| 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 | 28.6 | Very low | 39.9 | Very low | 239 Ų | 239 | 133.8 Ų | 133.8 | 100% | 1.177 | 77% | 0.769 | S | S | * | * | 0 | 86.2 | 0 | -73.3 | 179.2 | 133.4 | 0 | 0 | 108.4 | |||||
| 2 | C | 30.9 | Very low | 40.7 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 91% | 0.905 | 76% | 0.755 | S | S | * | * | trans | -171.7 | 66.6 | 170.5 | -89.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3 | T | 30.4 | Very low | 41.2 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 77% | 0.767 | 72% | 0.723 | S | S | * | * | trans | -132.1 | 140.3 | 167.1 | 40.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 4 | N | 36.8 | Very low | 41.5 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 87% | 0.866 | 71% | 0.713 | S | S | * | * | trans | 94.4 | 69.9 | -177.3 | -44.6 | -15.1 | 0 | 0 | 0 | 114.5 | ||||
| 5 | A | 37.6 | Very low | 42.1 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -138.2 | 9.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 6 | S | 40.8 | Very low | 42.1 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -116 | -11.7 | -177.5 | -83.1 | 0 | 0 | 0 | 0 | 117.2 | ||
| 7 | D | 44 | Very low | 42 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -97 | -14.1 | -174.9 | -65.9 | -27.6 | 0 | 0 | 0 | 114.7 | ||
| 8 | D | 46.9 | Very low | 41.8 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -75 | -28.8 | -177.8 | -81.2 | -25.8 | 0 | 0 | 0 | 113.7 | S10 N11 Q12 | D8-S10 VanDerWaalsContact C-N 3.3Å; D8-S10 PolarHBondContact O-N 3.49Å; D8-N11 PolarHBondContact O-N 3.19Å; D8-Q12 PolarHBondContact O-N 3.11Å |
| 9 | F | 44.3 | Very low | 42.2 | Very low | 172 Ų | 172 | 125.7 Ų | 125.7 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.6 | -27.1 | -178.2 | -138.4 | -92.9 | 0 | 0 | 0 | 112.7 | S13 | F9-S13 PolarHBondContact O-OG 2.9Å |
| 10 | S | 49.7 | Very low | 42.2 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 43% | 0.427 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -76.8 | -25.6 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 113.1 | D8 S13 K14 | D8-S10 VanDerWaalsContact C-N 3.3Å; D8-S10 PolarHBondContact O-N 3.49Å; S10-S13 PolarHBondContact O-OG 3.37Å; S10-K14 WeakPolarHBondContact O-CG 3.38Å |
| 11 | N | 48.7 | Very low | 42 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 56% | 0.556 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -88.8 | -35.8 | -179.7 | -85.8 | -21.4 | 0 | 0 | 0 | 112.4 | D8 K14 Q15 | D8-N11 PolarHBondContact O-N 3.19Å; N11-K14 PolarHBondContact O-N 3.49Å; N11-Q15 PolarHBondContact O-N 3.39Å |
| 12 | Q | 49.2 | Very low | 42.7 | Very low | 129 Ų | 129 | 115 Ų | 115 | 60% | 0.603 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.1 | -38.9 | 178.4 | -132.1 | 177 | 16.5 | 0 | 0 | 112.2 | D8 Q15 Q16 | D8-Q12 PolarHBondContact O-N 3.11Å; Q12-Q15 PolarHBondContact O-N 3.35Å; Q12-Q16 PolarHBondContact O-N 3.32Å |
| 13 | S | 47.6 | Very low | 43.3 | Very low | 48 Ų | 48 | 115.2 Ų | 115.2 | 34% | 0.336 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.5 | -39.5 | 176.3 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | F9 S10 Q16 I17 | F9-S13 PolarHBondContact O-OG 2.9Å; S10-S13 PolarHBondContact O-OG 3.37Å; S13-Q16 PolarHBondContact O-N 2.94Å; S13-I17 WeakPolarHBondContact O-CD1 3.22Å; S13-I17 VanDerWaalsContact O-CG1 3.24Å; S13-I17 WeakPolarHBondContact O-CG1 3.33Å; S13-I17 PolarHBondContact O-N 3.36Å |
| 14 | K | 46.2 | Very low | 44 | Very low | 134 Ų | 134 | 115.8 Ų | 115.8 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.4 | -39 | 174.6 | -78.1 | -177.2 | -178.8 | 176.1 | 0 | 112.4 | S10 N11 I17 C18 | S10-K14 WeakPolarHBondContact O-CG 3.38Å; N11-K14 PolarHBondContact O-N 3.49Å; K14-I17 PolarHBondContact O-N 2.97Å; K14-C18 PolarHBondContact O-N 3.49Å; K14-C18 VanDerWaalsContact O-N 3.15Å |
| 15 | Q | 49.6 | Very low | 44.2 | Very low | 144 Ų | 144 | 112.6 Ų | 112.6 | 67% | 0.673 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.8 | -40.2 | 174.9 | -80.5 | -174.9 | -13.2 | 0 | 0 | 112.4 | N11 Q12 I17 C18 V19 | N11-Q15 PolarHBondContact O-N 3.39Å; Q12-Q15 PolarHBondContact O-N 3.35Å; Q15-I17 PolarHBondContact O-N 2.97Å; Q15-C18 PolarHBondContact O-N 3.01Å; Q15-V19 WeakPolarHBondContact O-CG2 3.47Å; Q15-V19 PolarHBondContact O-N 3.35Å; Q15-V19 VanDerWaalsContact O-N 3.12Å |
| 16 | Q | 41.7 | Very low | 44.4 | Very low | 133 Ų | 133 | 114.6 Ų | 114.6 | 62% | 0.621 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.4 | -35.8 | 176.3 | -83.7 | -173.3 | -7.9 | 0 | 0 | 113.1 | Q12 S13 C18 V19 L20 | Q12-Q16 PolarHBondContact O-N 3.32Å; S13-Q16 PolarHBondContact O-N 2.94Å; Q16-C18 VanDerWaalsContact C-N 3.32Å; Q16-C18 PolarHBondContact O-N 2.93Å; Q16-V19 PolarHBondContact O-N 3.41Å; Q16-L20 PolarHBondContact O-N 2.94Å; Q16-L20 VanDerWaalsContact O-N 3.13Å |
| 17 | I | 41.8 | Very low | 44.6 | Very low | 123 Ų | 123 | 113.3 Ų | 113.3 | 63% | 0.631 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.7 | -36.5 | 176.2 | -66.6 | 164.6 | 0 | 0 | 0 | 110.8 | S13 K14 Q15 V19 L20 G21 | S13-I17 WeakPolarHBondContact O-CD1 3.22Å; S13-I17 VanDerWaalsContact O-CG1 3.24Å; S13-I17 WeakPolarHBondContact O-CG1 3.33Å; S13-I17 PolarHBondContact O-N 3.36Å; K14-I17 PolarHBondContact O-N 2.97Å; Q15-I17 PolarHBondContact O-N 2.97Å; I17-V19 PolarHBondContact O-N 2.93Å; I17-L20 PolarHBondContact O-N 3.46Å; I17-G21 PolarHBondContact O-N 3.21Å |
| 18 | C | 38.1 | Very low | 44.3 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 66% | 0.662 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.4 | -28.8 | 174.3 | -80.7 | 0 | 0 | 0 | 0 | 113.7 | K14 Q15 Q16 | K14-C18 PolarHBondContact O-N 3.49Å; K14-C18 VanDerWaalsContact O-N 3.15Å; Q15-C18 PolarHBondContact O-N 3.01Å; Q16-C18 VanDerWaalsContact C-N 3.32Å; Q16-C18 PolarHBondContact O-N 2.93Å |
| 19 | V | 48.5 | Very low | 44 | Very low | 108 Ų | 108 | 118.1 Ų | 118.1 | 66% | 0.655 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -76 | -34.2 | 176.3 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | Q15 Q16 I17 G21 | Q15-V19 WeakPolarHBondContact O-CG2 3.47Å; Q15-V19 PolarHBondContact O-N 3.35Å; Q15-V19 VanDerWaalsContact O-N 3.12Å; Q16-V19 PolarHBondContact O-N 3.41Å; I17-V19 PolarHBondContact O-N 2.93Å; V19-G21 VanDerWaalsContact C-N 3.33Å |
| 20 | L | 43.1 | Very low | 43.9 | Very low | 132 Ų | 132 | 115.6 Ų | 115.6 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76 | -20.2 | 176.5 | -80.3 | 157.2 | 0 | 0 | 0 | 113.4 | Q16 I17 C22 | Q16-L20 PolarHBondContact O-N 2.94Å; Q16-L20 VanDerWaalsContact O-N 3.13Å; I17-L20 PolarHBondContact O-N 3.46Å; L20-C22 VanDerWaalsContact C-N 3.34Å; L20-C22 PolarHBondContact O-N 3.42Å |
| 21 | G | 37.8 | Very low | 43.3 | Very low | 46 Ų | 46 | 124 Ų | 124 | 47% | 0.474 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.4 | -20.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | I17 V19 | I17-G21 PolarHBondContact O-N 3.21Å; V19-G21 VanDerWaalsContact C-N 3.33Å |
| 22 | C | 43.1 | Very low | 42.8 | Very low | 87 Ų | 87 | 124.8 Ų | 124.8 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -99 | -13.1 | -173.2 | -78 | 0 | 0 | 0 | 0 | 115.6 | L20 L24 | L20-C22 VanDerWaalsContact C-N 3.34Å; L20-C22 PolarHBondContact O-N 3.42Å; C22-L24 VanDerWaalsContact C-N 3.29Å; C22-L24 PolarHBondContact O-N 2.87Å |
| 23 | N | 43.8 | Very low | 42.3 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -8.9 | -179.4 | -80 | -9.6 | 0 | 0 | 0 | 114.2 | ||
| 24 | L | 44.8 | Very low | 41.8 | Very low | 137 Ų | 137 | 130.7 Ų | 130.7 | 72% | 0.717 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -11.7 | 176.5 | -89.2 | 147 | 0 | 0 | 0 | 113.9 | C22 | C22-L24 VanDerWaalsContact C-N 3.29Å; C22-L24 PolarHBondContact O-N 2.87Å |
| 25 | C | 41.7 | Very low | 41.5 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -9.4 | 179.2 | -65.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 26 | N | 41.4 | Very low | 40.9 | Very low | 142 Ų | 142 | 133.9 Ų | 133.9 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 6.4 | -178.3 | -76 | 5.4 | 0 | 0 | 0 | 114.7 | ||
| 27 | S | 43.4 | Very low | 40.9 | Very low | 80 Ų | 80 | 134.7 Ų | 134.7 | 56% | 0.559 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -100.6 | -6.8 | 178 | 75.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 28 | E | 39.7 | Very low | 40.6 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -81.5 | -13 | 178.7 | -82.6 | -179.4 | 162 | 0 | 0 | 114 | ||
| 29 | E | 40.7 | Very low | 40.8 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -90.3 | -2.3 | -176.9 | -100.8 | -177.9 | 172 | 0 | 0 | 116.4 | ||
| 30 | T | 41.1 | Very low | 40.3 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -109.6 | 11.6 | -175.8 | 38.1 | 0 | 0 | 0 | 0 | 117 | ||
| 31 | R | 36.1 | Very low | 40.1 | Very low | 237 Ų | 237 | 144.9 Ų | 144.9 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -107.2 | 5.8 | 178 | -93.1 | -177.2 | 131.7 | 121.5 | -4.7 | 117.3 | ||
| 32 | S | 39.3 | Very low | 40.2 | Very low | 122 Ų | 122 | 147.7 Ų | 147.7 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | trans | -101.7 | 59.2 | 172.4 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 33 | S | 38.4 | Very low | 39.7 | Very low | 93 Ų | 93 | 153.9 Ų | 153.9 | 65% | 0.65 | 77% | 0.768 | S | S | * | * | trans | -133.3 | 47.4 | 160.9 | 78.1 | 0 | 0 | 0 | 0 | 110.7 | H35 | S33-H35 PolarHBondContact O-N 3.41Š| ||
| 34 | F | 37.6 | Very low | 39.5 | Very low | 207 Ų | 207 | 153.4 Ų | 153.4 | 91% | 0.908 | 77% | 0.77 | S | S | * | * | trans | -73.1 | 87.8 | 158.5 | -104.5 | -88 | 0 | 0 | 0 | 107.4 | K36 | F34-K36 PolarHBondContact O-N 3.41Å; F34-K36 VanDerWaalsContact O-N 3.11Å | ||
| 35 | H | 39.3 | Very low | 39.1 | Very low | 159 Ų | 159 | 156 Ų | 156 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -47.6 | 114.5 | 167.1 | -99.6 | -73.4 | 0 | 0 | 0 | 109.1 | S33 Q37 | S33-H35 PolarHBondContact O-N 3.41Å; H35-Q37 PolarHBondContact O-N 3.3Å | ||
| 36 | K | 38.1 | Very low | 38.8 | Very low | 187 Ų | 187 | 154.7 Ų | 154.7 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | -59.2 | 85.8 | 153.4 | -99.5 | 178.2 | 169.4 | 177.2 | 0 | 107.6 | F34 N38 | F34-K36 PolarHBondContact O-N 3.41Å; F34-K36 VanDerWaalsContact O-N 3.11Å; K36-N38 VanDerWaalsContact C-N 3.3Å; K36-N38 PolarHBondContact O-N 2.98Å | ||
| 37 | Q | 41.1 | Very low | 38.7 | Very low | 149 Ų | 149 | 155.1 Ų | 155.1 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | trans | -82.6 | 88.4 | 157 | -80.3 | -173.3 | -13 | 0 | 0 | 106.7 | H35 N39 | H35-Q37 PolarHBondContact O-N 3.3Å; Q37-N39 PolarHBondContact O-N 3.2Å | ||
| 38 | N | 36 | Very low | 38.8 | Very low | 140 Ų | 140 | 159.5 Ų | 159.5 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -67.3 | 88.1 | 159.2 | -79.7 | -12 | 0 | 0 | 0 | 106.6 | K36 E40 | K36-N38 VanDerWaalsContact C-N 3.3Å; K36-N38 PolarHBondContact O-N 2.98Å; N38-E40 PolarHBondContact O-N 2.89Å | ||
| 39 | N | 42.4 | Very low | 39.2 | Very low | 117 Ų | 117 | 157.1 Ų | 157.1 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | trans | -75.4 | 115.1 | 168.1 | -72.7 | -14.2 | 0 | 0 | 0 | 107.5 | Q37 W41 | Q37-N39 PolarHBondContact O-N 3.2Å; N39-W41 PolarHBondContact O-N 2.88Å | ||
| 40 | E | 36.4 | Very low | 39.7 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -52.7 | 124.2 | 169.8 | -80 | 172 | 145.9 | 0 | 0 | 109.8 | N38 S42 | N38-E40 PolarHBondContact O-N 2.89Å; E40-S42 PolarHBondContact O-N 3.29Å; E40-S42 VanDerWaalsContact O-N 3.16Å | ||
| 41 | W | 39.5 | Very low | 40.3 | Very low | 232 Ų | 232 | 151.7 Ų | 151.7 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -78.6 | 95.9 | 178.5 | -74.1 | 72.4 | 0 | 0 | 0 | 109.5 | N39 Y43 | N39-W41 PolarHBondContact O-N 2.88Å; W41-Y43 PolarHBondContact O-N 3.47Å | ||
