0 | 111.2 | A113 Y119 I120 V121 | A113-E117 PolarHBondContact O-N 3.32Å; E117-Y119 PolarHBondContact O-N 2.84Å; E117-I120 PolarHBondContact O-N 2.95Å; E117-I120 VanDerWaalsContact O-N 3.15Å; E117-V121 WeakPolarHBondContact O-CG2 3.28Å; E117-V121 PolarHBondContact O-N 3.27Å |
| 118 | R | 94.5 | Very high | 94.5 | Very high | 150 Ų | 150 | 103.1 Ų | 103.1 | 57% | 0.566 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -56.9 | -46.5 | 173.6 | -81.7 | -172.9 | -79.5 | -158.6 | 0.6 | 112.4 | K114 L115 I120 V121 D122 | K114-R118 WeakPolarHBondContact O-CG 3.38Å; K114-R118 PolarHBondContact O-N 3.47Å; K114-R118 VanDerWaalsContact O-N 3.12Å; L115-R118 PolarHBondContact O-N 3.05Å; R118-I120 VanDerWaalsContact C-N 3.31Å; R118-I120 PolarHBondContact O-N 2.74Å; R118-V121 PolarHBondContact O-N 3.18Å; R118-D122 WeakPolarHBondContact O-CB 3.37Å; R118-D122 VanDerWaalsContact O-CG 3.23Å; R118-D122 PolarHBondContact O-N 3.44Å |
| 119 | Y | 95.1 | Very high | 94.5 | Very high | 158 Ų | 158 | 103.4 Ų | 103.4 | 62% | 0.62 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.5 | -39.7 | 176.6 | 175 | -96.8 | 0 | 0 | 0 | 112.7 | L115 R116 E117 K123 | L115-Y119 WeakPolarHBondContact O-CB 3.44Å; L115-Y119 PolarHBondContact O-N 3.4Å; R116-Y119 PolarHBondContact O-N 2.91Å; E117-Y119 PolarHBondContact O-N 2.84Å; Y119-K123 HydrophobicContact CE1-CD 4.39Å; Y119-K123 WeakPolarHBondContact O-CB 3.41Å; Y119-K123 PolarHBondContact O-N 3.09Å |
| 120 | I | 95.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 100.6 Ų | 100.6 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 177.5 | -69.9 | 165.3 | 0 | 0 | 0 | 111 | R116 E117 R118 K124 | R116-I120 VanDerWaalsContact O-CG1 3.3Å; R116-I120 WeakPolarHBondContact O-CG1 3.42Å; R116-I120 PolarHBondContact O-N 3.45Å; E117-I120 PolarHBondContact O-N 2.95Å; E117-I120 VanDerWaalsContact O-N 3.15Å; R118-I120 VanDerWaalsContact C-N 3.31Å; R118-I120 PolarHBondContact O-N 2.74Å; I120-K124 HydrophobicContact CG2-CD 4.46Å; I120-K124 WeakPolarHBondContact O-CG 3.27Å; I120-K124 PolarHBondContact O-N 3.24Å |
| 121 | V | 94.2 | Very high | 94.3 | Very high | 60 Ų | 60 | 101 Ų | 101 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -51.7 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | E117 R118 K123 K124 E125 | E117-V121 WeakPolarHBondContact O-CG2 3.28Å; E117-V121 PolarHBondContact O-N 3.27Å; R118-V121 PolarHBondContact O-N 3.18Å; V121-K123 VanDerWaalsContact C-N 3.27Å; V121-K123 PolarHBondContact O-N 3.38Å; V121-K124 PolarHBondContact O-N 3.29Å; V121-K124 VanDerWaalsContact O-N 3.09Å; V121-E125 PolarHBondContact O-N 3.48Å |
| 122 | D | 95 | Very high | 94.2 | Very high | 88 Ų | 88 | 101.5 Ų | 101.5 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.3 | -41.1 | 178.8 | -67.6 | -13.3 | 0 | 0 | 0 | 111.3 | R118 E125 L126 | R118-D122 WeakPolarHBondContact O-CB 3.37Å; R118-D122 VanDerWaalsContact O-CG 3.23Å; R118-D122 PolarHBondContact O-N 3.44Å; D122-E125 PolarHBondContact O-N 3.47Å; D122-L126 WeakPolarHBondContact O-CB 3.43Å; D122-L126 VanDerWaalsContact O-CG 3.31Å; D122-L126 WeakPolarHBondContact O-CG 3.49Å; D122-L126 PolarHBondContact O-N 3.29Å |
| 123 | K | 95.9 | Very high | 94.1 | Very high | 100 Ų | 100 | 101.8 Ų | 101.8 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -48.1 | 175.1 | 179.5 | 179.5 | 170.2 | -179.1 | 0 | 111.6 | Y119 V121 E125 L126 E127 | Y119-K123 HydrophobicContact CE1-CD 4.39Å; Y119-K123 WeakPolarHBondContact O-CB 3.41Å; Y119-K123 PolarHBondContact O-N 3.09Å; V121-K123 VanDerWaalsContact C-N 3.27Å; V121-K123 PolarHBondContact O-N 3.38Å; K123-E125 VanDerWaalsContact C-N 3.34Å; K123-E125 PolarHBondContact O-N 2.87Å; K123-L126 PolarHBondContact O-N 2.87Å; K123-E127 WeakPolarHBondContact CE-OE1 3.37Å; K123-E127 HydrophobicContact CG-CG 4.48Å; K123-E127 IonicContact NZ-OE1 2.68Å; K123-E127 WeakPolarHBondContact O-CB 3.43Å; K123-E127 VanDerWaalsContact O-CG 3.32Å; K123-E127 WeakPolarHBondContact O-CG 3.31Å; K123-E127 PolarHBondContact O-N 3.3Å |
| 124 | K | 94.1 | Very high | 94 | Very high | 137 Ų | 137 | 104.1 Ų | 104.1 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.4 | -40.3 | 177.5 | -77.1 | 178.9 | 178.5 | 177.9 | 0 | 112 | I120 V121 E127 S128 | I120-K124 HydrophobicContact CG2-CD 4.46Å; I120-K124 WeakPolarHBondContact O-CG 3.27Å; I120-K124 PolarHBondContact O-N 3.24Å; V121-K124 PolarHBondContact O-N 3.29Å; V121-K124 VanDerWaalsContact O-N 3.09Å; K124-E127 PolarHBondContact O-N 3.49Å; K124-S128 WeakPolarHBondContact O-CB 3.39Å; K124-S128 PolarHBondContact O-N 2.99Å |
| 125 | E | 92.9 | Very high | 93.8 | Very high | 100 Ų | 100 | 103 Ų | 103 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 176.3 | -73.1 | -171.9 | -175.8 | 0 | 0 | 112.1 | V121 D122 K123 S128 K129 | V121-E125 PolarHBondContact O-N 3.48Å; D122-E125 PolarHBondContact O-N 3.47Å; K123-E125 VanDerWaalsContact C-N 3.34Å; K123-E125 PolarHBondContact O-N 2.87Å; E125-S128 PolarHBondContact O-N 3.43Å; E125-K129 WeakPolarHBondContact O-CG 3.46Å; E125-K129 PolarHBondContact O-N 2.85Å |
| 126 | L | 94 | Very high | 93.7 | Very high | 105 Ų | 105 | 102.6 Ų | 102.6 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 175.9 | -72.5 | 171.9 | 0 | 0 | 0 | 111.9 | D122 K123 S128 K129 I130 | D122-L126 WeakPolarHBondContact O-CB 3.43Å; D122-L126 VanDerWaalsContact O-CG 3.31Å; D122-L126 WeakPolarHBondContact O-CG 3.49Å; D122-L126 PolarHBondContact O-N 3.29Å; K123-L126 PolarHBondContact O-N 2.87Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 3.04Å; L126-K129 PolarHBondContact O-N 3.13Å; L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.31Å; L126-I130 PolarHBondContact O-N 3.37Å |
| 127 | E | 95.6 | Very high | 93.4 | Very high | 93 Ų | 93 | 101.7 Ų | 101.7 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 174.2 | -75 | 170.8 | 168.9 | 0 | 0 | 111.3 | K123 K124 I130 C131 | K123-E127 WeakPolarHBondContact CE-OE1 3.37Å; K123-E127 HydrophobicContact CG-CG 4.48Å; K123-E127 IonicContact NZ-OE1 2.68Å; K123-E127 WeakPolarHBondContact O-CB 3.43Å; K123-E127 VanDerWaalsContact O-CG 3.32Å; K123-E127 WeakPolarHBondContact O-CG 3.31Å; K123-E127 PolarHBondContact O-N 3.3Å; K124-E127 PolarHBondContact O-N 3.49Å; E127-I130 PolarHBondContact O-N 2.82Å; E127-C131 PolarHBondContact O-N 2.85Å; E127-C131 PolarHBondContact O-SG 3.25Å |
| 128 | S | 93 | Very high | 93.3 | Very high | 79 Ų | 79 | 102.2 Ų | 102.2 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64 | -40.6 | 175.4 | -179.2 | 0 | 0 | 0 | 0 | 112.5 | K124 E125 L126 C131 S132 | K124-S128 WeakPolarHBondContact O-CB 3.39Å; K124-S128 PolarHBondContact O-N 2.99Å; E125-S128 PolarHBondContact O-N 3.43Å; L126-S128 VanDerWaalsContact C-N 3.33Å; L126-S128 PolarHBondContact O-N 3.04Å; S128-C131 PolarHBondContact O-N 3.41Å; S128-S132 PolarHBondContact O-N 2.96Å |
| 129 | K | 94.4 | Very high | 93.2 | Very high | 115 Ų | 115 | 96.8 Ų | 96.8 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.1 | -75.1 | 170.6 | -174.4 | 167.3 | 0 | 111.2 | E125 L126 C131 S132 I133 | E125-K129 WeakPolarHBondContact O-CG 3.46Å; E125-K129 PolarHBondContact O-N 2.85Å; L126-K129 PolarHBondContact O-N 3.13Å; K129-C131 PolarHBondContact O-N 2.92Å; K129-S132 PolarHBondContact O-N 3.49Å; K129-S132 PolarHBondContact O-OG 2.93Å; K129-I133 VanDerWaalsContact O-CG1 3.3Å; K129-I133 WeakPolarHBondContact O-CG1 3.33Å; K129-I133 PolarHBondContact O-N 3.44Å |
| 130 | I | 93.4 | Very high | 93.1 | Very high | 93 Ų | 93 | 95.4 Ų | 95.4 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 176.5 | -70.5 | 166.5 | 0 | 0 | 0 | 110.7 | L126 E127 S132 I133 Q134 | L126-I130 VanDerWaalsContact O-CG1 3.29Å; L126-I130 WeakPolarHBondContact O-CG1 3.31Å; L126-I130 PolarHBondContact O-N 3.37Å; E127-I130 PolarHBondContact O-N 2.82Å; I130-S132 PolarHBondContact O-N 2.87Å; I130-I133 PolarHBondContact O-N 3.05Å; I130-Q134 HydrophobicContact CG2-CG 4.45Å; I130-Q134 WeakPolarHBondContact O-CG 3.49Å; I130-Q134 PolarHBondContact O-N 3.05Å |
| 131 | C | 91.8 | Very high | 92.9 | Very high | 65 Ų | 65 | 96.5 Ų | 96.5 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 176.8 | -64.9 | 0 | 0 | 0 | 0 | 111.2 | E127 S128 K129 I133 Q134 D135 | E127-C131 PolarHBondContact O-N 2.85Å; E127-C131 PolarHBondContact O-SG 3.25Å; S128-C131 PolarHBondContact O-N 3.41Å; K129-C131 PolarHBondContact O-N 2.92Å; C131-I133 VanDerWaalsContact C-N 3.27Å; C131-I133 PolarHBondContact O-N 3.28Å; C131-Q134 WeakPolarHBondContact O-CB 3.29Å; C131-Q134 PolarHBondContact O-N 3.22Å; C131-Q134 VanDerWaalsContact O-N 3.15Å; C131-D135 VanDerWaalsContact O-CG 3.27Å; C131-D135 PolarHBondContact O-N 3.49Å |
| 132 | S | 91.9 | Very high | 92.8 | Very high | 59 Ų | 59 | 97.5 Ų | 97.5 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 178.7 | 73.6 | 0 | 0 | 0 | 0 | 112.8 | S128 K129 I130 T136 | S128-S132 PolarHBondContact O-N 2.96Å; K129-S132 PolarHBondContact O-N 3.49Å; K129-S132 PolarHBondContact O-OG 2.93Å; I130-S132 PolarHBondContact O-N 2.87Å; S132-T136 VanDerWaalsContact O-CG2 3.27Å; S132-T136 WeakPolarHBondContact O-CG2 3.5Å; S132-T136 PolarHBondContact O-N 3.38Å; S132-T136 VanDerWaalsContact O-N 3.1Å; S132-T136 PolarHBondContact O-OG1 3.45Å |
| 133 | I | 91.5 | Very high | 92.6 | Very high | 88 Ų | 88 | 97.8 Ų | 97.8 | 45% | 0.451 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.3 | -44 | 177.6 | -70.8 | 168.2 | 0 | 0 | 0 | 110 | K129 I130 C131 T136 Y137 | K129-I133 VanDerWaalsContact O-CG1 3.3Å; K129-I133 WeakPolarHBondContact O-CG1 3.33Å; K129-I133 PolarHBondContact O-N 3.44Å; I130-I133 PolarHBondContact O-N 3.05Å; C131-I133 VanDerWaalsContact C-N 3.27Å; C131-I133 PolarHBondContact O-N 3.28Å; I133-T136 PolarHBondContact O-N 2.77Å; I133-T136 PolarHBondContact O-OG1 3.14Å; I133-Y137 HydrophobicContact CG2-CD2 3.54Å; I133-Y137 HydrophobicContact CG2-CE2 3.41Å; I133-Y137 VanDerWaalsContact CG2-CE2 3.41Å; I133-Y137 VanDerWaalsContact O-CD2 3.23Å; I133-Y137 WeakPolarHBondContact O-CD2 3.11Å; I133-Y137 PolarHBondContact O-N 3.27Å |
| 134 | Q | 93.4 | Very high | 92.4 | Very high | 105 Ų | 105 | 97 Ų | 97 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.3 | -48.7 | 175.4 | -73.9 | 173.3 | -33.9 | 0 | 0 | 111.5 | I130 C131 T136 Y137 E138 | I130-Q134 HydrophobicContact CG2-CG 4.45Å; I130-Q134 WeakPolarHBondContact O-CG 3.49Å; I130-Q134 PolarHBondContact O-N 3.05Å; C131-Q134 WeakPolarHBondContact O-CB 3.29Å; C131-Q134 PolarHBondContact O-N 3.22Å; C131-Q134 VanDerWaalsContact O-N 3.15Å; Q134-T136 VanDerWaalsContact C-N 3.29Å; Q134-T136 PolarHBondContact O-N 3.35Å; Q134-Y137 PolarHBondContact O-N 3.26Å; Q134-Y137 VanDerWaalsContact O-N 3.12Å; Q134-E138 WeakPolarHBondContact O-CB 3.07Å; Q134-E138 WeakPolarHBondContact O-CG 3.42Å; Q134-E138 PolarHBondContact O-N 2.74Å |
| 135 | D | 91.4 | Very high | 92.4 | Very high | 107 Ų | 107 | 94.7 Ų | 94.7 | 57% | 0.572 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.1 | -41.3 | 178.1 | -65.5 | -20.8 | 0 | 0 | 0 | 111.6 | C131 G139 | C131-D135 VanDerWaalsContact O-CG 3.27Å; C131-D135 PolarHBondContact O-N 3.49Å; D135-G139 PolarHBondContact O-N 3.41Å |
| 136 | T | 91.3 | Very high | 92.4 | Very high | 92 Ų | 92 | 94.5 Ų | 94.5 | 56% | 0.564 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.7 | -39.7 | 177 | 60.3 | 0 | 0 | 0 | 0 | 113 | S132 I133 Q134 R140 | S132-T136 VanDerWaalsContact O-CG2 3.27Å; S132-T136 WeakPolarHBondContact O-CG2 3.5Å; S132-T136 PolarHBondContact O-N 3.38Å; S132-T136 VanDerWaalsContact O-N 3.1Å; S132-T136 PolarHBondContact O-OG1 3.45Å; I133-T136 PolarHBondContact O-N 2.77Å; I133-T136 PolarHBondContact O-OG1 3.14Å; Q134-T136 VanDerWaalsContact C-N 3.29Å; Q134-T136 PolarHBondContact O-N 3.35Å; T136-R140 WeakPolarHBondContact O-CB 3.37Å; T136-R140 PolarHBondContact O-N 3.13Å |
| 137 | Y | 88.5 | Confident | 92.4 | Very high | 155 Ų | 155 | 94.2 Ų | 94.2 | 61% | 0.608 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.3 | -37 | 177.6 | -79.7 | -62.8 | 0 | 0 | 0 | 111.8 | I133 Q134 R140 I141 | I133-Y137 HydrophobicContact CG2-CD2 3.54Å; I133-Y137 HydrophobicContact CG2-CE2 3.41Å; I133-Y137 VanDerWaalsContact CG2-CE2 3.41Å; I133-Y137 VanDerWaalsContact O-CD2 3.23Å; I133-Y137 WeakPolarHBondContact O-CD2 3.11Å; I133-Y137 PolarHBondContact O-N 3.27Å; Q134-Y137 PolarHBondContact O-N 3.26Å; Q134-Y137 VanDerWaalsContact O-N 3.12Å; Y137-R140 PolarHBondContact O-N 3.42Å; Y137-I141 WeakPolarHBondContact O-CB 3.37Å; Y137-I141 WeakPolarHBondContact O-CD1 3.49Å; Y137-I141 WeakPolarHBondContact O-CG1 3.43Å; Y137-I141 PolarHBondContact O-N 3.4Å |
| 138 | E | 93 | Very high | 92.2 | Very high | 124 Ų | 124 | 94.2 Ų | 94.2 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 171.7 | -74.9 | -175.8 | -176.9 | 0 | 0 | 111.2 | Q134 R140 I141 T142 | Q134-E138 WeakPolarHBondContact O-CB 3.07Å; Q134-E138 WeakPolarHBondContact O-CG 3.42Å; Q134-E138 PolarHBondContact O-N 2.74Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.32Å; E138-I141 PolarHBondContact O-N 3.19Å; E138-T142 WeakPolarHBondContact O-CG2 3.36Å; E138-T142 PolarHBondContact O-N 3.11Å; E138-T142 PolarHBondContact O-OG1 2.89Å |
| 139 | G | 91.8 | Very high | 92.1 | Very high | 36 Ų | 36 | 98.9 Ų | 98.9 | 37% | 0.371 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -54.6 | -47.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D135 I141 T142 E143 | D135-G139 PolarHBondContact O-N 3.41Å; G139-I141 PolarHBondContact O-N 3Å; G139-T142 PolarHBondContact O-N 3.15Å; G139-T142 PolarHBondContact O-OG1 3.32Å; G139-E143 PolarHBondContact O-N 3.49Å |
| 140 | R | 92.8 | Very high | 92 | Very high | 129 Ų | 129 | 98.2 Ų | 98.2 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 178.1 | -172.7 | 55.9 | 173.2 | 178.6 | -1.7 | 113.2 | T136 Y137 E138 E143 L144 | T136-R140 WeakPolarHBondContact O-CB 3.37Å; T136-R140 PolarHBondContact O-N 3.13Å; Y137-R140 PolarHBondContact O-N 3.42Å; E138-R140 VanDerWaalsContact C-N 3.34Å; E138-R140 PolarHBondContact O-N 3.32Å; R140-E143 IonicContact CZ-OE2 3.96Å; R140-E143 IonicContact NH1-OE1 3.68Å; R140-E143 IonicContact NH1-OE2 3.26Å; R140-E143 PolarHBondContact NH1-OE2 3.42Å; R140-E143 PolarHBondContact O-N 2.85Å; R140-L144 HydrophobicContact CG-CD1 4.2Å; R140-L144 WeakPolarHBondContact O-CB 3.17Å; R140-L144 VanDerWaalsContact O-CG 3.29Å; R140-L144 WeakPolarHBondContact O-CG 3.46Å; R140-L144 PolarHBondContact O-N 2.99Å |
| 141 | I | 91.3 | Very high | 91.8 | Very high | 96 Ų | 96 | 97.1 Ų | 97.1 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 176.1 | -72.9 | 165.4 | 0 | 0 | 0 | 110.3 | Y137 E138 G139 L144 N145 | Y137-I141 WeakPolarHBondContact O-CB 3.37Å; Y137-I141 WeakPolarHBondContact O-CD1 3.49Å; Y137-I141 WeakPolarHBondContact O-CG1 3.43Å; Y137-I141 PolarHBondContact O-N 3.4Å; E138-I141 PolarHBondContact O-N 3.19Å; G139-I141 PolarHBondContact O-N 3Å; I141-L144 PolarHBondContact O-N 3.22Å; I141-N145 WeakPolarHBondContact CG2-ND2 3.29Å; I141-N145 WeakPolarHBondContact O-CB 3.46Å; I141-N145 VanDerWaalsContact O-CG 3.29Å; I141-N145 PolarHBondContact O-N 3.16Å; I141-N145 PolarHBondContact O-ND2 2.78Å; I141-N145 VanDerWaalsContact O-ND2 3.14Å |
| 142 | T | 92 | Very high | 91.8 | Very high | 81 Ų | 81 | 98.2 Ų | 98.2 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 177 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | E138 G139 N145 N146 | E138-T142 WeakPolarHBondContact O-CG2 3.36Å; E138-T142 PolarHBondContact O-N 3.11Å; E138-T142 PolarHBondContact O-OG1 2.89Å; G139-T142 PolarHBondContact O-N 3.15Å; G139-T142 PolarHBondContact O-OG1 3.32Å; T142-N145 PolarHBondContact O-N 3.21Å; T142-N146 VanDerWaalsContact O-CG 3.28Å; T142-N146 PolarHBondContact O-N 3.43Å; T142-N146 PolarHBondContact O-ND2 3.33Å |
| 143 | E | 91.3 | Very high | 91.7 | Very high | 94 Ų | 94 | 101.3 Ų | 101.3 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -47.3 | 174.9 | -167.1 | -173.3 | -172.7 | 0 | 0 | 111.9 | G139 R140 N145 N146 I147 | G139-E143 PolarHBondContact O-N 3.49Å; R140-E143 IonicContact CZ-OE2 3.96Å; R140-E143 IonicContact NH1-OE1 3.68Å; R140-E143 IonicContact NH1-OE2 3.26Å; R140-E143 PolarHBondContact NH1-OE2 3.42Å; R140-E143 PolarHBondContact O-N 2.85Å; E143-N145 VanDerWaalsContact C-N 3.34Å; E143-N145 PolarHBondContact O-N 2.93Å; E143-N146 WeakPolarHBondContact O-CB 3.47Å; E143-N146 PolarHBondContact O-N 2.93Å; E143-I147 HydrophobicContact CG-CD1 4.38Å; E143-I147 WeakPolarHBondContact O-CG1 3.28Å; E143-I147 PolarHBondContact O-N 2.96Å |
| 144 | L | 90.6 | Very high | 91.7 | Very high | 85 Ų | 85 | 100.7 Ų | 100.7 | 45% | 0.445 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 176.7 | -73 | 171.7 | 0 | 0 | 0 | 112.3 | R140 I141 N146 I147 L148 | R140-L144 HydrophobicContact CG-CD1 4.2Å; R140-L144 WeakPolarHBondContact O-CB 3.17Å; R140-L144 VanDerWaalsContact O-CG 3.29Å; R140-L144 WeakPolarHBondContact O-CG 3.46Å; R140-L144 PolarHBondContact O-N 2.99Å; I141-L144 PolarHBondContact O-N 3.22Å; L144-N146 VanDerWaalsContact C-N 3.33Å; L144-N146 PolarHBondContact O-N 2.88Å; L144-I147 PolarHBondContact O-N 3.34Å; L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 PolarHBondContact O-N 2.79Å |
| 145 | N | 94 | Very high | 91.7 | Very high | 87 Ų | 87 | 101.5 Ų | 101.5 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 174.7 | -78.1 | -35.2 | 0 | 0 | 0 | 112.1 | I141 T142 E143 L148 R149 | I141-N145 WeakPolarHBondContact CG2-ND2 3.29Å; I141-N145 WeakPolarHBondContact O-CB 3.46Å; I141-N145 VanDerWaalsContact O-CG 3.29Å; I141-N145 PolarHBondContact O-N 3.16Å; I141-N145 PolarHBondContact O-ND2 2.78Å; I141-N145 VanDerWaalsContact O-ND2 3.14Å; T142-N145 PolarHBondContact O-N 3.21Å; E143-N145 VanDerWaalsContact C-N 3.34Å; E143-N145 PolarHBondContact O-N 2.93Å; N145-L148 PolarHBondContact O-N 2.95Å; N145-R149 VanDerWaalsContact O-CB 3.32Å; N145-R149 WeakPolarHBondContact O-CB 3.32Å; N145-R149 PolarHBondContact O-N 3.46Å |
| 146 | N | 93.1 | Very high | 91.8 | Very high | 97 Ų | 97 | 101.8 Ų | 101.8 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 174.8 | -72.8 | -26.5 | 0 | 0 | 0 | 111.7 | T142 E143 L144 R149 Q150 | T142-N146 VanDerWaalsContact O-CG 3.28Å; T142-N146 PolarHBondContact O-N 3.43Å; T142-N146 PolarHBondContact O-ND2 3.33Å; E143-N146 WeakPolarHBondContact O-CB 3.47Å; E143-N146 PolarHBondContact O-N 2.93Å; L144-N146 VanDerWaalsContact C-N 3.33Å; L144-N146 PolarHBondContact O-N 2.88Å; N146-R149 PolarHBondContact O-N 3.44Å; N146-Q150 WeakPolarHBondContact O-CB 3.39Å; N146-Q150 PolarHBondContact O-N 3.45Å |
| 147 | I | 93.5 | Very high | 91.7 | Very high | 99 Ų | 99 | 101.5 Ų | 101.5 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -44 | 175.3 | -66.1 | 167.3 | 0 | 0 | 0 | 110.6 | E143 L144 Q150 S151 | E143-I147 HydrophobicContact CG-CD1 4.38Å; E143-I147 WeakPolarHBondContact O-CG1 3.28Å; E143-I147 PolarHBondContact O-N 2.96Å; L144-I147 PolarHBondContact O-N 3.34Å; I147-Q150 PolarHBondContact O-N 3.4Å; I147-S151 WeakPolarHBondContact O-CB 3.3Å; I147-S151 PolarHBondContact O-N 3.22Å |
| 148 | L | 91.7 | Very high | 91.7 | Very high | 92 Ų | 92 | 99.4 Ų | 99.4 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -49.7 | 176.8 | -177.7 | 65.5 | 0 | 0 | 0 | 111.2 | L144 N145 Q150 S151 E152 | L144-L148 WeakPolarHBondContact O-CB 3.35Å; L144-L148 PolarHBondContact O-N 2.79Å; N145-L148 PolarHBondContact O-N 2.95Å; L148-Q150 VanDerWaalsContact C-N 3.29Å; L148-Q150 PolarHBondContact O-N 2.84Å; L148-S151 WeakPolarHBondContact O-CA 3.42Å; L148-S151 WeakPolarHBondContact O-CB 3.41Å; L148-S151 PolarHBondContact O-N 2.93Å; L148-S151 VanDerWaalsContact O-N 3.08Å; L148-E152 WeakPolarHBondContact O-CG 3.5Å; L148-E152 PolarHBondContact O-N 2.65Å |
| 149 | R | 92.2 | Very high | 91.5 | Very high | 178 Ų | 178 | 97.6 Ų | 97.6 | 67% | 0.672 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.9 | -38.8 | 178.6 | -169 | -177.1 | -79.1 | 169.5 | -6.4 | 111.9 | N145 N146 E152 K153 | N145-R149 VanDerWaalsContact O-CB 3.32Å; N145-R149 WeakPolarHBondContact O-CB 3.32Å; N145-R149 PolarHBondContact O-N 3.46Å; N146-R149 PolarHBondContact O-N 3.44Å; R149-E152 PolarHBondContact O-N 2.85Å; R149-K153 PolarHBondContact O-N 2.89Å |
| 150 | Q | 91.5 | Very high | 91.4 | Very high | 100 Ų | 100 | 98.4 Ų | 98.4 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 174.9 | -173.4 | 59.9 | 35.4 | 0 | 0 | 112.2 | N146 I147 L148 K153 N154 | N146-Q150 WeakPolarHBondContact O-CB 3.39Å; N146-Q150 PolarHBondContact O-N 3.45Å; I147-Q150 PolarHBondContact O-N 3.4Å; L148-Q150 VanDerWaalsContact C-N 3.29Å; L148-Q150 PolarHBondContact O-N 2.84Å; Q150-K153 PolarHBondContact O-N 3.22Å; Q150-N154 PolarHBondContact NE2-OD1 3.44Å; Q150-N154 WeakPolarHBondContact O-CB 3.41Å; Q150-N154 PolarHBondContact O-N 3.12Å; Q150-N154 PolarHBondContact O-ND2 3.27Å |
| 151 | S | 88.6 | Confident | 91.2 | Very high | 71 Ų | 71 | 99.1 Ų | 99.1 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.4 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | I147 L148 N154 R155 | I147-S151 WeakPolarHBondContact O-CB 3.3Å; I147-S151 PolarHBondContact O-N 3.22Å; L148-S151 WeakPolarHBondContact O-CA 3.42Å; L148-S151 WeakPolarHBondContact O-CB 3.41Å; L148-S151 PolarHBondContact O-N 2.93Å; L148-S151 VanDerWaalsContact O-N 3.08Å; S151-N154 PolarHBondContact O-N 2.77Å; S151-R155 WeakPolarHBondContact O-CB 3.17Å; S151-R155 PolarHBondContact O-N 3.26Å |
| 152 | E | 91.6 | Very high | 91 | Very high | 88 Ų | 88 | 98 Ų | 98 | 41% | 0.411 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.1 | -72.3 | 173.9 | 156 | 0 | 0 | 111.9 | L148 R149 N154 R155 E156 | L148-E152 WeakPolarHBondContact O-CG 3.5Å; L148-E152 PolarHBondContact O-N 2.65Å; R149-E152 PolarHBondContact O-N 2.85Å; E152-N154 VanDerWaalsContact C-N 3.33Å; E152-N154 PolarHBondContact O-N 3.41Å; E152-R155 WeakPolarHBondContact O-CB 3.22Å; E152-R155 PolarHBondContact O-N 3.27Å; E152-E156 WeakPolarHBondContact O-CG 3.48Å; E152-E156 PolarHBondContact O-N 2.91Å |
| 153 | K | 91.2 | Very high | 90.9 | Very high | 123 Ų | 123 | 100.5 Ų | 100.5 | 54% | 0.535 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 174.6 | -171.2 | 175.5 | -177.8 | 176 | 0 | 112 | R149 Q150 E156 N157 | R149-K153 PolarHBondContact O-N 2.89Å; Q150-K153 PolarHBondContact O-N 3.22Å; K153-E156 PolarHBondContact O-N 3.49Å; K153-N157 VanDerWaalsContact O-CG 3.26Å; K153-N157 PolarHBondContact O-N 3.36Å; K153-N157 PolarHBondContact O-ND2 2.95Å |
| 154 | N | 91.8 | Very high | 90.8 | Very high | 76 Ų | 76 | 99.9 Ų | 99.9 | 41% | 0.406 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 175.6 | -71.1 | -16 | 0 | 0 | 0 | 111.8 | Q150 S151 E152 N157 L158 | Q150-N154 PolarHBondContact NE2-OD1 3.44Å; Q150-N154 WeakPolarHBondContact O-CB 3.41Å; Q150-N154 PolarHBondContact O-N 3.12Å; Q150-N154 PolarHBondContact O-ND2 3.27Å; S151-N154 PolarHBondContact O-N 2.77Å; E152-N154 VanDerWaalsContact C-N 3.33Å; E152-N154 PolarHBondContact O-N 3.41Å; N154-N157 PolarHBondContact O-N 2.94Å; N154-L158 WeakPolarHBondContact O-CG 3.4Å; N154-L158 PolarHBondContact O-N 3.3Å |
| 155 | R | 92.9 | Very high | 90.5 | Very high | 122 Ų | 122 | 98.4 Ų | 98.4 | 46% | 0.46 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.4 | -177.6 | -173.6 | 59.8 | 68.9 | 6.8 | 111.7 | S151 E152 L158 L159 | S151-R155 WeakPolarHBondContact O-CB 3.17Å; S151-R155 PolarHBondContact O-N 3.26Å; E152-R155 WeakPolarHBondContact O-CB 3.22Å; E152-R155 PolarHBondContact O-N 3.27Å; R155-L158 PolarHBondContact O-N 3.38Å; R155-L159 HydrophobicContact CG-CD1 4.3Å; R155-L159 VanDerWaalsContact NH1-CD1 3.3Å; R155-L159 PolarHBondContact O-N 3.35Å |
| 156 | E | 92.4 | Very high | 90.2 | Very high | 113 Ų | 113 | 99.8 Ų | 99.8 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -43 | 175.8 | -75.4 | 176.6 | -179.3 | 0 | 0 | 112.3 | E152 K153 L158 L159 A160 | E152-E156 WeakPolarHBondContact O-CG 3.48Å; E152-E156 PolarHBondContact O-N 2.91Å; K153-E156 PolarHBondContact O-N 3.49Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.36Å; E156-L159 PolarHBondContact O-N 3.35Å; E156-A160 PolarHBondContact O-N 3.42Å |
| 157 | N | 89.8 | Confident | 90 | Very high | 85 Ų | 85 | 102 Ų | 102 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 173.8 | -72.5 | -27.5 | 0 | 0 | 0 | 112.2 | K153 N154 A160 K161 | K153-N157 VanDerWaalsContact O-CG 3.26Å; K153-N157 PolarHBondContact O-N 3.36Å; K153-N157 PolarHBondContact O-ND2 2.95Å; N154-N157 PolarHBondContact O-N 2.94Å; N157-A160 PolarHBondContact O-N 3.34Å; N157-K161 WeakPolarHBondContact O-CG 3.05Å; N157-K161 PolarHBondContact O-N 2.99Å |
| 158 | L | 87.8 | Confident | 89.8 | Confident | 112 Ų | 112 | 99.4 Ų | 99.4 | 59% | 0.586 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.4 | -40.8 | 175.4 | -73.7 | 170.9 | 0 | 0 | 0 | 112 | N154 R155 E156 K161 C162 | N154-L158 WeakPolarHBondContact O-CG 3.4Å; N154-L158 PolarHBondContact O-N 3.3Å; R155-L158 PolarHBondContact O-N 3.38Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.36Å; L158-K161 PolarHBondContact O-N 2.74Å; L158-C162 PolarHBondContact O-N 3.46Å |
| 159 | L | 89.5 | Confident | 89.6 | Confident | 86 Ų | 86 | 99.6 Ų | 99.6 | 45% | 0.45 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 174.5 | -85.5 | 162.4 | 0 | 0 | 0 | 112.1 | R155 E156 C162 K163 | R155-L159 HydrophobicContact CG-CD1 4.3Å; R155-L159 VanDerWaalsContact NH1-CD1 3.3Å; R155-L159 PolarHBondContact O-N 3.35Å; E156-L159 PolarHBondContact O-N 3.35Å; L159-C162 PolarHBondContact O-N 3.36Å; L159-K163 WeakPolarHBondContact O-CG 3.47Å; L159-K163 PolarHBondContact O-N 2.94Å |
| 160 | A | 89.7 | Confident | 89.4 | Confident | 53 Ų | 53 | 96.9 Ų | 96.9 | 44% | 0.438 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E156 N157 K163 T164 | E156-A160 PolarHBondContact O-N 3.42Å; N157-A160 PolarHBondContact O-N 3.34Å; A160-K163 PolarHBondContact O-N 3.41Å; A160-T164 PolarHBondContact O-N 3.5Å; A160-T164 PolarHBondContact O-OG1 2.96Å |
| 161 | K | 89.1 | Confident | 89.3 | Confident | 143 Ų | 143 | 97.5 Ų | 97.5 | 62% | 0.622 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -43.5 | 174.7 | -73.7 | 178 | -178.7 | -176.6 | 0 | 112.4 | N157 L158 K163 T164 S165 | N157-K161 WeakPolarHBondContact O-CG 3.05Å; N157-K161 PolarHBondContact O-N 2.99Å; L158-K161 PolarHBondContact O-N 2.74Å; K161-K163 PolarHBondContact O-N 3Å; K161-T164 WeakPolarHBondContact CA-OG1 3.39Å; K161-T164 PolarHBondContact O-N 3.35Å; K161-T164 PolarHBondContact O-OG1 3.34Å; K161-S165 PolarHBondContact O-N 3.42Å; K161-S165 PolarHBondContact O-OG 3.49Å; K161-S165 VanDerWaalsContact O-OG 3.11Å |
| 162 | C | 85.9 | Confident | 89.3 | Confident | 73 Ų | 73 | 97.3 Ų | 97.3 | 49% | 0.493 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 174.6 | -100.7 | 0 | 0 | 0 | 0 | 112.4 | L158 L159 T164 S165 E166 | L158-C162 PolarHBondContact O-N 3.46Å; L159-C162 PolarHBondContact O-N 3.36Å; C162-T164 VanDerWaalsContact C-N 3.35Å; C162-T164 PolarHBondContact O-N 3.44Å; C162-S165 WeakPolarHBondContact CA-OG 3.49Å; C162-S165 PolarHBondContact O-N 3.45Å; C162-S165 PolarHBondContact O-OG 3.38Å; C162-E166 WeakPolarHBondContact O-CB 3.46Å; C162-E166 WeakPolarHBondContact O-CG 3.43Å; C162-E166 PolarHBondContact O-N 2.96Å |
| 163 | K | 91.5 | Very high | 89.2 | Confident | 133 Ų | 133 | 97.6 Ų | 97.6 | 58% | 0.578 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 175.5 | -75.4 | -179.2 | 176.9 | -179.3 | 0 | 111.6 | L159 A160 K161 E166 F167 | L159-K163 WeakPolarHBondContact O-CG 3.47Å; L159-K163 PolarHBondContact O-N 2.94Å; A160-K163 PolarHBondContact O-N 3.41Å; K161-K163 PolarHBondContact O-N 3Å; K163-E166 PolarHBondContact O-N 3.29Å; K163-F167 WeakPolarHBondContact O-CD2 3.31Å; K163-F167 PolarHBondContact O-N 2.9Å |
| 164 | T | 88.8 | Confident | 89.2 | Confident | 82 Ų | 82 | 98.7 Ų | 98.7 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 176.8 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | A160 K161 C162 F167 T168 | A160-T164 PolarHBondContact O-N 3.5Å; A160-T164 PolarHBondContact O-OG1 2.96Å; K161-T164 WeakPolarHBondContact CA-OG1 3.39Å; K161-T164 PolarHBondContact O-N 3.35Å; K161-T164 PolarHBondContact O-OG1 3.34Å; C162-T164 VanDerWaalsContact C-N 3.35Å; C162-T164 PolarHBondContact O-N 3.44Å; T164-F167 PolarHBondContact O-N 3.19Å; T164-T168 PolarHBondContact O-N 3.41Å; T164-T168 PolarHBondContact O-OG1 2.86Å |
| 165 | S | 84.5 | Confident | 89.1 | Confident | 53 Ų | 53 | 99.4 Ų | 99.4 | 37% | 0.371 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.8 | -37 | 176.9 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | K161 C162 T168 I169 | K161-S165 PolarHBondContact O-N 3.42Å; K161-S165 PolarHBondContact O-OG 3.49Å; K161-S165 VanDerWaalsContact O-OG 3.11Å; C162-S165 WeakPolarHBondContact CA-OG 3.49Å; C162-S165 PolarHBondContact O-N 3.45Å; C162-S165 PolarHBondContact O-OG 3.38Å; S165-T168 PolarHBondContact O-N 3.39Å; S165-I169 WeakPolarHBondContact O-CB 3.45Å; S165-I169 VanDerWaalsContact O-CG1 3.29Å; S165-I169 WeakPolarHBondContact O-CG1 3.32Å; S165-I169 PolarHBondContact O-N 2.93Å |
| 166 | E | 87.4 | Confident | 88.9 | Confident | 116 Ų | 116 | 97.9 Ų | 97.9 | 54% | 0.542 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -46.7 | 171.2 | -80.5 | 178.8 | 173.6 | 0 | 0 | 112.4 | C162 K163 T168 I169 Q170 | C162-E166 WeakPolarHBondContact O-CB 3.46Å; C162-E166 WeakPolarHBondContact O-CG 3.43Å; C162-E166 PolarHBondContact O-N 2.96Å; K163-E166 PolarHBondContact O-N 3.29Å; E166-T168 VanDerWaalsContact C-N 3.28Å; E166-T168 PolarHBondContact O-N 2.87Å; E166-I169 PolarHBondContact O-N 3.45Å; E166-Q170 WeakPolarHBondContact O-CG 3.46Å; E166-Q170 PolarHBondContact O-N 3.29Å |
| 167 | F | 88.2 | Confident | 88.8 | Confident | 143 Ų | 143 | 95.2 Ų | 95.2 | 63% | 0.627 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.4 | -39.1 | 174.7 | -82.8 | -65.6 | 0 | 0 | 0 | 112.1 | K163 T164 Q170 K171 | K163-F167 WeakPolarHBondContact O-CD2 3.31Å; K163-F167 PolarHBondContact O-N 2.9Å; T164-F167 PolarHBondContact O-N 3.19Å; F167-Q170 PolarHBondContact O-N 3.42Å; F167-K171 PolarHBondContact O-N 2.9Å |
| 168 | T | 88.9 | Confident | 88.9 | Confident | 46 Ų | 46 | 95.3 Ų | 95.3 | 28% | 0.282 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 178.7 | -37.4 | 0 | 0 | 0 | 0 | 110.9 | T164 S165 E166 Q170 K171 L172 | T164-T168 PolarHBondContact O-N 3.41Å; T164-T168 PolarHBondContact O-OG1 2.86Å; S165-T168 PolarHBondContact O-N 3.39Å; E166-T168 VanDerWaalsContact C-N 3.28Å; E166-T168 PolarHBondContact O-N 2.87Å; T168-Q170 PolarHBondContact O-N 2.68Å; T168-K171 PolarHBondContact O-N 3.03Å; T168-L172 WeakPolarHBondContact O-CG 3.4Å; T168-L172 PolarHBondContact O-N 3.42Å |
| 169 | I | 87.6 | Confident | 88.9 | Confident | 95 Ų | 95 | 91.7 Ų | 91.7 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 174.7 | -70.7 | 166.2 | 0 | 0 | 0 | 110.8 | S165 E166 K171 L172 N173 | S165-I169 WeakPolarHBondContact O-CB 3.45Å; S165-I169 VanDerWaalsContact O-CG1 3.29Å; S165-I169 WeakPolarHBondContact O-CG1 3.32Å; S165-I169 PolarHBondContact O-N 2.93Å; E166-I169 PolarHBondContact O-N 3.45Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 3.42Å; I169-L172 PolarHBondContact O-N 3.31Å; I169-N173 WeakPolarHBondContact CG2-ND2 3.19Å; I169-N173 WeakPolarHBondContact O-CB 3.44Å; I169-N173 VanDerWaalsContact O-CG 3.29Å; I169-N173 PolarHBondContact O-N 3.43Å; I169-N173 PolarHBondContact O-ND2 3.02Å |
| 170 | Q | 89.5 | Confident | 89 | Confident | 121 Ų | 121 | 94 Ų | 94 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 175.1 | -74.1 | 178.9 | 12.5 | 0 | 0 | 112 | E166 F167 T168 N173 K174 | E166-Q170 WeakPolarHBondContact O-CG 3.46Å; E166-Q170 PolarHBondContact O-N 3.29Å; F167-Q170 PolarHBondContact O-N 3.42Å; T168-Q170 PolarHBondContact O-N 2.68Å; Q170-N173 PolarHBondContact O-N 3.21Å; Q170-K174 PolarHBondContact O-N 2.83Å; Q170-K174 VanDerWaalsContact O-N 3.08Å |
| 171 | K | 89.7 | Confident | 89 | Confident | 113 Ų | 113 | 94.4 Ų | 94.4 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 176.4 | -172.2 | -176.8 | 174.3 | -165.3 | 0 | 111.5 | F167 T168 I169 N173 K174 E175 | F167-K171 PolarHBondContact O-N 2.9Å; T168-K171 PolarHBondContact O-N 3.03Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 3.42Å; K171-N173 PolarHBondContact O-N 3.05Å; K171-K174 WeakPolarHBondContact O-CB 3.41Å; K171-K174 PolarHBondContact O-N 2.88Å; K171-K174 VanDerWaalsContact O-N 3.12Å; K171-E175 VanDerWaalsContact CE-OE1 3.22Å; K171-E175 WeakPolarHBondContact CE-OE1 3.41Å; K171-E175 PolarHBondContact O-N 3.13Å |
| 172 | L | 87.3 | Confident | 89 | Confident | 67 Ų | 67 | 94 Ų | 94 | 35% | 0.351 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 176.9 | -71 | 171.2 | 0 | 0 | 0 | 111.9 | T168 I169 K174 E175 I176 | T168-L172 WeakPolarHBondContact O-CG 3.4Å; T168-L172 PolarHBondContact O-N 3.42Å; I169-L172 PolarHBondContact O-N 3.31Å; L172-K174 VanDerWaalsContact C-N 3.27Å; L172-K174 PolarHBondContact O-N 2.88Å; L172-E175 PolarHBondContact O-N 2.9Å; L172-I176 WeakPolarHBondContact O-CB 3.18Å; L172-I176 VanDerWaalsContact O-CG1 3.27Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 3.42Å |
| 173 | N | 89.3 | Confident | 89.2 | Confident | 94 Ų | 94 | 95.3 Ų | 95.3 | 50% | 0.503 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -35.8 | 174.9 | -79.5 | -32.9 | 0 | 0 | 0 | 112.3 | I169 Q170 K171 A177 | I169-N173 WeakPolarHBondContact CG2-ND2 3.19Å; I169-N173 WeakPolarHBondContact O-CB 3.44Å; I169-N173 VanDerWaalsContact O-CG 3.29Å; I169-N173 PolarHBondContact O-N 3.43Å; I169-N173 PolarHBondContact O-ND2 3.02Å; Q170-N173 PolarHBondContact O-N 3.21Å; K171-N173 PolarHBondContact O-N 3.05Å; N173-A177 WeakPolarHBondContact O-CB 3.41Å; N173-A177 PolarHBondContact O-N 2.93Å |
| 174 | K | 91.8 | Very high | 89.2 | Confident | 147 Ų | 147 | 93.1 Ų | 93.1 | 64% | 0.639 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.4 | -41.5 | 174 | -168.9 | 177.3 | -179.1 | 179.5 | 0 | 111.6 | Q170 K171 L172 A177 N178 | Q170-K174 PolarHBondContact O-N 2.83Å; Q170-K174 VanDerWaalsContact O-N 3.08Å; K171-K174 WeakPolarHBondContact O-CB 3.41Å; K171-K174 PolarHBondContact O-N 2.88Å; K171-K174 VanDerWaalsContact O-N 3.12Å; L172-K174 VanDerWaalsContact C-N 3.27Å; L172-K174 PolarHBondContact O-N 2.88Å; K174-A177 PolarHBondContact O-N 3.15Å; K174-N178 VanDerWaalsContact O-CG 3.28Å; K174-N178 PolarHBondContact O-N 3.48Å; K174-N178 PolarHBondContact O-OD1 3.43Å |
| 175 | E | 90.6 | Very high | 89.3 | Confident | 90 Ų | 90 | 92.3 Ų | 92.3 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 174.7 | -71.5 | 170.9 | -168.6 | 0 | 0 | 111.7 | K171 L172 A177 N178 G179 | K171-E175 VanDerWaalsContact CE-OE1 3.22Å; K171-E175 WeakPolarHBondContact CE-OE1 3.41Å; K171-E175 PolarHBondContact O-N 3.13Å; L172-E175 PolarHBondContact O-N 2.9Å; E175-A177 VanDerWaalsContact C-N 3.34Å; E175-A177 PolarHBondContact O-N 3.39Å; E175-N178 PolarHBondContact O-N 3.18Å; E175-G179 PolarHBondContact O-N 2.88Å |
| 176 | I | 88.3 | Confident | 89.5 | Confident | 91 Ų | 91 | 92.2 Ų | 92.2 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 173.4 | -69.6 | 165.7 | 0 | 0 | 0 | 111 | L172 G179 K180 | L172-I176 WeakPolarHBondContact O-CB 3.18Å; L172-I176 VanDerWaalsContact O-CG1 3.27Å; L172-I176 WeakPolarHBondContact O-CG1 3.45Å; L172-I176 PolarHBondContact O-N 3.42Å; I176-G179 PolarHBondContact O-N 3.03Å; I176-K180 HydrophobicContact CG2-CD 4.19Å; I176-K180 WeakPolarHBondContact O-CB 3.42Å; I176-K180 VanDerWaalsContact O-CG 3.31Å; I176-K180 WeakPolarHBondContact O-CG 3.37Å; I176-K180 PolarHBondContact O-N 2.97Å |
| 177 | A | 90.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 91.9 Ų | 91.9 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N173 K174 E175 K180 S181 | N173-A177 WeakPolarHBondContact O-CB 3.41Å; N173-A177 PolarHBondContact O-N 2.93Å; K174-A177 PolarHBondContact O-N 3.15Å; E175-A177 VanDerWaalsContact C-N 3.34Å; E175-A177 PolarHBondContact O-N 3.39Å; A177-K180 PolarHBondContact O-N 3.38Å; A177-S181 PolarHBondContact O-N 3.44Å; A177-S181 VanDerWaalsContact O-N 3.1Å |
| 178 | N | 91.2 | Very high | 89.8 | Confident | 87 Ų | 87 | 92.7 Ų | 92.7 | 47% | 0.465 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 175.4 | -69.7 | -9.4 | 0 | 0 | 0 | 111.6 | K174 E175 K180 S181 E182 | K174-N178 VanDerWaalsContact O-CG 3.28Å; K174-N178 PolarHBondContact O-N 3.48Å; K174-N178 PolarHBondContact O-OD1 3.43Å; E175-N178 PolarHBondContact O-N 3.18Å; N178-K180 VanDerWaalsContact C-N 3.31Å; N178-K180 PolarHBondContact O-N 2.94Å; N178-S181 WeakPolarHBondContact O-CA 3.42Å; N178-S181 VanDerWaalsContact O-CB 3.3Å; N178-S181 WeakPolarHBondContact O-CB 3.03Å; N178-S181 PolarHBondContact O-N 2.94Å; N178-E182 PolarHBondContact O-N 3.1Å |
| 179 | G | 88.2 | Confident | 89.8 | Confident | 35 Ų | 35 | 99.4 Ų | 99.4 | 36% | 0.361 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.9 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E175 I176 S181 E182 L183 | E175-G179 PolarHBondContact O-N 2.88Å; I176-G179 PolarHBondContact O-N 3.03Å; G179-S181 VanDerWaalsContact C-N 3.34Å; G179-S181 PolarHBondContact O-N 2.72Å; G179-E182 PolarHBondContact O-N 2.9Å; G179-L183 VanDerWaalsContact O-CB 3.3Å; G179-L183 WeakPolarHBondContact O-CB 3.34Å; G179-L183 PolarHBondContact O-N 3.04Å |
| 180 | K | 91 | Very high | 89.8 | Confident | 134 Ų | 134 | 99.3 Ų | 99.3 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.4 | -36.7 | 171.7 | -76.8 | 177.5 | 179.6 | 179.3 | 0 | 112.7 | I176 A177 N178 N184 | I176-K180 HydrophobicContact CG2-CD 4.19Å; I176-K180 WeakPolarHBondContact O-CB 3.42Å; I176-K180 VanDerWaalsContact O-CG 3.31Å; I176-K180 WeakPolarHBondContact O-CG 3.37Å; I176-K180 PolarHBondContact O-N 2.97Å; A177-K180 PolarHBondContact O-N 3.38Å; N178-K180 VanDerWaalsContact C-N 3.31Å; N178-K180 PolarHBondContact O-N 2.94Å; K180-N184 WeakPolarHBondContact O-CB 3.35Å; K180-N184 VanDerWaalsContact O-CG 3.29Å; K180-N184 PolarHBondContact O-N 3.25Å; K180-N184 PolarHBondContact O-ND2 3.14Å |
| 181 | S | 90 | Very high | 89.8 | Confident | 62 Ų | 62 | 96 Ų | 96 | 43% | 0.434 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 175.3 | -170.4 | 0 | 0 | 0 | 0 | 111.3 | A177 N178 G179 L183 N184 D185 | A177-S181 PolarHBondContact O-N 3.44Å; A177-S181 VanDerWaalsContact O-N 3.1Å; N178-S181 WeakPolarHBondContact O-CA 3.42Å; N178-S181 VanDerWaalsContact O-CB 3.3Å; N178-S181 WeakPolarHBondContact O-CB 3.03Å; N178-S181 PolarHBondContact O-N 2.94Å; G179-S181 VanDerWaalsContact C-N 3.34Å; G179-S181 PolarHBondContact O-N 2.72Å; S181-L183 PolarHBondContact O-N 3.17Å; S181-N184 PolarHBondContact O-N 3.41Å; S181-D185 PolarHBondContact O-N 2.92Å |
| 182 | E | 89.8 | Confident | 89.8 | Confident | 136 Ų | 136 | 96.4 Ų | 96.4 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.3 | -40.9 | 177.9 | -69.2 | 177.1 | -170.7 | 0 | 0 | 112 | N178 G179 N184 D185 S186 | N178-E182 PolarHBondContact O-N 3.1Å; G179-E182 PolarHBondContact O-N 2.9Å; E182-N184 PolarHBondContact O-N 3.46Å; E182-D185 PolarHBondContact O-N 2.91Å; E182-S186 WeakPolarHBondContact O-CB 3.46Å; E182-S186 PolarHBondContact O-N 3.35Å; E182-S186 PolarHBondContact O-OG 2.94Å |
| 183 | L | 90.1 | Very high | 89.9 | Confident | 100 Ų | 100 | 98.6 Ų | 98.6 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 173.3 | -178.1 | 64.4 | 0 | 0 | 0 | 110.7 | G179 S181 D185 S186 M187 | G179-L183 VanDerWaalsContact O-CB 3.3Å; G179-L183 WeakPolarHBondContact O-CB 3.34Å; G179-L183 PolarHBondContact O-N 3.04Å; S181-L183 PolarHBondContact O-N 3.17Å; L183-D185 VanDerWaalsContact C-N 3.32Å; L183-D185 PolarHBondContact O-N 3.26Å; L183-S186 PolarHBondContact O-N 3.25Å; L183-S186 PolarHBondContact O-OG 2.93Å; L183-M187 HydrophobicContact CG-SD 4.32Å; L183-M187 WeakPolarHBondContact O-CB 3.44Å; L183-M187 WeakPolarHBondContact O-CG 3.43Å; L183-M187 PolarHBondContact O-N 2.94Å |
| 184 | N | 91.6 | Very high | 89.9 | Confident | 87 Ų | 87 | 100.3 Ų | 100.3 | 47% | 0.465 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 177.5 | -79.2 | -31 | 0 | 0 | 0 | 112.8 | K180 S181 E182 R188 | K180-N184 WeakPolarHBondContact O-CB 3.35Å; K180-N184 VanDerWaalsContact O-CG 3.29Å; K180-N184 PolarHBondContact O-N 3.25Å; K180-N184 PolarHBondContact O-ND2 3.14Å; S181-N184 PolarHBondContact O-N 3.41Å; E182-N184 PolarHBondContact O-N 3.46Å; N184-R188 PolarHBondContact O-N 3.42Å |
| 185 | D | 90.2 | Very high | 89.7 | Confident | 65 Ų | 65 | 98.4 Ų | 98.4 | 35% | 0.348 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 174.4 | -73.6 | -22.7 | 0 | 0 | 0 | 111.8 | S181 E182 L183 R188 R189 | S181-D185 PolarHBondContact O-N 2.92Å; E182-D185 PolarHBondContact O-N 2.91Å; L183-D185 VanDerWaalsContact C-N 3.32Å; L183-D185 PolarHBondContact O-N 3.26Å; D185-R188 PolarHBondContact O-N 3.14Å; D185-R188 IonicContact OD1-CZ 3.66Å; D185-R188 IonicContact OD1-NE 3.24Å; D185-R188 IonicContact OD1-NH1 2.74Å; D185-R188 PolarHBondContact OD1-NH1 3.43Å; D185-R188 IonicContact OD1-NH2 2.75Å; D185-R188 PolarHBondContact OD1-NH2 2.91Å; D185-R189 PolarHBondContact O-N 3.02Å |
| 186 | S | 88.5 | Confident | 89.8 | Confident | 51 Ų | 51 | 97.4 Ų | 97.4 | 36% | 0.357 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 177.3 | 72.9 | 0 | 0 | 0 | 0 | 111.8 | E182 L183 R188 R189 I190 | E182-S186 WeakPolarHBondContact O-CB 3.46Å; E182-S186 PolarHBondContact O-N 3.35Å; E182-S186 PolarHBondContact O-OG 2.94Å; L183-S186 PolarHBondContact O-N 3.25Å; L183-S186 PolarHBondContact O-OG 2.93Å; S186-R188 PolarHBondContact O-N 2.82Å; S186-R189 WeakPolarHBondContact O-CB 3.25Å; S186-R189 PolarHBondContact O-N 3.14Å; S186-R189 VanDerWaalsContact O-N 3.14Å; S186-I190 WeakPolarHBondContact O-CG1 3.39Å; S186-I190 PolarHBondContact O-N 3.31Å |
| 187 | M | 90.5 | Very high | 89.7 | Confident | 108 Ų | 108 | 98.5 Ų | 98.5 | 53% | 0.532 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 172.1 | -74.4 | 179.5 | 68.6 | 0 | 0 | 111.3 | L183 R189 I190 A191 | L183-M187 HydrophobicContact CG-SD 4.32Å; L183-M187 WeakPolarHBondContact O-CB 3.44Å; L183-M187 WeakPolarHBondContact O-CG 3.43Å; L183-M187 PolarHBondContact O-N 2.94Å; M187-R189 VanDerWaalsContact C-N 3.3Å; M187-R189 PolarHBondContact O-N 3.18Å; M187-I190 PolarHBondContact O-N 3.49Å; M187-A191 WeakPolarHBondContact O-CB 3.32Å; M187-A191 PolarHBondContact O-N 3.32Å |
| 188 | R | 91 | Very high | 89.7 | Confident | 161 Ų | 161 | 98.9 Ų | 98.9 | 61% | 0.608 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60 | -39.6 | 174.1 | -84.4 | -175.5 | -94.1 | 145.2 | -0.7 | 112 | N184 D185 S186 H192 | N184-R188 PolarHBondContact O-N 3.42Å; D185-R188 PolarHBondContact O-N 3.14Å; D185-R188 IonicContact OD1-CZ 3.66Å; D185-R188 IonicContact OD1-NE 3.24Å; D185-R188 IonicContact OD1-NH1 2.74Å; D185-R188 PolarHBondContact OD1-NH1 3.43Å; D185-R188 IonicContact OD1-NH2 2.75Å; D185-R188 PolarHBondContact OD1-NH2 2.91Å; S186-R188 PolarHBondContact O-N 2.82Å; R188-H192 WeakPolarHBondContact O-CB 3.5Å; R188-H192 PolarHBondContact O-N 3.41Å |
| 189 | R | 90.3 | Very high | 89.6 | Confident | 187 Ų | 187 | 98.3 Ų | 98.3 | 71% | 0.706 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -42.7 | 175.2 | -109.8 | 162.5 | -175.9 | 147.4 | 1.9 | 113 | D185 S186 M187 H192 L193 | D185-R189 PolarHBondContact O-N 3.02Å; S186-R189 WeakPolarHBondContact O-CB 3.25Å; S186-R189 PolarHBondContact O-N 3.14Å; S186-R189 VanDerWaalsContact O-N 3.14Å; M187-R189 VanDerWaalsContact C-N 3.3Å; M187-R189 PolarHBondContact O-N 3.18Å; R189-H192 PolarHBondContact O-N 3.22Å; R189-L193 WeakPolarHBondContact O-CG 3.27Å; R189-L193 PolarHBondContact O-N 2.82Å |
| 190 | I | 87.4 | Confident | 89.7 | Confident | 92 Ų | 92 | 101.2 Ų | 101.2 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 175.9 | -69.4 | 167.5 | 0 | 0 | 0 | 110.2 | S186 M187 H192 L193 Q194 | S186-I190 WeakPolarHBondContact O-CG1 3.39Å; S186-I190 PolarHBondContact O-N 3.31Å; M187-I190 PolarHBondContact O-N 3.49Å; I190-H192 VanDerWaalsContact C-N 3.32Å; I190-H192 PolarHBondContact O-N 3.4Å; I190-L193 PolarHBondContact O-N 3.25Å; I190-Q194 HydrophobicContact CG2-CG 4.31Å; I190-Q194 WeakPolarHBondContact O-CB 3.32Å; I190-Q194 VanDerWaalsContact O-CG 3.32Å; I190-Q194 WeakPolarHBondContact O-CG 3.5Å; I190-Q194 PolarHBondContact O-N 2.85Å |
| 191 | A | 88.9 | Confident | 89.5 | Confident | 52 Ų | 52 | 98.2 Ų | 98.2 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M187 Q194 Q195 | M187-A191 WeakPolarHBondContact O-CB 3.32Å; M187-A191 PolarHBondContact O-N 3.32Å; A191-Q194 PolarHBondContact O-N 3.27Å; A191-Q195 PolarHBondContact O-N 2.8Å |
| 192 | H | 90 | Very high | 89.4 | Confident | 121 Ų | 121 | 99.2 Ų | 99.2 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 174.7 | -171.9 | -24 | 0 | 0 | 0 | 112.2 | R188 R189 I190 Q195 I196 | R188-H192 WeakPolarHBondContact O-CB 3.5Å; R188-H192 PolarHBondContact O-N 3.41Å; R189-H192 PolarHBondContact O-N 3.22Å; I190-H192 VanDerWaalsContact C-N 3.32Å; I190-H192 PolarHBondContact O-N 3.4Å; H192-Q195 WeakPolarHBondContact O-CB 3.4Å; H192-Q195 PolarHBondContact O-N 3Å; H192-I196 WeakPolarHBondContact CE1-CD1 3.34Å; H192-I196 WeakPolarHBondContact ND1-CD1 3.23Å; H192-I196 WeakPolarHBondContact O-CG1 3.34Å; H192-I196 PolarHBondContact O-N 2.91Å |
| 193 | L | 88.8 | Confident | 89.3 | Confident | 113 Ų | 113 | 98.8 Ų | 98.8 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.2 | -38.1 | 178.3 | -73.6 | 170.5 | 0 | 0 | 0 | 111.9 | R189 I190 Q195 I196 N197 | R189-L193 WeakPolarHBondContact O-CG 3.27Å; R189-L193 PolarHBondContact O-N 2.82Å; I190-L193 PolarHBondContact O-N 3.25Å; L193-Q195 VanDerWaalsContact C-N 3.34Å; L193-I196 PolarHBondContact O-N 3.26Å; L193-N197 WeakPolarHBondContact O-CB 3.42Å; L193-N197 PolarHBondContact O-N 3.45Å |
| 194 | Q | 89.1 | Confident | 89.1 | Confident | 130 Ų | 130 | 98.6 Ų | 98.6 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | 173.4 | -75.4 | 173.7 | -19.8 | 0 | 0 | 111.5 | I190 A191 N197 C198 | I190-Q194 HydrophobicContact CG2-CG 4.31Å; I190-Q194 WeakPolarHBondContact O-CB 3.32Å; I190-Q194 VanDerWaalsContact O-CG 3.32Å; I190-Q194 WeakPolarHBondContact O-CG 3.5Å; I190-Q194 PolarHBondContact O-N 2.85Å; A191-Q194 PolarHBondContact O-N 3.27Å; Q194-N197 PolarHBondContact O-N 3.47Å; Q194-C198 WeakPolarHBondContact O-CB 3.44Å; Q194-C198 PolarHBondContact O-N 3.49Å |
| 195 | Q | 88.7 | Confident | 88.9 | Confident | 107 Ų | 107 | 97.1 Ų | 97.1 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -50.2 | 174.2 | -177.1 | 60.2 | 36.8 | 0 | 0 | 111.4 | A191 H192 L193 N197 C198 D199 | A191-Q195 PolarHBondContact O-N 2.8Å; H192-Q195 WeakPolarHBondContact O-CB 3.4Å; H192-Q195 PolarHBondContact O-N 3Å; L193-Q195 VanDerWaalsContact C-N 3.34Å; Q195-N197 VanDerWaalsContact C-N 3.27Å; Q195-N197 PolarHBondContact O-N 3.05Å; Q195-C198 WeakPolarHBondContact O-CB 3.43Å; Q195-C198 PolarHBondContact O-N 2.98Å; Q195-D199 PolarHBondContact NE2-OD1 3.47Å; Q195-D199 PolarHBondContact NE2-OD2 2.98Å; Q195-D199 VanDerWaalsContact NE2-OD2 3.17Å; Q195-D199 PolarHBondContact O-N 2.94Å |
| 196 | I | 91.2 | Very high | 88.8 | Confident | 70 Ų | 70 | 101 Ų | 101 | 36% | 0.359 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.5 | -43.8 | 176.1 | -69 | 168.8 | 0 | 0 | 0 | 110.9 | H192 L193 D199 L200 | H192-I196 WeakPolarHBondContact CE1-CD1 3.34Å; H192-I196 WeakPolarHBondContact ND1-CD1 3.23Å; H192-I196 WeakPolarHBondContact O-CG1 3.34Å; H192-I196 PolarHBondContact O-N 2.91Å; L193-I196 PolarHBondContact O-N 3.26Å; I196-D199 PolarHBondContact O-N 3.37Å; I196-L200 HydrophobicContact CG2-CD1 3.78Å; I196-L200 HydrophobicContact CG2-CG 4.24Å; I196-L200 WeakPolarHBondContact O-CB 3.47Å; I196-L200 WeakPolarHBondContact O-CG 3.37Å; I196-L200 PolarHBondContact O-N 3.39Å |
| 197 | N | 87.3 | Confident | 88.6 | Confident | 113 Ų | 113 | 101.6 Ų | 101.6 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.2 | -36.8 | -177.8 | -153.1 | 10.3 | 0 | 0 | 0 | 111.6 | L193 Q194 Q195 S201 | L193-N197 WeakPolarHBondContact O-CB 3.42Å; L193-N197 PolarHBondContact O-N 3.45Å; Q194-N197 PolarHBondContact O-N 3.47Å; Q195-N197 VanDerWaalsContact C-N 3.27Å; Q195-N197 PolarHBondContact O-N 3.05Å; N197-S201 WeakPolarHBondContact O-CB 3.34Å; N197-S201 PolarHBondContact O-N 3.24Å |
| 198 | C | 90.2 | Very high | 88.5 | Confident | 66 Ų | 66 | 102.9 Ų | 102.9 | 45% | 0.446 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 171.7 | -168.9 | 0 | 0 | 0 | 0 | 111.1 | Q194 Q195 S201 N202 | Q194-C198 WeakPolarHBondContact O-CB 3.44Å; Q194-C198 PolarHBondContact O-N 3.49Å; Q195-C198 WeakPolarHBondContact O-CB 3.43Å; Q195-C198 PolarHBondContact O-N 2.98Å; C198-S201 PolarHBondContact O-N 2.9Å; C198-N202 WeakPolarHBondContact O-CB 3.45Å; C198-N202 PolarHBondContact O-N 3.45Å; C198-N202 PolarHBondContact O-ND2 3.47Å; C198-N202 VanDerWaalsContact O-ND2 3.14Å |
| 199 | D | 89.6 | Confident | 88.3 | Confident | 75 Ų | 75 | 99.4 Ų | 99.4 | 40% | 0.401 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 179.2 | -66.5 | -29.5 | 0 | 0 | 0 | 111.8 | Q195 I196 S201 N202 E203 | Q195-D199 PolarHBondContact NE2-OD1 3.47Å; Q195-D199 PolarHBondContact NE2-OD2 2.98Å; Q195-D199 VanDerWaalsContact NE2-OD2 3.17Å; Q195-D199 PolarHBondContact O-N 2.94Å; I196-D199 PolarHBondContact O-N 3.37Å; D199-S201 PolarHBondContact O-N 3.3Å; D199-N202 WeakPolarHBondContact O-CB 3.38Å; D199-N202 PolarHBondContact O-N 2.89Å; D199-E203 WeakPolarHBondContact O-CG 3.33Å; D199-E203 PolarHBondContact O-N 3.28Å |
| 200 | L | 88.7 | Confident | 87.9 | Confident | 95 Ų | 95 | 94.5 Ų | 94.5 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 175.7 | -72.7 | 173.5 | 0 | 0 | 0 | 112.6 | I196 N202 E203 L204 | I196-L200 HydrophobicContact CG2-CD1 3.78Å; I196-L200 HydrophobicContact CG2-CG 4.24Å; I196-L200 WeakPolarHBondContact O-CB 3.47Å; I196-L200 WeakPolarHBondContact O-CG 3.37Å; I196-L200 PolarHBondContact O-N 3.39Å; L200-N202 VanDerWaalsContact C-N 3.32Å; L200-E203 PolarHBondContact O-N 3.25Å; L200-L204 WeakPolarHBondContact O-CB 3.44Å; L200-L204 PolarHBondContact O-N 3.39Å |
| 201 | S | 87.6 | Confident | 87.7 | Confident | 71 Ų | 71 | 94.3 Ų | 94.3 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 176.8 | -155.6 | 0 | 0 | 0 | 0 | 111.1 | N197 C198 D199 L204 A205 | N197-S201 WeakPolarHBondContact O-CB 3.34Å; N197-S201 PolarHBondContact O-N 3.24Å; C198-S201 PolarHBondContact O-N 2.9Å; D199-S201 PolarHBondContact O-N 3.3Å; S201-L204 PolarHBondContact O-N 2.93Å; S201-A205 WeakPolarHBondContact O-CB 3.48Å; S201-A205 PolarHBondContact O-N 3.49Å |
| 202 | N | 88.2 | Confident | 87.6 | Confident | 83 Ų | 83 | 98.3 Ų | 98.3 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 172.8 | -71.4 | -32 | 0 | 0 | 0 | 112.2 | C198 D199 L200 A205 K206 | C198-N202 WeakPolarHBondContact O-CB 3.45Å; C198-N202 PolarHBondContact O-N 3.45Å; C198-N202 PolarHBondContact O-ND2 3.47Å; C198-N202 VanDerWaalsContact O-ND2 3.14Å; D199-N202 WeakPolarHBondContact O-CB 3.38Å; D199-N202 PolarHBondContact O-N 2.89Å; L200-N202 VanDerWaalsContact C-N 3.32Å; N202-A205 PolarHBondContact O-N 3.14Å; N202-K206 WeakPolarHBondContact O-CG 3.49Å; N202-K206 PolarHBondContact O-N 2.89Å |
| 203 | E | 86.4 | Confident | 87.3 | Confident | 127 Ų | 127 | 98.3 Ų | 98.3 | 59% | 0.593 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 173.6 | -74.4 | -163.8 | 157.6 | 0 | 0 | 112.1 | D199 L200 A205 K206 S207 | D199-E203 WeakPolarHBondContact O-CG 3.33Å; D199-E203 PolarHBondContact O-N 3.28Å; L200-E203 PolarHBondContact O-N 3.25Å; E203-A205 VanDerWaalsContact C-N 3.34Å; E203-A205 PolarHBondContact O-N 3.4Å; E203-K206 PolarHBondContact O-N 2.91Å; E203-S207 WeakPolarHBondContact O-CB 3.46Å; E203-S207 PolarHBondContact O-N 3.31Å |