| 42 | S | 39.6 | Very low | 41 | Very low | 105 Ų | 105 | 146.9 Ų | 146.9 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -77.8 | 108 | 165.8 | -61.7 | 0 | 0 | 0 | 0 | 109.3 | E40 T44 | E40-S42 PolarHBondContact O-N 3.29Å; E40-S42 VanDerWaalsContact O-N 3.16Å; S42-T44 PolarHBondContact O-N 3.47Å; S42-T44 VanDerWaalsContact O-N 3.15Å | ||
| 43 | Y | 32.6 | Very low | 41.8 | Very low | 217 Ų | 217 | 147 Ų | 147 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | trans | -70.6 | 99.2 | 173.2 | -90.6 | -97.4 | 0 | 0 | 0 | 110.1 | W41 | W41-Y43 PolarHBondContact O-N 3.47Š| ||
| 44 | T | 41.3 | Very low | 42.7 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | -119.9 | 113.2 | 167.2 | 40.5 | 0 | 0 | 0 | 0 | 111.2 | S42 | S42-T44 PolarHBondContact O-N 3.47Å; S42-T44 VanDerWaalsContact O-N 3.15Å | ||
| 45 | H | 35.5 | Very low | 43.7 | Very low | 192 Ų | 192 | 144.3 Ų | 144.3 | 89% | 0.889 | 72% | 0.724 | S | S | * | * | trans | -6 | 125.4 | 161.6 | -73.5 | -83.5 | 0 | 0 | 0 | 118.6 | ||||
| 46 | G | 35.2 | Very low | 45 | Very low | 69 Ų | 69 | 142 Ų | 142 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | 97.3 | 96.1 | 123.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 47 | N | 38.9 | Very low | 46.6 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 81% | 0.807 | 70% | 0.7 | S | S | * | * | S | Bend | 54.4 | 77 | 121.1 | -143.3 | 22.8 | 0 | 0 | 0 | 114.4 | |||
| 48 | Q | 46.1 | Very low | 48.2 | Very low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 70% | 0.696 | S | S | * | * | S | Bend | -168.8 | 10.4 | 102.3 | -92 | 174.5 | -7.7 | 0 | 0 | 113 | |||
| 49 | N | 49.2 | Very low | 50.3 | Low | 129 Ų | 129 | 133.8 Ų | 133.8 | 69% | 0.69 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -98.4 | -1.3 | -176.8 | -90.6 | 5.7 | 0 | 0 | 0 | 114.9 | D51 H52 L53 | N49-D51 VanDerWaalsContact C-N 3.34Å; N49-D51 PolarHBondContact O-N 2.83Å; N49-H52 PolarHBondContact O-N 3.49Å; N49-L53 WeakPolarHBondContact O-CB 3.42Å; N49-L53 PolarHBondContact O-N 3.42Å |
| 50 | S | 49.9 | Very low | 52.2 | Low | 74 Ų | 74 | 132.3 Ų | 132.3 | 52% | 0.517 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -63.8 | -39.3 | -177.2 | 54.6 | 0 | 0 | 0 | 0 | 112.2 | L53 H54 | S50-L53 PolarHBondContact O-N 3.28Å; S50-H54 WeakPolarHBondContact O-CB 3.36Å; S50-H54 PolarHBondContact O-N 2.98Å |
| 51 | D | 54.1 | Low | 54.5 | Low | 121 Ų | 121 | 130 Ų | 130 | 65% | 0.647 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70 | -38.7 | -177.1 | -68.1 | -6.6 | 0 | 0 | 0 | 111.3 | N49 H54 Q55 | N49-D51 VanDerWaalsContact C-N 3.34Å; N49-D51 PolarHBondContact O-N 2.83Å; D51-H54 PolarHBondContact O-N 2.99Å; D51-Q55 WeakPolarHBondContact O-CB 3.32Å; D51-Q55 WeakPolarHBondContact O-CG 3.43Å; D51-Q55 PolarHBondContact O-N 3.2Å |
| 52 | H | 50.5 | Low | 56.7 | Low | 136 Ų | 136 | 121.3 Ų | 121.3 | 63% | 0.63 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.1 | -39.4 | 176.1 | -122.5 | -43.5 | 0 | 0 | 0 | 111.9 | N49 Q56 | N49-H52 PolarHBondContact O-N 3.49Å; H52-Q56 VanDerWaalsContact O-CB 3.26Å; H52-Q56 WeakPolarHBondContact O-CB 3.35Å; H52-Q56 PolarHBondContact O-N 2.68Å |
| 53 | L | 55.9 | Low | 59 | Low | 123 Ų | 123 | 121.2 Ų | 121.2 | 64% | 0.644 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.1 | -40.8 | 176.4 | -164.4 | 73.1 | 0 | 0 | 0 | 111.5 | N49 S50 Q56 D57 | N49-L53 WeakPolarHBondContact O-CB 3.42Å; N49-L53 PolarHBondContact O-N 3.42Å; S50-L53 PolarHBondContact O-N 3.28Å; L53-Q56 PolarHBondContact O-N 2.72Å; L53-D57 WeakPolarHBondContact O-CB 3.34Å; L53-D57 PolarHBondContact O-N 3.36Å |
| 54 | H | 56.8 | Low | 61.8 | Low | 123 Ų | 123 | 115.6 Ų | 115.6 | 57% | 0.569 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.8 | -39.5 | 176.6 | -112.3 | -30.6 | 0 | 0 | 0 | 112.3 | S50 D51 Q58 | S50-H54 WeakPolarHBondContact O-CB 3.36Å; S50-H54 PolarHBondContact O-N 2.98Å; D51-H54 PolarHBondContact O-N 2.99Å; H54-Q58 WeakPolarHBondContact O-CB 3.34Å; H54-Q58 WeakPolarHBondContact O-CG 3.37Å; H54-Q58 PolarHBondContact O-N 3.12Å |
| 55 | Q | 60.5 | Low | 64.1 | Low | 121 Ų | 121 | 113.5 Ų | 113.5 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.3 | -43.9 | 173 | -81.8 | 176.9 | -11.4 | 0 | 0 | 111.3 | D51 Q58 T59 | D51-Q55 WeakPolarHBondContact O-CB 3.32Å; D51-Q55 WeakPolarHBondContact O-CG 3.43Å; D51-Q55 PolarHBondContact O-N 3.2Å; Q55-Q58 PolarHBondContact O-N 3.49Å; Q55-T59 WeakPolarHBondContact O-CG2 3.4Å; Q55-T59 PolarHBondContact O-N 3.46Å; Q55-T59 PolarHBondContact O-OG1 2.79Å; Q55-T59 VanDerWaalsContact O-OG1 3.11Å |
| 56 | Q | 65.4 | Low | 66.8 | Low | 110 Ų | 110 | 109.2 Ų | 109.2 | 51% | 0.514 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.4 | -39.3 | 178.4 | -170 | 173.5 | 2.6 | 0 | 0 | 112.3 | H52 L53 T59 N60 | H52-Q56 VanDerWaalsContact O-CB 3.26Å; H52-Q56 WeakPolarHBondContact O-CB 3.35Å; H52-Q56 PolarHBondContact O-N 2.68Å; L53-Q56 PolarHBondContact O-N 2.72Å; Q56-T59 WeakPolarHBondContact CA-OG1 3.32Å; Q56-T59 PolarHBondContact O-N 3.5Å; Q56-T59 PolarHBondContact O-OG1 2.87Å; Q56-N60 VanDerWaalsContact O-CB 3.27Å; Q56-N60 WeakPolarHBondContact O-CB 3.32Å; Q56-N60 PolarHBondContact O-N 3.34Å; Q56-N60 PolarHBondContact O-ND2 2.84Å; Q56-N60 PolarHBondContact O-OD1 3.28Å |
| 57 | D | 71.9 | Confident | 69.5 | Low | 98 Ų | 98 | 112 Ų | 112 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.3 | -39.6 | 175.3 | -169.3 | 43.2 | 0 | 0 | 0 | 111.5 | L53 N60 K61 | L53-D57 WeakPolarHBondContact O-CB 3.34Å; L53-D57 PolarHBondContact O-N 3.36Å; D57-N60 PolarHBondContact O-N 3.29Å; D57-K61 VanDerWaalsContact O-CB 3.27Å; D57-K61 WeakPolarHBondContact O-CB 3.29Å; D57-K61 PolarHBondContact O-N 3.41Å |
| 58 | Q | 75 | Confident | 72.2 | Confident | 133 Ų | 133 | 109.3 Ų | 109.3 | 62% | 0.621 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.1 | -42.3 | 173.8 | -76.4 | -170.8 | 3.9 | 0 | 0 | 112.7 | H54 Q55 K61 S62 | H54-Q58 WeakPolarHBondContact O-CB 3.34Å; H54-Q58 WeakPolarHBondContact O-CG 3.37Å; H54-Q58 PolarHBondContact O-N 3.12Å; Q55-Q58 PolarHBondContact O-N 3.49Å; Q58-K61 PolarHBondContact O-N 3.13Å; Q58-S62 WeakPolarHBondContact O-CB 3.38Å; Q58-S62 PolarHBondContact O-N 3.45Å |
| 59 | T | 79.9 | Confident | 74.4 | Confident | 74 Ų | 74 | 105.6 Ų | 105.6 | 45% | 0.454 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 175.3 | 51.8 | 0 | 0 | 0 | 0 | 111 | Q55 Q56 K61 S62 D63 | Q55-T59 WeakPolarHBondContact O-CG2 3.4Å; Q55-T59 PolarHBondContact O-N 3.46Å; Q55-T59 PolarHBondContact O-OG1 2.79Å; Q55-T59 VanDerWaalsContact O-OG1 3.11Å; Q56-T59 WeakPolarHBondContact CA-OG1 3.32Å; Q56-T59 PolarHBondContact O-N 3.5Å; Q56-T59 PolarHBondContact O-OG1 2.87Å; T59-K61 VanDerWaalsContact C-N 3.32Å; T59-K61 PolarHBondContact O-N 2.98Å; T59-S62 WeakPolarHBondContact O-CB 3.38Å; T59-S62 PolarHBondContact O-N 3.16Å; T59-S62 VanDerWaalsContact O-N 3.16Å; T59-D63 WeakPolarHBondContact O-CB 3.44Å; T59-D63 VanDerWaalsContact O-CG 3.26Å; T59-D63 PolarHBondContact O-N 2.88Å |
| 60 | N | 81.2 | Confident | 76.6 | Confident | 86 Ų | 86 | 103.9 Ų | 103.9 | 46% | 0.46 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 176.4 | -72 | -17.6 | 0 | 0 | 0 | 112.2 | Q56 D57 L64 | Q56-N60 VanDerWaalsContact O-CB 3.27Å; Q56-N60 WeakPolarHBondContact O-CB 3.32Å; Q56-N60 PolarHBondContact O-N 3.34Å; Q56-N60 PolarHBondContact O-ND2 2.84Å; Q56-N60 PolarHBondContact O-OD1 3.28Å; D57-N60 PolarHBondContact O-N 3.29Å; N60-L64 WeakPolarHBondContact O-CB 3.43Å; N60-L64 PolarHBondContact O-N 3.17Å |
| 61 | K | 85.7 | Confident | 78.6 | Confident | 137 Ų | 137 | 105.5 Ų | 105.5 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.6 | -40.6 | 175.8 | -175.5 | 176.8 | 178.9 | 179.8 | 0 | 111.9 | D57 Q58 T59 L64 L65 | D57-K61 VanDerWaalsContact O-CB 3.27Å; D57-K61 WeakPolarHBondContact O-CB 3.29Å; D57-K61 PolarHBondContact O-N 3.41Å; Q58-K61 PolarHBondContact O-N 3.13Å; T59-K61 VanDerWaalsContact C-N 3.32Å; T59-K61 PolarHBondContact O-N 2.98Å; K61-L64 PolarHBondContact O-N 2.91Å; K61-L65 HydrophobicContact CG-CD1 4.22Å; K61-L65 WeakPolarHBondContact O-CB 3.28Å; K61-L65 WeakPolarHBondContact O-CG 3.47Å; K61-L65 PolarHBondContact O-N 3.41Å |
| 62 | S | 85.8 | Confident | 80.5 | Confident | 50 Ų | 50 | 104.5 Ų | 104.5 | 35% | 0.35 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 174.9 | -164.6 | 0 | 0 | 0 | 0 | 111 | Q58 T59 L64 L65 H66 | Q58-S62 WeakPolarHBondContact O-CB 3.38Å; Q58-S62 PolarHBondContact O-N 3.45Å; T59-S62 WeakPolarHBondContact O-CB 3.38Å; T59-S62 PolarHBondContact O-N 3.16Å; T59-S62 VanDerWaalsContact O-N 3.16Å; S62-L64 PolarHBondContact O-N 3.37Å; S62-L65 PolarHBondContact O-N 3.32Å; S62-H66 WeakPolarHBondContact O-CB 3.49Å; S62-H66 PolarHBondContact O-CD2 3.41Å; S62-H66 PolarHBondContact O-N 3.01Å |
| 63 | D | 88.2 | Confident | 82.6 | Confident | 102 Ų | 102 | 101.7 Ų | 101.7 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 177.7 | -69.6 | -18.5 | 0 | 0 | 0 | 111.8 | T59 H66 K67 | T59-D63 WeakPolarHBondContact O-CB 3.44Å; T59-D63 VanDerWaalsContact O-CG 3.26Å; T59-D63 PolarHBondContact O-N 2.88Å; D63-H66 PolarHBondContact O-N 3.5Å; D63-K67 WeakPolarHBondContact O-CB 3.43Å; D63-K67 PolarHBondContact O-N 3.04Å |
| 64 | L | 90 | Very high | 84.4 | Confident | 99 Ų | 99 | 101.5 Ų | 101.5 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 174.5 | -176.2 | 67.1 | 0 | 0 | 0 | 111.8 | N60 K61 S62 K67 Q68 | N60-L64 WeakPolarHBondContact O-CB 3.43Å; N60-L64 PolarHBondContact O-N 3.17Å; K61-L64 PolarHBondContact O-N 2.91Å; S62-L64 PolarHBondContact O-N 3.37Å; L64-K67 PolarHBondContact O-N 3Å; L64-Q68 WeakPolarHBondContact O-CG 3.44Å; L64-Q68 PolarHBondContact O-N 2.92Å |
| 65 | L | 90.4 | Very high | 86.2 | Confident | 84 Ų | 84 | 104.6 Ų | 104.6 | 44% | 0.44 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 176.4 | -78.9 | 166.9 | 0 | 0 | 0 | 111.4 | K61 S62 K67 Q68 I69 | K61-L65 HydrophobicContact CG-CD1 4.22Å; K61-L65 WeakPolarHBondContact O-CB 3.28Å; K61-L65 WeakPolarHBondContact O-CG 3.47Å; K61-L65 PolarHBondContact O-N 3.41Å; S62-L65 PolarHBondContact O-N 3.32Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 2.79Å; L65-Q68 PolarHBondContact O-N 3.15Å; L65-I69 WeakPolarHBondContact O-CB 3.38Å; L65-I69 VanDerWaalsContact O-CG1 3.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 2.95Å |
| 66 | H | 92.3 | Very high | 87.8 | Confident | 103 Ų | 103 | 104.9 Ų | 104.9 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 174.8 | -77.7 | -57.1 | 0 | 0 | 0 | 111.8 | S62 D63 I69 N70 | S62-H66 WeakPolarHBondContact O-CB 3.49Å; S62-H66 PolarHBondContact O-CD2 3.41Å; S62-H66 PolarHBondContact O-N 3.01Å; D63-H66 PolarHBondContact O-N 3.5Å; H66-I69 PolarHBondContact O-N 3.35Å; H66-N70 WeakPolarHBondContact O-CB 3.03Å; H66-N70 PolarHBondContact O-N 3.07Å; H66-N70 PolarHBondContact O-ND2 2.84Å |
| 67 | K | 92.3 | Very high | 89.2 | Confident | 127 Ų | 127 | 102.2 Ų | 102.2 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -45.6 | 175.3 | -171.1 | 176.9 | -180 | 178.7 | 0 | 111.7 | D63 L64 L65 N70 E71 | D63-K67 WeakPolarHBondContact O-CB 3.43Å; D63-K67 PolarHBondContact O-N 3.04Å; L64-K67 PolarHBondContact O-N 3Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 2.79Å; K67-N70 PolarHBondContact O-N 2.67Å; K67-E71 WeakPolarHBondContact CE-OE1 3.48Å; K67-E71 WeakPolarHBondContact O-CG 3.47Å; K67-E71 PolarHBondContact O-N 2.89Å |
| 68 | Q | 94.4 | Very high | 90.3 | Very high | 95 Ų | 95 | 104.9 Ų | 104.9 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.4 | -74.5 | 179.1 | -24.7 | 0 | 0 | 112.4 | L64 L65 N70 E71 L72 | L64-Q68 WeakPolarHBondContact O-CG 3.44Å; L64-Q68 PolarHBondContact O-N 2.92Å; L65-Q68 PolarHBondContact O-N 3.15Å; Q68-N70 VanDerWaalsContact C-N 3.35Å; Q68-E71 PolarHBondContact O-N 3.27Å; Q68-L72 WeakPolarHBondContact O-CB 3.36Å; Q68-L72 WeakPolarHBondContact O-CG 3.43Å; Q68-L72 PolarHBondContact O-N 3.24Å |