| 204 | L | 86.9 | Confident | 86.9 | Confident | 96 Ų | 96 | 95.9 Ų | 95.9 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 175.6 | -176.5 | 67.1 | 0 | 0 | 0 | 111.3 | L200 S201 S207 K208 | L200-L204 WeakPolarHBondContact O-CB 3.44Å; L200-L204 PolarHBondContact O-N 3.39Å; S201-L204 PolarHBondContact O-N 2.93Å; L204-S207 PolarHBondContact O-N 2.94Å; L204-K208 WeakPolarHBondContact O-CB 3.29Å; L204-K208 WeakPolarHBondContact O-CG 3.36Å; L204-K208 PolarHBondContact O-N 2.97Å |
| 205 | A | 87.8 | Confident | 86.6 | Confident | 56 Ų | 56 | 92.5 Ų | 92.5 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S201 N202 E203 K208 L209 | S201-A205 WeakPolarHBondContact O-CB 3.48Å; S201-A205 PolarHBondContact O-N 3.49Å; N202-A205 PolarHBondContact O-N 3.14Å; E203-A205 VanDerWaalsContact C-N 3.34Å; E203-A205 PolarHBondContact O-N 3.4Å; A205-K208 PolarHBondContact O-N 3.23Å; A205-L209 PolarHBondContact O-N 3.44Å |
| 206 | K | 87.9 | Confident | 86.4 | Confident | 147 Ų | 147 | 89.8 Ų | 89.8 | 64% | 0.639 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.8 | -46.2 | 173.4 | -73.3 | 173.8 | -176.1 | 173.3 | 0 | 111.3 | N202 E203 L209 T210 | N202-K206 WeakPolarHBondContact O-CG 3.49Å; N202-K206 PolarHBondContact O-N 2.89Å; E203-K206 PolarHBondContact O-N 2.91Å; K206-L209 WeakPolarHBondContact O-CB 3.4Å; K206-L209 PolarHBondContact O-N 3.4Å; K206-T210 WeakPolarHBondContact O-CG2 3.33Å; K206-T210 PolarHBondContact O-N 2.82Å |
| 207 | S | 83.7 | Confident | 85.9 | Confident | 63 Ų | 63 | 94.9 Ų | 94.9 | 44% | 0.441 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 178 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | E203 L204 L209 T210 V211 | E203-S207 WeakPolarHBondContact O-CB 3.46Å; E203-S207 PolarHBondContact O-N 3.31Å; L204-S207 PolarHBondContact O-N 2.94Å; S207-L209 VanDerWaalsContact C-N 3.32Å; S207-L209 PolarHBondContact O-N 3.44Å; S207-T210 PolarHBondContact O-N 2.85Å; S207-T210 PolarHBondContact O-OG1 3.38Å; S207-V211 WeakPolarHBondContact O-CG2 3.4Å; S207-V211 PolarHBondContact O-N 2.79Å |
| 208 | K | 88.2 | Confident | 85.6 | Confident | 135 Ų | 135 | 92.2 Ų | 92.2 | 59% | 0.587 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.2 | -43.4 | 174 | -77 | 178.9 | 178.5 | -179.9 | 0 | 112.4 | L204 A205 T210 V211 Q212 | L204-K208 WeakPolarHBondContact O-CB 3.29Å; L204-K208 WeakPolarHBondContact O-CG 3.36Å; L204-K208 PolarHBondContact O-N 2.97Å; A205-K208 PolarHBondContact O-N 3.23Å; K208-T210 VanDerWaalsContact C-N 3.33Å; K208-T210 PolarHBondContact O-N 3.21Å; K208-V211 PolarHBondContact O-N 2.9Å; K208-Q212 WeakPolarHBondContact O-CB 3.5Å; K208-Q212 PolarHBondContact O-N 2.94Å |
| 209 | L | 86.9 | Confident | 85.2 | Confident | 88 Ų | 88 | 94.6 Ų | 94.6 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 177.1 | -167.4 | 76 | 0 | 0 | 0 | 111.9 | A205 K206 S207 Q212 K213 | A205-L209 PolarHBondContact O-N 3.44Å; K206-L209 WeakPolarHBondContact O-CB 3.4Å; K206-L209 PolarHBondContact O-N 3.4Å; S207-L209 VanDerWaalsContact C-N 3.32Å; S207-L209 PolarHBondContact O-N 3.44Å; L209-Q212 PolarHBondContact O-N 2.9Å; L209-K213 WeakPolarHBondContact O-CB 3.26Å; L209-K213 WeakPolarHBondContact O-CG 3.23Å; L209-K213 PolarHBondContact O-N 3.22Å |
| 210 | T | 82.6 | Confident | 84.8 | Confident | 85 Ų | 85 | 95.4 Ų | 95.4 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 175.9 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | K206 S207 K208 K213 S214 | K206-T210 WeakPolarHBondContact O-CG2 3.33Å; K206-T210 PolarHBondContact O-N 2.82Å; S207-T210 PolarHBondContact O-N 2.85Å; S207-T210 PolarHBondContact O-OG1 3.38Å; K208-T210 VanDerWaalsContact C-N 3.33Å; K208-T210 PolarHBondContact O-N 3.21Å; T210-K213 PolarHBondContact O-N 3.48Å; T210-S214 PolarHBondContact O-N 2.91Å; T210-S214 PolarHBondContact O-OG 2.91Å |
| 211 | V | 83.3 | Confident | 84.4 | Confident | 88 Ų | 88 | 96.2 Ų | 96.2 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 173.8 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | S207 K208 K213 S214 S215 | S207-V211 WeakPolarHBondContact O-CG2 3.4Å; S207-V211 PolarHBondContact O-N 2.79Å; K208-V211 PolarHBondContact O-N 2.9Å; V211-K213 PolarHBondContact O-N 3.32Å; V211-S214 VanDerWaalsContact CA-OG 3.31Å; V211-S214 WeakPolarHBondContact CA-OG 3.36Å; V211-S214 PolarHBondContact O-N 3.4Å; V211-S214 PolarHBondContact O-OG 3.3Å; V211-S215 WeakPolarHBondContact O-CB 3.3Å; V211-S215 PolarHBondContact O-N 3.28Å |
| 212 | Q | 85.7 | Confident | 84.1 | Confident | 135 Ų | 135 | 95.3 Ų | 95.3 | 63% | 0.631 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64 | -43 | 177.3 | -166.2 | -179.4 | 17.1 | 0 | 0 | 112 | K208 L209 S214 S215 A216 | K208-Q212 WeakPolarHBondContact O-CB 3.5Å; K208-Q212 PolarHBondContact O-N 2.94Å; L209-Q212 PolarHBondContact O-N 2.9Å; Q212-S214 VanDerWaalsContact C-N 3.35Å; Q212-S214 PolarHBondContact O-N 3.4Å; Q212-S215 PolarHBondContact O-N 3.01Å; Q212-A216 WeakPolarHBondContact O-CB 3.47Å; Q212-A216 PolarHBondContact O-N 2.95Å |
| 213 | K | 85.3 | Confident | 83.8 | Confident | 121 Ų | 121 | 97.3 Ų | 97.3 | 53% | 0.526 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 175.6 | -76.3 | 177.9 | -178.9 | 179.7 | 0 | 112.5 | L209 T210 V211 R217 | L209-K213 WeakPolarHBondContact O-CB 3.26Å; L209-K213 WeakPolarHBondContact O-CG 3.23Å; L209-K213 PolarHBondContact O-N 3.22Å; T210-K213 PolarHBondContact O-N 3.48Å; V211-K213 PolarHBondContact O-N 3.32Å; K213-R217 WeakPolarHBondContact O-CG 3.43Å; K213-R217 PolarHBondContact O-N 3.49Å; K213-R217 VanDerWaalsContact O-N 3.14Å |
| 214 | S | 79.6 | Confident | 83.7 | Confident | 63 Ų | 63 | 96.7 Ų | 96.7 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.4 | -38.6 | 176.7 | 47.1 | 0 | 0 | 0 | 0 | 112 | T210 V211 Q212 R217 A218 | T210-S214 PolarHBondContact O-N 2.91Å; T210-S214 PolarHBondContact O-OG 2.91Å; V211-S214 VanDerWaalsContact CA-OG 3.31Å; V211-S214 WeakPolarHBondContact CA-OG 3.36Å; V211-S214 PolarHBondContact O-N 3.4Å; V211-S214 PolarHBondContact O-OG 3.3Å; Q212-S214 VanDerWaalsContact C-N 3.35Å; Q212-S214 PolarHBondContact O-N 3.4Å; S214-R217 PolarHBondContact O-N 2.92Å; S214-A218 PolarHBondContact O-N 3.46Å |
| 215 | S | 83.3 | Confident | 83.3 | Confident | 59 Ų | 59 | 100 Ų | 100 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 171.7 | -166.3 | 0 | 0 | 0 | 0 | 111.9 | V211 Q212 R217 A218 E219 | V211-S215 WeakPolarHBondContact O-CB 3.3Å; V211-S215 PolarHBondContact O-N 3.28Å; Q212-S215 PolarHBondContact O-N 3.01Å; S215-R217 VanDerWaalsContact C-N 3.3Å; S215-R217 PolarHBondContact O-N 2.91Å; S215-A218 WeakPolarHBondContact O-CB 3.39Å; S215-A218 PolarHBondContact O-N 3.4Å; S215-A218 VanDerWaalsContact O-N 3.11Å; S215-E219 PolarHBondContact O-N 3.49Å |
| 216 | A | 83.4 | Confident | 82.9 | Confident | 49 Ų | 49 | 101.5 Ų | 101.5 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -36 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q212 N220 | Q212-A216 WeakPolarHBondContact O-CB 3.47Å; Q212-A216 PolarHBondContact O-N 2.95Å; A216-N220 PolarHBondContact O-N 3.43Å |
| 217 | R | 82.3 | Confident | 82.6 | Confident | 177 Ų | 177 | 100.2 Ų | 100.2 | 67% | 0.668 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.2 | -42.3 | 172.7 | -75 | 173.5 | -177.4 | 162.1 | -0.6 | 112 | K213 S214 S215 N220 L221 | K213-R217 WeakPolarHBondContact O-CG 3.43Å; K213-R217 PolarHBondContact O-N 3.49Å; K213-R217 VanDerWaalsContact O-N 3.14Å; S214-R217 PolarHBondContact O-N 2.92Å; S215-R217 VanDerWaalsContact C-N 3.3Å; S215-R217 PolarHBondContact O-N 2.91Å; R217-N220 PolarHBondContact O-N 2.92Å; R217-L221 WeakPolarHBondContact O-CG 3.44Å; R217-L221 PolarHBondContact O-N 3.02Å |
| 218 | A | 79.1 | Confident | 82.3 | Confident | 58 Ų | 58 | 102.4 Ų | 102.4 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | S214 S215 L221 A222 | S214-A218 PolarHBondContact O-N 3.46Å; S215-A218 WeakPolarHBondContact O-CB 3.39Å; S215-A218 PolarHBondContact O-N 3.4Å; S215-A218 VanDerWaalsContact O-N 3.11Å; A218-L221 PolarHBondContact O-N 3.38Å; A218-A222 WeakPolarHBondContact O-CB 3.36Å; A218-A222 PolarHBondContact O-N 2.97Å |
| 219 | E | 82.1 | Confident | 82.1 | Confident | 116 Ų | 116 | 102.5 Ų | 102.5 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -43 | 174.6 | -76.4 | 177.6 | -165.1 | 0 | 0 | 112.6 | S215 A222 K223 | S215-E219 PolarHBondContact O-N 3.49Å; E219-A222 PolarHBondContact O-N 2.96Å; E219-K223 WeakPolarHBondContact O-CG 3.44Å; E219-K223 PolarHBondContact O-N 3.36Å |
| 220 | N | 81.7 | Confident | 81.7 | Confident | 92 Ų | 92 | 102.1 Ų | 102.1 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 176.2 | -93.8 | -16.9 | 0 | 0 | 0 | 112.4 | A216 R217 A222 K223 Q224 | A216-N220 PolarHBondContact O-N 3.43Å; R217-N220 PolarHBondContact O-N 2.92Å; N220-A222 VanDerWaalsContact C-N 3.33Å; N220-K223 PolarHBondContact O-N 2.99Å; N220-Q224 WeakPolarHBondContact O-CG 3.45Å; N220-Q224 PolarHBondContact O-N 3.21Å |
| 221 | L | 80.9 | Confident | 81.5 | Confident | 112 Ų | 112 | 104.5 Ų | 104.5 | 59% | 0.586 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 173.7 | -78.1 | 167.5 | 0 | 0 | 0 | 111.6 | R217 A218 K223 Q224 Y225 | R217-L221 WeakPolarHBondContact O-CG 3.44Å; R217-L221 PolarHBondContact O-N 3.02Å; A218-L221 PolarHBondContact O-N 3.38Å; L221-K223 PolarHBondContact O-N 2.9Å; L221-Q224 PolarHBondContact O-N 3.5Å; L221-Y225 WeakPolarHBondContact O-CB 3.32Å; L221-Y225 PolarHBondContact O-N 3.32Å |
| 222 | A | 79.8 | Confident | 81.1 | Confident | 52 Ų | 52 | 104.1 Ų | 104.1 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A218 E219 N220 Y225 N226 | A218-A222 WeakPolarHBondContact O-CB 3.36Å; A218-A222 PolarHBondContact O-N 2.97Å; E219-A222 PolarHBondContact O-N 2.96Å; N220-A222 VanDerWaalsContact C-N 3.33Å; A222-Y225 PolarHBondContact O-N 2.98Å; A222-N226 WeakPolarHBondContact O-CB 3.36Å; A222-N226 PolarHBondContact O-N 3.45Å; A222-N226 PolarHBondContact O-ND2 3.33Å |
| 223 | K | 83.5 | Confident | 80.8 | Confident | 125 Ų | 125 | 102.2 Ų | 102.2 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 173.6 | -73.1 | 177.1 | -175.9 | 175.3 | 0 | 111.9 | E219 N220 L221 Y225 N226 E227 | E219-K223 WeakPolarHBondContact O-CG 3.44Å; E219-K223 PolarHBondContact O-N 3.36Å; N220-K223 PolarHBondContact O-N 2.99Å; L221-K223 PolarHBondContact O-N 2.9Å; K223-Y225 VanDerWaalsContact C-N 3.32Å; K223-Y225 PolarHBondContact O-N 3.39Å; K223-N226 PolarHBondContact O-N 2.9Å; K223-E227 PolarHBondContact O-N 2.9Å |
| 224 | Q | 83.8 | Confident | 80.5 | Confident | 113 Ų | 113 | 102.6 Ų | 102.6 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 176.8 | -71.9 | 178.4 | 15.4 | 0 | 0 | 112 | N220 L221 E227 L228 | N220-Q224 WeakPolarHBondContact O-CG 3.45Å; N220-Q224 PolarHBondContact O-N 3.21Å; L221-Q224 PolarHBondContact O-N 3.5Å; Q224-E227 PolarHBondContact O-N 3.26Å; Q224-L228 WeakPolarHBondContact O-CB 3.43Å; Q224-L228 WeakPolarHBondContact O-CG 3.34Å; Q224-L228 PolarHBondContact O-N 3.42Å |
| 225 | Y | 79.3 | Confident | 80.2 | Confident | 166 Ų | 166 | 102.1 Ų | 102.1 | 65% | 0.651 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 175.8 | -166.9 | -90.3 | 0 | 0 | 0 | 111.7 | L221 A222 K223 L228 R229 | L221-Y225 WeakPolarHBondContact O-CB 3.32Å; L221-Y225 PolarHBondContact O-N 3.32Å; A222-Y225 PolarHBondContact O-N 2.98Å; K223-Y225 VanDerWaalsContact C-N 3.32Å; K223-Y225 PolarHBondContact O-N 3.39Å; Y225-L228 PolarHBondContact O-N 3.4Å; Y225-R229 WeakPolarHBondContact O-CB 3.39Å; Y225-R229 PolarHBondContact O-N 2.96Å |
| 226 | N | 79.1 | Confident | 79.9 | Confident | 88 Ų | 88 | 103.9 Ų | 103.9 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 176.4 | -77.4 | -26.4 | 0 | 0 | 0 | 112.6 | A222 K223 R229 C230 | A222-N226 WeakPolarHBondContact O-CB 3.36Å; A222-N226 PolarHBondContact O-N 3.45Å; A222-N226 PolarHBondContact O-ND2 3.33Å; K223-N226 PolarHBondContact O-N 2.9Å; N226-R229 WeakPolarHBondContact O-CB 3.43Å; N226-R229 PolarHBondContact O-N 2.86Å; N226-C230 WeakPolarHBondContact O-CB 3.25Å; N226-C230 PolarHBondContact O-N 3.16Å |
| 227 | E | 81.5 | Confident | 79.5 | Confident | 120 Ų | 120 | 103.9 Ų | 103.9 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -44.3 | 174.5 | -78 | -178.9 | -175.4 | 0 | 0 | 112.3 | K223 Q224 R229 C230 K231 | K223-E227 PolarHBondContact O-N 2.9Å; Q224-E227 PolarHBondContact O-N 3.26Å; E227-R229 VanDerWaalsContact C-N 3.32Å; E227-R229 PolarHBondContact O-N 2.82Å; E227-C230 PolarHBondContact O-N 3.5Å; E227-K231 WeakPolarHBondContact O-CG 3.39Å; E227-K231 PolarHBondContact O-N 3.49Å |
| 228 | L | 77.4 | Confident | 79.2 | Confident | 108 Ų | 108 | 100.2 Ų | 100.2 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.1 | -43.2 | 175 | -74.4 | 171.6 | 0 | 0 | 0 | 110.9 | Q224 Y225 C230 K231 T232 | Q224-L228 WeakPolarHBondContact O-CB 3.43Å; Q224-L228 WeakPolarHBondContact O-CG 3.34Å; Q224-L228 PolarHBondContact O-N 3.42Å; Y225-L228 PolarHBondContact O-N 3.4Å; L228-C230 PolarHBondContact O-N 2.99Å; L228-K231 PolarHBondContact O-N 3.39Å; L228-T232 WeakPolarHBondContact O-CB 3.35Å; L228-T232 PolarHBondContact O-N 3.07Å; L228-T232 PolarHBondContact O-OG1 3.25Å |
| 229 | R | 82.8 | Confident | 78.7 | Confident | 138 Ų | 138 | 102.4 Ų | 102.4 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.8 | -47.7 | 175.2 | -165.9 | -173.8 | 117.9 | -166 | 1 | 111.5 | Y225 N226 E227 K231 T232 E233 | Y225-R229 WeakPolarHBondContact O-CB 3.39Å; Y225-R229 PolarHBondContact O-N 2.96Å; N226-R229 WeakPolarHBondContact O-CB 3.43Å; N226-R229 PolarHBondContact O-N 2.86Å; E227-R229 VanDerWaalsContact C-N 3.32Å; E227-R229 PolarHBondContact O-N 2.82Å; R229-K231 PolarHBondContact O-N 3.32Å; R229-T232 WeakPolarHBondContact O-CB 3.48Å; R229-T232 PolarHBondContact O-N 3.38Å; R229-T232 VanDerWaalsContact O-N 3.14Å; R229-E233 IonicContact CZ-OE1 2.76Å; R229-E233 IonicContact NE-OE1 3.7Å; R229-E233 PolarHBondContact NE-OE1 2.93Å; R229-E233 IonicContact NH2-OE1 3.71Å; R229-E233 PolarHBondContact NH2-OE1 3.12Å; R229-E233 WeakPolarHBondContact O-CG 3.48Å; R229-E233 PolarHBondContact O-N 3.39Å |
| 230 | C | 78.5 | Confident | 78 | Confident | 79 Ų | 79 | 100 Ų | 100 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 179.1 | -133.6 | 0 | 0 | 0 | 0 | 112.2 | N226 E227 L228 T232 E233 Q234 | N226-C230 WeakPolarHBondContact O-CB 3.25Å; N226-C230 PolarHBondContact O-N 3.16Å; E227-C230 PolarHBondContact O-N 3.5Å; L228-C230 PolarHBondContact O-N 2.99Å; C230-T232 VanDerWaalsContact C-N 3.3Å; C230-T232 PolarHBondContact O-N 2.9Å; C230-E233 PolarHBondContact O-N 3.23Å; C230-Q234 WeakPolarHBondContact O-CB 3.45Å; C230-Q234 PolarHBondContact O-N 3.44Å |
| 231 | K | 78.5 | Confident | 77.3 | Confident | 136 Ų | 136 | 102.3 Ų | 102.3 | 59% | 0.591 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.3 | -37.7 | 174.3 | -73.5 | 177.3 | -177.8 | 174.2 | 0 | 112 | E227 L228 R229 Q234 A235 | E227-K231 WeakPolarHBondContact O-CG 3.39Å; E227-K231 PolarHBondContact O-N 3.49Å; L228-K231 PolarHBondContact O-N 3.39Å; R229-K231 PolarHBondContact O-N 3.32Å; K231-Q234 PolarHBondContact O-N 3.23Å; K231-A235 WeakPolarHBondContact O-CB 3.4Å; K231-A235 PolarHBondContact O-N 3.28Å |
| 232 | T | 75.8 | Confident | 76.5 | Confident | 79 Ų | 79 | 103.1 Ų | 103.1 | 49% | 0.485 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.6 | -43 | 177.4 | -44.5 | 0 | 0 | 0 | 0 | 111.1 | L228 R229 C230 Q234 A235 N236 | L228-T232 WeakPolarHBondContact O-CB 3.35Å; L228-T232 PolarHBondContact O-N 3.07Å; L228-T232 PolarHBondContact O-OG1 3.25Å; R229-T232 WeakPolarHBondContact O-CB 3.48Å; R229-T232 PolarHBondContact O-N 3.38Å; R229-T232 VanDerWaalsContact O-N 3.14Å; C230-T232 VanDerWaalsContact C-N 3.3Å; C230-T232 PolarHBondContact O-N 2.9Å; T232-Q234 PolarHBondContact O-N 3.01Å; T232-A235 PolarHBondContact O-N 3.05Å; T232-N236 WeakPolarHBondContact O-CB 3.48Å; T232-N236 VanDerWaalsContact O-CG 3.25Å; T232-N236 PolarHBondContact O-N 3.41Å; T232-N236 PolarHBondContact O-ND2 2.96Å |
| 233 | E | 79.4 | Confident | 75.4 | Confident | 95 Ų | 95 | 104 Ų | 104 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 173.8 | -72.5 | 171.2 | -169.1 | 0 | 0 | 111.5 | R229 C230 N236 A237 | R229-E233 IonicContact CZ-OE1 2.76Å; R229-E233 IonicContact NE-OE1 3.7Å; R229-E233 PolarHBondContact NE-OE1 2.93Å; R229-E233 IonicContact NH2-OE1 3.71Å; R229-E233 PolarHBondContact NH2-OE1 3.12Å; R229-E233 WeakPolarHBondContact O-CG 3.48Å; R229-E233 PolarHBondContact O-N 3.39Å; C230-E233 PolarHBondContact O-N 3.23Å; E233-N236 PolarHBondContact O-N 2.97Å; E233-A237 PolarHBondContact O-N 2.91Å |
| 234 | Q | 79 | Confident | 74.1 | Confident | 130 Ų | 130 | 105 Ų | 105 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.5 | -40.2 | 177.5 | -167.8 | 174.8 | 16.9 | 0 | 0 | 112.8 | C230 K231 T232 A237 N238 | C230-Q234 WeakPolarHBondContact O-CB 3.45Å; C230-Q234 PolarHBondContact O-N 3.44Å; K231-Q234 PolarHBondContact O-N 3.23Å; T232-Q234 PolarHBondContact O-N 3.01Å; Q234-A237 PolarHBondContact O-N 3.25Å; Q234-N238 PolarHBondContact O-N 3.24Å; Q234-N238 VanDerWaalsContact O-N 3.12Å |
| 235 | A | 73.6 | Confident | 72.7 | Confident | 53 Ų | 53 | 103.2 Ų | 103.2 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K231 T232 N238 L239 | K231-A235 WeakPolarHBondContact O-CB 3.4Å; K231-A235 PolarHBondContact O-N 3.28Å; T232-A235 PolarHBondContact O-N 3.05Å; A235-N238 PolarHBondContact O-N 2.97Å; A235-L239 PolarHBondContact O-N 3.15Å; A235-L239 VanDerWaalsContact O-N 3.11Å |
| 236 | N | 76.7 | Confident | 71.7 | Confident | 95 Ų | 95 | 100.5 Ų | 100.5 | 51% | 0.508 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 175.3 | -73.1 | -19.7 | 0 | 0 | 0 | 111.8 | T232 E233 N238 L239 T240 | T232-N236 WeakPolarHBondContact O-CB 3.48Å; T232-N236 VanDerWaalsContact O-CG 3.25Å; T232-N236 PolarHBondContact O-N 3.41Å; T232-N236 PolarHBondContact O-ND2 2.96Å; E233-N236 PolarHBondContact O-N 2.97Å; N236-N238 PolarHBondContact O-N 3.41Å; N236-L239 PolarHBondContact O-N 2.97Å; N236-T240 WeakPolarHBondContact O-CG2 3.28Å; N236-T240 PolarHBondContact O-N 2.94Å; N236-T240 PolarHBondContact O-OG1 3.45Å |
| 237 | A | 75.3 | Confident | 70.3 | Confident | 49 Ų | 49 | 101.5 Ų | 101.5 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E233 Q234 L239 T240 Q241 | E233-A237 PolarHBondContact O-N 2.91Å; Q234-A237 PolarHBondContact O-N 3.25Å; A237-L239 VanDerWaalsContact C-N 3.32Å; A237-L239 PolarHBondContact O-N 2.91Å; A237-T240 WeakPolarHBondContact CA-OG1 3.4Å; A237-T240 PolarHBondContact O-N 3.26Å; A237-T240 PolarHBondContact O-OG1 2.99Å; A237-Q241 PolarHBondContact O-N 3.4Å; A237-Q241 VanDerWaalsContact O-N 3.11Å |
| 238 | N | 74.8 | Confident | 69 | Low | 100 Ų | 100 | 100.8 Ų | 100.8 | 54% | 0.535 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.5 | -39.4 | 176.8 | -70.9 | -17 | 0 | 0 | 0 | 112.3 | Q234 A235 N236 Q241 N242 | Q234-N238 PolarHBondContact O-N 3.24Å; Q234-N238 VanDerWaalsContact O-N 3.12Å; A235-N238 PolarHBondContact O-N 2.97Å; N236-N238 PolarHBondContact O-N 3.41Å; N238-Q241 PolarHBondContact O-N 3.49Å; N238-N242 PolarHBondContact O-N 3.43Å |
| 239 | L | 69.5 | Low | 67.8 | Low | 105 Ų | 105 | 99.9 Ų | 99.9 | 55% | 0.55 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 177.4 | -139.7 | 141.1 | 0 | 0 | 0 | 110.9 | A235 N236 A237 Q241 N242 E243 | A235-L239 PolarHBondContact O-N 3.15Å; A235-L239 VanDerWaalsContact O-N 3.11Å; N236-L239 PolarHBondContact O-N 2.97Å; A237-L239 VanDerWaalsContact C-N 3.32Å; A237-L239 PolarHBondContact O-N 2.91Å; L239-Q241 VanDerWaalsContact C-N 3.3Å; L239-Q241 PolarHBondContact O-N 3.36Å; L239-N242 PolarHBondContact O-N 2.95Å; L239-E243 HydrophobicContact CD2-CG 4.5Å; L239-E243 WeakPolarHBondContact O-CG 3.45Å; L239-E243 PolarHBondContact O-N 3Å; L239-E243 VanDerWaalsContact O-N 3.09Å |
| 240 | T | 66.4 | Low | 66.3 | Low | 64 Ų | 64 | 97.4 Ų | 97.4 | 39% | 0.393 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65 | -28.5 | 176.4 | 58.5 | 0 | 0 | 0 | 0 | 114 | N236 A237 K244 | N236-T240 WeakPolarHBondContact O-CG2 3.28Å; N236-T240 PolarHBondContact O-N 2.94Å; N236-T240 PolarHBondContact O-OG1 3.45Å; A237-T240 WeakPolarHBondContact CA-OG1 3.4Å; A237-T240 PolarHBondContact O-N 3.26Å; A237-T240 PolarHBondContact O-OG1 2.99Å; T240-K244 WeakPolarHBondContact O-CG 3.46Å; T240-K244 PolarHBondContact O-N 3.3Å |
| 241 | Q | 68.2 | Low | 64.9 | Low | 142 Ų | 142 | 99.3 Ų | 99.3 | 66% | 0.664 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.2 | -38 | 175.4 | -172.5 | 169.4 | -10.3 | 0 | 0 | 112 | A237 N238 L239 | A237-Q241 PolarHBondContact O-N 3.4Å; A237-Q241 VanDerWaalsContact O-N 3.11Å; N238-Q241 PolarHBondContact O-N 3.49Å; L239-Q241 VanDerWaalsContact C-N 3.3Å; L239-Q241 PolarHBondContact O-N 3.36Å |
| 242 | N | 63.9 | Low | 63.4 | Low | 129 Ų | 129 | 104 Ų | 104 | 69% | 0.69 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.7 | -39.4 | 173.7 | -97 | -6.3 | 0 | 0 | 0 | 112.4 | N238 L239 K244 A245 | N238-N242 PolarHBondContact O-N 3.43Å; L239-N242 PolarHBondContact O-N 2.95Å; N242-K244 VanDerWaalsContact C-N 3.32Å; N242-K244 PolarHBondContact O-N 2.89Å; N242-A245 PolarHBondContact O-N 3.27Å |
| 243 | E | 55.5 | Low | 61.9 | Low | 71 Ų | 71 | 111.6 Ų | 111.6 | 33% | 0.332 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.8 | -33.4 | 178 | -69.9 | -176.5 | 154.7 | 0 | 0 | 113.1 | L239 A245 V246 R247 | L239-E243 HydrophobicContact CD2-CG 4.5Å; L239-E243 WeakPolarHBondContact O-CG 3.45Å; L239-E243 PolarHBondContact O-N 3Å; L239-E243 VanDerWaalsContact O-N 3.09Å; E243-A245 PolarHBondContact O-N 3.08Å; E243-V246 PolarHBondContact O-N 3.27Å; E243-V246 VanDerWaalsContact O-N 3.13Å; E243-R247 VanDerWaalsContact CB-NH1 3.34Å; E243-R247 VanDerWaalsContact CD-NH2 3.3Å; E243-R247 WeakPolarHBondContact O-CG 3.42Å; E243-R247 PolarHBondContact O-N 2.85Å; E243-R247 IonicContact OE1-NH2 2.72Å; E243-R247 IonicContact OE2-CZ 2.94Å; E243-R247 VanDerWaalsContact OE2-CZ 3.24Å; E243-R247 IonicContact OE2-NH1 3.56Å; E243-R247 PolarHBondContact OE2-NH1 3.47Å; E243-R247 IonicContact OE2-NH2 3.88Å; E243-R247 PolarHBondContact OE2-NH2 2.85Å |
| 244 | K | 56.2 | Low | 60.5 | Low | 146 Ų | 146 | 109.9 Ų | 109.9 | 64% | 0.635 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.5 | -28.8 | 177.3 | -78.9 | 175.4 | -179.5 | 178.4 | 0 | 113.1 | T240 N242 V246 | T240-K244 WeakPolarHBondContact O-CG 3.46Å; T240-K244 PolarHBondContact O-N 3.3Å; N242-K244 VanDerWaalsContact C-N 3.32Å; N242-K244 PolarHBondContact O-N 2.89Å; K244-V246 VanDerWaalsContact C-N 3.34Å |
| 245 | A | 56 | Low | 59.3 | Low | 74 Ų | 74 | 108.6 Ų | 108.6 | 61% | 0.612 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -72.6 | -26.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | N242 E243 T248 | N242-A245 PolarHBondContact O-N 3.27Å; E243-A245 PolarHBondContact O-N 3.08Å; A245-T248 PolarHBondContact O-OG1 3.38Å |
| 246 | V | 56.8 | Low | 58.2 | Low | 109 Ų | 109 | 110.7 Ų | 110.7 | 66% | 0.661 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -89.7 | -30.9 | 178.6 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | E243 K244 T248 A249 | E243-V246 PolarHBondContact O-N 3.27Å; E243-V246 VanDerWaalsContact O-N 3.13Å; K244-V246 VanDerWaalsContact C-N 3.34Å; V246-T248 PolarHBondContact O-N 3.07Å; V246-A249 PolarHBondContact O-N 3.42Å |
| 247 | R | 51 | Low | 56.8 | Low | 109 Ų | 109 | 113.8 Ų | 113.8 | 41% | 0.411 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.6 | -27.7 | -177.2 | -77.3 | -171 | -172.6 | 111 | 6 | 115.2 | E243 A249 S250 E251 | E243-R247 VanDerWaalsContact CB-NH1 3.34Å; E243-R247 VanDerWaalsContact CD-NH2 3.3Å; E243-R247 WeakPolarHBondContact O-CG 3.42Å; E243-R247 PolarHBondContact O-N 2.85Å; E243-R247 IonicContact OE1-NH2 2.72Å; E243-R247 IonicContact OE2-CZ 2.94Å; E243-R247 VanDerWaalsContact OE2-CZ 3.24Å; E243-R247 IonicContact OE2-NH1 3.56Å; E243-R247 PolarHBondContact OE2-NH1 3.47Å; E243-R247 IonicContact OE2-NH2 3.88Å; E243-R247 PolarHBondContact OE2-NH2 2.85Å; R247-A249 PolarHBondContact O-N 3.41Å; R247-A249 VanDerWaalsContact O-N 3.09Å; R247-S250 PolarHBondContact O-N 3.24Å; R247-E251 HydrophobicContact CB-CG 4.49Å; R247-E251 WeakPolarHBondContact O-CG 3.5Å; R247-E251 PolarHBondContact O-N 3.4Å; R247-E251 VanDerWaalsContact O-N 3.15Å |
| 248 | T | 53.4 | Low | 55.8 | Low | 105 Ų | 105 | 116.5 Ų | 116.5 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -18.6 | 175.7 | 42 | 0 | 0 | 0 | 0 | 114.1 | A245 V246 | A245-T248 PolarHBondContact O-OG1 3.38Å; V246-T248 PolarHBondContact O-N 3.07Å |
| 249 | A | 52 | Low | 54.8 | Low | 89 Ų | 89 | 115.3 Ų | 115.3 | 74% | 0.736 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -23.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V246 R247 | V246-A249 PolarHBondContact O-N 3.42Å; R247-A249 PolarHBondContact O-N 3.41Å; R247-A249 VanDerWaalsContact O-N 3.09Å |
| 250 | S | 52.9 | Low | 54 | Low | 86 Ų | 86 | 116.9 Ų | 116.9 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -27 | -172.9 | -174 | 0 | 0 | 0 | 0 | 113.5 | R247 R252 R253 | R247-S250 PolarHBondContact O-N 3.24Å; S250-R252 PolarHBondContact O-N 2.9Å; S250-R253 PolarHBondContact O-N 2.97Å |
| 251 | E | 47.7 | Very low | 53.6 | Low | 119 Ų | 119 | 118 Ų | 118 | 56% | 0.556 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.2 | -2.8 | -170.1 | -76 | 171.2 | 174.6 | 0 | 0 | 116.1 | R247 R253 | R247-E251 HydrophobicContact CB-CG 4.49Å; R247-E251 WeakPolarHBondContact O-CG 3.5Å; R247-E251 PolarHBondContact O-N 3.4Å; R247-E251 VanDerWaalsContact O-N 3.15Å; E251-R253 VanDerWaalsContact C-N 3.31Å; E251-R253 PolarHBondContact O-N 2.92Å |
| 252 | R | 46.5 | Very low | 53.4 | Low | 234 Ų | 234 | 113.4 Ų | 113.4 | 88% | 0.883 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74 | -14.2 | 171.1 | -71 | -163 | -166.1 | 109.9 | 2.2 | 114.7 | S250 | S250-R252 PolarHBondContact O-N 2.9Å |
| 253 | R | 46.2 | Very low | 53.5 | Low | 240 Ų | 240 | 110.1 Ų | 110.1 | 91% | 0.906 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -108.4 | -24.7 | -177.5 | -77.5 | -171.7 | -156.1 | 134.1 | 5.5 | 116.5 | S250 E251 | S250-R253 PolarHBondContact O-N 2.97Å; E251-R253 VanDerWaalsContact C-N 3.31Å; E251-R253 PolarHBondContact O-N 2.92Å |
| 254 | S | 49.1 | Very low | 54.1 | Low | 58 Ų | 58 | 112.9 Ų | 112.9 | 41% | 0.406 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -104.2 | -5 | -169.7 | -173.8 | 0 | 0 | 0 | 0 | 115.1 | A256 E257 | S254-A256 PolarHBondContact O-N 3.24Å; S254-A256 VanDerWaalsContact O-N 3.14Å; S254-E257 PolarHBondContact O-N 3.47Å |
| 255 | S | 52.9 | Low | 54.8 | Low | 104 Ų | 104 | 111.7 Ų | 111.7 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -11.8 | -173.8 | -147.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 256 | A | 51.1 | Low | 55.7 | Low | 96 Ų | 96 | 116.6 Ų | 116.6 | 79% | 0.793 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -26 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | S254 | S254-A256 PolarHBondContact O-N 3.24Å; S254-A256 VanDerWaalsContact O-N 3.14Å |
| 257 | E | 46.9 | Very low | 56.6 | Low | 160 Ų | 160 | 114.2 Ų | 114.2 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -26.5 | -175.1 | -91.2 | 166.1 | 157.9 | 0 | 0 | 114.1 | S254 A259 | S254-E257 PolarHBondContact O-N 3.47Å; E257-A259 VanDerWaalsContact C-N 3.32Å; E257-A259 PolarHBondContact O-N 2.94Å |
| 258 | N | 54.6 | Low | 58 | Low | 106 Ų | 106 | 113.6 Ų | 113.6 | 57% | 0.567 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -75.4 | -12.9 | -175.7 | -74.2 | -27.6 | 0 | 0 | 0 | 115.3 | L260 | N258-L260 VanDerWaalsContact C-N 3.33Å; N258-L260 PolarHBondContact O-N 3.11Å |
| 259 | A | 54.5 | Low | 59.2 | Low | 76 Ų | 76 | 113.4 Ų | 113.4 | 63% | 0.628 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.2 | -29 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | E257 | E257-A259 VanDerWaalsContact C-N 3.32Å; E257-A259 PolarHBondContact O-N 2.94Å |
| 260 | L | 51.6 | Low | 60.6 | Low | 137 Ų | 137 | 115.2 Ų | 115.2 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -80.2 | -35.5 | -178.6 | -103.1 | 158.8 | 0 | 0 | 0 | 113 | N258 | N258-L260 VanDerWaalsContact C-N 3.33Å; N258-L260 PolarHBondContact O-N 3.11Å |
| 261 | V | 59.7 | Low | 62.1 | Low | 88 Ų | 88 | 115.1 Ų | 115.1 | 53% | 0.533 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71.8 | -33.8 | -179.3 | 179 | 0 | 0 | 0 | 0 | 112.1 | A263 H264 H265 | V261-A263 VanDerWaalsContact C-N 3.28Å; V261-A263 PolarHBondContact O-N 3.28Å; V261-H264 PolarHBondContact O-N 3.01Å; V261-H265 PolarHBondContact O-N 3.01Å |
| 262 | A | 62.9 | Low | 63.7 | Low | 45 Ų | 45 | 113.3 Ų | 113.3 | 37% | 0.372 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.2 | -25.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 263 | A | 65.8 | Low | 65.5 | Low | 60 Ų | 60 | 109 Ų | 109 | 50% | 0.496 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.4 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V261 | V261-A263 VanDerWaalsContact C-N 3.28Å; V261-A263 PolarHBondContact O-N 3.28Å |
| 264 | H | 67.8 | Low | 67.3 | Low | 130 Ų | 130 | 102.3 Ų | 102.3 | 60% | 0.602 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67 | -45.2 | 178.7 | -85.2 | -72.7 | 0 | 0 | 0 | 112.8 | V261 R266 A267 D268 | V261-H264 PolarHBondContact O-N 3.01Å; H264-R266 PolarHBondContact O-N 3Å; H264-A267 PolarHBondContact O-N 3.16Å; H264-A267 VanDerWaalsContact O-N 3.1Å; H264-D268 PolarHBondContact O-N 3.3Å |
| 265 | H | 71.4 | Confident | 69.1 | Low | 121 Ų | 121 | 102.7 Ų | 102.7 | 56% | 0.56 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.3 | -30.1 | 179.3 | -96.5 | 44.9 | 0 | 0 | 0 | 114 | V261 N269 | V261-H265 PolarHBondContact O-N 3.01Å; H265-N269 VanDerWaalsContact O-CG 3.28Å; H265-N269 PolarHBondContact O-N 2.9Å; H265-N269 PolarHBondContact O-ND2 2.96Å |
| 266 | R | 75 | Confident | 70.6 | Confident | 177 Ų | 177 | 102 Ų | 102 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.4 | -36.7 | 176.7 | -75 | -177.8 | -174.2 | 139.6 | 1.9 | 112.1 | H264 L270 | H264-R266 PolarHBondContact O-N 3Å; R266-L270 WeakPolarHBondContact O-CG 3.43Å; R266-L270 PolarHBondContact O-N 3.23Å |
| 267 | A | 76.2 | Confident | 72.3 | Confident | 58 Ų | 58 | 100.7 Ų | 100.7 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | H264 N269 L270 C271 | H264-A267 PolarHBondContact O-N 3.16Å; H264-A267 VanDerWaalsContact O-N 3.1Å; A267-N269 PolarHBondContact O-N 3.31Å; A267-L270 PolarHBondContact O-N 2.86Å; A267-C271 PolarHBondContact O-N 2.91Å |
| 268 | D | 79.5 | Confident | 74.2 | Confident | 97 Ų | 97 | 98.5 Ų | 98.5 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | -179.7 | -65.8 | -25.3 | 0 | 0 | 0 | 112.6 | H264 L270 C271 T272 | H264-D268 PolarHBondContact O-N 3.3Å; D268-L270 VanDerWaalsContact C-N 3.32Å; D268-L270 PolarHBondContact O-N 3.36Å; D268-C271 PolarHBondContact O-N 2.92Å; D268-T272 WeakPolarHBondContact O-CG2 3.41Å; D268-T272 PolarHBondContact O-N 3.37Å; D268-T272 PolarHBondContact O-OG1 2.91Å |
| 269 | N | 78.2 | Confident | 75.7 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.2 | -36.1 | 175.7 | -74.3 | -23.3 | 0 | 0 | 0 | 112.6 | H265 A267 T272 R273 | H265-N269 VanDerWaalsContact O-CG 3.28Å; H265-N269 PolarHBondContact O-N 2.9Å; H265-N269 PolarHBondContact O-ND2 2.96Å; A267-N269 PolarHBondContact O-N 3.31Å; N269-T272 WeakPolarHBondContact CA-OG1 3.42Å; N269-T272 PolarHBondContact O-OG1 2.95Å; N269-R273 WeakPolarHBondContact O-CB 3.46Å; N269-R273 PolarHBondContact O-N 3.5Å |
| 270 | L | 82.6 | Confident | 77.2 | Confident | 126 Ų | 126 | 99.7 Ų | 99.7 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.3 | -37.8 | 174.7 | -69.5 | 174.7 | 0 | 0 | 0 | 111.4 | R266 A267 D268 R273 N274 | R266-L270 WeakPolarHBondContact O-CG 3.43Å; R266-L270 PolarHBondContact O-N 3.23Å; A267-L270 PolarHBondContact O-N 2.86Å; D268-L270 VanDerWaalsContact C-N 3.32Å; D268-L270 PolarHBondContact O-N 3.36Å; L270-R273 PolarHBondContact O-N 3.23Å; L270-N274 PolarHBondContact O-N 3.34Å |
| 271 | C | 83.5 | Confident | 78.8 | Confident | 84 Ų | 84 | 98.9 Ų | 98.9 | 57% | 0.568 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -45.1 | 177.6 | -145.3 | 0 | 0 | 0 | 0 | 111.7 | A267 D268 N274 T275 | A267-C271 PolarHBondContact O-N 2.91Å; D268-C271 PolarHBondContact O-N 2.92Å; C271-N274 PolarHBondContact O-N 3.24Å; C271-T275 PolarHBondContact O-N 2.89Å; C271-T275 PolarHBondContact O-OG1 2.87Å |
| 272 | T | 82.3 | Confident | 80.2 | Confident | 82 Ų | 82 | 98.5 Ų | 98.5 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 175.6 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | D268 N269 N274 T275 Q276 | D268-T272 WeakPolarHBondContact O-CG2 3.41Å; D268-T272 PolarHBondContact O-N 3.37Å; D268-T272 PolarHBondContact O-OG1 2.91Å; N269-T272 WeakPolarHBondContact CA-OG1 3.42Å; N269-T272 PolarHBondContact O-OG1 2.95Å; T272-N274 VanDerWaalsContact C-N 3.29Å; T272-N274 PolarHBondContact O-N 3.38Å; T272-T275 WeakPolarHBondContact CA-OG1 3.37Å; T272-T275 PolarHBondContact O-N 3.49Å; T272-T275 PolarHBondContact O-OG1 2.73Å; T272-Q276 PolarHBondContact O-N 2.96Å |
| 273 | R | 84.6 | Confident | 81.3 | Confident | 142 Ų | 142 | 100 Ų | 100 | 54% | 0.536 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.1 | -43 | 173.4 | -173.5 | 82 | 176.9 | 117.4 | 1 | 111.4 | N269 L270 Q276 L277 | N269-R273 WeakPolarHBondContact O-CB 3.46Å; N269-R273 PolarHBondContact O-N 3.5Å; L270-R273 PolarHBondContact O-N 3.23Å; R273-Q276 PolarHBondContact O-N 3.27Å; R273-L277 HydrophobicContact CG-CD1 4.24Å; R273-L277 WeakPolarHBondContact O-CG 3.5Å; R273-L277 PolarHBondContact O-N 2.83Å |
| 274 | N | 82.4 | Confident | 82.4 | Confident | 100 Ų | 100 | 102 Ų | 102 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 178.8 | -124.8 | -2.7 | 0 | 0 | 0 | 111.4 | L270 C271 T272 Q276 L277 E278 | L270-N274 PolarHBondContact O-N 3.34Å; C271-N274 PolarHBondContact O-N 3.24Å; T272-N274 VanDerWaalsContact C-N 3.29Å; T272-N274 PolarHBondContact O-N 3.38Å; N274-Q276 VanDerWaalsContact C-N 3.26Å; N274-Q276 PolarHBondContact O-N 3.01Å; N274-L277 PolarHBondContact O-N 3.32Å; N274-L277 VanDerWaalsContact O-N 3.17Å; N274-E278 WeakPolarHBondContact O-CG 3.35Å; N274-E278 PolarHBondContact O-N 3.14Å |
| 275 | T | 88.6 | Confident | 83.4 | Confident | 66 Ų | 66 | 102.1 Ų | 102.1 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -32.5 | 175.8 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | C271 T272 K279 | C271-T275 PolarHBondContact O-N 2.89Å; C271-T275 PolarHBondContact O-OG1 2.87Å; T272-T275 WeakPolarHBondContact CA-OG1 3.37Å; T272-T275 PolarHBondContact O-N 3.49Å; T272-T275 PolarHBondContact O-OG1 2.73Å; T275-K279 WeakPolarHBondContact O-CG 3.41Å; T275-K279 PolarHBondContact O-N 3.01Å |
| 276 | Q | 83.5 | Confident | 84.4 | Confident | 91 Ų | 91 | 99.9 Ų | 99.9 | 43% | 0.425 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.1 | -43.9 | 175.2 | -175.7 | 63.8 | 20.3 | 0 | 0 | 111.5 | T272 R273 N274 E278 K279 E280 | T272-Q276 PolarHBondContact O-N 2.96Å; R273-Q276 PolarHBondContact O-N 3.27Å; N274-Q276 VanDerWaalsContact C-N 3.26Å; N274-Q276 PolarHBondContact O-N 3.01Å; Q276-E278 VanDerWaalsContact C-N 3.32Å; Q276-E278 PolarHBondContact O-N 3.02Å; Q276-K279 WeakPolarHBondContact O-CB 3.28Å; Q276-K279 PolarHBondContact O-N 2.84Å; Q276-E280 PolarHBondContact NE2-OE1 3.47Å; Q276-E280 PolarHBondContact O-N 2.97Å |
| 277 | L | 85.9 | Confident | 85 | Confident | 67 Ų | 67 | 99.2 Ų | 99.2 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -36.6 | 176.7 | -72.8 | 172.5 | 0 | 0 | 0 | 111.8 | R273 N274 E280 L281 | R273-L277 HydrophobicContact CG-CD1 4.24Å; R273-L277 WeakPolarHBondContact O-CG 3.5Å; R273-L277 PolarHBondContact O-N 2.83Å; N274-L277 PolarHBondContact O-N 3.32Å; N274-L277 VanDerWaalsContact O-N 3.17Å; L277-E280 PolarHBondContact O-N 3.4Å; L277-L281 WeakPolarHBondContact O-CB 3.47Å; L277-L281 PolarHBondContact O-N 2.83Å |
| 278 | E | 87.9 | Confident | 85.6 | Confident | 115 Ų | 115 | 99.2 Ų | 99.2 | 54% | 0.537 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 172.8 | -73.5 | 173.6 | 171.7 | 0 | 0 | 111.7 | N274 Q276 L281 T282 | N274-E278 WeakPolarHBondContact O-CG 3.35Å; N274-E278 PolarHBondContact O-N 3.14Å; Q276-E278 VanDerWaalsContact C-N 3.32Å; Q276-E278 PolarHBondContact O-N 3.02Å; E278-L281 PolarHBondContact O-N 3.37Å; E278-T282 VanDerWaalsContact O-CG2 3.3Å; E278-T282 WeakPolarHBondContact O-CG2 3.38Å; E278-T282 PolarHBondContact O-N 3.23Å; E278-T282 PolarHBondContact O-OG1 2.89Å |
| 279 | K | 85.9 | Confident | 86 | Confident | 129 Ų | 129 | 99.1 Ų | 99.1 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64 | -40.8 | 174 | -71.5 | 173.3 | -175.4 | 175.8 | 0 | 112.4 | T275 Q276 T282 T283 | T275-K279 WeakPolarHBondContact O-CG 3.41Å; T275-K279 PolarHBondContact O-N 3.01Å; Q276-K279 WeakPolarHBondContact O-CB 3.28Å; Q276-K279 PolarHBondContact O-N 2.84Å; K279-T282 WeakPolarHBondContact CA-OG1 3.34Å; K279-T282 PolarHBondContact O-N 3.09Å; K279-T282 PolarHBondContact O-OG1 3.3Å; K279-T283 WeakPolarHBondContact O-CG2 3.41Å; K279-T283 PolarHBondContact O-N 3.48Å; K279-T283 PolarHBondContact O-OG1 2.92Å |
| 280 | E | 85.6 | Confident | 86.6 | Confident | 77 Ų | 77 | 99.7 Ų | 99.7 | 36% | 0.36 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.1 | -73.3 | 171.8 | -161.8 | 0 | 0 | 111.3 | Q276 L277 T283 I284 | Q276-E280 PolarHBondContact NE2-OE1 3.47Å; Q276-E280 PolarHBondContact O-N 2.97Å; L277-E280 PolarHBondContact O-N 3.4Å; E280-T283 WeakPolarHBondContact CA-OG1 3.3Å; E280-T283 PolarHBondContact O-N 3.45Å; E280-T283 PolarHBondContact O-OG1 3.47Å; E280-I284 WeakPolarHBondContact O-CB 3.16Å; E280-I284 VanDerWaalsContact O-CG1 3.26Å; E280-I284 WeakPolarHBondContact O-CG1 3.41Å; E280-I284 PolarHBondContact O-N 3.47Å |
| 281 | L | 85.8 | Confident | 86.9 | Confident | 120 Ų | 120 | 98.8 Ų | 98.8 | 63% | 0.628 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -44.9 | 175.7 | -114.1 | 160.9 | 0 | 0 | 0 | 111.8 | L277 E278 I284 K285 | L277-L281 WeakPolarHBondContact O-CB 3.47Å; L277-L281 PolarHBondContact O-N 2.83Å; E278-L281 PolarHBondContact O-N 3.37Å; L281-I284 PolarHBondContact O-N 2.94Å; L281-K285 VanDerWaalsContact O-CB 3.28Å; L281-K285 WeakPolarHBondContact O-CB 3.44Å; L281-K285 PolarHBondContact O-N 2.96Å |
| 282 | T | 88.5 | Confident | 87.2 | Confident | 81 Ų | 81 | 97.1 Ų | 97.1 | 50% | 0.497 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 176.6 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | E278 K279 K285 V286 | E278-T282 VanDerWaalsContact O-CG2 3.3Å; E278-T282 WeakPolarHBondContact O-CG2 3.38Å; E278-T282 PolarHBondContact O-N 3.23Å; E278-T282 PolarHBondContact O-OG1 2.89Å; K279-T282 WeakPolarHBondContact CA-OG1 3.34Å; K279-T282 PolarHBondContact O-N 3.09Å; K279-T282 PolarHBondContact O-OG1 3.3Å; T282-K285 PolarHBondContact O-N 3.38Å; T282-V286 WeakPolarHBondContact O-CG2 3.44Å; T282-V286 PolarHBondContact O-N 3.37Å |
| 283 | T | 86.2 | Confident | 87.7 | Confident | 75 Ų | 75 | 99.5 Ų | 99.5 | 46% | 0.46 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 178.3 | 45.5 | 0 | 0 | 0 | 0 | 112.7 | K279 E280 K285 R287 | K279-T283 WeakPolarHBondContact O-CG2 3.41Å; K279-T283 PolarHBondContact O-N 3.48Å; K279-T283 PolarHBondContact O-OG1 2.92Å; E280-T283 WeakPolarHBondContact CA-OG1 3.3Å; E280-T283 PolarHBondContact O-N 3.45Å; E280-T283 PolarHBondContact O-OG1 3.47Å; T283-K285 VanDerWaalsContact C-N 3.33Å; T283-R287 WeakPolarHBondContact O-CB 3.41Å; T283-R287 PolarHBondContact O-N 3.44Å |
| 284 | I | 88.3 | Confident | 88 | Confident | 102 Ų | 102 | 96.2 Ų | 96.2 | 52% | 0.523 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 172.6 | -69 | 168.6 | 0 | 0 | 0 | 110.4 | E280 L281 R287 A288 | E280-I284 WeakPolarHBondContact O-CB 3.16Å; E280-I284 VanDerWaalsContact O-CG1 3.26Å; E280-I284 WeakPolarHBondContact O-CG1 3.41Å; E280-I284 PolarHBondContact O-N 3.47Å; L281-I284 PolarHBondContact O-N 2.94Å; I284-R287 PolarHBondContact O-N 3.21Å; I284-A288 WeakPolarHBondContact O-CB 3.47Å; I284-A288 PolarHBondContact O-N 3.46Å |
| 285 | K | 90.5 | Very high | 88.3 | Confident | 133 Ų | 133 | 95.2 Ų | 95.2 | 58% | 0.578 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.2 | -45.9 | 178.1 | -169.7 | 177.1 | 178.1 | -175.9 | 0 | 112.1 | L281 T282 T283 R287 A288 E289 | L281-K285 VanDerWaalsContact O-CB 3.28Å; L281-K285 WeakPolarHBondContact O-CB 3.44Å; L281-K285 PolarHBondContact O-N 2.96Å; T282-K285 PolarHBondContact O-N 3.38Å; T283-K285 VanDerWaalsContact C-N 3.33Å; K285-R287 VanDerWaalsContact C-N 3.34Å; K285-R287 PolarHBondContact O-N 3.43Å; K285-A288 PolarHBondContact O-N 3Å; K285-E289 WeakPolarHBondContact CE-OE1 3.33Å; K285-E289 WeakPolarHBondContact O-CG 3.47Å; K285-E289 PolarHBondContact O-N 2.95Å |
| 286 | V | 91.9 | Very high | 88.5 | Confident | 74 Ų | 74 | 97.1 Ų | 97.1 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 175.1 | 170.6 | 0 | 0 | 0 | 0 | 111 | T282 A288 E289 E290 | T282-V286 WeakPolarHBondContact O-CG2 3.44Å; T282-V286 PolarHBondContact O-N 3.37Å; V286-A288 VanDerWaalsContact C-N 3.33Å; V286-A288 PolarHBondContact O-N 3.34Å; V286-E289 PolarHBondContact O-N 2.96Å; V286-E290 PolarHBondContact O-N 3.32Å |
| 287 | R | 87.9 | Confident | 88.9 | Confident | 163 Ų | 163 | 97.3 Ų | 97.3 | 62% | 0.615 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -38.2 | 178.6 | -167.1 | -176.2 | -65.4 | 127.9 | -0.6 | 112.2 | T283 I284 K285 E290 Q291 | T283-R287 WeakPolarHBondContact O-CB 3.41Å; T283-R287 PolarHBondContact O-N 3.44Å; I284-R287 PolarHBondContact O-N 3.21Å; K285-R287 VanDerWaalsContact C-N 3.34Å; K285-R287 PolarHBondContact O-N 3.43Å; R287-E290 PolarHBondContact O-N 3.19Å; R287-Q291 WeakPolarHBondContact O-CB 3.46Å; R287-Q291 PolarHBondContact O-N 2.99Å |
| 288 | A | 87.3 | Confident | 89 | Confident | 59 Ų | 59 | 97.2 Ų | 97.2 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I284 K285 V286 Q291 A292 | I284-A288 WeakPolarHBondContact O-CB 3.47Å; I284-A288 PolarHBondContact O-N 3.46Å; K285-A288 PolarHBondContact O-N 3Å; V286-A288 VanDerWaalsContact C-N 3.33Å; V286-A288 PolarHBondContact O-N 3.34Å; A288-Q291 PolarHBondContact O-N 3.32Å; A288-A292 WeakPolarHBondContact O-CB 3.41Å; A288-A292 PolarHBondContact O-N 2.95Å |
| 289 | E | 89.8 | Confident | 89 | Confident | 95 Ų | 95 | 94.7 Ų | 94.7 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 174.7 | -73.3 | 174 | -166.8 | 0 | 0 | 112.1 | K285 V286 A292 K293 | K285-E289 WeakPolarHBondContact CE-OE1 3.33Å; K285-E289 WeakPolarHBondContact O-CG 3.47Å; K285-E289 PolarHBondContact O-N 2.95Å; V286-E289 PolarHBondContact O-N 2.96Å; E289-A292 PolarHBondContact O-N 3.36Å; E289-K293 WeakPolarHBondContact O-CG 3.29Å; E289-K293 PolarHBondContact O-N 3.46Å |
| 290 | E | 89.6 | Confident | 89.2 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 173.5 | -81.6 | 170.4 | 153.2 | 0 | 0 | 112.1 | V286 R287 A292 K293 V294 | V286-E290 PolarHBondContact O-N 3.32Å; R287-E290 PolarHBondContact O-N 3.19Å; E290-A292 VanDerWaalsContact C-N 3.32Å; E290-A292 PolarHBondContact O-N 3.34Å; E290-K293 PolarHBondContact O-N 3.36Å; E290-V294 WeakPolarHBondContact O-CG2 3.31Å; E290-V294 PolarHBondContact O-N 3.3Å |
| 291 | Q | 89.6 | Confident | 89.5 | Confident | 106 Ų | 106 | 94.1 Ų | 94.1 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 176.1 | -170.9 | 60.5 | 49.6 | 0 | 0 | 111.8 | R287 A288 V294 N295 | R287-Q291 WeakPolarHBondContact O-CB 3.46Å; R287-Q291 PolarHBondContact O-N 2.99Å; A288-Q291 PolarHBondContact O-N 3.32Å; Q291-V294 PolarHBondContact O-N 3.48Å; Q291-N295 PolarHBondContact NE2-OD1 3.48Å; Q291-N295 WeakPolarHBondContact O-CB 3.26Å; Q291-N295 PolarHBondContact O-N 2.87Å; Q291-N295 PolarHBondContact O-OD1 2.89Å |
| 292 | A | 88.8 | Confident | 89.6 | Confident | 49 Ų | 49 | 94 Ų | 94 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A288 E289 E290 V294 N295 D296 | A288-A292 WeakPolarHBondContact O-CB 3.41Å; A288-A292 PolarHBondContact O-N 2.95Å; E289-A292 PolarHBondContact O-N 3.36Å; E290-A292 VanDerWaalsContact C-N 3.32Å; E290-A292 PolarHBondContact O-N 3.34Å; A292-V294 PolarHBondContact O-N 2.96Å; A292-N295 PolarHBondContact O-N 2.91Å; A292-D296 PolarHBondContact O-N 3.3Å |
| 293 | K | 92.8 | Very high | 89.7 | Confident | 133 Ų | 133 | 96.6 Ų | 96.6 | 58% | 0.578 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 174.9 | -72.4 | 172.4 | -175.2 | 173.2 | 0 | 112.6 | E289 E290 N295 D296 I297 | E289-K293 WeakPolarHBondContact O-CG 3.29Å; E289-K293 PolarHBondContact O-N 3.46Å; E290-K293 PolarHBondContact O-N 3.36Å; K293-N295 VanDerWaalsContact C-N 3.33Å; K293-D296 PolarHBondContact O-N 2.89Å; K293-I297 VanDerWaalsContact O-CG1 3.3Å; K293-I297 WeakPolarHBondContact O-CG1 3.32Å; K293-I297 PolarHBondContact O-N 3.33Å |
| 294 | V | 90.9 | Very high | 89.9 | Confident | 73 Ų | 73 | 100.9 Ų | 100.9 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 176.2 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | E290 Q291 A292 I297 T298 | E290-V294 WeakPolarHBondContact O-CG2 3.31Å; E290-V294 PolarHBondContact O-N 3.3Å; Q291-V294 PolarHBondContact O-N 3.48Å; A292-V294 PolarHBondContact O-N 2.96Å; V294-I297 PolarHBondContact O-N 3.16Å; V294-T298 WeakPolarHBondContact O-CG2 2.86Å; V294-T298 PolarHBondContact O-N 2.87Å |
| 295 | N | 89.8 | Confident | 90 | Very high | 78 Ų | 78 | 104.7 Ų | 104.7 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 177.2 | -69.2 | -7.7 | 0 | 0 | 0 | 112.1 | Q291 A292 K293 I297 T298 V299 | Q291-N295 PolarHBondContact NE2-OD1 3.48Å; Q291-N295 WeakPolarHBondContact O-CB 3.26Å; Q291-N295 PolarHBondContact O-N 2.87Å; Q291-N295 PolarHBondContact O-OD1 2.89Å; A292-N295 PolarHBondContact O-N 2.91Å; K293-N295 VanDerWaalsContact C-N 3.33Å; N295-I297 VanDerWaalsContact C-N 3.31Å; N295-I297 PolarHBondContact O-N 3.4Å; N295-T298 WeakPolarHBondContact CA-OG1 3.42Å; N295-T298 PolarHBondContact O-N 3.4Å; N295-T298 PolarHBondContact O-OG1 3.31Å; N295-V299 WeakPolarHBondContact O-CB 3.35Å; N295-V299 VanDerWaalsContact O-CG2 3.28Å; N295-V299 WeakPolarHBondContact O-CG2 3.25Å; N295-V299 PolarHBondContact O-N 3.47Å |
| 296 | D | 92.2 | Very high | 89.8 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 57% | 0.572 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.3 | -39.2 | 174.4 | -82 | -18.7 | 0 | 0 | 0 | 111.7 | A292 K293 T300 | A292-D296 PolarHBondContact O-N 3.3Å; K293-D296 PolarHBondContact O-N 2.89Å; D296-T300 WeakPolarHBondContact O-CB 3.15Å; D296-T300 PolarHBondContact O-N 2.84Å; D296-T300 PolarHBondContact O-OG1 2.93Å |
| 297 | I | 91.1 | Very high | 89.7 | Confident | 95 Ų | 95 | 105.6 Ų | 105.6 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 175 | -67.3 | 164.3 | 0 | 0 | 0 | 110.9 | K293 V294 N295 T300 K301 | K293-I297 VanDerWaalsContact O-CG1 3.3Å; K293-I297 WeakPolarHBondContact O-CG1 3.32Å; K293-I297 PolarHBondContact O-N 3.33Å; V294-I297 PolarHBondContact O-N 3.16Å; N295-I297 VanDerWaalsContact C-N 3.31Å; N295-I297 PolarHBondContact O-N 3.4Å; I297-T300 PolarHBondContact O-N 3.07Å; I297-K301 HydrophobicContact CG2-CD 4.36Å; I297-K301 WeakPolarHBondContact O-CG 3.4Å; I297-K301 PolarHBondContact O-N 2.9Å |
| 298 | T | 88.8 | Confident | 89.7 | Confident | 64 Ų | 64 | 99.8 Ų | 99.8 | 39% | 0.393 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -43.4 | 179.3 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | V294 N295 T300 K301 L302 | V294-T298 WeakPolarHBondContact O-CG2 2.86Å; V294-T298 PolarHBondContact O-N 2.87Å; N295-T298 WeakPolarHBondContact CA-OG1 3.42Å; N295-T298 PolarHBondContact O-N 3.4Å; N295-T298 PolarHBondContact O-OG1 3.31Å; T298-T300 VanDerWaalsContact C-N 3.3Å; T298-T300 PolarHBondContact O-N 3.48Å; T298-K301 PolarHBondContact O-N 3.15Å; T298-L302 WeakPolarHBondContact O-CG 3.45Å; T298-L302 PolarHBondContact O-N 3.44Å |
| 299 | V | 88.7 | Confident | 89.7 | Confident | 63 Ų | 63 | 101.4 Ų | 101.4 | 38% | 0.382 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.1 | -42.3 | 173.9 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | N295 L302 K303 | N295-V299 WeakPolarHBondContact O-CB 3.35Å; N295-V299 VanDerWaalsContact O-CG2 3.28Å; N295-V299 WeakPolarHBondContact O-CG2 3.25Å; N295-V299 PolarHBondContact O-N 3.47Å; V299-L302 PolarHBondContact O-N 3.16Å; V299-K303 HydrophobicContact CG1-CD 4.26Å; V299-K303 WeakPolarHBondContact O-CG 3.33Å; V299-K303 PolarHBondContact O-N 3.28Å |
| 300 | T | 90.3 | Very high | 89.5 | Confident | 61 Ų | 61 | 102.5 Ų | 102.5 | 37% | 0.374 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 177.5 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | D296 I297 T298 K303 R304 | D296-T300 WeakPolarHBondContact O-CB 3.15Å; D296-T300 PolarHBondContact O-N 2.84Å; D296-T300 PolarHBondContact O-OG1 2.93Å; I297-T300 PolarHBondContact O-N 3.07Å; T298-T300 VanDerWaalsContact C-N 3.3Å; T298-T300 PolarHBondContact O-N 3.48Å; T300-K303 PolarHBondContact O-N 3.22Å; T300-R304 WeakPolarHBondContact O-CG 3.31Å; T300-R304 PolarHBondContact O-N 3.45Å; T300-R304 VanDerWaalsContact O-N 3.08Å |
| 301 | K | 90.3 | Very high | 89.5 | Confident | 133 Ų | 133 | 99.8 Ų | 99.8 | 58% | 0.578 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 174.3 | -74.2 | 177 | -179 | 179.8 | 0 | 111.9 | I297 T298 R304 R305 | I297-K301 HydrophobicContact CG2-CD 4.36Å; I297-K301 WeakPolarHBondContact O-CG 3.4Å; I297-K301 PolarHBondContact O-N 2.9Å; T298-K301 PolarHBondContact O-N 3.15Å; K301-R304 PolarHBondContact O-N 2.97Å; K301-R305 PolarHBondContact O-N 3.1Å |
| 302 | L | 89.4 | Confident | 89.4 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -41.8 | 177.7 | -71 | 173.5 | 0 | 0 | 0 | 111.9 | T298 V299 R304 R305 L306 | T298-L302 WeakPolarHBondContact O-CG 3.45Å; T298-L302 PolarHBondContact O-N 3.44Å; V299-L302 PolarHBondContact O-N 3.16Å; L302-R304 PolarHBondContact O-N 3.35Å; L302-R305 PolarHBondContact O-N 3.23Å; L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 PolarHBondContact O-N 2.98Å |
| 303 | K | 90.5 | Very high | 89.3 | Confident | 136 Ų | 136 | 99.4 Ų | 99.4 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.9 | -43.8 | 173.4 | -76 | 178.8 | 178.8 | -180 | 0 | 112.2 | V299 T300 L306 L307 | V299-K303 HydrophobicContact CG1-CD 4.26Å; V299-K303 WeakPolarHBondContact O-CG 3.33Å; V299-K303 PolarHBondContact O-N 3.28Å; T300-K303 PolarHBondContact O-N 3.22Å; K303-L306 PolarHBondContact O-N 3.5Å; K303-L307 WeakPolarHBondContact O-CG 3.42Å; K303-L307 PolarHBondContact O-N 3.46Å |
| 304 | R | 90 | Very high | 89.1 | Confident | 166 Ų | 166 | 95.6 Ų | 95.6 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 175 | -69.3 | 178.8 | -160.3 | 149.4 | 4.3 | 112.1 | T300 K301 L302 L307 A308 | T300-R304 WeakPolarHBondContact O-CG 3.31Å; T300-R304 PolarHBondContact O-N 3.45Å; T300-R304 VanDerWaalsContact O-N 3.08Å; K301-R304 PolarHBondContact O-N 2.97Å; L302-R304 PolarHBondContact O-N 3.35Å; R304-L307 PolarHBondContact O-N 3.41Å; R304-A308 PolarHBondContact O-N 2.92Å |
| 305 | R | 89.4 | Confident | 89.1 | Confident | 181 Ų | 181 | 98.7 Ų | 98.7 | 68% | 0.683 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.6 | -40.3 | 177.9 | -166.5 | 170.1 | -176.9 | 162.1 | 0.2 | 111.8 | K301 L302 A308 I309 | K301-R305 PolarHBondContact O-N 3.1Å; L302-R305 PolarHBondContact O-N 3.23Å; R305-A308 PolarHBondContact O-N 3.24Å; R305-I309 HydrophobicContact CG-CD1 4.3Å; R305-I309 WeakPolarHBondContact O-CG1 3.26Å; R305-I309 PolarHBondContact O-N 3.25Å |
| 306 | L | 87.5 | Confident | 89 | Confident | 115 Ų | 115 | 104 Ų | 104 | 60% | 0.602 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -45.2 | 174.7 | -174.6 | 67.3 | 0 | 0 | 0 | 111.5 | L302 K303 A308 I309 Q310 | L302-L306 WeakPolarHBondContact O-CB 3.46Å; L302-L306 PolarHBondContact O-N 2.98Å; K303-L306 PolarHBondContact O-N 3.5Å; L306-A308 VanDerWaalsContact C-N 3.35Å; L306-A308 PolarHBondContact O-N 2.88Å; L306-I309 PolarHBondContact O-N 2.74Å; L306-Q310 WeakPolarHBondContact O-CB 3.4Å; L306-Q310 PolarHBondContact O-N 3.48Å |