| 69 | I | 94 | Very high | 91.3 | Very high | 92 Ų | 92 | 105.5 Ų | 105.5 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 176 | -70.7 | 165.7 | 0 | 0 | 0 | 110.2 | L65 H66 L72 T73 | L65-I69 WeakPolarHBondContact O-CB 3.38Å; L65-I69 VanDerWaalsContact O-CG1 3.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 2.95Å; H66-I69 PolarHBondContact O-N 3.35Å; I69-L72 PolarHBondContact O-N 3.5Å; I69-T73 VanDerWaalsContact O-CB 3.29Å; I69-T73 WeakPolarHBondContact O-CB 3.4Å; I69-T73 PolarHBondContact O-N 3.45Å; I69-T73 PolarHBondContact O-OG1 2.98Å |
| 70 | N | 93.5 | Very high | 92 | Very high | 94 Ų | 94 | 106.4 Ų | 106.4 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 178.1 | -69.8 | -14 | 0 | 0 | 0 | 111.6 | H66 K67 Q68 L72 T73 E74 | H66-N70 WeakPolarHBondContact O-CB 3.03Å; H66-N70 PolarHBondContact O-N 3.07Å; H66-N70 PolarHBondContact O-ND2 2.84Å; K67-N70 PolarHBondContact O-N 2.67Å; Q68-N70 VanDerWaalsContact C-N 3.35Å; N70-L72 PolarHBondContact O-N 3.47Å; N70-T73 PolarHBondContact O-N 2.97Å; N70-E74 WeakPolarHBondContact O-CG 3.42Å; N70-E74 PolarHBondContact O-N 3.44Å |
| 71 | E | 92.7 | Very high | 92.7 | Very high | 107 Ų | 107 | 108.2 Ų | 108.2 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 176.8 | -73.7 | 175.1 | -170.8 | 0 | 0 | 112.2 | K67 Q68 R75 | K67-E71 WeakPolarHBondContact CE-OE1 3.48Å; K67-E71 WeakPolarHBondContact O-CG 3.47Å; K67-E71 PolarHBondContact O-N 2.89Å; Q68-E71 PolarHBondContact O-N 3.27Å; E71-R75 WeakPolarHBondContact O-CB 3.5Å; E71-R75 PolarHBondContact O-N 2.96Å |
| 72 | L | 94.4 | Very high | 93.2 | Very high | 101 Ų | 101 | 110.8 Ų | 110.8 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 175 | -72.9 | 174.3 | 0 | 0 | 0 | 111.6 | Q68 I69 N70 E74 R75 E76 | Q68-L72 WeakPolarHBondContact O-CB 3.36Å; Q68-L72 WeakPolarHBondContact O-CG 3.43Å; Q68-L72 PolarHBondContact O-N 3.24Å; I69-L72 PolarHBondContact O-N 3.5Å; N70-L72 PolarHBondContact O-N 3.47Å; L72-E74 VanDerWaalsContact C-N 3.35Å; L72-E74 PolarHBondContact O-N 2.95Å; L72-R75 WeakPolarHBondContact O-CB 3.43Å; L72-R75 PolarHBondContact O-N 3.29Å; L72-E76 WeakPolarHBondContact O-CG 3.41Å; L72-E76 PolarHBondContact O-N 3Å |
| 73 | T | 94.9 | Very high | 93.7 | Very high | 77 Ų | 77 | 111.4 Ų | 111.4 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 178.2 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | I69 N70 E76 S77 | I69-T73 VanDerWaalsContact O-CB 3.29Å; I69-T73 WeakPolarHBondContact O-CB 3.4Å; I69-T73 PolarHBondContact O-N 3.45Å; I69-T73 PolarHBondContact O-OG1 2.98Å; N70-T73 PolarHBondContact O-N 2.97Å; T73-E76 PolarHBondContact O-N 3.4Å; T73-S77 WeakPolarHBondContact O-CB 3.46Å; T73-S77 PolarHBondContact O-N 2.95Å |
| 74 | E | 93.9 | Very high | 94 | Very high | 118 Ų | 118 | 112 Ų | 112 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.8 | -46 | 173.9 | -75.7 | -180 | -173.7 | 0 | 0 | 111.2 | N70 L72 E76 S77 Y78 | N70-E74 WeakPolarHBondContact O-CG 3.42Å; N70-E74 PolarHBondContact O-N 3.44Å; L72-E74 VanDerWaalsContact C-N 3.35Å; L72-E74 PolarHBondContact O-N 2.95Å; E74-E76 VanDerWaalsContact C-N 3.32Å; E74-E76 PolarHBondContact O-N 3.47Å; E74-S77 WeakPolarHBondContact O-CB 3.35Å; E74-S77 PolarHBondContact O-N 3.37Å; E74-Y78 WeakPolarHBondContact O-CD2 3.42Å; E74-Y78 PolarHBondContact O-N 3.05Å |
| 75 | R | 94.2 | Very high | 94.3 | Very high | 189 Ų | 189 | 112.2 Ų | 112.2 | 71% | 0.713 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -40.1 | 178.3 | -166.9 | 178.4 | -168.2 | 175.3 | 4.7 | 112.1 | E71 L72 Y78 K79 | E71-R75 WeakPolarHBondContact O-CB 3.5Å; E71-R75 PolarHBondContact O-N 2.96Å; L72-R75 WeakPolarHBondContact O-CB 3.43Å; L72-R75 PolarHBondContact O-N 3.29Å; R75-Y78 PolarHBondContact O-N 3.31Å; R75-K79 WeakPolarHBondContact O-CB 3.35Å; R75-K79 PolarHBondContact O-N 2.95Å |
| 76 | E | 94.6 | Very high | 94.6 | Very high | 127 Ų | 127 | 115 Ų | 115 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -43.1 | 174.3 | -74.8 | -176 | 165.5 | 0 | 0 | 111.6 | L72 T73 E74 Y78 K79 I80 | L72-E76 WeakPolarHBondContact O-CG 3.41Å; L72-E76 PolarHBondContact O-N 3Å; T73-E76 PolarHBondContact O-N 3.4Å; E74-E76 VanDerWaalsContact C-N 3.32Å; E74-E76 PolarHBondContact O-N 3.47Å; E76-Y78 PolarHBondContact O-N 3.29Å; E76-K79 WeakPolarHBondContact O-CB 3.06Å; E76-K79 PolarHBondContact O-N 3.45Å; E76-I80 WeakPolarHBondContact O-CG1 3.48Å; E76-I80 PolarHBondContact O-N 2.89Å |
| 77 | S | 94.7 | Very high | 94.8 | Very high | 54 Ų | 54 | 114.1 Ų | 114.1 | 38% | 0.378 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 174.3 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | T73 E74 K79 I80 K81 | T73-S77 WeakPolarHBondContact O-CB 3.46Å; T73-S77 PolarHBondContact O-N 2.95Å; E74-S77 WeakPolarHBondContact O-CB 3.35Å; E74-S77 PolarHBondContact O-N 3.37Å; S77-K79 VanDerWaalsContact C-N 3.34Å; S77-K79 PolarHBondContact O-N 2.9Å; S77-I80 PolarHBondContact O-N 3.41Å; S77-K81 WeakPolarHBondContact O-CG 3.49Å; S77-K81 PolarHBondContact O-N 3.45Å |
| 78 | Y | 94.5 | Very high | 95 | Very high | 153 Ų | 153 | 114.3 Ų | 114.3 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.9 | -41.1 | 174.2 | -81.3 | -67.3 | 0 | 0 | 0 | 112.4 | E74 R75 E76 W82 | E74-Y78 WeakPolarHBondContact O-CD2 3.42Å; E74-Y78 PolarHBondContact O-N 3.05Å; R75-Y78 PolarHBondContact O-N 3.31Å; E76-Y78 PolarHBondContact O-N 3.29Å; Y78-W82 PolarHBondContact O-N 3.41Å |
| 79 | K | 95.8 | Very high | 95.1 | Very high | 146 Ų | 146 | 115.2 Ų | 115.2 | 64% | 0.635 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.3 | -48.6 | 176.5 | -173 | -179.8 | 179 | -175.8 | 0 | 110.4 | R75 E76 S77 K81 W82 I83 | R75-K79 WeakPolarHBondContact O-CB 3.35Å; R75-K79 PolarHBondContact O-N 2.95Å; E76-K79 WeakPolarHBondContact O-CB 3.06Å; E76-K79 PolarHBondContact O-N 3.45Å; S77-K79 VanDerWaalsContact C-N 3.34Å; S77-K79 PolarHBondContact O-N 2.9Å; K79-K81 PolarHBondContact O-N 2.96Å; K79-W82 WeakPolarHBondContact O-CB 3.47Å; K79-W82 PolarHBondContact O-N 3.41Å; K79-I83 HydrophobicContact CG-CD1 4.39Å; K79-I83 VanDerWaalsContact O-CG1 3.31Å; K79-I83 WeakPolarHBondContact O-CG1 3.36Å; K79-I83 PolarHBondContact O-N 3.34Å |
| 80 | I | 95.5 | Very high | 95.2 | Very high | 94 Ų | 94 | 115.1 Ų | 115.1 | 48% | 0.482 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.9 | -50.2 | 178.7 | -68.5 | 165.8 | 0 | 0 | 0 | 110.9 | E76 S77 W82 I83 E84 | E76-I80 WeakPolarHBondContact O-CG1 3.48Å; E76-I80 PolarHBondContact O-N 2.89Å; S77-I80 PolarHBondContact O-N 3.41Å; I80-W82 VanDerWaalsContact C-N 3.26Å; I80-W82 PolarHBondContact O-N 2.97Å; I80-I83 WeakPolarHBondContact O-CA 3.46Å; I80-I83 WeakPolarHBondContact O-CB 3.49Å; I80-I83 PolarHBondContact O-N 3.41Å; I80-E84 HydrophobicContact CG2-CG 4.41Å; I80-E84 WeakPolarHBondContact O-CG 3.35Å; I80-E84 PolarHBondContact O-N 3.41Å |
| 81 | K | 95.7 | Very high | 95.4 | Very high | 124 Ų | 124 | 113.7 Ų | 113.7 | 54% | 0.539 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.7 | -38.6 | 176.8 | -72.1 | 179 | -177.5 | 179.1 | 0 | 113 | S77 K79 E84 K85 | S77-K81 WeakPolarHBondContact O-CG 3.49Å; S77-K81 PolarHBondContact O-N 3.45Å; K79-K81 PolarHBondContact O-N 2.96Å; K81-E84 PolarHBondContact O-N 2.89Å; K81-K85 WeakPolarHBondContact O-CB 3.44Å; K81-K85 PolarHBondContact O-N 3Å |
| 82 | W | 95.1 | Very high | 95.6 | Very high | 191 Ų | 191 | 113.7 Ų | 113.7 | 72% | 0.723 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.2 | -39.5 | 174.8 | -101.1 | 100.7 | 0 | 0 | 0 | 112.8 | Y78 K79 I80 R86 | Y78-W82 PolarHBondContact O-N 3.41Å; K79-W82 WeakPolarHBondContact O-CB 3.47Å; K79-W82 PolarHBondContact O-N 3.41Å; I80-W82 VanDerWaalsContact C-N 3.26Å; I80-W82 PolarHBondContact O-N 2.97Å; W82-R86 WeakPolarHBondContact O-CB 3.48Å; W82-R86 PolarHBondContact O-N 3.35Å |
| 83 | I | 95.9 | Very high | 95.7 | Very high | 62 Ų | 62 | 113.1 Ų | 113.1 | 32% | 0.318 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 175.2 | -59.3 | -179.6 | 0 | 0 | 0 | 110.1 | K79 I80 R86 N87 | K79-I83 HydrophobicContact CG-CD1 4.39Å; K79-I83 VanDerWaalsContact O-CG1 3.31Å; K79-I83 WeakPolarHBondContact O-CG1 3.36Å; K79-I83 PolarHBondContact O-N 3.34Å; I80-I83 WeakPolarHBondContact O-CA 3.46Å; I80-I83 WeakPolarHBondContact O-CB 3.49Å; I80-I83 PolarHBondContact O-N 3.41Å; I83-R86 WeakPolarHBondContact O-CB 3.17Å; I83-R86 PolarHBondContact O-N 3.46Å; I83-N87 VanDerWaalsContact O-CG 3.23Å; I83-N87 PolarHBondContact O-N 3.26Å; I83-N87 PolarHBondContact O-OD1 2.96Å |
| 84 | E | 95.7 | Very high | 95.8 | Very high | 116 Ų | 116 | 114.2 Ų | 114.2 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.3 | -50.6 | 178.3 | -70.7 | 171.6 | 164.9 | 0 | 0 | 111.7 | I80 K81 R86 N87 E88 | I80-E84 HydrophobicContact CG2-CG 4.41Å; I80-E84 WeakPolarHBondContact O-CG 3.35Å; I80-E84 PolarHBondContact O-N 3.41Å; K81-E84 PolarHBondContact O-N 2.89Å; E84-R86 VanDerWaalsContact C-N 3.3Å; E84-R86 PolarHBondContact O-N 2.93Å; E84-N87 WeakPolarHBondContact O-CB 3.44Å; E84-N87 PolarHBondContact O-N 3.42Å; E84-N87 VanDerWaalsContact O-N 3.1Å; E84-E88 PolarHBondContact O-N 3.34Å |
| 85 | K | 95.9 | Very high | 96 | Very high | 102 Ų | 102 | 113.2 Ų | 113.2 | 44% | 0.443 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 178.3 | -171 | 170.4 | -174.3 | 178 | 0 | 112.7 | K81 E88 Y89 | K81-K85 WeakPolarHBondContact O-CB 3.44Å; K81-K85 PolarHBondContact O-N 3Å; K85-E88 PolarHBondContact O-N 2.92Å; K85-Y89 HydrophobicContact CD-CE2 4.07Å; K85-Y89 VanDerWaalsContact CE-CZ 3.48Å; K85-Y89 WeakPolarHBondContact CE-OH 3.47Å; K85-Y89 HydrophobicContact CG-CD2 4.08Å; K85-Y89 HydrophobicContact CG-CE2 3.6Å; K85-Y89 VanDerWaalsContact O-CD2 3.26Å; K85-Y89 WeakPolarHBondContact O-CD2 3.44Å; K85-Y89 PolarHBondContact O-N 2.9Å |
| 86 | R | 96 | Very high | 96.2 | Very high | 142 Ų | 142 | 109.1 Ų | 109.1 | 54% | 0.536 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 174 | -167.3 | -149.8 | -29.6 | -176.3 | 11.4 | 111.5 | W82 I83 E84 E88 Y89 E90 | W82-R86 WeakPolarHBondContact O-CB 3.48Å; W82-R86 PolarHBondContact O-N 3.35Å; I83-R86 WeakPolarHBondContact O-CB 3.17Å; I83-R86 PolarHBondContact O-N 3.46Å; E84-R86 VanDerWaalsContact C-N 3.3Å; E84-R86 PolarHBondContact O-N 2.93Å; R86-E88 VanDerWaalsContact C-N 3.33Å; R86-Y89 PolarHBondContact O-N 3.18Å; R86-E90 WeakPolarHBondContact O-CB 3.39Å; R86-E90 PolarHBondContact O-N 3.39Å |
| 87 | N | 96.6 | Very high | 96.3 | Very high | 86 Ų | 86 | 109.8 Ų | 109.8 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 179.1 | -67.6 | -13.9 | 0 | 0 | 0 | 111.3 | I83 E84 E90 S91 | I83-N87 VanDerWaalsContact O-CG 3.23Å; I83-N87 PolarHBondContact O-N 3.26Å; I83-N87 PolarHBondContact O-OD1 2.96Å; E84-N87 WeakPolarHBondContact O-CB 3.44Å; E84-N87 PolarHBondContact O-N 3.42Å; E84-N87 VanDerWaalsContact O-N 3.1Å; N87-E90 PolarHBondContact O-N 3.36Å; N87-S91 WeakPolarHBondContact O-CB 3.45Å; N87-S91 PolarHBondContact O-N 2.9Å |
| 88 | E | 96.2 | Very high | 96.4 | Very high | 131 Ų | 131 | 114.1 Ų | 114.1 | 61% | 0.612 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.8 | -52.1 | 173 | -175.3 | 179.7 | -169.2 | 0 | 0 | 111.2 | E84 K85 R86 E90 S91 E92 | E84-E88 PolarHBondContact O-N 3.34Å; K85-E88 PolarHBondContact O-N 2.92Å; R86-E88 VanDerWaalsContact C-N 3.33Å; E88-E90 VanDerWaalsContact C-N 3.32Å; E88-E90 PolarHBondContact O-N 3.4Å; E88-S91 WeakPolarHBondContact O-CB 3.32Å; E88-S91 PolarHBondContact O-N 2.84Å; E88-S91 VanDerWaalsContact O-N 3.14Å; E88-E92 PolarHBondContact O-N 3.18Å |
| 89 | Y | 96.8 | Very high | 96.6 | Very high | 113 Ų | 113 | 109.5 Ų | 109.5 | 44% | 0.443 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 176.1 | -69.5 | -39.9 | 0 | 0 | 0 | 113 | K85 R86 S91 E92 I93 | K85-Y89 HydrophobicContact CD-CE2 4.07Å; K85-Y89 VanDerWaalsContact CE-CZ 3.48Å; K85-Y89 WeakPolarHBondContact CE-OH 3.47Å; K85-Y89 HydrophobicContact CG-CD2 4.08Å; K85-Y89 HydrophobicContact CG-CE2 3.6Å; K85-Y89 VanDerWaalsContact O-CD2 3.26Å; K85-Y89 WeakPolarHBondContact O-CD2 3.44Å; K85-Y89 PolarHBondContact O-N 2.9Å; R86-Y89 PolarHBondContact O-N 3.18Å; Y89-S91 VanDerWaalsContact C-N 3.3Å; Y89-S91 PolarHBondContact O-N 2.96Å; Y89-E92 PolarHBondContact O-N 3.3Å; Y89-I93 WeakPolarHBondContact O-CB 3.49Å; Y89-I93 WeakPolarHBondContact O-CD1 3.45Å; Y89-I93 WeakPolarHBondContact O-CG1 3.39Å; Y89-I93 PolarHBondContact O-N 3.05Å |
| 90 | E | 96.9 | Very high | 96.7 | Very high | 90 Ų | 90 | 109.9 Ų | 109.9 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 176.3 | -165.5 | -173 | 146.5 | 0 | 0 | 111.6 | R86 N87 E88 K94 | R86-E90 WeakPolarHBondContact O-CB 3.39Å; R86-E90 PolarHBondContact O-N 3.39Å; N87-E90 PolarHBondContact O-N 3.36Å; E88-E90 VanDerWaalsContact C-N 3.32Å; E88-E90 PolarHBondContact O-N 3.4Å; E90-K94 WeakPolarHBondContact O-CG 3.41Å; E90-K94 PolarHBondContact O-N 3.49Å; E90-K94 VanDerWaalsContact O-N 3.08Å; E90-K94 VanDerWaalsContact OE1-CE 3.31Å; E90-K94 WeakPolarHBondContact OE1-CE 3.43Å; E90-K94 IonicContact OE1-NZ 2.73Å; E90-K94 PolarHBondContact OE1-NZ 3.49Å |
| 91 | S | 96.4 | Very high | 96.7 | Very high | 65 Ų | 65 | 110.2 Ų | 110.2 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 174 | -167.8 | 0 | 0 | 0 | 0 | 111.5 | N87 E88 Y89 I93 K94 E95 | N87-S91 WeakPolarHBondContact O-CB 3.45Å; N87-S91 PolarHBondContact O-N 2.9Å; E88-S91 WeakPolarHBondContact O-CB 3.32Å; E88-S91 PolarHBondContact O-N 2.84Å; E88-S91 VanDerWaalsContact O-N 3.14Å; Y89-S91 VanDerWaalsContact C-N 3.3Å; Y89-S91 PolarHBondContact O-N 2.96Å; S91-I93 VanDerWaalsContact C-N 3.34Å; S91-I93 PolarHBondContact O-N 3.37Å; S91-K94 WeakPolarHBondContact O-CB 3.46Å; S91-K94 PolarHBondContact O-N 2.88Å; S91-K94 VanDerWaalsContact O-N 3.07Å; S91-E95 PolarHBondContact O-N 3.43Å |
| 92 | E | 97.2 | Very high | 96.8 | Very high | 106 Ų | 106 | 110.9 Ų | 110.9 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 177.5 | -170.7 | -179.9 | -172.4 | 0 | 0 | 111.7 | E88 Y89 K94 E95 L96 | E88-E92 PolarHBondContact O-N 3.18Å; Y89-E92 PolarHBondContact O-N 3.3Å; E92-K94 VanDerWaalsContact C-N 3.3Å; E92-K94 PolarHBondContact O-N 2.88Å; E92-E95 PolarHBondContact O-N 3.39Å; E92-L96 HydrophobicContact CG-CD1 4.16Å; E92-L96 HydrophobicContact CG-CG 4.48Å; E92-L96 WeakPolarHBondContact O-CB 3.39Å; E92-L96 WeakPolarHBondContact O-CG 3.34Å; E92-L96 PolarHBondContact O-N 3.31Å |
| 93 | I | 97.4 | Very high | 96.9 | Very high | 90 Ų | 90 | 104.4 Ų | 104.4 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -39.1 | 174.8 | -72.1 | 167.2 | 0 | 0 | 0 | 111.2 | Y89 S91 K97 | Y89-I93 WeakPolarHBondContact O-CB 3.49Å; Y89-I93 WeakPolarHBondContact O-CD1 3.45Å; Y89-I93 WeakPolarHBondContact O-CG1 3.39Å; Y89-I93 PolarHBondContact O-N 3.05Å; S91-I93 VanDerWaalsContact C-N 3.34Å; S91-I93 PolarHBondContact O-N 3.37Å; I93-K97 HydrophobicContact CG2-CD 4.17Å; I93-K97 WeakPolarHBondContact O-CB 3.5Å; I93-K97 VanDerWaalsContact O-CG 3.27Å; I93-K97 WeakPolarHBondContact O-CG 3.48Å; I93-K97 PolarHBondContact O-N 2.94Å |
| 94 | K | 97.4 | Very high | 97 | Very high | 99 Ų | 99 | 104.8 Ų | 104.8 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 176.6 | -76.4 | 169.8 | -174.1 | 164.2 | 0 | 111.2 | E90 S91 E92 K97 R98 | E90-K94 WeakPolarHBondContact O-CG 3.41Å; E90-K94 PolarHBondContact O-N 3.49Å; E90-K94 VanDerWaalsContact O-N 3.08Å; E90-K94 VanDerWaalsContact OE1-CE 3.31Å; E90-K94 WeakPolarHBondContact OE1-CE 3.43Å; E90-K94 IonicContact OE1-NZ 2.73Å; E90-K94 PolarHBondContact OE1-NZ 3.49Å; S91-K94 WeakPolarHBondContact O-CB 3.46Å; S91-K94 PolarHBondContact O-N 2.88Å; S91-K94 VanDerWaalsContact O-N 3.07Å; E92-K94 VanDerWaalsContact C-N 3.3Å; E92-K94 PolarHBondContact O-N 2.88Å; K94-K97 PolarHBondContact O-N 3.35Å; K94-R98 WeakPolarHBondContact O-CG 3.49Å; K94-R98 PolarHBondContact O-N 3.13Å; K94-R98 VanDerWaalsContact O-N 3.14Å |
| 95 | E | 97 | Very high | 97.1 | Very high | 97 Ų | 97 | 107.2 Ų | 107.2 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 176.3 | -66.5 | -49 | 136.5 | 0 | 0 | 112.4 | S91 E92 K97 R98 A99 | S91-E95 PolarHBondContact O-N 3.43Å; E92-E95 PolarHBondContact O-N 3.39Å; E95-K97 VanDerWaalsContact C-N 3.31Å; E95-K97 PolarHBondContact O-N 3.08Å; E95-R98 PolarHBondContact O-N 2.91Å; E95-R98 VanDerWaalsContact O-N 3.15Å; E95-R98 IonicContact OE1-CZ 2.88Å; E95-R98 IonicContact OE1-NH1 3.51Å; E95-R98 PolarHBondContact OE1-NH1 3.31Å; E95-R98 IonicContact OE2-NH1 2.63Å; E95-A99 WeakPolarHBondContact O-CB 3.12Å; E95-A99 PolarHBondContact O-N 3.18Å |
| 96 | L | 97.9 | Very high | 97.1 | Very high | 103 Ų | 103 | 106.9 Ų | 106.9 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -38.7 | 176.2 | -73.9 | 173.6 | 0 | 0 | 0 | 112.1 | E92 A99 K100 | E92-L96 HydrophobicContact CG-CD1 4.16Å; E92-L96 HydrophobicContact CG-CG 4.48Å; E92-L96 WeakPolarHBondContact O-CB 3.39Å; E92-L96 WeakPolarHBondContact O-CG 3.34Å; E92-L96 PolarHBondContact O-N 3.31Å; L96-A99 PolarHBondContact O-N 3.05Å; L96-K100 VanDerWaalsContact O-CB 3.29Å; L96-K100 WeakPolarHBondContact O-CB 3.42Å; L96-K100 PolarHBondContact O-N 3.39Å |
| 97 | K | 97.8 | Very high | 97.2 | Very high | 141 Ų | 141 | 102.8 Ų | 102.8 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -44.7 | 173.8 | -78.7 | 175.8 | 179.9 | -179.9 | 0 | 111.7 | I93 K94 E95 K100 E101 | I93-K97 HydrophobicContact CG2-CD 4.17Å; I93-K97 WeakPolarHBondContact O-CB 3.5Å; I93-K97 VanDerWaalsContact O-CG 3.27Å; I93-K97 WeakPolarHBondContact O-CG 3.48Å; I93-K97 PolarHBondContact O-N 2.94Å; K94-K97 PolarHBondContact O-N 3.35Å; E95-K97 VanDerWaalsContact C-N 3.31Å; E95-K97 PolarHBondContact O-N 3.08Å; K97-K100 PolarHBondContact O-N 3.28Å; K97-E101 WeakPolarHBondContact O-CB 3.36Å; K97-E101 PolarHBondContact O-N 3.3Å |
| 98 | R | 96.9 | Very high | 97.3 | Very high | 145 Ų | 145 | 102.5 Ų | 102.5 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 176.4 | -69 | 173.7 | -172.3 | 159.7 | 4.4 | 111.9 | K94 E95 E101 K102 | K94-R98 WeakPolarHBondContact O-CG 3.49Å; K94-R98 PolarHBondContact O-N 3.13Å; K94-R98 VanDerWaalsContact O-N 3.14Å; E95-R98 PolarHBondContact O-N 2.91Å; E95-R98 VanDerWaalsContact O-N 3.15Å; E95-R98 IonicContact OE1-CZ 2.88Å; E95-R98 IonicContact OE1-NH1 3.51Å; E95-R98 PolarHBondContact OE1-NH1 3.31Å; E95-R98 IonicContact OE2-NH1 2.63Å; R98-E101 PolarHBondContact O-N 3.42Å; R98-K102 WeakPolarHBondContact O-CB 3.38Å; R98-K102 PolarHBondContact O-N 2.95Å |
| 99 | A | 97.5 | Very high | 97.4 | Very high | 57 Ų | 57 | 102.1 Ų | 102.1 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E95 L96 K102 A103 | E95-A99 WeakPolarHBondContact O-CB 3.12Å; E95-A99 PolarHBondContact O-N 3.18Å; L96-A99 PolarHBondContact O-N 3.05Å; A99-K102 PolarHBondContact O-N 3.28Å; A99-A103 WeakPolarHBondContact O-CB 3.47Å; A99-A103 PolarHBondContact O-N 2.92Å |
| 100 | K | 98.1 | Very high | 97.4 | Very high | 153 Ų | 153 | 103.2 Ų | 103.2 | 67% | 0.665 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.5 | -48.5 | 174 | -178.2 | -178.1 | 178.5 | -180 | 0 | 111.2 | L96 K97 K102 A103 T104 | L96-K100 VanDerWaalsContact O-CB 3.29Å; L96-K100 WeakPolarHBondContact O-CB 3.42Å; L96-K100 PolarHBondContact O-N 3.39Å; K97-K100 PolarHBondContact O-N 3.28Å; K100-K102 VanDerWaalsContact C-N 3.33Å; K100-K102 PolarHBondContact O-N 3.31Å; K100-A103 PolarHBondContact O-N 2.87Å; K100-T104 PolarHBondContact O-N 3.46Å; K100-T104 PolarHBondContact O-OG1 3.24Å; K100-T104 VanDerWaalsContact O-OG1 3.08Å |
| 101 | E | 97.1 | Very high | 97.4 | Very high | 102 Ų | 102 | 104.3 Ų | 104.3 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 179.3 | -170.4 | 178.8 | 170 | 0 | 0 | 111.9 | K97 R98 T104 R105 | K97-E101 WeakPolarHBondContact O-CB 3.36Å; K97-E101 PolarHBondContact O-N 3.3Å; R98-E101 PolarHBondContact O-N 3.42Å; E101-T104 PolarHBondContact O-N 3.43Å; E101-R105 WeakPolarHBondContact O-CG 3.48Å; E101-R105 PolarHBondContact O-N 2.86Å; E101-R105 IonicContact OE1-CZ 3.73Å; E101-R105 IonicContact OE1-NE 3.49Å; E101-R105 IonicContact OE1-NH2 3.64Å; E101-R105 PolarHBondContact OE1-NH2 2.94Å |
| 102 | K | 97.4 | Very high | 97.5 | Very high | 138 Ų | 138 | 107.1 Ų | 107.1 | 60% | 0.6 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.8 | -45 | 174.7 | -174.9 | 179.4 | 179.2 | -178.3 | 0 | 111.9 | R98 A99 K100 R105 Q106 | R98-K102 WeakPolarHBondContact O-CB 3.38Å; R98-K102 PolarHBondContact O-N 2.95Å; A99-K102 PolarHBondContact O-N 3.28Å; K100-K102 VanDerWaalsContact C-N 3.33Å; K100-K102 PolarHBondContact O-N 3.31Å; K102-R105 PolarHBondContact O-N 3.43Å; K102-Q106 WeakPolarHBondContact O-CG 3.45Å; K102-Q106 PolarHBondContact O-N 3.4Å |
| 103 | A | 97.3 | Very high | 97.5 | Very high | 54 Ų | 54 | 106 Ų | 106 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A99 K100 R105 Q106 S107 | A99-A103 WeakPolarHBondContact O-CB 3.47Å; A99-A103 PolarHBondContact O-N 2.92Å; K100-A103 PolarHBondContact O-N 2.87Å; A103-R105 PolarHBondContact O-N 3.37Å; A103-Q106 PolarHBondContact O-N 3.05Å; A103-S107 PolarHBondContact O-N 2.92Å |
| 104 | T | 97.5 | Very high | 97.6 | Very high | 70 Ų | 70 | 105.9 Ų | 105.9 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 175.4 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | K100 E101 Q106 S107 I108 | K100-T104 PolarHBondContact O-N 3.46Å; K100-T104 PolarHBondContact O-OG1 3.24Å; K100-T104 VanDerWaalsContact O-OG1 3.08Å; E101-T104 PolarHBondContact O-N 3.43Å; T104-Q106 VanDerWaalsContact C-N 3.31Å; T104-Q106 PolarHBondContact O-N 2.98Å; T104-S107 WeakPolarHBondContact O-CB 3.47Å; T104-S107 PolarHBondContact O-N 3.37Å; T104-I108 HydrophobicContact CG2-CD1 4.12Å; T104-I108 WeakPolarHBondContact O-CG1 3.36Å; T104-I108 PolarHBondContact O-N 3.26Å |
| 105 | R | 97 | Very high | 97.6 | Very high | 168 Ų | 168 | 105.3 Ų | 105.3 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.5 | -38.6 | 176.3 | -69.3 | 178.8 | -170.7 | -153 | 5.2 | 112.4 | E101 K102 A103 K109 | E101-R105 WeakPolarHBondContact O-CG 3.48Å; E101-R105 PolarHBondContact O-N 2.86Å; E101-R105 IonicContact OE1-CZ 3.73Å; E101-R105 IonicContact OE1-NE 3.49Å; E101-R105 IonicContact OE1-NH2 3.64Å; E101-R105 PolarHBondContact OE1-NH2 2.94Å; K102-R105 PolarHBondContact O-N 3.43Å; A103-R105 PolarHBondContact O-N 3.37Å; R105-K109 PolarHBondContact O-N 2.9Å; R105-K109 VanDerWaalsContact O-N 3.17Å |
| 106 | Q | 97.7 | Very high | 97.6 | Very high | 94 Ų | 94 | 105.2 Ų | 105.2 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 174.7 | -73.8 | -179.9 | -15.8 | 0 | 0 | 112.1 | K102 A103 T104 I108 K109 Y110 | K102-Q106 WeakPolarHBondContact O-CG 3.45Å; K102-Q106 PolarHBondContact O-N 3.4Å; A103-Q106 PolarHBondContact O-N 3.05Å; T104-Q106 VanDerWaalsContact C-N 3.31Å; T104-Q106 PolarHBondContact O-N 2.98Å; Q106-I108 PolarHBondContact O-N 3.49Å; Q106-K109 PolarHBondContact O-N 3.3Å; Q106-Y110 HydrophobicContact CB-CE2 4.32Å; Q106-Y110 WeakPolarHBondContact O-CD2 3.32Å; Q106-Y110 PolarHBondContact O-N 3.47Å |
| 107 | S | 97.7 | Very high | 97.6 | Very high | 56 Ų | 56 | 105.7 Ų | 105.7 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.3 | -48.7 | 176 | -163.4 | 0 | 0 | 0 | 0 | 111.4 | A103 T104 K109 Y110 E111 | A103-S107 PolarHBondContact O-N 2.92Å; T104-S107 WeakPolarHBondContact O-CB 3.47Å; T104-S107 PolarHBondContact O-N 3.37Å; S107-K109 VanDerWaalsContact C-N 3.33Å; S107-K109 PolarHBondContact O-N 3.39Å; S107-Y110 PolarHBondContact O-N 3.05Å; S107-Y110 VanDerWaalsContact O-N 3.14Å; S107-E111 WeakPolarHBondContact O-CG 3.36Å; S107-E111 PolarHBondContact O-N 3.37Å; S107-E111 PolarHBondContact OG-OE1 3.02Å |
| 108 | I | 97.6 | Very high | 97.7 | Very high | 80 Ų | 80 | 105.7 Ų | 105.7 | 41% | 0.41 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.1 | -46.3 | 178.1 | -66.9 | 165.5 | 0 | 0 | 0 | 110.6 | T104 Q106 Y110 E111 E112 | T104-I108 HydrophobicContact CG2-CD1 4.12Å; T104-I108 WeakPolarHBondContact O-CG1 3.36Å; T104-I108 PolarHBondContact O-N 3.26Å; Q106-I108 PolarHBondContact O-N 3.49Å; I108-Y110 VanDerWaalsContact C-N 3.31Å; I108-Y110 PolarHBondContact O-N 2.97Å; I108-E111 PolarHBondContact O-N 3.29Å; I108-E112 WeakPolarHBondContact O-CG 3.46Å; I108-E112 PolarHBondContact O-N 3.44Å |