| 307 | L | 89.4 | Confident | 89 | Confident | 111 Ų | 111 | 106.7 Ų | 106.7 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.1 | -40 | 175.4 | -75.1 | 169.9 | 0 | 0 | 0 | 112.3 | K303 R304 Q310 S311 | K303-L307 WeakPolarHBondContact O-CG 3.42Å; K303-L307 PolarHBondContact O-N 3.46Å; R304-L307 PolarHBondContact O-N 3.41Å; L307-Q310 PolarHBondContact O-N 3.29Å; L307-S311 WeakPolarHBondContact O-CB 3.42Å; L307-S311 PolarHBondContact O-N 3Å |
| 308 | A | 87.4 | Confident | 88.9 | Confident | 42 Ų | 42 | 109.6 Ų | 109.6 | 35% | 0.347 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R304 R305 L306 Q310 S311 E312 | R304-A308 PolarHBondContact O-N 2.92Å; R305-A308 PolarHBondContact O-N 3.24Å; L306-A308 VanDerWaalsContact C-N 3.35Å; L306-A308 PolarHBondContact O-N 2.88Å; A308-Q310 VanDerWaalsContact C-N 3.35Å; A308-Q310 PolarHBondContact O-N 2.98Å; A308-S311 PolarHBondContact O-N 3.39Å; A308-S311 PolarHBondContact O-OG 2.96Å; A308-E312 PolarHBondContact O-N 3.45Å |
| 309 | I | 87.6 | Confident | 88.9 | Confident | 93 Ų | 93 | 109.6 Ų | 109.6 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 176.6 | -67.4 | 167.1 | 0 | 0 | 0 | 111 | R305 L306 S311 E312 A313 | R305-I309 HydrophobicContact CG-CD1 4.3Å; R305-I309 WeakPolarHBondContact O-CG1 3.26Å; R305-I309 PolarHBondContact O-N 3.25Å; L306-I309 PolarHBondContact O-N 2.74Å; I309-S311 VanDerWaalsContact C-N 3.3Å; I309-S311 PolarHBondContact O-N 2.98Å; I309-E312 WeakPolarHBondContact O-CB 3.49Å; I309-E312 PolarHBondContact O-N 2.98Å; I309-A313 WeakPolarHBondContact O-CB 3.43Å; I309-A313 PolarHBondContact O-N 3.2Å |
| 310 | Q | 85.5 | Confident | 88.9 | Confident | 118 Ų | 118 | 114.5 Ų | 114.5 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.7 | -35.9 | 177.6 | -167.9 | 174.2 | 5.6 | 0 | 0 | 112 | L306 L307 A308 S314 | L306-Q310 WeakPolarHBondContact O-CB 3.4Å; L306-Q310 PolarHBondContact O-N 3.48Å; L307-Q310 PolarHBondContact O-N 3.29Å; A308-Q310 VanDerWaalsContact C-N 3.35Å; A308-Q310 PolarHBondContact O-N 2.98Å; Q310-S314 WeakPolarHBondContact O-CB 3.36Å; Q310-S314 PolarHBondContact O-N 3.29Å; Q310-S314 PolarHBondContact O-OG 3.03Å |
| 311 | S | 89.3 | Confident | 89 | Confident | 55 Ų | 55 | 116 Ų | 116 | 39% | 0.385 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69 | -36.6 | 173.9 | 80.5 | 0 | 0 | 0 | 0 | 112.3 | L307 A308 I309 S314 R315 | L307-S311 WeakPolarHBondContact O-CB 3.42Å; L307-S311 PolarHBondContact O-N 3Å; A308-S311 PolarHBondContact O-N 3.39Å; A308-S311 PolarHBondContact O-OG 2.96Å; I309-S311 VanDerWaalsContact C-N 3.3Å; I309-S311 PolarHBondContact O-N 2.98Å; S311-S314 PolarHBondContact O-N 3.42Å; S311-R315 WeakPolarHBondContact O-CG 3.27Å; S311-R315 PolarHBondContact O-N 3.14Å |
| 312 | E | 86.9 | Confident | 89.1 | Confident | 88 Ų | 88 | 115.6 Ų | 115.6 | 41% | 0.411 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.1 | -49.9 | 173.2 | -80.4 | 171.6 | -168.5 | 0 | 0 | 111.4 | A308 I309 S314 R315 W316 | A308-E312 PolarHBondContact O-N 3.45Å; I309-E312 WeakPolarHBondContact O-CB 3.49Å; I309-E312 PolarHBondContact O-N 2.98Å; E312-S314 PolarHBondContact O-N 3.04Å; E312-R315 CarbonylContact O-C 3.56Å; E312-R315 WeakPolarHBondContact O-CA 3.5Å; E312-R315 WeakPolarHBondContact O-CB 3.4Å; E312-R315 PolarHBondContact O-N 2.94Å; E312-R315 IonicContact OE1-NH2 2.73Å; E312-W316 PolarHBondContact O-N 2.89Å |
| 313 | A | 87.6 | Confident | 89.1 | Confident | 59 Ų | 59 | 114.1 Ų | 114.1 | 49% | 0.488 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.8 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I309 W316 K317 | I309-A313 WeakPolarHBondContact O-CB 3.43Å; I309-A313 PolarHBondContact O-N 3.2Å; A313-W316 PolarHBondContact O-N 3.39Å; A313-K317 WeakPolarHBondContact O-CB 3.3Å; A313-K317 PolarHBondContact O-N 2.89Å |
| 314 | S | 88.3 | Confident | 89.1 | Confident | 54 Ų | 54 | 112.4 Ų | 112.4 | 38% | 0.378 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.2 | -34.5 | 175 | -58.9 | 0 | 0 | 0 | 0 | 112.8 | Q310 S311 E312 R318 | Q310-S314 WeakPolarHBondContact O-CB 3.36Å; Q310-S314 PolarHBondContact O-N 3.29Å; Q310-S314 PolarHBondContact O-OG 3.03Å; S311-S314 PolarHBondContact O-N 3.42Å; E312-S314 PolarHBondContact O-N 3.04Å; S314-R318 PolarHBondContact O-N 3.03Å; S314-R318 VanDerWaalsContact O-N 3.12Å |
| 315 | R | 90.8 | Very high | 89.3 | Confident | 138 Ų | 138 | 108.6 Ų | 108.6 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.8 | -46.5 | 172.3 | -78.2 | -172.2 | -69.7 | 168.8 | -1.3 | 111.4 | S311 E312 K317 R318 S319 | S311-R315 WeakPolarHBondContact O-CG 3.27Å; S311-R315 PolarHBondContact O-N 3.14Å; E312-R315 CarbonylContact O-C 3.56Å; E312-R315 WeakPolarHBondContact O-CA 3.5Å; E312-R315 WeakPolarHBondContact O-CB 3.4Å; E312-R315 PolarHBondContact O-N 2.94Å; E312-R315 IonicContact OE1-NH2 2.73Å; R315-K317 PolarHBondContact O-N 3.44Å; R315-R318 PolarHBondContact O-N 3.25Å; R315-S319 WeakPolarHBondContact O-CB 3.48Å; R315-S319 PolarHBondContact O-N 3.49Å |
| 316 | W | 88.5 | Confident | 89.4 | Confident | 189 Ų | 189 | 103.5 Ų | 103.5 | 72% | 0.716 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.5 | -43.4 | 176 | -77.7 | 110.5 | 0 | 0 | 0 | 111.9 | E312 A313 R318 S319 Y320 | E312-W316 PolarHBondContact O-N 2.89Å; A313-W316 PolarHBondContact O-N 3.39Å; W316-R318 VanDerWaalsContact C-N 3.35Å; W316-R318 PolarHBondContact O-N 3.44Å; W316-S319 PolarHBondContact O-N 2.93Å; W316-Y320 VanDerWaalsContact O-CB 3.3Å; W316-Y320 WeakPolarHBondContact O-CB 3.49Å; W316-Y320 PolarHBondContact O-N 2.92Å |
| 317 | K | 91.1 | Very high | 89.5 | Confident | 164 Ų | 164 | 106 Ų | 106 | 71% | 0.713 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.5 | -41.8 | 175.7 | -171.7 | 176.4 | -178.6 | 179.7 | 0 | 112.2 | A313 R315 Q321 | A313-K317 WeakPolarHBondContact O-CB 3.3Å; A313-K317 PolarHBondContact O-N 2.89Å; R315-K317 PolarHBondContact O-N 3.44Å; K317-Q321 WeakPolarHBondContact O-CB 3.29Å; K317-Q321 PolarHBondContact O-N 3.2Å |
| 318 | R | 90.2 | Very high | 89.6 | Confident | 155 Ų | 155 | 104.6 Ų | 104.6 | 59% | 0.585 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.5 | -47.5 | 175.4 | -85.8 | -175.6 | -88.4 | 105 | -4.9 | 112.2 | S314 R315 W316 Y320 Q321 E322 | S314-R318 PolarHBondContact O-N 3.03Å; S314-R318 VanDerWaalsContact O-N 3.12Å; R315-R318 PolarHBondContact O-N 3.25Å; W316-R318 VanDerWaalsContact C-N 3.35Å; W316-R318 PolarHBondContact O-N 3.44Å; R318-Y320 VanDerWaalsContact C-N 3.33Å; R318-Y320 PolarHBondContact O-N 3.31Å; R318-Q321 PolarHBondContact O-N 3.47Å; R318-E322 WeakPolarHBondContact O-CB 3.29Å; R318-E322 PolarHBondContact O-N 3.33Å |
| 319 | S | 88.7 | Confident | 89.9 | Confident | 65 Ų | 65 | 106.3 Ų | 106.3 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 178.5 | 177.4 | 0 | 0 | 0 | 0 | 112 | R315 W316 E322 E323 | R315-S319 WeakPolarHBondContact O-CB 3.48Å; R315-S319 PolarHBondContact O-N 3.49Å; W316-S319 PolarHBondContact O-N 2.93Å; S319-E322 PolarHBondContact O-N 3.12Å; S319-E323 WeakPolarHBondContact O-CB 3.47Å; S319-E323 PolarHBondContact O-N 2.89Å |
| 320 | Y | 89.4 | Confident | 90 | Very high | 165 Ų | 165 | 106 Ų | 106 | 65% | 0.647 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.4 | -41 | 174.2 | 179.3 | -98.3 | 0 | 0 | 0 | 112.5 | W316 R318 E322 E323 K324 | W316-Y320 VanDerWaalsContact O-CB 3.3Å; W316-Y320 WeakPolarHBondContact O-CB 3.49Å; W316-Y320 PolarHBondContact O-N 2.92Å; R318-Y320 VanDerWaalsContact C-N 3.33Å; R318-Y320 PolarHBondContact O-N 3.31Å; Y320-E322 VanDerWaalsContact C-N 3.35Å; Y320-E323 PolarHBondContact O-N 2.93Å; Y320-K324 WeakPolarHBondContact O-CB 3.42Å; Y320-K324 PolarHBondContact O-N 3.28Å |
| 321 | Q | 92.3 | Very high | 90 | Very high | 93 Ų | 93 | 103.3 Ų | 103.3 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -37.9 | 176.2 | -172.7 | 62.3 | 48.5 | 0 | 0 | 112 | K317 R318 K324 N325 | K317-Q321 WeakPolarHBondContact O-CB 3.29Å; K317-Q321 PolarHBondContact O-N 3.2Å; R318-Q321 PolarHBondContact O-N 3.47Å; Q321-K324 PolarHBondContact O-N 2.93Å; Q321-N325 PolarHBondContact NE2-OD1 3.45Å; Q321-N325 WeakPolarHBondContact O-CB 3.43Å; Q321-N325 PolarHBondContact O-N 3.07Å; Q321-N325 PolarHBondContact O-ND2 3.44Å; Q321-N325 PolarHBondContact O-OD1 2.84Å |
| 322 | E | 91.3 | Very high | 90 | Very high | 124 Ų | 124 | 106 Ų | 106 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.6 | -45.1 | 175.6 | -171.6 | 170.2 | -166.6 | 0 | 0 | 111.5 | R318 S319 Y320 K324 N325 N326 | R318-E322 WeakPolarHBondContact O-CB 3.29Å; R318-E322 PolarHBondContact O-N 3.33Å; S319-E322 PolarHBondContact O-N 3.12Å; Y320-E322 VanDerWaalsContact C-N 3.35Å; E322-K324 VanDerWaalsContact C-N 3.33Å; E322-K324 PolarHBondContact O-N 3.31Å; E322-N325 PolarHBondContact O-N 3.29Å; E322-N326 WeakPolarHBondContact O-CB 3.44Å; E322-N326 VanDerWaalsContact O-CG 3.24Å; E322-N326 PolarHBondContact O-N 2.94Å; E322-N326 PolarHBondContact O-ND2 3.28Å |
| 323 | E | 89.7 | Confident | 90.2 | Very high | 86 Ų | 86 | 106.9 Ų | 106.9 | 40% | 0.402 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 173.6 | 179.6 | 62.8 | -160.9 | 0 | 0 | 111.8 | S319 Y320 N326 R327 | S319-E323 WeakPolarHBondContact O-CB 3.47Å; S319-E323 PolarHBondContact O-N 2.89Å; Y320-E323 PolarHBondContact O-N 2.93Å; E323-N326 PolarHBondContact O-N 3.12Å; E323-R327 WeakPolarHBondContact O-CG 3.44Å; E323-R327 PolarHBondContact O-N 2.96Å; E323-R327 IonicContact OE1-CZ 2.85Å; E323-R327 IonicContact OE1-NE 3.55Å; E323-R327 PolarHBondContact OE1-NE 3.02Å; E323-R327 IonicContact OE1-NH2 3.33Å; E323-R327 PolarHBondContact OE1-NH2 2.71Å |
| 324 | K | 90.2 | Very high | 90.1 | Very high | 100 Ų | 100 | 107.7 Ų | 107.7 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 174.2 | -176.6 | 179.7 | 176 | -179.1 | 0 | 111.5 | Y320 Q321 E322 N326 R327 D328 | Y320-K324 WeakPolarHBondContact O-CB 3.42Å; Y320-K324 PolarHBondContact O-N 3.28Å; Q321-K324 PolarHBondContact O-N 2.93Å; E322-K324 VanDerWaalsContact C-N 3.33Å; E322-K324 PolarHBondContact O-N 3.31Å; K324-N326 VanDerWaalsContact C-N 3.28Å; K324-N326 PolarHBondContact O-N 3.12Å; K324-R327 PolarHBondContact O-N 3.19Å; K324-D328 VanDerWaalsContact O-CG 3.29Å; K324-D328 PolarHBondContact O-N 2.97Å |
| 325 | N | 93.3 | Very high | 90.2 | Very high | 86 Ų | 86 | 109.7 Ų | 109.7 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 177.8 | -66.8 | -7 | 0 | 0 | 0 | 111.8 | Q321 E322 D328 L329 | Q321-N325 PolarHBondContact NE2-OD1 3.45Å; Q321-N325 WeakPolarHBondContact O-CB 3.43Å; Q321-N325 PolarHBondContact O-N 3.07Å; Q321-N325 PolarHBondContact O-ND2 3.44Å; Q321-N325 PolarHBondContact O-OD1 2.84Å; E322-N325 PolarHBondContact O-N 3.29Å; N325-D328 PolarHBondContact O-N 3.28Å; N325-L329 WeakPolarHBondContact O-CB 3.47Å; N325-L329 PolarHBondContact O-N 2.99Å |
| 326 | N | 93 | Very high | 90.3 | Very high | 74 Ų | 74 | 109.4 Ų | 109.4 | 40% | 0.396 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 175.8 | -72.4 | -18.7 | 0 | 0 | 0 | 111.5 | E322 E323 K324 L329 D330 | E322-N326 WeakPolarHBondContact O-CB 3.44Å; E322-N326 VanDerWaalsContact O-CG 3.24Å; E322-N326 PolarHBondContact O-N 2.94Å; E322-N326 PolarHBondContact O-ND2 3.28Å; E323-N326 PolarHBondContact O-N 3.12Å; K324-N326 VanDerWaalsContact C-N 3.28Å; K324-N326 PolarHBondContact O-N 3.12Å; N326-L329 PolarHBondContact O-N 3.32Å; N326-D330 WeakPolarHBondContact O-CB 3.46Å; N326-D330 PolarHBondContact O-N 3.49Å |
| 327 | R | 88.9 | Confident | 90.4 | Very high | 168 Ų | 168 | 106.8 Ų | 106.8 | 63% | 0.634 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 175.2 | -71.1 | -179.6 | -172.6 | -150.7 | -0.1 | 112.5 | E323 K324 L329 D330 S331 | E323-R327 WeakPolarHBondContact O-CG 3.44Å; E323-R327 PolarHBondContact O-N 2.96Å; E323-R327 IonicContact OE1-CZ 2.85Å; E323-R327 IonicContact OE1-NE 3.55Å; E323-R327 PolarHBondContact OE1-NE 3.02Å; E323-R327 IonicContact OE1-NH2 3.33Å; E323-R327 PolarHBondContact OE1-NH2 2.71Å; K324-R327 PolarHBondContact O-N 3.19Å; R327-L329 VanDerWaalsContact C-N 3.33Å; R327-D330 PolarHBondContact O-N 2.86Å; R327-S331 WeakPolarHBondContact O-CB 3.34Å; R327-S331 PolarHBondContact O-N 3.43Å |
| 328 | D | 92.2 | Very high | 90.4 | Very high | 80 Ų | 80 | 103.2 Ų | 103.2 | 43% | 0.428 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.1 | -40.5 | 175.9 | -69.7 | -19.9 | 0 | 0 | 0 | 110.6 | K324 N325 S331 Q332 | K324-D328 VanDerWaalsContact O-CG 3.29Å; K324-D328 PolarHBondContact O-N 2.97Å; N325-D328 PolarHBondContact O-N 3.28Å; D328-S331 PolarHBondContact O-N 3.33Å; D328-Q332 WeakPolarHBondContact O-CG 3.46Å; D328-Q332 PolarHBondContact O-N 3.46Å |
| 329 | L | 92.6 | Very high | 90.4 | Very high | 78 Ų | 78 | 100.5 Ų | 100.5 | 41% | 0.408 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 175.3 | -177.4 | 70.2 | 0 | 0 | 0 | 112.4 | N325 N326 R327 S331 Q332 K333 | N325-L329 WeakPolarHBondContact O-CB 3.47Å; N325-L329 PolarHBondContact O-N 2.99Å; N326-L329 PolarHBondContact O-N 3.32Å; R327-L329 VanDerWaalsContact C-N 3.33Å; L329-S331 VanDerWaalsContact C-N 3.3Å; L329-S331 PolarHBondContact O-N 2.88Å; L329-Q332 WeakPolarHBondContact O-CB 3.49Å; L329-Q332 PolarHBondContact O-N 3.03Å; L329-Q332 VanDerWaalsContact O-N 3.17Å; L329-K333 WeakPolarHBondContact O-CG 3.33Å; L329-K333 PolarHBondContact O-N 3.32Å |
| 330 | D | 90.2 | Very high | 90.5 | Very high | 88 Ų | 88 | 100.9 Ų | 100.9 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 176.5 | -74 | -17.7 | 0 | 0 | 0 | 111 | N326 R327 Q332 K333 T334 | N326-D330 WeakPolarHBondContact O-CB 3.46Å; N326-D330 PolarHBondContact O-N 3.49Å; R327-D330 PolarHBondContact O-N 2.86Å; D330-Q332 VanDerWaalsContact C-N 3.33Å; D330-K333 PolarHBondContact O-N 2.9Å; D330-K333 IonicContact OD1-NZ 2.91Å; D330-T334 WeakPolarHBondContact O-CG2 3.32Å; D330-T334 PolarHBondContact O-N 3.19Å; D330-T334 PolarHBondContact O-OG1 3.13Å; D330-T334 VanDerWaalsContact O-OG1 3.13Å |
| 331 | S | 86.2 | Confident | 90.6 | Very high | 60 Ų | 60 | 96.9 Ų | 96.9 | 42% | 0.42 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.6 | -35.6 | 171.3 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | R327 D328 L329 T334 N335 | R327-S331 WeakPolarHBondContact O-CB 3.34Å; R327-S331 PolarHBondContact O-N 3.43Å; D328-S331 PolarHBondContact O-N 3.33Å; L329-S331 VanDerWaalsContact C-N 3.3Å; L329-S331 PolarHBondContact O-N 2.88Å; S331-T334 WeakPolarHBondContact CA-OG1 3.45Å; S331-T334 PolarHBondContact O-OG1 2.71Å; S331-N335 WeakPolarHBondContact O-CB 3.49Å; S331-N335 PolarHBondContact O-N 3.49Å; S331-N335 VanDerWaalsContact O-N 3.11Å; S331-N335 PolarHBondContact O-ND2 3.41Å; S331-N335 VanDerWaalsContact O-ND2 3.08Å |
| 332 | Q | 89.4 | Confident | 90.5 | Very high | 113 Ų | 113 | 95.3 Ų | 95.3 | 53% | 0.528 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 173.4 | -75.8 | 173.2 | -2 | 0 | 0 | 111.1 | D328 L329 D330 T334 N335 E336 | D328-Q332 WeakPolarHBondContact O-CG 3.46Å; D328-Q332 PolarHBondContact O-N 3.46Å; L329-Q332 WeakPolarHBondContact O-CB 3.49Å; L329-Q332 PolarHBondContact O-N 3.03Å; L329-Q332 VanDerWaalsContact O-N 3.17Å; D330-Q332 VanDerWaalsContact C-N 3.33Å; Q332-T334 PolarHBondContact O-N 3.5Å; Q332-N335 PolarHBondContact O-N 2.84Å; Q332-E336 WeakPolarHBondContact O-CG 3.48Å; Q332-E336 PolarHBondContact O-N 2.88Å |
| 333 | K | 90.5 | Very high | 90.5 | Very high | 106 Ų | 106 | 93.4 Ų | 93.4 | 46% | 0.461 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 177.2 | -71.7 | 173.2 | -175.4 | 164.4 | 0 | 112.7 | L329 D330 E336 F337 | L329-K333 WeakPolarHBondContact O-CG 3.33Å; L329-K333 PolarHBondContact O-N 3.32Å; D330-K333 PolarHBondContact O-N 2.9Å; D330-K333 IonicContact OD1-NZ 2.91Å; K333-E336 PolarHBondContact O-N 3.34Å; K333-F337 WeakPolarHBondContact O-CB 3.23Å; K333-F337 PolarHBondContact O-N 2.96Å |
| 334 | T | 86.4 | Confident | 90.6 | Very high | 75 Ų | 75 | 95.3 Ų | 95.3 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 176.5 | 53 | 0 | 0 | 0 | 0 | 111.5 | D330 S331 Q332 F337 I338 | D330-T334 WeakPolarHBondContact O-CG2 3.32Å; D330-T334 PolarHBondContact O-N 3.19Å; D330-T334 PolarHBondContact O-OG1 3.13Å; D330-T334 VanDerWaalsContact O-OG1 3.13Å; S331-T334 WeakPolarHBondContact CA-OG1 3.45Å; S331-T334 PolarHBondContact O-OG1 2.71Å; Q332-T334 PolarHBondContact O-N 3.5Å; T334-F337 PolarHBondContact O-N 3.37Å; T334-I338 WeakPolarHBondContact O-CB 3.37Å; T334-I338 WeakPolarHBondContact O-CD1 3.43Å; T334-I338 WeakPolarHBondContact O-CG1 3.45Å; T334-I338 PolarHBondContact O-N 3.33Å |
| 335 | N | 90.3 | Very high | 90.6 | Very high | 96 Ų | 96 | 96.6 Ų | 96.6 | 51% | 0.513 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 174.4 | -73.8 | -25.5 | 0 | 0 | 0 | 112.3 | S331 Q332 I338 Q339 | S331-N335 WeakPolarHBondContact O-CB 3.49Å; S331-N335 PolarHBondContact O-N 3.49Å; S331-N335 VanDerWaalsContact O-N 3.11Å; S331-N335 PolarHBondContact O-ND2 3.41Å; S331-N335 VanDerWaalsContact O-ND2 3.08Å; Q332-N335 PolarHBondContact O-N 2.84Å; N335-I338 PolarHBondContact O-N 2.93Å; N335-Q339 WeakPolarHBondContact O-CB 3.31Å; N335-Q339 PolarHBondContact O-N 3.43Å |
| 336 | E | 92.6 | Very high | 90.4 | Very high | 132 Ų | 132 | 95.4 Ų | 95.4 | 62% | 0.617 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | 172.4 | -74.2 | 174.4 | 179.9 | 0 | 0 | 111.3 | Q332 K333 I338 Q339 T340 | Q332-E336 WeakPolarHBondContact O-CG 3.48Å; Q332-E336 PolarHBondContact O-N 2.88Å; K333-E336 PolarHBondContact O-N 3.34Å; E336-I338 PolarHBondContact O-N 3.31Å; E336-Q339 WeakPolarHBondContact O-CB 3.38Å; E336-Q339 PolarHBondContact O-N 2.76Å; E336-T340 PolarHBondContact O-N 3.24Å; E336-T340 PolarHBondContact O-OG1 3.28Å; E336-T340 VanDerWaalsContact O-OG1 3.13Å |
| 337 | F | 90.8 | Very high | 90.4 | Very high | 134 Ų | 134 | 98.8 Ų | 98.8 | 59% | 0.588 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 177.3 | -174.8 | -112.3 | 0 | 0 | 0 | 112.4 | K333 T334 Q339 T340 I341 | K333-F337 WeakPolarHBondContact O-CB 3.23Å; K333-F337 PolarHBondContact O-N 2.96Å; T334-F337 PolarHBondContact O-N 3.37Å; F337-Q339 VanDerWaalsContact C-N 3.32Å; F337-Q339 PolarHBondContact O-N 2.87Å; F337-T340 VanDerWaalsContact C-OG1 3.28Å; F337-T340 VanDerWaalsContact CA-OG1 3.24Å; F337-T340 WeakPolarHBondContact CA-OG1 3.24Å; F337-T340 PolarHBondContact O-N 3.41Å; F337-T340 PolarHBondContact O-OG1 2.83Å; F337-I341 HydrophobicContact CD1-CD1 3.82Å; F337-I341 HydrophobicContact CE1-CD1 3.39Å; F337-I341 HydrophobicContact CE1-CG1 4.38Å; F337-I341 HydrophobicContact CE2-CD1 4.45Å; F337-I341 HydrophobicContact CZ-CD1 3.75Å; F337-I341 HydrophobicContact CZ-CG1 4.38Å; F337-I341 WeakPolarHBondContact O-CG1 3.48Å; F337-I341 PolarHBondContact O-N 2.98Å |
| 338 | I | 89.8 | Confident | 90.4 | Very high | 89 Ų | 89 | 96.3 Ų | 96.3 | 46% | 0.456 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 173.6 | -70.8 | 164.7 | 0 | 0 | 0 | 110.2 | T334 N335 E336 T340 I341 L342 | T334-I338 WeakPolarHBondContact O-CB 3.37Å; T334-I338 WeakPolarHBondContact O-CD1 3.43Å; T334-I338 WeakPolarHBondContact O-CG1 3.45Å; T334-I338 PolarHBondContact O-N 3.33Å; N335-I338 PolarHBondContact O-N 2.93Å; E336-I338 PolarHBondContact O-N 3.31Å; I338-T340 PolarHBondContact O-N 3.46Å; I338-I341 PolarHBondContact O-N 3.28Å; I338-L342 HydrophobicContact CG2-CD1 4.03Å; I338-L342 HydrophobicContact CG2-CG 4.38Å; I338-L342 WeakPolarHBondContact O-CG 3.45Å; I338-L342 PolarHBondContact O-N 3.01Å |
| 339 | Q | 91 | Very high | 90.3 | Very high | 98 Ų | 98 | 98.1 Ų | 98.1 | 46% | 0.458 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 177.6 | -172.2 | 58.5 | 47.3 | 0 | 0 | 111.6 | N335 E336 F337 I341 L342 D343 | N335-Q339 WeakPolarHBondContact O-CB 3.31Å; N335-Q339 PolarHBondContact O-N 3.43Å; E336-Q339 WeakPolarHBondContact O-CB 3.38Å; E336-Q339 PolarHBondContact O-N 2.76Å; F337-Q339 VanDerWaalsContact C-N 3.32Å; F337-Q339 PolarHBondContact O-N 2.87Å; Q339-I341 PolarHBondContact O-N 2.74Å; Q339-L342 PolarHBondContact O-N 3.26Å; Q339-D343 PolarHBondContact NE2-OD1 2.65Å; Q339-D343 VanDerWaalsContact NE2-OD1 3.07Å; Q339-D343 PolarHBondContact NE2-OD2 2.85Å; Q339-D343 VanDerWaalsContact O-CG 3.3Å; Q339-D343 PolarHBondContact O-N 3.11Å |
| 340 | T | 91 | Very high | 90.1 | Very high | 73 Ų | 73 | 102 Ų | 102 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.6 | -41.4 | 173.8 | 36.5 | 0 | 0 | 0 | 0 | 112.9 | E336 F337 I338 L342 D343 E344 | E336-T340 PolarHBondContact O-N 3.24Å; E336-T340 PolarHBondContact O-OG1 3.28Å; E336-T340 VanDerWaalsContact O-OG1 3.13Å; F337-T340 VanDerWaalsContact C-OG1 3.28Å; F337-T340 VanDerWaalsContact CA-OG1 3.24Å; F337-T340 WeakPolarHBondContact CA-OG1 3.24Å; F337-T340 PolarHBondContact O-N 3.41Å; F337-T340 PolarHBondContact O-OG1 2.83Å; I338-T340 PolarHBondContact O-N 3.46Å; T340-L342 VanDerWaalsContact C-N 3.34Å; T340-L342 PolarHBondContact O-N 3Å; T340-D343 PolarHBondContact O-N 3.47Å; T340-E344 WeakPolarHBondContact O-CB 3.48Å; T340-E344 WeakPolarHBondContact O-CG 3.22Å; T340-E344 PolarHBondContact O-N 3.42Å |
| 341 | I | 90 | Very high | 90.1 | Very high | 81 Ų | 81 | 102.3 Ų | 102.3 | 42% | 0.415 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176 | -69.6 | 171 | 0 | 0 | 0 | 111.1 | F337 I338 Q339 D343 E344 R345 | F337-I341 HydrophobicContact CD1-CD1 3.82Å; F337-I341 HydrophobicContact CE1-CD1 3.39Å; F337-I341 HydrophobicContact CE1-CG1 4.38Å; F337-I341 HydrophobicContact CE2-CD1 4.45Å; F337-I341 HydrophobicContact CZ-CD1 3.75Å; F337-I341 HydrophobicContact CZ-CG1 4.38Å; F337-I341 WeakPolarHBondContact O-CG1 3.48Å; F337-I341 PolarHBondContact O-N 2.98Å; I338-I341 PolarHBondContact O-N 3.28Å; Q339-I341 PolarHBondContact O-N 2.74Å; I341-D343 VanDerWaalsContact C-N 3.35Å; I341-E344 PolarHBondContact O-N 2.99Å; I341-R345 WeakPolarHBondContact O-CB 3.47Å; I341-R345 PolarHBondContact O-N 2.84Å |
| 342 | L | 91.2 | Very high | 90.2 | Very high | 60 Ų | 60 | 105.2 Ų | 105.2 | 31% | 0.314 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 177 | -71.4 | 173.4 | 0 | 0 | 0 | 111.6 | I338 Q339 T340 N346 | I338-L342 HydrophobicContact CG2-CD1 4.03Å; I338-L342 HydrophobicContact CG2-CG 4.38Å; I338-L342 WeakPolarHBondContact O-CG 3.45Å; I338-L342 PolarHBondContact O-N 3.01Å; Q339-L342 PolarHBondContact O-N 3.26Å; T340-L342 VanDerWaalsContact C-N 3.34Å; T340-L342 PolarHBondContact O-N 3Å; L342-N346 WeakPolarHBondContact O-CB 3.35Å; L342-N346 PolarHBondContact O-N 2.76Å; L342-N346 PolarHBondContact O-ND2 3.27Å; L342-N346 VanDerWaalsContact O-ND2 3.16Å; L342-N346 PolarHBondContact O-OD1 3.46Å |
| 343 | D | 92.2 | Very high | 90.3 | Very high | 84 Ų | 84 | 104.2 Ų | 104.2 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.5 | -41.4 | 176.6 | -67.8 | -24.3 | 0 | 0 | 0 | 111.8 | Q339 T340 I341 N346 Y347 | Q339-D343 PolarHBondContact NE2-OD1 2.65Å; Q339-D343 VanDerWaalsContact NE2-OD1 3.07Å; Q339-D343 PolarHBondContact NE2-OD2 2.85Å; Q339-D343 VanDerWaalsContact O-CG 3.3Å; Q339-D343 PolarHBondContact O-N 3.11Å; T340-D343 PolarHBondContact O-N 3.47Å; I341-D343 VanDerWaalsContact C-N 3.35Å; D343-N346 PolarHBondContact O-N 3.38Å; D343-Y347 WeakPolarHBondContact O-CB 3.36Å; D343-Y347 PolarHBondContact O-N 3.38Å |
| 344 | E | 91.1 | Very high | 90.2 | Very high | 127 Ų | 127 | 101.9 Ų | 101.9 | 59% | 0.593 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.4 | -45 | 172.4 | -77.8 | 179.4 | -177.7 | 0 | 0 | 111.9 | T340 I341 N346 Y347 L348 | T340-E344 WeakPolarHBondContact O-CB 3.48Å; T340-E344 WeakPolarHBondContact O-CG 3.22Å; T340-E344 PolarHBondContact O-N 3.42Å; I341-E344 PolarHBondContact O-N 2.99Å; E344-N346 VanDerWaalsContact C-N 3.32Å; E344-N346 PolarHBondContact O-N 2.92Å; E344-Y347 WeakPolarHBondContact O-CB 3.4Å; E344-Y347 PolarHBondContact O-N 3.28Å; E344-Y347 VanDerWaalsContact O-N 3.16Å; E344-L348 WeakPolarHBondContact O-CB 3.41Å; E344-L348 WeakPolarHBondContact O-CG 3.37Å; E344-L348 PolarHBondContact O-N 3.05Å |
| 345 | R | 89.3 | Confident | 90.3 | Very high | 126 Ų | 126 | 101.4 Ų | 101.4 | 48% | 0.475 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | 174.1 | -178 | -149.5 | 63.1 | -163.7 | -6.2 | 110.7 | I341 Y347 L348 E349 | I341-R345 WeakPolarHBondContact O-CB 3.47Å; I341-R345 PolarHBondContact O-N 2.84Å; R345-Y347 VanDerWaalsContact C-N 3.27Å; R345-Y347 PolarHBondContact O-N 2.98Å; R345-L348 PolarHBondContact O-N 3.26Å; R345-E349 VanDerWaalsContact O-CB 3.25Å; R345-E349 WeakPolarHBondContact O-CB 3.29Å; R345-E349 PolarHBondContact O-N 3.11Å |
| 346 | N | 90.5 | Very high | 90.2 | Very high | 61 Ų | 61 | 102.4 Ų | 102.4 | 33% | 0.326 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -35.5 | 177.3 | -70.4 | -22.7 | 0 | 0 | 0 | 112.1 | L342 D343 E344 K350 | L342-N346 WeakPolarHBondContact O-CB 3.35Å; L342-N346 PolarHBondContact O-N 2.76Å; L342-N346 PolarHBondContact O-ND2 3.27Å; L342-N346 VanDerWaalsContact O-ND2 3.16Å; L342-N346 PolarHBondContact O-OD1 3.46Å; D343-N346 PolarHBondContact O-N 3.38Å; E344-N346 VanDerWaalsContact C-N 3.32Å; E344-N346 PolarHBondContact O-N 2.92Å; N346-K350 WeakPolarHBondContact O-CG 3.31Å; N346-K350 PolarHBondContact O-N 3Å |
| 347 | Y | 93 | Very high | 90.1 | Very high | 146 Ų | 146 | 99.4 Ų | 99.4 | 57% | 0.573 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.2 | -50.2 | 174.1 | 179.3 | -91.7 | 0 | 0 | 0 | 111.5 | D343 E344 R345 E349 K350 E351 | D343-Y347 WeakPolarHBondContact O-CB 3.36Å; D343-Y347 PolarHBondContact O-N 3.38Å; E344-Y347 WeakPolarHBondContact O-CB 3.4Å; E344-Y347 PolarHBondContact O-N 3.28Å; E344-Y347 VanDerWaalsContact O-N 3.16Å; R345-Y347 VanDerWaalsContact C-N 3.27Å; R345-Y347 PolarHBondContact O-N 2.98Å; Y347-E349 VanDerWaalsContact C-N 3.29Å; Y347-E349 PolarHBondContact O-N 2.96Å; Y347-K350 WeakPolarHBondContact O-CB 3.45Å; Y347-K350 PolarHBondContact O-N 3.32Å; Y347-K350 VanDerWaalsContact O-N 3.14Å; Y347-E351 HydrophobicContact CD1-CG 4.29Å; Y347-E351 HydrophobicContact CE1-CG 3.79Å; Y347-E351 PolarHBondContact O-N 3.41Å |
| 348 | L | 88.9 | Confident | 90.1 | Very high | 115 Ų | 115 | 96.9 Ų | 96.9 | 60% | 0.602 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.2 | -34.6 | 178.4 | -69.2 | 174.1 | 0 | 0 | 0 | 112.3 | E344 R345 E351 L352 | E344-L348 WeakPolarHBondContact O-CB 3.41Å; E344-L348 WeakPolarHBondContact O-CG 3.37Å; E344-L348 PolarHBondContact O-N 3.05Å; R345-L348 PolarHBondContact O-N 3.26Å; L348-E351 PolarHBondContact O-N 3.45Å; L348-L352 VanDerWaalsContact O-CB 3.26Å; L348-L352 WeakPolarHBondContact O-CB 3.49Å; L348-L352 PolarHBondContact O-N 2.96Å |
| 349 | E | 89.3 | Confident | 89.9 | Confident | 119 Ų | 119 | 98.6 Ų | 98.6 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68 | -35.2 | 175.7 | -169 | 166.9 | -157.1 | 0 | 0 | 111.8 | R345 Y347 N353 | R345-E349 VanDerWaalsContact O-CB 3.25Å; R345-E349 WeakPolarHBondContact O-CB 3.29Å; R345-E349 PolarHBondContact O-N 3.11Å; Y347-E349 VanDerWaalsContact C-N 3.29Å; Y347-E349 PolarHBondContact O-N 2.96Å; E349-N353 WeakPolarHBondContact O-CB 3.44Å; E349-N353 PolarHBondContact O-N 3.49Å |
| 350 | K | 89.5 | Confident | 89.9 | Confident | 158 Ų | 158 | 98.9 Ų | 98.9 | 69% | 0.687 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.3 | -46.3 | 171.1 | -73.4 | 172.9 | -177.6 | 177.2 | 0 | 111.8 | N346 Y347 N353 S354 | N346-K350 WeakPolarHBondContact O-CG 3.31Å; N346-K350 PolarHBondContact O-N 3Å; Y347-K350 WeakPolarHBondContact O-CB 3.45Å; Y347-K350 PolarHBondContact O-N 3.32Å; Y347-K350 VanDerWaalsContact O-N 3.14Å; K350-N353 PolarHBondContact O-N 3.01Å; K350-S354 PolarHBondContact O-N 3.11Å |
| 351 | E | 89.3 | Confident | 89.9 | Confident | 96 Ų | 96 | 101.6 Ų | 101.6 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 176.3 | -76.9 | -71.9 | 115.5 | 0 | 0 | 111.8 | Y347 L348 N353 S354 T355 | Y347-E351 HydrophobicContact CD1-CG 4.29Å; Y347-E351 HydrophobicContact CE1-CG 3.79Å; Y347-E351 PolarHBondContact O-N 3.41Å; L348-E351 PolarHBondContact O-N 3.45Å; E351-N353 VanDerWaalsContact C-N 3.3Å; E351-N353 PolarHBondContact O-N 2.9Å; E351-S354 PolarHBondContact O-N 3.03Å; E351-T355 WeakPolarHBondContact O-CG2 3.44Å; E351-T355 PolarHBondContact O-N 3.37Å; E351-T355 PolarHBondContact O-OG1 3.17Å |
| 352 | L | 87.4 | Confident | 89.9 | Confident | 121 Ų | 121 | 103.2 Ų | 103.2 | 63% | 0.634 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.3 | -38.9 | 176.4 | -176.6 | 67.7 | 0 | 0 | 0 | 111.3 | L348 T355 K356 | L348-L352 VanDerWaalsContact O-CB 3.26Å; L348-L352 WeakPolarHBondContact O-CB 3.49Å; L348-L352 PolarHBondContact O-N 2.96Å; L352-T355 WeakPolarHBondContact CA-OG1 3.32Å; L352-T355 PolarHBondContact O-OG1 3.13Å; L352-K356 WeakPolarHBondContact O-CB 3.34Å; L352-K356 PolarHBondContact O-N 3.42Å |
| 353 | N | 91.5 | Very high | 89.8 | Confident | 91 Ų | 91 | 104.6 Ų | 104.6 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.8 | -33.7 | 177.9 | -158.4 | 45.7 | 0 | 0 | 0 | 112.1 | E349 K350 E351 N357 | E349-N353 WeakPolarHBondContact O-CB 3.44Å; E349-N353 PolarHBondContact O-N 3.49Å; K350-N353 PolarHBondContact O-N 3.01Å; E351-N353 VanDerWaalsContact C-N 3.3Å; E351-N353 PolarHBondContact O-N 2.9Å; N353-N357 VanDerWaalsContact O-CG 3.24Å; N353-N357 PolarHBondContact O-N 3.08Å; N353-N357 VanDerWaalsContact O-N 3.11Å; N353-N357 PolarHBondContact O-ND2 3.18Å; N353-N357 VanDerWaalsContact O-ND2 3.16Å |
| 354 | S | 90.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 105.1 Ų | 105.1 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -54.7 | 172.7 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | K350 E351 K356 N357 D358 | K350-S354 PolarHBondContact O-N 3.11Å; E351-S354 PolarHBondContact O-N 3.03Å; S354-K356 VanDerWaalsContact C-N 3.27Å; S354-K356 PolarHBondContact O-N 2.93Å; S354-N357 WeakPolarHBondContact O-CA 3.48Å; S354-N357 WeakPolarHBondContact O-CB 3.3Å; S354-N357 PolarHBondContact O-N 2.97Å; S354-D358 PolarHBondContact O-N 2.92Å |
| 355 | T | 87.2 | Confident | 89.7 | Confident | 65 Ų | 65 | 103.6 Ų | 103.6 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 179.2 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | E351 L352 N357 D358 M359 | E351-T355 WeakPolarHBondContact O-CG2 3.44Å; E351-T355 PolarHBondContact O-N 3.37Å; E351-T355 PolarHBondContact O-OG1 3.17Å; L352-T355 WeakPolarHBondContact CA-OG1 3.32Å; L352-T355 PolarHBondContact O-OG1 3.13Å; T355-N357 VanDerWaalsContact C-N 3.33Å; T355-N357 PolarHBondContact O-N 3.44Å; T355-D358 PolarHBondContact O-N 3.45Å; T355-M359 WeakPolarHBondContact O-CB 3.32Å; T355-M359 PolarHBondContact O-N 2.91Å |
| 356 | K | 89.7 | Confident | 89.6 | Confident | 117 Ų | 117 | 101.8 Ų | 101.8 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 173.2 | -175.9 | 178 | -176.8 | 177.6 | 0 | 112.6 | L352 S354 K360 | L352-K356 WeakPolarHBondContact O-CB 3.34Å; L352-K356 PolarHBondContact O-N 3.42Å; S354-K356 VanDerWaalsContact C-N 3.27Å; S354-K356 PolarHBondContact O-N 2.93Å; K356-K360 WeakPolarHBondContact O-CG 3.45Å; K356-K360 PolarHBondContact O-N 3.41Å |
| 357 | N | 90 | Very high | 89.5 | Confident | 70 Ų | 70 | 103.1 Ų | 103.1 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.7 | -40.4 | 175.8 | -69.5 | -27.1 | 0 | 0 | 0 | 111.3 | N353 S354 T355 M359 K360 E361 | N353-N357 VanDerWaalsContact O-CG 3.24Å; N353-N357 PolarHBondContact O-N 3.08Å; N353-N357 VanDerWaalsContact O-N 3.11Å; N353-N357 PolarHBondContact O-ND2 3.18Å; N353-N357 VanDerWaalsContact O-ND2 3.16Å; S354-N357 WeakPolarHBondContact O-CA 3.48Å; S354-N357 WeakPolarHBondContact O-CB 3.3Å; S354-N357 PolarHBondContact O-N 2.97Å; T355-N357 VanDerWaalsContact C-N 3.33Å; T355-N357 PolarHBondContact O-N 3.44Å; N357-M359 VanDerWaalsContact C-N 3.32Å; N357-M359 PolarHBondContact O-N 3.5Å; N357-K360 WeakPolarHBondContact O-CB 3.39Å; N357-K360 PolarHBondContact O-N 3.19Å; N357-E361 PolarHBondContact O-N 3.46Å |
| 358 | D | 90.2 | Very high | 89.3 | Confident | 81 Ų | 81 | 101.7 Ų | 101.7 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 174.4 | -61.7 | -29.7 | 0 | 0 | 0 | 111.3 | S354 T355 K360 E361 H362 | S354-D358 PolarHBondContact O-N 2.92Å; T355-D358 PolarHBondContact O-N 3.45Å; D358-K360 VanDerWaalsContact C-N 3.32Å; D358-K360 PolarHBondContact O-N 3.33Å; D358-E361 PolarHBondContact O-N 3.44Å; D358-H362 PolarHBondContact O-CD2 3.44Å; D358-H362 PolarHBondContact O-N 3.2Å |
| 359 | M | 86.7 | Confident | 89.3 | Confident | 124 Ų | 124 | 101 Ų | 101 | 61% | 0.611 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.1 | -38.8 | 173 | -94.7 | 170.8 | 57.1 | 0 | 0 | 113 | T355 N357 H362 I363 | T355-M359 WeakPolarHBondContact O-CB 3.32Å; T355-M359 PolarHBondContact O-N 2.91Å; N357-M359 VanDerWaalsContact C-N 3.32Å; N357-M359 PolarHBondContact O-N 3.5Å; M359-H362 PolarHBondContact O-N 2.9Å; M359-I363 VanDerWaalsContact O-CG1 3.28Å; M359-I363 WeakPolarHBondContact O-CG1 3.49Å; M359-I363 PolarHBondContact O-N 3.14Å |
| 360 | K | 90 | Very high | 89.2 | Confident | 105 Ų | 105 | 101.4 Ų | 101.4 | 46% | 0.457 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 176.2 | -73.8 | 171.9 | -177.2 | 172.6 | 0 | 111.5 | K356 N357 D358 H362 I363 L364 | K356-K360 WeakPolarHBondContact O-CG 3.45Å; K356-K360 PolarHBondContact O-N 3.41Å; N357-K360 WeakPolarHBondContact O-CB 3.39Å; N357-K360 PolarHBondContact O-N 3.19Å; D358-K360 VanDerWaalsContact C-N 3.32Å; D358-K360 PolarHBondContact O-N 3.33Å; K360-H362 VanDerWaalsContact C-N 3.34Å; K360-I363 PolarHBondContact O-N 2.98Å; K360-L364 WeakPolarHBondContact O-CG 3.42Å; K360-L364 PolarHBondContact O-N 2.89Å |
| 361 | E | 91.1 | Very high | 89 | Confident | 129 Ų | 129 | 101 Ų | 101 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 175.3 | -69.7 | -63.1 | 149.7 | 0 | 0 | 111.2 | N357 D358 I363 L364 L365 | N357-E361 PolarHBondContact O-N 3.46Å; D358-E361 PolarHBondContact O-N 3.44Å; E361-I363 PolarHBondContact O-N 3.03Å; E361-L364 PolarHBondContact O-N 2.91Å; E361-L365 WeakPolarHBondContact O-CB 3.47Å; E361-L365 PolarHBondContact O-N 3.32Å |
| 362 | H | 89.6 | Confident | 88.9 | Confident | 115 Ų | 115 | 100.5 Ų | 100.5 | 53% | 0.532 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 174.5 | -72.2 | -51.7 | 0 | 0 | 0 | 112.9 | D358 M359 K360 L365 I366 | D358-H362 PolarHBondContact O-CD2 3.44Å; D358-H362 PolarHBondContact O-N 3.2Å; M359-H362 PolarHBondContact O-N 2.9Å; K360-H362 VanDerWaalsContact C-N 3.34Å; H362-L365 PolarHBondContact O-N 2.96Å; H362-I366 VanDerWaalsContact O-CG1 3.26Å; H362-I366 WeakPolarHBondContact O-CG1 3.42Å; H362-I366 PolarHBondContact O-N 2.82Å |
| 363 | I | 88.7 | Confident | 88.5 | Confident | 89 Ų | 89 | 97.5 Ų | 97.5 | 46% | 0.456 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 175.6 | -70.3 | 165.4 | 0 | 0 | 0 | 110.4 | M359 K360 E361 L365 I366 E367 | M359-I363 VanDerWaalsContact O-CG1 3.28Å; M359-I363 WeakPolarHBondContact O-CG1 3.49Å; M359-I363 PolarHBondContact O-N 3.14Å; K360-I363 PolarHBondContact O-N 2.98Å; E361-I363 PolarHBondContact O-N 3.03Å; I363-L365 VanDerWaalsContact C-N 3.31Å; I363-L365 PolarHBondContact O-N 3.31Å; I363-I366 PolarHBondContact O-N 3.27Å; I363-E367 WeakPolarHBondContact O-CG 3.36Å; I363-E367 PolarHBondContact O-N 3.34Å |
| 364 | L | 88.5 | Confident | 88 | Confident | 96 Ų | 96 | 96.2 Ų | 96.2 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 176.5 | -71.2 | 173.6 | 0 | 0 | 0 | 112.1 | K360 E361 E367 H368 | K360-L364 WeakPolarHBondContact O-CG 3.42Å; K360-L364 PolarHBondContact O-N 2.89Å; E361-L364 PolarHBondContact O-N 2.91Å; L364-E367 PolarHBondContact O-N 3.39Å; L364-H368 WeakPolarHBondContact O-CB 3.39Å; L364-H368 PolarHBondContact O-N 2.9Å |
| 365 | L | 93.5 | Very high | 87.6 | Confident | 94 Ų | 94 | 99.3 Ų | 99.3 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 175.5 | -177.4 | 62.3 | 0 | 0 | 0 | 111.7 | E361 H362 I363 H368 L369 | E361-L365 WeakPolarHBondContact O-CB 3.47Å; E361-L365 PolarHBondContact O-N 3.32Å; H362-L365 PolarHBondContact O-N 2.96Å; I363-L365 VanDerWaalsContact C-N 3.31Å; I363-L365 PolarHBondContact O-N 3.31Å; L365-H368 PolarHBondContact O-N 2.96Å; L365-L369 HydrophobicContact CG-CD1 4.26Å; L365-L369 WeakPolarHBondContact O-CG 3.43Å; L365-L369 PolarHBondContact O-N 3.07Å |
| 366 | I | 87.3 | Confident | 87.4 | Confident | 88 Ų | 88 | 100.1 Ų | 100.1 | 45% | 0.451 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.4 | -70.3 | 165 | 0 | 0 | 0 | 110.5 | H362 I363 H368 L369 Q370 | H362-I366 VanDerWaalsContact O-CG1 3.26Å; H362-I366 WeakPolarHBondContact O-CG1 3.42Å; H362-I366 PolarHBondContact O-N 2.82Å; I363-I366 PolarHBondContact O-N 3.27Å; I366-H368 VanDerWaalsContact C-N 3.29Å; I366-H368 PolarHBondContact O-N 3.04Å; I366-L369 PolarHBondContact O-N 2.9Å; I366-Q370 HydrophobicContact CG2-CG 4.33Å; I366-Q370 WeakPolarHBondContact O-CB 3.48Å; I366-Q370 VanDerWaalsContact O-CG 3.3Å; I366-Q370 WeakPolarHBondContact O-CG 3.32Å; I366-Q370 PolarHBondContact O-N 2.87Å |
| 367 | E | 88.1 | Confident | 86.8 | Confident | 89 Ų | 89 | 97.5 Ų | 97.5 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 176 | -73.8 | -178.7 | 176.8 | 0 | 0 | 112.1 | I363 L364 K371 | I363-E367 WeakPolarHBondContact O-CG 3.36Å; I363-E367 PolarHBondContact O-N 3.34Å; L364-E367 PolarHBondContact O-N 3.39Å; E367-K371 WeakPolarHBondContact O-CG 3.36Å; E367-K371 PolarHBondContact O-N 3.31Å |
| 368 | H | 89.3 | Confident | 86.3 | Confident | 116 Ų | 116 | 97.4 Ų | 97.4 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -46.3 | 174.8 | -176.4 | 65.3 | 0 | 0 | 0 | 111.7 | L364 L365 I366 Q370 K371 Q372 | L364-H368 WeakPolarHBondContact O-CB 3.39Å; L364-H368 PolarHBondContact O-N 2.9Å; L365-H368 PolarHBondContact O-N 2.96Å; I366-H368 VanDerWaalsContact C-N 3.29Å; I366-H368 PolarHBondContact O-N 3.04Å; H368-Q370 VanDerWaalsContact C-N 3.34Å; H368-Q370 PolarHBondContact O-N 3.41Å; H368-K371 PolarHBondContact O-N 2.89Å; H368-Q372 PolarHBondContact O-N 2.93Å |
| 369 | L | 87.7 | Confident | 85.7 | Confident | 102 Ų | 102 | 96 Ų | 96 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -37.8 | 177.3 | -71.2 | 172.8 | 0 | 0 | 0 | 112.3 | L365 I366 Q372 A373 | L365-L369 HydrophobicContact CG-CD1 4.26Å; L365-L369 WeakPolarHBondContact O-CG 3.43Å; L365-L369 PolarHBondContact O-N 3.07Å; I366-L369 PolarHBondContact O-N 2.9Å; L369-Q372 PolarHBondContact O-N 3.32Å; L369-A373 WeakPolarHBondContact O-CB 3.5Å; L369-A373 PolarHBondContact O-N 3.48Å |
| 370 | Q | 86.9 | Confident | 85.1 | Confident | 127 Ų | 127 | 92.1 Ų | 92.1 | 59% | 0.593 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.3 | -42 | 175 | -75.2 | 175.8 | -9.1 | 0 | 0 | 111.9 | I366 H368 A373 A374 | I366-Q370 HydrophobicContact CG2-CG 4.33Å; I366-Q370 WeakPolarHBondContact O-CB 3.48Å; I366-Q370 VanDerWaalsContact O-CG 3.3Å; I366-Q370 WeakPolarHBondContact O-CG 3.32Å; I366-Q370 PolarHBondContact O-N 2.87Å; H368-Q370 VanDerWaalsContact C-N 3.34Å; H368-Q370 PolarHBondContact O-N 3.41Å; Q370-A373 PolarHBondContact O-N 2.72Å; Q370-A374 WeakPolarHBondContact O-CB 3.38Å; Q370-A374 PolarHBondContact O-N 2.92Å |
| 371 | K | 85.6 | Confident | 84.2 | Confident | 149 Ų | 149 | 90.7 Ų | 90.7 | 65% | 0.648 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63 | -42.1 | 174.1 | -75.7 | 172.6 | -176.5 | 166.9 | 0 | 111.8 | E367 H368 A374 F375 | E367-K371 WeakPolarHBondContact O-CG 3.36Å; E367-K371 PolarHBondContact O-N 3.31Å; H368-K371 PolarHBondContact O-N 2.89Å; K371-A374 PolarHBondContact O-N 3.46Å; K371-F375 PolarHBondContact O-N 2.83Å |
| 372 | Q | 87.8 | Confident | 83.3 | Confident | 85 Ų | 85 | 88.8 Ų | 88.8 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 176.1 | -175 | 61.2 | 34.3 | 0 | 0 | 111.3 | H368 L369 A374 F375 D376 | H368-Q372 PolarHBondContact O-N 2.93Å; L369-Q372 PolarHBondContact O-N 3.32Å; Q372-A374 VanDerWaalsContact C-N 3.33Å; Q372-A374 PolarHBondContact O-N 2.96Å; Q372-F375 WeakPolarHBondContact O-CB 3.46Å; Q372-F375 PolarHBondContact O-N 2.91Å; Q372-F375 VanDerWaalsContact O-N 3.15Å; Q372-D376 PolarHBondContact NE2-OD1 3.36Å; Q372-D376 PolarHBondContact NE2-OD2 3.49Å; Q372-D376 PolarHBondContact O-N 2.97Å |
| 373 | A | 79.5 | Confident | 82.3 | Confident | 59 Ų | 59 | 91.6 Ų | 91.6 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L369 Q370 D376 A377 | L369-A373 WeakPolarHBondContact O-CB 3.5Å; L369-A373 PolarHBondContact O-N 3.48Å; Q370-A373 PolarHBondContact O-N 2.72Å; A373-D376 PolarHBondContact O-N 2.9Å; A373-A377 WeakPolarHBondContact O-CB 3.19Å; A373-A377 PolarHBondContact O-N 3.04Å |
| 374 | A | 80.2 | Confident | 81.1 | Confident | 64 Ų | 64 | 92.8 Ų | 92.8 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q370 K371 Q372 S378 | Q370-A374 WeakPolarHBondContact O-CB 3.38Å; Q370-A374 PolarHBondContact O-N 2.92Å; K371-A374 PolarHBondContact O-N 3.46Å; Q372-A374 VanDerWaalsContact C-N 3.33Å; Q372-A374 PolarHBondContact O-N 2.96Å; A374-S378 WeakPolarHBondContact O-CB 3.3Å; A374-S378 PolarHBondContact O-N 3.43Å |
| 375 | F | 81.3 | Confident | 79.8 | Confident | 122 Ų | 122 | 94.5 Ų | 94.5 | 54% | 0.535 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 175 | -175.5 | -101.3 | 0 | 0 | 0 | 111.7 | K371 Q372 S378 N379 | K371-F375 PolarHBondContact O-N 2.83Å; Q372-F375 WeakPolarHBondContact O-CB 3.46Å; Q372-F375 PolarHBondContact O-N 2.91Å; Q372-F375 VanDerWaalsContact O-N 3.15Å; F375-S378 WeakPolarHBondContact O-CB 3.32Å; F375-S378 PolarHBondContact O-N 3.29Å; F375-N379 WeakPolarHBondContact CD1-ND2 3.33Å; F375-N379 WeakPolarHBondContact CE1-ND2 3.3Å; F375-N379 PolarHBondContact O-N 3.45Å; F375-N379 PolarHBondContact O-ND2 3.29Å |
| 376 | D | 84.5 | Confident | 78.2 | Confident | 82 Ų | 82 | 93.3 Ų | 93.3 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 178.9 | -67.9 | -28.4 | 0 | 0 | 0 | 112.2 | Q372 A373 N379 A380 | Q372-D376 PolarHBondContact NE2-OD1 3.36Å; Q372-D376 PolarHBondContact NE2-OD2 3.49Å; Q372-D376 PolarHBondContact O-N 2.97Å; A373-D376 PolarHBondContact O-N 2.9Å; D376-N379 PolarHBondContact O-N 2.87Å; D376-A380 PolarHBondContact O-N 3.33Å |
| 377 | A | 76.3 | Confident | 76.6 | Confident | 62 Ų | 62 | 92.3 Ų | 92.3 | 51% | 0.512 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A373 A380 S381 | A373-A377 WeakPolarHBondContact O-CB 3.19Å; A373-A377 PolarHBondContact O-N 3.04Å; A377-A380 PolarHBondContact O-N 3.44Å; A377-S381 WeakPolarHBondContact O-CB 3.46Å; A377-S381 PolarHBondContact O-N 3.17Å |
| 378 | S | 79.5 | Confident | 75 | Confident | 67 Ų | 67 | 95 Ų | 95 | 47% | 0.469 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 174.6 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | A374 F375 A380 S381 T382 | A374-S378 WeakPolarHBondContact O-CB 3.3Å; A374-S378 PolarHBondContact O-N 3.43Å; F375-S378 WeakPolarHBondContact O-CB 3.32Å; F375-S378 PolarHBondContact O-N 3.29Å; S378-A380 PolarHBondContact O-N 2.91Å; S378-S381 PolarHBondContact O-N 2.92Å; S378-T382 PolarHBondContact O-N 2.86Å; S378-T382 PolarHBondContact O-OG1 3.44Å |
| 379 | N | 77.9 | Confident | 73 | Confident | 52 Ų | 52 | 94.1 Ų | 94.1 | 28% | 0.278 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 176.1 | -76.2 | -27.5 | 0 | 0 | 0 | 112.3 | F375 D376 T382 R383 | F375-N379 WeakPolarHBondContact CD1-ND2 3.33Å; F375-N379 WeakPolarHBondContact CE1-ND2 3.3Å; F375-N379 PolarHBondContact O-N 3.45Å; F375-N379 PolarHBondContact O-ND2 3.29Å; D376-N379 PolarHBondContact O-N 2.87Å; N379-T382 PolarHBondContact O-N 3.08Å; N379-R383 WeakPolarHBondContact O-CG 3.5Å; N379-R383 PolarHBondContact O-N 2.96Å; N379-R383 VanDerWaalsContact O-N 3.11Å |
| 380 | A | 74.8 | Confident | 71.2 | Confident | 43 Ų | 43 | 93.4 Ų | 93.4 | 36% | 0.355 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | D376 A377 S378 T382 R383 L384 | D376-A380 PolarHBondContact O-N 3.33Å; A377-A380 PolarHBondContact O-N 3.44Å; S378-A380 PolarHBondContact O-N 2.91Å; A380-T382 VanDerWaalsContact C-N 3.29Å; A380-T382 PolarHBondContact O-N 3.46Å; A380-R383 PolarHBondContact O-N 2.93Å; A380-L384 PolarHBondContact O-N 3.26Å |
| 381 | S | 70.9 | Confident | 69 | Low | 74 Ų | 74 | 91 Ų | 91 | 52% | 0.517 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.9 | -37.9 | 177.9 | -146.5 | 0 | 0 | 0 | 0 | 111.9 | A377 S378 L384 L385 | A377-S381 WeakPolarHBondContact O-CB 3.46Å; A377-S381 PolarHBondContact O-N 3.17Å; S378-S381 PolarHBondContact O-N 2.92Å; S381-L384 PolarHBondContact O-N 2.96Å; S381-L385 PolarHBondContact O-N 3.31Å |
| 382 | T | 71.2 | Confident | 67.1 | Low | 89 Ų | 89 | 93.2 Ų | 93.2 | 55% | 0.546 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68 | -38 | 177.4 | -42.2 | 0 | 0 | 0 | 0 | 112 | S378 N379 A380 L385 A386 | S378-T382 PolarHBondContact O-N 2.86Å; S378-T382 PolarHBondContact O-OG1 3.44Å; N379-T382 PolarHBondContact O-N 3.08Å; A380-T382 VanDerWaalsContact C-N 3.29Å; A380-T382 PolarHBondContact O-N 3.46Å; T382-L385 PolarHBondContact O-N 3.08Å; T382-A386 PolarHBondContact O-N 3.44Å |
| 383 | R | 69.4 | Low | 65.5 | Low | 175 Ų | 175 | 94.9 Ų | 94.9 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.1 | -40.5 | 174.6 | -68.2 | -176.9 | -158 | 124.3 | 2.8 | 112.2 | N379 A380 L385 A386 A387 | N379-R383 WeakPolarHBondContact O-CG 3.5Å; N379-R383 PolarHBondContact O-N 2.96Å; N379-R383 VanDerWaalsContact O-N 3.11Å; A380-R383 PolarHBondContact O-N 2.93Å; R383-L385 VanDerWaalsContact C-N 3.33Å; R383-A386 PolarHBondContact O-N 3.32Å; R383-A387 PolarHBondContact O-N 2.86Å; R383-A387 VanDerWaalsContact O-N 3.14Å |
| 384 | L | 62.7 | Low | 64 | Low | 114 Ų | 114 | 94.1 Ų | 94.1 | 60% | 0.597 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.7 | -40.2 | 174.6 | -88.1 | 161.8 | 0 | 0 | 0 | 111.7 | A380 S381 A386 A387 L388 | A380-L384 PolarHBondContact O-N 3.26Å; S381-L384 PolarHBondContact O-N 2.96Å; L384-A386 VanDerWaalsContact C-N 3.31Å; L384-A386 PolarHBondContact O-N 2.97Å; L384-A387 PolarHBondContact O-N 3.35Å; L384-L388 WeakPolarHBondContact O-CG 3.28Å; L384-L388 PolarHBondContact O-N 3.45Å; L384-L388 VanDerWaalsContact O-N 3.15Å |
| 385 | L | 61.9 | Low | 62.9 | Low | 131 Ų | 131 | 96.7 Ų | 96.7 | 69% | 0.686 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.6 | -37.6 | 177 | -132.5 | 96 | 0 | 0 | 0 | 112.5 | S381 T382 R383 | S381-L385 PolarHBondContact O-N 3.31Å; T382-L385 PolarHBondContact O-N 3.08Å; R383-L385 VanDerWaalsContact C-N 3.33Å |
| 386 | A | 58.8 | Low | 61.8 | Low | 69 Ų | 69 | 93.6 Ų | 93.6 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.3 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T382 R383 L384 L388 S389 | T382-A386 PolarHBondContact O-N 3.44Å; R383-A386 PolarHBondContact O-N 3.32Å; L384-A386 VanDerWaalsContact C-N 3.31Å; L384-A386 PolarHBondContact O-N 2.97Å; A386-L388 VanDerWaalsContact C-N 3.34Å; A386-L388 PolarHBondContact O-N 3.5Å; A386-S389 WeakPolarHBondContact O-CB 3.41Å; A386-S389 PolarHBondContact O-N 3.48Å |
| 387 | A | 54.8 | Low | 60.7 | Low | 67 Ų | 67 | 92.2 Ų | 92.2 | 55% | 0.554 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.8 | -30.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | R383 L384 S389 | R383-A387 PolarHBondContact O-N 2.86Å; R383-A387 VanDerWaalsContact O-N 3.14Å; L384-A387 PolarHBondContact O-N 3.35Å; A387-S389 PolarHBondContact O-N 2.96Å |
| 388 | L | 53.1 | Low | 60.1 | Low | 146 Ų | 146 | 92 Ų | 92 | 76% | 0.764 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -2.7 | 178.9 | -67.9 | 171.6 | 0 | 0 | 0 | 114.1 | L384 A386 | L384-L388 WeakPolarHBondContact O-CG 3.28Å; L384-L388 PolarHBondContact O-N 3.45Å; L384-L388 VanDerWaalsContact O-N 3.15Å; A386-L388 VanDerWaalsContact C-N 3.34Å; A386-L388 PolarHBondContact O-N 3.5Å |
| 389 | S | 48.9 | Very low | 59.6 | Low | 97 Ų | 97 | 95 Ų | 95 | 68% | 0.678 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -6.4 | -176.1 | -179 | 0 | 0 | 0 | 0 | 115.5 | A386 A387 | A386-S389 WeakPolarHBondContact O-CB 3.41Å; A386-S389 PolarHBondContact O-N 3.48Å; A387-S389 PolarHBondContact O-N 2.96Å |
| 390 | T | 49.5 | Very low | 59.1 | Low | 88 Ų | 88 | 98.7 Ų | 98.7 | 54% | 0.54 | 59% | 0.592 | S | S | . | * | trans | -125.8 | 91.2 | -175.4 | 46.2 | 0 | 0 | 0 | 0 | 111.9 | E392 | T390-E392 PolarHBondContact O-N 2.85Š| ||
| 391 | G | 40.6 | Very low | 58.9 | Low | 77 Ų | 77 | 101.7 Ų | 101.7 | 79% | 0.794 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 19.4 | -160.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 392 | E | 46 | Very low | 59.2 | Low | 194 Ų | 194 | 104.1 Ų | 104.1 | 91% | 0.907 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | -3.7 | 168.9 | -82.5 | -177.5 | 164.4 | 0 | 0 | 114.2 | T390 G394 | T390-E392 PolarHBondContact O-N 2.85Å; E392-G394 PolarHBondContact O-N 3.23Å |
| 393 | E | 53.6 | Low | 59.5 | Low | 121 Ų | 121 | 105 Ų | 105 | 57% | 0.565 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 0.9 | 163.7 | -72.4 | 179.4 | 167 | 0 | 0 | 112.5 | V395 A396 T397 | E393-V395 PolarHBondContact O-N 3.39Å; E393-V395 VanDerWaalsContact O-N 3.09Å; E393-A396 PolarHBondContact O-N 2.94Å; E393-T397 HydrophobicContact CB-CG2 4.21Å; E393-T397 WeakPolarHBondContact O-CB 3.37Å; E393-T397 WeakPolarHBondContact O-CG2 3.48Å; E393-T397 PolarHBondContact O-N 3.43Å; E393-T397 PolarHBondContact O-OG1 3.35Å |
| 394 | G | 47.2 | Very low | 59.9 | Low | 43 Ų | 43 | 99.1 Ų | 99.1 | 44% | 0.443 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -55.7 | -29 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E392 T397 A398 | E392-G394 PolarHBondContact O-N 3.23Å; G394-T397 VanDerWaalsContact C-OG1 3.3Å; G394-T397 WeakPolarHBondContact CA-OG1 3.45Å; G394-T397 PolarHBondContact O-OG1 3.2Å; G394-T397 VanDerWaalsContact O-OG1 3.13Å; G394-A398 WeakPolarHBondContact O-CB 3.37Å; G394-A398 PolarHBondContact O-N 2.96Å |
| 395 | V | 58.2 | Low | 60.7 | Low | 118 Ų | 118 | 98 Ų | 98 | 72% | 0.715 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -86.6 | -33 | 177.8 | -177 | 0 | 0 | 0 | 0 | 111.9 | E393 | E393-V395 PolarHBondContact O-N 3.39Å; E393-V395 VanDerWaalsContact O-N 3.09Å |
| 396 | A | 57.4 | Low | 61.5 | Low | 56 Ų | 56 | 97.5 Ų | 97.5 | 46% | 0.463 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.7 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E393 A398 L399 E400 | E393-A396 PolarHBondContact O-N 2.94Å; A396-A398 VanDerWaalsContact C-N 3.28Å; A396-A398 PolarHBondContact O-N 3.24Å; A396-L399 PolarHBondContact O-N 3.37Å; A396-E400 PolarHBondContact O-N 3.26Å |
| 397 | T | 62.3 | Low | 62.5 | Low | 53 Ų | 53 | 99.7 Ų | 99.7 | 33% | 0.325 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.8 | -32.5 | 173.8 | 52.4 | 0 | 0 | 0 | 0 | 112 | E393 G394 L399 E400 L401 | E393-T397 HydrophobicContact CB-CG2 4.21Å; E393-T397 WeakPolarHBondContact O-CB 3.37Å; E393-T397 WeakPolarHBondContact O-CG2 3.48Å; E393-T397 PolarHBondContact O-N 3.43Å; E393-T397 PolarHBondContact O-OG1 3.35Å; G394-T397 VanDerWaalsContact C-OG1 3.3Å; G394-T397 WeakPolarHBondContact CA-OG1 3.45Å; G394-T397 PolarHBondContact O-OG1 3.2Å; G394-T397 VanDerWaalsContact O-OG1 3.13Å; T397-L399 VanDerWaalsContact C-N 3.32Å; T397-L399 PolarHBondContact O-N 2.89Å; T397-E400 PolarHBondContact O-N 3.01Å; T397-L401 WeakPolarHBondContact O-CA 3.38Å; T397-L401 WeakPolarHBondContact O-CB 3.34Å; T397-L401 WeakPolarHBondContact O-CD1 3.32Å; T397-L401 WeakPolarHBondContact O-CG 3.47Å; T397-L401 PolarHBondContact O-N 3.46Å |
| 398 | A | 63.2 | Low | 63.7 | Low | 57 Ų | 57 | 102.1 Ų | 102.1 | 47% | 0.471 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.6 | -35.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G394 A396 K402 | G394-A398 WeakPolarHBondContact O-CB 3.37Å; G394-A398 PolarHBondContact O-N 2.96Å; A396-A398 VanDerWaalsContact C-N 3.28Å; A396-A398 PolarHBondContact O-N 3.24Å; A398-K402 PolarHBondContact O-N 3.21Å |
| 399 | L | 68.1 | Low | 64.7 | Low | 130 Ų | 130 | 99.4 Ų | 99.4 | 68% | 0.681 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -76.2 | -41.4 | 175.3 | -82 | 168.7 | 0 | 0 | 0 | 112.1 | A396 T397 L401 K402 Q403 | A396-L399 PolarHBondContact O-N 3.37Å; T397-L399 VanDerWaalsContact C-N 3.32Å; T397-L399 PolarHBondContact O-N 2.89Å; L399-L401 VanDerWaalsContact C-N 3.33Å; L399-L401 PolarHBondContact O-N 3.42Å; L399-K402 PolarHBondContact O-N 2.87Å; L399-Q403 PolarHBondContact O-N 3.28Å; L399-Q403 VanDerWaalsContact O-N 3.12Å |
| 400 | E | 68 | Low | 66.3 | Low | 130 Ų | 130 | 99.5 Ų | 99.5 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.1 | -37 | 173 | -72.8 | -177.7 | 164.6 | 0 | 0 | 112.1 | A396 T397 K402 Q403 C404 | A396-E400 PolarHBondContact O-N 3.26Å; T397-E400 PolarHBondContact O-N 3.01Å; E400-K402 VanDerWaalsContact C-N 3.32Å; E400-K402 PolarHBondContact O-N 3.37Å; E400-Q403 PolarHBondContact O-N 3.42Å; E400-C404 WeakPolarHBondContact O-CB 3.37Å; E400-C404 PolarHBondContact O-N 2.92Å |
| 401 | L | 71.6 | Confident | 67.8 | Low | 106 Ų | 106 | 98.3 Ų | 98.3 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.1 | -41.6 | 174.5 | -81.8 | 165.9 | 0 | 0 | 0 | 110.9 | T397 L399 C404 I405 | T397-L401 WeakPolarHBondContact O-CA 3.38Å; T397-L401 WeakPolarHBondContact O-CB 3.34Å; T397-L401 WeakPolarHBondContact O-CD1 3.32Å; T397-L401 WeakPolarHBondContact O-CG 3.47Å; T397-L401 PolarHBondContact O-N 3.46Å; L399-L401 VanDerWaalsContact C-N 3.33Å; L399-L401 PolarHBondContact O-N 3.42Å; L401-C404 PolarHBondContact O-N 3.4Å; L401-I405 WeakPolarHBondContact O-CB 3.34Å; L401-I405 WeakPolarHBondContact O-CD1 3.4Å; L401-I405 WeakPolarHBondContact O-CG1 3.47Å; L401-I405 PolarHBondContact O-N 2.91Å |
| 402 | K | 77 | Confident | 69.7 | Low | 126 Ų | 126 | 100.5 Ų | 100.5 | 55% | 0.548 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.9 | -171.7 | -175.5 | 175.3 | -171.8 | 0 | 111.5 | A398 L399 E400 I405 E406 | A398-K402 PolarHBondContact O-N 3.21Å; L399-K402 PolarHBondContact O-N 2.87Å; E400-K402 VanDerWaalsContact C-N 3.32Å; E400-K402 PolarHBondContact O-N 3.37Å; K402-I405 PolarHBondContact O-N 3.43Å; K402-E406 PolarHBondContact O-N 2.97Å; K402-E406 VanDerWaalsContact O-N 3.13Å |
| 403 | Q | 77.2 | Confident | 71.4 | Confident | 107 Ų | 107 | 96 Ų | 96 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 178.5 | -171.3 | 172.9 | -3.7 | 0 | 0 | 112.1 | L399 E400 I405 E406 Q407 | L399-Q403 PolarHBondContact O-N 3.28Å; L399-Q403 VanDerWaalsContact O-N 3.12Å; E400-Q403 PolarHBondContact O-N 3.42Å; Q403-I405 VanDerWaalsContact C-N 3.34Å; Q403-E406 PolarHBondContact O-N 2.96Å; Q403-Q407 HydrophobicContact CG-CG 4.33Å; Q403-Q407 WeakPolarHBondContact O-CB 3.42Å; Q403-Q407 WeakPolarHBondContact O-CG 3.48Å; Q403-Q407 PolarHBondContact O-N 2.74Å |
| 404 | C | 77.7 | Confident | 72.9 | Confident | 51 Ų | 51 | 96.5 Ų | 96.5 | 35% | 0.345 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 174.7 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | E400 L401 E406 H408 L409 | E400-C404 WeakPolarHBondContact O-CB 3.37Å; E400-C404 PolarHBondContact O-N 2.92Å; L401-C404 PolarHBondContact O-N 3.4Å; C404-E406 PolarHBondContact O-N 3.37Å; C404-H408 WeakPolarHBondContact O-CA 3.44Å; C404-H408 WeakPolarHBondContact O-CB 3.46Å; C404-H408 PolarHBondContact O-N 3.48Å; C404-L409 PolarHBondContact O-N 3.03Å |
| 405 | I | 80.2 | Confident | 74.6 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 47% | 0.472 | 52% | 0.517 | S | S | . | . | I | π-helix | trans | -61 | -44.9 | 173.9 | -70.4 | 161.8 | 0 | 0 | 0 | 111 | L401 K402 Q403 L409 Q410 | L401-I405 WeakPolarHBondContact O-CB 3.34Å; L401-I405 WeakPolarHBondContact O-CD1 3.4Å; L401-I405 WeakPolarHBondContact O-CG1 3.47Å; L401-I405 PolarHBondContact O-N 2.91Å; K402-I405 PolarHBondContact O-N 3.43Å; Q403-I405 VanDerWaalsContact C-N 3.34Å; I405-L409 HydrophobicContact CB-CD1 4.48Å; I405-L409 HydrophobicContact CG1-CD1 4.01Å; I405-L409 PolarHBondContact O-N 3.37Å; I405-Q410 PolarHBondContact O-N 3.05Å |
| 406 | E | 78.9 | Confident | 75.7 | Confident | 120 Ų | 120 | 97.4 Ų | 97.4 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | I | π-helix | trans | -73.6 | -37.2 | -178.5 | -76.1 | 175.8 | -174.2 | 0 | 0 | 113.5 | K402 Q403 C404 Q410 | K402-E406 PolarHBondContact O-N 2.97Å; K402-E406 VanDerWaalsContact O-N 3.13Å; Q403-E406 PolarHBondContact O-N 2.96Å; C404-E406 PolarHBondContact O-N 3.37Å; E406-Q410 WeakPolarHBondContact O-CB 3.5Å |
| 407 | Q | 79.6 | Confident | 77.2 | Confident | 115 Ų | 115 | 98.8 Ų | 98.8 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | I | π-helix | trans | -92.7 | -28.6 | -174.4 | -67.6 | -170.3 | -10.8 | 0 | 0 | 114.5 | Q403 P411 | Q403-Q407 HydrophobicContact CG-CG 4.33Å; Q403-Q407 WeakPolarHBondContact O-CB 3.42Å; Q403-Q407 WeakPolarHBondContact O-CG 3.48Å; Q403-Q407 PolarHBondContact O-N 2.74Å; Q407-P411 WeakPolarHBondContact O-CG 3.47Å |
| 408 | H | 78.4 | Confident | 78.3 | Confident | 118 Ų | 118 | 102.7 Ų | 102.7 | 55% | 0.546 | 52% | 0.522 | S | S | . | . | I | π-helix | trans | -114 | -52.8 | -175.7 | -63.5 | -63.5 | 0 | 0 | 0 | 112 | C404 P411 E412 | C404-H408 WeakPolarHBondContact O-CA 3.44Å; C404-H408 WeakPolarHBondContact O-CB 3.46Å; C404-H408 PolarHBondContact O-N 3.48Å; H408-P411 WeakPolarHBondContact O-CD 3.46Å; H408-P411 WeakPolarHBondContact O-CG 3.45Å; H408-E412 WeakPolarHBondContact O-CB 3.38Å; H408-E412 PolarHBondContact O-N 3.45Å |
| 409 | L | 75.7 | Confident | 79.4 | Confident | 89 Ų | 89 | 106.7 Ų | 106.7 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | I | π-helix | trans | -72.9 | -37 | -176.4 | -75.4 | 111.3 | 0 | 0 | 0 | 113.6 | C404 I405 E412 L413 | C404-L409 PolarHBondContact O-N 3.03Å; I405-L409 HydrophobicContact CB-CD1 4.48Å; I405-L409 HydrophobicContact CG1-CD1 4.01Å; I405-L409 PolarHBondContact O-N 3.37Å; L409-E412 PolarHBondContact O-N 2.98Å; L409-L413 VanDerWaalsContact O-CB 3.23Å; L409-L413 WeakPolarHBondContact O-CB 3.45Å; L409-L413 PolarHBondContact O-N 3.37Å |
| 410 | Q | 81.2 | Confident | 80.1 | Confident | 98 Ų | 98 | 103.6 Ų | 103.6 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 175.9 | -104.7 | -83.4 | -21.3 | 0 | 0 | 113 | I405 E406 L413 K414 | I405-Q410 PolarHBondContact O-N 3.05Å; E406-Q410 WeakPolarHBondContact O-CB 3.5Å; Q410-L413 PolarHBondContact O-N 3.08Å; Q410-K414 PolarHBondContact O-N 2.86Å |
| 411 | P | 82.2 | Confident | 81 | Confident | 64 Ų | 64 | 103.5 Ų | 103.5 | 42% | 0.416 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.3 | -34.6 | 174.5 | 19.5 | -25.5 | 0 | 0 | 0 | 113.2 | Q407 H408 L413 K414 C415 | Q407-P411 WeakPolarHBondContact O-CG 3.47Å; H408-P411 WeakPolarHBondContact O-CD 3.46Å; H408-P411 WeakPolarHBondContact O-CG 3.45Å; P411-L413 VanDerWaalsContact C-N 3.33Å; P411-L413 PolarHBondContact O-N 3.35Å; P411-K414 PolarHBondContact O-N 2.96Å; P411-C415 WeakPolarHBondContact O-CB 3.48Å; P411-C415 PolarHBondContact O-N 3.48Å |
| 412 | E | 80.3 | Confident | 81.7 | Confident | 122 Ų | 122 | 104 Ų | 104 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.6 | -43.1 | 170.8 | -87 | -172.7 | 158 | 0 | 0 | 111.7 | H408 L409 K414 C415 L416 | H408-E412 WeakPolarHBondContact O-CB 3.38Å; H408-E412 PolarHBondContact O-N 3.45Å; L409-E412 PolarHBondContact O-N 2.98Å; E412-K414 PolarHBondContact O-N 3.38Å; E412-C415 WeakPolarHBondContact O-CB 3.44Å; E412-C415 PolarHBondContact O-N 3.24Å; E412-L416 WeakPolarHBondContact O-CB 3.4Å; E412-L416 PolarHBondContact O-N 3.12Å |
| 413 | L | 81.6 | Confident | 82.1 | Confident | 100 Ų | 100 | 102.7 Ų | 102.7 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.8 | -175.4 | 66.8 | 0 | 0 | 0 | 111.1 | L409 Q410 P411 L416 I417 | L409-L413 VanDerWaalsContact O-CB 3.23Å; L409-L413 WeakPolarHBondContact O-CB 3.45Å; L409-L413 PolarHBondContact O-N 3.37Å; Q410-L413 PolarHBondContact O-N 3.08Å; P411-L413 VanDerWaalsContact C-N 3.33Å; P411-L413 PolarHBondContact O-N 3.35Å; L413-L416 PolarHBondContact O-N 3.05Å; L413-I417 HydrophobicContact CG-CD1 4.21Å; L413-I417 WeakPolarHBondContact O-CD1 3.38Å; L413-I417 VanDerWaalsContact O-CG1 3.23Å; L413-I417 WeakPolarHBondContact O-CG1 3.47Å; L413-I417 PolarHBondContact O-N 2.84Å |
| 414 | K | 85.4 | Confident | 82.6 | Confident | 131 Ų | 131 | 103.7 Ų | 103.7 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62 | -45.3 | 172.6 | -81.8 | -175.2 | 178.6 | 177.8 | 0 | 112.1 | Q410 P411 E412 L416 I417 E418 | Q410-K414 PolarHBondContact O-N 2.86Å; P411-K414 PolarHBondContact O-N 2.96Å; E412-K414 PolarHBondContact O-N 3.38Å; K414-L416 VanDerWaalsContact C-N 3.31Å; K414-L416 PolarHBondContact O-N 3.19Å; K414-I417 PolarHBondContact O-N 2.87Å; K414-E418 PolarHBondContact O-N 3.44Å |
| 415 | C | 82.7 | Confident | 83 | Confident | 77 Ų | 77 | 104.8 Ų | 104.8 | 52% | 0.52 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 177 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | P411 E412 E418 K419 | P411-C415 WeakPolarHBondContact O-CB 3.48Å; P411-C415 PolarHBondContact O-N 3.48Å; E412-C415 WeakPolarHBondContact O-CB 3.44Å; E412-C415 PolarHBondContact O-N 3.24Å; C415-E418 PolarHBondContact O-N 2.85Å; C415-K419 WeakPolarHBondContact O-CB 3.46Å; C415-K419 PolarHBondContact O-N 3.45Å |
| 416 | L | 81.2 | Confident | 83.3 | Confident | 104 Ų | 104 | 105 Ų | 105 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 174.1 | -103.6 | 132.9 | 0 | 0 | 0 | 111.7 | E412 L413 K414 E418 K419 C420 | E412-L416 WeakPolarHBondContact O-CB 3.4Å; E412-L416 PolarHBondContact O-N 3.12Å; L413-L416 PolarHBondContact O-N 3.05Å; K414-L416 VanDerWaalsContact C-N 3.31Å; K414-L416 PolarHBondContact O-N 3.19Å; L416-E418 VanDerWaalsContact C-N 3.34Å; L416-E418 PolarHBondContact O-N 2.94Å; L416-K419 PolarHBondContact O-N 3.18Å; L416-C420 WeakPolarHBondContact O-CB 3.38Å; L416-C420 PolarHBondContact O-N 3.24Å; L416-C420 PolarHBondContact O-SG 2.9Å |
| 417 | I | 87.8 | Confident | 83.7 | Confident | 85 Ų | 85 | 104.5 Ų | 104.5 | 44% | 0.436 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 175 | -70.7 | 163.8 | 0 | 0 | 0 | 110.7 | L413 K414 C420 K421 | L413-I417 HydrophobicContact CG-CD1 4.21Å; L413-I417 WeakPolarHBondContact O-CD1 3.38Å; L413-I417 VanDerWaalsContact O-CG1 3.23Å; L413-I417 WeakPolarHBondContact O-CG1 3.47Å; L413-I417 PolarHBondContact O-N 2.84Å; K414-I417 PolarHBondContact O-N 2.87Å; I417-C420 PolarHBondContact O-N 3.49Å; I417-K421 WeakPolarHBondContact O-CG 3.41Å; I417-K421 PolarHBondContact O-N 3.4Å |
| 418 | E | 86 | Confident | 84.1 | Confident | 135 Ų | 135 | 106.2 Ų | 106.2 | 63% | 0.631 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 174.7 | -75.8 | 179.5 | 172.4 | 0 | 0 | 111.9 | K414 C415 L416 C420 K421 H422 | K414-E418 PolarHBondContact O-N 3.44Å; C415-E418 PolarHBondContact O-N 2.85Å; L416-E418 VanDerWaalsContact C-N 3.34Å; L416-E418 PolarHBondContact O-N 2.94Å; E418-C420 PolarHBondContact O-N 3.24Å; E418-K421 PolarHBondContact O-N 2.89Å; E418-H422 PolarHBondContact O-N 3.22Å |
| 419 | K | 86.5 | Confident | 84.6 | Confident | 141 Ų | 141 | 105.8 Ų | 105.8 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.5 | -39.4 | 176 | -155.6 | 171.5 | -171.3 | 176.4 | 0 | 112 | C415 L416 H422 L423 | C415-K419 WeakPolarHBondContact O-CB 3.46Å; C415-K419 PolarHBondContact O-N 3.45Å; L416-K419 PolarHBondContact O-N 3.18Å; K419-H422 PolarHBondContact O-N 2.84Å; K419-L423 WeakPolarHBondContact O-CG 3.36Å; K419-L423 PolarHBondContact O-N 3.42Å |
| 420 | C | 82.4 | Confident | 85.1 | Confident | 65 Ų | 65 | 104.8 Ų | 104.8 | 44% | 0.439 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 172.6 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | L416 I417 E418 H422 L423 E424 | L416-C420 WeakPolarHBondContact O-CB 3.38Å; L416-C420 PolarHBondContact O-N 3.24Å; L416-C420 PolarHBondContact O-SG 2.9Å; I417-C420 PolarHBondContact O-N 3.49Å; E418-C420 PolarHBondContact O-N 3.24Å; C420-H422 VanDerWaalsContact C-N 3.29Å; C420-H422 PolarHBondContact O-N 3.34Å; C420-L423 PolarHBondContact O-N 3.5Å; C420-E424 WeakPolarHBondContact O-CG 3.41Å; C420-E424 PolarHBondContact O-N 2.98Å |
| 421 | K | 87.8 | Confident | 85.5 | Confident | 128 Ų | 128 | 103.9 Ų | 103.9 | 56% | 0.557 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.3 | -35.9 | 175.3 | -74.3 | 179.8 | 179.2 | -179 | 0 | 112.8 | I417 E418 S425 | I417-K421 WeakPolarHBondContact O-CG 3.41Å; I417-K421 PolarHBondContact O-N 3.4Å; E418-K421 PolarHBondContact O-N 2.89Å; K421-S425 PolarHBondContact O-N 2.93Å; K421-S425 VanDerWaalsContact O-N 3.08Å; K421-S425 PolarHBondContact O-OG 3.49Å |
| 422 | H | 85.3 | Confident | 85.8 | Confident | 116 Ų | 116 | 104.2 Ų | 104.2 | 54% | 0.537 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.3 | -46.2 | 175.7 | -167.4 | 52.4 | 0 | 0 | 0 | 111.3 | E418 K419 C420 E424 S425 E426 | E418-H422 PolarHBondContact O-N 3.22Å; K419-H422 PolarHBondContact O-N 2.84Å; C420-H422 VanDerWaalsContact C-N 3.29Å; C420-H422 PolarHBondContact O-N 3.34Å; H422-E424 VanDerWaalsContact C-N 3.32Å; H422-E424 PolarHBondContact O-N 2.86Å; H422-S425 WeakPolarHBondContact O-CA 3.44Å; H422-S425 WeakPolarHBondContact O-CB 3.37Å; H422-S425 PolarHBondContact O-N 3.31Å; H422-S425 VanDerWaalsContact O-N 3.07Å; H422-E426 IonicContact NE2-OE1 3.57Å; H422-E426 PolarHBondContact O-N 3.05Å |
| 423 | L | 85.2 | Confident | 86.3 | Confident | 98 Ų | 98 | 104.1 Ų | 104.1 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -37.2 | 174.6 | -72.3 | 170.7 | 0 | 0 | 0 | 112.5 | K419 C420 S425 E426 L427 | K419-L423 WeakPolarHBondContact O-CG 3.36Å; K419-L423 PolarHBondContact O-N 3.42Å; C420-L423 PolarHBondContact O-N 3.5Å; L423-S425 VanDerWaalsContact C-N 3.3Å; L423-S425 PolarHBondContact O-N 2.89Å; L423-E426 PolarHBondContact O-N 2.87Å; L423-L427 VanDerWaalsContact O-CB 3.28Å; L423-L427 WeakPolarHBondContact O-CB 3.36Å; L423-L427 PolarHBondContact O-N 3.41Å |
| 424 | E | 87.8 | Confident | 86.6 | Confident | 128 Ų | 128 | 104.3 Ų | 104.3 | 60% | 0.598 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.5 | -37.5 | 172.7 | -76.5 | 173.3 | 171.4 | 0 | 0 | 111.8 | C420 H422 M428 | C420-E424 WeakPolarHBondContact O-CG 3.41Å; C420-E424 PolarHBondContact O-N 2.98Å; H422-E424 VanDerWaalsContact C-N 3.32Å; H422-E424 PolarHBondContact O-N 2.86Å; E424-M428 PolarHBondContact O-N 3.45Å |
| 425 | S | 86.1 | Confident | 86.8 | Confident | 74 Ų | 74 | 104.7 Ų | 104.7 | 52% | 0.517 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.9 | -42.4 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 112 | K421 H422 L423 L427 M428 E429 | K421-S425 PolarHBondContact O-N 2.93Å; K421-S425 VanDerWaalsContact O-N 3.08Å; K421-S425 PolarHBondContact O-OG 3.49Å; H422-S425 WeakPolarHBondContact O-CA 3.44Å; H422-S425 WeakPolarHBondContact O-CB 3.37Å; H422-S425 PolarHBondContact O-N 3.31Å; H422-S425 VanDerWaalsContact O-N 3.07Å; L423-S425 VanDerWaalsContact C-N 3.3Å; L423-S425 PolarHBondContact O-N 2.89Å; S425-L427 VanDerWaalsContact C-N 3.31Å; S425-L427 PolarHBondContact O-N 3.31Å; S425-M428 PolarHBondContact O-N 3.33Å; S425-E429 PolarHBondContact O-N 3.22Å |
| 426 | E | 87.5 | Confident | 87.1 | Confident | 97 Ų | 97 | 107.4 Ų | 107.4 | 45% | 0.453 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 173.2 | -74.9 | -174.5 | 159.4 | 0 | 0 | 111.7 | H422 L423 E429 S430 | H422-E426 IonicContact NE2-OE1 3.57Å; H422-E426 PolarHBondContact O-N 3.05Å; L423-E426 PolarHBondContact O-N 2.87Å; E426-E429 PolarHBondContact O-N 3.49Å; E426-S430 VanDerWaalsContact O-CB 3.31Å; E426-S430 WeakPolarHBondContact O-CB 3.14Å; E426-S430 PolarHBondContact O-N 2.9Å |
| 427 | L | 87.3 | Confident | 87.4 | Confident | 109 Ų | 109 | 107.8 Ų | 107.8 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.2 | -43.1 | 174.9 | -169.3 | 81.8 | 0 | 0 | 0 | 111.2 | L423 S425 S430 N431 | L423-L427 VanDerWaalsContact O-CB 3.28Å; L423-L427 WeakPolarHBondContact O-CB 3.36Å; L423-L427 PolarHBondContact O-N 3.41Å; S425-L427 VanDerWaalsContact C-N 3.31Å; S425-L427 PolarHBondContact O-N 3.31Å; L427-S430 PolarHBondContact O-N 3.42Å; L427-N431 WeakPolarHBondContact O-CB 3.39Å; L427-N431 VanDerWaalsContact O-CG 3.24Å; L427-N431 PolarHBondContact O-N 3.25Å; L427-N431 PolarHBondContact O-ND2 3.06Å |
| 428 | M | 88.1 | Confident | 87.5 | Confident | 151 Ų | 151 | 108.5 Ų | 108.5 | 74% | 0.744 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.5 | -44.2 | 173.5 | -88 | -155.3 | -166.8 | 0 | 0 | 112 | E424 S425 N431 S432 | E424-M428 PolarHBondContact O-N 3.45Å; S425-M428 PolarHBondContact O-N 3.33Å; M428-N431 PolarHBondContact O-N 2.86Å; M428-S432 PolarHBondContact O-N 3.39Å |
| 429 | E | 88.3 | Confident | 87.6 | Confident | 109 Ų | 109 | 106.7 Ų | 106.7 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 178.3 | -163.4 | -170.8 | 148.1 | 0 | 0 | 111.5 | S425 E426 N431 S432 K433 | S425-E429 PolarHBondContact O-N 3.22Å; E426-E429 PolarHBondContact O-N 3.49Å; E429-N431 VanDerWaalsContact C-N 3.34Å; E429-N431 PolarHBondContact O-N 2.95Å; E429-S432 PolarHBondContact O-N 2.77Å; E429-K433 PolarHBondContact O-N 3.37Å; E429-K433 VanDerWaalsContact OE1-CE 3.29Å; E429-K433 WeakPolarHBondContact OE1-CE 3.45Å; E429-K433 IonicContact OE1-NZ 2.66Å; E429-K433 PolarHBondContact OE1-NZ 3.03Å |
| 430 | S | 85.5 | Confident | 87.8 | Confident | 68 Ų | 68 | 103.7 Ų | 103.7 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 174.3 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | E426 L427 K433 N434 | E426-S430 VanDerWaalsContact O-CB 3.31Å; E426-S430 WeakPolarHBondContact O-CB 3.14Å; E426-S430 PolarHBondContact O-N 2.9Å; L427-S430 PolarHBondContact O-N 3.42Å; S430-K433 PolarHBondContact O-N 3.5Å; S430-N434 WeakPolarHBondContact O-CB 3.44Å; S430-N434 PolarHBondContact O-N 3.48Å |
| 431 | N | 90.1 | Very high | 88 | Confident | 80 Ų | 80 | 104.9 Ų | 104.9 | 43% | 0.428 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 175.9 | -76 | -24.4 | 0 | 0 | 0 | 111.6 | L427 M428 E429 K433 N434 E435 | L427-N431 WeakPolarHBondContact O-CB 3.39Å; L427-N431 VanDerWaalsContact O-CG 3.24Å; L427-N431 PolarHBondContact O-N 3.25Å; L427-N431 PolarHBondContact O-ND2 3.06Å; M428-N431 PolarHBondContact O-N 2.86Å; E429-N431 VanDerWaalsContact C-N 3.34Å; E429-N431 PolarHBondContact O-N 2.95Å; N431-K433 VanDerWaalsContact C-N 3.35Å; N431-K433 PolarHBondContact O-N 3.48Å; N431-N434 WeakPolarHBondContact O-CB 3.34Å; N431-N434 PolarHBondContact O-N 2.96Å; N431-N434 VanDerWaalsContact O-N 3.14Å; N431-E435 WeakPolarHBondContact O-CG 3.41Å; N431-E435 PolarHBondContact O-N 3.19Å |
| 432 | S | 89.1 | Confident | 88.2 | Confident | 71 Ų | 71 | 102.7 Ų | 102.7 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 175.8 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | M428 E429 N434 E435 K436 | M428-S432 PolarHBondContact O-N 3.39Å; E429-S432 PolarHBondContact O-N 2.77Å; S432-N434 VanDerWaalsContact C-N 3.34Å; S432-E435 PolarHBondContact O-N 2.9Å; S432-K436 PolarHBondContact O-N 3.03Å |
| 433 | K | 90.9 | Very high | 88.4 | Confident | 119 Ų | 119 | 101.6 Ų | 101.6 | 52% | 0.517 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 171.9 | -75.3 | 174.1 | -173.9 | 160.3 | 0 | 111.8 | E429 S430 N431 K436 L437 | E429-K433 PolarHBondContact O-N 3.37Å; E429-K433 VanDerWaalsContact OE1-CE 3.29Å; E429-K433 WeakPolarHBondContact OE1-CE 3.45Å; E429-K433 IonicContact OE1-NZ 2.66Å; E429-K433 PolarHBondContact OE1-NZ 3.03Å; S430-K433 PolarHBondContact O-N 3.5Å; N431-K433 VanDerWaalsContact C-N 3.35Å; N431-K433 PolarHBondContact O-N 3.48Å; K433-K436 WeakPolarHBondContact O-CB 3.3Å; K433-K436 PolarHBondContact O-N 3.42Å; K433-L437 WeakPolarHBondContact O-CG 3.37Å; K433-L437 PolarHBondContact O-N 2.9Å |
| 434 | N | 86.7 | Confident | 88.5 | Confident | 104 Ų | 104 | 99 Ų | 99 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -40 | 178.3 | -138.2 | 8.2 | 0 | 0 | 0 | 111.5 | S430 N431 S432 K436 L437 Q438 | S430-N434 WeakPolarHBondContact O-CB 3.44Å; S430-N434 PolarHBondContact O-N 3.48Å; N431-N434 WeakPolarHBondContact O-CB 3.34Å; N431-N434 PolarHBondContact O-N 2.96Å; N431-N434 VanDerWaalsContact O-N 3.14Å; S432-N434 VanDerWaalsContact C-N 3.34Å; N434-K436 VanDerWaalsContact C-N 3.35Å; N434-L437 PolarHBondContact O-N 3.3Å; N434-Q438 WeakPolarHBondContact O-CB 3.44Å; N434-Q438 PolarHBondContact O-N 3.3Å |
| 435 | E | 90 | Very high | 88.5 | Confident | 139 Ų | 139 | 96.7 Ų | 96.7 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.9 | -42.5 | 172.1 | -74.1 | 175.7 | 174.2 | 0 | 0 | 111.7 | N431 S432 Q438 E439 | N431-E435 WeakPolarHBondContact O-CG 3.41Å; N431-E435 PolarHBondContact O-N 3.19Å; S432-E435 PolarHBondContact O-N 2.9Å; E435-Q438 PolarHBondContact O-N 3.1Å; E435-E439 PolarHBondContact O-N 3.01Å |
| 436 | K | 89.4 | Confident | 88.7 | Confident | 134 Ų | 134 | 99.1 Ų | 99.1 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.4 | -48 | 175.6 | -158.4 | 90.3 | 179.2 | -176.1 | 0 | 112 | S432 K433 N434 Q438 E439 D440 | S432-K436 PolarHBondContact O-N 3.03Å; K433-K436 WeakPolarHBondContact O-CB 3.3Å; K433-K436 PolarHBondContact O-N 3.42Å; N434-K436 VanDerWaalsContact C-N 3.35Å; K436-Q438 VanDerWaalsContact C-N 3.3Å; K436-Q438 PolarHBondContact O-N 3.33Å; K436-E439 WeakPolarHBondContact O-CB 3.48Å; K436-E439 PolarHBondContact O-N 3.36Å; K436-D440 PolarHBondContact O-N 3.21Å |
| 437 | L | 87.5 | Confident | 88.7 | Confident | 113 Ų | 113 | 99.5 Ų | 99.5 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.2 | -36.7 | 177.3 | -74.9 | 170.8 | 0 | 0 | 0 | 111.8 | K433 N434 D440 L441 | K433-L437 WeakPolarHBondContact O-CG 3.37Å; K433-L437 PolarHBondContact O-N 2.9Å; N434-L437 PolarHBondContact O-N 3.3Å; L437-D440 PolarHBondContact O-N 3.09Å; L437-L441 VanDerWaalsContact O-CB 3.31Å; L437-L441 WeakPolarHBondContact O-CB 3.41Å; L437-L441 PolarHBondContact O-N 3.46Å |
| 438 | Q | 89.7 | Confident | 88.7 | Confident | 100 Ų | 100 | 98 Ų | 98 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 175 | -170.9 | 62.9 | 44.2 | 0 | 0 | 111.5 | N434 E435 K436 N442 | N434-Q438 WeakPolarHBondContact O-CB 3.44Å; N434-Q438 PolarHBondContact O-N 3.3Å; E435-Q438 PolarHBondContact O-N 3.1Å; K436-Q438 VanDerWaalsContact C-N 3.3Å; K436-Q438 PolarHBondContact O-N 3.33Å; Q438-N442 PolarHBondContact O-N 2.91Å; Q438-N442 PolarHBondContact O-ND2 3.09Å; Q438-N442 PolarHBondContact O-OD1 3.04Å |
| 439 | E | 88.6 | Confident | 88.7 | Confident | 96 Ų | 96 | 95.5 Ų | 95.5 | 45% | 0.449 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 174.6 | -158.2 | -168.5 | 148.3 | 0 | 0 | 111.7 | E435 K436 N442 K443 | E435-E439 PolarHBondContact O-N 3.01Å; K436-E439 WeakPolarHBondContact O-CB 3.48Å; K436-E439 PolarHBondContact O-N 3.36Å; E439-N442 WeakPolarHBondContact O-CB 3.43Å; E439-N442 PolarHBondContact O-N 3.48Å; E439-K443 WeakPolarHBondContact O-CG 3.49Å; E439-K443 PolarHBondContact O-N 3.03Å; E439-K443 WeakPolarHBondContact OE1-CE 3.46Å; E439-K443 IonicContact OE1-NZ 3.99Å; E439-K443 PolarHBondContact OE1-NZ 3.35Å |
| 440 | D | 90 | Very high | 88.6 | Confident | 79 Ų | 79 | 96 Ų | 96 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 177.4 | -70.9 | -19.4 | 0 | 0 | 0 | 112.2 | K436 L437 N442 K443 A444 | K436-D440 PolarHBondContact O-N 3.21Å; L437-D440 PolarHBondContact O-N 3.09Å; D440-N442 VanDerWaalsContact C-N 3.33Å; D440-N442 PolarHBondContact O-N 2.94Å; D440-K443 PolarHBondContact O-N 3Å; D440-A444 WeakPolarHBondContact O-CB 3.3Å; D440-A444 PolarHBondContact O-N 2.83Å |
| 441 | L | 87.4 | Confident | 88.5 | Confident | 90 Ų | 90 | 96.6 Ų | 96.6 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -42.4 | 171.8 | -172.8 | 78 | 0 | 0 | 0 | 111.2 | L437 A444 N445 | L437-L441 VanDerWaalsContact O-CB 3.31Å; L437-L441 WeakPolarHBondContact O-CB 3.41Å; L437-L441 PolarHBondContact O-N 3.46Å; L441-A444 PolarHBondContact O-N 2.69Å; L441-N445 WeakPolarHBondContact O-CB 3.5Å; L441-N445 PolarHBondContact O-N 2.66Å; L441-N445 PolarHBondContact O-ND2 3Å; L441-N445 VanDerWaalsContact O-ND2 3.11Å |
| 442 | N | 90.9 | Very high | 88.3 | Confident | 82 Ų | 82 | 97.7 Ų | 97.7 | 44% | 0.439 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 176.6 | -69 | -17.9 | 0 | 0 | 0 | 111.3 | Q438 E439 D440 N445 E446 | Q438-N442 PolarHBondContact O-N 2.91Å; Q438-N442 PolarHBondContact O-ND2 3.09Å; Q438-N442 PolarHBondContact O-OD1 3.04Å; E439-N442 WeakPolarHBondContact O-CB 3.43Å; E439-N442 PolarHBondContact O-N 3.48Å; D440-N442 VanDerWaalsContact C-N 3.33Å; D440-N442 PolarHBondContact O-N 2.94Å; N442-N445 PolarHBondContact O-N 2.99Å; N442-E446 PolarHBondContact O-N 3.44Å |
| 443 | K | 90 | Very high | 88.3 | Confident | 92 Ų | 92 | 98.9 Ų | 98.9 | 40% | 0.4 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 175.3 | -71.1 | 169.8 | -173.2 | 158 | 0 | 112.4 | E439 D440 N445 E446 I447 | E439-K443 WeakPolarHBondContact O-CG 3.49Å; E439-K443 PolarHBondContact O-N 3.03Å; E439-K443 WeakPolarHBondContact OE1-CE 3.46Å; E439-K443 IonicContact OE1-NZ 3.99Å; E439-K443 PolarHBondContact OE1-NZ 3.35Å; D440-K443 PolarHBondContact O-N 3Å; K443-N445 VanDerWaalsContact C-N 3.32Å; K443-N445 PolarHBondContact O-N 3.25Å; K443-E446 PolarHBondContact O-N 3.45Å; K443-I447 WeakPolarHBondContact O-CG1 3.44Å; K443-I447 PolarHBondContact O-N 2.93Å |
| 444 | A | 86.8 | Confident | 88.2 | Confident | 45 Ų | 45 | 97.7 Ų | 97.7 | 37% | 0.372 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D440 L441 I447 I448 | D440-A444 WeakPolarHBondContact O-CB 3.3Å; D440-A444 PolarHBondContact O-N 2.83Å; L441-A444 PolarHBondContact O-N 2.69Å; A444-I447 PolarHBondContact O-N 3.35Å; A444-I448 VanDerWaalsContact O-CG1 3.3Å; A444-I448 WeakPolarHBondContact O-CG1 3.48Å; A444-I448 PolarHBondContact O-N 3.3Å |
| 445 | N | 89.3 | Confident | 88.1 | Confident | 79 Ų | 79 | 98.1 Ų | 98.1 | 42% | 0.422 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.9 | -39.7 | 175.2 | -75.4 | -37.8 | 0 | 0 | 0 | 112.4 | L441 N442 K443 I448 E449 | L441-N445 WeakPolarHBondContact O-CB 3.5Å; L441-N445 PolarHBondContact O-N 2.66Å; L441-N445 PolarHBondContact O-ND2 3Å; L441-N445 VanDerWaalsContact O-ND2 3.11Å; N442-N445 PolarHBondContact O-N 2.99Å; K443-N445 VanDerWaalsContact C-N 3.32Å; K443-N445 PolarHBondContact O-N 3.25Å; N445-I448 PolarHBondContact O-N 2.97Å; N445-E449 PolarHBondContact O-N 3.47Å |
| 446 | E | 89 | Confident | 87.9 | Confident | 125 Ų | 125 | 96 Ų | 96 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -42.2 | 174.1 | -75.1 | -179.2 | 174.8 | 0 | 0 | 112.3 | N442 K443 E449 Q450 | N442-E446 PolarHBondContact O-N 3.44Å; K443-E446 PolarHBondContact O-N 3.45Å; E446-E449 PolarHBondContact O-N 3.03Å; E446-Q450 WeakPolarHBondContact O-CG 3.48Å; E446-Q450 PolarHBondContact O-N 3.38Å |
| 447 | I | 88.5 | Confident | 87.7 | Confident | 105 Ų | 105 | 95.9 Ų | 95.9 | 54% | 0.538 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176 | -65.7 | 167.8 | 0 | 0 | 0 | 111 | K443 A444 Q450 T451 | K443-I447 WeakPolarHBondContact O-CG1 3.44Å; K443-I447 PolarHBondContact O-N 2.93Å; A444-I447 PolarHBondContact O-N 3.35Å; I447-Q450 PolarHBondContact O-N 3.11Å; I447-T451 HydrophobicContact CG2-CG2 4.45Å; I447-T451 WeakPolarHBondContact O-CB 3.37Å; I447-T451 WeakPolarHBondContact O-CG2 3.41Å; I447-T451 PolarHBondContact O-N 3.49Å; I447-T451 PolarHBondContact O-OG1 3.26Å |
| 448 | I | 86.4 | Confident | 87.6 | Confident | 76 Ų | 76 | 95.6 Ų | 95.6 | 39% | 0.39 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 175.4 | -71.2 | 167.1 | 0 | 0 | 0 | 111.1 | A444 N445 T451 K452 | A444-I448 VanDerWaalsContact O-CG1 3.3Å; A444-I448 WeakPolarHBondContact O-CG1 3.48Å; A444-I448 PolarHBondContact O-N 3.3Å; N445-I448 PolarHBondContact O-N 2.97Å; I448-T451 WeakPolarHBondContact CA-OG1 3.43Å; I448-T451 PolarHBondContact O-N 2.9Å; I448-T451 PolarHBondContact O-OG1 2.89Å; I448-K452 HydrophobicContact CG2-CD 4.19Å; I448-K452 WeakPolarHBondContact O-CB 3.39Å; I448-K452 WeakPolarHBondContact O-CG 3.5Å; I448-K452 PolarHBondContact O-N 2.9Å |
| 449 | E | 88.5 | Confident | 87.4 | Confident | 99 Ų | 99 | 95.4 Ų | 95.4 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.9 | -38.1 | 177.6 | -73.8 | -56.4 | 132.4 | 0 | 0 | 112.4 | N445 E446 K452 L453 | N445-E449 PolarHBondContact O-N 3.47Å; E446-E449 PolarHBondContact O-N 3.03Å; E449-K452 PolarHBondContact O-N 3.27Å; E449-K452 WeakPolarHBondContact OE1-CD 3.41Å; E449-K452 IonicContact OE1-NZ 3.96Å; E449-K452 PolarHBondContact OE1-NZ 3.37Å; E449-L453 WeakPolarHBondContact O-CB 3.37Å; E449-L453 WeakPolarHBondContact O-CG 3.4Å; E449-L453 PolarHBondContact O-N 3.48Å |
| 450 | Q | 85.9 | Confident | 87.3 | Confident | 121 Ų | 121 | 94.4 Ų | 94.4 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 173.3 | -74.4 | 178.4 | 10.1 | 0 | 0 | 112.5 | E446 I447 L453 N454 | E446-Q450 WeakPolarHBondContact O-CG 3.48Å; E446-Q450 PolarHBondContact O-N 3.38Å; I447-Q450 PolarHBondContact O-N 3.11Å; Q450-L453 PolarHBondContact O-N 2.77Å; Q450-N454 PolarHBondContact O-N 2.86Å |
| 451 | T | 83.1 | Confident | 87.1 | Confident | 79 Ų | 79 | 95 Ų | 95 | 49% | 0.485 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68 | -39.1 | 177.1 | 48.6 | 0 | 0 | 0 | 0 | 112.1 | I447 I448 N454 L455 | I447-T451 HydrophobicContact CG2-CG2 4.45Å; I447-T451 WeakPolarHBondContact O-CB 3.37Å; I447-T451 WeakPolarHBondContact O-CG2 3.41Å; I447-T451 PolarHBondContact O-N 3.49Å; I447-T451 PolarHBondContact O-OG1 3.26Å; I448-T451 WeakPolarHBondContact CA-OG1 3.43Å; I448-T451 PolarHBondContact O-N 2.9Å; I448-T451 PolarHBondContact O-OG1 2.89Å; T451-N454 PolarHBondContact O-N 3.45Å; T451-L455 WeakPolarHBondContact O-CB 3.46Å; T451-L455 PolarHBondContact O-N 2.99Å |
| 452 | K | 87.8 | Confident | 87 | Confident | 103 Ų | 103 | 96.2 Ų | 96.2 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 170.2 | -77.6 | 168.7 | 177.7 | 166.7 | 0 | 112.4 | I448 E449 N454 L455 N456 | I448-K452 HydrophobicContact CG2-CD 4.19Å; I448-K452 WeakPolarHBondContact O-CB 3.39Å; I448-K452 WeakPolarHBondContact O-CG 3.5Å; I448-K452 PolarHBondContact O-N 2.9Å; E449-K452 PolarHBondContact O-N 3.27Å; E449-K452 WeakPolarHBondContact OE1-CD 3.41Å; E449-K452 IonicContact OE1-NZ 3.96Å; E449-K452 PolarHBondContact OE1-NZ 3.37Å; K452-N454 VanDerWaalsContact C-N 3.35Å; K452-N454 PolarHBondContact O-N 2.86Å; K452-L455 PolarHBondContact O-N 3.26Å; K452-N456 WeakPolarHBondContact O-CB 3.48Å; K452-N456 PolarHBondContact O-N 2.94Å |
| 453 | L | 87.9 | Confident | 86.9 | Confident | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 176.7 | -81.2 | 167.7 | 0 | 0 | 0 | 112 | E449 Q450 K457 | E449-L453 WeakPolarHBondContact O-CB 3.37Å; E449-L453 WeakPolarHBondContact O-CG 3.4Å; E449-L453 PolarHBondContact O-N 3.48Å; Q450-L453 PolarHBondContact O-N 2.77Å; L453-K457 WeakPolarHBondContact O-CG 3.35Å; L453-K457 PolarHBondContact O-N 3.41Å |
| 454 | N | 88.4 | Confident | 86.5 | Confident | 95 Ų | 95 | 93.6 Ų | 93.6 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 175.9 | -76.6 | -15.3 | 0 | 0 | 0 | 112.4 | Q450 T451 K452 K457 Q458 | Q450-N454 PolarHBondContact O-N 2.86Å; T451-N454 PolarHBondContact O-N 3.45Å; K452-N454 VanDerWaalsContact C-N 3.35Å; K452-N454 PolarHBondContact O-N 2.86Å; N454-K457 PolarHBondContact O-N 3.07Å; N454-Q458 PolarHBondContact O-N 2.68Å |
| 455 | L | 85 | Confident | 86.4 | Confident | 113 Ų | 113 | 97 Ų | 97 | 59% | 0.592 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 175.7 | -171.9 | 68.9 | 0 | 0 | 0 | 111.2 | T451 K452 K457 Q458 N459 | T451-L455 WeakPolarHBondContact O-CB 3.46Å; T451-L455 PolarHBondContact O-N 2.99Å; K452-L455 PolarHBondContact O-N 3.26Å; L455-K457 PolarHBondContact O-N 3.43Å; L455-Q458 PolarHBondContact O-N 2.98Å; L455-N459 WeakPolarHBondContact O-CB 3.36Å; L455-N459 PolarHBondContact O-N 3.34Å |
| 456 | N | 85.9 | Confident | 86.1 | Confident | 95 Ų | 95 | 98 Ų | 98 | 51% | 0.508 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 174.5 | -80.9 | -14.5 | 0 | 0 | 0 | 111.7 | K452 Q458 N459 D460 | K452-N456 WeakPolarHBondContact O-CB 3.48Å; K452-N456 PolarHBondContact O-N 2.94Å; N456-Q458 VanDerWaalsContact C-N 3.34Å; N456-Q458 PolarHBondContact O-N 3.38Å; N456-N459 PolarHBondContact O-N 3.04Å; N456-D460 VanDerWaalsContact O-CG 3.3Å; N456-D460 PolarHBondContact O-N 2.9Å |
| 457 | K | 86 | Confident | 85.9 | Confident | 130 Ų | 130 | 95.9 Ų | 95.9 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.7 | -40.5 | 174.6 | -74.6 | 174.8 | -178.3 | 174.8 | 0 | 112.7 | L453 N454 L455 N461 | L453-K457 WeakPolarHBondContact O-CG 3.35Å; L453-K457 PolarHBondContact O-N 3.41Å; N454-K457 PolarHBondContact O-N 3.07Å; L455-K457 PolarHBondContact O-N 3.43Å; K457-N461 PolarHBondContact O-N 3.1Å; K457-N461 PolarHBondContact O-ND2 2.91Å |
| 458 | Q | 85.3 | Confident | 85.7 | Confident | 108 Ų | 108 | 95.5 Ų | 95.5 | 51% | 0.505 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 174.2 | -81.1 | -171.9 | -19.9 | 0 | 0 | 111.7 | N454 L455 N456 N461 F462 | N454-Q458 PolarHBondContact O-N 2.68Å; L455-Q458 PolarHBondContact O-N 2.98Å; N456-Q458 VanDerWaalsContact C-N 3.34Å; N456-Q458 PolarHBondContact O-N 3.38Å; Q458-N461 WeakPolarHBondContact O-CB 3.35Å; Q458-N461 PolarHBondContact O-N 2.89Å; Q458-F462 HydrophobicContact CB-CE2 4.24Å; Q458-F462 WeakPolarHBondContact O-CD2 3.45Å; Q458-F462 WeakPolarHBondContact O-CG 3.42Å; Q458-F462 PolarHBondContact O-N 3.42Å |
| 459 | N | 84.7 | Confident | 85.4 | Confident | 95 Ų | 95 | 96.1 Ų | 96.1 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 178.5 | -147.9 | 28.7 | 0 | 0 | 0 | 111.2 | L455 N456 N461 F462 V463 | L455-N459 WeakPolarHBondContact O-CB 3.36Å; L455-N459 PolarHBondContact O-N 3.34Å; N456-N459 PolarHBondContact O-N 3.04Å; N459-N461 VanDerWaalsContact C-N 3.32Å; N459-N461 PolarHBondContact O-N 3.13Å; N459-F462 PolarHBondContact O-N 2.89Å; N459-V463 WeakPolarHBondContact O-CB 3.34Å; N459-V463 VanDerWaalsContact O-CG2 3.27Å; N459-V463 WeakPolarHBondContact O-CG2 3.31Å; N459-V463 PolarHBondContact O-N 2.88Å |
| 460 | D | 87.1 | Confident | 85.3 | Confident | 75 Ų | 75 | 97.8 Ų | 97.8 | 40% | 0.401 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 173.5 | -68.3 | -23.5 | 0 | 0 | 0 | 111.5 | N456 V463 N464 | N456-D460 VanDerWaalsContact O-CG 3.3Å; N456-D460 PolarHBondContact O-N 2.9Å; D460-V463 PolarHBondContact O-N 2.88Å; D460-N464 WeakPolarHBondContact O-CB 3.48Å; D460-N464 PolarHBondContact O-N 3.32Å; D460-N464 PolarHBondContact O-ND2 3.44Å; D460-N464 VanDerWaalsContact O-ND2 3.07Å |
| 461 | N | 86.2 | Confident | 85.2 | Confident | 91 Ų | 91 | 97.6 Ų | 97.6 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 174.5 | -72.4 | -15.6 | 0 | 0 | 0 | 111.9 | K457 Q458 N459 V463 N464 E465 | K457-N461 PolarHBondContact O-N 3.1Å; K457-N461 PolarHBondContact O-ND2 2.91Å; Q458-N461 WeakPolarHBondContact O-CB 3.35Å; Q458-N461 PolarHBondContact O-N 2.89Å; N459-N461 VanDerWaalsContact C-N 3.32Å; N459-N461 PolarHBondContact O-N 3.13Å; N461-V463 VanDerWaalsContact C-N 3.34Å; N461-V463 PolarHBondContact O-N 3.48Å; N461-N464 PolarHBondContact O-N 3.06Å; N461-E465 WeakPolarHBondContact O-CB 3.32Å; N461-E465 PolarHBondContact O-N 3.37Å |
| 462 | F | 85.1 | Confident | 85.2 | Confident | 116 Ų | 116 | 98.7 Ų | 98.7 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -36 | 176.9 | -69.1 | -48.6 | 0 | 0 | 0 | 112.6 | Q458 N459 E465 L466 | Q458-F462 HydrophobicContact CB-CE2 4.24Å; Q458-F462 WeakPolarHBondContact O-CD2 3.45Å; Q458-F462 WeakPolarHBondContact O-CG 3.42Å; Q458-F462 PolarHBondContact O-N 3.42Å; N459-F462 PolarHBondContact O-N 2.89Å; F462-E465 PolarHBondContact O-N 3.17Å; F462-L466 VanDerWaalsContact O-CB 3.31Å; F462-L466 WeakPolarHBondContact O-CB 3.45Å; F462-L466 WeakPolarHBondContact O-CG 3.27Å; F462-L466 PolarHBondContact O-N 2.99Å |
| 463 | V | 87.7 | Confident | 84.9 | Confident | 65 Ų | 65 | 98.7 Ų | 98.7 | 39% | 0.394 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 173.9 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | N459 D460 N461 L466 N467 | N459-V463 WeakPolarHBondContact O-CB 3.34Å; N459-V463 VanDerWaalsContact O-CG2 3.27Å; N459-V463 WeakPolarHBondContact O-CG2 3.31Å; N459-V463 PolarHBondContact O-N 2.88Å; D460-V463 PolarHBondContact O-N 2.88Å; N461-V463 VanDerWaalsContact C-N 3.34Å; N461-V463 PolarHBondContact O-N 3.48Å; V463-L466 PolarHBondContact O-N 3.47Å; V463-N467 WeakPolarHBondContact O-CB 3.44Å; V463-N467 PolarHBondContact O-N 2.95Å; V463-N467 PolarHBondContact O-ND2 2.93Å |
| 464 | N | 82.8 | Confident | 84.8 | Confident | 55 Ų | 55 | 97.7 Ų | 97.7 | 29% | 0.294 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 175.9 | -68.5 | -28.3 | 0 | 0 | 0 | 111.8 | D460 N461 N467 L468 | D460-N464 WeakPolarHBondContact O-CB 3.48Å; D460-N464 PolarHBondContact O-N 3.32Å; D460-N464 PolarHBondContact O-ND2 3.44Å; D460-N464 VanDerWaalsContact O-ND2 3.07Å; N461-N464 PolarHBondContact O-N 3.06Å; N464-N467 PolarHBondContact O-N 3.29Å; N464-L468 WeakPolarHBondContact O-CB 3.41Å; N464-L468 PolarHBondContact O-N 3Å |
| 465 | E | 83.7 | Confident | 84.5 | Confident | 116 Ų | 116 | 98.1 Ų | 98.1 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 177.4 | -160.1 | 170.8 | -153.4 | 0 | 0 | 111.8 | N461 F462 N467 L468 L469 | N461-E465 WeakPolarHBondContact O-CB 3.32Å; N461-E465 PolarHBondContact O-N 3.37Å; F462-E465 PolarHBondContact O-N 3.17Å; E465-N467 VanDerWaalsContact C-N 3.35Å; E465-N467 PolarHBondContact O-N 3.31Å; E465-L468 PolarHBondContact O-N 2.86Å; E465-L469 WeakPolarHBondContact O-CB 3.33Å; E465-L469 WeakPolarHBondContact O-CG 3.3Å; E465-L469 PolarHBondContact O-N 3.18Å |
| 466 | L | 82.6 | Confident | 84.3 | Confident | 99 Ų | 99 | 95 Ų | 95 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 171.6 | -87.2 | 170.8 | 0 | 0 | 0 | 112.5 | F462 V463 K470 | F462-L466 VanDerWaalsContact O-CB 3.31Å; F462-L466 WeakPolarHBondContact O-CB 3.45Å; F462-L466 WeakPolarHBondContact O-CG 3.27Å; F462-L466 PolarHBondContact O-N 2.99Å; V463-L466 PolarHBondContact O-N 3.47Å; L466-K470 WeakPolarHBondContact O-CB 3.36Å; L466-K470 VanDerWaalsContact O-CG 3.29Å; L466-K470 WeakPolarHBondContact O-CG 3.5Å; L466-K470 PolarHBondContact O-N 3.26Å |
| 467 | N | 85.9 | Confident | 84.2 | Confident | 81 Ų | 81 | 95.1 Ų | 95.1 | 43% | 0.433 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 176.7 | -72.1 | -24.9 | 0 | 0 | 0 | 111.2 | V463 N464 E465 K470 E471 | V463-N467 WeakPolarHBondContact O-CB 3.44Å; V463-N467 PolarHBondContact O-N 2.95Å; V463-N467 PolarHBondContact O-ND2 2.93Å; N464-N467 PolarHBondContact O-N 3.29Å; E465-N467 VanDerWaalsContact C-N 3.35Å; E465-N467 PolarHBondContact O-N 3.31Å; N467-K470 PolarHBondContact O-N 3.43Å; N467-E471 PolarHBondContact O-N 2.87Å |
| 468 | L | 83 | Confident | 84 | Confident | 97 Ų | 97 | 94.9 Ų | 94.9 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 175.9 | -167.6 | 73 | 0 | 0 | 0 | 111.7 | N464 E465 E471 Q472 | N464-L468 WeakPolarHBondContact O-CB 3.41Å; N464-L468 PolarHBondContact O-N 3Å; E465-L468 PolarHBondContact O-N 2.86Å; L468-E471 PolarHBondContact O-N 3.42Å; L468-Q472 WeakPolarHBondContact O-CG 3.48Å; L468-Q472 PolarHBondContact O-N 3.43Å |
| 469 | L | 80.2 | Confident | 83.9 | Confident | 89 Ų | 89 | 95 Ų | 95 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.9 | -38 | 175.5 | -75.1 | 169.8 | 0 | 0 | 0 | 112.2 | E465 Q472 I473 | E465-L469 WeakPolarHBondContact O-CB 3.33Å; E465-L469 WeakPolarHBondContact O-CG 3.3Å; E465-L469 PolarHBondContact O-N 3.18Å; L469-Q472 PolarHBondContact O-N 2.94Å; L469-I473 WeakPolarHBondContact O-CB 3.42Å; L469-I473 VanDerWaalsContact O-CG1 3.24Å; L469-I473 WeakPolarHBondContact O-CG1 3.41Å; L469-I473 PolarHBondContact O-N 3.38Å |
| 470 | K | 86.7 | Confident | 83.8 | Confident | 134 Ų | 134 | 95.2 Ų | 95.2 | 58% | 0.583 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 174.2 | -79.2 | 174.7 | -179.3 | 176.9 | 0 | 111.9 | L466 N467 I473 S474 | L466-K470 WeakPolarHBondContact O-CB 3.36Å; L466-K470 VanDerWaalsContact O-CG 3.29Å; L466-K470 WeakPolarHBondContact O-CG 3.5Å; L466-K470 PolarHBondContact O-N 3.26Å; N467-K470 PolarHBondContact O-N 3.43Å; K470-I473 PolarHBondContact O-N 3.46Å; K470-S474 WeakPolarHBondContact O-CB 3.14Å; K470-S474 PolarHBondContact O-N 3.4Å |
| 471 | E | 84.6 | Confident | 83.7 | Confident | 118 Ų | 118 | 95.8 Ų | 95.8 | 55% | 0.551 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 176.5 | -166.8 | 166.6 | -155.6 | 0 | 0 | 110.7 | N467 L468 I473 S474 E475 | N467-E471 PolarHBondContact O-N 2.87Å; L468-E471 PolarHBondContact O-N 3.42Å; E471-I473 VanDerWaalsContact C-N 3.35Å; E471-I473 PolarHBondContact O-N 3.06Å; E471-S474 WeakPolarHBondContact O-CA 3.4Å; E471-S474 WeakPolarHBondContact O-CB 3.25Å; E471-S474 PolarHBondContact O-N 2.96Å; E471-S474 VanDerWaalsContact O-N 3.08Å; E471-E475 PolarHBondContact O-N 3.23Å |
| 472 | Q | 83.5 | Confident | 83.6 | Confident | 102 Ų | 102 | 95.9 Ų | 95.9 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 173.4 | -73.6 | 177.6 | -6 | 0 | 0 | 113.1 | L468 L469 A476 | L468-Q472 WeakPolarHBondContact O-CG 3.48Å; L468-Q472 PolarHBondContact O-N 3.43Å; L469-Q472 PolarHBondContact O-N 2.94Å; Q472-A476 VanDerWaalsContact O-CB 3.26Å; Q472-A476 WeakPolarHBondContact O-CB 3.39Å; Q472-A476 PolarHBondContact O-N 2.95Å |
| 473 | I | 81.7 | Confident | 83.6 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -40 | 174.4 | -72 | 165.7 | 0 | 0 | 0 | 110.8 | L469 K470 E471 A476 N477 | L469-I473 WeakPolarHBondContact O-CB 3.42Å; L469-I473 VanDerWaalsContact O-CG1 3.24Å; L469-I473 WeakPolarHBondContact O-CG1 3.41Å; L469-I473 PolarHBondContact O-N 3.38Å; K470-I473 PolarHBondContact O-N 3.46Å; E471-I473 VanDerWaalsContact C-N 3.35Å; E471-I473 PolarHBondContact O-N 3.06Å; I473-A476 PolarHBondContact O-N 2.97Å; I473-N477 WeakPolarHBondContact O-CB 3.22Å; I473-N477 VanDerWaalsContact O-CG 3.29Å; I473-N477 PolarHBondContact O-N 3.4Å; I473-N477 PolarHBondContact O-ND2 3.11Å |
| 474 | S | 84.2 | Confident | 83.2 | Confident | 75 Ų | 75 | 96.8 Ų | 96.8 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 176.5 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | K470 E471 A476 N477 E478 | K470-S474 WeakPolarHBondContact O-CB 3.14Å; K470-S474 PolarHBondContact O-N 3.4Å; E471-S474 WeakPolarHBondContact O-CA 3.4Å; E471-S474 WeakPolarHBondContact O-CB 3.25Å; E471-S474 PolarHBondContact O-N 2.96Å; E471-S474 VanDerWaalsContact O-N 3.08Å; S474-A476 PolarHBondContact O-N 2.92Å; S474-N477 PolarHBondContact O-N 3.03Å; S474-E478 PolarHBondContact O-N 2.75Å |
| 475 | E | 82.8 | Confident | 83.3 | Confident | 105 Ų | 105 | 100.5 Ų | 100.5 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 174.9 | -73.7 | -175.1 | 171.5 | 0 | 0 | 111.8 | E471 N477 E478 Q479 | E471-E475 PolarHBondContact O-N 3.23Å; E475-N477 PolarHBondContact O-N 3.07Å; E475-E478 PolarHBondContact O-N 2.93Å; E475-Q479 WeakPolarHBondContact O-CB 3.15Å; E475-Q479 WeakPolarHBondContact O-CG 3.49Å; E475-Q479 PolarHBondContact O-N 3.01Å |
| 476 | A | 80.7 | Confident | 83.2 | Confident | 46 Ų | 46 | 100.2 Ų | 100.2 | 38% | 0.38 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q472 I473 S474 Q479 I480 | Q472-A476 VanDerWaalsContact O-CB 3.26Å; Q472-A476 WeakPolarHBondContact O-CB 3.39Å; Q472-A476 PolarHBondContact O-N 2.95Å; I473-A476 PolarHBondContact O-N 2.97Å; S474-A476 PolarHBondContact O-N 2.92Å; A476-Q479 PolarHBondContact O-N 3.14Å; A476-I480 WeakPolarHBondContact O-CB 3.29Å; A476-I480 VanDerWaalsContact O-CG1 3.27Å; A476-I480 WeakPolarHBondContact O-CG1 3.49Å; A476-I480 PolarHBondContact O-N 2.67Å |
| 477 | N | 83.4 | Confident | 83.2 | Confident | 98 Ų | 98 | 100 Ų | 100 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 174.8 | -78.1 | -32 | 0 | 0 | 0 | 112 | I473 S474 E475 I480 N481 | I473-N477 WeakPolarHBondContact O-CB 3.22Å; I473-N477 VanDerWaalsContact O-CG 3.29Å; I473-N477 PolarHBondContact O-N 3.4Å; I473-N477 PolarHBondContact O-ND2 3.11Å; S474-N477 PolarHBondContact O-N 3.03Å; E475-N477 PolarHBondContact O-N 3.07Å; N477-I480 PolarHBondContact O-N 3.48Å; N477-N481 WeakPolarHBondContact O-CB 3.29Å; N477-N481 PolarHBondContact O-N 3.39Å |
| 478 | E | 82.2 | Confident | 83.2 | Confident | 126 Ų | 126 | 101.6 Ų | 101.6 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.5 | -41.8 | 175.7 | -155.5 | -179.9 | -166 | 0 | 0 | 111.2 | S474 E475 I480 N481 I482 | S474-E478 PolarHBondContact O-N 2.75Å; E475-E478 PolarHBondContact O-N 2.93Å; E478-I480 PolarHBondContact O-N 3.28Å; E478-N481 PolarHBondContact O-N 3.13Å; E478-I482 HydrophobicContact CG-CD1 4.47Å; E478-I482 VanDerWaalsContact O-CG1 3.31Å; E478-I482 WeakPolarHBondContact O-CG1 3.49Å; E478-I482 PolarHBondContact O-N 3Å |
| 479 | Q | 83 | Confident | 83.3 | Confident | 109 Ų | 109 | 103.3 Ų | 103.3 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 172.8 | -75.1 | -172.7 | 27.3 | 0 | 0 | 112.7 | E475 A476 I482 K483 | E475-Q479 WeakPolarHBondContact O-CB 3.15Å; E475-Q479 WeakPolarHBondContact O-CG 3.49Å; E475-Q479 PolarHBondContact O-N 3.01Å; A476-Q479 PolarHBondContact O-N 3.14Å; Q479-I482 PolarHBondContact O-N 2.9Å; Q479-K483 WeakPolarHBondContact O-CB 3.39Å; Q479-K483 WeakPolarHBondContact O-CG 3.49Å; Q479-K483 PolarHBondContact O-N 3.21Å |
| 480 | I | 83.4 | Confident | 83.2 | Confident | 100 Ų | 100 | 101.1 Ų | 101.1 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 174.1 | -72.7 | 166 | 0 | 0 | 0 | 109.8 | A476 N477 E478 I482 K483 S484 | A476-I480 WeakPolarHBondContact O-CB 3.29Å; A476-I480 VanDerWaalsContact O-CG1 3.27Å; A476-I480 WeakPolarHBondContact O-CG1 3.49Å; A476-I480 PolarHBondContact O-N 2.67Å; N477-I480 PolarHBondContact O-N 3.48Å; E478-I480 PolarHBondContact O-N 3.28Å; I480-I482 PolarHBondContact O-N 2.9Å; I480-K483 PolarHBondContact O-N 3.21Å; I480-S484 WeakPolarHBondContact O-CB 3.38Å; I480-S484 PolarHBondContact O-N 3.47Å; I480-S484 PolarHBondContact O-OG 2.88Å; I480-S484 VanDerWaalsContact O-OG 3.07Å |
| 481 | N | 85.1 | Confident | 83.1 | Confident | 87 Ų | 87 | 99.8 Ų | 99.8 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 178.7 | -166 | -12.8 | 0 | 0 | 0 | 112 | N477 E478 S484 K485 | N477-N481 WeakPolarHBondContact O-CB 3.29Å; N477-N481 PolarHBondContact O-N 3.39Å; E478-N481 PolarHBondContact O-N 3.13Å; N481-S484 PolarHBondContact O-N 2.91Å; N481-K485 WeakPolarHBondContact O-CG 3.39Å; N481-K485 PolarHBondContact O-N 3.2Å |
| 482 | I | 83.9 | Confident | 83.2 | Confident | 94 Ų | 94 | 98 Ų | 98 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 174.7 | -67 | 165.8 | 0 | 0 | 0 | 110.7 | E478 Q479 I480 K485 L486 | E478-I482 HydrophobicContact CG-CD1 4.47Å; E478-I482 VanDerWaalsContact O-CG1 3.31Å; E478-I482 WeakPolarHBondContact O-CG1 3.49Å; E478-I482 PolarHBondContact O-N 3Å; Q479-I482 PolarHBondContact O-N 2.9Å; I480-I482 PolarHBondContact O-N 2.9Å; I482-K485 PolarHBondContact O-N 2.99Å; I482-L486 HydrophobicContact CG2-CD1 4.06Å; I482-L486 WeakPolarHBondContact O-CG 3.46Å; I482-L486 PolarHBondContact O-N 3.39Å |
| 483 | K | 84.4 | Confident | 83.2 | Confident | 136 Ų | 136 | 97.4 Ų | 97.4 | 59% | 0.591 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 176.7 | -78.2 | 177.5 | -178.5 | 173.1 | 0 | 112.1 | Q479 I480 L486 L487 | Q479-K483 WeakPolarHBondContact O-CB 3.39Å; Q479-K483 WeakPolarHBondContact O-CG 3.49Å; Q479-K483 PolarHBondContact O-N 3.21Å; I480-K483 PolarHBondContact O-N 3.21Å; K483-L486 PolarHBondContact O-N 3.32Å; K483-L487 WeakPolarHBondContact O-CB 3.4Å; K483-L487 PolarHBondContact O-N 2.85Å |
| 484 | S | 79.9 | Confident | 83.2 | Confident | 64 Ų | 64 | 97 Ų | 97 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 176.5 | -64.4 | 0 | 0 | 0 | 0 | 111.8 | I480 N481 L487 E488 | I480-S484 WeakPolarHBondContact O-CB 3.38Å; I480-S484 PolarHBondContact O-N 3.47Å; I480-S484 PolarHBondContact O-OG 2.88Å; I480-S484 VanDerWaalsContact O-OG 3.07Å; N481-S484 PolarHBondContact O-N 2.91Å; S484-L487 WeakPolarHBondContact O-CB 3.29Å; S484-L487 PolarHBondContact O-N 2.84Å; S484-E488 WeakPolarHBondContact O-CB 3.44Å; S484-E488 PolarHBondContact O-N 3.42Å |
| 485 | K | 84.8 | Confident | 83.2 | Confident | 133 Ų | 133 | 98.9 Ų | 98.9 | 58% | 0.578 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.3 | -37 | 175.4 | -72.1 | -177.7 | 180 | -178.9 | 0 | 113.1 | N481 I482 K489 | N481-K485 WeakPolarHBondContact O-CG 3.39Å; N481-K485 PolarHBondContact O-N 3.2Å; I482-K485 PolarHBondContact O-N 2.99Å; K485-K489 WeakPolarHBondContact O-CB 3.24Å; K485-K489 PolarHBondContact O-N 3.28Å; K485-K489 VanDerWaalsContact O-N 3.07Å |
| 486 | L | 80.6 | Confident | 83.3 | Confident | 109 Ų | 109 | 99.8 Ų | 99.8 | 57% | 0.571 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.6 | -38.5 | 174 | -74.9 | 170.8 | 0 | 0 | 0 | 111.6 | I482 K483 K489 S490 | I482-L486 HydrophobicContact CG2-CD1 4.06Å; I482-L486 WeakPolarHBondContact O-CG 3.46Å; I482-L486 PolarHBondContact O-N 3.39Å; K483-L486 PolarHBondContact O-N 3.32Å; L486-K489 PolarHBondContact O-N 2.94Å; L486-S490 PolarHBondContact O-N 2.92Å; L486-S490 PolarHBondContact O-OG 2.92Å |
| 487 | L | 83.4 | Confident | 83.4 | Confident | 96 Ų | 96 | 104.3 Ų | 104.3 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -51.3 | 175.2 | -170.4 | 77.7 | 0 | 0 | 0 | 110.1 | K483 S484 K489 S490 E491 | K483-L487 WeakPolarHBondContact O-CB 3.4Å; K483-L487 PolarHBondContact O-N 2.85Å; S484-L487 WeakPolarHBondContact O-CB 3.29Å; S484-L487 PolarHBondContact O-N 2.84Å; L487-K489 VanDerWaalsContact C-N 3.29Å; L487-K489 PolarHBondContact O-N 3.36Å; L487-S490 WeakPolarHBondContact CA-OG 3.4Å; L487-S490 CarbonylContact O-C 3.46Å; L487-S490 WeakPolarHBondContact O-CA 3.47Å; L487-S490 PolarHBondContact O-N 3.25Å; L487-S490 PolarHBondContact O-OG 3.47Å; L487-E491 HydrophobicContact CG-CG 4.38Å; L487-E491 WeakPolarHBondContact O-CG 3.44Å; L487-E491 PolarHBondContact O-N 3.42Å |
| 488 | E | 86.2 | Confident | 83.4 | Confident | 114 Ų | 114 | 104.9 Ų | 104.9 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.5 | -43.4 | 176.4 | -175.7 | -176.4 | -177.5 | 0 | 0 | 111.6 | S484 S490 E491 N492 | S484-E488 WeakPolarHBondContact O-CB 3.44Å; S484-E488 PolarHBondContact O-N 3.42Å; E488-S490 VanDerWaalsContact C-N 3.35Å; E488-S490 PolarHBondContact O-N 2.91Å; E488-E491 PolarHBondContact O-N 2.89Å; E488-N492 WeakPolarHBondContact O-CB 3.49Å; E488-N492 PolarHBondContact O-N 3.17Å; E488-N492 PolarHBondContact O-ND2 2.92Å; E488-N492 VanDerWaalsContact O-ND2 3.14Å |
| 489 | K | 83.9 | Confident | 83.4 | Confident | 133 Ų | 133 | 104.2 Ų | 104.2 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -39.6 | 174.7 | -171.9 | 178 | 179.8 | -179.8 | 0 | 112.4 | K485 L486 L487 Q493 | K485-K489 WeakPolarHBondContact O-CB 3.24Å; K485-K489 PolarHBondContact O-N 3.28Å; K485-K489 VanDerWaalsContact O-N 3.07Å; L486-K489 PolarHBondContact O-N 2.94Å; L487-K489 VanDerWaalsContact C-N 3.29Å; L487-K489 PolarHBondContact O-N 3.36Å; K489-Q493 WeakPolarHBondContact O-CG 3.33Å; K489-Q493 PolarHBondContact O-N 3.49Å; K489-Q493 VanDerWaalsContact O-N 3.09Å |
| 490 | S | 79.2 | Confident | 83.4 | Confident | 43 Ų | 43 | 104.3 Ų | 104.3 | 30% | 0.301 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.6 | -36.5 | 177.6 | 69.7 | 0 | 0 | 0 | 0 | 112.7 | L486 L487 E488 Q493 I494 | L486-S490 PolarHBondContact O-N 2.92Å; L486-S490 PolarHBondContact O-OG 2.92Å; L487-S490 WeakPolarHBondContact CA-OG 3.4Å; L487-S490 CarbonylContact O-C 3.46Å; L487-S490 WeakPolarHBondContact O-CA 3.47Å; L487-S490 PolarHBondContact O-N 3.25Å; L487-S490 PolarHBondContact O-OG 3.47Å; E488-S490 VanDerWaalsContact C-N 3.35Å; E488-S490 PolarHBondContact O-N 2.91Å; S490-Q493 PolarHBondContact O-N 2.98Å; S490-I494 VanDerWaalsContact O-CG1 3.28Å; S490-I494 WeakPolarHBondContact O-CG1 3.27Å; S490-I494 PolarHBondContact O-N 3.24Å |