| 109 | K | 97.8 | Very high | 97.7 | Very high | 123 Ų | 123 | 102.8 Ų | 102.8 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 177.8 | -174.8 | -178.8 | 179.6 | -178.4 | 0 | 112.4 | R105 Q106 S107 Q113 | R105-K109 PolarHBondContact O-N 2.9Å; R105-K109 VanDerWaalsContact O-N 3.17Å; Q106-K109 PolarHBondContact O-N 3.3Å; S107-K109 VanDerWaalsContact C-N 3.33Å; S107-K109 PolarHBondContact O-N 3.39Å; K109-Q113 WeakPolarHBondContact O-CG 3.35Å; K109-Q113 PolarHBondContact O-N 3.06Å; K109-Q113 VanDerWaalsContact O-N 3.09Å |
| 110 | Y | 97.7 | Very high | 97.7 | Very high | 136 Ų | 136 | 105.4 Ų | 105.4 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.5 | -37.7 | 177.4 | -67.8 | -46.7 | 0 | 0 | 0 | 112.2 | Q106 S107 I108 E112 Q113 I114 | Q106-Y110 HydrophobicContact CB-CE2 4.32Å; Q106-Y110 WeakPolarHBondContact O-CD2 3.32Å; Q106-Y110 PolarHBondContact O-N 3.47Å; S107-Y110 PolarHBondContact O-N 3.05Å; S107-Y110 VanDerWaalsContact O-N 3.14Å; I108-Y110 VanDerWaalsContact C-N 3.31Å; I108-Y110 PolarHBondContact O-N 2.97Å; Y110-E112 VanDerWaalsContact C-N 3.35Å; Y110-Q113 PolarHBondContact O-N 3.45Å; Y110-I114 WeakPolarHBondContact O-CB 3.39Å; Y110-I114 VanDerWaalsContact O-CG1 3.23Å; Y110-I114 WeakPolarHBondContact O-CG1 3.44Å; Y110-I114 PolarHBondContact O-N 2.89Å |
| 111 | E | 97.7 | Very high | 97.7 | Very high | 113 Ų | 113 | 103 Ų | 103 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 174.7 | -73.5 | 169.8 | -162.5 | 0 | 0 | 112.1 | S107 I108 I114 T115 | S107-E111 WeakPolarHBondContact O-CG 3.36Å; S107-E111 PolarHBondContact O-N 3.37Å; S107-E111 PolarHBondContact OG-OE1 3.02Å; I108-E111 PolarHBondContact O-N 3.29Å; E111-I114 PolarHBondContact O-N 2.95Å; E111-T115 WeakPolarHBondContact O-CB 3.48Å; E111-T115 PolarHBondContact O-N 3.42Å; E111-T115 PolarHBondContact O-OG1 3.26Å |
| 112 | E | 97.1 | Very high | 97.8 | Very high | 125 Ų | 125 | 101.5 Ų | 101.5 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.2 | -47.8 | 173.3 | -72.1 | 172 | 173 | 0 | 0 | 111.5 | I108 Y110 I114 T115 E116 | I108-E112 WeakPolarHBondContact O-CG 3.46Å; I108-E112 PolarHBondContact O-N 3.44Å; Y110-E112 VanDerWaalsContact C-N 3.35Å; E112-I114 PolarHBondContact O-N 2.92Å; E112-T115 WeakPolarHBondContact O-CB 3.44Å; E112-T115 PolarHBondContact O-N 3.21Å; E112-E116 PolarHBondContact O-N 3.41Å |
| 113 | Q | 98.3 | Very high | 97.8 | Very high | 82 Ų | 82 | 97.4 Ų | 97.4 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 177.2 | -73.9 | 179.4 | -10.1 | 0 | 0 | 112.6 | K109 Y110 T115 E116 L117 | K109-Q113 WeakPolarHBondContact O-CG 3.35Å; K109-Q113 PolarHBondContact O-N 3.06Å; K109-Q113 VanDerWaalsContact O-N 3.09Å; Y110-Q113 PolarHBondContact O-N 3.45Å; Q113-T115 VanDerWaalsContact C-N 3.3Å; Q113-T115 PolarHBondContact O-N 3.32Å; Q113-E116 PolarHBondContact O-N 3.49Å; Q113-L117 WeakPolarHBondContact O-CB 3.46Å; Q113-L117 WeakPolarHBondContact O-CG 3.44Å; Q113-L117 PolarHBondContact O-N 2.84Å |
| 114 | I | 98.2 | Very high | 97.8 | Very high | 88 Ų | 88 | 100.5 Ų | 100.5 | 45% | 0.451 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 176.1 | -72.3 | 165.6 | 0 | 0 | 0 | 110.1 | Y110 E111 E112 L117 K118 | Y110-I114 WeakPolarHBondContact O-CB 3.39Å; Y110-I114 VanDerWaalsContact O-CG1 3.23Å; Y110-I114 WeakPolarHBondContact O-CG1 3.44Å; Y110-I114 PolarHBondContact O-N 2.89Å; E111-I114 PolarHBondContact O-N 2.95Å; E112-I114 PolarHBondContact O-N 2.92Å; I114-L117 PolarHBondContact O-N 3.25Å; I114-K118 HydrophobicContact CG2-CD 4.16Å; I114-K118 WeakPolarHBondContact O-CB 3.49Å; I114-K118 VanDerWaalsContact O-CG 3.31Å; I114-K118 WeakPolarHBondContact O-CG 3.39Å; I114-K118 PolarHBondContact O-N 3.02Å |
| 115 | T | 97.5 | Very high | 97.9 | Very high | 86 Ų | 86 | 102.6 Ų | 102.6 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 178.5 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | E111 E112 Q113 L117 K118 T119 | E111-T115 WeakPolarHBondContact O-CB 3.48Å; E111-T115 PolarHBondContact O-N 3.42Å; E111-T115 PolarHBondContact O-OG1 3.26Å; E112-T115 WeakPolarHBondContact O-CB 3.44Å; E112-T115 PolarHBondContact O-N 3.21Å; Q113-T115 VanDerWaalsContact C-N 3.3Å; Q113-T115 PolarHBondContact O-N 3.32Å; T115-L117 PolarHBondContact O-N 3.27Å; T115-K118 PolarHBondContact O-N 3.46Å; T115-T119 WeakPolarHBondContact O-CG2 3.37Å; T115-T119 PolarHBondContact O-N 3.39Å |
| 116 | E | 98 | Very high | 97.9 | Very high | 96 Ų | 96 | 100.5 Ų | 100.5 | 45% | 0.449 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 175.3 | -169.2 | -172 | 167.1 | 0 | 0 | 111.6 | E112 Q113 K118 T119 K120 | E112-E116 PolarHBondContact O-N 3.41Å; Q113-E116 PolarHBondContact O-N 3.49Å; E116-K118 VanDerWaalsContact C-N 3.34Å; E116-K118 PolarHBondContact O-N 2.77Å; E116-T119 PolarHBondContact O-N 2.99Å; E116-T119 PolarHBondContact O-OG1 3.3Å; E116-K120 PolarHBondContact O-N 3.09Å; E116-K120 WeakPolarHBondContact OE1-CE 3.32Å; E116-K120 IonicContact OE1-NZ 2.84Å; E116-K120 PolarHBondContact OE1-NZ 3.44Å |
| 117 | L | 98.4 | Very high | 97.9 | Very high | 113 Ų | 113 | 99.9 Ų | 99.9 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -39.4 | 177.9 | -73.3 | 173.4 | 0 | 0 | 0 | 112.5 | Q113 I114 T115 T119 K120 L121 | Q113-L117 WeakPolarHBondContact O-CB 3.46Å; Q113-L117 WeakPolarHBondContact O-CG 3.44Å; Q113-L117 PolarHBondContact O-N 2.84Å; I114-L117 PolarHBondContact O-N 3.25Å; T115-L117 PolarHBondContact O-N 3.27Å; L117-T119 PolarHBondContact O-N 2.9Å; L117-K120 PolarHBondContact O-N 3.36Å; L117-L121 VanDerWaalsContact O-CB 3.31Å; L117-L121 WeakPolarHBondContact O-CB 3.26Å; L117-L121 PolarHBondContact O-N 3Å |
| 118 | K | 98.2 | Very high | 98 | Very high | 141 Ų | 141 | 102 Ų | 102 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61 | -43.4 | 174.4 | -77.6 | 176.3 | 179.2 | 179.9 | 0 | 111.7 | I114 T115 E116 L121 S122 | I114-K118 HydrophobicContact CG2-CD 4.16Å; I114-K118 WeakPolarHBondContact O-CB 3.49Å; I114-K118 VanDerWaalsContact O-CG 3.31Å; I114-K118 WeakPolarHBondContact O-CG 3.39Å; I114-K118 PolarHBondContact O-N 3.02Å; T115-K118 PolarHBondContact O-N 3.46Å; E116-K118 VanDerWaalsContact C-N 3.34Å; E116-K118 PolarHBondContact O-N 2.77Å; K118-L121 PolarHBondContact O-N 3.47Å; K118-S122 WeakPolarHBondContact O-CB 3.48Å; K118-S122 PolarHBondContact O-N 3.24Å |
| 119 | T | 97.7 | Very high | 98 | Very high | 84 Ų | 84 | 103.6 Ų | 103.6 | 52% | 0.515 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 177.4 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | T115 E116 L117 L121 S122 S123 | T115-T119 WeakPolarHBondContact O-CG2 3.37Å; T115-T119 PolarHBondContact O-N 3.39Å; E116-T119 PolarHBondContact O-N 2.99Å; E116-T119 PolarHBondContact O-OG1 3.3Å; L117-T119 PolarHBondContact O-N 2.9Å; T119-L121 PolarHBondContact O-N 2.84Å; T119-S122 PolarHBondContact O-N 3.3Å; T119-S123 PolarHBondContact O-N 2.99Å |
| 120 | K | 98 | Very high | 98 | Very high | 112 Ų | 112 | 101.4 Ų | 101.4 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 174.8 | -72.7 | 179.2 | -176.5 | 169.7 | 0 | 111.8 | E116 L117 S123 K124 | E116-K120 PolarHBondContact O-N 3.09Å; E116-K120 WeakPolarHBondContact OE1-CE 3.32Å; E116-K120 IonicContact OE1-NZ 2.84Å; E116-K120 PolarHBondContact OE1-NZ 3.44Å; L117-K120 PolarHBondContact O-N 3.36Å; K120-S123 PolarHBondContact O-N 2.96Å; K120-K124 WeakPolarHBondContact O-CB 3.47Å; K120-K124 WeakPolarHBondContact O-CG 3.34Å; K120-K124 PolarHBondContact O-N 3.48Å |
| 121 | L | 98.2 | Very high | 98.1 | Very high | 102 Ų | 102 | 100 Ų | 100 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 176.9 | -178.7 | 63.8 | 0 | 0 | 0 | 111 | L117 K118 T119 S123 K124 Q125 | L117-L121 VanDerWaalsContact O-CB 3.31Å; L117-L121 WeakPolarHBondContact O-CB 3.26Å; L117-L121 PolarHBondContact O-N 3Å; K118-L121 PolarHBondContact O-N 3.47Å; T119-L121 PolarHBondContact O-N 2.84Å; L121-S123 PolarHBondContact O-N 2.98Å; L121-K124 PolarHBondContact O-N 3.15Å; L121-Q125 WeakPolarHBondContact O-CG 3.36Å; L121-Q125 PolarHBondContact O-N 2.97Å |
| 122 | S | 97.7 | Very high | 98.1 | Very high | 70 Ų | 70 | 99.5 Ų | 99.5 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.3 | -47.4 | 176.8 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | K118 T119 K124 Q125 E126 | K118-S122 WeakPolarHBondContact O-CB 3.48Å; K118-S122 PolarHBondContact O-N 3.24Å; T119-S122 PolarHBondContact O-N 3.3Å; S122-K124 VanDerWaalsContact C-N 3.31Å; S122-K124 PolarHBondContact O-N 3.44Å; S122-Q125 WeakPolarHBondContact O-CB 3.34Å; S122-Q125 PolarHBondContact O-N 3.44Å; S122-E126 PolarHBondContact O-N 2.9Å |
| 123 | S | 98.1 | Very high | 98.1 | Very high | 52 Ų | 52 | 96.8 Ų | 96.8 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 112.8 | T119 K120 L121 E126 Q127 | T119-S123 PolarHBondContact O-N 2.99Å; K120-S123 PolarHBondContact O-N 2.96Å; L121-S123 PolarHBondContact O-N 2.98Å; S123-E126 PolarHBondContact O-N 3.44Å; S123-Q127 VanDerWaalsContact O-CG 3.32Å; S123-Q127 WeakPolarHBondContact O-CG 3.43Å; S123-Q127 PolarHBondContact O-N 3.15Å; S123-Q127 PolarHBondContact O-NE2 3.09Å; S123-Q127 PolarHBondContact OG-NE2 2.85Å |
| 124 | K | 98.2 | Very high | 98.1 | Very high | 119 Ų | 119 | 98.6 Ų | 98.6 | 52% | 0.517 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.8 | -37.2 | 175.6 | -72.5 | -68.4 | 173.7 | -164 | 0 | 112.5 | K120 L121 S122 E126 Q127 I128 | K120-K124 WeakPolarHBondContact O-CB 3.47Å; K120-K124 WeakPolarHBondContact O-CG 3.34Å; K120-K124 PolarHBondContact O-N 3.48Å; L121-K124 PolarHBondContact O-N 3.15Å; S122-K124 VanDerWaalsContact C-N 3.31Å; S122-K124 PolarHBondContact O-N 3.44Å; K124-E126 VanDerWaalsContact C-N 3.34Å; K124-Q127 PolarHBondContact O-N 3.25Å; K124-I128 VanDerWaalsContact O-CG1 3.26Å; K124-I128 WeakPolarHBondContact O-CG1 3.31Å; K124-I128 PolarHBondContact O-N 3.37Å |
| 125 | Q | 98.4 | Very high | 98.1 | Very high | 115 Ų | 115 | 99.8 Ų | 99.8 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 173.6 | -74 | 172 | -27.9 | 0 | 0 | 111.4 | L121 S122 I128 H129 | L121-Q125 WeakPolarHBondContact O-CG 3.36Å; L121-Q125 PolarHBondContact O-N 2.97Å; S122-Q125 WeakPolarHBondContact O-CB 3.34Å; S122-Q125 PolarHBondContact O-N 3.44Å; Q125-I128 PolarHBondContact O-N 3.43Å; Q125-H129 PolarHBondContact O-N 3.25Å |
| 126 | E | 97.5 | Very high | 98.1 | Very high | 123 Ų | 123 | 100.4 Ų | 100.4 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.8 | -44.4 | 175 | -172.7 | 177.1 | -168.9 | 0 | 0 | 112.1 | S122 S123 K124 I128 H129 N130 | S122-E126 PolarHBondContact O-N 2.9Å; S123-E126 PolarHBondContact O-N 3.44Å; K124-E126 VanDerWaalsContact C-N 3.34Å; E126-I128 VanDerWaalsContact C-N 3.33Å; E126-I128 PolarHBondContact O-N 3.41Å; E126-H129 WeakPolarHBondContact O-CB 3.15Å; E126-H129 PolarHBondContact O-N 2.97Å; E126-N130 PolarHBondContact O-N 2.9Å |
| 127 | Q | 98.4 | Very high | 98.1 | Very high | 82 Ų | 82 | 100.2 Ų | 100.2 | 38% | 0.383 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.1 | -44.3 | 174 | -75.3 | 167.1 | 40.7 | 0 | 0 | 112 | S123 K124 H129 N130 L131 | S123-Q127 VanDerWaalsContact O-CG 3.32Å; S123-Q127 WeakPolarHBondContact O-CG 3.43Å; S123-Q127 PolarHBondContact O-N 3.15Å; S123-Q127 PolarHBondContact O-NE2 3.09Å; S123-Q127 PolarHBondContact OG-NE2 2.85Å; K124-Q127 PolarHBondContact O-N 3.25Å; Q127-H129 VanDerWaalsContact C-N 3.34Å; Q127-N130 PolarHBondContact O-N 3.08Å; Q127-L131 WeakPolarHBondContact O-CG 3.5Å; Q127-L131 PolarHBondContact O-N 3.42Å |
| 128 | I | 98.3 | Very high | 98.1 | Very high | 100 Ų | 100 | 97.7 Ų | 97.7 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 177 | -70.7 | 165.1 | 0 | 0 | 0 | 110.6 | K124 Q125 E126 N130 L131 L132 | K124-I128 VanDerWaalsContact O-CG1 3.26Å; K124-I128 WeakPolarHBondContact O-CG1 3.31Å; K124-I128 PolarHBondContact O-N 3.37Å; Q125-I128 PolarHBondContact O-N 3.43Å; E126-I128 VanDerWaalsContact C-N 3.33Å; E126-I128 PolarHBondContact O-N 3.41Å; I128-N130 PolarHBondContact O-N 2.97Å; I128-L131 PolarHBondContact O-N 3.3Å; I128-L132 HydrophobicContact CG2-CD1 4.13Å; I128-L132 HydrophobicContact CG2-CG 4.49Å; I128-L132 WeakPolarHBondContact O-CG 3.46Å; I128-L132 PolarHBondContact O-N 3.16Å |
| 129 | H | 98.3 | Very high | 98.1 | Very high | 114 Ų | 114 | 94.4 Ų | 94.4 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 178.1 | -174.5 | 61.7 | 0 | 0 | 0 | 111.9 | Q125 E126 Q127 L131 L132 I133 | Q125-H129 PolarHBondContact O-N 3.25Å; E126-H129 WeakPolarHBondContact O-CB 3.15Å; E126-H129 PolarHBondContact O-N 2.97Å; Q127-H129 VanDerWaalsContact C-N 3.34Å; H129-L131 PolarHBondContact O-N 3.45Å; H129-L132 PolarHBondContact O-N 3.09Å; H129-I133 WeakPolarHBondContact O-CG1 3.35Å; H129-I133 PolarHBondContact O-N 3.43Å; H129-I133 VanDerWaalsContact O-N 3.09Å |
| 130 | N | 98.4 | Very high | 98.1 | Very high | 77 Ų | 77 | 95.7 Ų | 95.7 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 177.1 | -68.4 | -19.9 | 0 | 0 | 0 | 112 | E126 Q127 I128 L132 I133 E134 | E126-N130 PolarHBondContact O-N 2.9Å; Q127-N130 PolarHBondContact O-N 3.08Å; I128-N130 PolarHBondContact O-N 2.97Å; N130-L132 VanDerWaalsContact C-N 3.31Å; N130-L132 PolarHBondContact O-N 3.01Å; N130-I133 WeakPolarHBondContact O-CB 3.31Å; N130-I133 PolarHBondContact O-N 2.92Å; N130-I133 VanDerWaalsContact O-N 3.16Å; N130-E134 PolarHBondContact O-N 2.98Å |
| 131 | L | 98.4 | Very high | 98 | Very high | 107 Ų | 107 | 98.6 Ų | 98.6 | 56% | 0.56 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.2 | -35.6 | 176.1 | -72.9 | 171.8 | 0 | 0 | 0 | 112.7 | Q127 I128 H129 I133 E134 L135 | Q127-L131 WeakPolarHBondContact O-CG 3.5Å; Q127-L131 PolarHBondContact O-N 3.42Å; I128-L131 PolarHBondContact O-N 3.3Å; H129-L131 PolarHBondContact O-N 3.45Å; L131-I133 VanDerWaalsContact C-N 3.35Å; L131-E134 PolarHBondContact O-N 3.48Å; L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 PolarHBondContact O-N 3.32Å |
| 132 | L | 98.5 | Very high | 98 | Very high | 101 Ų | 101 | 98.5 Ų | 98.5 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 174.2 | -73 | 171.3 | 0 | 0 | 0 | 111.8 | I128 H129 N130 L135 E136 | I128-L132 HydrophobicContact CG2-CD1 4.13Å; I128-L132 HydrophobicContact CG2-CG 4.49Å; I128-L132 WeakPolarHBondContact O-CG 3.46Å; I128-L132 PolarHBondContact O-N 3.16Å; H129-L132 PolarHBondContact O-N 3.09Å; N130-L132 VanDerWaalsContact C-N 3.31Å; N130-L132 PolarHBondContact O-N 3.01Å; L132-L135 PolarHBondContact O-N 3.03Å; L132-E136 WeakPolarHBondContact O-CB 3.46Å; L132-E136 PolarHBondContact O-N 3.48Å |
| 133 | I | 98.1 | Very high | 98 | Very high | 69 Ų | 69 | 98.9 Ų | 98.9 | 35% | 0.354 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 174.2 | -65.1 | 168.2 | 0 | 0 | 0 | 110.5 | H129 N130 L131 L135 E136 Q137 | H129-I133 WeakPolarHBondContact O-CG1 3.35Å; H129-I133 PolarHBondContact O-N 3.43Å; H129-I133 VanDerWaalsContact O-N 3.09Å; N130-I133 WeakPolarHBondContact O-CB 3.31Å; N130-I133 PolarHBondContact O-N 2.92Å; N130-I133 VanDerWaalsContact O-N 3.16Å; L131-I133 VanDerWaalsContact C-N 3.35Å; I133-L135 VanDerWaalsContact C-N 3.32Å; I133-L135 PolarHBondContact O-N 3.4Å; I133-E136 PolarHBondContact O-N 3.24Å; I133-Q137 WeakPolarHBondContact O-CG 3.34Å; I133-Q137 PolarHBondContact O-N 2.98Å |
| 134 | E | 97.9 | Very high | 97.9 | Very high | 119 Ų | 119 | 98.8 Ų | 98.8 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.4 | -40.7 | 177.2 | -72.3 | 179.2 | -174.8 | 0 | 0 | 112.1 | N130 L131 Q137 S138 | N130-E134 PolarHBondContact O-N 2.98Å; L131-E134 PolarHBondContact O-N 3.48Å; E134-Q137 PolarHBondContact O-N 3.39Å; E134-S138 WeakPolarHBondContact O-CB 3.47Å; E134-S138 PolarHBondContact O-N 3.2Å |
| 135 | L | 98.1 | Very high | 97.8 | Very high | 113 Ų | 113 | 97.9 Ų | 97.9 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.2 | -45.5 | 176.3 | -178.7 | 63.7 | 0 | 0 | 0 | 111.5 | L131 L132 I133 S138 N139 | L131-L135 WeakPolarHBondContact O-CB 3.42Å; L131-L135 PolarHBondContact O-N 3.32Å; L132-L135 PolarHBondContact O-N 3.03Å; I133-L135 VanDerWaalsContact C-N 3.32Å; I133-L135 PolarHBondContact O-N 3.4Å; L135-S138 WeakPolarHBondContact O-CB 3.49Å; L135-S138 PolarHBondContact O-N 3.41Å; L135-N139 WeakPolarHBondContact O-CB 3.43Å; L135-N139 PolarHBondContact O-N 2.94Å |
| 136 | E | 97.7 | Very high | 97.8 | Very high | 99 Ų | 99 | 97.8 Ų | 97.8 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.6 | -179 | 54.8 | -147.1 | 0 | 0 | 111.4 | L132 I133 S138 N139 Q140 | L132-E136 WeakPolarHBondContact O-CB 3.46Å; L132-E136 PolarHBondContact O-N 3.48Å; I133-E136 PolarHBondContact O-N 3.24Å; E136-S138 VanDerWaalsContact C-N 3.33Å; E136-S138 PolarHBondContact O-N 2.98Å; E136-N139 PolarHBondContact O-N 3.4Å; E136-Q140 WeakPolarHBondContact O-CG 3.23Å; E136-Q140 PolarHBondContact O-N 2.95Å; E136-Q140 PolarHBondContact OE1-NE2 3.47Å; E136-Q140 VanDerWaalsContact OE1-NE2 3.08Å |
| 137 | Q | 97.8 | Very high | 97.8 | Very high | 93 Ų | 93 | 96.4 Ų | 96.4 | 44% | 0.435 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 174.6 | -71.4 | 178.1 | 5.1 | 0 | 0 | 112.4 | I133 E134 Q140 R141 | I133-Q137 WeakPolarHBondContact O-CG 3.34Å; I133-Q137 PolarHBondContact O-N 2.98Å; E134-Q137 PolarHBondContact O-N 3.39Å; Q137-Q140 PolarHBondContact O-N 3.21Å; Q137-R141 WeakPolarHBondContact O-CG 3.39Å; Q137-R141 PolarHBondContact O-N 3.46Å; Q137-R141 VanDerWaalsContact O-N 3.09Å |
| 138 | S | 97.5 | Very high | 97.8 | Very high | 59 Ų | 59 | 98.1 Ų | 98.1 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 175.4 | -171.7 | 0 | 0 | 0 | 0 | 111.3 | E134 L135 E136 Q140 R141 L142 | E134-S138 WeakPolarHBondContact O-CB 3.47Å; E134-S138 PolarHBondContact O-N 3.2Å; L135-S138 WeakPolarHBondContact O-CB 3.49Å; L135-S138 PolarHBondContact O-N 3.41Å; E136-S138 VanDerWaalsContact C-N 3.33Å; E136-S138 PolarHBondContact O-N 2.98Å; S138-Q140 VanDerWaalsContact C-N 3.34Å; S138-Q140 PolarHBondContact O-N 2.99Å; S138-R141 WeakPolarHBondContact O-CB 3.47Å; S138-R141 PolarHBondContact O-N 3.19Å; S138-R141 VanDerWaalsContact O-N 3.15Å; S138-L142 PolarHBondContact O-N 3.18Å |
| 139 | N | 98.1 | Very high | 97.8 | Very high | 73 Ų | 73 | 99 Ų | 99 | 39% | 0.39 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 177.5 | -164.9 | 43 | 0 | 0 | 0 | 112 | L135 E136 R141 L142 N143 | L135-N139 WeakPolarHBondContact O-CB 3.43Å; L135-N139 PolarHBondContact O-N 2.94Å; E136-N139 PolarHBondContact O-N 3.4Å; N139-R141 VanDerWaalsContact C-N 3.34Å; N139-R141 PolarHBondContact O-N 2.86Å; N139-L142 PolarHBondContact O-N 2.96Å; N139-N143 PolarHBondContact O-N 3.47Å; N139-N143 PolarHBondContact O-ND2 3.35Å |
| 140 | Q | 97.5 | Very high | 97.7 | Very high | 111 Ų | 111 | 97.1 Ų | 97.1 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 173.9 | -70.6 | 172.1 | 10.1 | 0 | 0 | 112.4 | E136 Q137 S138 N143 A144 | E136-Q140 WeakPolarHBondContact O-CG 3.23Å; E136-Q140 PolarHBondContact O-N 2.95Å; E136-Q140 PolarHBondContact OE1-NE2 3.47Å; E136-Q140 VanDerWaalsContact OE1-NE2 3.08Å; Q137-Q140 PolarHBondContact O-N 3.21Å; S138-Q140 VanDerWaalsContact C-N 3.34Å; S138-Q140 PolarHBondContact O-N 2.99Å; Q140-N143 PolarHBondContact O-N 3.41Å; Q140-A144 PolarHBondContact O-N 2.95Å; Q140-A144 VanDerWaalsContact O-N 3.09Å |
| 141 | R | 97.2 | Very high | 97.7 | Very high | 172 Ų | 172 | 96.4 Ų | 96.4 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.3 | -41.5 | 174.4 | -70.6 | 173.3 | -176.7 | 172.9 | 4.1 | 111.9 | Q137 S138 N139 A144 I145 | Q137-R141 WeakPolarHBondContact O-CG 3.39Å; Q137-R141 PolarHBondContact O-N 3.46Å; Q137-R141 VanDerWaalsContact O-N 3.09Å; S138-R141 WeakPolarHBondContact O-CB 3.47Å; S138-R141 PolarHBondContact O-N 3.19Å; S138-R141 VanDerWaalsContact O-N 3.15Å; N139-R141 VanDerWaalsContact C-N 3.34Å; N139-R141 PolarHBondContact O-N 2.86Å; R141-A144 PolarHBondContact O-N 2.7Å; R141-I145 VanDerWaalsContact O-CG1 3.32Å; R141-I145 WeakPolarHBondContact O-CG1 3.39Å; R141-I145 PolarHBondContact O-N 3.35Å |
| 142 | L | 97.3 | Very high | 97.7 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.2 | -72.5 | 173.7 | 0 | 0 | 0 | 111.6 | S138 N139 A144 I145 E146 | S138-L142 PolarHBondContact O-N 3.18Å; N139-L142 PolarHBondContact O-N 2.96Å; L142-A144 VanDerWaalsContact C-N 3.3Å; L142-A144 PolarHBondContact O-N 3.49Å; L142-I145 PolarHBondContact O-N 3.34Å; L142-I145 VanDerWaalsContact O-N 3.15Å; L142-E146 PolarHBondContact O-N 2.98Å |
| 143 | N | 97.4 | Very high | 97.6 | Very high | 78 Ų | 78 | 101.1 Ų | 101.1 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 176.6 | -68.4 | -24.6 | 0 | 0 | 0 | 112.5 | N139 Q140 E146 T147 | N139-N143 PolarHBondContact O-N 3.47Å; N139-N143 PolarHBondContact O-ND2 3.35Å; Q140-N143 PolarHBondContact O-N 3.41Å; N143-E146 PolarHBondContact O-N 3.03Å; N143-T147 WeakPolarHBondContact O-CB 3.45Å; N143-T147 PolarHBondContact O-N 3.5Å; N143-T147 PolarHBondContact O-OG1 2.93Å |
| 144 | A | 96.4 | Very high | 97.6 | Very high | 49 Ų | 49 | 101.6 Ų | 101.6 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q140 R141 L142 T147 Q148 | Q140-A144 PolarHBondContact O-N 2.95Å; Q140-A144 VanDerWaalsContact O-N 3.09Å; R141-A144 PolarHBondContact O-N 2.7Å; L142-A144 VanDerWaalsContact C-N 3.3Å; L142-A144 PolarHBondContact O-N 3.49Å; A144-T147 PolarHBondContact O-N 2.99Å; A144-Q148 WeakPolarHBondContact O-CG 3.49Å; A144-Q148 PolarHBondContact O-N 2.86Å |
| 145 | I | 97.3 | Very high | 97.6 | Very high | 101 Ų | 101 | 100.7 Ų | 100.7 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 176 | -68.8 | 165.7 | 0 | 0 | 0 | 110.7 | R141 L142 T147 Q148 F149 | R141-I145 VanDerWaalsContact O-CG1 3.32Å; R141-I145 WeakPolarHBondContact O-CG1 3.39Å; R141-I145 PolarHBondContact O-N 3.35Å; L142-I145 PolarHBondContact O-N 3.34Å; L142-I145 VanDerWaalsContact O-N 3.15Å; I145-T147 VanDerWaalsContact C-N 3.35Å; I145-T147 PolarHBondContact O-N 3.38Å; I145-Q148 PolarHBondContact O-N 3.21Å; I145-F149 WeakPolarHBondContact O-CB 3.17Å; I145-F149 PolarHBondContact O-N 3.42Å |
| 146 | E | 98 | Very high | 97.6 | Very high | 112 Ų | 112 | 99.7 Ų | 99.7 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 177.6 | -176.7 | 176.1 | -174.7 | 0 | 0 | 111.6 | L142 N143 Q148 F149 N150 | L142-E146 PolarHBondContact O-N 2.98Å; N143-E146 PolarHBondContact O-N 3.03Å; E146-Q148 VanDerWaalsContact C-N 3.35Å; E146-Q148 PolarHBondContact O-N 3.42Å; E146-F149 PolarHBondContact O-N 2.92Å; E146-N150 WeakPolarHBondContact O-CB 3.42Å; E146-N150 PolarHBondContact O-N 3.39Å; E146-N150 PolarHBondContact O-ND2 3.47Å |
| 147 | T | 97.1 | Very high | 97.5 | Very high | 95 Ų | 95 | 98.1 Ų | 98.1 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.8 | -44.9 | 176.1 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | N143 A144 I145 N150 A151 | N143-T147 WeakPolarHBondContact O-CB 3.45Å; N143-T147 PolarHBondContact O-N 3.5Å; N143-T147 PolarHBondContact O-OG1 2.93Å; A144-T147 PolarHBondContact O-N 2.99Å; I145-T147 VanDerWaalsContact C-N 3.35Å; I145-T147 PolarHBondContact O-N 3.38Å; T147-N150 PolarHBondContact O-N 3.39Å; T147-A151 PolarHBondContact O-N 3.27Å |
| 148 | Q | 97.8 | Very high | 97.5 | Very high | 118 Ų | 118 | 99 Ų | 99 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -43.9 | 175.6 | -71.8 | 177.4 | 13.9 | 0 | 0 | 111.7 | A144 I145 E146 N150 A151 Y152 | A144-Q148 WeakPolarHBondContact O-CG 3.49Å; A144-Q148 PolarHBondContact O-N 2.86Å; I145-Q148 PolarHBondContact O-N 3.21Å; E146-Q148 VanDerWaalsContact C-N 3.35Å; E146-Q148 PolarHBondContact O-N 3.42Å; Q148-N150 VanDerWaalsContact C-N 3.33Å; Q148-N150 PolarHBondContact O-N 2.63Å; Q148-A151 WeakPolarHBondContact O-CB 3.29Å; Q148-A151 PolarHBondContact O-N 2.82Å; Q148-Y152 HydrophobicContact CB-CE2 4.49Å; Q148-Y152 WeakPolarHBondContact O-CD2 3.48Å; Q148-Y152 PolarHBondContact O-N 3.47Å |