| 491 | E | 84.3 | Confident | 83.3 | Confident | 106 Ų | 106 | 105.1 Ų | 105.1 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 174.3 | -73.4 | 173.5 | 162.6 | 0 | 0 | 110.4 | L487 E488 Q493 I494 E495 | L487-E491 HydrophobicContact CG-CG 4.38Å; L487-E491 WeakPolarHBondContact O-CG 3.44Å; L487-E491 PolarHBondContact O-N 3.42Å; E488-E491 PolarHBondContact O-N 2.89Å; E491-Q493 VanDerWaalsContact C-N 3.29Å; E491-Q493 PolarHBondContact O-N 3.5Å; E491-I494 PolarHBondContact O-N 2.97Å; E491-I494 VanDerWaalsContact O-N 3.12Å; E491-E495 PolarHBondContact O-N 3.37Å |
| 492 | N | 85.8 | Confident | 83.2 | Confident | 79 Ų | 79 | 105.7 Ų | 105.7 | 42% | 0.422 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.7 | -37.4 | 173.7 | -72.4 | -29.5 | 0 | 0 | 0 | 112.5 | E488 Q496 | E488-N492 WeakPolarHBondContact O-CB 3.49Å; E488-N492 PolarHBondContact O-N 3.17Å; E488-N492 PolarHBondContact O-ND2 2.92Å; E488-N492 VanDerWaalsContact O-ND2 3.14Å; N492-Q496 WeakPolarHBondContact O-CG 3.34Å; N492-Q496 PolarHBondContact O-N 2.92Å |
| 493 | Q | 83.7 | Confident | 83.1 | Confident | 90 Ų | 90 | 104.6 Ų | 104.6 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 174.2 | -79.1 | -178.9 | -26.4 | 0 | 0 | 112.2 | K489 S490 E491 E495 Q496 Y497 | K489-Q493 WeakPolarHBondContact O-CG 3.33Å; K489-Q493 PolarHBondContact O-N 3.49Å; K489-Q493 VanDerWaalsContact O-N 3.09Å; S490-Q493 PolarHBondContact O-N 2.98Å; E491-Q493 VanDerWaalsContact C-N 3.29Å; E491-Q493 PolarHBondContact O-N 3.5Å; Q493-E495 VanDerWaalsContact C-N 3.32Å; Q493-Q496 PolarHBondContact O-N 3.37Å; Q493-Y497 HydrophobicContact CB-CE2 4.42Å; Q493-Y497 WeakPolarHBondContact O-CD2 3.38Å; Q493-Y497 PolarHBondContact O-N 2.9Å |
| 494 | I | 82.1 | Confident | 83 | Confident | 95 Ų | 95 | 104 Ų | 104 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 175.2 | -71 | 165.2 | 0 | 0 | 0 | 110.3 | S490 E491 Y497 Q498 | S490-I494 VanDerWaalsContact O-CG1 3.28Å; S490-I494 WeakPolarHBondContact O-CG1 3.27Å; S490-I494 PolarHBondContact O-N 3.24Å; E491-I494 PolarHBondContact O-N 2.97Å; E491-I494 VanDerWaalsContact O-N 3.12Å; I494-Y497 PolarHBondContact O-N 3.44Å; I494-Q498 HydrophobicContact CG2-CG 4.47Å; I494-Q498 WeakPolarHBondContact O-CB 3.45Å; I494-Q498 WeakPolarHBondContact O-CG 3.5Å; I494-Q498 PolarHBondContact O-N 3.4Å |
| 495 | E | 85.3 | Confident | 83 | Confident | 114 Ų | 114 | 106.7 Ų | 106.7 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 177.1 | -167.9 | 172.1 | -159.6 | 0 | 0 | 111.4 | E491 Q493 Q498 L499 | E491-E495 PolarHBondContact O-N 3.37Å; Q493-E495 VanDerWaalsContact C-N 3.32Å; E495-Q498 PolarHBondContact O-N 3.04Å; E495-L499 WeakPolarHBondContact O-CG 3.35Å; E495-L499 PolarHBondContact O-N 3.34Å |
| 496 | Q | 83.2 | Confident | 82.8 | Confident | 124 Ų | 124 | 104.1 Ų | 104.1 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.4 | -47.2 | 170.6 | -80.6 | -175.5 | -7.6 | 0 | 0 | 112.2 | N492 Q493 Q498 L499 E500 | N492-Q496 WeakPolarHBondContact O-CG 3.34Å; N492-Q496 PolarHBondContact O-N 2.92Å; Q493-Q496 PolarHBondContact O-N 3.37Å; Q496-Q498 VanDerWaalsContact C-N 3.29Å; Q496-Q498 PolarHBondContact O-N 3.3Å; Q496-L499 PolarHBondContact O-N 2.88Å; Q496-E500 PolarHBondContact O-N 3.37Å |
| 497 | Y | 83 | Confident | 83 | Confident | 141 Ų | 141 | 102.6 Ų | 102.6 | 55% | 0.553 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.3 | -31.7 | 177.1 | -70.4 | -45.9 | 0 | 0 | 0 | 112.9 | Q493 I494 L501 | Q493-Y497 HydrophobicContact CB-CE2 4.42Å; Q493-Y497 WeakPolarHBondContact O-CD2 3.38Å; Q493-Y497 PolarHBondContact O-N 2.9Å; I494-Y497 PolarHBondContact O-N 3.44Å; Y497-L501 VanDerWaalsContact O-CB 3.28Å; Y497-L501 WeakPolarHBondContact O-CB 3.39Å; Y497-L501 VanDerWaalsContact O-CG 3.29Å; Y497-L501 WeakPolarHBondContact O-CG 3.4Å; Y497-L501 PolarHBondContact O-N 3.49Å |
| 498 | Q | 83.9 | Confident | 82.9 | Confident | 109 Ų | 109 | 104.1 Ų | 104.1 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.6 | -41.8 | 172.6 | -81.1 | 173.8 | -18.2 | 0 | 0 | 111.7 | I494 E495 Q496 L501 N502 | I494-Q498 HydrophobicContact CG2-CG 4.47Å; I494-Q498 WeakPolarHBondContact O-CB 3.45Å; I494-Q498 WeakPolarHBondContact O-CG 3.5Å; I494-Q498 PolarHBondContact O-N 3.4Å; E495-Q498 PolarHBondContact O-N 3.04Å; Q496-Q498 VanDerWaalsContact C-N 3.29Å; Q496-Q498 PolarHBondContact O-N 3.3Å; Q498-L501 PolarHBondContact O-N 3.12Å; Q498-N502 VanDerWaalsContact O-CB 3.3Å; Q498-N502 WeakPolarHBondContact O-CB 3.33Å; Q498-N502 PolarHBondContact O-N 2.94Å; Q498-N502 PolarHBondContact O-ND2 3.47Å |
| 499 | L | 81.7 | Confident | 82.8 | Confident | 113 Ų | 113 | 101.8 Ų | 101.8 | 59% | 0.592 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -44.1 | 173.4 | -72.4 | 170.3 | 0 | 0 | 0 | 111.5 | E495 Q496 N502 S503 | E495-L499 WeakPolarHBondContact O-CG 3.35Å; E495-L499 PolarHBondContact O-N 3.34Å; Q496-L499 PolarHBondContact O-N 2.88Å; L499-N502 PolarHBondContact O-N 3.12Å; L499-S503 WeakPolarHBondContact O-CB 3.3Å; L499-S503 PolarHBondContact O-N 3.08Å; L499-S503 PolarHBondContact O-OG 3.21Å |
| 500 | E | 84.7 | Confident | 82.7 | Confident | 111 Ų | 111 | 99.8 Ų | 99.8 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -47.5 | 173.6 | -76.5 | -178 | -176.1 | 0 | 0 | 111.3 | Q496 N502 S503 L504 | Q496-E500 PolarHBondContact O-N 3.37Å; E500-N502 VanDerWaalsContact C-N 3.34Å; E500-N502 PolarHBondContact O-N 2.95Å; E500-S503 WeakPolarHBondContact CA-OG 3.26Å; E500-S503 PolarHBondContact O-N 3.19Å; E500-S503 PolarHBondContact O-OG 3.44Å; E500-L504 WeakPolarHBondContact O-CB 3.5Å; E500-L504 PolarHBondContact O-N 3.45Å |
| 501 | L | 80.4 | Confident | 82.8 | Confident | 117 Ų | 117 | 104.2 Ų | 104.2 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.6 | -41.3 | 175.8 | -81.7 | 170.4 | 0 | 0 | 0 | 112.4 | Y497 Q498 L504 H505 | Y497-L501 VanDerWaalsContact O-CB 3.28Å; Y497-L501 WeakPolarHBondContact O-CB 3.39Å; Y497-L501 VanDerWaalsContact O-CG 3.29Å; Y497-L501 WeakPolarHBondContact O-CG 3.4Å; Y497-L501 PolarHBondContact O-N 3.49Å; Q498-L501 PolarHBondContact O-N 3.12Å; L501-L504 PolarHBondContact O-N 2.86Å; L501-H505 WeakPolarHBondContact O-CB 3.48Å; L501-H505 PolarHBondContact O-N 3.42Å |
| 502 | N | 83.6 | Confident | 82.6 | Confident | 99 Ų | 99 | 102.6 Ų | 102.6 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 177.7 | -74.1 | -21.3 | 0 | 0 | 0 | 111.6 | Q498 L499 E500 H505 T506 | Q498-N502 VanDerWaalsContact O-CB 3.3Å; Q498-N502 WeakPolarHBondContact O-CB 3.33Å; Q498-N502 PolarHBondContact O-N 2.94Å; Q498-N502 PolarHBondContact O-ND2 3.47Å; L499-N502 PolarHBondContact O-N 3.12Å; E500-N502 VanDerWaalsContact C-N 3.34Å; E500-N502 PolarHBondContact O-N 2.95Å; N502-H505 PolarHBondContact O-N 3.01Å; N502-T506 WeakPolarHBondContact O-CB 3.38Å; N502-T506 PolarHBondContact O-N 3.01Å; N502-T506 PolarHBondContact O-OG1 3.47Å |
| 503 | S | 81.7 | Confident | 82.4 | Confident | 70 Ų | 70 | 105.1 Ų | 105.1 | 49% | 0.49 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 174.8 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | L499 E500 H505 T506 S507 | L499-S503 WeakPolarHBondContact O-CB 3.3Å; L499-S503 PolarHBondContact O-N 3.08Å; L499-S503 PolarHBondContact O-OG 3.21Å; E500-S503 WeakPolarHBondContact CA-OG 3.26Å; E500-S503 PolarHBondContact O-N 3.19Å; E500-S503 PolarHBondContact O-OG 3.44Å; S503-H505 VanDerWaalsContact C-N 3.33Å; S503-T506 PolarHBondContact O-N 2.92Å; S503-S507 WeakPolarHBondContact O-CB 3.42Å; S503-S507 PolarHBondContact O-N 3.33Å |
| 504 | L | 81.5 | Confident | 82.2 | Confident | 125 Ų | 125 | 103.9 Ų | 103.9 | 65% | 0.654 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.4 | -38.3 | 174 | -130.6 | 104.7 | 0 | 0 | 0 | 111.4 | E500 L501 S507 K508 | E500-L504 WeakPolarHBondContact O-CB 3.5Å; E500-L504 PolarHBondContact O-N 3.45Å; L501-L504 PolarHBondContact O-N 2.86Å; L504-S507 PolarHBondContact O-N 3.08Å; L504-K508 VanDerWaalsContact O-CB 3.24Å; L504-K508 WeakPolarHBondContact O-CB 3.48Å; L504-K508 PolarHBondContact O-N 3.38Å |
| 505 | H | 80 | Confident | 81.8 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.1 | -45.1 | 176.9 | -165.5 | 53.2 | 0 | 0 | 0 | 110.8 | L501 N502 S503 K508 V509 | L501-H505 WeakPolarHBondContact O-CB 3.48Å; L501-H505 PolarHBondContact O-N 3.42Å; N502-H505 PolarHBondContact O-N 3.01Å; S503-H505 VanDerWaalsContact C-N 3.33Å; H505-K508 PolarHBondContact O-N 3.33Å; H505-V509 WeakPolarHBondContact O-CB 3.49Å; H505-V509 VanDerWaalsContact O-CG2 3.28Å; H505-V509 WeakPolarHBondContact O-CG2 3.37Å; H505-V509 PolarHBondContact O-N 3.39Å |
| 506 | T | 81.5 | Confident | 81.5 | Confident | 80 Ų | 80 | 102 Ų | 102 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 174.8 | -52.2 | 0 | 0 | 0 | 0 | 111 | N502 S503 K508 V509 N510 | N502-T506 WeakPolarHBondContact O-CB 3.38Å; N502-T506 PolarHBondContact O-N 3.01Å; N502-T506 PolarHBondContact O-OG1 3.47Å; S503-T506 PolarHBondContact O-N 2.92Å; T506-K508 PolarHBondContact O-N 3.37Å; T506-V509 PolarHBondContact O-N 3.2Å; T506-N510 WeakPolarHBondContact O-CB 3.38Å; T506-N510 PolarHBondContact O-N 3.01Å; T506-N510 PolarHBondContact O-OD1 3.32Å |
| 507 | S | 84.2 | Confident | 81.4 | Confident | 77 Ų | 77 | 100.4 Ų | 100.4 | 54% | 0.538 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 175.3 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | S503 L504 N510 F511 | S503-S507 WeakPolarHBondContact O-CB 3.42Å; S503-S507 PolarHBondContact O-N 3.33Å; L504-S507 PolarHBondContact O-N 3.08Å; S507-N510 PolarHBondContact O-N 3.32Å; S507-F511 WeakPolarHBondContact O-CB 3.41Å; S507-F511 PolarHBondContact O-N 2.91Å |
| 508 | K | 81.7 | Confident | 81.2 | Confident | 128 Ų | 128 | 99.2 Ų | 99.2 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66 | -40.6 | 176.4 | -178.1 | 179.7 | 178.4 | -179.4 | 0 | 112.2 | L504 H505 T506 F511 N512 | L504-K508 VanDerWaalsContact O-CB 3.24Å; L504-K508 WeakPolarHBondContact O-CB 3.48Å; L504-K508 PolarHBondContact O-N 3.38Å; H505-K508 PolarHBondContact O-N 3.33Å; T506-K508 PolarHBondContact O-N 3.37Å; K508-F511 PolarHBondContact O-N 2.9Å; K508-N512 VanDerWaalsContact O-CB 3.23Å; K508-N512 WeakPolarHBondContact O-CB 3.27Å; K508-N512 VanDerWaalsContact O-CG 3.23Å; K508-N512 PolarHBondContact O-N 2.84Å |
| 509 | V | 83.7 | Confident | 81 | Confident | 65 Ų | 65 | 99.2 Ų | 99.2 | 39% | 0.394 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -49 | 175.8 | 168.9 | 0 | 0 | 0 | 0 | 109.5 | H505 T506 F511 N512 E513 | H505-V509 WeakPolarHBondContact O-CB 3.49Å; H505-V509 VanDerWaalsContact O-CG2 3.28Å; H505-V509 WeakPolarHBondContact O-CG2 3.37Å; H505-V509 PolarHBondContact O-N 3.39Å; T506-V509 PolarHBondContact O-N 3.2Å; V509-F511 VanDerWaalsContact C-N 3.34Å; V509-F511 PolarHBondContact O-N 2.92Å; V509-N512 PolarHBondContact O-N 3.27Å; V509-N512 VanDerWaalsContact O-N 3.17Å; V509-E513 WeakPolarHBondContact O-CB 3.48Å; V509-E513 PolarHBondContact O-N 3.28Å |
| 510 | N | 81.7 | Confident | 81 | Confident | 91 Ų | 91 | 100.1 Ų | 100.1 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -41.7 | 177.4 | -65.3 | -7.2 | 0 | 0 | 0 | 112.1 | T506 S507 E513 S514 | T506-N510 WeakPolarHBondContact O-CB 3.38Å; T506-N510 PolarHBondContact O-N 3.01Å; T506-N510 PolarHBondContact O-OD1 3.32Å; S507-N510 PolarHBondContact O-N 3.32Å; N510-E513 PolarHBondContact O-N 3.39Å; N510-S514 WeakPolarHBondContact O-CB 3.27Å; N510-S514 PolarHBondContact O-N 2.89Å |
| 511 | F | 80.1 | Confident | 80.9 | Confident | 136 Ų | 136 | 98.6 Ų | 98.6 | 60% | 0.596 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | 175.8 | -173.9 | -95 | 0 | 0 | 0 | 112 | S507 K508 V509 E513 S514 T515 | S507-F511 WeakPolarHBondContact O-CB 3.41Å; S507-F511 PolarHBondContact O-N 2.91Å; K508-F511 PolarHBondContact O-N 2.9Å; V509-F511 VanDerWaalsContact C-N 3.34Å; V509-F511 PolarHBondContact O-N 2.92Å; F511-E513 VanDerWaalsContact C-N 3.33Å; F511-S514 PolarHBondContact O-N 3.45Å; F511-T515 HydrophobicContact CD1-CG2 4Å; F511-T515 HydrophobicContact CE1-CG2 3.59Å; F511-T515 HydrophobicContact CE2-CG2 4.32Å; F511-T515 HydrophobicContact CZ-CG2 3.76Å; F511-T515 WeakPolarHBondContact O-CB 3.49Å; F511-T515 VanDerWaalsContact O-CG2 3.3Å; F511-T515 WeakPolarHBondContact O-CG2 3.49Å; F511-T515 PolarHBondContact O-N 2.81Å; F511-T515 PolarHBondContact O-OG1 3.27Å |
| 512 | N | 81.9 | Confident | 80.8 | Confident | 72 Ų | 72 | 97.9 Ų | 97.9 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.4 | -37.8 | 175 | -81.3 | -5.9 | 0 | 0 | 0 | 112 | K508 V509 T515 M516 | K508-N512 VanDerWaalsContact O-CB 3.23Å; K508-N512 WeakPolarHBondContact O-CB 3.27Å; K508-N512 VanDerWaalsContact O-CG 3.23Å; K508-N512 PolarHBondContact O-N 2.84Å; V509-N512 PolarHBondContact O-N 3.27Å; V509-N512 VanDerWaalsContact O-N 3.17Å; N512-T515 VanDerWaalsContact CA-OG1 3.28Å; N512-T515 WeakPolarHBondContact CA-OG1 3.4Å; N512-T515 PolarHBondContact O-OG1 3.04Å; N512-T515 VanDerWaalsContact O-OG1 3.09Å; N512-M516 VanDerWaalsContact O-CB 3.28Å; N512-M516 WeakPolarHBondContact O-CB 3.45Å; N512-M516 PolarHBondContact O-N 3.45Å |
| 513 | E | 81.4 | Confident | 80.6 | Confident | 131 Ų | 131 | 96.6 Ų | 96.6 | 61% | 0.612 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.2 | -44.1 | 178.6 | -159.8 | 161.8 | -145.9 | 0 | 0 | 110.6 | V509 N510 F511 M516 E517 | V509-E513 WeakPolarHBondContact O-CB 3.48Å; V509-E513 PolarHBondContact O-N 3.28Å; N510-E513 PolarHBondContact O-N 3.39Å; F511-E513 VanDerWaalsContact C-N 3.33Å; E513-M516 PolarHBondContact O-N 2.96Å; E513-E517 PolarHBondContact O-N 3.36Å |
| 514 | S | 78.9 | Confident | 80.6 | Confident | 64 Ų | 64 | 99.7 Ų | 99.7 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 172.1 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | N510 F511 E517 E518 | N510-S514 WeakPolarHBondContact O-CB 3.27Å; N510-S514 PolarHBondContact O-N 2.89Å; F511-S514 PolarHBondContact O-N 3.45Å; S514-E517 PolarHBondContact O-N 3.34Å; S514-E518 WeakPolarHBondContact O-CG 3.5Å; S514-E518 PolarHBondContact O-N 2.92Å |
| 515 | T | 74 | Confident | 80.6 | Confident | 38 Ų | 38 | 99.9 Ų | 99.9 | 23% | 0.233 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -72.2 | -31.2 | 177.9 | 51 | 0 | 0 | 0 | 0 | 112.7 | F511 N512 L519 | F511-T515 HydrophobicContact CD1-CG2 4Å; F511-T515 HydrophobicContact CE1-CG2 3.59Å; F511-T515 HydrophobicContact CE2-CG2 4.32Å; F511-T515 HydrophobicContact CZ-CG2 3.76Å; F511-T515 WeakPolarHBondContact O-CB 3.49Å; F511-T515 VanDerWaalsContact O-CG2 3.3Å; F511-T515 WeakPolarHBondContact O-CG2 3.49Å; F511-T515 PolarHBondContact O-N 2.81Å; F511-T515 PolarHBondContact O-OG1 3.27Å; N512-T515 VanDerWaalsContact CA-OG1 3.28Å; N512-T515 WeakPolarHBondContact CA-OG1 3.4Å; N512-T515 PolarHBondContact O-OG1 3.04Å; N512-T515 VanDerWaalsContact O-OG1 3.09Å; T515-L519 VanDerWaalsContact O-CB 3.31Å; T515-L519 WeakPolarHBondContact O-CB 3.43Å; T515-L519 WeakPolarHBondContact O-CG 3.27Å; T515-L519 PolarHBondContact O-N 3.44Å |
| 516 | M | 78 | Confident | 80.6 | Confident | 133 Ų | 133 | 98.4 Ų | 98.4 | 66% | 0.655 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.2 | -41.7 | 170.6 | -102.2 | -158.6 | -102.2 | 0 | 0 | 111.5 | N512 E513 L519 K520 | N512-M516 VanDerWaalsContact O-CB 3.28Å; N512-M516 WeakPolarHBondContact O-CB 3.45Å; N512-M516 PolarHBondContact O-N 3.45Å; E513-M516 PolarHBondContact O-N 2.96Å; M516-L519 PolarHBondContact O-N 3.48Å; M516-K520 VanDerWaalsContact O-CB 3.24Å; M516-K520 WeakPolarHBondContact O-CB 3.33Å; M516-K520 PolarHBondContact O-N 2.95Å |
| 517 | E | 81.3 | Confident | 80.6 | Confident | 90 Ų | 90 | 98.7 Ų | 98.7 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.4 | -40.1 | 177.7 | -164.5 | 60 | -157 | 0 | 0 | 111 | E513 S514 K520 N521 | E513-E517 PolarHBondContact O-N 3.36Å; S514-E517 PolarHBondContact O-N 3.34Å; E517-K520 PolarHBondContact O-N 3.36Å; E517-K520 IonicContact OE2-NZ 3.81Å; E517-N521 WeakPolarHBondContact O-CB 3.49Å; E517-N521 PolarHBondContact O-N 3.29Å; E517-N521 PolarHBondContact O-ND2 3.17Å |
| 518 | E | 79.6 | Confident | 80.5 | Confident | 115 Ų | 115 | 99.2 Ų | 99.2 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 170 | -78 | -178.9 | 180 | 0 | 0 | 112.2 | S514 K520 N521 L522 | S514-E518 WeakPolarHBondContact O-CG 3.5Å; S514-E518 PolarHBondContact O-N 2.92Å; E518-K520 VanDerWaalsContact C-N 3.3Å; E518-K520 PolarHBondContact O-N 3.44Å; E518-N521 PolarHBondContact O-N 3.45Å; E518-L522 WeakPolarHBondContact O-CB 3.47Å; E518-L522 PolarHBondContact O-N 3.39Å |
| 519 | L | 79.4 | Confident | 80.5 | Confident | 109 Ų | 109 | 98.9 Ų | 98.9 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.9 | -38 | 176.7 | -83 | 172.4 | 0 | 0 | 0 | 112.1 | T515 M516 T523 | T515-L519 VanDerWaalsContact O-CB 3.31Å; T515-L519 WeakPolarHBondContact O-CB 3.43Å; T515-L519 WeakPolarHBondContact O-CG 3.27Å; T515-L519 PolarHBondContact O-N 3.44Å; M516-L519 PolarHBondContact O-N 3.48Å; L519-T523 WeakPolarHBondContact O-CB 3.44Å; L519-T523 PolarHBondContact O-N 3.31Å; L519-T523 PolarHBondContact O-OG1 3.18Å |
| 520 | K | 82.5 | Confident | 80.3 | Confident | 132 Ų | 132 | 101.4 Ų | 101.4 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.5 | -42.1 | 176.8 | -173.9 | -176.3 | 174.8 | -165.4 | 0 | 110.9 | M516 E517 E518 T523 K524 | M516-K520 VanDerWaalsContact O-CB 3.24Å; M516-K520 WeakPolarHBondContact O-CB 3.33Å; M516-K520 PolarHBondContact O-N 2.95Å; E517-K520 PolarHBondContact O-N 3.36Å; E517-K520 IonicContact OE2-NZ 3.81Å; E518-K520 VanDerWaalsContact C-N 3.3Å; E518-K520 PolarHBondContact O-N 3.44Å; K520-T523 PolarHBondContact O-N 2.97Å; K520-K524 WeakPolarHBondContact O-CB 3.4Å; K520-K524 PolarHBondContact O-N 2.96Å |
| 521 | N | 82 | Confident | 80.4 | Confident | 79 Ų | 79 | 102.4 Ų | 102.4 | 42% | 0.422 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -47.9 | 174.4 | -74.4 | -26.7 | 0 | 0 | 0 | 111.8 | E517 E518 T523 K524 E525 | E517-N521 WeakPolarHBondContact O-CB 3.49Å; E517-N521 PolarHBondContact O-N 3.29Å; E517-N521 PolarHBondContact O-ND2 3.17Å; E518-N521 PolarHBondContact O-N 3.45Å; N521-T523 VanDerWaalsContact C-N 3.29Å; N521-T523 PolarHBondContact O-N 2.82Å; N521-K524 WeakPolarHBondContact O-CB 3.3Å; N521-K524 PolarHBondContact O-N 3.36Å; N521-K524 VanDerWaalsContact O-N 3.14Å; N521-E525 WeakPolarHBondContact O-CG 3.3Å; N521-E525 PolarHBondContact O-N 3.47Å |
| 522 | L | 77.2 | Confident | 80.4 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -36.9 | 173.8 | -91.8 | 145.8 | 0 | 0 | 0 | 112.4 | E518 E525 L526 | E518-L522 WeakPolarHBondContact O-CB 3.47Å; E518-L522 PolarHBondContact O-N 3.39Å; L522-E525 PolarHBondContact O-N 3.44Å; L522-L526 WeakPolarHBondContact O-CB 3.41Å; L522-L526 PolarHBondContact O-N 3.08Å |
| 523 | T | 80.3 | Confident | 80.4 | Confident | 71 Ų | 71 | 101.2 Ų | 101.2 | 44% | 0.436 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 176 | -60.7 | 0 | 0 | 0 | 0 | 111 | L519 K520 N521 L526 N527 | L519-T523 WeakPolarHBondContact O-CB 3.44Å; L519-T523 PolarHBondContact O-N 3.31Å; L519-T523 PolarHBondContact O-OG1 3.18Å; K520-T523 PolarHBondContact O-N 2.97Å; N521-T523 VanDerWaalsContact C-N 3.29Å; N521-T523 PolarHBondContact O-N 2.82Å; T523-L526 PolarHBondContact O-N 2.83Å; T523-N527 WeakPolarHBondContact O-CB 3.38Å; T523-N527 PolarHBondContact O-N 3.23Å; T523-N527 PolarHBondContact O-ND2 2.88Å |
| 524 | K | 81.5 | Confident | 80.4 | Confident | 135 Ų | 135 | 98 Ų | 98 | 59% | 0.587 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.2 | -49.2 | 173.7 | -173.2 | -178.2 | 175.7 | -174.3 | 0 | 110.8 | K520 N521 L526 N527 D528 | K520-K524 WeakPolarHBondContact O-CB 3.4Å; K520-K524 PolarHBondContact O-N 2.96Å; N521-K524 WeakPolarHBondContact O-CB 3.3Å; N521-K524 PolarHBondContact O-N 3.36Å; N521-K524 VanDerWaalsContact O-N 3.14Å; K524-L526 VanDerWaalsContact C-N 3.33Å; K524-L526 PolarHBondContact O-N 3.45Å; K524-N527 PolarHBondContact O-N 3.46Å; K524-N527 VanDerWaalsContact O-N 3.15Å; K524-D528 PolarHBondContact O-N 3.2Å |
| 525 | E | 82.2 | Confident | 80.6 | Confident | 130 Ų | 130 | 99.2 Ų | 99.2 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.1 | -42.5 | 175.1 | -73.3 | -177.2 | -177.3 | 0 | 0 | 112.2 | N521 L522 N527 D528 L529 | N521-E525 WeakPolarHBondContact O-CG 3.3Å; N521-E525 PolarHBondContact O-N 3.47Å; L522-E525 PolarHBondContact O-N 3.44Å; E525-N527 VanDerWaalsContact C-N 3.33Å; E525-N527 PolarHBondContact O-N 2.91Å; E525-D528 PolarHBondContact O-N 2.99Å; E525-L529 VanDerWaalsContact O-CB 3.27Å; E525-L529 WeakPolarHBondContact O-CB 3.31Å; E525-L529 PolarHBondContact O-N 2.88Å |
| 526 | L | 79.9 | Confident | 80.9 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 176.5 | -176.9 | 68.4 | 0 | 0 | 0 | 111.7 | L522 T523 K524 K530 | L522-L526 WeakPolarHBondContact O-CB 3.41Å; L522-L526 PolarHBondContact O-N 3.08Å; T523-L526 PolarHBondContact O-N 2.83Å; K524-L526 VanDerWaalsContact C-N 3.33Å; K524-L526 PolarHBondContact O-N 3.45Å; L526-K530 WeakPolarHBondContact O-CB 3.32Å; L526-K530 VanDerWaalsContact O-CG 3.29Å; L526-K530 WeakPolarHBondContact O-CG 3.31Å; L526-K530 PolarHBondContact O-N 3.34Å |
| 527 | N | 82.1 | Confident | 81.2 | Confident | 85 Ų | 85 | 100 Ų | 100 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.6 | -41.2 | 177.1 | -74.6 | -25.8 | 0 | 0 | 0 | 111.7 | T523 K524 E525 L529 K530 L531 | T523-N527 WeakPolarHBondContact O-CB 3.38Å; T523-N527 PolarHBondContact O-N 3.23Å; T523-N527 PolarHBondContact O-ND2 2.88Å; K524-N527 PolarHBondContact O-N 3.46Å; K524-N527 VanDerWaalsContact O-N 3.15Å; E525-N527 VanDerWaalsContact C-N 3.33Å; E525-N527 PolarHBondContact O-N 2.91Å; N527-L529 VanDerWaalsContact C-N 3.33Å; N527-K530 PolarHBondContact O-N 3.48Å; N527-L531 WeakPolarHBondContact O-CB 3.34Å; N527-L531 PolarHBondContact O-N 2.86Å |
| 528 | D | 81.1 | Confident | 81.2 | Confident | 89 Ų | 89 | 102.7 Ų | 102.7 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 174.2 | -69.3 | -20.8 | 0 | 0 | 0 | 111 | K524 E525 L531 T532 | K524-D528 PolarHBondContact O-N 3.2Å; E525-D528 PolarHBondContact O-N 2.99Å; D528-L531 PolarHBondContact O-N 3.29Å; D528-T532 WeakPolarHBondContact O-CG2 3.38Å; D528-T532 PolarHBondContact O-N 3.49Å; D528-T532 PolarHBondContact O-OG1 3.44Å |
| 529 | L | 81.3 | Confident | 81.4 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 63% | 0.628 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68 | -36.9 | 175.3 | -161.4 | 69.9 | 0 | 0 | 0 | 112.1 | E525 N527 T532 H533 | E525-L529 VanDerWaalsContact O-CB 3.27Å; E525-L529 WeakPolarHBondContact O-CB 3.31Å; E525-L529 PolarHBondContact O-N 2.88Å; N527-L529 VanDerWaalsContact C-N 3.33Å; L529-T532 VanDerWaalsContact CA-OG1 3.25Å; L529-T532 WeakPolarHBondContact CA-OG1 3.41Å; L529-T532 PolarHBondContact O-OG1 3.49Å; L529-H533 VanDerWaalsContact O-CB 3.25Å; L529-H533 WeakPolarHBondContact O-CB 3.47Å; L529-H533 PolarHBondContact O-N 3.28Å |
| 530 | K | 80.9 | Confident | 81.6 | Confident | 118 Ų | 118 | 102.5 Ų | 102.5 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 171.8 | -80.2 | 175.4 | -179.2 | 174.6 | 0 | 111.9 | L526 N527 H533 T534 | L526-K530 WeakPolarHBondContact O-CB 3.32Å; L526-K530 VanDerWaalsContact O-CG 3.29Å; L526-K530 WeakPolarHBondContact O-CG 3.31Å; L526-K530 PolarHBondContact O-N 3.34Å; N527-K530 PolarHBondContact O-N 3.48Å; K530-H533 PolarHBondContact O-N 3.38Å; K530-T534 WeakPolarHBondContact O-CB 3.36Å; K530-T534 PolarHBondContact O-N 3.39Å; K530-T534 PolarHBondContact O-OG1 3.42Å |
| 531 | L | 82.4 | Confident | 81.6 | Confident | 113 Ų | 113 | 101.8 Ų | 101.8 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -48.2 | 177.2 | -163.2 | 91.2 | 0 | 0 | 0 | 110.3 | N527 D528 T534 I535 | N527-L531 WeakPolarHBondContact O-CB 3.34Å; N527-L531 PolarHBondContact O-N 2.86Å; D528-L531 PolarHBondContact O-N 3.29Å; L531-T534 PolarHBondContact O-N 2.81Å; L531-I535 HydrophobicContact CD2-CD1 4.39Å; L531-I535 HydrophobicContact CG-CD1 4.39Å; L531-I535 VanDerWaalsContact O-CG1 3.31Å; L531-I535 WeakPolarHBondContact O-CG1 3.43Å; L531-I535 PolarHBondContact O-N 3.43Å |
| 532 | T | 81.3 | Confident | 81.6 | Confident | 67 Ų | 67 | 101.5 Ų | 101.5 | 41% | 0.411 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 176.1 | 51.9 | 0 | 0 | 0 | 0 | 112 | D528 L529 T534 I535 V536 | D528-T532 WeakPolarHBondContact O-CG2 3.38Å; D528-T532 PolarHBondContact O-N 3.49Å; D528-T532 PolarHBondContact O-OG1 3.44Å; L529-T532 VanDerWaalsContact CA-OG1 3.25Å; L529-T532 WeakPolarHBondContact CA-OG1 3.41Å; L529-T532 PolarHBondContact O-OG1 3.49Å; T532-T534 VanDerWaalsContact C-N 3.33Å; T532-T534 PolarHBondContact O-N 3.24Å; T532-I535 PolarHBondContact O-N 2.95Å; T532-V536 WeakPolarHBondContact O-CB 3.5Å; T532-V536 VanDerWaalsContact O-CG2 3.32Å; T532-V536 WeakPolarHBondContact O-CG2 3.49Å; T532-V536 PolarHBondContact O-N 2.92Å |
| 533 | H | 81.1 | Confident | 81.9 | Confident | 116 Ų | 116 | 100.6 Ų | 100.6 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.8 | -44.3 | 172.7 | -176 | 78.6 | 0 | 0 | 0 | 111.8 | L529 K530 I535 V536 Q537 | L529-H533 VanDerWaalsContact O-CB 3.25Å; L529-H533 WeakPolarHBondContact O-CB 3.47Å; L529-H533 PolarHBondContact O-N 3.28Å; K530-H533 PolarHBondContact O-N 3.38Å; H533-I535 VanDerWaalsContact C-N 3.33Å; H533-I535 PolarHBondContact O-N 3.2Å; H533-V536 PolarHBondContact O-N 3.07Å; H533-Q537 WeakPolarHBondContact O-CB 3.46Å; H533-Q537 PolarHBondContact O-N 2.93Å |
| 534 | T | 81 | Confident | 81.9 | Confident | 64 Ų | 64 | 101.5 Ų | 101.5 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 178.4 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | K530 L531 T532 K538 | K530-T534 WeakPolarHBondContact O-CB 3.36Å; K530-T534 PolarHBondContact O-N 3.39Å; K530-T534 PolarHBondContact O-OG1 3.42Å; L531-T534 PolarHBondContact O-N 2.81Å; T532-T534 VanDerWaalsContact C-N 3.33Å; T532-T534 PolarHBondContact O-N 3.24Å; T534-K538 WeakPolarHBondContact O-CB 3.46Å; T534-K538 WeakPolarHBondContact O-CG 3.3Å; T534-K538 PolarHBondContact O-N 3.48Å |
| 535 | I | 83.4 | Confident | 81.9 | Confident | 89 Ų | 89 | 104.1 Ų | 104.1 | 46% | 0.456 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -50.7 | 175 | -68 | 164.8 | 0 | 0 | 0 | 110.3 | L531 T532 H533 Q537 K538 Q539 | L531-I535 HydrophobicContact CD2-CD1 4.39Å; L531-I535 HydrophobicContact CG-CD1 4.39Å; L531-I535 VanDerWaalsContact O-CG1 3.31Å; L531-I535 WeakPolarHBondContact O-CG1 3.43Å; L531-I535 PolarHBondContact O-N 3.43Å; T532-I535 PolarHBondContact O-N 2.95Å; H533-I535 VanDerWaalsContact C-N 3.33Å; H533-I535 PolarHBondContact O-N 3.2Å; I535-Q537 VanDerWaalsContact C-N 3.33Å; I535-Q537 PolarHBondContact O-N 3.49Å; I535-K538 PolarHBondContact O-N 3.4Å; I535-Q539 WeakPolarHBondContact O-CB 3.42Å; I535-Q539 PolarHBondContact O-N 3Å |
| 536 | V | 81.2 | Confident | 81.8 | Confident | 93 Ų | 93 | 102.3 Ų | 102.3 | 56% | 0.564 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.5 | -39.7 | 179.3 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | T532 H533 Q539 L540 | T532-V536 WeakPolarHBondContact O-CB 3.5Å; T532-V536 VanDerWaalsContact O-CG2 3.32Å; T532-V536 WeakPolarHBondContact O-CG2 3.49Å; T532-V536 PolarHBondContact O-N 2.92Å; H533-V536 PolarHBondContact O-N 3.07Å; V536-Q539 WeakPolarHBondContact O-CB 3.35Å; V536-Q539 PolarHBondContact O-N 3.04Å; V536-L540 WeakPolarHBondContact O-CB 3.44Å; V536-L540 PolarHBondContact O-N 3.48Å |
| 537 | Q | 83.3 | Confident | 81.9 | Confident | 94 Ų | 94 | 101.6 Ų | 101.6 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 178.4 | -168 | 178.1 | 23.9 | 0 | 0 | 111.7 | H533 I535 L540 H541 | H533-Q537 WeakPolarHBondContact O-CB 3.46Å; H533-Q537 PolarHBondContact O-N 2.93Å; I535-Q537 VanDerWaalsContact C-N 3.33Å; I535-Q537 PolarHBondContact O-N 3.49Å; Q537-L540 PolarHBondContact O-N 2.93Å; Q537-H541 PolarHBondContact O-N 2.97Å; Q537-H541 PolarHBondContact O-ND1 3.4Å; Q537-H541 VanDerWaalsContact O-ND1 3.08Å |
| 538 | K | 82.5 | Confident | 81.9 | Confident | 146 Ų | 146 | 101.5 Ų | 101.5 | 64% | 0.635 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.9 | -47.7 | 170.1 | -77 | 178.4 | 179.9 | 178.7 | 0 | 110.6 | T534 I535 L540 H541 T542 | T534-K538 WeakPolarHBondContact O-CB 3.46Å; T534-K538 WeakPolarHBondContact O-CG 3.3Å; T534-K538 PolarHBondContact O-N 3.48Å; I535-K538 PolarHBondContact O-N 3.4Å; K538-L540 VanDerWaalsContact C-N 3.33Å; K538-L540 PolarHBondContact O-N 2.91Å; K538-H541 WeakPolarHBondContact O-CB 3.47Å; K538-H541 PolarHBondContact O-N 2.8Å; K538-H541 VanDerWaalsContact O-N 3.13Å; K538-T542 PolarHBondContact O-N 3.35Å; K538-T542 PolarHBondContact O-OG1 3.1Å |
| 539 | Q | 83.8 | Confident | 82 | Confident | 117 Ų | 117 | 104.8 Ų | 104.8 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.3 | -46.9 | 177.4 | -149.9 | 91.5 | -1.2 | 0 | 0 | 111.3 | I535 V536 H541 T542 N543 | I535-Q539 WeakPolarHBondContact O-CB 3.42Å; I535-Q539 PolarHBondContact O-N 3Å; V536-Q539 WeakPolarHBondContact O-CB 3.35Å; V536-Q539 PolarHBondContact O-N 3.04Å; Q539-H541 PolarHBondContact O-N 2.94Å; Q539-T542 WeakPolarHBondContact CA-OG1 3.35Å; Q539-T542 PolarHBondContact O-N 2.98Å; Q539-T542 PolarHBondContact O-OG1 3.47Å; Q539-N543 PolarHBondContact O-N 3.39Å |
| 540 | L | 83.4 | Confident | 82 | Confident | 104 Ų | 104 | 104.3 Ų | 104.3 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 176.5 | -170.8 | 88.7 | 0 | 0 | 0 | 111.3 | V536 Q537 K538 N543 Q544 | V536-L540 WeakPolarHBondContact O-CB 3.44Å; V536-L540 PolarHBondContact O-N 3.48Å; Q537-L540 PolarHBondContact O-N 2.93Å; K538-L540 VanDerWaalsContact C-N 3.33Å; K538-L540 PolarHBondContact O-N 2.91Å; L540-N543 PolarHBondContact O-N 3.18Å; L540-Q544 VanDerWaalsContact O-CB 3.32Å; L540-Q544 WeakPolarHBondContact O-CB 3.44Å; L540-Q544 PolarHBondContact O-N 3.49Å |
| 541 | H | 81.6 | Confident | 82 | Confident | 117 Ų | 117 | 104.5 Ų | 104.5 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 176.9 | -81.6 | 42.4 | 0 | 0 | 0 | 112.1 | Q537 K538 Q539 Q544 R545 | Q537-H541 PolarHBondContact O-N 2.97Å; Q537-H541 PolarHBondContact O-ND1 3.4Å; Q537-H541 VanDerWaalsContact O-ND1 3.08Å; K538-H541 WeakPolarHBondContact O-CB 3.47Å; K538-H541 PolarHBondContact O-N 2.8Å; K538-H541 VanDerWaalsContact O-N 3.13Å; Q539-H541 PolarHBondContact O-N 2.94Å; H541-Q544 PolarHBondContact O-N 2.65Å; H541-R545 PolarHBondContact O-N 3.39Å |
| 542 | T | 82.5 | Confident | 81.9 | Confident | 72 Ų | 72 | 105 Ų | 105 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 171.7 | 13.1 | 0 | 0 | 0 | 0 | 111.8 | K538 Q539 Q544 R545 I546 | K538-T542 PolarHBondContact O-N 3.35Å; K538-T542 PolarHBondContact O-OG1 3.1Å; Q539-T542 WeakPolarHBondContact CA-OG1 3.35Å; Q539-T542 PolarHBondContact O-N 2.98Å; Q539-T542 PolarHBondContact O-OG1 3.47Å; T542-Q544 VanDerWaalsContact C-N 3.32Å; T542-Q544 PolarHBondContact O-N 2.9Å; T542-R545 WeakPolarHBondContact O-CB 3.35Å; T542-R545 PolarHBondContact O-N 3.36Å; T542-I546 WeakPolarHBondContact O-CG1 3.43Å; T542-I546 PolarHBondContact O-N 2.9Å |
| 543 | N | 82.5 | Confident | 81.8 | Confident | 84 Ų | 84 | 106.1 Ų | 106.1 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | 177.8 | -72.9 | -10.8 | 0 | 0 | 0 | 111.5 | Q539 L540 R545 I546 I547 | Q539-N543 PolarHBondContact O-N 3.39Å; L540-N543 PolarHBondContact O-N 3.18Å; N543-R545 PolarHBondContact O-N 3.34Å; N543-I546 PolarHBondContact O-N 2.87Å; N543-I547 WeakPolarHBondContact O-CB 3.43Å; N543-I547 VanDerWaalsContact O-CG1 3.29Å; N543-I547 WeakPolarHBondContact O-CG1 3.28Å; N543-I547 PolarHBondContact O-N 3.49Å |
| 544 | Q | 82 | Confident | 81.8 | Confident | 90 Ų | 90 | 107 Ų | 107 | 42% | 0.421 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 176 | -163.5 | 66.7 | 26.7 | 0 | 0 | 111.6 | L540 H541 T542 I546 I547 N548 | L540-Q544 VanDerWaalsContact O-CB 3.32Å; L540-Q544 WeakPolarHBondContact O-CB 3.44Å; L540-Q544 PolarHBondContact O-N 3.49Å; H541-Q544 PolarHBondContact O-N 2.65Å; T542-Q544 VanDerWaalsContact C-N 3.32Å; T542-Q544 PolarHBondContact O-N 2.9Å; Q544-I546 VanDerWaalsContact C-N 3.35Å; Q544-I547 PolarHBondContact O-N 3.2Å; Q544-N548 WeakPolarHBondContact O-CB 3.48Å; Q544-N548 VanDerWaalsContact O-CG 3.27Å; Q544-N548 PolarHBondContact O-N 2.96Å |
| 545 | R | 80.1 | Confident | 81.8 | Confident | 191 Ų | 191 | 108.3 Ų | 108.3 | 72% | 0.721 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 172.1 | -83.2 | -179.2 | 167.9 | 171.9 | -2.2 | 111.8 | H541 T542 N543 N548 K549 | H541-R545 PolarHBondContact O-N 3.39Å; T542-R545 WeakPolarHBondContact O-CB 3.35Å; T542-R545 PolarHBondContact O-N 3.36Å; N543-R545 PolarHBondContact O-N 3.34Å; R545-N548 PolarHBondContact O-N 2.9Å; R545-K549 WeakPolarHBondContact O-CG 3.28Å; R545-K549 PolarHBondContact O-N 2.89Å |
| 546 | I | 81.3 | Confident | 81.7 | Confident | 91 Ų | 91 | 107.4 Ų | 107.4 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | 176.5 | -67.1 | 165.7 | 0 | 0 | 0 | 110.4 | T542 N543 Q544 N548 K549 L550 | T542-I546 WeakPolarHBondContact O-CG1 3.43Å; T542-I546 PolarHBondContact O-N 2.9Å; N543-I546 PolarHBondContact O-N 2.87Å; Q544-I546 VanDerWaalsContact C-N 3.35Å; I546-N548 VanDerWaalsContact C-N 3.34Å; I546-N548 PolarHBondContact O-N 3.49Å; I546-K549 WeakPolarHBondContact O-CB 3.46Å; I546-K549 PolarHBondContact O-N 2.81Å; I546-L550 HydrophobicContact CG2-CD1 3.9Å; I546-L550 HydrophobicContact CG2-CG 4.32Å; I546-L550 WeakPolarHBondContact O-CB 3.48Å; I546-L550 WeakPolarHBondContact O-CG 3.44Å; I546-L550 PolarHBondContact O-N 3.37Å |
| 547 | I | 82.2 | Confident | 81.5 | Confident | 74 Ų | 74 | 105.6 Ų | 105.6 | 38% | 0.379 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 176.5 | -71.6 | 166.4 | 0 | 0 | 0 | 111.1 | N543 Q544 L550 K551 | N543-I547 WeakPolarHBondContact O-CB 3.43Å; N543-I547 VanDerWaalsContact O-CG1 3.29Å; N543-I547 WeakPolarHBondContact O-CG1 3.28Å; N543-I547 PolarHBondContact O-N 3.49Å; Q544-I547 PolarHBondContact O-N 3.2Å; I547-L550 PolarHBondContact O-N 3.02Å; I547-K551 HydrophobicContact CG2-CD 4.38Å; I547-K551 WeakPolarHBondContact O-CB 3.4Å; I547-K551 PolarHBondContact O-N 2.94Å |
| 548 | N | 81 | Confident | 81.4 | Confident | 83 Ų | 83 | 104.5 Ų | 104.5 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 177.8 | -74.7 | -11.8 | 0 | 0 | 0 | 111.5 | Q544 R545 I546 K551 L552 | Q544-N548 WeakPolarHBondContact O-CB 3.48Å; Q544-N548 VanDerWaalsContact O-CG 3.27Å; Q544-N548 PolarHBondContact O-N 2.96Å; R545-N548 PolarHBondContact O-N 2.9Å; I546-N548 VanDerWaalsContact C-N 3.34Å; I546-N548 PolarHBondContact O-N 3.49Å; N548-K551 PolarHBondContact O-N 2.89Å; N548-L552 PolarHBondContact O-N 3.23Å |
| 549 | K | 82.9 | Confident | 81.3 | Confident | 157 Ų | 157 | 102 Ų | 102 | 68% | 0.683 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.5 | -50.5 | 171.6 | -78.2 | -176.3 | 176.9 | -175.2 | 0 | 111 | R545 I546 K551 L552 T553 | R545-K549 WeakPolarHBondContact O-CG 3.28Å; R545-K549 PolarHBondContact O-N 2.89Å; I546-K549 WeakPolarHBondContact O-CB 3.46Å; I546-K549 PolarHBondContact O-N 2.81Å; K549-K551 VanDerWaalsContact C-N 3.33Å; K549-K551 PolarHBondContact O-N 3.28Å; K549-L552 WeakPolarHBondContact O-CB 3.38Å; K549-L552 PolarHBondContact O-N 2.91Å; K549-L552 VanDerWaalsContact O-N 3.08Å; K549-T553 PolarHBondContact O-N 3.34Å; K549-T553 PolarHBondContact O-OG1 2.99Å |
| 550 | L | 80.8 | Confident | 81 | Confident | 110 Ų | 110 | 100.2 Ų | 100.2 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61 | -38.4 | 179.2 | -71.3 | 172.6 | 0 | 0 | 0 | 112.7 | I546 I547 T553 K554 | I546-L550 HydrophobicContact CG2-CD1 3.9Å; I546-L550 HydrophobicContact CG2-CG 4.32Å; I546-L550 WeakPolarHBondContact O-CB 3.48Å; I546-L550 WeakPolarHBondContact O-CG 3.44Å; I546-L550 PolarHBondContact O-N 3.37Å; I547-L550 PolarHBondContact O-N 3.02Å; L550-T553 PolarHBondContact O-N 3.26Å; L550-K554 VanDerWaalsContact O-CB 3.26Å; L550-K554 WeakPolarHBondContact O-CB 3.44Å; L550-K554 PolarHBondContact O-N 2.98Å |
| 551 | K | 81.5 | Confident | 80.7 | Confident | 123 Ų | 123 | 99.7 Ų | 99.7 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 172.7 | -84.5 | -177.1 | 176.2 | 179.8 | 0 | 111.6 | I547 N548 K549 K554 N555 | I547-K551 HydrophobicContact CG2-CD 4.38Å; I547-K551 WeakPolarHBondContact O-CB 3.4Å; I547-K551 PolarHBondContact O-N 2.94Å; N548-K551 PolarHBondContact O-N 2.89Å; K549-K551 VanDerWaalsContact C-N 3.33Å; K549-K551 PolarHBondContact O-N 3.28Å; K551-K554 PolarHBondContact O-N 2.88Å; K551-N555 WeakPolarHBondContact O-CB 3.48Å; K551-N555 VanDerWaalsContact O-CG 3.28Å; K551-N555 PolarHBondContact O-N 3.3Å |
| 552 | L | 81.7 | Confident | 80.6 | Confident | 124 Ų | 124 | 97.6 Ų | 97.6 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.3 | -44.1 | 177.4 | -135.7 | 115.4 | 0 | 0 | 0 | 111.1 | N548 K549 K554 N555 T556 | N548-L552 PolarHBondContact O-N 3.23Å; K549-L552 WeakPolarHBondContact O-CB 3.38Å; K549-L552 PolarHBondContact O-N 2.91Å; K549-L552 VanDerWaalsContact O-N 3.08Å; L552-K554 PolarHBondContact O-N 3.35Å; L552-N555 PolarHBondContact O-N 3.49Å; L552-T556 WeakPolarHBondContact O-CB 3.4Å; L552-T556 PolarHBondContact O-N 3.4Å; L552-T556 PolarHBondContact O-OG1 3.22Å |
| 553 | T | 77.9 | Confident | 80.3 | Confident | 89 Ų | 89 | 100 Ų | 100 | 55% | 0.546 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 175.4 | -38.2 | 0 | 0 | 0 | 0 | 111.3 | K549 L550 T556 A557 | K549-T553 PolarHBondContact O-N 3.34Å; K549-T553 PolarHBondContact O-OG1 2.99Å; L550-T553 PolarHBondContact O-N 3.26Å; T553-T556 PolarHBondContact O-N 3.41Å; T553-A557 WeakPolarHBondContact O-CB 3.33Å; T553-A557 PolarHBondContact O-N 3.28Å |
| 554 | K | 81.2 | Confident | 80 | Confident | 134 Ų | 134 | 101 Ų | 101 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -48.5 | 174.1 | 177.8 | -174 | 170.5 | -179.3 | 0 | 111.4 | L550 K551 L552 T556 A557 I558 | L550-K554 VanDerWaalsContact O-CB 3.26Å; L550-K554 WeakPolarHBondContact O-CB 3.44Å; L550-K554 PolarHBondContact O-N 2.98Å; K551-K554 PolarHBondContact O-N 2.88Å; L552-K554 PolarHBondContact O-N 3.35Å; K554-T556 VanDerWaalsContact C-N 3.31Å; K554-T556 PolarHBondContact O-N 3.48Å; K554-A557 CarbonylContact O-C 3.54Å; K554-A557 WeakPolarHBondContact O-CB 3.49Å; K554-A557 PolarHBondContact O-N 2.86Å; K554-I558 HydrophobicContact CD-CD1 4.47Å; K554-I558 HydrophobicContact CG-CD1 3.93Å; K554-I558 HydrophobicContact CG-CG1 4.49Å; K554-I558 WeakPolarHBondContact O-CG1 3.34Å; K554-I558 PolarHBondContact O-N 2.66Å |
| 555 | N | 81.2 | Confident | 79.6 | Confident | 93 Ų | 93 | 102.4 Ų | 102.4 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 179.3 | -72.6 | -5.8 | 0 | 0 | 0 | 111.3 | K551 L552 A557 I558 I559 | K551-N555 WeakPolarHBondContact O-CB 3.48Å; K551-N555 VanDerWaalsContact O-CG 3.28Å; K551-N555 PolarHBondContact O-N 3.3Å; L552-N555 PolarHBondContact O-N 3.49Å; N555-A557 VanDerWaalsContact C-N 3.34Å; N555-I558 PolarHBondContact O-N 3.4Å; N555-I559 WeakPolarHBondContact O-CG1 3.43Å; N555-I559 PolarHBondContact O-N 3.04Å |
| 556 | T | 81.1 | Confident | 79.5 | Confident | 69 Ų | 69 | 98.3 Ų | 98.3 | 42% | 0.423 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 174.3 | -49.5 | 0 | 0 | 0 | 0 | 111 | L552 T553 K554 I559 N560 | L552-T556 WeakPolarHBondContact O-CB 3.4Å; L552-T556 PolarHBondContact O-N 3.4Å; L552-T556 PolarHBondContact O-OG1 3.22Å; T553-T556 PolarHBondContact O-N 3.41Å; K554-T556 VanDerWaalsContact C-N 3.31Å; K554-T556 PolarHBondContact O-N 3.48Å; T556-I559 PolarHBondContact O-N 3.02Å; T556-N560 WeakPolarHBondContact O-CB 3.48Å; T556-N560 PolarHBondContact O-N 2.96Å; T556-N560 PolarHBondContact O-ND2 2.79Å |
| 557 | A | 77.9 | Confident | 79.1 | Confident | 56 Ų | 56 | 98.9 Ų | 98.9 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T553 K554 N555 N560 L561 | T553-A557 WeakPolarHBondContact O-CB 3.33Å; T553-A557 PolarHBondContact O-N 3.28Å; K554-A557 CarbonylContact O-C 3.54Å; K554-A557 WeakPolarHBondContact O-CB 3.49Å; K554-A557 PolarHBondContact O-N 2.86Å; N555-A557 VanDerWaalsContact C-N 3.34Å; A557-N560 PolarHBondContact O-N 3.25Å; A557-L561 VanDerWaalsContact O-CB 3.28Å; A557-L561 WeakPolarHBondContact O-CB 3.42Å; A557-L561 PolarHBondContact O-N 3.48Å |
| 558 | I | 81 | Confident | 78.8 | Confident | 70 Ų | 70 | 100.4 Ų | 100.4 | 36% | 0.359 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 174.6 | -69.9 | 167 | 0 | 0 | 0 | 110.7 | K554 N555 N560 L561 D562 | K554-I558 HydrophobicContact CD-CD1 4.47Å; K554-I558 HydrophobicContact CG-CD1 3.93Å; K554-I558 HydrophobicContact CG-CG1 4.49Å; K554-I558 WeakPolarHBondContact O-CG1 3.34Å; K554-I558 PolarHBondContact O-N 2.66Å; N555-I558 PolarHBondContact O-N 3.4Å; I558-N560 VanDerWaalsContact C-N 3.29Å; I558-N560 PolarHBondContact O-N 2.93Å; I558-L561 CarbonylContact O-C 3.6Å; I558-L561 WeakPolarHBondContact O-CA 3.39Å; I558-L561 WeakPolarHBondContact O-CB 3.39Å; I558-L561 PolarHBondContact O-N 3.42Å; I558-L561 VanDerWaalsContact O-N 3.1Å; I558-D562 PolarHBondContact O-N 3.01Å |
| 559 | I | 79.3 | Confident | 78.6 | Confident | 95 Ų | 95 | 103.2 Ų | 103.2 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 175.9 | -68 | 165.5 | 0 | 0 | 0 | 110.3 | N555 T556 L561 D562 K563 | N555-I559 WeakPolarHBondContact O-CG1 3.43Å; N555-I559 PolarHBondContact O-N 3.04Å; T556-I559 PolarHBondContact O-N 3.02Å; I559-L561 VanDerWaalsContact C-N 3.33Å; I559-D562 PolarHBondContact O-N 3.24Å; I559-K563 HydrophobicContact CG2-CD 4.48Å; I559-K563 WeakPolarHBondContact O-CG 3.47Å; I559-K563 PolarHBondContact O-N 3.03Å |
| 560 | N | 78.4 | Confident | 78.3 | Confident | 78 Ų | 78 | 101.7 Ų | 101.7 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -36.8 | 175.6 | -70.9 | -14.5 | 0 | 0 | 0 | 111.8 | T556 A557 I558 L564 | T556-N560 WeakPolarHBondContact O-CB 3.48Å; T556-N560 PolarHBondContact O-N 2.96Å; T556-N560 PolarHBondContact O-ND2 2.79Å; A557-N560 PolarHBondContact O-N 3.25Å; I558-N560 VanDerWaalsContact C-N 3.29Å; I558-N560 PolarHBondContact O-N 2.93Å; N560-L564 VanDerWaalsContact O-CB 3.28Å; N560-L564 WeakPolarHBondContact O-CB 3.42Å; N560-L564 WeakPolarHBondContact O-CG 3.39Å; N560-L564 PolarHBondContact O-N 3.4Å |
| 561 | L | 77.3 | Confident | 77.9 | Confident | 94 Ų | 94 | 102.3 Ų | 102.3 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -41.4 | 174 | -167.9 | 94.9 | 0 | 0 | 0 | 111.2 | A557 I558 I559 L564 K565 | A557-L561 VanDerWaalsContact O-CB 3.28Å; A557-L561 WeakPolarHBondContact O-CB 3.42Å; A557-L561 PolarHBondContact O-N 3.48Å; I558-L561 CarbonylContact O-C 3.6Å; I558-L561 WeakPolarHBondContact O-CA 3.39Å; I558-L561 WeakPolarHBondContact O-CB 3.39Å; I558-L561 PolarHBondContact O-N 3.42Å; I558-L561 VanDerWaalsContact O-N 3.1Å; I559-L561 VanDerWaalsContact C-N 3.33Å; L561-L564 CarbonylContact O-C 3.59Å; L561-L564 PolarHBondContact O-N 3.22Å; L561-K565 WeakPolarHBondContact O-CB 3.4Å; L561-K565 WeakPolarHBondContact O-CG 3.43Å; L561-K565 PolarHBondContact O-N 3.49Å |
| 562 | D | 79 | Confident | 77.4 | Confident | 73 Ų | 73 | 99.6 Ų | 99.6 | 39% | 0.39 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.8 | -38 | 178.3 | -73 | -24.6 | 0 | 0 | 0 | 111.4 | I558 I559 K565 I566 | I558-D562 PolarHBondContact O-N 3.01Å; I559-D562 PolarHBondContact O-N 3.24Å; D562-K565 WeakPolarHBondContact O-CB 3.37Å; D562-K565 PolarHBondContact O-N 3.42Å; D562-K565 IonicContact OD1-NZ 2.63Å; D562-I566 WeakPolarHBondContact O-CG1 3.11Å; D562-I566 PolarHBondContact O-N 2.85Å |
| 563 | K | 76 | Confident | 77 | Confident | 121 Ų | 121 | 97.8 Ų | 97.8 | 53% | 0.526 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60 | -48.4 | 168.3 | -75.1 | -179.5 | 179.2 | -175.5 | 0 | 111.4 | I559 K565 I566 E567 | I559-K563 HydrophobicContact CG2-CD 4.48Å; I559-K563 WeakPolarHBondContact O-CG 3.47Å; I559-K563 PolarHBondContact O-N 3.03Å; K563-K565 VanDerWaalsContact C-N 3.26Å; K563-K565 PolarHBondContact O-N 3.26Å; K563-I566 PolarHBondContact O-N 3.24Å; K563-I566 VanDerWaalsContact O-N 3.11Å; K563-E567 WeakPolarHBondContact O-CG 3.37Å; K563-E567 PolarHBondContact O-N 3.03Å |
| 564 | L | 75.2 | Confident | 76.8 | Confident | 106 Ų | 106 | 96.3 Ų | 96.3 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.2 | -35.3 | 174.8 | -88.7 | 159.8 | 0 | 0 | 0 | 111.9 | N560 L561 L568 | N560-L564 VanDerWaalsContact O-CB 3.28Å; N560-L564 WeakPolarHBondContact O-CB 3.42Å; N560-L564 WeakPolarHBondContact O-CG 3.39Å; N560-L564 PolarHBondContact O-N 3.4Å; L561-L564 CarbonylContact O-C 3.59Å; L561-L564 PolarHBondContact O-N 3.22Å; L564-L568 WeakPolarHBondContact O-CA 3.44Å; L564-L568 WeakPolarHBondContact O-CB 3.47Å; L564-L568 PolarHBondContact O-N 3.34Å |
| 565 | K | 75.6 | Confident | 76.1 | Confident | 120 Ų | 120 | 96 Ų | 96 | 52% | 0.522 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 174 | -81.7 | 176.5 | -177.6 | 170.5 | 0 | 112.2 | L561 D562 K563 K569 | L561-K565 WeakPolarHBondContact O-CB 3.4Å; L561-K565 WeakPolarHBondContact O-CG 3.43Å; L561-K565 PolarHBondContact O-N 3.49Å; D562-K565 WeakPolarHBondContact O-CB 3.37Å; D562-K565 PolarHBondContact O-N 3.42Å; D562-K565 IonicContact OD1-NZ 2.63Å; K563-K565 VanDerWaalsContact C-N 3.26Å; K563-K565 PolarHBondContact O-N 3.26Å; K565-K569 VanDerWaalsContact O-CB 3.29Å; K565-K569 WeakPolarHBondContact O-CB 3.27Å; K565-K569 PolarHBondContact O-N 2.86Å |
| 566 | I | 76.3 | Confident | 75.7 | Confident | 104 Ų | 104 | 97.9 Ų | 97.9 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -49.9 | 175.1 | -66.7 | 166.3 | 0 | 0 | 0 | 109.6 | D562 K563 L568 K569 E570 | D562-I566 WeakPolarHBondContact O-CG1 3.11Å; D562-I566 PolarHBondContact O-N 2.85Å; K563-I566 PolarHBondContact O-N 3.24Å; K563-I566 VanDerWaalsContact O-N 3.11Å; I566-L568 VanDerWaalsContact C-N 3.27Å; I566-L568 PolarHBondContact O-N 3.27Å; I566-K569 WeakPolarHBondContact O-CA 3.45Å; I566-K569 WeakPolarHBondContact O-CB 3.33Å; I566-K569 PolarHBondContact O-N 2.94Å; I566-E570 WeakPolarHBondContact O-CG 3.47Å; I566-E570 PolarHBondContact O-N 3.49Å |
| 567 | E | 73.9 | Confident | 75.1 | Confident | 103 Ų | 103 | 102.3 Ų | 102.3 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -38 | 175.6 | -71.6 | 175.1 | -168 | 0 | 0 | 111.9 | K563 K571 | K563-E567 WeakPolarHBondContact O-CG 3.37Å; K563-E567 PolarHBondContact O-N 3.03Å; E567-K571 VanDerWaalsContact O-CB 3.27Å; E567-K571 WeakPolarHBondContact O-CB 3.49Å; E567-K571 WeakPolarHBondContact O-CG 3.3Å; E567-K571 PolarHBondContact O-N 2.86Å |
| 568 | L | 74.6 | Confident | 74.6 | Confident | 107 Ų | 107 | 104.1 Ų | 104.1 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.6 | -38.8 | 174.6 | -168.2 | 81.6 | 0 | 0 | 0 | 110.6 | L564 I566 K571 C572 | L564-L568 WeakPolarHBondContact O-CA 3.44Å; L564-L568 WeakPolarHBondContact O-CB 3.47Å; L564-L568 PolarHBondContact O-N 3.34Å; I566-L568 VanDerWaalsContact C-N 3.27Å; I566-L568 PolarHBondContact O-N 3.27Å; L568-K571 CarbonylContact O-C 3.58Å; L568-K571 PolarHBondContact O-N 3.18Å; L568-C572 VanDerWaalsContact O-CB 3.26Å; L568-C572 WeakPolarHBondContact O-CB 3.4Å; L568-C572 PolarHBondContact O-N 2.77Å; L568-C572 PolarHBondContact O-SG 3.05Å |
| 569 | K | 77.6 | Confident | 73.7 | Confident | 141 Ų | 141 | 105.2 Ų | 105.2 | 61% | 0.613 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.1 | -45.5 | 177 | -172.5 | 165.6 | -177.7 | 177 | 0 | 111.4 | K565 I566 K571 C572 D573 | K565-K569 VanDerWaalsContact O-CB 3.29Å; K565-K569 WeakPolarHBondContact O-CB 3.27Å; K565-K569 PolarHBondContact O-N 2.86Å; I566-K569 WeakPolarHBondContact O-CA 3.45Å; I566-K569 WeakPolarHBondContact O-CB 3.33Å; I566-K569 PolarHBondContact O-N 2.94Å; K569-K571 VanDerWaalsContact C-N 3.32Å; K569-K571 PolarHBondContact O-N 3Å; K569-C572 CarbonylContact O-C 3.38Å; K569-C572 WeakPolarHBondContact O-CA 3.44Å; K569-C572 WeakPolarHBondContact O-CB 3.4Å; K569-C572 PolarHBondContact O-N 3.46Å; K569-C572 VanDerWaalsContact O-N 3.08Å; K569-D573 VanDerWaalsContact O-CG 3.24Å; K569-D573 PolarHBondContact O-N 2.78Å |
| 570 | E | 76.6 | Confident | 73.1 | Confident | 126 Ų | 126 | 106 Ų | 106 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -41.3 | 173.6 | -70.2 | 176.7 | 167.5 | 0 | 0 | 111.6 | I566 D573 S574 | I566-E570 WeakPolarHBondContact O-CG 3.47Å; I566-E570 PolarHBondContact O-N 3.49Å; E570-D573 PolarHBondContact O-N 3.39Å; E570-S574 WeakPolarHBondContact O-CB 3.44Å; E570-S574 PolarHBondContact O-N 2.96Å |
| 571 | K | 72.7 | Confident | 72.6 | Confident | 123 Ų | 123 | 107.2 Ų | 107.2 | 54% | 0.535 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -40 | 171.1 | -84.3 | -174.4 | 178.4 | 176.1 | 0 | 111.9 | E567 L568 K569 S574 Y575 | E567-K571 VanDerWaalsContact O-CB 3.27Å; E567-K571 WeakPolarHBondContact O-CB 3.49Å; E567-K571 WeakPolarHBondContact O-CG 3.3Å; E567-K571 PolarHBondContact O-N 2.86Å; L568-K571 CarbonylContact O-C 3.58Å; L568-K571 PolarHBondContact O-N 3.18Å; K569-K571 VanDerWaalsContact C-N 3.32Å; K569-K571 PolarHBondContact O-N 3Å; K571-S574 CarbonylContact O-C 3.59Å; K571-S574 PolarHBondContact O-N 2.96Å; K571-Y575 HydrophobicContact CB-CD2 4.12Å; K571-Y575 HydrophobicContact CB-CE2 4.07Å; K571-Y575 HydrophobicContact CD-CE2 4.45Å; K571-Y575 WeakPolarHBondContact O-CA 3.32Å; K571-Y575 WeakPolarHBondContact O-CB 3.34Å; K571-Y575 WeakPolarHBondContact O-CD2 3.44Å; K571-Y575 VanDerWaalsContact O-CG 3.26Å; K571-Y575 PolarHBondContact O-N 3.3Å |
| 572 | C | 70.3 | Confident | 71.7 | Confident | 65 Ų | 65 | 107.7 Ų | 107.7 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 176.2 | -81.8 | 0 | 0 | 0 | 0 | 111 | L568 K569 Y575 E576 | L568-C572 VanDerWaalsContact O-CB 3.26Å; L568-C572 WeakPolarHBondContact O-CB 3.4Å; L568-C572 PolarHBondContact O-N 2.77Å; L568-C572 PolarHBondContact O-SG 3.05Å; K569-C572 CarbonylContact O-C 3.38Å; K569-C572 WeakPolarHBondContact O-CA 3.44Å; K569-C572 WeakPolarHBondContact O-CB 3.4Å; K569-C572 PolarHBondContact O-N 3.46Å; K569-C572 VanDerWaalsContact O-N 3.08Å; C572-Y575 CarbonylContact O-C 3.59Å; C572-Y575 PolarHBondContact O-N 2.89Å; C572-E576 VanDerWaalsContact O-CB 3.25Å; C572-E576 WeakPolarHBondContact O-CB 3.36Å; C572-E576 PolarHBondContact O-N 3.29Å |
| 573 | D | 74.8 | Confident | 70.7 | Confident | 87 Ų | 87 | 106.9 Ų | 106.9 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 176.9 | -62.9 | -15.4 | 0 | 0 | 0 | 110.7 | K569 E570 E576 K577 | K569-D573 VanDerWaalsContact O-CG 3.24Å; K569-D573 PolarHBondContact O-N 2.78Å; E570-D573 PolarHBondContact O-N 3.39Å; D573-E576 PolarHBondContact O-N 2.68Å; D573-K577 PolarHBondContact O-N 3.42Å; D573-K577 VanDerWaalsContact O-N 3.13Å |
| 574 | S | 72.8 | Confident | 69.7 | Low | 58 Ų | 58 | 106.5 Ų | 106.5 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 170.9 | 174.2 | 0 | 0 | 0 | 0 | 111.9 | E570 K571 Q578 | E570-S574 WeakPolarHBondContact O-CB 3.44Å; E570-S574 PolarHBondContact O-N 2.96Å; K571-S574 CarbonylContact O-C 3.59Å; K571-S574 PolarHBondContact O-N 2.96Å; S574-Q578 WeakPolarHBondContact O-CG 3.48Å; S574-Q578 PolarHBondContact O-N 3.45Å |
| 575 | Y | 66.4 | Low | 68.7 | Low | 126 Ų | 126 | 106.2 Ų | 106.2 | 49% | 0.494 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.8 | -31.4 | 179.5 | -80.5 | -50.3 | 0 | 0 | 0 | 111.8 | K571 C572 K577 Q578 L579 | K571-Y575 HydrophobicContact CB-CD2 4.12Å; K571-Y575 HydrophobicContact CB-CE2 4.07Å; K571-Y575 HydrophobicContact CD-CE2 4.45Å; K571-Y575 WeakPolarHBondContact O-CA 3.32Å; K571-Y575 WeakPolarHBondContact O-CB 3.34Å; K571-Y575 WeakPolarHBondContact O-CD2 3.44Å; K571-Y575 VanDerWaalsContact O-CG 3.26Å; K571-Y575 PolarHBondContact O-N 3.3Å; C572-Y575 CarbonylContact O-C 3.59Å; C572-Y575 PolarHBondContact O-N 2.89Å; Y575-K577 VanDerWaalsContact C-N 3.33Å; Y575-Q578 CarbonylContact O-C 3.37Å; Y575-Q578 PolarHBondContact O-N 3.12Å; Y575-L579 WeakPolarHBondContact O-CA 3.45Å; Y575-L579 WeakPolarHBondContact O-CB 3.47Å; Y575-L579 PolarHBondContact O-N 2.93Å |