| 149 | F | 98.1 | Very high | 97.5 | Very high | 117 Ų | 117 | 100.4 Ų | 100.4 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 178.1 | -179.2 | -101.5 | 0 | 0 | 0 | 112.1 | I145 E146 A151 Y152 R153 | I145-F149 WeakPolarHBondContact O-CB 3.17Å; I145-F149 PolarHBondContact O-N 3.42Å; E146-F149 PolarHBondContact O-N 2.92Å; F149-A151 VanDerWaalsContact C-N 3.35Å; F149-A151 PolarHBondContact O-N 2.97Å; F149-Y152 PolarHBondContact O-N 2.91Å; F149-R153 WeakPolarHBondContact O-CB 3.48Å; F149-R153 PolarHBondContact O-N 3.17Å |
| 150 | N | 97.9 | Very high | 97.5 | Very high | 76 Ų | 76 | 101.5 Ų | 101.5 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 175.9 | -72.4 | -28.3 | 0 | 0 | 0 | 112.1 | E146 T147 Q148 R153 S154 | E146-N150 WeakPolarHBondContact O-CB 3.42Å; E146-N150 PolarHBondContact O-N 3.39Å; E146-N150 PolarHBondContact O-ND2 3.47Å; T147-N150 PolarHBondContact O-N 3.39Å; Q148-N150 VanDerWaalsContact C-N 3.33Å; Q148-N150 PolarHBondContact O-N 2.63Å; N150-R153 PolarHBondContact O-N 2.97Å; N150-S154 PolarHBondContact O-N 3.19Å |
| 151 | A | 97.6 | Very high | 97.4 | Very high | 61 Ų | 61 | 101.9 Ų | 101.9 | 50% | 0.504 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T147 Q148 F149 R153 S154 Q155 | T147-A151 PolarHBondContact O-N 3.27Å; Q148-A151 WeakPolarHBondContact O-CB 3.29Å; Q148-A151 PolarHBondContact O-N 2.82Å; F149-A151 VanDerWaalsContact C-N 3.35Å; F149-A151 PolarHBondContact O-N 2.97Å; A151-R153 VanDerWaalsContact C-N 3.34Å; A151-R153 PolarHBondContact O-N 3.42Å; A151-S154 PolarHBondContact O-N 3.44Å; A151-Q155 WeakPolarHBondContact O-CB 3.41Å; A151-Q155 PolarHBondContact O-N 2.94Å |
| 152 | Y | 97.9 | Very high | 97.5 | Very high | 147 Ų | 147 | 97.5 Ų | 97.5 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -42.2 | 175.6 | -80.4 | -62.9 | 0 | 0 | 0 | 112.4 | Q148 F149 Q155 T156 | Q148-Y152 HydrophobicContact CB-CE2 4.49Å; Q148-Y152 WeakPolarHBondContact O-CD2 3.48Å; Q148-Y152 PolarHBondContact O-N 3.47Å; F149-Y152 PolarHBondContact O-N 2.91Å; Y152-Q155 PolarHBondContact O-N 2.89Å; Y152-T156 WeakPolarHBondContact O-CB 3.27Å; Y152-T156 PolarHBondContact O-N 3.09Å; Y152-T156 PolarHBondContact O-OG1 3.35Å |
| 153 | R | 98 | Very high | 97.5 | Very high | 160 Ų | 160 | 100 Ų | 100 | 60% | 0.604 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.7 | -47 | 175.6 | -176.6 | -169.8 | -79.5 | -170.9 | -5.2 | 111.2 | F149 N150 A151 T156 S157 | F149-R153 WeakPolarHBondContact O-CB 3.48Å; F149-R153 PolarHBondContact O-N 3.17Å; N150-R153 PolarHBondContact O-N 2.97Å; A151-R153 VanDerWaalsContact C-N 3.34Å; A151-R153 PolarHBondContact O-N 3.42Å; R153-T156 PolarHBondContact O-N 3.42Å; R153-S157 PolarHBondContact O-N 3.48Å |
| 154 | S | 97.1 | Very high | 97.5 | Very high | 79 Ų | 79 | 100.3 Ų | 100.3 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.2 | -45.6 | 177.6 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | N150 A151 T156 S157 Q158 | N150-S154 PolarHBondContact O-N 3.19Å; A151-S154 PolarHBondContact O-N 3.44Å; S154-T156 VanDerWaalsContact C-N 3.31Å; S154-T156 PolarHBondContact O-N 3.39Å; S154-S157 WeakPolarHBondContact O-CB 3.41Å; S154-S157 PolarHBondContact O-N 3.03Å; S154-Q158 PolarHBondContact O-N 3.14Å |
| 155 | Q | 97.8 | Very high | 97.6 | Very high | 100 Ų | 100 | 105.2 Ų | 105.2 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 177 | -172.8 | 175.5 | 29.8 | 0 | 0 | 112.3 | A151 Y152 Q158 N159 | A151-Q155 WeakPolarHBondContact O-CB 3.41Å; A151-Q155 PolarHBondContact O-N 2.94Å; Y152-Q155 PolarHBondContact O-N 2.89Å; Q155-Q158 PolarHBondContact O-N 3.32Å; Q155-N159 WeakPolarHBondContact O-CB 3.44Å; Q155-N159 VanDerWaalsContact O-CG 3.25Å; Q155-N159 PolarHBondContact O-N 3.01Å; Q155-N159 PolarHBondContact O-ND2 3.34Å |
| 156 | T | 97.2 | Very high | 97.6 | Very high | 92 Ų | 92 | 105.8 Ų | 105.8 | 56% | 0.564 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 177.9 | -56.7 | 0 | 0 | 0 | 0 | 111 | Y152 R153 S154 Q158 N159 E160 | Y152-T156 WeakPolarHBondContact O-CB 3.27Å; Y152-T156 PolarHBondContact O-N 3.09Å; Y152-T156 PolarHBondContact O-OG1 3.35Å; R153-T156 PolarHBondContact O-N 3.42Å; S154-T156 VanDerWaalsContact C-N 3.31Å; S154-T156 PolarHBondContact O-N 3.39Å; T156-Q158 PolarHBondContact O-N 3.26Å; T156-N159 PolarHBondContact O-N 3.08Å; T156-E160 PolarHBondContact O-N 3.17Å |
| 157 | S | 96.9 | Very high | 97.5 | Very high | 67 Ų | 67 | 103.2 Ų | 103.2 | 47% | 0.469 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.1 | -45.4 | 175.1 | -165.8 | 0 | 0 | 0 | 0 | 111.8 | R153 S154 N159 E160 E161 | R153-S157 PolarHBondContact O-N 3.48Å; S154-S157 WeakPolarHBondContact O-CB 3.41Å; S154-S157 PolarHBondContact O-N 3.03Å; S157-N159 VanDerWaalsContact C-N 3.34Å; S157-N159 PolarHBondContact O-N 3.39Å; S157-E160 PolarHBondContact O-N 2.89Å; S157-E161 WeakPolarHBondContact O-CG 3.44Å; S157-E161 PolarHBondContact O-N 3.49Å |
| 158 | Q | 97.5 | Very high | 97.5 | Very high | 111 Ų | 111 | 105.3 Ų | 105.3 | 52% | 0.519 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 178.3 | -172.4 | 176.7 | 13.6 | 0 | 0 | 112.1 | S154 Q155 T156 E161 N162 | S154-Q158 PolarHBondContact O-N 3.14Å; Q155-Q158 PolarHBondContact O-N 3.32Å; T156-Q158 PolarHBondContact O-N 3.26Å; Q158-E161 PolarHBondContact O-N 2.89Å; Q158-N162 WeakPolarHBondContact O-CB 3.41Å; Q158-N162 VanDerWaalsContact O-CG 3.24Å; Q158-N162 PolarHBondContact O-N 3.2Å; Q158-N162 PolarHBondContact O-ND2 2.94Å |
| 159 | N | 97.7 | Very high | 97.5 | Very high | 89 Ų | 89 | 103.7 Ų | 103.7 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 176.5 | -75.8 | -15.8 | 0 | 0 | 0 | 112.2 | Q155 T156 S157 N162 Y163 | Q155-N159 WeakPolarHBondContact O-CB 3.44Å; Q155-N159 VanDerWaalsContact O-CG 3.25Å; Q155-N159 PolarHBondContact O-N 3.01Å; Q155-N159 PolarHBondContact O-ND2 3.34Å; T156-N159 PolarHBondContact O-N 3.08Å; S157-N159 VanDerWaalsContact C-N 3.34Å; S157-N159 PolarHBondContact O-N 3.39Å; N159-N162 PolarHBondContact O-N 3.38Å; N159-Y163 WeakPolarHBondContact O-CB 3.46Å; N159-Y163 PolarHBondContact O-N 3.33Å |
| 160 | E | 97.4 | Very high | 97.5 | Very high | 96 Ų | 96 | 104.9 Ų | 104.9 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 175.1 | -178.7 | 56.4 | -144.6 | 0 | 0 | 111.3 | T156 S157 N162 Y163 Q164 | T156-E160 PolarHBondContact O-N 3.17Å; S157-E160 PolarHBondContact O-N 2.89Å; E160-N162 VanDerWaalsContact C-N 3.34Å; E160-N162 PolarHBondContact O-N 2.99Å; E160-Y163 PolarHBondContact O-N 3.34Å; E160-Q164 WeakPolarHBondContact O-CG 3.35Å; E160-Q164 PolarHBondContact O-N 3.25Å; E160-Q164 PolarHBondContact OE1-NE2 3.05Å |
| 161 | E | 96.6 | Very high | 97.5 | Very high | 118 Ų | 118 | 104.7 Ų | 104.7 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.9 | -43.6 | 174.6 | -72.2 | 174.7 | -165.1 | 0 | 0 | 112.2 | S157 Q158 Q164 R165 | S157-E161 WeakPolarHBondContact O-CG 3.44Å; S157-E161 PolarHBondContact O-N 3.49Å; Q158-E161 PolarHBondContact O-N 2.89Å; E161-Q164 PolarHBondContact O-N 2.97Å; E161-R165 WeakPolarHBondContact O-CB 3.42Å; E161-R165 PolarHBondContact O-N 3.22Å |
| 162 | N | 97.7 | Very high | 97.5 | Very high | 81 Ų | 81 | 106.4 Ų | 106.4 | 43% | 0.433 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 176.1 | -75.6 | -25.9 | 0 | 0 | 0 | 111.7 | Q158 N159 E160 R165 L166 | Q158-N162 WeakPolarHBondContact O-CB 3.41Å; Q158-N162 VanDerWaalsContact O-CG 3.24Å; Q158-N162 PolarHBondContact O-N 3.2Å; Q158-N162 PolarHBondContact O-ND2 2.94Å; N159-N162 PolarHBondContact O-N 3.38Å; E160-N162 VanDerWaalsContact C-N 3.34Å; E160-N162 PolarHBondContact O-N 2.99Å; N162-R165 PolarHBondContact O-N 2.7Å; N162-L166 WeakPolarHBondContact O-CB 3.34Å; N162-L166 PolarHBondContact O-N 3.43Å |
| 163 | Y | 97.7 | Very high | 97.5 | Very high | 153 Ų | 153 | 105.8 Ų | 105.8 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -46.3 | 177.1 | 176.4 | -101.6 | 0 | 0 | 0 | 111.4 | N159 E160 R165 L166 S167 | N159-Y163 WeakPolarHBondContact O-CB 3.46Å; N159-Y163 PolarHBondContact O-N 3.33Å; E160-Y163 PolarHBondContact O-N 3.34Å; Y163-R165 VanDerWaalsContact C-N 3.32Å; Y163-R165 PolarHBondContact O-N 2.93Å; Y163-L166 PolarHBondContact O-N 2.86Å; Y163-S167 WeakPolarHBondContact O-CB 3.41Å; Y163-S167 PolarHBondContact O-N 3.47Å |
| 164 | Q | 97.5 | Very high | 97.5 | Very high | 84 Ų | 84 | 103.8 Ų | 103.8 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 177.1 | -69.7 | 177.7 | 16.3 | 0 | 0 | 112.3 | E160 E161 R168 | E160-Q164 WeakPolarHBondContact O-CG 3.35Å; E160-Q164 PolarHBondContact O-N 3.25Å; E160-Q164 PolarHBondContact OE1-NE2 3.05Å; E161-Q164 PolarHBondContact O-N 2.97Å; Q164-R168 WeakPolarHBondContact O-CG 3.24Å; Q164-R168 PolarHBondContact O-N 3.38Å |
| 165 | R | 97.8 | Very high | 97.5 | Very high | 152 Ų | 152 | 105.6 Ų | 105.6 | 57% | 0.574 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62 | -50.6 | 174.4 | 179.8 | -178.4 | 173.4 | 169.5 | 1.4 | 111.3 | E161 N162 Y163 S167 R168 E169 | E161-R165 WeakPolarHBondContact O-CB 3.42Å; E161-R165 PolarHBondContact O-N 3.22Å; N162-R165 PolarHBondContact O-N 2.7Å; Y163-R165 VanDerWaalsContact C-N 3.32Å; Y163-R165 PolarHBondContact O-N 2.93Å; R165-S167 VanDerWaalsContact C-N 3.29Å; R165-S167 PolarHBondContact O-N 2.87Å; R165-R168 WeakPolarHBondContact O-CB 3.31Å; R165-R168 PolarHBondContact O-N 3.18Å; R165-E169 IonicContact CZ-OE1 3.61Å; R165-E169 IonicContact NE-OE1 2.61Å; R165-E169 PolarHBondContact NE-OE1 2.84Å; R165-E169 IonicContact NH2-OE1 3.53Å; R165-E169 PolarHBondContact NH2-OE1 3.14Å; R165-E169 WeakPolarHBondContact O-CG 3.21Å; R165-E169 PolarHBondContact O-N 3.02Å |
| 166 | L | 97.5 | Very high | 97.5 | Very high | 113 Ų | 113 | 104.5 Ų | 104.5 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -40 | 180 | -174.9 | 65 | 0 | 0 | 0 | 111.6 | N162 Y163 E169 F170 | N162-L166 WeakPolarHBondContact O-CB 3.34Å; N162-L166 PolarHBondContact O-N 3.43Å; Y163-L166 PolarHBondContact O-N 2.86Å; L166-E169 PolarHBondContact O-N 3.32Å; L166-F170 WeakPolarHBondContact O-CB 3.4Å; L166-F170 PolarHBondContact O-N 3.15Å |
| 167 | S | 97.7 | Very high | 97.6 | Very high | 58 Ų | 58 | 106.6 Ų | 106.6 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 175 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | Y163 R165 F170 V171 | Y163-S167 WeakPolarHBondContact O-CB 3.41Å; Y163-S167 PolarHBondContact O-N 3.47Å; R165-S167 VanDerWaalsContact C-N 3.29Å; R165-S167 PolarHBondContact O-N 2.87Å; S167-F170 PolarHBondContact O-N 3.43Å; S167-V171 WeakPolarHBondContact O-CG2 3.41Å; S167-V171 PolarHBondContact O-N 2.85Å; S167-V171 VanDerWaalsContact O-N 3.13Å |
| 168 | R | 97.2 | Very high | 97.6 | Very high | 140 Ų | 140 | 108.4 Ų | 108.4 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 174.1 | -73.4 | -175.9 | -70.2 | -98.1 | 1.7 | 112.1 | Q164 R165 F170 V171 I172 | Q164-R168 WeakPolarHBondContact O-CG 3.24Å; Q164-R168 PolarHBondContact O-N 3.38Å; R165-R168 WeakPolarHBondContact O-CB 3.31Å; R165-R168 PolarHBondContact O-N 3.18Å; R168-F170 VanDerWaalsContact C-N 3.31Å; R168-F170 PolarHBondContact O-N 2.97Å; R168-V171 PolarHBondContact O-N 3.45Å; R168-I172 WeakPolarHBondContact O-CG1 3.5Å; R168-I172 PolarHBondContact O-N 3.01Å; R168-I172 VanDerWaalsContact O-N 3.08Å |
| 169 | E | 97.2 | Very high | 97.6 | Very high | 84 Ų | 84 | 107.7 Ų | 107.7 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 178.1 | -73.3 | 176.1 | -174.3 | 0 | 0 | 111.7 | R165 L166 I172 M173 | R165-E169 IonicContact CZ-OE1 3.61Å; R165-E169 IonicContact NE-OE1 2.61Å; R165-E169 PolarHBondContact NE-OE1 2.84Å; R165-E169 IonicContact NH2-OE1 3.53Å; R165-E169 PolarHBondContact NH2-OE1 3.14Å; R165-E169 WeakPolarHBondContact O-CG 3.21Å; R165-E169 PolarHBondContact O-N 3.02Å; L166-E169 PolarHBondContact O-N 3.32Å; E169-I172 PolarHBondContact O-N 3.42Å; E169-M173 WeakPolarHBondContact O-CB 3.36Å; E169-M173 PolarHBondContact O-N 3.29Å |