| 576 | E | 71.9 | Confident | 67.6 | Low | 134 Ų | 134 | 102.9 Ų | 102.9 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.3 | -38.7 | 175.9 | -170.6 | 171 | -157 | 0 | 0 | 109.7 | C572 D573 L579 N580 | C572-E576 VanDerWaalsContact O-CB 3.25Å; C572-E576 WeakPolarHBondContact O-CB 3.36Å; C572-E576 PolarHBondContact O-N 3.29Å; D573-E576 PolarHBondContact O-N 2.68Å; E576-L579 PolarHBondContact O-N 3.14Å; E576-N580 PolarHBondContact O-N 3.42Å |
| 577 | K | 70.3 | Confident | 66.5 | Low | 162 Ų | 162 | 105.6 Ų | 105.6 | 70% | 0.704 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.3 | -48.7 | 168.1 | -158.3 | 179.5 | -175.3 | -176.3 | 0 | 111.5 | D573 Y575 L579 N580 D581 | D573-K577 PolarHBondContact O-N 3.42Å; D573-K577 VanDerWaalsContact O-N 3.13Å; Y575-K577 VanDerWaalsContact C-N 3.33Å; K577-L579 VanDerWaalsContact C-N 3.31Å; K577-L579 PolarHBondContact O-N 2.91Å; K577-N580 PolarHBondContact O-N 3.07Å; K577-D581 PolarHBondContact O-N 2.85Å |
| 578 | Q | 66.5 | Low | 65.3 | Low | 94 Ų | 94 | 108 Ų | 108 | 44% | 0.439 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68 | -27.2 | 175.2 | -69.1 | 174.6 | 25.2 | 0 | 0 | 113.1 | S574 Y575 D581 K582 | S574-Q578 WeakPolarHBondContact O-CG 3.48Å; S574-Q578 PolarHBondContact O-N 3.45Å; Y575-Q578 CarbonylContact O-C 3.37Å; Y575-Q578 PolarHBondContact O-N 3.12Å; Q578-D581 PolarHBondContact O-N 2.89Å; Q578-K582 WeakPolarHBondContact O-CA 3.32Å; Q578-K582 WeakPolarHBondContact O-CB 3.21Å; Q578-K582 WeakPolarHBondContact O-CG 3.28Å; Q578-K582 PolarHBondContact O-N 3.34Å |
| 579 | L | 61.7 | Low | 64.1 | Low | 93 Ų | 93 | 107.3 Ų | 107.3 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -79.5 | -27.2 | 178.7 | -115.4 | 146.4 | 0 | 0 | 0 | 110.2 | Y575 E576 K577 D581 K582 S583 | Y575-L579 WeakPolarHBondContact O-CA 3.45Å; Y575-L579 WeakPolarHBondContact O-CB 3.47Å; Y575-L579 PolarHBondContact O-N 2.93Å; E576-L579 PolarHBondContact O-N 3.14Å; K577-L579 VanDerWaalsContact C-N 3.31Å; K577-L579 PolarHBondContact O-N 2.91Å; L579-D581 VanDerWaalsContact C-N 3.34Å; L579-K582 CarbonylContact O-C 3.58Å; L579-S583 VanDerWaalsContact O-CA 3.28Å; L579-S583 WeakPolarHBondContact O-CA 3.28Å; L579-S583 WeakPolarHBondContact O-CB 3.44Å; L579-S583 PolarHBondContact O-N 3.4Å |
| 580 | N | 68 | Low | 62.7 | Low | 111 Ų | 111 | 109 Ų | 109 | 59% | 0.594 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.1 | -43 | 168.9 | -157.2 | 45.2 | 0 | 0 | 0 | 109.8 | E576 K577 N584 | E576-N580 PolarHBondContact O-N 3.42Å; K577-N580 PolarHBondContact O-N 3.07Å; N580-N584 PolarHBondContact O-N 2.92Å; N580-N584 PolarHBondContact O-ND2 3.31Å |
| 581 | D | 67.9 | Low | 61.3 | Low | 104 Ų | 104 | 111.1 Ų | 111.1 | 56% | 0.556 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.7 | -43.4 | 174.6 | -62.2 | -22.9 | 0 | 0 | 0 | 111.9 | K577 Q578 L579 E585 | K577-D581 PolarHBondContact O-N 2.85Å; Q578-D581 PolarHBondContact O-N 2.89Å; L579-D581 VanDerWaalsContact C-N 3.34Å; D581-E585 PolarHBondContact O-N 3.17Å |
| 582 | K | 58 | Low | 60 | Low | 104 Ų | 104 | 113.7 Ų | 113.7 | 45% | 0.452 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -78.1 | -22.8 | 178.2 | -68.4 | -74.5 | 169.7 | -168.6 | 0 | 112.9 | Q578 L579 N584 E585 I586 | Q578-K582 WeakPolarHBondContact O-CA 3.32Å; Q578-K582 WeakPolarHBondContact O-CB 3.21Å; Q578-K582 WeakPolarHBondContact O-CG 3.28Å; Q578-K582 PolarHBondContact O-N 3.34Å; L579-K582 CarbonylContact O-C 3.58Å; K582-N584 VanDerWaalsContact C-N 3.29Å; K582-E585 HydrophobicContact CD-CB 4.47Å; K582-E585 WeakPolarHBondContact CD-OE2 3.48Å; K582-E585 VanDerWaalsContact CE-OE2 3.32Å; K582-E585 WeakPolarHBondContact CE-OE2 3.47Å; K582-E585 IonicContact NZ-OE2 3.24Å; K582-E585 PolarHBondContact NZ-OE2 3.35Å; K582-E585 CarbonylContact O-C 3.53Å; K582-E585 WeakPolarHBondContact O-CA 3.29Å; K582-E585 PolarHBondContact O-N 2.95Å; K582-I586 HydrophobicContact CB-CD1 4.01Å; K582-I586 HydrophobicContact CB-CG1 4.42Å; K582-I586 WeakPolarHBondContact O-CA 3.28Å; K582-I586 WeakPolarHBondContact O-CB 3.43Å; K582-I586 WeakPolarHBondContact O-CG1 3.44Å; K582-I586 PolarHBondContact O-N 3.25Å |
| 583 | S | 57.9 | Low | 58.6 | Low | 56 Ų | 56 | 115.4 Ų | 115.4 | 39% | 0.392 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.6 | -36.9 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | L579 E585 I586 Q587 | L579-S583 VanDerWaalsContact O-CA 3.28Å; L579-S583 WeakPolarHBondContact O-CA 3.28Å; L579-S583 WeakPolarHBondContact O-CB 3.44Å; L579-S583 PolarHBondContact O-N 3.4Å; S583-E585 VanDerWaalsContact C-N 3.26Å; S583-E585 PolarHBondContact O-N 3.29Å; S583-I586 PolarHBondContact O-N 2.96Å; S583-Q587 PolarHBondContact O-N 3.34Å |
| 584 | N | 55 | Low | 57 | Low | 112 Ų | 112 | 120.1 Ų | 120.1 | 60% | 0.599 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.6 | -33.5 | 168.6 | -63.9 | -26.8 | 0 | 0 | 0 | 111.7 | N580 K582 | N580-N584 PolarHBondContact O-N 2.92Å; N580-N584 PolarHBondContact O-ND2 3.31Å; K582-N584 VanDerWaalsContact C-N 3.29Å |
| 585 | E | 54 | Low | 55.4 | Low | 100 Ų | 100 | 125.8 Ų | 125.8 | 47% | 0.467 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -85 | -28.5 | 176.3 | -112.4 | -179.8 | -178.7 | 0 | 0 | 114.6 | D581 K582 S583 H588 I589 | D581-E585 PolarHBondContact O-N 3.17Å; K582-E585 HydrophobicContact CD-CB 4.47Å; K582-E585 WeakPolarHBondContact CD-OE2 3.48Å; K582-E585 VanDerWaalsContact CE-OE2 3.32Å; K582-E585 WeakPolarHBondContact CE-OE2 3.47Å; K582-E585 IonicContact NZ-OE2 3.24Å; K582-E585 PolarHBondContact NZ-OE2 3.35Å; K582-E585 CarbonylContact O-C 3.53Å; K582-E585 WeakPolarHBondContact O-CA 3.29Å; K582-E585 PolarHBondContact O-N 2.95Å; S583-E585 VanDerWaalsContact C-N 3.26Å; S583-E585 PolarHBondContact O-N 3.29Å; E585-H588 WeakPolarHBondContact O-CA 3.42Å; E585-H588 WeakPolarHBondContact O-CB 3.35Å; E585-H588 PolarHBondContact O-N 2.97Å; E585-H588 VanDerWaalsContact O-N 3.14Å; E585-I589 PolarHBondContact O-N 2.97Å |
| 586 | I | 52 | Low | 54.1 | Low | 50 Ų | 50 | 124.2 Ų | 124.2 | 26% | 0.256 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -91.4 | -18.2 | -173.7 | -73.8 | 175.1 | 0 | 0 | 0 | 110.8 | K582 S583 H588 I589 R590 | K582-I586 HydrophobicContact CB-CD1 4.01Å; K582-I586 HydrophobicContact CB-CG1 4.42Å; K582-I586 WeakPolarHBondContact O-CA 3.28Å; K582-I586 WeakPolarHBondContact O-CB 3.43Å; K582-I586 WeakPolarHBondContact O-CG1 3.44Å; K582-I586 PolarHBondContact O-N 3.25Å; S583-I586 PolarHBondContact O-N 2.96Å; I586-H588 PolarHBondContact O-N 3.28Å; I586-I589 PolarHBondContact O-N 3.26Å; I586-R590 HydrophobicContact CG2-CB 4.43Å; I586-R590 HydrophobicContact CG2-CG 3.54Å; I586-R590 VanDerWaalsContact CG2-NE 3.34Å; I586-R590 VanDerWaalsContact O-CB 3.27Å; I586-R590 WeakPolarHBondContact O-CB 3.49Å; I586-R590 PolarHBondContact O-N 3.14Å |
| 587 | Q | 52.9 | Low | 52.5 | Low | 162 Ų | 162 | 125.3 Ų | 125.3 | 76% | 0.757 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -54.9 | -30.1 | 156.3 | -171.3 | 172.8 | -3.7 | 0 | 0 | 110.6 | S583 | S583-Q587 PolarHBondContact O-N 3.34Å |
| 588 | H | 49.4 | Very low | 51.1 | Low | 153 Ų | 153 | 125.1 Ų | 125.1 | 71% | 0.708 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -85.3 | -28 | 177.1 | -117 | -31.1 | 0 | 0 | 0 | 114.7 | E585 I586 | E585-H588 WeakPolarHBondContact O-CA 3.42Å; E585-H588 WeakPolarHBondContact O-CB 3.35Å; E585-H588 PolarHBondContact O-N 2.97Å; E585-H588 VanDerWaalsContact O-N 3.14Å; I586-H588 PolarHBondContact O-N 3.28Å |
| 589 | I | 48.8 | Very low | 49.8 | Very low | 92 Ų | 92 | 130 Ų | 130 | 47% | 0.472 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -101.7 | -20.2 | -175.1 | -61.9 | 173.9 | 0 | 0 | 0 | 113.3 | E585 I586 Q591 K592 L593 | E585-I589 PolarHBondContact O-N 2.97Å; I586-I589 PolarHBondContact O-N 3.26Å; I589-Q591 PolarHBondContact O-N 2.98Å; I589-Q591 VanDerWaalsContact O-N 3.16Å; I589-K592 PolarHBondContact O-N 3.34Å; I589-L593 PolarHBondContact O-N 3.41Å |
| 590 | R | 48.7 | Very low | 48.4 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 67% | 0.668 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -13.4 | 173.9 | -87.9 | 172.5 | -176.9 | 164.6 | 1.5 | 114.5 | I586 K592 | I586-R590 HydrophobicContact CG2-CB 4.43Å; I586-R590 HydrophobicContact CG2-CG 3.54Å; I586-R590 VanDerWaalsContact CG2-NE 3.34Å; I586-R590 VanDerWaalsContact O-CB 3.27Å; I586-R590 WeakPolarHBondContact O-CB 3.49Å; I586-R590 PolarHBondContact O-N 3.14Å; R590-K592 VanDerWaalsContact C-N 3.34Å |
| 591 | Q | 47.7 | Very low | 46.9 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 80% | 0.799 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -22.4 | 164.9 | -83.3 | -177.7 | -17.2 | 0 | 0 | 113.2 | I589 | I589-Q591 PolarHBondContact O-N 2.98Å; I589-Q591 VanDerWaalsContact O-N 3.16Å |
| 592 | K | 45.8 | Very low | 45.6 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 77% | 0.765 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -15.9 | -174.4 | -71.8 | -170.8 | 176.1 | -180 | 0 | 115.5 | I589 R590 | I589-K592 PolarHBondContact O-N 3.34Å; R590-K592 VanDerWaalsContact C-N 3.34Å |
| 593 | L | 39.9 | Very low | 44.8 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 53% | 0.529 | 70% | 0.695 | S | S | . | * | S | Bend | trans | -102.9 | 1.6 | -176.4 | -142.9 | 106.3 | 0 | 0 | 0 | 115.7 | I589 Q595 | I589-L593 PolarHBondContact O-N 3.41Å; L593-Q595 PolarHBondContact O-N 3.04Å |
| 594 | K | 41.9 | Very low | 44 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 1.4 | 174.8 | -143.4 | 176.9 | -174.7 | -179 | 0 | 113.8 | ||
| 595 | Q | 39.5 | Very low | 43.4 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | -1.4 | -174.2 | -96.2 | 177.7 | -1.2 | 0 | 0 | 115.7 | L593 | L593-Q595 PolarHBondContact O-N 3.04Š|
| 596 | T | 39.1 | Very low | 43.1 | Very low | 92 Ų | 92 | 153.4 Ų | 153.4 | 56% | 0.564 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -123.3 | -2.3 | -177 | 50.1 | 0 | 0 | 0 | 0 | 115.4 | I598 K599 | T596-I598 PolarHBondContact O-N 2.89Å; T596-K599 PolarHBondContact O-N 3.49Å |
| 597 | E | 37.5 | Very low | 43.3 | Very low | 158 Ų | 158 | 155.2 Ų | 155.2 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 2.5 | 171.5 | -76.8 | -179.2 | 149.8 | 0 | 0 | 114.9 | ||
| 598 | I | 41 | Very low | 43.5 | Very low | 158 Ų | 158 | 152.5 Ų | 152.5 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -14.5 | 173.3 | -67.4 | 176.7 | 0 | 0 | 0 | 112.4 | T596 L600 | T596-I598 PolarHBondContact O-N 2.89Å; I598-L600 PolarHBondContact O-N 3.43Å |
| 599 | K | 39.9 | Very low | 43.8 | Very low | 197 Ų | 197 | 150 Ų | 150 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -96.5 | 26.2 | -172.6 | -70.1 | -169.7 | 176.1 | -177.6 | 0 | 116.3 | T596 | T596-K599 PolarHBondContact O-N 3.49Š|
| 600 | L | 32.2 | Very low | 44.1 | Very low | 161 Ų | 161 | 151.9 Ų | 151.9 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -138.4 | 48.2 | -178.6 | -143.3 | 154.8 | 0 | 0 | 0 | 114.1 | I598 | I598-L600 PolarHBondContact O-N 3.43Š|
| 601 | K | 36.8 | Very low | 44.8 | Very low | 198 Ų | 198 | 150.5 Ų | 150.5 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -140.1 | 19.3 | 178.6 | -124.1 | -179.1 | -175.7 | -178.6 | 0 | 119.3 | ||||
| 602 | E | 39.6 | Very low | 45.4 | Very low | 205 Ų | 205 | 149.8 Ų | 149.8 | 96% | 0.958 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -124.2 | 20.6 | -177.8 | -73 | -173.8 | 159.1 | 0 | 0 | 117.2 | ||
| 603 | A | 40.4 | Very low | 46.2 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -113.9 | 46.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 604 | N | 42.5 | Very low | 47.4 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | -123.8 | 34.2 | -171.6 | -166.7 | 43 | 0 | 0 | 0 | 116.7 | ||||
| 605 | N | 41.1 | Very low | 48.7 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | trans | -132 | 50 | -173.9 | -85.7 | -15.9 | 0 | 0 | 0 | 116.7 | ||||
| 606 | K | 48.9 | Very low | 50.1 | Low | 194 Ų | 194 | 136.7 Ų | 136.7 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -125.5 | -2.2 | 171.2 | -156.4 | 170.9 | 177.4 | -178.1 | 0 | 116.6 | ||
| 607 | A | 55.1 | Low | 51.8 | Low | 89 Ų | 89 | 137.8 Ų | 137.8 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -90.8 | -4.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 608 | T | 58.5 | Low | 53.5 | Low | 104 Ų | 104 | 137.3 Ų | 137.3 | 64% | 0.638 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -90.5 | -12.5 | -172.9 | 32.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 609 | V | 54.8 | Low | 55.2 | Low | 100 Ų | 100 | 134.5 Ų | 134.5 | 61% | 0.606 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -86.1 | -30.2 | -176.7 | 178 | 0 | 0 | 0 | 0 | 112.9 | Q611 | V609-Q611 PolarHBondContact O-N 2.93Š|
| 610 | D | 55.1 | Low | 56.9 | Low | 132 Ų | 132 | 129.3 Ų | 129.3 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -75.7 | -21.6 | -175.1 | -66.6 | -27.2 | 0 | 0 | 0 | 113.9 | ||
| 611 | Q | 63.4 | Low | 59.1 | Low | 148 Ų | 148 | 127.8 Ų | 127.8 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -74.2 | -28 | -179.3 | -163.4 | 89.5 | 23.6 | 0 | 0 | 112.9 | V609 | V609-Q611 PolarHBondContact O-N 2.93Å |
| 612 | Q | 61.3 | Low | 61.1 | Low | 157 Ų | 157 | 125 Ų | 125 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -80.2 | -29.3 | -175.5 | -73 | -176.4 | -19.9 | 0 | 0 | 112.9 | ||
| 613 | L | 61.2 | Low | 62.8 | Low | 130 Ų | 130 | 118.5 Ų | 118.5 | 68% | 0.681 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.7 | -31.2 | -177.9 | -132.5 | 118.3 | 0 | 0 | 0 | 112.8 | N615 | L613-N615 PolarHBondContact O-N 3.36Å |
| 614 | A | 65.6 | Low | 64.6 | Low | 57 Ų | 57 | 116.5 Ų | 116.5 | 47% | 0.471 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -72.7 | -24.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 615 | N | 70 | Confident | 66.4 | Low | 98 Ų | 98 | 113.7 Ų | 113.7 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -82 | -30.1 | -177.6 | -74 | -16.7 | 0 | 0 | 0 | 112.8 | L613 T619 | L613-N615 PolarHBondContact O-N 3.36Å; N615-T619 PolarHBondContact O-OG1 2.91Å |
| 616 | S | 68.4 | Low | 68.3 | Low | 80 Ų | 80 | 110.7 Ų | 110.7 | 56% | 0.559 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.8 | -38 | -178.6 | -155.6 | 0 | 0 | 0 | 0 | 112.7 | K618 T619 | S616-K618 PolarHBondContact O-N 3.4Å; S616-T619 PolarHBondContact O-N 3.45Å |
| 617 | N | 73.9 | Confident | 69.7 | Low | 116 Ų | 116 | 107.7 Ų | 107.7 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67 | -33.8 | -178.6 | -77.5 | -12.3 | 0 | 0 | 0 | 113.6 | T619 V620 E621 | N617-T619 VanDerWaalsContact C-N 3.29Å; N617-T619 PolarHBondContact O-N 2.96Å; N617-V620 PolarHBondContact O-N 3.33Å; N617-E621 PolarHBondContact O-N 3.49Å |
| 618 | K | 74.7 | Confident | 71 | Confident | 148 Ų | 148 | 109.6 Ų | 109.6 | 64% | 0.643 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.3 | -32.1 | 178.6 | -74.5 | -180 | 178.1 | 174.5 | 0 | 112.7 | S616 F622 | S616-K618 PolarHBondContact O-N 3.4Å; K618-F622 PolarHBondContact O-N 2.93Å |
| 619 | T | 76.4 | Confident | 72 | Confident | 98 Ų | 98 | 110.7 Ų | 110.7 | 60% | 0.601 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -72.8 | -31.8 | -177.3 | -32.7 | 0 | 0 | 0 | 0 | 112.2 | N615 S616 N617 S623 | N615-T619 PolarHBondContact O-OG1 2.91Å; S616-T619 PolarHBondContact O-N 3.45Å; N617-T619 VanDerWaalsContact C-N 3.29Å; N617-T619 PolarHBondContact O-N 2.96Å; T619-S623 PolarHBondContact O-OG 3.26Å; T619-S623 VanDerWaalsContact O-OG 3.06Å |
| 620 | V | 74.8 | Confident | 73 | Confident | 88 Ų | 88 | 109.6 Ų | 109.6 | 53% | 0.533 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -74.6 | -38.7 | 178.4 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | N617 F622 S623 T624 | N617-V620 PolarHBondContact O-N 3.33Å; V620-F622 PolarHBondContact O-N 3.09Å; V620-S623 PolarHBondContact O-N 3.28Å; V620-S623 PolarHBondContact O-OG 2.86Å; V620-S623 VanDerWaalsContact O-OG 3.08Å; V620-T624 PolarHBondContact O-N 2.9Å |
| 621 | E | 77.7 | Confident | 74.3 | Confident | 129 Ų | 129 | 109.2 Ų | 109.2 | 60% | 0.603 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.5 | -38.2 | -179.4 | -160.9 | 172.6 | -165.8 | 0 | 0 | 111.9 | N617 S623 T624 N625 | N617-E621 PolarHBondContact O-N 3.49Å; E621-S623 PolarHBondContact O-N 2.92Å; E621-T624 PolarHBondContact O-N 2.95Å; E621-T624 PolarHBondContact O-OG1 2.8Å; E621-N625 PolarHBondContact O-N 3.37Å; E621-N625 PolarHBondContact O-ND2 3.26Å |
| 622 | F | 79.1 | Confident | 75.2 | Confident | 139 Ų | 139 | 106.8 Ų | 106.8 | 61% | 0.61 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.6 | -42.5 | 178 | -175.3 | -105.6 | 0 | 0 | 0 | 113.2 | K618 V620 N625 L626 | K618-F622 PolarHBondContact O-N 2.93Å; V620-F622 PolarHBondContact O-N 3.09Å; F622-N625 PolarHBondContact O-N 2.99Å; F622-L626 HydrophobicContact CD1-CD1 3.86Å; F622-L626 HydrophobicContact CE1-CD1 3.3Å; F622-L626 HydrophobicContact CE2-CD1 4.49Å; F622-L626 HydrophobicContact CZ-CD1 3.67Å; F622-L626 PolarHBondContact O-N 3.4Å |
| 623 | S | 76.3 | Confident | 76.2 | Confident | 69 Ų | 69 | 105.4 Ų | 105.4 | 48% | 0.483 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.6 | -32.4 | -179.9 | 35.1 | 0 | 0 | 0 | 0 | 112.7 | T619 V620 E621 H627 | T619-S623 PolarHBondContact O-OG 3.26Å; T619-S623 VanDerWaalsContact O-OG 3.06Å; V620-S623 PolarHBondContact O-N 3.28Å; V620-S623 PolarHBondContact O-OG 2.86Å; V620-S623 VanDerWaalsContact O-OG 3.08Å; E621-S623 PolarHBondContact O-N 2.92Å; S623-H627 PolarHBondContact O-N 3.26Å |
| 624 | T | 78.1 | Confident | 77.2 | Confident | 69 Ų | 69 | 105.5 Ų | 105.5 | 42% | 0.423 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.7 | -33.2 | 174.4 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | V620 E621 K628 | V620-T624 PolarHBondContact O-N 2.9Å; E621-T624 PolarHBondContact O-N 2.95Å; E621-T624 PolarHBondContact O-OG1 2.8Å; T624-K628 PolarHBondContact O-N 2.9Å |
| 625 | N | 79.5 | Confident | 77.9 | Confident | 87 Ų | 87 | 106.1 Ų | 106.1 | 47% | 0.465 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.7 | -41.7 | 178.3 | -72.5 | -28.3 | 0 | 0 | 0 | 112 | E621 F622 H627 K628 E629 | E621-N625 PolarHBondContact O-N 3.37Å; E621-N625 PolarHBondContact O-ND2 3.26Å; F622-N625 PolarHBondContact O-N 2.99Å; N625-H627 VanDerWaalsContact C-N 3.27Å; N625-H627 PolarHBondContact O-N 2.84Å; N625-K628 PolarHBondContact O-N 3.22Å; N625-E629 PolarHBondContact O-N 3.4Å |
| 626 | L | 80.8 | Confident | 78.6 | Confident | 92 Ų | 92 | 108 Ų | 108 | 48% | 0.482 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.9 | -37.2 | 174.9 | -94 | 159 | 0 | 0 | 0 | 112.7 | F622 E629 S630 | F622-L626 HydrophobicContact CD1-CD1 3.86Å; F622-L626 HydrophobicContact CE1-CD1 3.3Å; F622-L626 HydrophobicContact CE2-CD1 4.49Å; F622-L626 HydrophobicContact CZ-CD1 3.67Å; F622-L626 PolarHBondContact O-N 3.4Å; L626-E629 PolarHBondContact O-N 3.44Å; L626-S630 PolarHBondContact O-N 2.92Å |
| 627 | H | 77.9 | Confident | 79.2 | Confident | 131 Ų | 131 | 109.6 Ų | 109.6 | 61% | 0.606 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.4 | -42.3 | 179.9 | -162 | 48.2 | 0 | 0 | 0 | 112.6 | S623 N625 E629 S630 E631 | S623-H627 PolarHBondContact O-N 3.26Å; N625-H627 VanDerWaalsContact C-N 3.27Å; N625-H627 PolarHBondContact O-N 2.84Å; H627-E629 VanDerWaalsContact C-N 3.32Å; H627-E629 PolarHBondContact O-N 3.37Å; H627-S630 PolarHBondContact O-N 3.38Å; H627-E631 PolarHBondContact O-N 2.93Å |
| 628 | K | 83.4 | Confident | 79.8 | Confident | 129 Ų | 129 | 109.1 Ų | 109.1 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.2 | -39.5 | 176.5 | -70.5 | 177.1 | -179.5 | 174.2 | 0 | 112.3 | T624 N625 S630 E631 I632 | T624-K628 PolarHBondContact O-N 2.9Å; N625-K628 PolarHBondContact O-N 3.22Å; K628-S630 VanDerWaalsContact C-N 3.29Å; K628-S630 PolarHBondContact O-N 3.32Å; K628-E631 PolarHBondContact O-N 3.46Å; K628-I632 WeakPolarHBondContact O-CG1 3.5Å; K628-I632 PolarHBondContact O-N 2.97Å |
| 629 | E | 79.6 | Confident | 80.2 | Confident | 128 Ų | 128 | 107.8 Ų | 107.8 | 60% | 0.598 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.3 | -35.4 | -179.5 | -147.1 | 161.1 | -151.2 | 0 | 0 | 111.6 | N625 L626 H627 Q633 | N625-E629 PolarHBondContact O-N 3.4Å; L626-E629 PolarHBondContact O-N 3.44Å; H627-E629 VanDerWaalsContact C-N 3.32Å; H627-E629 PolarHBondContact O-N 3.37Å; E629-Q633 PolarHBondContact O-N 3.03Å |
| 630 | S | 76.6 | Confident | 80.7 | Confident | 77 Ų | 77 | 108.7 Ų | 108.7 | 54% | 0.538 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.6 | -38.5 | 175.9 | -149.2 | 0 | 0 | 0 | 0 | 113 | L626 H627 K628 Q633 K634 | L626-S630 PolarHBondContact O-N 2.92Å; H627-S630 PolarHBondContact O-N 3.38Å; K628-S630 VanDerWaalsContact C-N 3.29Å; K628-S630 PolarHBondContact O-N 3.32Å; S630-Q633 PolarHBondContact O-N 3.25Å; S630-K634 PolarHBondContact O-N 3.03Å; S630-K634 VanDerWaalsContact O-N 3.08Å |
| 631 | E | 81 | Confident | 81.2 | Confident | 123 Ų | 123 | 109.1 Ų | 109.1 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.8 | -38.7 | 174.8 | -83.8 | -165.2 | 141 | 0 | 0 | 113.1 | H627 K628 Q633 K634 S635 | H627-E631 PolarHBondContact O-N 2.93Å; K628-E631 PolarHBondContact O-N 3.46Å; E631-Q633 VanDerWaalsContact C-N 3.32Å; E631-Q633 PolarHBondContact O-N 2.98Å; E631-K634 PolarHBondContact O-N 3.2Å; E631-S635 PolarHBondContact O-N 3.34Å; E631-S635 PolarHBondContact O-OG 3.4Å |
| 632 | I | 82.3 | Confident | 81.6 | Confident | 98 Ų | 98 | 106.4 Ų | 106.4 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 177.2 | -67.5 | 167.8 | 0 | 0 | 0 | 110.4 | K628 S635 K636 | K628-I632 WeakPolarHBondContact O-CG1 3.5Å; K628-I632 PolarHBondContact O-N 2.97Å; I632-S635 PolarHBondContact O-N 3.43Å; I632-K636 WeakPolarHBondContact O-CG 3.42Å; I632-K636 PolarHBondContact O-N 3.23Å |
| 633 | Q | 82.6 | Confident | 81.9 | Confident | 128 Ų | 128 | 103.8 Ų | 103.8 | 60% | 0.598 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.6 | -40.1 | 176.9 | -72.4 | -165.7 | -5.5 | 0 | 0 | 112.5 | E629 S630 E631 S635 K636 L637 | E629-Q633 PolarHBondContact O-N 3.03Å; S630-Q633 PolarHBondContact O-N 3.25Å; E631-Q633 VanDerWaalsContact C-N 3.32Å; E631-Q633 PolarHBondContact O-N 2.98Å; Q633-S635 VanDerWaalsContact C-N 3.35Å; Q633-S635 PolarHBondContact O-N 2.91Å; Q633-K636 PolarHBondContact O-N 2.84Å; Q633-L637 PolarHBondContact O-N 3.37Å; Q633-L637 VanDerWaalsContact O-N 3.15Å |
| 634 | K | 82.6 | Confident | 82.4 | Confident | 131 Ų | 131 | 105.4 Ų | 105.4 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.3 | -45.3 | 175.7 | -174.6 | -177.7 | 170.9 | -167.8 | 0 | 111.8 | S630 E631 K636 L637 E638 | S630-K634 PolarHBondContact O-N 3.03Å; S630-K634 VanDerWaalsContact O-N 3.08Å; E631-K634 PolarHBondContact O-N 3.2Å; K634-K636 VanDerWaalsContact C-N 3.32Å; K634-K636 PolarHBondContact O-N 3.41Å; K634-L637 PolarHBondContact O-N 2.89Å; K634-E638 WeakPolarHBondContact CE-OE1 3.48Å; K634-E638 IonicContact NZ-OE1 2.87Å; K634-E638 PolarHBondContact O-N 3.18Å; K634-E638 VanDerWaalsContact O-N 3.07Å |
| 635 | S | 79.6 | Confident | 82.8 | Confident | 71 Ų | 71 | 108 Ų | 108 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 179.3 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | E631 I632 Q633 E638 E639 | E631-S635 PolarHBondContact O-N 3.34Å; E631-S635 PolarHBondContact O-OG 3.4Å; I632-S635 PolarHBondContact O-N 3.43Å; Q633-S635 VanDerWaalsContact C-N 3.35Å; Q633-S635 PolarHBondContact O-N 2.91Å; S635-E638 PolarHBondContact O-N 3.45Å; S635-E639 PolarHBondContact O-N 2.99Å; S635-E639 VanDerWaalsContact O-N 3.13Å |
| 636 | K | 84.3 | Confident | 83.1 | Confident | 137 Ų | 137 | 110 Ų | 110 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.1 | -38.7 | 176.4 | -71.8 | 178 | 179.2 | -179.5 | 0 | 112.8 | I632 Q633 K634 E639 H640 | I632-K636 WeakPolarHBondContact O-CG 3.42Å; I632-K636 PolarHBondContact O-N 3.23Å; Q633-K636 PolarHBondContact O-N 2.84Å; K634-K636 VanDerWaalsContact C-N 3.32Å; K634-K636 PolarHBondContact O-N 3.41Å; K636-E639 PolarHBondContact O-N 3.3Å; K636-H640 PolarHBondContact O-N 3.4Å; K636-H640 VanDerWaalsContact O-N 3.14Å |
| 637 | L | 81.9 | Confident | 83.4 | Confident | 114 Ų | 114 | 111 Ų | 111 | 60% | 0.597 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.8 | -38.1 | 177.5 | -72.5 | 171 | 0 | 0 | 0 | 111.7 | Q633 K634 H640 I641 | Q633-L637 PolarHBondContact O-N 3.37Å; Q633-L637 VanDerWaalsContact O-N 3.15Å; K634-L637 PolarHBondContact O-N 2.89Å; L637-H640 PolarHBondContact O-N 3Å; L637-I641 VanDerWaalsContact O-CG1 3.32Å; L637-I641 WeakPolarHBondContact O-CG1 3.3Å; L637-I641 PolarHBondContact O-N 3.31Å |
| 638 | E | 86.6 | Confident | 83.9 | Confident | 105 Ų | 105 | 109.6 Ų | 109.6 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 175.7 | -72.8 | 173.7 | 175.3 | 0 | 0 | 112.2 | K634 S635 I641 S642 | K634-E638 WeakPolarHBondContact CE-OE1 3.48Å; K634-E638 IonicContact NZ-OE1 2.87Å; K634-E638 PolarHBondContact O-N 3.18Å; K634-E638 VanDerWaalsContact O-N 3.07Å; S635-E638 PolarHBondContact O-N 3.45Å; E638-I641 PolarHBondContact O-N 2.92Å; E638-S642 PolarHBondContact O-N 2.78Å; E638-S642 VanDerWaalsContact O-N 3.11Å |
| 639 | E | 84 | Confident | 84.1 | Confident | 121 Ų | 121 | 107.8 Ų | 107.8 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.1 | -44 | 173.9 | -171.6 | 179.8 | 179.4 | 0 | 0 | 111.8 | S635 K636 I641 S642 Q643 | S635-E639 PolarHBondContact O-N 2.99Å; S635-E639 VanDerWaalsContact O-N 3.13Å; K636-E639 PolarHBondContact O-N 3.3Å; E639-I641 PolarHBondContact O-N 2.92Å; E639-S642 WeakPolarHBondContact O-CB 3.46Å; E639-S642 PolarHBondContact O-N 3.41Å; E639-Q643 WeakPolarHBondContact O-CG 3.35Å; E639-Q643 PolarHBondContact O-N 2.83Å |
| 640 | H | 85.9 | Confident | 84.4 | Confident | 117 Ų | 117 | 107.3 Ų | 107.3 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.3 | -36.8 | -180 | -128.6 | 12 | 0 | 0 | 0 | 112.8 | K636 L637 S642 Q643 L644 | K636-H640 PolarHBondContact O-N 3.4Å; K636-H640 VanDerWaalsContact O-N 3.14Å; L637-H640 PolarHBondContact O-N 3Å; H640-S642 VanDerWaalsContact C-N 3.34Å; H640-Q643 PolarHBondContact ND1-OE1 3.28Å; H640-Q643 PolarHBondContact O-N 2.98Å; H640-L644 WeakPolarHBondContact O-CG 3.35Å; H640-L644 PolarHBondContact O-N 3.25Å |
| 641 | I | 84.9 | Confident | 84.9 | Confident | 96 Ų | 96 | 108.1 Ų | 108.1 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 173.7 | -70.4 | 167.7 | 0 | 0 | 0 | 110.7 | L637 E638 E639 L644 Q645 | L637-I641 VanDerWaalsContact O-CG1 3.32Å; L637-I641 WeakPolarHBondContact O-CG1 3.3Å; L637-I641 PolarHBondContact O-N 3.31Å; E638-I641 PolarHBondContact O-N 2.92Å; E639-I641 PolarHBondContact O-N 2.92Å; I641-L644 PolarHBondContact O-N 2.86Å; I641-Q645 VanDerWaalsContact O-CG 3.32Å; I641-Q645 WeakPolarHBondContact O-CG 3.26Å; I641-Q645 PolarHBondContact O-N 3.4Å |
| 642 | S | 86.4 | Confident | 85.2 | Confident | 73 Ų | 73 | 107.9 Ų | 107.9 | 51% | 0.51 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 175 | -98.5 | 0 | 0 | 0 | 0 | 112.7 | E638 E639 H640 Q645 Q646 | E638-S642 PolarHBondContact O-N 2.78Å; E638-S642 VanDerWaalsContact O-N 3.11Å; E639-S642 WeakPolarHBondContact O-CB 3.46Å; E639-S642 PolarHBondContact O-N 3.41Å; H640-S642 VanDerWaalsContact C-N 3.34Å; S642-Q645 PolarHBondContact O-N 3.41Å; S642-Q646 PolarHBondContact O-N 3.34Å; S642-Q646 VanDerWaalsContact O-N 3.11Å |
| 643 | Q | 86.2 | Confident | 85.6 | Confident | 83 Ų | 83 | 109.7 Ų | 109.7 | 39% | 0.388 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 177.1 | -71.8 | 169.8 | -6.4 | 0 | 0 | 111.7 | E639 H640 Q645 Q646 E647 | E639-Q643 WeakPolarHBondContact O-CG 3.35Å; E639-Q643 PolarHBondContact O-N 2.83Å; H640-Q643 PolarHBondContact ND1-OE1 3.28Å; H640-Q643 PolarHBondContact O-N 2.98Å; Q643-Q645 VanDerWaalsContact C-N 3.3Å; Q643-Q645 PolarHBondContact O-N 2.85Å; Q643-Q646 WeakPolarHBondContact O-CB 3.4Å; Q643-Q646 PolarHBondContact O-N 2.73Å; Q643-Q646 VanDerWaalsContact O-N 3.09Å; Q643-E647 PolarHBondContact O-N 3.36Å |
| 644 | L | 85.4 | Confident | 86 | Confident | 104 Ų | 104 | 109.8 Ų | 109.8 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -35.3 | 178.3 | -74 | 170.8 | 0 | 0 | 0 | 112.8 | H640 I641 Q646 L648 | H640-L644 WeakPolarHBondContact O-CG 3.35Å; H640-L644 PolarHBondContact O-N 3.25Å; I641-L644 PolarHBondContact O-N 2.86Å; L644-Q646 VanDerWaalsContact C-N 3.34Å; L644-L648 WeakPolarHBondContact O-CB 3.44Å; L644-L648 PolarHBondContact O-N 2.89Å |
| 645 | Q | 86.4 | Confident | 86.3 | Confident | 123 Ų | 123 | 107.6 Ų | 107.6 | 58% | 0.575 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.5 | -36.4 | 174.7 | -76.6 | 177.2 | -13.4 | 0 | 0 | 112.3 | I641 S642 Q643 L649 | I641-Q645 VanDerWaalsContact O-CG 3.32Å; I641-Q645 WeakPolarHBondContact O-CG 3.26Å; I641-Q645 PolarHBondContact O-N 3.4Å; S642-Q645 PolarHBondContact O-N 3.41Å; Q643-Q645 VanDerWaalsContact C-N 3.3Å; Q643-Q645 PolarHBondContact O-N 2.85Å; Q645-L649 PolarHBondContact O-N 2.75Å; Q645-L649 VanDerWaalsContact O-N 3.17Å |
| 646 | Q | 86.8 | Confident | 86.7 | Confident | 128 Ų | 128 | 113.2 Ų | 113.2 | 60% | 0.598 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.2 | -44.2 | 177.3 | -171 | 163.4 | -13.6 | 0 | 0 | 111.7 | S642 Q643 L644 L648 L649 E650 | S642-Q646 PolarHBondContact O-N 3.34Å; S642-Q646 VanDerWaalsContact O-N 3.11Å; Q643-Q646 WeakPolarHBondContact O-CB 3.4Å; Q643-Q646 PolarHBondContact O-N 2.73Å; Q643-Q646 VanDerWaalsContact O-N 3.09Å; L644-Q646 VanDerWaalsContact C-N 3.34Å; Q646-L648 VanDerWaalsContact C-N 3.34Å; Q646-L648 PolarHBondContact O-N 2.86Å; Q646-L649 WeakPolarHBondContact O-CB 3.22Å; Q646-L649 PolarHBondContact O-N 3.26Å; Q646-E650 PolarHBondContact O-N 2.81Å; Q646-E650 VanDerWaalsContact O-N 3.09Å |
| 647 | E | 87 | Confident | 87 | Confident | 113 Ų | 113 | 111.4 Ų | 111.4 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.9 | -43 | 173.9 | -71 | 176.8 | -175 | 0 | 0 | 111.7 | Q643 L649 E650 V651 | Q643-E647 PolarHBondContact O-N 3.36Å; E647-L649 VanDerWaalsContact C-N 3.29Å; E647-L649 PolarHBondContact O-N 3.25Å; E647-E650 PolarHBondContact O-N 2.89Å; E647-V651 WeakPolarHBondContact O-CG2 3.23Å; E647-V651 PolarHBondContact O-N 3.49Å |
| 648 | L | 88.1 | Confident | 87.3 | Confident | 103 Ų | 103 | 110.2 Ų | 110.2 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60 | -39.8 | 176.6 | -175 | 68 | 0 | 0 | 0 | 111.9 | L644 Q646 Q652 | L644-L648 WeakPolarHBondContact O-CB 3.44Å; L644-L648 PolarHBondContact O-N 2.89Å; Q646-L648 VanDerWaalsContact C-N 3.34Å; Q646-L648 PolarHBondContact O-N 2.86Å; L648-Q652 WeakPolarHBondContact O-CB 3.24Å; L648-Q652 VanDerWaalsContact O-CG 3.3Å; L648-Q652 WeakPolarHBondContact O-CG 3.44Å; L648-Q652 PolarHBondContact O-N 3.45Å |
| 649 | L | 87.7 | Confident | 87.4 | Confident | 91 Ų | 91 | 109.5 Ų | 109.5 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68 | -37 | 178.6 | -162.3 | 111.9 | 0 | 0 | 0 | 112 | Q645 Q646 E647 Q652 K653 | Q645-L649 PolarHBondContact O-N 2.75Å; Q645-L649 VanDerWaalsContact O-N 3.17Å; Q646-L649 WeakPolarHBondContact O-CB 3.22Å; Q646-L649 PolarHBondContact O-N 3.26Å; E647-L649 VanDerWaalsContact C-N 3.29Å; E647-L649 PolarHBondContact O-N 3.25Å; L649-Q652 PolarHBondContact O-N 3.2Å; L649-K653 WeakPolarHBondContact O-CG 3.34Å; L649-K653 PolarHBondContact O-N 3.16Å; L649-K653 VanDerWaalsContact O-N 3.09Å |
| 650 | E | 86.6 | Confident | 87.5 | Confident | 118 Ų | 118 | 107.5 Ų | 107.5 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.2 | -44.3 | 175.1 | -73.6 | -175.5 | -179.8 | 0 | 0 | 112 | Q646 E647 Q652 K653 M654 | Q646-E650 PolarHBondContact O-N 2.81Å; Q646-E650 VanDerWaalsContact O-N 3.09Å; E647-E650 PolarHBondContact O-N 2.89Å; E650-Q652 VanDerWaalsContact C-N 3.29Å; E650-Q652 PolarHBondContact O-N 3.09Å; E650-K653 PolarHBondContact O-N 3.09Å; E650-K653 VanDerWaalsContact O-N 3.16Å; E650-M654 PolarHBondContact O-N 3.38Å |
| 651 | V | 86.2 | Confident | 87.7 | Confident | 94 Ų | 94 | 105.2 Ų | 105.2 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.4 | -39 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | E647 M654 N655 | E647-V651 WeakPolarHBondContact O-CG2 3.23Å; E647-V651 PolarHBondContact O-N 3.49Å; V651-M654 PolarHBondContact O-N 3.48Å; V651-N655 WeakPolarHBondContact O-CB 3.39Å; V651-N655 PolarHBondContact O-N 3.03Å |
| 652 | Q | 88.3 | Confident | 87.8 | Confident | 117 Ų | 117 | 105.1 Ų | 105.1 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 175.4 | -76.4 | 178.5 | -4.3 | 0 | 0 | 112.8 | L648 L649 E650 R656 | L648-Q652 WeakPolarHBondContact O-CB 3.24Å; L648-Q652 VanDerWaalsContact O-CG 3.3Å; L648-Q652 WeakPolarHBondContact O-CG 3.44Å; L648-Q652 PolarHBondContact O-N 3.45Å; L649-Q652 PolarHBondContact O-N 3.2Å; E650-Q652 VanDerWaalsContact C-N 3.29Å; E650-Q652 PolarHBondContact O-N 3.09Å; Q652-R656 WeakPolarHBondContact O-CB 3.48Å; Q652-R656 PolarHBondContact O-N 3.21Å |
| 653 | K | 89.7 | Confident | 88 | Confident | 137 Ų | 137 | 107.9 Ų | 107.9 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -44.9 | 173.7 | -74.4 | 175.4 | -178.8 | 174.9 | 0 | 111.4 | L649 E650 N655 R656 Q657 | L649-K653 WeakPolarHBondContact O-CG 3.34Å; L649-K653 PolarHBondContact O-N 3.16Å; L649-K653 VanDerWaalsContact O-N 3.09Å; E650-K653 PolarHBondContact O-N 3.09Å; E650-K653 VanDerWaalsContact O-N 3.16Å; K653-N655 PolarHBondContact O-N 3.02Å; K653-R656 PolarHBondContact O-N 3.27Å; K653-Q657 PolarHBondContact O-N 2.89Å |
| 654 | M | 90.5 | Very high | 88.1 | Confident | 129 Ų | 129 | 107.2 Ų | 107.2 | 64% | 0.635 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60 | -46 | 177.2 | -163.6 | 86.2 | 179.7 | 0 | 0 | 111.3 | E650 V651 R656 Q657 L658 | E650-M654 PolarHBondContact O-N 3.38Å; V651-M654 PolarHBondContact O-N 3.48Å; M654-R656 VanDerWaalsContact C-N 3.33Å; M654-R656 PolarHBondContact O-N 2.86Å; M654-Q657 PolarHBondContact O-N 3.29Å; M654-L658 WeakPolarHBondContact O-CG 3.5Å; M654-L658 PolarHBondContact O-N 2.87Å |
| 655 | N | 90 | Very high | 88.1 | Confident | 85 Ų | 85 | 107.6 Ų | 107.6 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 177.8 | -166.2 | -25.2 | 0 | 0 | 0 | 111.4 | V651 K653 Q657 L658 Q659 | V651-N655 WeakPolarHBondContact O-CB 3.39Å; V651-N655 PolarHBondContact O-N 3.03Å; K653-N655 PolarHBondContact O-N 3.02Å; N655-Q657 VanDerWaalsContact C-N 3.33Å; N655-Q657 PolarHBondContact O-N 2.95Å; N655-L658 PolarHBondContact O-N 3.44Å; N655-Q659 WeakPolarHBondContact O-CG 3.35Å; N655-Q659 PolarHBondContact O-N 2.97Å; N655-Q659 PolarHBondContact OD1-NE2 2.91Å |
| 656 | R | 88.9 | Confident | 88.3 | Confident | 189 Ų | 189 | 107.4 Ų | 107.4 | 71% | 0.713 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -36.2 | 175.7 | -162.6 | 167.7 | -175.5 | 140.7 | -1.3 | 112.5 | Q652 K653 M654 L660 | Q652-R656 WeakPolarHBondContact O-CB 3.48Å; Q652-R656 PolarHBondContact O-N 3.21Å; K653-R656 PolarHBondContact O-N 3.27Å; M654-R656 VanDerWaalsContact C-N 3.33Å; M654-R656 PolarHBondContact O-N 2.86Å; R656-L660 WeakPolarHBondContact O-CG 3.35Å; R656-L660 PolarHBondContact O-N 2.94Å |
| 657 | Q | 89 | Confident | 88.3 | Confident | 99 Ų | 99 | 108.8 Ų | 108.8 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.8 | -48.4 | 174 | -173.6 | 58.8 | 46.1 | 0 | 0 | 111.3 | K653 M654 N655 Q659 L660 D661 | K653-Q657 PolarHBondContact O-N 2.89Å; M654-Q657 PolarHBondContact O-N 3.29Å; N655-Q657 VanDerWaalsContact C-N 3.33Å; N655-Q657 PolarHBondContact O-N 2.95Å; Q657-Q659 VanDerWaalsContact C-N 3.28Å; Q657-Q659 PolarHBondContact O-N 3.31Å; Q657-L660 WeakPolarHBondContact O-CA 3.39Å; Q657-L660 WeakPolarHBondContact O-CB 3.34Å; Q657-L660 PolarHBondContact O-N 3.31Å; Q657-D661 PolarHBondContact NE2-OD1 2.96Å; Q657-D661 PolarHBondContact O-N 3.18Å |
| 658 | L | 88.1 | Confident | 88.4 | Confident | 90 Ų | 90 | 110 Ų | 110 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 177.8 | -71.4 | 171.4 | 0 | 0 | 0 | 112.4 | M654 N655 L660 D661 I662 | M654-L658 WeakPolarHBondContact O-CG 3.5Å; M654-L658 PolarHBondContact O-N 2.87Å; N655-L658 PolarHBondContact O-N 3.44Å; L658-L660 VanDerWaalsContact C-N 3.3Å; L658-L660 PolarHBondContact O-N 3.32Å; L658-D661 PolarHBondContact O-N 3.48Å; L658-I662 VanDerWaalsContact O-CG1 3.27Å; L658-I662 WeakPolarHBondContact O-CG1 3.37Å; L658-I662 PolarHBondContact O-N 2.84Å |
| 659 | Q | 88.5 | Confident | 88.3 | Confident | 89 Ų | 89 | 109.9 Ų | 109.9 | 42% | 0.416 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -30.5 | 174.2 | -74 | 178.3 | 19.8 | 0 | 0 | 113.5 | N655 Q657 R663 | N655-Q659 WeakPolarHBondContact O-CG 3.35Å; N655-Q659 PolarHBondContact O-N 2.97Å; N655-Q659 PolarHBondContact OD1-NE2 2.91Å; Q657-Q659 VanDerWaalsContact C-N 3.28Å; Q657-Q659 PolarHBondContact O-N 3.31Å; Q659-R663 WeakPolarHBondContact O-CG 3.5Å; Q659-R663 PolarHBondContact O-N 3.31Å |
| 660 | L | 86.8 | Confident | 88.4 | Confident | 80 Ų | 80 | 111.9 Ų | 111.9 | 42% | 0.419 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.3 | -44.4 | 172.9 | -71.4 | 168.5 | 0 | 0 | 0 | 110.5 | R656 Q657 L658 I662 R663 D664 | R656-L660 WeakPolarHBondContact O-CG 3.35Å; R656-L660 PolarHBondContact O-N 2.94Å; Q657-L660 WeakPolarHBondContact O-CA 3.39Å; Q657-L660 WeakPolarHBondContact O-CB 3.34Å; Q657-L660 PolarHBondContact O-N 3.31Å; L658-L660 VanDerWaalsContact C-N 3.3Å; L658-L660 PolarHBondContact O-N 3.32Å; L660-I662 VanDerWaalsContact C-N 3.32Å; L660-I662 PolarHBondContact O-N 2.92Å; L660-R663 PolarHBondContact O-N 2.91Å; L660-R663 VanDerWaalsContact O-N 3.17Å; L660-D664 PolarHBondContact O-N 3.31Å |
| 661 | D | 90 | Very high | 88.4 | Confident | 68 Ų | 68 | 112.1 Ų | 112.1 | 36% | 0.364 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 178.9 | -61 | -16.6 | 0 | 0 | 0 | 111.5 | Q657 L658 D664 L665 | Q657-D661 PolarHBondContact NE2-OD1 2.96Å; Q657-D661 PolarHBondContact O-N 3.18Å; L658-D661 PolarHBondContact O-N 3.48Å; D661-D664 PolarHBondContact O-N 2.85Å; D661-L665 WeakPolarHBondContact O-CB 3.3Å; D661-L665 WeakPolarHBondContact O-CG 3.41Å; D661-L665 PolarHBondContact O-N 3.37Å |
| 662 | I | 87.9 | Confident | 88.5 | Confident | 95 Ų | 95 | 112.9 Ų | 112.9 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 174.2 | -70.9 | 166.7 | 0 | 0 | 0 | 110.9 | L658 L660 D664 L665 E666 | L658-I662 VanDerWaalsContact O-CG1 3.27Å; L658-I662 WeakPolarHBondContact O-CG1 3.37Å; L658-I662 PolarHBondContact O-N 2.84Å; L660-I662 VanDerWaalsContact C-N 3.32Å; L660-I662 PolarHBondContact O-N 2.92Å; I662-D664 VanDerWaalsContact C-N 3.28Å; I662-D664 PolarHBondContact O-N 2.81Å; I662-L665 PolarHBondContact O-N 3.45Å; I662-E666 HydrophobicContact CG2-CG 4.41Å; I662-E666 WeakPolarHBondContact O-CG 3.47Å; I662-E666 PolarHBondContact O-N 3.47Å |
| 663 | R | 90.3 | Very high | 88.5 | Confident | 130 Ų | 130 | 111.8 Ų | 111.8 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -35.5 | 178.3 | -73.9 | -172.6 | -158.5 | 102 | 2.4 | 112.7 | Q659 L660 R667 | Q659-R663 WeakPolarHBondContact O-CG 3.5Å; Q659-R663 PolarHBondContact O-N 3.31Å; L660-R663 PolarHBondContact O-N 2.91Å; L660-R663 VanDerWaalsContact O-N 3.17Å; R663-R667 WeakPolarHBondContact O-CB 3.45Å; R663-R667 PolarHBondContact O-N 2.86Å |
| 664 | D | 87.3 | Confident | 88.5 | Confident | 69 Ų | 69 | 110.6 Ų | 110.6 | 37% | 0.369 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.5 | -34.8 | 178.4 | -76.7 | -13.2 | 0 | 0 | 0 | 112.1 | L660 D661 I662 R667 K668 | L660-D664 PolarHBondContact O-N 3.31Å; D661-D664 PolarHBondContact O-N 2.85Å; I662-D664 VanDerWaalsContact C-N 3.28Å; I662-D664 PolarHBondContact O-N 2.81Å; D664-R667 PolarHBondContact O-N 2.82Å; D664-R667 IonicContact OD1-CZ 3.82Å; D664-R667 IonicContact OD1-NE 3.81Å; D664-R667 IonicContact OD1-NH2 3.63Å; D664-R667 PolarHBondContact OD1-NH2 3.41Å; D664-K668 WeakPolarHBondContact O-CG 3.36Å; D664-K668 PolarHBondContact O-N 3.45Å |
| 665 | L | 86.6 | Confident | 88.3 | Confident | 113 Ų | 113 | 108.3 Ų | 108.3 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.3 | -42.9 | 171.1 | -72.8 | 171 | 0 | 0 | 0 | 112 | D661 I662 R667 K668 L669 | D661-L665 WeakPolarHBondContact O-CB 3.3Å; D661-L665 WeakPolarHBondContact O-CG 3.41Å; D661-L665 PolarHBondContact O-N 3.37Å; I662-L665 PolarHBondContact O-N 3.45Å; L665-R667 VanDerWaalsContact C-N 3.29Å; L665-R667 PolarHBondContact O-N 2.82Å; L665-K668 PolarHBondContact O-N 3.46Å; L665-L669 WeakPolarHBondContact O-CB 3.44Å; L665-L669 PolarHBondContact O-N 3.17Å |
| 666 | E | 89.5 | Confident | 88 | Confident | 119 Ų | 119 | 108.8 Ų | 108.8 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.4 | -41.1 | 174.3 | -73.9 | 174.2 | 160.6 | 0 | 0 | 111.5 | I662 L669 L670 | I662-E666 HydrophobicContact CG2-CG 4.41Å; I662-E666 WeakPolarHBondContact O-CG 3.47Å; I662-E666 PolarHBondContact O-N 3.47Å; E666-L669 PolarHBondContact O-N 3.38Å; E666-L670 WeakPolarHBondContact O-CB 3.35Å; E666-L670 PolarHBondContact O-N 2.99Å |
| 667 | R | 87.6 | Confident | 88 | Confident | 156 Ų | 156 | 103.6 Ų | 103.6 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -45.4 | 175.7 | -165.1 | -172.6 | -42.3 | -176.9 | 14.2 | 112.1 | R663 D664 L665 L669 L670 E671 | R663-R667 WeakPolarHBondContact O-CB 3.45Å; R663-R667 PolarHBondContact O-N 2.86Å; D664-R667 PolarHBondContact O-N 2.82Å; D664-R667 IonicContact OD1-CZ 3.82Å; D664-R667 IonicContact OD1-NE 3.81Å; D664-R667 IonicContact OD1-NH2 3.63Å; D664-R667 PolarHBondContact OD1-NH2 3.41Å; L665-R667 VanDerWaalsContact C-N 3.29Å; L665-R667 PolarHBondContact O-N 2.82Å; R667-L669 VanDerWaalsContact C-N 3.34Å; R667-L669 PolarHBondContact O-N 3.35Å; R667-L670 PolarHBondContact O-N 3.35Å; R667-E671 WeakPolarHBondContact O-CB 3.43Å; R667-E671 PolarHBondContact O-N 2.99Å |
| 668 | K | 88.3 | Confident | 87.8 | Confident | 138 Ų | 138 | 102.5 Ų | 102.5 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -40.9 | 176.4 | -74.9 | 174.3 | -178.3 | 176.1 | 0 | 111.9 | D664 L665 E671 Q672 | D664-K668 WeakPolarHBondContact O-CG 3.36Å; D664-K668 PolarHBondContact O-N 3.45Å; L665-K668 PolarHBondContact O-N 3.46Å; K668-E671 PolarHBondContact O-N 2.94Å; K668-Q672 WeakPolarHBondContact O-CB 3.39Å; K668-Q672 PolarHBondContact O-N 3.17Å |
| 669 | L | 87 | Confident | 87.7 | Confident | 102 Ų | 102 | 104 Ų | 104 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 176.6 | -169.7 | 76.4 | 0 | 0 | 0 | 111.5 | L665 E666 R667 Q672 N673 | L665-L669 WeakPolarHBondContact O-CB 3.44Å; L665-L669 PolarHBondContact O-N 3.17Å; E666-L669 PolarHBondContact O-N 3.38Å; R667-L669 VanDerWaalsContact C-N 3.34Å; R667-L669 PolarHBondContact O-N 3.35Å; L669-Q672 PolarHBondContact O-N 3.36Å; L669-N673 WeakPolarHBondContact O-CB 3.34Å; L669-N673 PolarHBondContact O-N 3.47Å; L669-N673 PolarHBondContact O-ND2 2.89Å |
| 670 | L | 89.1 | Confident | 87.5 | Confident | 132 Ų | 132 | 104.5 Ų | 104.5 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 176.9 | -159.9 | 108.4 | 0 | 0 | 0 | 111.9 | E666 R667 N673 H674 | E666-L670 WeakPolarHBondContact O-CB 3.35Å; E666-L670 PolarHBondContact O-N 2.99Å; R667-L670 PolarHBondContact O-N 3.35Å; L670-N673 PolarHBondContact O-N 2.88Å; L670-H674 PolarHBondContact O-N 3.2Å |
| 671 | E | 86.9 | Confident | 87.5 | Confident | 124 Ų | 124 | 103.9 Ų | 103.9 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 176.7 | -162.6 | 164.9 | -156.4 | 0 | 0 | 111.3 | R667 K668 N673 H674 D675 | R667-E671 WeakPolarHBondContact O-CB 3.43Å; R667-E671 PolarHBondContact O-N 2.99Å; K668-E671 PolarHBondContact O-N 2.94Å; E671-N673 VanDerWaalsContact C-N 3.35Å; E671-N673 PolarHBondContact O-N 3.17Å; E671-H674 WeakPolarHBondContact O-CB 3.44Å; E671-H674 PolarHBondContact O-N 3.34Å; E671-D675 PolarHBondContact O-N 3.09Å |
| 672 | Q | 89.2 | Confident | 87.2 | Confident | 110 Ų | 110 | 103.1 Ų | 103.1 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -39.2 | 174.7 | -175.1 | 179.5 | -14.3 | 0 | 0 | 112.8 | K668 L669 D675 H676 | K668-Q672 WeakPolarHBondContact O-CB 3.39Å; K668-Q672 PolarHBondContact O-N 3.17Å; L669-Q672 PolarHBondContact O-N 3.36Å; Q672-D675 PolarHBondContact O-N 3.11Å; Q672-H676 PolarHBondContact O-N 3.25Å; Q672-H676 PolarHBondContact O-ND1 2.96Å |
| 673 | N | 87.6 | Confident | 87.3 | Confident | 93 Ų | 93 | 105.6 Ų | 105.6 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.4 | -36.3 | 175.5 | -78.8 | -26.6 | 0 | 0 | 0 | 112.2 | L669 L670 E671 T677 | L669-N673 WeakPolarHBondContact O-CB 3.34Å; L669-N673 PolarHBondContact O-N 3.47Å; L669-N673 PolarHBondContact O-ND2 2.89Å; L670-N673 PolarHBondContact O-N 2.88Å; E671-N673 VanDerWaalsContact C-N 3.35Å; E671-N673 PolarHBondContact O-N 3.17Å; N673-T677 PolarHBondContact O-N 3.3Å; N673-T677 PolarHBondContact O-OG1 3.21Å |
| 674 | H | 88.7 | Confident | 87.1 | Confident | 112 Ų | 112 | 103.5 Ų | 103.5 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 173.1 | -171.7 | 63.4 | 0 | 0 | 0 | 111 | L670 E671 H676 T677 N678 | L670-H674 PolarHBondContact O-N 3.2Å; E671-H674 WeakPolarHBondContact O-CB 3.44Å; E671-H674 PolarHBondContact O-N 3.34Å; H674-H676 PolarHBondContact O-N 2.91Å; H674-T677 WeakPolarHBondContact O-CB 3.28Å; H674-T677 PolarHBondContact O-N 2.86Å; H674-N678 PolarHBondContact CD2-ND2 3.39Å; H674-N678 VanDerWaalsContact CD2-ND2 3.34Å; H674-N678 PolarHBondContact NE2-ND2 3.42Å; H674-N678 VanDerWaalsContact NE2-ND2 3.17Å; H674-N678 VanDerWaalsContact O-CG 3.31Å; H674-N678 PolarHBondContact O-N 3.36Å; H674-N678 PolarHBondContact O-ND2 2.93Å |
| 675 | D | 86.5 | Confident | 87.1 | Confident | 82 Ų | 82 | 104.8 Ų | 104.8 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 176 | -74 | -17.3 | 0 | 0 | 0 | 112.6 | E671 Q672 T677 N678 Q679 | E671-D675 PolarHBondContact O-N 3.09Å; Q672-D675 PolarHBondContact O-N 3.11Å; D675-T677 VanDerWaalsContact C-N 3.33Å; D675-T677 PolarHBondContact O-N 3.19Å; D675-N678 PolarHBondContact O-N 3.46Å; D675-Q679 VanDerWaalsContact O-CG 3.3Å; D675-Q679 WeakPolarHBondContact O-CG 3.28Å; D675-Q679 PolarHBondContact O-N 2.84Å |
| 676 | H | 84.4 | Confident | 87 | Confident | 95 Ų | 95 | 104.1 Ų | 104.1 | 44% | 0.44 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 173.9 | -94.8 | 59.2 | 0 | 0 | 0 | 112 | Q672 H674 N678 Q679 I680 | Q672-H676 PolarHBondContact O-N 3.25Å; Q672-H676 PolarHBondContact O-ND1 2.96Å; H674-H676 PolarHBondContact O-N 2.91Å; H676-N678 VanDerWaalsContact C-N 3.34Å; H676-N678 PolarHBondContact O-N 3.47Å; H676-Q679 PolarHBondContact O-N 3.3Å; H676-I680 VanDerWaalsContact O-CG1 3.27Å; H676-I680 WeakPolarHBondContact O-CG1 3.32Å; H676-I680 PolarHBondContact O-N 2.82Å |
| 677 | T | 88 | Confident | 87 | Confident | 80 Ų | 80 | 104.4 Ų | 104.4 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 177.8 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | N673 H674 D675 I680 S681 | N673-T677 PolarHBondContact O-N 3.3Å; N673-T677 PolarHBondContact O-OG1 3.21Å; H674-T677 WeakPolarHBondContact O-CB 3.28Å; H674-T677 PolarHBondContact O-N 2.86Å; D675-T677 VanDerWaalsContact C-N 3.33Å; D675-T677 PolarHBondContact O-N 3.19Å; T677-I680 PolarHBondContact O-N 3.33Å; T677-S681 WeakPolarHBondContact O-CB 3.31Å; T677-S681 PolarHBondContact O-N 3.17Å; T677-S681 PolarHBondContact O-OG 3.33Å |
| 678 | N | 85.4 | Confident | 87 | Confident | 75 Ų | 75 | 104.3 Ų | 104.3 | 40% | 0.401 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 175.4 | -69.4 | -23.5 | 0 | 0 | 0 | 112.1 | H674 D675 H676 S681 A682 | H674-N678 PolarHBondContact CD2-ND2 3.39Å; H674-N678 VanDerWaalsContact CD2-ND2 3.34Å; H674-N678 PolarHBondContact NE2-ND2 3.42Å; H674-N678 VanDerWaalsContact NE2-ND2 3.17Å; H674-N678 VanDerWaalsContact O-CG 3.31Å; H674-N678 PolarHBondContact O-N 3.36Å; H674-N678 PolarHBondContact O-ND2 2.93Å; D675-N678 PolarHBondContact O-N 3.46Å; H676-N678 VanDerWaalsContact C-N 3.34Å; H676-N678 PolarHBondContact O-N 3.47Å; N678-S681 PolarHBondContact O-N 2.95Å; N678-A682 PolarHBondContact O-N 3.09Å |
| 679 | Q | 86.1 | Confident | 86.9 | Confident | 123 Ų | 123 | 102.5 Ų | 102.5 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 175.2 | -73.2 | 174 | 15.6 | 0 | 0 | 112.3 | D675 H676 S681 A682 Y683 | D675-Q679 VanDerWaalsContact O-CG 3.3Å; D675-Q679 WeakPolarHBondContact O-CG 3.28Å; D675-Q679 PolarHBondContact O-N 2.84Å; H676-Q679 PolarHBondContact O-N 3.3Å; Q679-S681 VanDerWaalsContact C-N 3.29Å; Q679-S681 PolarHBondContact O-N 2.82Å; Q679-A682 PolarHBondContact O-N 2.78Å; Q679-Y683 WeakPolarHBondContact O-CB 3.38Å; Q679-Y683 PolarHBondContact O-N 3.5Å |
| 680 | I | 85.1 | Confident | 86.8 | Confident | 98 Ų | 98 | 102.6 Ų | 102.6 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 175.5 | -69.3 | 165 | 0 | 0 | 0 | 110.6 | H676 T677 Y683 N684 | H676-I680 VanDerWaalsContact O-CG1 3.27Å; H676-I680 WeakPolarHBondContact O-CG1 3.32Å; H676-I680 PolarHBondContact O-N 2.82Å; T677-I680 PolarHBondContact O-N 3.33Å; I680-Y683 PolarHBondContact O-N 2.92Å; I680-N684 PolarHBondContact O-N 3.14Å; I680-N684 PolarHBondContact O-ND2 2.93Å |
| 681 | S | 85.8 | Confident | 86.8 | Confident | 67 Ų | 67 | 102.6 Ų | 102.6 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 179.2 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | T677 N678 Q679 Y683 N684 E685 | T677-S681 WeakPolarHBondContact O-CB 3.31Å; T677-S681 PolarHBondContact O-N 3.17Å; T677-S681 PolarHBondContact O-OG 3.33Å; N678-S681 PolarHBondContact O-N 2.95Å; Q679-S681 VanDerWaalsContact C-N 3.29Å; Q679-S681 PolarHBondContact O-N 2.82Å; S681-Y683 PolarHBondContact O-N 2.82Å; S681-N684 PolarHBondContact O-N 3.34Å; S681-E685 PolarHBondContact O-N 3.39Å |
| 682 | A | 84.8 | Confident | 86.8 | Confident | 53 Ų | 53 | 99.9 Ų | 99.9 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N678 Q679 E685 I686 | N678-A682 PolarHBondContact O-N 3.09Å; Q679-A682 PolarHBondContact O-N 2.78Å; A682-E685 PolarHBondContact O-N 2.86Å; A682-I686 WeakPolarHBondContact O-CG1 3.37Å; A682-I686 PolarHBondContact O-N 2.85Å |
| 683 | Y | 88.2 | Confident | 86.4 | Confident | 147 Ų | 147 | 99.9 Ų | 99.9 | 58% | 0.576 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62 | -43.4 | 175 | 174.9 | -98.8 | 0 | 0 | 0 | 111.9 | Q679 I680 S681 I686 K687 | Q679-Y683 WeakPolarHBondContact O-CB 3.38Å; Q679-Y683 PolarHBondContact O-N 3.5Å; I680-Y683 PolarHBondContact O-N 2.92Å; S681-Y683 PolarHBondContact O-N 2.82Å; Y683-I686 PolarHBondContact O-N 2.92Å; Y683-K687 HydrophobicContact CE1-CD 4.31Å; Y683-K687 VanDerWaalsContact O-CB 3.27Å; Y683-K687 WeakPolarHBondContact O-CB 3.24Å; Y683-K687 PolarHBondContact O-N 3.03Å |
| 684 | N | 87.8 | Confident | 86.2 | Confident | 85 Ų | 85 | 99 Ų | 99 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 177.7 | -73.6 | -29.5 | 0 | 0 | 0 | 112.2 | I680 S681 K687 Y688 | I680-N684 PolarHBondContact O-N 3.14Å; I680-N684 PolarHBondContact O-ND2 2.93Å; S681-N684 PolarHBondContact O-N 3.34Å; N684-K687 PolarHBondContact O-N 3.36Å; N684-Y688 WeakPolarHBondContact O-CB 3.3Å; N684-Y688 PolarHBondContact O-N 3.48Å |
| 685 | E | 86.3 | Confident | 86.1 | Confident | 97 Ų | 97 | 98.8 Ų | 98.8 | 45% | 0.453 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 174.5 | -176.5 | 56.2 | -146.5 | 0 | 0 | 111.6 | S681 A682 K687 Y688 Q689 | S681-E685 PolarHBondContact O-N 3.39Å; A682-E685 PolarHBondContact O-N 2.86Å; E685-K687 VanDerWaalsContact C-N 3.3Å; E685-K687 PolarHBondContact O-N 3.04Å; E685-Y688 PolarHBondContact O-N 3.49Å; E685-Q689 WeakPolarHBondContact O-CG 3.47Å; E685-Q689 PolarHBondContact O-N 3.13Å; E685-Q689 PolarHBondContact OE1-NE2 3.05Å |
| 686 | I | 85.1 | Confident | 86.1 | Confident | 98 Ų | 98 | 100.6 Ų | 100.6 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 175.4 | -68.9 | 167.8 | 0 | 0 | 0 | 111 | A682 Y683 Q689 L690 | A682-I686 WeakPolarHBondContact O-CG1 3.37Å; A682-I686 PolarHBondContact O-N 2.85Å; Y683-I686 PolarHBondContact O-N 2.92Å; I686-Q689 PolarHBondContact O-N 2.96Å; I686-L690 HydrophobicContact CG2-CD1 4.11Å; I686-L690 WeakPolarHBondContact O-CB 3.48Å; I686-L690 PolarHBondContact O-N 3.24Å |
| 687 | K | 88.7 | Confident | 86 | Confident | 125 Ų | 125 | 101.6 Ų | 101.6 | 54% | 0.543 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 176.9 | -175 | 179.5 | 178.4 | -176.5 | 0 | 111.9 | Y683 N684 E685 K691 | Y683-K687 HydrophobicContact CE1-CD 4.31Å; Y683-K687 VanDerWaalsContact O-CB 3.27Å; Y683-K687 WeakPolarHBondContact O-CB 3.24Å; Y683-K687 PolarHBondContact O-N 3.03Å; N684-K687 PolarHBondContact O-N 3.36Å; E685-K687 VanDerWaalsContact C-N 3.3Å; E685-K687 PolarHBondContact O-N 3.04Å; K687-K691 PolarHBondContact O-N 3.49Å; K687-K691 VanDerWaalsContact O-N 3.13Å |
| 688 | Y | 88.1 | Confident | 85.9 | Confident | 155 Ų | 155 | 102.3 Ų | 102.3 | 61% | 0.608 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.6 | -45.8 | 174.8 | -177.2 | -100.4 | 0 | 0 | 0 | 111.4 | N684 E685 L690 K691 V692 | N684-Y688 WeakPolarHBondContact O-CB 3.3Å; N684-Y688 PolarHBondContact O-N 3.48Å; E685-Y688 PolarHBondContact O-N 3.49Å; Y688-L690 PolarHBondContact O-N 3.11Å; Y688-K691 WeakPolarHBondContact O-CB 3.46Å; Y688-K691 PolarHBondContact O-N 3.42Å; Y688-K691 VanDerWaalsContact O-N 3.1Å; Y688-V692 HydrophobicContact CD1-CG2 4.31Å; Y688-V692 HydrophobicContact CE1-CG2 3.91Å; Y688-V692 WeakPolarHBondContact O-CG2 3.32Å; Y688-V692 PolarHBondContact O-N 3.34Å |
| 689 | Q | 87.2 | Confident | 85.9 | Confident | 99 Ų | 99 | 102.6 Ų | 102.6 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 176.2 | -69.4 | 177.3 | 14.7 | 0 | 0 | 112.5 | E685 I686 K691 V692 L693 | E685-Q689 WeakPolarHBondContact O-CG 3.47Å; E685-Q689 PolarHBondContact O-N 3.13Å; E685-Q689 PolarHBondContact OE1-NE2 3.05Å; I686-Q689 PolarHBondContact O-N 2.96Å; Q689-K691 VanDerWaalsContact C-N 3.32Å; Q689-K691 PolarHBondContact O-N 3.01Å; Q689-V692 PolarHBondContact O-N 3.14Å; Q689-L693 WeakPolarHBondContact O-CB 3.42Å; Q689-L693 WeakPolarHBondContact O-CG 3.47Å; Q689-L693 PolarHBondContact O-N 2.77Å |
| 690 | L | 84.1 | Confident | 85.8 | Confident | 105 Ų | 105 | 101.7 Ų | 101.7 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 173.4 | -85.4 | 166.8 | 0 | 0 | 0 | 112.1 | I686 Y688 L693 T694 | I686-L690 HydrophobicContact CG2-CD1 4.11Å; I686-L690 WeakPolarHBondContact O-CB 3.48Å; I686-L690 PolarHBondContact O-N 3.24Å; Y688-L690 PolarHBondContact O-N 3.11Å; L690-L693 PolarHBondContact O-N 3.41Å; L690-T694 WeakPolarHBondContact O-CB 3.31Å; L690-T694 PolarHBondContact O-N 3.37Å; L690-T694 PolarHBondContact O-OG1 3.3Å |
| 691 | K | 88.9 | Confident | 85.7 | Confident | 131 Ų | 131 | 99.5 Ų | 99.5 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.8 | -46.9 | 176.8 | -169.5 | -179.9 | 177.1 | -173.4 | 0 | 111.3 | K687 Y688 Q689 L693 T694 E695 | K687-K691 PolarHBondContact O-N 3.49Å; K687-K691 VanDerWaalsContact O-N 3.13Å; Y688-K691 WeakPolarHBondContact O-CB 3.46Å; Y688-K691 PolarHBondContact O-N 3.42Å; Y688-K691 VanDerWaalsContact O-N 3.1Å; Q689-K691 VanDerWaalsContact C-N 3.32Å; Q689-K691 PolarHBondContact O-N 3.01Å; K691-L693 PolarHBondContact O-N 3.29Å; K691-T694 PolarHBondContact O-N 2.97Å; K691-E695 WeakPolarHBondContact CE-OE1 3.49Å; K691-E695 PolarHBondContact O-N 2.98Å |
| 692 | V | 87.3 | Confident | 85.7 | Confident | 68 Ų | 68 | 103 Ų | 103 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 177.1 | 176 | 0 | 0 | 0 | 0 | 111.5 | Y688 Q689 T694 E695 K696 | Y688-V692 HydrophobicContact CD1-CG2 4.31Å; Y688-V692 HydrophobicContact CE1-CG2 3.91Å; Y688-V692 WeakPolarHBondContact O-CG2 3.32Å; Y688-V692 PolarHBondContact O-N 3.34Å; Q689-V692 PolarHBondContact O-N 3.14Å; V692-T694 VanDerWaalsContact C-N 3.34Å; V692-T694 PolarHBondContact O-N 3.25Å; V692-E695 PolarHBondContact O-N 2.66Å; V692-K696 WeakPolarHBondContact O-CB 3.46Å; V692-K696 PolarHBondContact O-N 3.04Å |
| 693 | L | 80.6 | Confident | 85.6 | Confident | 109 Ų | 109 | 106.7 Ų | 106.7 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -37.2 | 176 | -76.8 | 172.3 | 0 | 0 | 0 | 112.5 | Q689 L690 K691 K696 H697 | Q689-L693 WeakPolarHBondContact O-CB 3.42Å; Q689-L693 WeakPolarHBondContact O-CG 3.47Å; Q689-L693 PolarHBondContact O-N 2.77Å; L690-L693 PolarHBondContact O-N 3.41Å; K691-L693 PolarHBondContact O-N 3.29Å; L693-K696 PolarHBondContact O-N 3.04Å; L693-H697 WeakPolarHBondContact O-CB 3.37Å; L693-H697 PolarHBondContact O-N 3.33Å |
| 694 | T | 83.9 | Confident | 85.4 | Confident | 76 Ų | 76 | 104 Ų | 104 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 176.2 | -56.4 | 0 | 0 | 0 | 0 | 111 | L690 K691 V692 K696 H697 N698 | L690-T694 WeakPolarHBondContact O-CB 3.31Å; L690-T694 PolarHBondContact O-N 3.37Å; L690-T694 PolarHBondContact O-OG1 3.3Å; K691-T694 PolarHBondContact O-N 2.97Å; V692-T694 VanDerWaalsContact C-N 3.34Å; V692-T694 PolarHBondContact O-N 3.25Å; T694-K696 VanDerWaalsContact C-N 3.34Å; T694-K696 PolarHBondContact O-N 3.3Å; T694-H697 PolarHBondContact O-N 3.01Å; T694-N698 WeakPolarHBondContact O-CB 3.43Å; T694-N698 PolarHBondContact O-N 3.28Å; T694-N698 PolarHBondContact O-ND2 3.4Å |
| 695 | E | 86 | Confident | 85.3 | Confident | 107 Ų | 107 | 104 Ų | 104 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 174.8 | -73.3 | 172.6 | -168.2 | 0 | 0 | 111.9 | K691 V692 N698 T699 | K691-E695 WeakPolarHBondContact CE-OE1 3.49Å; K691-E695 PolarHBondContact O-N 2.98Å; V692-E695 PolarHBondContact O-N 2.66Å; E695-N698 PolarHBondContact O-N 3.04Å; E695-T699 PolarHBondContact O-N 2.97Å; E695-T699 PolarHBondContact O-OG1 3.42Å |
| 696 | K | 85.8 | Confident | 85.3 | Confident | 120 Ų | 120 | 103.8 Ų | 103.8 | 52% | 0.522 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 173.8 | -171.6 | 178.1 | 179.4 | 179.6 | 0 | 112.6 | V692 L693 T694 N698 T699 Q700 | V692-K696 WeakPolarHBondContact O-CB 3.46Å; V692-K696 PolarHBondContact O-N 3.04Å; L693-K696 PolarHBondContact O-N 3.04Å; T694-K696 VanDerWaalsContact C-N 3.34Å; T694-K696 PolarHBondContact O-N 3.3Å; K696-N698 VanDerWaalsContact C-N 3.35Å; K696-T699 VanDerWaalsContact CA-OG1 3.3Å; K696-T699 WeakPolarHBondContact CA-OG1 3.35Å; K696-T699 PolarHBondContact O-N 3.42Å; K696-T699 PolarHBondContact O-OG1 3.07Å; K696-Q700 WeakPolarHBondContact O-CG 3.46Å; K696-Q700 PolarHBondContact O-N 3.06Å |
| 697 | H | 82.4 | Confident | 85.2 | Confident | 115 Ų | 115 | 102.8 Ų | 102.8 | 53% | 0.532 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.3 | -179.2 | -82.7 | 0 | 0 | 0 | 111.3 | L693 T694 T699 Q700 T701 | L693-H697 WeakPolarHBondContact O-CB 3.37Å; L693-H697 PolarHBondContact O-N 3.33Å; T694-H697 PolarHBondContact O-N 3.01Å; H697-T699 PolarHBondContact O-N 3.23Å; H697-Q700 PolarHBondContact O-N 2.96Å; H697-T701 PolarHBondContact CE1-OG1 2.97Å; H697-T701 PolarHBondContact ND1-OG1 3.14Å; H697-T701 WeakPolarHBondContact O-CB 3.38Å; H697-T701 PolarHBondContact O-N 3.02Å; H697-T701 PolarHBondContact O-OG1 3.23Å |
| 698 | N | 86.5 | Confident | 85 | Confident | 96 Ų | 96 | 102 Ų | 102 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 177.5 | -70.5 | -16.1 | 0 | 0 | 0 | 112.1 | T694 E695 K696 T701 K702 | T694-N698 WeakPolarHBondContact O-CB 3.43Å; T694-N698 PolarHBondContact O-N 3.28Å; T694-N698 PolarHBondContact O-ND2 3.4Å; E695-N698 PolarHBondContact O-N 3.04Å; K696-N698 VanDerWaalsContact C-N 3.35Å; N698-T701 PolarHBondContact O-N 3.22Å; N698-K702 PolarHBondContact O-N 2.92Å |
| 699 | T | 85.1 | Confident | 84.9 | Confident | 81 Ų | 81 | 100.1 Ų | 100.1 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 175 | 26.9 | 0 | 0 | 0 | 0 | 112.4 | E695 K696 H697 T701 K702 Q703 | E695-T699 PolarHBondContact O-N 2.97Å; E695-T699 PolarHBondContact O-OG1 3.42Å; K696-T699 VanDerWaalsContact CA-OG1 3.3Å; K696-T699 WeakPolarHBondContact CA-OG1 3.35Å; K696-T699 PolarHBondContact O-N 3.42Å; K696-T699 PolarHBondContact O-OG1 3.07Å; H697-T699 PolarHBondContact O-N 3.23Å; T699-T701 VanDerWaalsContact C-N 3.35Å; T699-K702 PolarHBondContact O-N 2.65Å; T699-Q703 WeakPolarHBondContact O-CG 3.38Å; T699-Q703 PolarHBondContact O-N 3.46Å |
| 700 | Q | 84.5 | Confident | 85 | Confident | 104 Ų | 104 | 99.8 Ų | 99.8 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 174.4 | -73.8 | -179.9 | -37.5 | 0 | 0 | 112.5 | K696 H697 Q703 L704 | K696-Q700 WeakPolarHBondContact O-CG 3.46Å; K696-Q700 PolarHBondContact O-N 3.06Å; H697-Q700 PolarHBondContact O-N 2.96Å; Q700-Q703 PolarHBondContact O-N 2.93Å; Q700-L704 WeakPolarHBondContact O-CB 3.2Å; Q700-L704 PolarHBondContact O-N 3.36Å |
| 701 | T | 83.5 | Confident | 84.9 | Confident | 52 Ų | 52 | 98.9 Ų | 98.9 | 32% | 0.319 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 176 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | H697 N698 T699 Q703 L704 D705 | H697-T701 PolarHBondContact CE1-OG1 2.97Å; H697-T701 PolarHBondContact ND1-OG1 3.14Å; H697-T701 WeakPolarHBondContact O-CB 3.38Å; H697-T701 PolarHBondContact O-N 3.02Å; H697-T701 PolarHBondContact O-OG1 3.23Å; N698-T701 PolarHBondContact O-N 3.22Å; T699-T701 VanDerWaalsContact C-N 3.35Å; T701-Q703 PolarHBondContact O-N 2.89Å; T701-L704 WeakPolarHBondContact O-CB 3.46Å; T701-L704 PolarHBondContact O-N 3.38Å; T701-L704 VanDerWaalsContact O-N 3.17Å; T701-D705 PolarHBondContact O-N 2.82Å |
| 702 | K | 84.9 | Confident | 84.8 | Confident | 140 Ų | 140 | 98.2 Ų | 98.2 | 61% | 0.609 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.8 | -43.9 | 175.8 | -168.7 | 179.7 | 179 | -175.3 | 0 | 112.3 | N698 T699 L704 D705 D706 | N698-K702 PolarHBondContact O-N 2.92Å; T699-K702 PolarHBondContact O-N 2.65Å; K702-L704 VanDerWaalsContact C-N 3.32Å; K702-L704 PolarHBondContact O-N 2.8Å; K702-D705 PolarHBondContact O-N 3.25Å; K702-D706 VanDerWaalsContact O-CG 3.29Å; K702-D706 PolarHBondContact O-N 3.4Å |
| 703 | Q | 83.5 | Confident | 84.7 | Confident | 130 Ų | 130 | 98.3 Ų | 98.3 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -37.4 | 175 | -72.8 | 177.2 | -12.3 | 0 | 0 | 112.5 | T699 Q700 T701 T707 | T699-Q703 WeakPolarHBondContact O-CG 3.38Å; T699-Q703 PolarHBondContact O-N 3.46Å; Q700-Q703 PolarHBondContact O-N 2.93Å; T701-Q703 PolarHBondContact O-N 2.89Å; Q703-T707 WeakPolarHBondContact O-CB 3.39Å; Q703-T707 VanDerWaalsContact O-CG2 3.3Å; Q703-T707 WeakPolarHBondContact O-CG2 3.44Å; Q703-T707 PolarHBondContact O-N 3.34Å; Q703-T707 PolarHBondContact O-OG1 3.32Å |
| 704 | L | 84.3 | Confident | 84.8 | Confident | 92 Ų | 92 | 96.9 Ų | 96.9 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 175.8 | -174.8 | 66.4 | 0 | 0 | 0 | 111.6 | Q700 T701 K702 T707 K708 | Q700-L704 WeakPolarHBondContact O-CB 3.2Å; Q700-L704 PolarHBondContact O-N 3.36Å; T701-L704 WeakPolarHBondContact O-CB 3.46Å; T701-L704 PolarHBondContact O-N 3.38Å; T701-L704 VanDerWaalsContact O-N 3.17Å; K702-L704 VanDerWaalsContact C-N 3.32Å; K702-L704 PolarHBondContact O-N 2.8Å; L704-T707 WeakPolarHBondContact CA-OG1 3.41Å; L704-T707 PolarHBondContact O-OG1 2.86Å; L704-K708 VanDerWaalsContact O-CG 3.32Å; L704-K708 WeakPolarHBondContact O-CG 3.48Å; L704-K708 PolarHBondContact O-N 3.15Å |
| 705 | D | 85.6 | Confident | 84.9 | Confident | 83 Ų | 83 | 96.6 Ų | 96.6 | 44% | 0.444 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.5 | -40.7 | 177.5 | -68.2 | -24.1 | 0 | 0 | 0 | 111.8 | T701 K702 T707 K708 L709 | T701-D705 PolarHBondContact O-N 2.82Å; K702-D705 PolarHBondContact O-N 3.25Å; D705-T707 VanDerWaalsContact C-N 3.34Å; D705-T707 PolarHBondContact O-N 2.92Å; D705-K708 PolarHBondContact O-N 3.21Å; D705-K708 IonicContact OD1-NZ 3.91Å; D705-L709 PolarHBondContact O-N 3.38Å |
| 706 | D | 85.8 | Confident | 84.9 | Confident | 93 Ų | 93 | 97.7 Ų | 97.7 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 174.1 | -69.1 | -22.3 | 0 | 0 | 0 | 111.4 | K702 L709 N710 | K702-D706 VanDerWaalsContact O-CG 3.29Å; K702-D706 PolarHBondContact O-N 3.4Å; D706-L709 PolarHBondContact O-N 3.26Å; D706-N710 WeakPolarHBondContact O-CB 3.49Å; D706-N710 PolarHBondContact O-N 3.43Å |
| 707 | T | 81.8 | Confident | 84.9 | Confident | 78 Ų | 78 | 97.4 Ų | 97.4 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 176.5 | 50.5 | 0 | 0 | 0 | 0 | 112.7 | Q703 L704 D705 N710 V711 | Q703-T707 WeakPolarHBondContact O-CB 3.39Å; Q703-T707 VanDerWaalsContact O-CG2 3.3Å; Q703-T707 WeakPolarHBondContact O-CG2 3.44Å; Q703-T707 PolarHBondContact O-N 3.34Å; Q703-T707 PolarHBondContact O-OG1 3.32Å; L704-T707 WeakPolarHBondContact CA-OG1 3.41Å; L704-T707 PolarHBondContact O-OG1 2.86Å; D705-T707 VanDerWaalsContact C-N 3.34Å; D705-T707 PolarHBondContact O-N 2.92Å; T707-N710 PolarHBondContact O-N 3.07Å; T707-V711 VanDerWaalsContact O-CG2 3.32Å; T707-V711 WeakPolarHBondContact O-CG2 3.32Å; T707-V711 PolarHBondContact O-N 3.03Å |
| 708 | K | 85.1 | Confident | 85 | Confident | 109 Ų | 109 | 96.5 Ų | 96.5 | 47% | 0.474 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 171.6 | -78.2 | 173.5 | -176.3 | 168.5 | 0 | 111.7 | L704 D705 N710 V711 E712 | L704-K708 VanDerWaalsContact O-CG 3.32Å; L704-K708 WeakPolarHBondContact O-CG 3.48Å; L704-K708 PolarHBondContact O-N 3.15Å; D705-K708 PolarHBondContact O-N 3.21Å; D705-K708 IonicContact OD1-NZ 3.91Å; K708-N710 VanDerWaalsContact C-N 3.28Å; K708-N710 PolarHBondContact O-N 3.31Å; K708-V711 PolarHBondContact O-N 3.06Å; K708-E712 PolarHBondContact O-N 3.01Å |
| 709 | L | 87.1 | Confident | 85.1 | Confident | 114 Ų | 114 | 97.5 Ų | 97.5 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59 | -42.9 | 177.3 | -159.8 | 88.6 | 0 | 0 | 0 | 111 | D705 D706 E712 T713 | D705-L709 PolarHBondContact O-N 3.38Å; D706-L709 PolarHBondContact O-N 3.26Å; L709-E712 PolarHBondContact O-N 3.48Å; L709-T713 PolarHBondContact O-N 3.3Å; L709-T713 PolarHBondContact O-OG1 2.96Å |
| 710 | N | 88 | Confident | 85.2 | Confident | 93 Ų | 93 | 99.1 Ų | 99.1 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 177.3 | -169.5 | 50.3 | 0 | 0 | 0 | 113 | D706 T707 K708 T713 L714 | D706-N710 WeakPolarHBondContact O-CB 3.49Å; D706-N710 PolarHBondContact O-N 3.43Å; T707-N710 PolarHBondContact O-N 3.07Å; K708-N710 VanDerWaalsContact C-N 3.28Å; K708-N710 PolarHBondContact O-N 3.31Å; N710-T713 VanDerWaalsContact CA-OG1 3.3Å; N710-T713 WeakPolarHBondContact CA-OG1 3.12Å; N710-T713 PolarHBondContact O-N 3.26Å; N710-T713 PolarHBondContact O-OG1 3.15Å; N710-L714 WeakPolarHBondContact O-CB 3.5Å; N710-L714 WeakPolarHBondContact O-CG 3.44Å; N710-L714 PolarHBondContact O-N 3.43Å |
| 711 | V | 83.4 | Confident | 85.2 | Confident | 86 Ų | 86 | 98.7 Ų | 98.7 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 173.5 | 169.1 | 0 | 0 | 0 | 0 | 110.5 | T707 K708 L714 T715 | T707-V711 VanDerWaalsContact O-CG2 3.32Å; T707-V711 WeakPolarHBondContact O-CG2 3.32Å; T707-V711 PolarHBondContact O-N 3.03Å; K708-V711 PolarHBondContact O-N 3.06Å; V711-L714 PolarHBondContact O-N 2.87Å; V711-T715 VanDerWaalsContact O-CB 3.31Å; V711-T715 WeakPolarHBondContact O-CB 3.46Å; V711-T715 PolarHBondContact O-N 2.87Å; V711-T715 PolarHBondContact O-OG1 3.25Å |
| 712 | E | 85.3 | Confident | 85.3 | Confident | 116 Ų | 116 | 101.8 Ų | 101.8 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 175.9 | -76.2 | -178.4 | -175 | 0 | 0 | 112.3 | K708 L709 T715 K716 | K708-E712 PolarHBondContact O-N 3.01Å; L709-E712 PolarHBondContact O-N 3.48Å; E712-T715 PolarHBondContact O-N 3.45Å; E712-K716 WeakPolarHBondContact O-CG 3.42Å; E712-K716 PolarHBondContact O-N 3.2Å; E712-K716 VanDerWaalsContact O-N 3.11Å |
| 713 | T | 85.6 | Confident | 85.3 | Confident | 71 Ų | 71 | 100.8 Ų | 100.8 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.8 | -45.9 | 176 | 47.4 | 0 | 0 | 0 | 0 | 112 | L709 N710 T715 K716 E717 | L709-T713 PolarHBondContact O-N 3.3Å; L709-T713 PolarHBondContact O-OG1 2.96Å; N710-T713 VanDerWaalsContact CA-OG1 3.3Å; N710-T713 WeakPolarHBondContact CA-OG1 3.12Å; N710-T713 PolarHBondContact O-N 3.26Å; N710-T713 PolarHBondContact O-OG1 3.15Å; T713-T715 VanDerWaalsContact C-N 3.28Å; T713-T715 PolarHBondContact O-N 3.48Å; T713-K716 PolarHBondContact O-N 2.91Å; T713-E717 PolarHBondContact O-N 3.11Å |
| 714 | L | 83.5 | Confident | 85.5 | Confident | 79 Ų | 79 | 98.7 Ų | 98.7 | 41% | 0.414 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -30.5 | 176.8 | -72.1 | 171.5 | 0 | 0 | 0 | 112.6 | N710 V711 N718 | N710-L714 WeakPolarHBondContact O-CB 3.5Å; N710-L714 WeakPolarHBondContact O-CG 3.44Å; N710-L714 PolarHBondContact O-N 3.43Å; V711-L714 PolarHBondContact O-N 2.87Å; L714-N718 WeakPolarHBondContact O-CB 3.46Å; L714-N718 PolarHBondContact O-N 3.34Å; L714-N718 PolarHBondContact O-ND2 3.3Å; L714-N718 VanDerWaalsContact O-ND2 3.12Å |
| 715 | T | 84.9 | Confident | 85.6 | Confident | 69 Ų | 69 | 98.4 Ų | 98.4 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 111 | V711 E712 T713 N718 Q719 | V711-T715 VanDerWaalsContact O-CB 3.31Å; V711-T715 WeakPolarHBondContact O-CB 3.46Å; V711-T715 PolarHBondContact O-N 2.87Å; V711-T715 PolarHBondContact O-OG1 3.25Å; E712-T715 PolarHBondContact O-N 3.45Å; T713-T715 VanDerWaalsContact C-N 3.28Å; T713-T715 PolarHBondContact O-N 3.48Å; T715-N718 PolarHBondContact O-N 3.36Å; T715-Q719 WeakPolarHBondContact O-CG 3.47Å; T715-Q719 PolarHBondContact O-N 2.92Å |
| 716 | K | 86.7 | Confident | 85.6 | Confident | 131 Ų | 131 | 98 Ų | 98 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 174.4 | -71 | 173.9 | -177.4 | 172.6 | 0 | 111.9 | E712 T713 Q719 L720 | E712-K716 WeakPolarHBondContact O-CG 3.42Å; E712-K716 PolarHBondContact O-N 3.2Å; E712-K716 VanDerWaalsContact O-N 3.11Å; T713-K716 PolarHBondContact O-N 2.91Å; K716-Q719 PolarHBondContact O-N 3.47Å; K716-L720 PolarHBondContact O-N 3.45Å |
| 717 | E | 86.5 | Confident | 85.6 | Confident | 113 Ų | 113 | 98.2 Ų | 98.2 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 176.4 | -169.4 | 175 | -174.2 | 0 | 0 | 111.8 | T713 Q719 L720 L721 | T713-E717 PolarHBondContact O-N 3.11Å; E717-Q719 VanDerWaalsContact C-N 3.34Å; E717-Q719 PolarHBondContact O-N 3.31Å; E717-L720 PolarHBondContact O-N 3.46Å; E717-L721 HydrophobicContact CG-CD1 4.49Å; E717-L721 WeakPolarHBondContact O-CG 3.35Å; E717-L721 PolarHBondContact O-N 3.15Å |
| 718 | N | 84.1 | Confident | 85.8 | Confident | 96 Ų | 96 | 98 Ų | 98 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 173.5 | -86.4 | -47.6 | 0 | 0 | 0 | 112.8 | L714 T715 L721 L722 | L714-N718 WeakPolarHBondContact O-CB 3.46Å; L714-N718 PolarHBondContact O-N 3.34Å; L714-N718 PolarHBondContact O-ND2 3.3Å; L714-N718 VanDerWaalsContact O-ND2 3.12Å; T715-N718 PolarHBondContact O-N 3.36Å; N718-L721 PolarHBondContact O-N 2.88Å; N718-L722 WeakPolarHBondContact O-CB 3.29Å; N718-L722 VanDerWaalsContact O-CG 3.29Å; N718-L722 WeakPolarHBondContact O-CG 3.39Å; N718-L722 PolarHBondContact O-N 2.96Å |
| 719 | Q | 87.3 | Confident | 85.9 | Confident | 117 Ų | 117 | 98 Ų | 98 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 174.8 | -80.8 | 177.3 | -19.1 | 0 | 0 | 111.6 | T715 K716 E717 L721 L722 E723 | T715-Q719 WeakPolarHBondContact O-CG 3.47Å; T715-Q719 PolarHBondContact O-N 2.92Å; K716-Q719 PolarHBondContact O-N 3.47Å; E717-Q719 VanDerWaalsContact C-N 3.34Å; E717-Q719 PolarHBondContact O-N 3.31Å; Q719-L721 PolarHBondContact O-N 3.48Å; Q719-L722 PolarHBondContact O-N 2.96Å; Q719-E723 PolarHBondContact O-N 3.4Å |
| 720 | L | 87.2 | Confident | 85.9 | Confident | 116 Ų | 116 | 97.1 Ų | 97.1 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.3 | -42.1 | 177 | -71.8 | 169.3 | 0 | 0 | 0 | 112.3 | K716 E717 E723 Q724 | K716-L720 PolarHBondContact O-N 3.45Å; E717-L720 PolarHBondContact O-N 3.46Å; L720-E723 PolarHBondContact O-N 3.5Å; L720-Q724 WeakPolarHBondContact O-CB 3.19Å; L720-Q724 PolarHBondContact O-N 2.72Å |
| 721 | L | 85 | Confident | 85.8 | Confident | 94 Ų | 94 | 97.9 Ų | 97.9 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 176 | -73.4 | 171.7 | 0 | 0 | 0 | 112.2 | E717 N718 Q719 Q724 I725 | E717-L721 HydrophobicContact CG-CD1 4.49Å; E717-L721 WeakPolarHBondContact O-CG 3.35Å; E717-L721 PolarHBondContact O-N 3.15Å; N718-L721 PolarHBondContact O-N 2.88Å; Q719-L721 PolarHBondContact O-N 3.48Å; L721-Q724 PolarHBondContact O-N 2.88Å; L721-I725 VanDerWaalsContact O-CG1 3.26Å; L721-I725 WeakPolarHBondContact O-CG1 3.42Å; L721-I725 PolarHBondContact O-N 2.86Å |
| 722 | L | 85.4 | Confident | 86 | Confident | 117 Ų | 117 | 102 Ų | 102 | 61% | 0.613 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.3 | -41.1 | 175.6 | -76.7 | 170.1 | 0 | 0 | 0 | 112.2 | N718 Q719 I725 E726 | N718-L722 WeakPolarHBondContact O-CB 3.29Å; N718-L722 VanDerWaalsContact O-CG 3.29Å; N718-L722 WeakPolarHBondContact O-CG 3.39Å; N718-L722 PolarHBondContact O-N 2.96Å; Q719-L722 PolarHBondContact O-N 2.96Å; L722-I725 PolarHBondContact O-N 2.87Å; L722-E726 PolarHBondContact O-N 2.81Å |
| 723 | E | 85.9 | Confident | 86 | Confident | 120 Ų | 120 | 102.9 Ų | 102.9 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.8 | -44.5 | 173.6 | -76.7 | 178 | 177.9 | 0 | 0 | 111.4 | Q719 L720 I725 E726 Q727 | Q719-E723 PolarHBondContact O-N 3.4Å; L720-E723 PolarHBondContact O-N 3.5Å; E723-I725 PolarHBondContact O-N 3.28Å; E723-E726 PolarHBondContact O-N 2.98Å; E723-Q727 WeakPolarHBondContact O-CG 3.46Å; E723-Q727 PolarHBondContact O-N 2.88Å |
| 724 | Q | 86.8 | Confident | 86 | Confident | 86 Ų | 86 | 104.5 Ų | 104.5 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 175.9 | -174.4 | 60 | 45.1 | 0 | 0 | 111.9 | L720 L721 E726 Q727 D728 | L720-Q724 WeakPolarHBondContact O-CB 3.19Å; L720-Q724 PolarHBondContact O-N 2.72Å; L721-Q724 PolarHBondContact O-N 2.88Å; Q724-E726 VanDerWaalsContact C-N 3.33Å; Q724-E726 PolarHBondContact O-N 2.91Å; Q724-Q727 PolarHBondContact O-N 3.28Å; Q724-D728 PolarHBondContact NE2-OD1 3.48Å; Q724-D728 PolarHBondContact NE2-OD2 3.32Å; Q724-D728 PolarHBondContact O-N 3.42Å |
| 725 | I | 86.2 | Confident | 86 | Confident | 86 Ų | 86 | 105.3 Ų | 105.3 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 176.4 | -72.2 | 166.3 | 0 | 0 | 0 | 111.3 | L721 L722 E723 D728 K729 | L721-I725 VanDerWaalsContact O-CG1 3.26Å; L721-I725 WeakPolarHBondContact O-CG1 3.42Å; L721-I725 PolarHBondContact O-N 2.86Å; L722-I725 PolarHBondContact O-N 2.87Å; E723-I725 PolarHBondContact O-N 3.28Å; I725-D728 PolarHBondContact O-N 2.83Å; I725-K729 HydrophobicContact CG2-CD 4.3Å; I725-K729 WeakPolarHBondContact O-CB 3.38Å; I725-K729 WeakPolarHBondContact O-CG 3.27Å; I725-K729 PolarHBondContact O-N 3.36Å |
| 726 | E | 86.5 | Confident | 86.1 | Confident | 73 Ų | 73 | 107.2 Ų | 107.2 | 34% | 0.341 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.1 | -38.6 | 178.7 | -168.1 | 56.8 | -148.8 | 0 | 0 | 111.8 | L722 E723 Q724 D728 K729 Q730 R733 | L722-E726 PolarHBondContact O-N 2.81Å; E723-E726 PolarHBondContact O-N 2.98Å; Q724-E726 VanDerWaalsContact C-N 3.33Å; Q724-E726 PolarHBondContact O-N 2.91Å; E726-D728 VanDerWaalsContact C-N 3.35Å; E726-D728 PolarHBondContact O-N 3.37Å; E726-K729 PolarHBondContact O-N 3.48Å; E726-K729 WeakPolarHBondContact OE2-CD 3.39Å; E726-K729 IonicContact OE2-NZ 3.09Å; E726-Q730 WeakPolarHBondContact O-CG 3.45Å; E726-Q730 PolarHBondContact O-N 3.21Å; E726-R733 IonicContact OE1-CZ 3.4Å; E726-R733 IonicContact OE1-NH2 2.84Å; E726-R733 PolarHBondContact OE1-NH2 2.93Å |
| 727 | Q | 86.2 | Confident | 85.9 | Confident | 98 Ų | 98 | 106.8 Ų | 106.8 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 171.9 | -71 | -178 | 12 | 0 | 0 | 111.7 | E723 Q724 Q730 K731 | E723-Q727 WeakPolarHBondContact O-CG 3.46Å; E723-Q727 PolarHBondContact O-N 2.88Å; Q724-Q727 PolarHBondContact O-N 3.28Å; Q727-Q730 PolarHBondContact O-N 3.34Å; Q727-K731 WeakPolarHBondContact O-CG 3.34Å; Q727-K731 PolarHBondContact O-N 3.08Å |
| 728 | D | 86.3 | Confident | 85.9 | Confident | 74 Ų | 74 | 108.8 Ų | 108.8 | 40% | 0.396 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.1 | -35.2 | 178.5 | -71.5 | -21.2 | 0 | 0 | 0 | 111.9 | Q724 I725 E726 Q730 K731 R732 | Q724-D728 PolarHBondContact NE2-OD1 3.48Å; Q724-D728 PolarHBondContact NE2-OD2 3.32Å; Q724-D728 PolarHBondContact O-N 3.42Å; I725-D728 PolarHBondContact O-N 2.83Å; E726-D728 VanDerWaalsContact C-N 3.35Å; E726-D728 PolarHBondContact O-N 3.37Å; D728-Q730 VanDerWaalsContact C-N 3.35Å; D728-Q730 PolarHBondContact O-N 3.38Å; D728-K731 PolarHBondContact O-N 3.21Å; D728-K731 IonicContact OD1-NZ 3.71Å; D728-R732 WeakPolarHBondContact O-CB 3.44Å; D728-R732 PolarHBondContact O-N 3.37Å |
| 729 | K | 86.5 | Confident | 86 | Confident | 108 Ų | 108 | 109.3 Ų | 109.3 | 47% | 0.47 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 169.8 | -79.5 | 175.3 | -177.3 | 172.2 | 0 | 112 | I725 E726 R732 R733 | I725-K729 HydrophobicContact CG2-CD 4.3Å; I725-K729 WeakPolarHBondContact O-CB 3.38Å; I725-K729 WeakPolarHBondContact O-CG 3.27Å; I725-K729 PolarHBondContact O-N 3.36Å; E726-K729 PolarHBondContact O-N 3.48Å; E726-K729 WeakPolarHBondContact OE2-CD 3.39Å; E726-K729 IonicContact OE2-NZ 3.09Å; K729-R732 PolarHBondContact O-N 3.46Å; K729-R733 WeakPolarHBondContact O-CG 3.25Å; K729-R733 PolarHBondContact O-N 3.2Å |
| 730 | Q | 85.8 | Confident | 86.1 | Confident | 97 Ų | 97 | 109.1 Ų | 109.1 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 176.2 | -73.1 | -177.8 | 2.5 | 0 | 0 | 111.6 | E726 Q727 D728 R732 R733 Q734 | E726-Q730 WeakPolarHBondContact O-CG 3.45Å; E726-Q730 PolarHBondContact O-N 3.21Å; Q727-Q730 PolarHBondContact O-N 3.34Å; D728-Q730 VanDerWaalsContact C-N 3.35Å; D728-Q730 PolarHBondContact O-N 3.38Å; Q730-R732 VanDerWaalsContact C-N 3.27Å; Q730-R732 PolarHBondContact O-N 3.18Å; Q730-R733 PolarHBondContact O-N 3.45Å; Q730-Q734 WeakPolarHBondContact O-CG 3.35Å; Q730-Q734 PolarHBondContact O-N 3.28Å |
| 731 | K | 87.3 | Confident | 86 | Confident | 108 Ų | 108 | 107.8 Ų | 107.8 | 47% | 0.47 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.9 | -41.1 | 173.4 | -71 | 174.2 | -172.3 | 163.7 | 0 | 111.6 | Q727 D728 Q734 L735 | Q727-K731 WeakPolarHBondContact O-CG 3.34Å; Q727-K731 PolarHBondContact O-N 3.08Å; D728-K731 PolarHBondContact O-N 3.21Å; D728-K731 IonicContact OD1-NZ 3.71Å; K731-Q734 PolarHBondContact O-N 3.37Å; K731-L735 WeakPolarHBondContact O-CG 3.48Å; K731-L735 PolarHBondContact O-N 2.97Å |
| 732 | R | 86.5 | Confident | 86.2 | Confident | 172 Ų | 172 | 108.6 Ų | 108.6 | 65% | 0.649 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -43.6 | 177.5 | -149.7 | 177.1 | -160.3 | -134 | 7.7 | 112.2 | D728 K729 Q730 Q734 L735 E736 | D728-R732 WeakPolarHBondContact O-CB 3.44Å; D728-R732 PolarHBondContact O-N 3.37Å; K729-R732 PolarHBondContact O-N 3.46Å; Q730-R732 VanDerWaalsContact C-N 3.27Å; Q730-R732 PolarHBondContact O-N 3.18Å; R732-Q734 VanDerWaalsContact C-N 3.33Å; R732-Q734 PolarHBondContact O-N 3.36Å; R732-L735 PolarHBondContact O-N 3.14Å; R732-E736 WeakPolarHBondContact O-CB 3.2Å; R732-E736 WeakPolarHBondContact O-CG 3.32Å; R732-E736 PolarHBondContact O-N 3.31Å |
| 733 | R | 85.8 | Confident | 86.2 | Confident | 135 Ų | 135 | 106.6 Ų | 106.6 | 51% | 0.509 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -42 | 173.2 | -72.4 | -177.7 | -136.5 | 147.2 | 10.2 | 111.9 | E726 K729 Q730 E736 Q737 | E726-R733 IonicContact OE1-CZ 3.4Å; E726-R733 IonicContact OE1-NH2 2.84Å; E726-R733 PolarHBondContact OE1-NH2 2.93Å; K729-R733 WeakPolarHBondContact O-CG 3.25Å; K729-R733 PolarHBondContact O-N 3.2Å; Q730-R733 PolarHBondContact O-N 3.45Å; R733-E736 PolarHBondContact O-N 3.1Å; R733-Q737 WeakPolarHBondContact O-CB 3.5Å; R733-Q737 PolarHBondContact O-N 3.39Å |
| 734 | Q | 85.3 | Confident | 86.2 | Confident | 105 Ų | 105 | 106.4 Ų | 106.4 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.9 | -70.6 | 176 | -0.7 | 0 | 0 | 112 | Q730 K731 R732 Q737 R738 | Q730-Q734 WeakPolarHBondContact O-CG 3.35Å; Q730-Q734 PolarHBondContact O-N 3.28Å; K731-Q734 PolarHBondContact O-N 3.37Å; R732-Q734 VanDerWaalsContact C-N 3.33Å; R732-Q734 PolarHBondContact O-N 3.36Å; Q734-Q737 PolarHBondContact O-N 2.93Å; Q734-R738 WeakPolarHBondContact O-CG 3.31Å; Q734-R738 PolarHBondContact O-N 3.44Å |
| 735 | L | 84.7 | Confident | 86.3 | Confident | 96 Ų | 96 | 105.5 Ų | 105.5 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -43.5 | 175.4 | -74.4 | 169.9 | 0 | 0 | 0 | 111.9 | K731 R732 Q737 R738 I739 | K731-L735 WeakPolarHBondContact O-CG 3.48Å; K731-L735 PolarHBondContact O-N 2.97Å; R732-L735 PolarHBondContact O-N 3.14Å; L735-Q737 VanDerWaalsContact C-N 3.28Å; L735-Q737 PolarHBondContact O-N 3.01Å; L735-R738 PolarHBondContact O-N 3.24Å; L735-I739 WeakPolarHBondContact O-CG1 3.46Å; L735-I739 PolarHBondContact O-N 3.04Å |
| 736 | E | 85.8 | Confident | 86.4 | Confident | 110 Ų | 110 | 107.7 Ų | 107.7 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -41.8 | 174.1 | -78.9 | 169.6 | -176.1 | 0 | 0 | 111.3 | R732 R733 I739 Q740 | R732-E736 WeakPolarHBondContact O-CB 3.2Å; R732-E736 WeakPolarHBondContact O-CG 3.32Å; R732-E736 PolarHBondContact O-N 3.31Å; R733-E736 PolarHBondContact O-N 3.1Å; E736-I739 PolarHBondContact O-N 3.33Å; E736-Q740 WeakPolarHBondContact O-CB 3.25Å; E736-Q740 PolarHBondContact O-N 2.96Å |
| 737 | Q | 83.8 | Confident | 86.6 | Confident | 121 Ų | 121 | 108.8 Ų | 108.8 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.5 | -39.1 | 176.9 | -164.4 | 172.2 | 14.3 | 0 | 0 | 112.4 | R733 Q734 L735 Q740 N741 | R733-Q737 WeakPolarHBondContact O-CB 3.5Å; R733-Q737 PolarHBondContact O-N 3.39Å; Q734-Q737 PolarHBondContact O-N 2.93Å; L735-Q737 VanDerWaalsContact C-N 3.28Å; L735-Q737 PolarHBondContact O-N 3.01Å; Q737-Q740 PolarHBondContact O-N 3.42Å; Q737-N741 WeakPolarHBondContact O-CB 3.39Å; Q737-N741 PolarHBondContact O-N 3.33Å; Q737-N741 PolarHBondContact O-ND2 2.9Å |
| 738 | R | 86.5 | Confident | 86.7 | Confident | 156 Ų | 156 | 109.9 Ų | 109.9 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -47.8 | 173.6 | -74 | 178.2 | -172.5 | 177.8 | 3.2 | 111.6 | Q734 L735 Q740 N741 E742 | Q734-R738 WeakPolarHBondContact O-CG 3.31Å; Q734-R738 PolarHBondContact O-N 3.44Å; L735-R738 PolarHBondContact O-N 3.24Å; R738-Q740 VanDerWaalsContact C-N 3.3Å; R738-Q740 PolarHBondContact O-N 3.23Å; R738-N741 PolarHBondContact O-N 2.78Å; R738-N741 VanDerWaalsContact O-N 3.14Å; R738-E742 WeakPolarHBondContact O-CG 3.35Å; R738-E742 PolarHBondContact O-N 3.31Å |
| 739 | I | 85.9 | Confident | 86.9 | Confident | 106 Ų | 106 | 109.1 Ų | 109.1 | 54% | 0.544 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 176.9 | -68.4 | 168.1 | 0 | 0 | 0 | 110.7 | L735 E736 N741 E742 S743 | L735-I739 WeakPolarHBondContact O-CG1 3.46Å; L735-I739 PolarHBondContact O-N 3.04Å; E736-I739 PolarHBondContact O-N 3.33Å; I739-N741 VanDerWaalsContact C-N 3.34Å; I739-N741 PolarHBondContact O-N 2.84Å; I739-E742 PolarHBondContact O-N 3.46Å; I739-S743 VanDerWaalsContact O-CB 3.27Å; I739-S743 WeakPolarHBondContact O-CB 3.48Å; I739-S743 PolarHBondContact O-N 3.2Å |
| 740 | Q | 88 | Confident | 87 | Confident | 114 Ų | 114 | 109.2 Ų | 109.2 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 176.4 | -171.1 | 176.8 | 15.5 | 0 | 0 | 111.9 | E736 Q737 R738 K744 | E736-Q740 WeakPolarHBondContact O-CB 3.25Å; E736-Q740 PolarHBondContact O-N 2.96Å; Q737-Q740 PolarHBondContact O-N 3.42Å; R738-Q740 VanDerWaalsContact C-N 3.3Å; R738-Q740 PolarHBondContact O-N 3.23Å; Q740-K744 WeakPolarHBondContact O-CG 3.48Å; Q740-K744 PolarHBondContact O-N 3.28Å |
| 741 | N | 86.8 | Confident | 87.1 | Confident | 87 Ų | 87 | 107.9 Ų | 107.9 | 47% | 0.465 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 176.7 | -69 | -16.5 | 0 | 0 | 0 | 111.7 | Q737 R738 I739 K744 S745 | Q737-N741 WeakPolarHBondContact O-CB 3.39Å; Q737-N741 PolarHBondContact O-N 3.33Å; Q737-N741 PolarHBondContact O-ND2 2.9Å; R738-N741 PolarHBondContact O-N 2.78Å; R738-N741 VanDerWaalsContact O-N 3.14Å; I739-N741 VanDerWaalsContact C-N 3.34Å; I739-N741 PolarHBondContact O-N 2.84Å; N741-K744 PolarHBondContact O-N 2.86Å; N741-S745 WeakPolarHBondContact O-CB 3.39Å; N741-S745 PolarHBondContact O-N 3.35Å |
| 742 | E | 87.5 | Confident | 87.3 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 174.3 | -73.6 | 171.8 | -170.8 | 0 | 0 | 111.2 | R738 I739 K744 S745 H746 | R738-E742 WeakPolarHBondContact O-CG 3.35Å; R738-E742 PolarHBondContact O-N 3.31Å; I739-E742 PolarHBondContact O-N 3.46Å; E742-K744 VanDerWaalsContact C-N 3.34Å; E742-K744 PolarHBondContact O-N 3.25Å; E742-S745 PolarHBondContact O-N 3.5Å; E742-H746 WeakPolarHBondContact O-CB 3.47Å; E742-H746 PolarHBondContact O-CD2 3.33Å; E742-H746 PolarHBondContact O-N 2.89Å |
| 743 | S | 86 | Confident | 87.4 | Confident | 75 Ų | 75 | 103.3 Ų | 103.3 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -39.9 | 176.3 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | I739 E747 | I739-S743 VanDerWaalsContact O-CB 3.27Å; I739-S743 WeakPolarHBondContact O-CB 3.48Å; I739-S743 PolarHBondContact O-N 3.2Å; S743-E747 PolarHBondContact O-N 3.46Å |
| 744 | K | 87.3 | Confident | 87.5 | Confident | 117 Ų | 117 | 100.6 Ų | 100.6 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 173.8 | -77 | 178.9 | 179.2 | -179.8 | 0 | 111.5 | Q740 N741 E742 H746 E747 E748 | Q740-K744 WeakPolarHBondContact O-CG 3.48Å; Q740-K744 PolarHBondContact O-N 3.28Å; N741-K744 PolarHBondContact O-N 2.86Å; E742-K744 VanDerWaalsContact C-N 3.34Å; E742-K744 PolarHBondContact O-N 3.25Å; K744-H746 VanDerWaalsContact C-N 3.32Å; K744-H746 PolarHBondContact O-N 3.43Å; K744-E747 PolarHBondContact O-N 3.47Å; K744-E747 VanDerWaalsContact O-N 3.14Å; K744-E748 WeakPolarHBondContact O-CG 3.48Å; K744-E748 PolarHBondContact O-N 3.37Å |
| 745 | S | 88.9 | Confident | 87.6 | Confident | 67 Ų | 67 | 100.6 Ų | 100.6 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -39 | 178.1 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | N741 E742 E748 S749 | N741-S745 WeakPolarHBondContact O-CB 3.39Å; N741-S745 PolarHBondContact O-N 3.35Å; E742-S745 PolarHBondContact O-N 3.5Å; S745-E748 PolarHBondContact O-N 2.92Å; S745-S749 WeakPolarHBondContact O-CB 3.36Å; S745-S749 PolarHBondContact O-N 2.98Å |
| 746 | H | 87.8 | Confident | 87.9 | Confident | 131 Ų | 131 | 100.9 Ų | 100.9 | 61% | 0.606 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | 173.3 | -77.6 | -52.8 | 0 | 0 | 0 | 112.4 | E742 K744 S749 K750 | E742-H746 WeakPolarHBondContact O-CB 3.47Å; E742-H746 PolarHBondContact O-CD2 3.33Å; E742-H746 PolarHBondContact O-N 2.89Å; K744-H746 VanDerWaalsContact C-N 3.32Å; K744-H746 PolarHBondContact O-N 3.43Å; H746-S749 PolarHBondContact O-N 3.19Å; H746-K750 WeakPolarHBondContact O-CB 3.32Å; H746-K750 PolarHBondContact O-N 3.43Å |
| 747 | E | 89.5 | Confident | 88.1 | Confident | 97 Ų | 97 | 100.2 Ų | 100.2 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 176 | -158.1 | 62.4 | -152.8 | 0 | 0 | 111.9 | S743 K744 K750 T751 | S743-E747 PolarHBondContact O-N 3.46Å; K744-E747 PolarHBondContact O-N 3.47Å; K744-E747 VanDerWaalsContact O-N 3.14Å; E747-K750 PolarHBondContact O-N 2.85Å; E747-K750 IonicContact OE1-NZ 3.03Å; E747-K750 PolarHBondContact OE1-NZ 2.89Å; E747-K750 IonicContact OE2-NZ 3.4Å; E747-K750 PolarHBondContact OE2-NZ 3.44Å; E747-T751 WeakPolarHBondContact O-CG2 3.48Å; E747-T751 PolarHBondContact O-N 3.41Å; E747-T751 PolarHBondContact O-OG1 3.32Å |
| 748 | E | 88.1 | Confident | 88.2 | Confident | 120 Ų | 120 | 97.6 Ų | 97.6 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.5 | -46.1 | 170.2 | -73 | 171.3 | -173.6 | 0 | 0 | 111.6 | K744 S745 K750 T751 I752 | K744-E748 WeakPolarHBondContact O-CG 3.48Å; K744-E748 PolarHBondContact O-N 3.37Å; S745-E748 PolarHBondContact O-N 2.92Å; E748-K750 VanDerWaalsContact C-N 3.34Å; E748-K750 PolarHBondContact O-N 3.34Å; E748-T751 VanDerWaalsContact CA-OG1 3.3Å; E748-T751 WeakPolarHBondContact CA-OG1 3.36Å; E748-T751 PolarHBondContact O-N 2.91Å; E748-T751 PolarHBondContact O-OG1 3.33Å; E748-I752 VanDerWaalsContact O-CG1 3.28Å; E748-I752 WeakPolarHBondContact O-CG1 3.43Å; E748-I752 PolarHBondContact O-N 3.08Å |
| 749 | S | 90.5 | Very high | 88.4 | Confident | 58 Ų | 58 | 94.8 Ų | 94.8 | 41% | 0.406 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 177.7 | -162.3 | 0 | 0 | 0 | 0 | 111.7 | S745 H746 I752 L753 | S745-S749 WeakPolarHBondContact O-CB 3.36Å; S745-S749 PolarHBondContact O-N 2.98Å; H746-S749 PolarHBondContact O-N 3.19Å; S749-I752 PolarHBondContact O-N 3.13Å; S749-L753 WeakPolarHBondContact O-CB 3.37Å; S749-L753 WeakPolarHBondContact O-CG 3.5Å; S749-L753 PolarHBondContact O-N 2.96Å |
| 750 | K | 89.9 | Confident | 88.6 | Confident | 111 Ų | 111 | 94.8 Ų | 94.8 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 174.7 | 178.5 | -178.5 | 161.5 | -146.8 | 0 | 111.8 | H746 E747 E748 L753 T754 | H746-K750 WeakPolarHBondContact O-CB 3.32Å; H746-K750 PolarHBondContact O-N 3.43Å; E747-K750 PolarHBondContact O-N 2.85Å; E747-K750 IonicContact OE1-NZ 3.03Å; E747-K750 PolarHBondContact OE1-NZ 2.89Å; E747-K750 IonicContact OE2-NZ 3.4Å; E747-K750 PolarHBondContact OE2-NZ 3.44Å; E748-K750 VanDerWaalsContact C-N 3.34Å; E748-K750 PolarHBondContact O-N 3.34Å; K750-L753 PolarHBondContact O-N 3.41Å; K750-T754 VanDerWaalsContact O-CB 3.31Å; K750-T754 WeakPolarHBondContact O-CB 3.44Å; K750-T754 PolarHBondContact O-N 2.8Å; K750-T754 PolarHBondContact O-OG1 3.39Å |
| 751 | T | 88 | Confident | 88.6 | Confident | 68 Ų | 68 | 94 Ų | 94 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 175.8 | 44.4 | 0 | 0 | 0 | 0 | 111.4 | E747 E748 T754 N755 | E747-T751 WeakPolarHBondContact O-CG2 3.48Å; E747-T751 PolarHBondContact O-N 3.41Å; E747-T751 PolarHBondContact O-OG1 3.32Å; E748-T751 VanDerWaalsContact CA-OG1 3.3Å; E748-T751 WeakPolarHBondContact CA-OG1 3.36Å; E748-T751 PolarHBondContact O-N 2.91Å; E748-T751 PolarHBondContact O-OG1 3.33Å; T751-T754 PolarHBondContact O-N 2.97Å; T751-N755 VanDerWaalsContact O-CG 3.22Å; T751-N755 PolarHBondContact O-N 3.3Å; T751-N755 PolarHBondContact O-ND2 2.99Å |
| 752 | I | 90.2 | Very high | 88.7 | Confident | 94 Ų | 94 | 93.3 Ų | 93.3 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -49.8 | 173 | -67.1 | 164.9 | 0 | 0 | 0 | 111.2 | E748 S749 T754 N755 Q756 | E748-I752 VanDerWaalsContact O-CG1 3.28Å; E748-I752 WeakPolarHBondContact O-CG1 3.43Å; E748-I752 PolarHBondContact O-N 3.08Å; S749-I752 PolarHBondContact O-N 3.13Å; I752-T754 VanDerWaalsContact C-N 3.32Å; I752-T754 PolarHBondContact O-N 3.47Å; I752-N755 PolarHBondContact O-N 3.41Å; I752-Q756 WeakPolarHBondContact O-CG 3.45Å; I752-Q756 PolarHBondContact O-N 3.26Å |
| 753 | L | 88.4 | Confident | 88.9 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 179 | -73.4 | 170.1 | 0 | 0 | 0 | 111.9 | S749 K750 N755 Q756 I757 | S749-L753 WeakPolarHBondContact O-CB 3.37Å; S749-L753 WeakPolarHBondContact O-CG 3.5Å; S749-L753 PolarHBondContact O-N 2.96Å; K750-L753 PolarHBondContact O-N 3.41Å; L753-N755 VanDerWaalsContact C-N 3.33Å; L753-N755 PolarHBondContact O-N 3.25Å; L753-Q756 PolarHBondContact O-N 2.88Å; L753-I757 WeakPolarHBondContact O-CB 3.4Å; L753-I757 VanDerWaalsContact O-CG1 3.29Å; L753-I757 WeakPolarHBondContact O-CG1 3.32Å; L753-I757 PolarHBondContact O-N 2.88Å |
| 754 | T | 88.9 | Confident | 89 | Confident | 79 Ų | 79 | 94.9 Ų | 94.9 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.9 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | K750 T751 I752 I757 S758 | K750-T754 VanDerWaalsContact O-CB 3.31Å; K750-T754 WeakPolarHBondContact O-CB 3.44Å; K750-T754 PolarHBondContact O-N 2.8Å; K750-T754 PolarHBondContact O-OG1 3.39Å; T751-T754 PolarHBondContact O-N 2.97Å; I752-T754 VanDerWaalsContact C-N 3.32Å; I752-T754 PolarHBondContact O-N 3.47Å; T754-I757 PolarHBondContact O-N 3.44Å; T754-S758 PolarHBondContact O-N 3.28Å |
| 755 | N | 88 | Confident | 89.1 | Confident | 104 Ų | 104 | 93.6 Ų | 93.6 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 175.5 | -68.1 | -16.3 | 0 | 0 | 0 | 111.7 | T751 I752 L753 I757 S758 D759 | T751-N755 VanDerWaalsContact O-CG 3.22Å; T751-N755 PolarHBondContact O-N 3.3Å; T751-N755 PolarHBondContact O-ND2 2.99Å; I752-N755 PolarHBondContact O-N 3.41Å; L753-N755 VanDerWaalsContact C-N 3.33Å; L753-N755 PolarHBondContact O-N 3.25Å; N755-I757 PolarHBondContact O-N 2.83Å; N755-S758 WeakPolarHBondContact O-CB 3.49Å; N755-S758 PolarHBondContact O-N 2.84Å; N755-D759 PolarHBondContact O-N 3.34Å |
| 756 | Q | 90.7 | Very high | 89.1 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 175.7 | -73.4 | 177.9 | -7.3 | 0 | 0 | 112.6 | I752 L753 S758 D759 L760 | I752-Q756 WeakPolarHBondContact O-CG 3.45Å; I752-Q756 PolarHBondContact O-N 3.26Å; L753-Q756 PolarHBondContact O-N 2.88Å; Q756-S758 VanDerWaalsContact C-N 3.33Å; Q756-D759 PolarHBondContact O-N 3.3Å; Q756-L760 WeakPolarHBondContact O-CB 3.49Å; Q756-L760 WeakPolarHBondContact O-CG 3.41Å; Q756-L760 PolarHBondContact O-N 3.49Å |
| 757 | I | 88.6 | Confident | 89 | Confident | 97 Ų | 97 | 92 Ų | 92 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 174.3 | -71.1 | 166.9 | 0 | 0 | 0 | 110.1 | L753 T754 N755 D759 L760 N761 | L753-I757 WeakPolarHBondContact O-CB 3.4Å; L753-I757 VanDerWaalsContact O-CG1 3.29Å; L753-I757 WeakPolarHBondContact O-CG1 3.32Å; L753-I757 PolarHBondContact O-N 2.88Å; T754-I757 PolarHBondContact O-N 3.44Å; N755-I757 PolarHBondContact O-N 2.83Å; I757-D759 PolarHBondContact O-N 2.8Å; I757-L760 PolarHBondContact O-N 3.42Å; I757-N761 VanDerWaalsContact O-CB 3.31Å; I757-N761 WeakPolarHBondContact O-CB 3.34Å; I757-N761 VanDerWaalsContact O-CG 3.23Å; I757-N761 PolarHBondContact O-N 3.31Å; I757-N761 PolarHBondContact O-ND2 3.3Å |
| 758 | S | 87.7 | Confident | 88.9 | Confident | 65 Ų | 65 | 92.8 Ų | 92.8 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.1 | -46 | 174.8 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | T754 N755 Q756 N761 T762 | T754-S758 PolarHBondContact O-N 3.28Å; N755-S758 WeakPolarHBondContact O-CB 3.49Å; N755-S758 PolarHBondContact O-N 2.84Å; Q756-S758 VanDerWaalsContact C-N 3.33Å; S758-N761 PolarHBondContact O-N 3.36Å; S758-T762 WeakPolarHBondContact O-CB 3.29Å; S758-T762 PolarHBondContact O-N 3.35Å; S758-T762 PolarHBondContact O-OG1 2.65Å |
| 759 | D | 89.9 | Confident | 88.9 | Confident | 97 Ų | 97 | 92.2 Ų | 92.2 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 177.3 | -83.5 | -2.2 | 0 | 0 | 0 | 112.5 | N755 Q756 I757 T762 K763 | N755-D759 PolarHBondContact O-N 3.34Å; Q756-D759 PolarHBondContact O-N 3.3Å; I757-D759 PolarHBondContact O-N 2.8Å; D759-T762 PolarHBondContact O-N 3.35Å; D759-K763 WeakPolarHBondContact O-CG 3.42Å; D759-K763 PolarHBondContact O-N 3.14Å |
| 760 | L | 89.1 | Confident | 88.7 | Confident | 106 Ų | 106 | 98.1 Ų | 98.1 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -43.3 | 177 | -76.2 | 172.5 | 0 | 0 | 0 | 111.4 | Q756 I757 T762 K763 L764 | Q756-L760 WeakPolarHBondContact O-CB 3.49Å; Q756-L760 WeakPolarHBondContact O-CG 3.41Å; Q756-L760 PolarHBondContact O-N 3.49Å; I757-L760 PolarHBondContact O-N 3.42Å; L760-T762 VanDerWaalsContact C-N 3.28Å; L760-T762 PolarHBondContact O-N 2.89Å; L760-K763 PolarHBondContact O-N 2.95Å; L760-L764 VanDerWaalsContact O-CB 3.26Å; L760-L764 WeakPolarHBondContact O-CB 3.44Å; L760-L764 PolarHBondContact O-N 3.46Å |
| 761 | N | 89.7 | Confident | 88.5 | Confident | 98 Ų | 98 | 97.6 Ų | 97.6 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 174.1 | -75.9 | -23 | 0 | 0 | 0 | 111.3 | I757 S758 L764 Y765 | I757-N761 VanDerWaalsContact O-CB 3.31Å; I757-N761 WeakPolarHBondContact O-CB 3.34Å; I757-N761 VanDerWaalsContact O-CG 3.23Å; I757-N761 PolarHBondContact O-N 3.31Å; I757-N761 PolarHBondContact O-ND2 3.3Å; S758-N761 PolarHBondContact O-N 3.36Å; N761-L764 PolarHBondContact O-N 3.49Å; N761-Y765 WeakPolarHBondContact O-CB 3.43Å; N761-Y765 PolarHBondContact O-N 3.41Å |
| 762 | T | 88.3 | Confident | 88.4 | Confident | 73 Ų | 73 | 99.2 Ų | 99.2 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 175.5 | -53 | 0 | 0 | 0 | 0 | 111.6 | S758 D759 L760 N766 | S758-T762 WeakPolarHBondContact O-CB 3.29Å; S758-T762 PolarHBondContact O-N 3.35Å; S758-T762 PolarHBondContact O-OG1 2.65Å; D759-T762 PolarHBondContact O-N 3.35Å; L760-T762 VanDerWaalsContact C-N 3.28Å; L760-T762 PolarHBondContact O-N 2.89Å; T762-N766 WeakPolarHBondContact O-CB 3.43Å; T762-N766 VanDerWaalsContact O-CG 3.24Å; T762-N766 PolarHBondContact O-N 2.97Å; T762-N766 PolarHBondContact O-ND2 2.94Å; T762-N766 VanDerWaalsContact O-ND2 3.15Å |
| 763 | K | 90.8 | Very high | 88.2 | Confident | 130 Ų | 130 | 99.1 Ų | 99.1 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 174.7 | -74.2 | 171.2 | -177 | 171.9 | 0 | 111.7 | D759 L760 N766 T767 | D759-K763 WeakPolarHBondContact O-CG 3.42Å; D759-K763 PolarHBondContact O-N 3.14Å; L760-K763 PolarHBondContact O-N 2.95Å; K763-N766 WeakPolarHBondContact O-CB 3.49Å; K763-N766 PolarHBondContact O-N 2.95Å; K763-T767 WeakPolarHBondContact O-CG2 3.45Å; K763-T767 PolarHBondContact O-N 3.39Å; K763-T767 PolarHBondContact O-OG1 3.44Å |
| 764 | L | 88.3 | Confident | 88 | Confident | 88 Ų | 88 | 98.6 Ų | 98.6 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | -179.9 | -161 | 151.2 | 0 | 0 | 0 | 110.2 | L760 N761 N766 T767 E768 | L760-L764 VanDerWaalsContact O-CB 3.26Å; L760-L764 WeakPolarHBondContact O-CB 3.44Å; L760-L764 PolarHBondContact O-N 3.46Å; N761-L764 PolarHBondContact O-N 3.49Å; L764-N766 VanDerWaalsContact C-N 3.33Å; L764-N766 PolarHBondContact O-N 3.3Å; L764-T767 VanDerWaalsContact CA-OG1 3.3Å; L764-T767 WeakPolarHBondContact CA-OG1 3.41Å; L764-T767 PolarHBondContact O-N 2.88Å; L764-T767 VanDerWaalsContact O-N 3.14Å; L764-T767 PolarHBondContact O-OG1 3.36Å; L764-E768 VanDerWaalsContact CD2-CD 3.43Å; L764-E768 HydrophobicContact CD2-CG 3.99Å; L764-E768 WeakPolarHBondContact CD2-OE1 3.49Å; L764-E768 WeakPolarHBondContact O-CG 3.37Å; L764-E768 PolarHBondContact O-N 3.4Å |
| 765 | Y | 90.1 | Very high | 87.8 | Confident | 91 Ų | 91 | 99.9 Ų | 99.9 | 36% | 0.357 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -56 | -44.4 | 171.9 | 179.7 | -101.2 | 0 | 0 | 0 | 112.5 | N761 E768 K769 L827 | N761-Y765 WeakPolarHBondContact O-CB 3.43Å; N761-Y765 PolarHBondContact O-N 3.41Å; Y765-E768 PolarHBondContact O-N 3.48Å; Y765-K769 WeakPolarHBondContact O-CB 3.34Å; Y765-K769 PolarHBondContact O-N 2.96Å; Y765-L827 WeakPolarHBondContact OH-CD2 3.41Å |
| 766 | N | 87.9 | Confident | 87.6 | Confident | 82 Ų | 82 | 98.2 Ų | 98.2 | 44% | 0.439 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67 | -35.8 | 177.3 | -72.8 | -30.3 | 0 | 0 | 0 | 112.9 | T762 K763 L764 R770 | T762-N766 WeakPolarHBondContact O-CB 3.43Å; T762-N766 VanDerWaalsContact O-CG 3.24Å; T762-N766 PolarHBondContact O-N 2.97Å; T762-N766 PolarHBondContact O-ND2 2.94Å; T762-N766 VanDerWaalsContact O-ND2 3.15Å; K763-N766 WeakPolarHBondContact O-CB 3.49Å; K763-N766 PolarHBondContact O-N 2.95Å; L764-N766 VanDerWaalsContact C-N 3.33Å; L764-N766 PolarHBondContact O-N 3.3Å; N766-R770 PolarHBondContact O-N 2.93Å |
| 767 | T | 86 | Confident | 87.3 | Confident | 83 Ų | 83 | 100 Ų | 100 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -71.6 | -39.7 | 175.7 | 49.4 | 0 | 0 | 0 | 0 | 112.1 | K763 L764 K769 R770 L771 | K763-T767 WeakPolarHBondContact O-CG2 3.45Å; K763-T767 PolarHBondContact O-N 3.39Å; K763-T767 PolarHBondContact O-OG1 3.44Å; L764-T767 VanDerWaalsContact CA-OG1 3.3Å; L764-T767 WeakPolarHBondContact CA-OG1 3.41Å; L764-T767 PolarHBondContact O-N 2.88Å; L764-T767 VanDerWaalsContact O-N 3.14Å; L764-T767 PolarHBondContact O-OG1 3.36Å; T767-K769 VanDerWaalsContact C-N 3.33Å; T767-R770 PolarHBondContact O-N 3.5Å; T767-L771 WeakPolarHBondContact O-CB 3.49Å; T767-L771 PolarHBondContact O-N 2.78Å |
| 768 | E | 87.8 | Confident | 87.1 | Confident | 113 Ų | 113 | 102.7 Ų | 102.7 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 173.4 | -74.6 | 177.1 | 159.1 | 0 | 0 | 110.6 | L764 Y765 R770 L771 H772 | L764-E768 VanDerWaalsContact CD2-CD 3.43Å; L764-E768 HydrophobicContact CD2-CG 3.99Å; L764-E768 WeakPolarHBondContact CD2-OE1 3.49Å; L764-E768 WeakPolarHBondContact O-CG 3.37Å; L764-E768 PolarHBondContact O-N 3.4Å; Y765-E768 PolarHBondContact O-N 3.48Å; E768-R770 PolarHBondContact O-N 3.19Å; E768-L771 PolarHBondContact O-N 3.42Å; E768-H772 WeakPolarHBondContact O-CB 3.48Å; E768-H772 PolarHBondContact O-N 3.28Å |
| 769 | K | 88.2 | Confident | 86.9 | Confident | 108 Ų | 108 | 106.3 Ų | 106.3 | 47% | 0.47 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 174.1 | -175.5 | 178.8 | 176.3 | -177.3 | 0 | 111.9 | Y765 T767 H772 E773 | Y765-K769 WeakPolarHBondContact O-CB 3.34Å; Y765-K769 PolarHBondContact O-N 2.96Å; T767-K769 VanDerWaalsContact C-N 3.33Å; K769-H772 PolarHBondContact O-N 3.21Å; K769-E773 VanDerWaalsContact CE-OE1 3.25Å; K769-E773 WeakPolarHBondContact CE-OE1 3.47Å; K769-E773 WeakPolarHBondContact O-CG 3.47Å; K769-E773 PolarHBondContact O-N 2.98Å |
| 770 | R | 86 | Confident | 86.6 | Confident | 181 Ų | 181 | 106.3 Ų | 106.3 | 68% | 0.683 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -40.7 | 176.5 | -84.9 | -177.6 | 163.4 | 172.2 | -3.3 | 112.6 | N766 T767 E768 H772 E773 T774 | N766-R770 PolarHBondContact O-N 2.93Å; T767-R770 PolarHBondContact O-N 3.5Å; E768-R770 PolarHBondContact O-N 3.19Å; R770-H772 VanDerWaalsContact C-N 3.33Å; R770-E773 PolarHBondContact O-N 2.82Å; R770-T774 WeakPolarHBondContact O-CG2 3.46Å; R770-T774 PolarHBondContact O-N 3.42Å; R770-T774 PolarHBondContact O-OG1 3.45Å |
| 771 | L | 86.6 | Confident | 86.2 | Confident | 101 Ų | 101 | 103.8 Ų | 103.8 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -48.5 | 176.6 | -170.2 | 82.6 | 0 | 0 | 0 | 109.7 | T767 E768 E773 T774 E775 | T767-L771 WeakPolarHBondContact O-CB 3.49Å; T767-L771 PolarHBondContact O-N 2.78Å; E768-L771 PolarHBondContact O-N 3.42Å; L771-E773 VanDerWaalsContact C-N 3.34Å; L771-E773 PolarHBondContact O-N 3.46Å; L771-T774 WeakPolarHBondContact CA-OG1 3.33Å; L771-T774 CarbonylContact O-C 3.56Å; L771-T774 PolarHBondContact O-N 3.08Å; L771-T774 VanDerWaalsContact O-N 3.1Å; L771-T774 PolarHBondContact O-OG1 3.47Å; L771-E775 WeakPolarHBondContact O-CG 3.49Å; L771-E775 PolarHBondContact O-N 3.46Å |
| 772 | H | 86.1 | Confident | 85.9 | Confident | 101 Ų | 101 | 104.7 Ų | 104.7 | 47% | 0.468 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 177.3 | -168 | 60 | 0 | 0 | 0 | 112.5 | E768 K769 R770 N776 | E768-H772 WeakPolarHBondContact O-CB 3.48Å; E768-H772 PolarHBondContact O-N 3.28Å; K769-H772 PolarHBondContact O-N 3.21Å; R770-H772 VanDerWaalsContact C-N 3.33Å; H772-N776 PolarHBondContact NE2-ND2 2.75Å; H772-N776 WeakPolarHBondContact O-CB 3.33Å; H772-N776 VanDerWaalsContact O-CG 3.29Å; H772-N776 PolarHBondContact O-N 3.06Å; H772-N776 PolarHBondContact O-ND2 2.93Å; H772-N776 VanDerWaalsContact O-ND2 3.17Å |
| 773 | E | 85.1 | Confident | 85.7 | Confident | 93 Ų | 93 | 105.6 Ų | 105.6 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 172.3 | -73.1 | 167.4 | -176.6 | 0 | 0 | 111.9 | K769 R770 L771 Q777 | K769-E773 VanDerWaalsContact CE-OE1 3.25Å; K769-E773 WeakPolarHBondContact CE-OE1 3.47Å; K769-E773 WeakPolarHBondContact O-CG 3.47Å; K769-E773 PolarHBondContact O-N 2.98Å; R770-E773 PolarHBondContact O-N 2.82Å; L771-E773 VanDerWaalsContact C-N 3.34Å; L771-E773 PolarHBondContact O-N 3.46Å; E773-Q777 WeakPolarHBondContact O-CG 3.39Å; E773-Q777 PolarHBondContact O-N 3.42Å |
| 774 | T | 83.4 | Confident | 85.2 | Confident | 79 Ų | 79 | 107.1 Ų | 107.1 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 177.6 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | R770 L771 N776 Q777 F778 | R770-T774 WeakPolarHBondContact O-CG2 3.46Å; R770-T774 PolarHBondContact O-N 3.42Å; R770-T774 PolarHBondContact O-OG1 3.45Å; L771-T774 WeakPolarHBondContact CA-OG1 3.33Å; L771-T774 CarbonylContact O-C 3.56Å; L771-T774 PolarHBondContact O-N 3.08Å; L771-T774 VanDerWaalsContact O-N 3.1Å; L771-T774 PolarHBondContact O-OG1 3.47Å; T774-N776 VanDerWaalsContact C-N 3.34Å; T774-Q777 PolarHBondContact O-N 2.98Å; T774-F778 WeakPolarHBondContact O-CB 3.42Å; T774-F778 PolarHBondContact O-N 3.49Å |
| 775 | E | 85.7 | Confident | 84.7 | Confident | 106 Ų | 106 | 105.8 Ų | 105.8 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 173.6 | -77.1 | 176.3 | 167.4 | 0 | 0 | 110.5 | L771 Q777 F778 Y779 | L771-E775 WeakPolarHBondContact O-CG 3.49Å; L771-E775 PolarHBondContact O-N 3.46Å; E775-Q777 VanDerWaalsContact C-N 3.34Å; E775-Q777 PolarHBondContact O-N 3.4Å; E775-F778 PolarHBondContact O-N 2.95Å; E775-Y779 WeakPolarHBondContact O-CB 3.26Å; E775-Y779 PolarHBondContact O-N 3.4Å |
| 776 | N | 84.2 | Confident | 84.2 | Confident | 68 Ų | 68 | 107 Ų | 107 | 36% | 0.364 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -39.7 | 175.2 | -76 | -30.8 | 0 | 0 | 0 | 112.1 | H772 T774 L780 | H772-N776 PolarHBondContact NE2-ND2 2.75Å; H772-N776 WeakPolarHBondContact O-CB 3.33Å; H772-N776 VanDerWaalsContact O-CG 3.29Å; H772-N776 PolarHBondContact O-N 3.06Å; H772-N776 PolarHBondContact O-ND2 2.93Å; H772-N776 VanDerWaalsContact O-ND2 3.17Å; T774-N776 VanDerWaalsContact C-N 3.34Å; N776-L780 WeakPolarHBondContact O-CB 3.32Å; N776-L780 WeakPolarHBondContact O-CG 3.49Å; N776-L780 PolarHBondContact O-N 3.45Å; N776-L780 VanDerWaalsContact O-N 3.09Å |
| 777 | Q | 84.8 | Confident | 83.8 | Confident | 140 Ų | 140 | 108.8 Ų | 108.8 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.4 | -39.1 | 173.7 | -74.4 | -168.8 | 18 | 0 | 0 | 112.5 | E773 T774 E775 L780 A781 | E773-Q777 WeakPolarHBondContact O-CG 3.39Å; E773-Q777 PolarHBondContact O-N 3.42Å; T774-Q777 PolarHBondContact O-N 2.98Å; E775-Q777 VanDerWaalsContact C-N 3.34Å; E775-Q777 PolarHBondContact O-N 3.4Å; Q777-L780 PolarHBondContact O-N 3.14Å; Q777-A781 WeakPolarHBondContact O-CB 3.38Å; Q777-A781 PolarHBondContact O-N 3.23Å |
| 778 | F | 82.5 | Confident | 83.3 | Confident | 153 Ų | 153 | 107.6 Ų | 107.6 | 67% | 0.671 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.2 | -45.1 | 178.5 | -144.6 | -82 | 0 | 0 | 0 | 110.8 | T774 E775 L780 A781 E782 | T774-F778 WeakPolarHBondContact O-CB 3.42Å; T774-F778 PolarHBondContact O-N 3.49Å; E775-F778 PolarHBondContact O-N 2.95Å; F778-L780 VanDerWaalsContact C-N 3.33Å; F778-L780 PolarHBondContact O-N 2.87Å; F778-A781 CarbonylContact O-C 3.59Å; F778-A781 PolarHBondContact O-N 2.72Å; F778-A781 VanDerWaalsContact O-N 3.11Å; F778-E782 WeakPolarHBondContact O-CB 3.36Å; F778-E782 PolarHBondContact O-N 3.28Å |
| 779 | Y | 85 | Confident | 82.7 | Confident | 142 Ų | 142 | 105.9 Ų | 105.9 | 56% | 0.557 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.5 | -43.1 | 174.8 | -176.2 | -100.5 | 0 | 0 | 0 | 112.1 | E775 E782 Q783 | E775-Y779 WeakPolarHBondContact O-CB 3.26Å; E775-Y779 PolarHBondContact O-N 3.4Å; Y779-E782 PolarHBondContact O-N 2.97Å; Y779-Q783 HydrophobicContact CE1-CG 4.38Å; Y779-Q783 PolarHBondContact O-N 3.41Å; Y779-Q783 PolarHBondContact OH-NE2 3.11Å |
| 780 | L | 83.8 | Confident | 82.2 | Confident | 96 Ų | 96 | 106.2 Ų | 106.2 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.9 | -37.4 | 174.3 | -77.1 | 166.4 | 0 | 0 | 0 | 112.9 | N776 Q777 F778 K784 | N776-L780 WeakPolarHBondContact O-CB 3.32Å; N776-L780 WeakPolarHBondContact O-CG 3.49Å; N776-L780 PolarHBondContact O-N 3.45Å; N776-L780 VanDerWaalsContact O-N 3.09Å; Q777-L780 PolarHBondContact O-N 3.14Å; F778-L780 VanDerWaalsContact C-N 3.33Å; F778-L780 PolarHBondContact O-N 2.87Å; L780-K784 WeakPolarHBondContact O-CG 3.28Å; L780-K784 PolarHBondContact O-N 3.27Å; L780-K784 VanDerWaalsContact O-N 3.17Å |
| 781 | A | 80.4 | Confident | 81.7 | Confident | 54 Ų | 54 | 104.6 Ų | 104.6 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -70.2 | -38.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q777 F778 K784 A785 | Q777-A781 WeakPolarHBondContact O-CB 3.38Å; Q777-A781 PolarHBondContact O-N 3.23Å; F778-A781 CarbonylContact O-C 3.59Å; F778-A781 PolarHBondContact O-N 2.72Å; F778-A781 VanDerWaalsContact O-N 3.11Å; A781-K784 PolarHBondContact O-N 3.48Å; A781-A785 WeakPolarHBondContact O-CB 3.49Å; A781-A785 PolarHBondContact O-N 3.37Å |
| 782 | E | 83.9 | Confident | 80.9 | Confident | 116 Ų | 116 | 102.2 Ų | 102.2 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 176.4 | -172.3 | 167.3 | -152.1 | 0 | 0 | 110.9 | F778 Y779 K784 A785 E786 | F778-E782 WeakPolarHBondContact O-CB 3.36Å; F778-E782 PolarHBondContact O-N 3.28Å; Y779-E782 PolarHBondContact O-N 2.97Å; E782-K784 VanDerWaalsContact C-N 3.29Å; E782-K784 PolarHBondContact O-N 3.37Å; E782-A785 PolarHBondContact O-N 3.11Å; E782-A785 VanDerWaalsContact O-N 3.14Å; E782-E786 WeakPolarHBondContact O-CB 3.28Å; E782-E786 PolarHBondContact O-N 3.43Å |
| 783 | Q | 82.6 | Confident | 80.4 | Confident | 93 Ų | 93 | 104.3 Ų | 104.3 | 44% | 0.435 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -55.9 | -43.4 | 171.6 | -82.4 | -167.3 | 4.8 | 0 | 0 | 112 | Y779 E786 L787 | Y779-Q783 HydrophobicContact CE1-CG 4.38Å; Y779-Q783 PolarHBondContact O-N 3.41Å; Y779-Q783 PolarHBondContact OH-NE2 3.11Å; Q783-E786 PolarHBondContact O-N 3.02Å; Q783-L787 WeakPolarHBondContact O-CB 3.45Å; Q783-L787 PolarHBondContact O-N 3.42Å |
| 784 | K | 80 | Confident | 79.6 | Confident | 161 Ų | 161 | 105.8 Ų | 105.8 | 70% | 0.7 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | 177 | -77.8 | 179.3 | -178.4 | 177.7 | 0 | 112.5 | L780 A781 E782 L787 A788 | L780-K784 WeakPolarHBondContact O-CG 3.28Å; L780-K784 PolarHBondContact O-N 3.27Å; L780-K784 VanDerWaalsContact O-N 3.17Å; A781-K784 PolarHBondContact O-N 3.48Å; E782-K784 VanDerWaalsContact C-N 3.29Å; E782-K784 PolarHBondContact O-N 3.37Å; K784-L787 PolarHBondContact O-N 3.12Å; K784-A788 WeakPolarHBondContact O-CB 3.46Å; K784-A788 PolarHBondContact O-N 3.33Å |
| 785 | A | 78.1 | Confident | 78.9 | Confident | 60 Ų | 60 | 107.1 Ų | 107.1 | 50% | 0.496 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | A781 E782 A788 C789 | A781-A785 WeakPolarHBondContact O-CB 3.49Å; A781-A785 PolarHBondContact O-N 3.37Å; E782-A785 PolarHBondContact O-N 3.11Å; E782-A785 VanDerWaalsContact O-N 3.14Å; A785-A788 PolarHBondContact O-N 2.87Å; A785-C789 WeakPolarHBondContact O-CB 3.46Å; A785-C789 PolarHBondContact O-N 3.31Å |
| 786 | E | 80.7 | Confident | 78 | Confident | 117 Ų | 117 | 106.6 Ų | 106.6 | 55% | 0.547 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 176.3 | -168.8 | 163.9 | -158.2 | 0 | 0 | 111.3 | E782 Q783 A788 C789 Q790 | E782-E786 WeakPolarHBondContact O-CB 3.28Å; E782-E786 PolarHBondContact O-N 3.43Å; Q783-E786 PolarHBondContact O-N 3.02Å; E786-A788 VanDerWaalsContact C-N 3.33Å; E786-A788 PolarHBondContact O-N 2.9Å; E786-C789 WeakPolarHBondContact O-CB 3.46Å; E786-C789 PolarHBondContact O-N 2.84Å; E786-Q790 WeakPolarHBondContact O-CG 3.39Å; E786-Q790 PolarHBondContact O-N 3.22Å |
| 787 | L | 79.2 | Confident | 77.1 | Confident | 119 Ų | 119 | 109.2 Ų | 109.2 | 62% | 0.623 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62 | -40.1 | 174 | -139.2 | 122.4 | 0 | 0 | 0 | 111.8 | Q783 K784 K791 | Q783-L787 WeakPolarHBondContact O-CB 3.45Å; Q783-L787 PolarHBondContact O-N 3.42Å; K784-L787 PolarHBondContact O-N 3.12Å; L787-K791 WeakPolarHBondContact O-CB 3.47Å; L787-K791 PolarHBondContact O-N 3.45Å |
| 788 | A | 74.4 | Confident | 75.9 | Confident | 59 Ų | 59 | 107.7 Ų | 107.7 | 49% | 0.488 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.3 | -39.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K784 A785 E786 K791 A792 | K784-A788 WeakPolarHBondContact O-CB 3.46Å; K784-A788 PolarHBondContact O-N 3.33Å; A785-A788 PolarHBondContact O-N 2.87Å; E786-A788 VanDerWaalsContact C-N 3.33Å; E786-A788 PolarHBondContact O-N 2.9Å; A788-K791 PolarHBondContact O-N 3.38Å; A788-A792 WeakPolarHBondContact O-CB 3.35Å; A788-A792 PolarHBondContact O-N 3.42Å |
| 789 | C | 75.6 | Confident | 74.6 | Confident | 77 Ų | 77 | 103.6 Ų | 103.6 | 52% | 0.52 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 176.6 | -121.3 | 0 | 0 | 0 | 0 | 111.7 | A785 E786 K791 A792 K793 | A785-C789 WeakPolarHBondContact O-CB 3.46Å; A785-C789 PolarHBondContact O-N 3.31Å; E786-C789 WeakPolarHBondContact O-CB 3.46Å; E786-C789 PolarHBondContact O-N 2.84Å; C789-K791 VanDerWaalsContact C-N 3.35Å; C789-A792 PolarHBondContact O-N 3.33Å; C789-K793 WeakPolarHBondContact O-CG 3.06Å; C789-K793 PolarHBondContact O-N 3.03Å |
| 790 | Q | 78 | Confident | 73.3 | Confident | 114 Ų | 114 | 99.8 Ų | 99.8 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 172.8 | -72 | 178.6 | 8.6 | 0 | 0 | 110.9 | E786 A792 K793 Q794 | E786-Q790 WeakPolarHBondContact O-CG 3.39Å; E786-Q790 PolarHBondContact O-N 3.22Å; Q790-A792 VanDerWaalsContact C-N 3.35Å; Q790-A792 PolarHBondContact O-N 3.44Å; Q790-K793 PolarHBondContact O-N 2.8Å; Q790-Q794 PolarHBondContact O-N 3.15Å |
| 791 | K | 75.4 | Confident | 71.9 | Confident | 148 Ų | 148 | 98.2 Ų | 98.2 | 64% | 0.643 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.8 | -39 | 176.8 | -143.8 | 170.8 | -170.2 | 175.5 | 0 | 112.5 | L787 A788 C789 Q794 L795 | L787-K791 WeakPolarHBondContact O-CB 3.47Å; L787-K791 PolarHBondContact O-N 3.45Å; A788-K791 PolarHBondContact O-N 3.38Å; C789-K791 VanDerWaalsContact C-N 3.35Å; K791-Q794 WeakPolarHBondContact O-CB 3.48Å; K791-Q794 PolarHBondContact O-N 3.34Å; K791-L795 WeakPolarHBondContact O-CG 3.26Å; K791-L795 PolarHBondContact O-N 3.09Å; K791-L795 VanDerWaalsContact O-N 3.08Å |
| 792 | A | 70.7 | Confident | 70.5 | Confident | 50 Ų | 50 | 101.7 Ų | 101.7 | 41% | 0.413 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.4 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A788 C789 Q790 Q794 L795 T796 | A788-A792 WeakPolarHBondContact O-CB 3.35Å; A788-A792 PolarHBondContact O-N 3.42Å; C789-A792 PolarHBondContact O-N 3.33Å; Q790-A792 VanDerWaalsContact C-N 3.35Å; Q790-A792 PolarHBondContact O-N 3.44Å; A792-Q794 VanDerWaalsContact C-N 3.33Å; A792-Q794 PolarHBondContact O-N 3.04Å; A792-L795 PolarHBondContact O-N 3.02Å; A792-T796 WeakPolarHBondContact O-CB 3.47Å; A792-T796 PolarHBondContact O-N 3.42Å; A792-T796 PolarHBondContact O-OG1 3.15Å |
| 793 | K | 74.6 | Confident | 68.8 | Low | 145 Ų | 145 | 105 Ų | 105 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.6 | -43.3 | 173.5 | -77.5 | 179.3 | -179.7 | 177 | 0 | 111.2 | C789 Q790 L795 T796 I797 | C789-K793 WeakPolarHBondContact O-CG 3.06Å; C789-K793 PolarHBondContact O-N 3.03Å; Q790-K793 PolarHBondContact O-N 2.8Å; K793-L795 PolarHBondContact O-N 3.13Å; K793-T796 PolarHBondContact O-N 3.09Å; K793-T796 VanDerWaalsContact O-N 3.16Å; K793-I797 WeakPolarHBondContact O-CG1 3.29Å; K793-I797 PolarHBondContact O-N 3.25Å |
| 794 | Q | 68.9 | Low | 66.7 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 58% | 0.584 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -56.7 | -50.4 | 176.1 | -156.4 | 95 | 17 | 0 | 0 | 111 | Q790 K791 A792 T796 I797 E798 | Q790-Q794 PolarHBondContact O-N 3.15Å; K791-Q794 WeakPolarHBondContact O-CB 3.48Å; K791-Q794 PolarHBondContact O-N 3.34Å; A792-Q794 VanDerWaalsContact C-N 3.33Å; A792-Q794 PolarHBondContact O-N 3.04Å; Q794-T796 VanDerWaalsContact C-N 3.28Å; Q794-T796 PolarHBondContact O-N 3.3Å; Q794-I797 PolarHBondContact O-N 3.29Å; Q794-E798 WeakPolarHBondContact O-CG 3.4Å; Q794-E798 PolarHBondContact O-N 3.34Å |
| 795 | L | 68.3 | Low | 64.4 | Low | 107 Ų | 107 | 106.5 Ų | 106.5 | 56% | 0.56 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.5 | -32.2 | 177.4 | -74.2 | 168.8 | 0 | 0 | 0 | 113 | K791 A792 K793 A799 | K791-L795 WeakPolarHBondContact O-CG 3.26Å; K791-L795 PolarHBondContact O-N 3.09Å; K791-L795 VanDerWaalsContact O-N 3.08Å; A792-L795 PolarHBondContact O-N 3.02Å; K793-L795 PolarHBondContact O-N 3.13Å; L795-A799 VanDerWaalsContact O-CB 3.31Å; L795-A799 WeakPolarHBondContact O-CB 3.49Å; L795-A799 PolarHBondContact O-N 3.31Å |
| 796 | T | 67 | Low | 62.3 | Low | 94 Ų | 94 | 108.7 Ų | 108.7 | 58% | 0.577 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.9 | -38.2 | 177.9 | -47.2 | 0 | 0 | 0 | 0 | 111.3 | A792 K793 Q794 A799 A800 | A792-T796 WeakPolarHBondContact O-CB 3.47Å; A792-T796 PolarHBondContact O-N 3.42Å; A792-T796 PolarHBondContact O-OG1 3.15Å; K793-T796 PolarHBondContact O-N 3.09Å; K793-T796 VanDerWaalsContact O-N 3.16Å; Q794-T796 VanDerWaalsContact C-N 3.28Å; Q794-T796 PolarHBondContact O-N 3.3Å; T796-A799 PolarHBondContact O-N 3.08Å; T796-A800 WeakPolarHBondContact O-CB 3.27Å; T796-A800 PolarHBondContact O-N 2.88Å |
| 797 | I | 65.6 | Low | 59.9 | Low | 123 Ų | 123 | 111.4 Ų | 111.4 | 63% | 0.631 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.3 | -42.8 | 173.5 | -66.2 | 166.8 | 0 | 0 | 0 | 109.9 | K793 Q794 A800 A801 | K793-I797 WeakPolarHBondContact O-CG1 3.29Å; K793-I797 PolarHBondContact O-N 3.25Å; Q794-I797 PolarHBondContact O-N 3.29Å; I797-A800 PolarHBondContact O-N 3.39Å; I797-A801 WeakPolarHBondContact O-CB 3.37Å; I797-A801 PolarHBondContact O-N 3.5Å |
| 798 | E | 58.7 | Low | 57.6 | Low | 108 Ų | 108 | 114.1 Ų | 114.1 | 51% | 0.505 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.1 | -42.6 | 174.9 | -73.1 | 173.4 | -174.5 | 0 | 0 | 111.8 | Q794 A800 A801 V802 | Q794-E798 WeakPolarHBondContact O-CG 3.4Å; Q794-E798 PolarHBondContact O-N 3.34Å; E798-A800 PolarHBondContact O-N 2.74Å; E798-A801 PolarHBondContact O-N 3.3Å; E798-V802 VanDerWaalsContact O-CG2 3.29Å; E798-V802 WeakPolarHBondContact O-CG2 3.25Å; E798-V802 PolarHBondContact O-N 2.84Å; E798-V802 VanDerWaalsContact O-N 3.12Å |
| 799 | A | 56.3 | Low | 55.2 | Low | 68 Ų | 68 | 116.7 Ų | 116.7 | 56% | 0.562 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.7 | -36.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | L795 T796 | L795-A799 VanDerWaalsContact O-CB 3.31Å; L795-A799 WeakPolarHBondContact O-CB 3.49Å; L795-A799 PolarHBondContact O-N 3.31Å; T796-A799 PolarHBondContact O-N 3.08Å |
| 800 | A | 56.2 | Low | 53 | Low | 62 Ų | 62 | 119.9 Ų | 119.9 | 51% | 0.512 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -70.4 | -36.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T796 I797 E798 K803 | T796-A800 WeakPolarHBondContact O-CB 3.27Å; T796-A800 PolarHBondContact O-N 2.88Å; I797-A800 PolarHBondContact O-N 3.39Å; E798-A800 PolarHBondContact O-N 2.74Å; A800-K803 PolarHBondContact O-N 3.38Å |
| 801 | A | 55.2 | Low | 50.8 | Low | 63 Ų | 63 | 125 Ų | 125 | 52% | 0.521 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -66.9 | -36.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I797 E798 K803 N804 | I797-A801 WeakPolarHBondContact O-CB 3.37Å; I797-A801 PolarHBondContact O-N 3.5Å; E798-A801 PolarHBondContact O-N 3.3Å; A801-K803 PolarHBondContact O-N 3.44Å; A801-N804 CarbonylContact O-C 3.57Å; A801-N804 PolarHBondContact O-N 2.82Å |
| 802 | V | 51.7 | Low | 48.4 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 77% | 0.77 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -65.1 | -21.3 | 179.2 | 171.8 | 0 | 0 | 0 | 0 | 112.9 | E798 | E798-V802 VanDerWaalsContact O-CG2 3.29Å; E798-V802 WeakPolarHBondContact O-CG2 3.25Å; E798-V802 PolarHBondContact O-N 2.84Å; E798-V802 VanDerWaalsContact O-N 3.12Å |
| 803 | K | 46.8 | Very low | 46.4 | Very low | 185 Ų | 185 | 125.6 Ų | 125.6 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -15.3 | 178.6 | -136.7 | 176.5 | -174.5 | -179.8 | 0 | 114.1 | A800 A801 | A800-K803 PolarHBondContact O-N 3.38Å; A801-K803 PolarHBondContact O-N 3.44Å |
| 804 | N | 39.9 | Very low | 44.4 | Very low | 130 Ų | 130 | 126.8 Ų | 126.8 | 70% | 0.695 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -139 | 72.5 | -175.7 | -70.4 | -38.2 | 0 | 0 | 0 | 111.1 | A801 | A801-N804 CarbonylContact O-C 3.57Å; A801-N804 PolarHBondContact O-N 2.82Å |
| 805 | L | 30.3 | Very low | 42.5 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | trans | 173.6 | 121 | 144.7 | -118 | 71.4 | 0 | 0 | 0 | 110.5 | ||||
| 806 | P | 35.1 | Very low | 40.8 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 69% | 0.688 | 71% | 0.708 | S | S | * | * | trans | -87.3 | 138.2 | 164.3 | 33 | -26.7 | 0 | 0 | 0 | 110.7 | ||||
| 807 | H | 30 | Very low | 38.9 | Very low | 175 Ų | 175 | 131 Ų | 131 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | trans | 77.6 | 100.4 | 169.2 | -52.4 | -62.8 | 0 | 0 | 0 | 117.3 | ||||
| 808 | L | 30.2 | Very low | 37.1 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 92% | 0.916 | 72% | 0.721 | S | S | * | * | -173.1 | 143.7 | 110.4 | -93.2 | 156.9 | 0 | 0 | 0 | 111.3 | |||||
| 809 | T | 25.6 | Very low | 35.8 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | -88.6 | 150.9 | -172 | 36.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 810 | N | 28.9 | Very low | 34.6 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | trans | 82.9 | 146.7 | 150.9 | -70.6 | -10.8 | 0 | 0 | 0 | 121.4 | ||||
| 811 | Y | 30.8 | Very low | 33.5 | Very low | 223 Ų | 223 | 139 Ų | 139 | 88% | 0.875 | 76% | 0.755 | S | S | * | * | trans | 95 | 112.1 | 175.4 | -65.4 | -84.2 | 0 | 0 | 0 | 115.2 | ||||
| 812 | S | 25.6 | Very low | 32.4 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | cis | 100 | 102.7 | 36.3 | -179.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 813 | V | 29.4 | Very low | 31.4 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | 90.6 | 146.2 | 135.3 | -177.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 814 | H | 31.1 | Very low | 30.6 | Very low | 171 Ų | 171 | 139.1 Ų | 139.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | 92.1 | 107.4 | 171 | -60.8 | -59.1 | 0 | 0 | 0 | 115.6 | ||||
| 815 | A | 29.9 | Very low | 30.3 | Very low | 83 Ų | 83 | 136.4 Ų | 136.4 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | cis | 63.9 | 110 | 43.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 816 | D | 31.8 | Very low | 30.4 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | 172.9 | 101.6 | 155.5 | -84.5 | -18.1 | 0 | 0 | 0 | 105.4 | ||||
| 817 | E | 27.4 | Very low | 30.2 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | 56.3 | 132.1 | 63.8 | -84.4 | -171.5 | 177 | 0 | 0 | 116.6 | |||||
| 818 | H | 28.2 | Very low | 30.3 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 72% | 0.718 | 75% | 0.747 | S | S | * | * | trans | 78.2 | 137 | 163.3 | -70.6 | -54 | 0 | 0 | 0 | 118 | ||||
| 819 | N | 32.2 | Very low | 30.3 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | cis | -157.1 | 157.7 | 17.2 | -82.8 | -38.1 | 0 | 0 | 0 | 107.2 | ||||
| 820 | G | 30 | Very low | 30.6 | Very low | 65 Ų | 65 | 136.4 Ų | 136.4 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | cis | 96.3 | 72.2 | 25.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 821 | I | 33.8 | Very low | 30.9 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | trans | -152.4 | 92.1 | 162.8 | -54.3 | -179.2 | 0 | 0 | 0 | 106.8 | ||||
| 822 | V | 30.9 | Very low | 30.9 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 82% | 0.824 | 73% | 0.733 | S | S | * | * | 62.6 | 109.3 | 78.9 | -175.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 823 | V | 31.6 | Very low | 31.2 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 62% | 0.624 | 74% | 0.741 | S | S | * | * | trans | -52.9 | 140.2 | 164 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 824 | D | 31 | Very low | 31.3 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | -140.3 | 127.8 | 149.2 | -128.5 | -17.5 | 0 | 0 | 0 | 112.4 | H826 | D824-H826 IonicContact OD1-CE1 3.93Š| ||
| 825 | S | 31.9 | Very low | 31.5 | Very low | 73 Ų | 73 | 133.5 Ų | 133.5 | 51% | 0.51 | 74% | 0.74 | S | S | . | * | trans | -114.9 | 120.5 | -175 | -49.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 826 | H | 32.5 | Very low | 31.6 | Very low | 168 Ų | 168 | 136 Ų | 136 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | trans | -126.6 | 91.9 | 170.1 | -72.3 | -27.7 | 0 | 0 | 0 | 111.4 | D824 | D824-H826 IonicContact OD1-CE1 3.93Š| ||
| 827 | L | 30.6 | Very low | 31.6 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 58% | 0.581 | 74% | 0.735 | S | S | * | * | trans | -67.7 | 136.2 | 151.5 | -88.3 | 136.5 | 0 | 0 | 0 | 110.3 | Y765 | Y765-L827 WeakPolarHBondContact OH-CD2 3.41Š| ||
| 828 | H | 33.9 | Very low | 31.8 | Very low | 187 Ų | 187 | 132.2 Ų | 132.2 | 87% | 0.866 | 73% | 0.732 | S | S | * | * | trans | -159.5 | 96.2 | 151 | -96.3 | 75.2 | 0 | 0 | 0 | 105.5 | ||||
| 829 | H | 28.9 | Very low | 32 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 57% | 0.565 | 74% | 0.739 | S | S | * | * | 39 | 101.7 | 78.7 | -83.2 | 82.7 | 0 | 0 | 0 | 115.3 | |||||
| 830 | N | 32.9 | Very low | 32.1 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | 162.5 | 122.9 | 107.4 | -90 | -25.3 | 0 | 0 | 0 | 114.8 | |||||
| 831 | N | 33.6 | Very low | 32.3 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | 21.7 | 129.3 | 132.7 | -64.4 | -18.7 | 0 | 0 | 0 | 121 | ||||
| 832 | G | 32 | Very low | 32.3 | Very low | 78 Ų | 78 | 143.9 Ų | 143.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -157.1 | 67.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H834 | G832-H834 PolarHBondContact O-N 3.32Š| ||
| 833 | L | 30.9 | Very low | 32.3 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 85% | 0.848 | 75% | 0.75 | S | S | * | * | trans | -67 | 113.7 | 172.1 | -171.2 | 75.3 | 0 | 0 | 0 | 109.8 | V835 | L833-V835 HydrophobicContact CD2-CG2 3.98Å; L833-V835 HydrophobicContact CG-CG2 4.14Å; L833-V835 PolarHBondContact O-N 2.9Å | ||
| 834 | H | 31.2 | Very low | 32.4 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | trans | -89.1 | 89.7 | 175.4 | -133.4 | -62.6 | 0 | 0 | 0 | 109.3 | G832 V836 | G832-H834 PolarHBondContact O-N 3.32Å; H834-V836 PolarHBondContact O-N 3.47Å | ||
| 835 | V | 35.4 | Very low | 32.5 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 62% | 0.618 | 76% | 0.763 | S | S | * | * | trans | -78.6 | 114.4 | 167.6 | 176.1 | 0 | 0 | 0 | 0 | 107.7 | L833 D837 | L833-V835 HydrophobicContact CD2-CG2 3.98Å; L833-V835 HydrophobicContact CG-CG2 4.14Å; L833-V835 PolarHBondContact O-N 2.9Å; V835-D837 PolarHBondContact O-N 3.4Å | ||
| 836 | V | 33.3 | Very low | 32.7 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -79.2 | 101.8 | 176 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | H834 | H834-V836 PolarHBondContact O-N 3.47Š| ||
| 837 | D | 31.2 | Very low | 32.6 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | trans | -87.5 | 127.7 | 175.6 | -116 | -35.5 | 0 | 0 | 0 | 111.5 | V835 | V835-D837 PolarHBondContact O-N 3.4Š| ||
| 838 | N | 31.7 | Very low | 32.8 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 55.5 | 93.5 | 140.8 | -79.4 | -50.5 | 0 | 0 | 0 | 120 | ||||
| 839 | Q | 33.6 | Very low | 32.7 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -102.5 | 95.9 | 144.7 | -81 | -169 | -6.9 | 0 | 0 | 111.2 | N841 | Q839-N841 PolarHBondContact O-N 3.48Š| ||
| 840 | K | 33.4 | Very low | 32.8 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -50.4 | 110.6 | 154.9 | -82.1 | 169.8 | 170.6 | 166.8 | 0 | 109.7 | ||||
| 841 | N | 33.9 | Very low | 33 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -106.2 | 111 | 158.8 | -96.2 | -26.5 | 0 | 0 | 0 | 110.3 | Q839 | Q839-N841 PolarHBondContact O-N 3.48Š| ||
| 842 | R | 33.7 | Very low | 33 | Very low | 235 Ų | 235 | 147.6 Ų | 147.6 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -54.9 | 133.4 | -177.8 | -84.3 | 172.4 | 162.3 | 178.3 | -5.2 | 112.9 | K844 | R842-K844 PolarHBondContact O-N 3.42Š| ||
| 843 | S | 30.3 | Very low | 33.2 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -22.8 | 116 | 147.8 | -40 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 844 | K | 34.7 | Very low | 33.2 | Very low | 195 Ų | 195 | 155.2 Ų | 155.2 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | -110 | 83.8 | 155.4 | -78.7 | -178.4 | 178 | 176.6 | 0 | 107.9 | R842 I846 | R842-K844 PolarHBondContact O-N 3.42Å; K844-I846 PolarHBondContact O-N 3.39Å | ||
| 845 | S | 34 | Very low | 34 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -75.7 | 97.4 | 166.7 | -59.1 | 0 | 0 | 0 | 0 | 108 | S847 | S845-S847 PolarHBondContact O-N 3.2Š| ||
| 846 | I | 34.2 | Very low | 34 | Very low | 135 Ų | 135 | 152.5 Ų | 152.5 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | -77.8 | 97.8 | 170 | -64.4 | 173.7 | 0 | 0 | 0 | 106.8 | K844 H848 | K844-I846 PolarHBondContact O-N 3.39Å; I846-H848 WeakPolarHBondContact CG2-CD2 3.47Å | ||
| 847 | S | 30.5 | Very low | 34 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -83.1 | 103.2 | 167.9 | -170.3 | 0 | 0 | 0 | 0 | 107.8 | S845 | S845-S847 PolarHBondContact O-N 3.2Š| ||
| 848 | H | 34.6 | Very low | 34.2 | Very low | 168 Ų | 168 | 152.2 Ų | 152.2 | 78% | 0.778 | 81% | 0.806 | S | S | * | * | trans | -99.4 | 107.1 | 162.2 | -82.6 | -59.1 | 0 | 0 | 0 | 108.6 | I846 L850 | I846-H848 WeakPolarHBondContact CG2-CD2 3.47Å; H848-L850 PolarHBondContact O-N 2.9Å | ||
| 849 | Q | 33 | Very low | 34.3 | Very low | 182 Ų | 182 | 154.4 Ų | 154.4 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -51.5 | 118.6 | 172.6 | -72.1 | 167.3 | -27 | 0 | 0 | 110.7 | ||||
| 850 | L | 30.8 | Very low | 34.3 | Very low | 166 Ų | 166 | 153.4 Ų | 153.4 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -71.6 | 125.2 | 158.4 | -81.8 | 151.5 | 0 | 0 | 0 | 108 | H848 S852 | H848-L850 PolarHBondContact O-N 2.9Å; L850-S852 PolarHBondContact O-N 3.4Å; L850-S852 VanDerWaalsContact O-N 3.16Å | ||
| 851 | P | 38 | Very low | 34.3 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -76.2 | 108.4 | -178.7 | 29.5 | -31.2 | 0 | 0 | 0 | 109.8 | R853 | P851-R853 PolarHBondContact O-N 3.44Š| ||
| 852 | S | 33.6 | Very low | 34.2 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -66.5 | 110.3 | 164.9 | 59.8 | 0 | 0 | 0 | 0 | 109.6 | L850 | L850-S852 PolarHBondContact O-N 3.4Å; L850-S852 VanDerWaalsContact O-N 3.16Å | ||
| 853 | R | 34.3 | Very low | 34.2 | Very low | 243 Ų | 243 | 146.6 Ų | 146.6 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | trans | -118.9 | 96.5 | 163.3 | -157.6 | 176.3 | -172.5 | -176.7 | 2 | 108.5 | P851 | P851-R853 PolarHBondContact O-N 3.44Š| ||
| 854 | N | 31.9 | Very low | 34.4 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -81.7 | 167.7 | 169 | -108.8 | -4.2 | 0 | 0 | 0 | 110.6 | ||||
| 855 | P | 48.6 | Very low | 34.3 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | trans | -100.8 | 149.1 | -130.7 | 37 | -35.6 | 0 | 0 | 0 | 114.2 | ||||
| 856 | S | 33.9 | Very low | 34.2 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -99 | 106.6 | 160.1 | -80.3 | 0 | 0 | 0 | 0 | 109.7 | V858 | S856-V858 PolarHBondContact O-N 3.46Š| ||
| 857 | T | 33.3 | Very low | 34.1 | Very low | 118 Ų | 118 | 148 Ų | 148 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | -36.2 | 107.7 | 159.1 | -49.2 | 0 | 0 | 0 | 0 | 112.2 | K859 | T857-K859 HydrophobicContact CG2-CG 4.26Š| ||
| 858 | V | 35.2 | Very low | 34.5 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -90.8 | 99.2 | 160.5 | 178.4 | 0 | 0 | 0 | 0 | 106.5 | S856 L860 | S856-V858 PolarHBondContact O-N 3.46Å; V858-L860 PolarHBondContact O-N 2.91Å | ||
| 859 | K | 34 | Very low | 34.4 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -59.6 | 114.3 | 168.1 | -84 | 177.4 | 171.8 | 178.6 | 0 | 108.1 | T857 I861 | T857-K859 HydrophobicContact CG2-CG 4.26Å; K859-I861 VanDerWaalsContact C-N 3.35Å; K859-I861 PolarHBondContact O-N 3.26Å | ||
| 860 | L | 33.8 | Very low | 34.4 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -65.7 | 97.9 | 160.8 | -78.9 | 161.6 | 0 | 0 | 0 | 107.4 | V858 L862 | V858-L860 PolarHBondContact O-N 2.91Å; L860-L862 PolarHBondContact O-N 2.83Å | ||
| 861 | I | 33.3 | Very low | 34.5 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 67% | 0.672 | 78% | 0.782 | S | S | * | * | trans | -71.7 | 108.5 | 164.5 | -63.8 | 173.7 | 0 | 0 | 0 | 105.3 | K859 E863 | K859-I861 VanDerWaalsContact C-N 3.35Å; K859-I861 PolarHBondContact O-N 3.26Å; I861-E863 VanDerWaalsContact C-N 3.35Å; I861-E863 HydrophobicContact CG2-CB 4.47Å; I861-E863 HydrophobicContact CG2-CG 3.88Å; I861-E863 PolarHBondContact O-N 2.88Å; I861-E863 VanDerWaalsContact O-N 3.12Å | ||
| 862 | L | 33 | Very low | 34.3 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | trans | -66.1 | 99.6 | 159.3 | -89.8 | 88.8 | 0 | 0 | 0 | 106.5 | L860 | L860-L862 PolarHBondContact O-N 2.83Š| ||
| 863 | E | 33.8 | Very low | 34.2 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -97.6 | 118.5 | 162.4 | -99.8 | 173.8 | -174.5 | 0 | 0 | 108.4 | I861 N865 | I861-E863 VanDerWaalsContact C-N 3.35Å; I861-E863 HydrophobicContact CG2-CB 4.47Å; I861-E863 HydrophobicContact CG2-CG 3.88Å; I861-E863 PolarHBondContact O-N 2.88Å; I861-E863 VanDerWaalsContact O-N 3.12Å; E863-N865 PolarHBondContact O-N 2.8Å | ||
| 864 | D | 32.9 | Very low | 34.2 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -57.4 | 91.6 | 175 | -75.4 | -41.8 | 0 | 0 | 0 | 110.8 | T866 | D864-T866 PolarHBondContact O-N 3.33Š| ||
| 865 | N | 33.2 | Very low | 34.4 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -73.6 | 78.6 | 168.5 | -79 | -33.4 | 0 | 0 | 0 | 110 | E863 F867 | E863-N865 PolarHBondContact O-N 2.8Å; N865-F867 VanDerWaalsContact C-N 3.33Å; N865-F867 HydrophobicContact CB-CD2 4.41Å; N865-F867 HydrophobicContact CB-CE2 4.1Å; N865-F867 WeakPolarHBondContact O-CD2 3.19Å; N865-F867 PolarHBondContact O-N 3.1Å; N865-F867 VanDerWaalsContact O-N 3.07Å | ||
| 866 | T | 33.2 | Very low | 33.7 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | trans | -71.8 | 91.7 | 162.2 | -39.8 | 0 | 0 | 0 | 0 | 107 | D864 P868 | D864-T866 PolarHBondContact O-N 3.33Å; T866-P868 VanDerWaalsContact O-CD 3.28Å; T866-P868 WeakPolarHBondContact O-CD 3.47Å | ||
| 867 | F | 32 | Very low | 33.7 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 79% | 0.789 | 78% | 0.779 | S | S | * | * | trans | -60.6 | 117.1 | 179 | -80.1 | -88.9 | 0 | 0 | 0 | 110.6 | N865 N869 | N865-F867 VanDerWaalsContact C-N 3.33Å; N865-F867 HydrophobicContact CB-CD2 4.41Å; N865-F867 HydrophobicContact CB-CE2 4.1Å; N865-F867 WeakPolarHBondContact O-CD2 3.19Å; N865-F867 PolarHBondContact O-N 3.1Å; N865-F867 VanDerWaalsContact O-N 3.07Å; F867-N869 PolarHBondContact O-N 3.4Å | ||
| 868 | P | 38.3 | Very low | 33.7 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | trans | -78.9 | 114.2 | 173.3 | 30.4 | -26.8 | 0 | 0 | 0 | 108.6 | T866 S870 | T866-P868 VanDerWaalsContact O-CD 3.28Å; T866-P868 WeakPolarHBondContact O-CD 3.47Å; P868-S870 PolarHBondContact O-N 2.79Å; P868-S870 VanDerWaalsContact O-N 3.08Å | ||
| 869 | N | 32 | Very low | 33.6 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 91% | 0.914 | 79% | 0.786 | S | S | * | * | trans | -74.4 | 92.1 | 175.2 | -163 | 10.4 | 0 | 0 | 0 | 109.1 | F867 | F867-N869 PolarHBondContact O-N 3.4Š| ||
| 870 | S | 34.1 | Very low | 33.7 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -145.3 | 111 | 170.8 | 61.5 | 0 | 0 | 0 | 0 | 112.3 | P868 | P868-S870 PolarHBondContact O-N 2.79Å; P868-S870 VanDerWaalsContact O-N 3.08Å | ||
| 871 | G | 31.8 | Very low | 33.8 | Very low | 70 Ų | 70 | 141.7 Ų | 141.7 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 88.3 | 56.9 | 137.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | S873 | G871-S873 PolarHBondContact O-N 3.44Å; G871-S873 VanDerWaalsContact O-N 3.08Å | ||
| 872 | L | 33.3 | Very low | 33.8 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 98% | 0.979 | 80% | 0.796 | S | S | * | * | trans | -77.9 | 79.5 | 153.7 | -74.3 | 171.4 | 0 | 0 | 0 | 109.2 | ||||
| 873 | S | 32.8 | Very low | 34.1 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -105.9 | 127.5 | 165.6 | 101.7 | 0 | 0 | 0 | 0 | 109.5 | G871 | G871-S873 PolarHBondContact O-N 3.44Å; G871-S873 VanDerWaalsContact O-N 3.08Å | ||
| 874 | N | 34.3 | Very low | 34 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | 72.6 | 70.9 | 151.6 | -56.7 | -30.7 | 0 | 0 | 0 | 118.6 | ||||
| 875 | Y | 35.8 | Very low | 34.2 | Very low | 226 Ų | 226 | 143.8 Ų | 143.8 | 89% | 0.886 | 80% | 0.795 | S | S | * | * | trans | -89 | 87.2 | 138.3 | -80.8 | -82.3 | 0 | 0 | 0 | 108.8 | L877 | Y875-L877 PolarHBondContact O-N 2.84Š| ||
| 876 | K | 33.5 | Very low | 34.2 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 81% | 0.809 | 80% | 0.8 | S | S | * | * | trans | -68.8 | 103.6 | 163.6 | -87.2 | 179.9 | 173.9 | 177 | 0 | 107.7 | S878 | K876-S878 PolarHBondContact O-N 2.86Š| ||
| 877 | L | 33.9 | Very low | 34.1 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -66.5 | 117.5 | 159.7 | -95.9 | 93.2 | 0 | 0 | 0 | 108.2 | Y875 T879 | Y875-L877 PolarHBondContact O-N 2.84Å; L877-T879 PolarHBondContact O-N 2.95Å; L877-T879 VanDerWaalsContact O-N 3.09Å | ||
| 878 | S | 33.3 | Very low | 34.2 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -53.9 | 107.9 | 175.7 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | K876 S880 | K876-S878 PolarHBondContact O-N 2.86Å; S878-S880 VanDerWaalsContact C-N 3.34Å; S878-S880 PolarHBondContact O-N 3.11Å | ||
| 879 | T | 33.3 | Very low | 34 | Very low | 139 Ų | 139 | 145 Ų | 145 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -71.8 | 88.4 | 164 | 40.3 | 0 | 0 | 0 | 0 | 108.9 | L877 N881 | L877-T879 PolarHBondContact O-N 2.95Å; L877-T879 VanDerWaalsContact O-N 3.09Å; T879-N881 PolarHBondContact O-N 3.34Å; T879-N881 VanDerWaalsContact O-N 3.13Å | ||
| 880 | S | 35.6 | Very low | 33.9 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -73.1 | 101.8 | 173.3 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | S878 | S878-S880 VanDerWaalsContact C-N 3.34Å; S878-S880 PolarHBondContact O-N 3.11Å | ||
| 881 | N | 36.9 | Very low | 33.8 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | 27.3 | 91.8 | 151.1 | -67.8 | -21.8 | 0 | 0 | 0 | 117.2 | T879 S883 | T879-N881 PolarHBondContact O-N 3.34Å; T879-N881 VanDerWaalsContact O-N 3.13Å; N881-S883 PolarHBondContact O-N 3.23Å | ||
| 882 | R | 33.4 | Very low | 33.8 | Very low | 254 Ų | 254 | 147.1 Ų | 147.1 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | -61.6 | 98.3 | 151 | -93 | -175.8 | 169 | -149.8 | -0.1 | 108.2 | S884 | R882-S884 PolarHBondContact O-N 3.38Š| ||
| 883 | S | 37.9 | Very low | 33.7 | Very low | 105 Ų | 105 | 145.2 Ų | 145.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | -66.2 | 115.5 | 162.4 | 54.8 | 0 | 0 | 0 | 0 | 108.6 | N881 M885 | N881-S883 PolarHBondContact O-N 3.23Å; S883-M885 PolarHBondContact O-N 2.77Å; S883-M885 VanDerWaalsContact O-N 3.12Å | ||
| 884 | S | 33.1 | Very low | 33.7 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -62.4 | 106.7 | 171.5 | 57.7 | 0 | 0 | 0 | 0 | 109.9 | R882 N886 | R882-S884 PolarHBondContact O-N 3.38Å; S884-N886 PolarHBondContact O-N 3.02Å | ||
| 885 | M | 36.6 | Very low | 33.7 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | trans | -82.3 | 109.1 | 165.2 | -87.8 | -174.4 | 164.9 | 0 | 0 | 108.6 | S883 F887 | S883-M885 PolarHBondContact O-N 2.77Å; S883-M885 VanDerWaalsContact O-N 3.12Å; M885-F887 PolarHBondContact O-N 2.76Å | ||
| 886 | N | 33.8 | Very low | 33.6 | Very low | 151 Ų | 151 | 146.3 Ų | 146.3 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | -66.4 | 118.6 | 170 | -73.6 | -9.7 | 0 | 0 | 0 | 109 | S884 A888 | S884-N886 PolarHBondContact O-N 3.02Å; N886-A888 PolarHBondContact O-N 3.33Å | ||
| 887 | F | 29.9 | Very low | 33.5 | Very low | 209 Ų | 209 | 140.6 Ų | 140.6 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | -72.1 | 109.5 | 169.2 | -78.7 | -92.7 | 0 | 0 | 0 | 109.3 | M885 | M885-F887 PolarHBondContact O-N 2.76Š| ||
| 888 | A | 34.2 | Very low | 33.4 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -111.4 | 128.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | N886 | N886-A888 PolarHBondContact O-N 3.33Š| ||
| 889 | P | 35.4 | Very low | 33.4 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -92.6 | 147.3 | -164.8 | 35.9 | -33.7 | 0 | 0 | 0 | 113.3 | ||||
| 890 | S | 28.3 | Very low | 33.4 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 77.1 | 107.6 | 147.4 | -54.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 891 | S | 33 | Very low | 33.2 | Very low | 110 Ų | 110 | 150.5 Ų | 150.5 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | -159.4 | 121.8 | 126.7 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 892 | L | 31.6 | Very low | 33.1 | Very low | 164 Ų | 164 | 148.5 Ų | 148.5 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | 55.5 | 95.1 | 143.3 | -76.3 | 138.7 | 0 | 0 | 0 | 119.7 | D894 | L892-D894 PolarHBondContact O-N 2.84Š| ||
| 893 | I | 31.3 | Very low | 33.1 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | -3.5 | 111.1 | 121.2 | -57.7 | 168.2 | 0 | 0 | 0 | 113.6 | |||||
| 894 | D | 32.9 | Very low | 33 | Very low | 138 Ų | 138 | 146.7 Ų | 146.7 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | 172.9 | 144.7 | 123.5 | -90.2 | -33.4 | 0 | 0 | 0 | 109.8 | L892 | L892-D894 PolarHBondContact O-N 2.84Š| |||
| 895 | N | 34.1 | Very low | 33.4 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | 94.7 | 73.2 | 174.8 | -51.8 | -45.5 | 0 | 0 | 0 | 117.5 | ||||
| 896 | L | 33.4 | Very low | 33.6 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | trans | -132.5 | 89.5 | 139.5 | -78.2 | 177.5 | 0 | 0 | 0 | 109.4 | ||||
| 897 | G | 32 | Very low | 34.4 | Very low | 66 Ų | 66 | 142.3 Ų | 142.3 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | -66 | 142.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 898 | N | 32.3 | Very low | 36 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | 40.4 | 92.9 | 150.2 | -91.3 | -1.8 | 0 | 0 | 0 | 117.9 | ||||
| 899 | V | 33.4 | Very low | 37.7 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | trans | -123.8 | 96 | 143.2 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | R901 | V899-R901 HydrophobicContact CG1-CG 4.16Å; V899-R901 PolarHBondContact O-N 2.83Å | ||
| 900 | R | 31.8 | Very low | 39.6 | Very low | 241 Ų | 241 | 134.4 Ų | 134.4 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | -52.3 | 103.5 | 158.6 | -80.6 | 178.9 | 175.8 | -174.2 | -2.2 | 107.7 | ||||
| 901 | R | 32.3 | Very low | 42 | Very low | 218 Ų | 218 | 129.9 Ų | 129.9 | 82% | 0.823 | 72% | 0.718 | S | S | * | * | trans | -93.5 | 118.6 | 161.2 | -78 | -169 | -169 | -141.2 | 2.5 | 108.1 | V899 M903 | V899-R901 HydrophobicContact CG1-CG 4.16Å; V899-R901 PolarHBondContact O-N 2.83Å; R901-M903 PolarHBondContact O-N 3.44Å; R901-M903 VanDerWaalsContact O-N 3.09Å | ||
| 902 | S | 33.7 | Very low | 44.5 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | -55.6 | 104.6 | 168.8 | -145.1 | 0 | 0 | 0 | 0 | 108.6 | E904 | S902-E904 VanDerWaalsContact C-N 3.34Š| ||
| 903 | M | 34.5 | Very low | 46.9 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | trans | -96.7 | 72.5 | 165 | -77.1 | -84.4 | -76.3 | 0 | 0 | 106.4 | R901 | R901-M903 PolarHBondContact O-N 3.44Å; R901-M903 VanDerWaalsContact O-N 3.09Å | ||
| 904 | E | 36.1 | Very low | 49.6 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 73% | 0.729 | 69% | 0.686 | S | S | * | * | trans | -86.4 | 127.2 | 160.1 | -82.5 | 178.9 | 166.1 | 0 | 0 | 107.3 | S902 | S902-E904 VanDerWaalsContact C-N 3.34Š| ||
| 905 | N | 41.2 | Very low | 52.2 | Low | 156 Ų | 156 | 123.3 Ų | 123.3 | 83% | 0.834 | 67% | 0.674 | S | S | * | * | trans | 77.9 | 53.9 | 161.2 | -46.2 | -19.6 | 0 | 0 | 0 | 116.5 | ||||
| 906 | S | 41.2 | Very low | 54.8 | Low | 91 Ų | 91 | 121 Ų | 121 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | trans | -94.9 | 104 | 138.3 | 73 | 0 | 0 | 0 | 0 | 107.2 | D908 | S906-D908 PolarHBondContact O-N 2.87Š| ||
| 907 | S | 49.5 | Very low | 57.6 | Low | 86 Ų | 86 | 117 Ų | 117 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | trans | -47.8 | 105.7 | 165.1 | 163.8 | 0 | 0 | 0 | 0 | 107 | P909 D912 | S907-P909 WeakPolarHBondContact O-CD 3Å; S907-D912 PolarHBondContact OG-OD2 3.42Å | ||
| 908 | D | 64.5 | Low | 60.3 | Low | 99 Ų | 99 | 122.8 Ų | 122.8 | 53% | 0.529 | 64% | 0.641 | S | S | . | * | trans | -77.7 | 103.8 | 169.9 | 178.5 | 6.1 | 0 | 0 | 0 | 105.7 | S906 A910 G911 D912 | S906-D908 PolarHBondContact O-N 2.87Å; D908-A910 PolarHBondContact O-N 3.26Å; D908-A910 VanDerWaalsContact O-N 3.07Å; D908-A910 WeakPolarHBondContact OD1-CB 3.35Å; D908-A910 PolarHBondContact OD1-N 2.7Å; D908-A910 VanDerWaalsContact OD1-N 3.11Å; D908-G911 PolarHBondContact O-N 2.93Å; D908-D912 PolarHBondContact O-N 3.42Å; D908-D912 VanDerWaalsContact O-N 3.14Å | ||
| 909 | P | 69 | Low | 63.1 | Low | 96 Ų | 96 | 120.7 Ų | 120.7 | 62% | 0.623 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -61.1 | -23.2 | -175.9 | -17.3 | 32.5 | 0 | 0 | 0 | 111.3 | S907 L913 | S907-P909 WeakPolarHBondContact O-CD 3Å; P909-L913 VanDerWaalsContact O-CB 3.3Å; P909-L913 WeakPolarHBondContact O-CB 3.37Å; P909-L913 PolarHBondContact O-N 3.45Å |
| 910 | A | 75 | Confident | 65.8 | Low | 58 Ų | 58 | 118.7 Ų | 118.7 | 48% | 0.479 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.1 | -42.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D908 L913 E914 | D908-A910 PolarHBondContact O-N 3.26Å; D908-A910 VanDerWaalsContact O-N 3.07Å; D908-A910 WeakPolarHBondContact OD1-CB 3.35Å; D908-A910 PolarHBondContact OD1-N 2.7Å; D908-A910 VanDerWaalsContact OD1-N 3.11Å; A910-L913 PolarHBondContact O-N 3.43Å; A910-E914 PolarHBondContact O-N 2.67Å |
| 911 | G | 80.1 | Confident | 68.6 | Low | 24 Ų | 24 | 110.3 Ų | 110.3 | 25% | 0.247 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -66.6 | -38.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D908 L913 E914 T915 | D908-G911 PolarHBondContact O-N 2.93Å; G911-L913 VanDerWaalsContact C-N 3.33Å; G911-E914 PolarHBondContact O-N 3.2Å; G911-T915 WeakPolarHBondContact O-CB 3.12Å; G911-T915 PolarHBondContact O-N 3.08Å; G911-T915 PolarHBondContact O-OG1 2.7Å |
| 912 | D | 84.3 | Confident | 71.3 | Confident | 93 Ų | 93 | 104.2 Ų | 104.2 | 50% | 0.497 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.3 | -40.4 | 174.2 | -72.1 | -28 | 0 | 0 | 0 | 110.9 | S907 D908 T915 L916 | S907-D912 PolarHBondContact OG-OD2 3.42Å; D908-D912 PolarHBondContact O-N 3.42Å; D908-D912 VanDerWaalsContact O-N 3.14Å; D912-T915 PolarHBondContact O-N 3.13Å; D912-L916 WeakPolarHBondContact O-CB 3.17Å; D912-L916 PolarHBondContact O-N 3.01Å |
| 913 | L | 82.5 | Confident | 73.7 | Confident | 106 Ų | 106 | 106 Ų | 106 | 56% | 0.555 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.9 | -44.4 | 175.8 | -160.7 | 81.2 | 0 | 0 | 0 | 112.1 | P909 A910 G911 T915 L916 I917 | P909-L913 VanDerWaalsContact O-CB 3.3Å; P909-L913 WeakPolarHBondContact O-CB 3.37Å; P909-L913 PolarHBondContact O-N 3.45Å; A910-L913 PolarHBondContact O-N 3.43Å; G911-L913 VanDerWaalsContact C-N 3.33Å; L913-T915 VanDerWaalsContact C-N 3.29Å; L913-T915 PolarHBondContact O-N 2.81Å; L913-L916 PolarHBondContact O-N 3.43Å; L913-I917 HydrophobicContact CD2-CD1 4.33Å; L913-I917 HydrophobicContact CG-CD1 4.14Å; L913-I917 WeakPolarHBondContact O-CB 3.14Å; L913-I917 VanDerWaalsContact O-CG1 3.25Å; L913-I917 WeakPolarHBondContact O-CG1 3.32Å; L913-I917 PolarHBondContact O-N 3.33Å |
| 914 | E | 87.2 | Confident | 76.1 | Confident | 144 Ų | 144 | 102.9 Ų | 102.9 | 67% | 0.673 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.9 | -41.5 | 175.2 | -101.2 | -173.5 | 164.8 | 0 | 0 | 111.5 | A910 G911 I917 R918 | A910-E914 PolarHBondContact O-N 2.67Å; G911-E914 PolarHBondContact O-N 3.2Å; E914-I917 PolarHBondContact O-N 3.43Å; E914-R918 VanDerWaalsContact O-CB 3.29Å; E914-R918 WeakPolarHBondContact O-CB 3.16Å; E914-R918 PolarHBondContact O-N 2.59Å |
| 915 | T | 88.3 | Confident | 78.5 | Confident | 79 Ų | 79 | 99 Ų | 99 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 177.8 | -55 | 0 | 0 | 0 | 0 | 111.2 | G911 D912 L913 R918 Q919 | G911-T915 WeakPolarHBondContact O-CB 3.12Å; G911-T915 PolarHBondContact O-N 3.08Å; G911-T915 PolarHBondContact O-OG1 2.7Å; D912-T915 PolarHBondContact O-N 3.13Å; L913-T915 VanDerWaalsContact C-N 3.29Å; L913-T915 PolarHBondContact O-N 2.81Å; T915-R918 PolarHBondContact O-N 3.25Å; T915-Q919 WeakPolarHBondContact O-CG 3.28Å; T915-Q919 PolarHBondContact O-N 2.72Å |
| 916 | L | 89.5 | Confident | 80 | Confident | 102 Ų | 102 | 97.7 Ų | 97.7 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65 | -46.1 | 177.2 | -162.4 | 80.4 | 0 | 0 | 0 | 111.5 | D912 L913 R918 Q919 V920 | D912-L916 WeakPolarHBondContact O-CB 3.17Å; D912-L916 PolarHBondContact O-N 3.01Å; L913-L916 PolarHBondContact O-N 3.43Å; L916-R918 VanDerWaalsContact C-N 3.29Å; L916-R918 PolarHBondContact O-N 3.31Å; L916-Q919 PolarHBondContact O-N 2.63Å; L916-V920 WeakPolarHBondContact O-CG2 2.9Å; L916-V920 PolarHBondContact O-N 3.45Å |
| 917 | I | 90.6 | Very high | 81.5 | Confident | 95 Ų | 95 | 99.8 Ų | 99.8 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.7 | -48.3 | 175.9 | -71 | 166.2 | 0 | 0 | 0 | 109.3 | L913 E914 Q919 V920 T921 | L913-I917 HydrophobicContact CD2-CD1 4.33Å; L913-I917 HydrophobicContact CG-CD1 4.14Å; L913-I917 WeakPolarHBondContact O-CB 3.14Å; L913-I917 VanDerWaalsContact O-CG1 3.25Å; L913-I917 WeakPolarHBondContact O-CG1 3.32Å; L913-I917 PolarHBondContact O-N 3.33Å; E914-I917 PolarHBondContact O-N 3.43Å; I917-Q919 VanDerWaalsContact C-N 3.34Å; I917-Q919 PolarHBondContact O-N 3.07Å; I917-V920 PolarHBondContact O-N 3.46Å; I917-T921 PolarHBondContact O-N 2.63Å; I917-T921 PolarHBondContact O-OG1 3.25Å |
| 918 | R | 89.8 | Confident | 82.2 | Confident | 189 Ų | 189 | 103.6 Ų | 103.6 | 71% | 0.713 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65 | -35.6 | -178.8 | -157.3 | 173.8 | 171.6 | -161.4 | -3.4 | 112.8 | E914 T915 L916 N922 | E914-R918 VanDerWaalsContact O-CB 3.29Å; E914-R918 WeakPolarHBondContact O-CB 3.16Å; E914-R918 PolarHBondContact O-N 2.59Å; T915-R918 PolarHBondContact O-N 3.25Å; L916-R918 VanDerWaalsContact C-N 3.29Å; L916-R918 PolarHBondContact O-N 3.31Å; R918-N922 WeakPolarHBondContact O-CB 3.49Å; R918-N922 PolarHBondContact O-N 3.35Å; R918-N922 PolarHBondContact O-ND2 2.85Å |
| 919 | Q | 90.4 | Very high | 82 | Confident | 113 Ų | 113 | 109.6 Ų | 109.6 | 53% | 0.528 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.1 | -41.2 | 173 | -78.1 | -176.2 | 5.5 | 0 | 0 | 112.5 | T915 L916 I917 K923 | T915-Q919 WeakPolarHBondContact O-CG 3.28Å; T915-Q919 PolarHBondContact O-N 2.72Å; L916-Q919 PolarHBondContact O-N 2.63Å; I917-Q919 VanDerWaalsContact C-N 3.34Å; I917-Q919 PolarHBondContact O-N 3.07Å; Q919-K923 PolarHBondContact O-N 3.46Å; Q919-K923 VanDerWaalsContact O-N 3.1Å |
| 920 | V | 89.9 | Confident | 81 | Confident | 77 Ų | 77 | 114.2 Ų | 114.2 | 47% | 0.467 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.1 | -45 | 178.4 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L916 I917 N922 K923 L924 | L916-V920 WeakPolarHBondContact O-CG2 2.9Å; L916-V920 PolarHBondContact O-N 3.45Å; I917-V920 PolarHBondContact O-N 3.46Å; V920-N922 PolarHBondContact O-N 3.3Å; V920-K923 PolarHBondContact O-N 3.41Å; V920-L924 HydrophobicContact CG1-CD1 4.01Å; V920-L924 PolarHBondContact O-N 3.32Å |
| 921 | T | 91.4 | Very high | 81.3 | Confident | 65 Ų | 65 | 117.1 Ų | 117.1 | 40% | 0.399 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.3 | -46 | 176.2 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | I917 K923 L924 D925 | I917-T921 PolarHBondContact O-N 2.63Å; I917-T921 PolarHBondContact O-OG1 3.25Å; T921-K923 VanDerWaalsContact C-N 3.28Å; T921-K923 PolarHBondContact O-N 2.61Å; T921-L924 PolarHBondContact O-N 2.86Å; T921-L924 VanDerWaalsContact O-N 3.17Å; T921-D925 PolarHBondContact O-N 3.05Å |
| 922 | N | 87.8 | Confident | 81.4 | Confident | 90 Ų | 90 | 121.9 Ų | 121.9 | 48% | 0.481 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.9 | -34.3 | 177.1 | -80.8 | -18.1 | 0 | 0 | 0 | 113.1 | R918 V920 Q926 | R918-N922 WeakPolarHBondContact O-CB 3.49Å; R918-N922 PolarHBondContact O-N 3.35Å; R918-N922 PolarHBondContact O-ND2 2.85Å; V920-N922 PolarHBondContact O-N 3.3Å; N922-Q926 WeakPolarHBondContact O-CB 3.15Å; N922-Q926 WeakPolarHBondContact O-CG 3.08Å; N922-Q926 PolarHBondContact O-N 3.24Å |
| 923 | K | 85.5 | Confident | 81.2 | Confident | 144 Ų | 144 | 123.6 Ų | 123.6 | 63% | 0.626 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.2 | -39.4 | 175.5 | -81.7 | -173.9 | 177.1 | -178.8 | 0 | 112.1 | Q919 V920 T921 Q926 Q927 | Q919-K923 PolarHBondContact O-N 3.46Å; Q919-K923 VanDerWaalsContact O-N 3.1Å; V920-K923 PolarHBondContact O-N 3.41Å; T921-K923 VanDerWaalsContact C-N 3.28Å; T921-K923 PolarHBondContact O-N 2.61Å; K923-Q926 PolarHBondContact O-N 3.14Å; K923-Q927 WeakPolarHBondContact O-CG 3.46Å; K923-Q927 PolarHBondContact O-N 3.28Å |
| 924 | L | 85.1 | Confident | 81.2 | Confident | 97 Ų | 97 | 124.6 Ų | 124.6 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.6 | -45.7 | 174.8 | -82.3 | 159.8 | 0 | 0 | 0 | 111.1 | V920 T921 Q926 Q927 E928 | V920-L924 HydrophobicContact CG1-CD1 4.01Å; V920-L924 PolarHBondContact O-N 3.32Å; T921-L924 PolarHBondContact O-N 2.86Å; T921-L924 VanDerWaalsContact O-N 3.17Å; L924-Q926 VanDerWaalsContact C-N 3.27Å; L924-Q926 PolarHBondContact O-N 2.81Å; L924-Q927 WeakPolarHBondContact O-CA 3.4Å; L924-Q927 WeakPolarHBondContact O-CB 3.19Å; L924-Q927 PolarHBondContact O-N 3.26Å; L924-E928 PolarHBondContact O-N 3.41Å |
| 925 | D | 85.1 | Confident | 80.8 | Confident | 74 Ų | 74 | 123.4 Ų | 123.4 | 40% | 0.396 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.2 | -34.2 | 176.7 | -73.4 | -4.5 | 0 | 0 | 0 | 112.3 | T921 R929 | T921-D925 PolarHBondContact O-N 3.05Å; D925-R929 WeakPolarHBondContact O-CG 3.43Å; D925-R929 PolarHBondContact O-N 3.26Å |
| 926 | Q | 74.3 | Confident | 80.3 | Confident | 129 Ų | 129 | 126.3 Ų | 126.3 | 60% | 0.603 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.1 | -38 | 172.7 | -81.6 | -178.3 | -4.1 | 0 | 0 | 112.1 | N922 K923 L924 R929 I930 | N922-Q926 WeakPolarHBondContact O-CB 3.15Å; N922-Q926 WeakPolarHBondContact O-CG 3.08Å; N922-Q926 PolarHBondContact O-N 3.24Å; K923-Q926 PolarHBondContact O-N 3.14Å; L924-Q926 VanDerWaalsContact C-N 3.27Å; L924-Q926 PolarHBondContact O-N 2.81Å; Q926-R929 PolarHBondContact O-N 3.16Å; Q926-I930 WeakPolarHBondContact O-CG1 3.27Å; Q926-I930 PolarHBondContact O-N 2.98Å |
| 927 | Q | 72.1 | Confident | 79.6 | Confident | 135 Ų | 135 | 128.1 Ų | 128.1 | 63% | 0.631 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.2 | -32.2 | 176.5 | -78.7 | -177.7 | -28.3 | 0 | 0 | 112.7 | K923 L924 R929 I930 | K923-Q927 WeakPolarHBondContact O-CG 3.46Å; K923-Q927 PolarHBondContact O-N 3.28Å; L924-Q927 WeakPolarHBondContact O-CA 3.4Å; L924-Q927 WeakPolarHBondContact O-CB 3.19Å; L924-Q927 PolarHBondContact O-N 3.26Å; Q927-R929 VanDerWaalsContact C-N 3.33Å; Q927-I930 VanDerWaalsContact O-OXT 3.09Å |
| 928 | E | 64.4 | Low | 78.8 | Confident | 166 Ų | 166 | 130.6 Ų | 130.6 | 78% | 0.776 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.9 | -21.2 | 174.1 | -79.7 | -169.4 | 157.3 | 0 | 0 | 113.6 | L924 | L924-E928 PolarHBondContact O-N 3.41Å |
| 929 | R | 59.7 | Low | 77.8 | Confident | 225 Ų | 225 | 125.8 Ų | 125.8 | 85% | 0.849 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -85 | -15.7 | 175.1 | -74.1 | -173.9 | -165.6 | -153.4 | 4.9 | 114 | D925 Q926 Q927 | D925-R929 WeakPolarHBondContact O-CG 3.43Å; D925-R929 PolarHBondContact O-N 3.26Å; Q926-R929 PolarHBondContact O-N 3.16Å; Q927-R929 VanDerWaalsContact C-N 3.33Å |
| 930 | I | 48.7 | Very low | 76.7 | Confident | 194 Ų | 194 | 126.9 Ų | 126.9 | 100% | 0.995 | 61% | 0.612 | S | S | * | * | trans | -89.9 | 0 | 173.2 | -64.8 | 168.3 | 0 | 0 | 0 | 107.8 | Q926 Q927 | Q926-I930 WeakPolarHBondContact O-CG1 3.27Å; Q926-I930 PolarHBondContact O-N 2.98Å; Q927-I930 VanDerWaalsContact O-OXT 3.09Å |
Retrieved 930 of 930 residues in 295.5 ms
(Link to these results)