| 170 | F | 97.8 | Very high | 97.6 | Very high | 141 Ų | 141 | 106.2 Ų | 106.2 | 62% | 0.618 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 175.9 | -178.9 | -98 | 0 | 0 | 0 | 112.5 | L166 S167 R168 M173 K174 | L166-F170 WeakPolarHBondContact O-CB 3.4Å; L166-F170 PolarHBondContact O-N 3.15Å; S167-F170 PolarHBondContact O-N 3.43Å; R168-F170 VanDerWaalsContact C-N 3.31Å; R168-F170 PolarHBondContact O-N 2.97Å; F170-M173 PolarHBondContact O-N 3.37Å; F170-K174 WeakPolarHBondContact O-CB 3.44Å; F170-K174 PolarHBondContact O-N 3.5Å |
| 171 | V | 97.8 | Very high | 97.6 | Very high | 73 Ų | 73 | 106.2 Ų | 106.2 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | S167 R168 M173 K174 Q175 | S167-V171 WeakPolarHBondContact O-CG2 3.41Å; S167-V171 PolarHBondContact O-N 2.85Å; S167-V171 VanDerWaalsContact O-N 3.13Å; R168-V171 PolarHBondContact O-N 3.45Å; V171-M173 PolarHBondContact O-N 3.46Å; V171-K174 PolarHBondContact O-N 2.99Å; V171-Q175 WeakPolarHBondContact O-CG 3.26Å; V171-Q175 PolarHBondContact O-N 2.61Å |
| 172 | I | 97.6 | Very high | 97.6 | Very high | 96 Ų | 96 | 104.7 Ų | 104.7 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 177.8 | -67.1 | 167 | 0 | 0 | 0 | 110.2 | R168 E169 K174 Q175 C176 | R168-I172 WeakPolarHBondContact O-CG1 3.5Å; R168-I172 PolarHBondContact O-N 3.01Å; R168-I172 VanDerWaalsContact O-N 3.08Å; E169-I172 PolarHBondContact O-N 3.42Å; I172-K174 VanDerWaalsContact C-N 3.29Å; I172-K174 PolarHBondContact O-N 3.46Å; I172-Q175 PolarHBondContact O-N 3.4Å; I172-C176 WeakPolarHBondContact O-CB 2.94Å; I172-C176 PolarHBondContact O-N 3.12Å; I172-C176 PolarHBondContact O-SG 3.24Å; I172-C176 VanDerWaalsContact O-SG 3.34Å |
| 173 | M | 97.6 | Very high | 97.5 | Very high | 134 Ų | 134 | 105 Ų | 105 | 66% | 0.66 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.9 | -41.1 | 179 | -172.5 | -176.3 | -62.6 | 0 | 0 | 111.9 | E169 F170 V171 C176 K177 | E169-M173 WeakPolarHBondContact O-CB 3.36Å; E169-M173 PolarHBondContact O-N 3.29Å; F170-M173 PolarHBondContact O-N 3.37Å; V171-M173 PolarHBondContact O-N 3.46Å; M173-C176 PolarHBondContact O-N 3.15Å; M173-K177 WeakPolarHBondContact O-CB 3.43Å; M173-K177 PolarHBondContact O-N 3.01Å |
| 174 | K | 98 | Very high | 97.5 | Very high | 119 Ų | 119 | 100.5 Ų | 100.5 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 175.3 | -173 | -178.7 | 176.5 | -173.6 | 0 | 111.5 | F170 V171 I172 K177 E178 | F170-K174 WeakPolarHBondContact O-CB 3.44Å; F170-K174 PolarHBondContact O-N 3.5Å; V171-K174 PolarHBondContact O-N 2.99Å; I172-K174 VanDerWaalsContact C-N 3.29Å; I172-K174 PolarHBondContact O-N 3.46Å; K174-K177 WeakPolarHBondContact O-CB 3.36Å; K174-K177 PolarHBondContact O-N 3.44Å; K174-E178 WeakPolarHBondContact CE-OE1 3.31Å; K174-E178 WeakPolarHBondContact O-CG 3.4Å; K174-E178 PolarHBondContact O-N 3.4Å |
| 175 | Q | 97.7 | Very high | 97.5 | Very high | 117 Ų | 117 | 103 Ų | 103 | 55% | 0.547 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.9 | -70.9 | 175.5 | -19.6 | 0 | 0 | 112.1 | V171 I172 K177 E178 Q179 | V171-Q175 WeakPolarHBondContact O-CG 3.26Å; V171-Q175 PolarHBondContact O-N 2.61Å; I172-Q175 PolarHBondContact O-N 3.4Å; Q175-K177 VanDerWaalsContact C-N 3.3Å; Q175-K177 PolarHBondContact O-N 3.38Å; Q175-E178 PolarHBondContact O-N 2.9Å; Q175-Q179 WeakPolarHBondContact O-CB 3.45Å; Q175-Q179 PolarHBondContact O-N 3.38Å |
| 176 | C | 97.9 | Very high | 97.4 | Very high | 77 Ų | 77 | 99.5 Ų | 99.5 | 52% | 0.52 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.4 | -72.3 | 0 | 0 | 0 | 0 | 111.8 | I172 M173 A180 | I172-C176 WeakPolarHBondContact O-CB 2.94Å; I172-C176 PolarHBondContact O-N 3.12Å; I172-C176 PolarHBondContact O-SG 3.24Å; I172-C176 VanDerWaalsContact O-SG 3.34Å; M173-C176 PolarHBondContact O-N 3.15Å; C176-A180 WeakPolarHBondContact O-CB 3.49Å; C176-A180 PolarHBondContact O-N 3.48Å |
| 177 | K | 98 | Very high | 97.3 | Very high | 136 Ų | 136 | 98.2 Ų | 98.2 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.6 | -50 | 176.1 | -178.5 | -179.2 | 173.6 | -177.4 | 0 | 111.5 | M173 K174 Q175 Q179 A180 E181 | M173-K177 WeakPolarHBondContact O-CB 3.43Å; M173-K177 PolarHBondContact O-N 3.01Å; K174-K177 WeakPolarHBondContact O-CB 3.36Å; K174-K177 PolarHBondContact O-N 3.44Å; Q175-K177 VanDerWaalsContact C-N 3.3Å; Q175-K177 PolarHBondContact O-N 3.38Å; K177-Q179 VanDerWaalsContact C-N 3.3Å; K177-Q179 PolarHBondContact O-N 3.07Å; K177-A180 PolarHBondContact O-N 3.08Å; K177-E181 WeakPolarHBondContact CE-OE1 3.42Å; K177-E181 WeakPolarHBondContact O-CG 3.47Å; K177-E181 PolarHBondContact O-N 3.26Å |
| 178 | E | 97.6 | Very high | 97.3 | Very high | 104 Ų | 104 | 99.7 Ų | 99.7 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 178.3 | -71.6 | 170.5 | -176.6 | 0 | 0 | 111.5 | K174 Q175 E181 L182 | K174-E178 WeakPolarHBondContact CE-OE1 3.31Å; K174-E178 WeakPolarHBondContact O-CG 3.4Å; K174-E178 PolarHBondContact O-N 3.4Å; Q175-E178 PolarHBondContact O-N 2.9Å; E178-E181 PolarHBondContact O-N 3.49Å; E178-L182 WeakPolarHBondContact O-CB 3.46Å; E178-L182 PolarHBondContact O-N 2.73Å |
| 179 | Q | 97.4 | Very high | 97.2 | Very high | 97 Ų | 97 | 97.9 Ų | 97.9 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 176.1 | -172 | 61.4 | 47.6 | 0 | 0 | 112.3 | Q175 K177 L182 N183 | Q175-Q179 WeakPolarHBondContact O-CB 3.45Å; Q175-Q179 PolarHBondContact O-N 3.38Å; K177-Q179 VanDerWaalsContact C-N 3.3Å; K177-Q179 PolarHBondContact O-N 3.07Å; Q179-L182 PolarHBondContact O-N 2.88Å; Q179-N183 PolarHBondContact NE2-OD1 2.91Å; Q179-N183 WeakPolarHBondContact O-CB 3.43Å; Q179-N183 PolarHBondContact O-N 3.47Å; Q179-N183 PolarHBondContact O-ND2 3.41Å; Q179-N183 PolarHBondContact O-OD1 3.18Å |
| 180 | A | 97.2 | Very high | 97.1 | Very high | 57 Ų | 57 | 98.1 Ų | 98.1 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | C176 K177 N183 A184 | C176-A180 WeakPolarHBondContact O-CB 3.49Å; C176-A180 PolarHBondContact O-N 3.48Å; K177-A180 PolarHBondContact O-N 3.08Å; A180-N183 PolarHBondContact O-N 3.5Å; A180-A184 WeakPolarHBondContact O-CB 3.35Å; A180-A184 PolarHBondContact O-N 3.13Å |
| 181 | E | 97.5 | Very high | 97.1 | Very high | 97 Ų | 97 | 97 Ų | 97 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -41 | 175.1 | -71.6 | 176.8 | -170.5 | 0 | 0 | 112 | K177 E178 A184 K185 | K177-E181 WeakPolarHBondContact CE-OE1 3.42Å; K177-E181 WeakPolarHBondContact O-CG 3.47Å; K177-E181 PolarHBondContact O-N 3.26Å; E178-E181 PolarHBondContact O-N 3.49Å; E181-A184 PolarHBondContact O-N 3.14Å; E181-K185 WeakPolarHBondContact O-CG 3.44Å; E181-K185 PolarHBondContact O-N 3.39Å |
| 182 | L | 97.1 | Very high | 97 | Very high | 85 Ų | 85 | 98.4 Ų | 98.4 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -45.8 | 173.9 | 179.5 | 63.2 | 0 | 0 | 0 | 111.5 | E178 Q179 A184 K185 N186 | E178-L182 WeakPolarHBondContact O-CB 3.46Å; E178-L182 PolarHBondContact O-N 2.73Å; Q179-L182 PolarHBondContact O-N 2.88Å; L182-A184 VanDerWaalsContact C-N 3.32Å; L182-A184 PolarHBondContact O-N 2.94Å; L182-K185 PolarHBondContact O-N 3.04Å; L182-N186 PolarHBondContact O-N 3.4Å |
| 183 | N | 96.8 | Very high | 96.9 | Very high | 87 Ų | 87 | 97.4 Ų | 97.4 | 47% | 0.465 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 177.9 | -71.6 | -9.4 | 0 | 0 | 0 | 111.7 | Q179 A180 N186 C187 | Q179-N183 PolarHBondContact NE2-OD1 2.91Å; Q179-N183 WeakPolarHBondContact O-CB 3.43Å; Q179-N183 PolarHBondContact O-N 3.47Å; Q179-N183 PolarHBondContact O-ND2 3.41Å; Q179-N183 PolarHBondContact O-OD1 3.18Å; A180-N183 PolarHBondContact O-N 3.5Å; N183-N186 PolarHBondContact O-N 3.43Å; N183-C187 WeakPolarHBondContact O-CB 3.43Å; N183-C187 PolarHBondContact O-N 2.97Å |
| 184 | A | 96.8 | Very high | 96.7 | Very high | 60 Ų | 60 | 98.2 Ų | 98.2 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A180 E181 L182 N186 C187 E188 | A180-A184 WeakPolarHBondContact O-CB 3.35Å; A180-A184 PolarHBondContact O-N 3.13Å; E181-A184 PolarHBondContact O-N 3.14Å; L182-A184 VanDerWaalsContact C-N 3.32Å; L182-A184 PolarHBondContact O-N 2.94Å; A184-N186 VanDerWaalsContact C-N 3.34Å; A184-N186 PolarHBondContact O-N 3.45Å; A184-C187 WeakPolarHBondContact O-CB 3.41Å; A184-C187 PolarHBondContact O-N 3.38Å; A184-E188 PolarHBondContact O-N 2.93Å |
| 185 | K | 97 | Very high | 96.6 | Very high | 137 Ų | 137 | 97.2 Ų | 97.2 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.5 | -41.4 | 174.9 | -71.8 | 177.1 | -175.4 | 176 | 0 | 112.2 | E181 L182 E188 N189 | E181-K185 WeakPolarHBondContact O-CG 3.44Å; E181-K185 PolarHBondContact O-N 3.39Å; L182-K185 PolarHBondContact O-N 3.04Å; K185-E188 PolarHBondContact O-N 3.45Å; K185-N189 WeakPolarHBondContact O-CB 3.41Å; K185-N189 VanDerWaalsContact O-CG 3.31Å; K185-N189 PolarHBondContact O-N 3.35Å; K185-N189 PolarHBondContact O-ND2 3.02Å |
| 186 | N | 96.5 | Very high | 96.5 | Very high | 77 Ų | 77 | 98 Ų | 98 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 176.9 | -75 | -17.4 | 0 | 0 | 0 | 112.1 | L182 N183 A184 N189 N190 | L182-N186 PolarHBondContact O-N 3.4Å; N183-N186 PolarHBondContact O-N 3.43Å; A184-N186 VanDerWaalsContact C-N 3.34Å; A184-N186 PolarHBondContact O-N 3.45Å; N186-N189 PolarHBondContact O-N 3.05Å; N186-N190 WeakPolarHBondContact O-CB 3.1Å; N186-N190 VanDerWaalsContact O-CG 3.28Å; N186-N190 PolarHBondContact O-N 3.49Å; N186-N190 PolarHBondContact O-ND2 3Å |
| 187 | C | 96.1 | Very high | 96.4 | Very high | 87 Ų | 87 | 100.5 Ų | 100.5 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61 | -46.2 | 175.2 | -169.9 | 0 | 0 | 0 | 0 | 111.1 | N183 A184 N190 R191 | N183-C187 WeakPolarHBondContact O-CB 3.43Å; N183-C187 PolarHBondContact O-N 2.97Å; A184-C187 WeakPolarHBondContact O-CB 3.41Å; A184-C187 PolarHBondContact O-N 3.38Å; C187-N190 PolarHBondContact O-N 3.1Å; C187-R191 WeakPolarHBondContact O-CB 3.33Å; C187-R191 PolarHBondContact O-N 3.28Å |
| 188 | E | 96 | Very high | 96.2 | Very high | 89 Ų | 89 | 99.1 Ų | 99.1 | 42% | 0.416 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 178.1 | -176.7 | 61.9 | -175 | 0 | 0 | 112.5 | A184 K185 N190 R191 L192 | A184-E188 PolarHBondContact O-N 2.93Å; K185-E188 PolarHBondContact O-N 3.45Å; E188-N190 VanDerWaalsContact C-N 3.34Å; E188-N190 PolarHBondContact O-N 2.92Å; E188-R191 VanDerWaalsContact CD-NH2 3.26Å; E188-R191 WeakPolarHBondContact O-CB 3.5Å; E188-R191 PolarHBondContact O-N 3.18Å; E188-R191 IonicContact OE1-CZ 3.73Å; E188-R191 IonicContact OE1-NE 2.67Å; E188-R191 IonicContact OE1-NH2 3.56Å; E188-R191 PolarHBondContact OE1-NH2 2.99Å; E188-R191 IonicContact OE2-CZ 2.79Å; E188-R191 IonicContact OE2-NE 3.07Å; E188-R191 PolarHBondContact OE2-NE 3.05Å; E188-R191 IonicContact OE2-NH2 3.37Å; E188-R191 PolarHBondContact OE2-NH2 3.25Å; E188-L192 PolarHBondContact O-N 3.03Å |
| 189 | N | 96.3 | Very high | 96 | Very high | 101 Ų | 101 | 101 Ų | 101 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 174.7 | -75.8 | -22.3 | 0 | 0 | 0 | 112.1 | K185 N186 L192 L193 | K185-N189 WeakPolarHBondContact O-CB 3.41Å; K185-N189 VanDerWaalsContact O-CG 3.31Å; K185-N189 PolarHBondContact O-N 3.35Å; K185-N189 PolarHBondContact O-ND2 3.02Å; N186-N189 PolarHBondContact O-N 3.05Å; N189-L192 PolarHBondContact O-N 2.9Å; N189-L193 WeakPolarHBondContact O-CB 3.44Å; N189-L193 PolarHBondContact O-N 3.34Å |
| 190 | N | 95.4 | Very high | 95.7 | Very high | 89 Ų | 89 | 100.6 Ų | 100.6 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 176.9 | -75.2 | -18.5 | 0 | 0 | 0 | 111.2 | N186 C187 E188 L193 Y194 | N186-N190 WeakPolarHBondContact O-CB 3.1Å; N186-N190 VanDerWaalsContact O-CG 3.28Å; N186-N190 PolarHBondContact O-N 3.49Å; N186-N190 PolarHBondContact O-ND2 3Å; C187-N190 PolarHBondContact O-N 3.1Å; E188-N190 VanDerWaalsContact C-N 3.34Å; E188-N190 PolarHBondContact O-N 2.92Å; N190-L193 WeakPolarHBondContact O-CB 3.4Å; N190-L193 PolarHBondContact O-N 3.18Å; N190-Y194 HydrophobicContact CB-CE2 4.47Å; N190-Y194 WeakPolarHBondContact O-CD2 3.38Å; N190-Y194 PolarHBondContact O-N 2.96Å |
| 191 | R | 96.4 | Very high | 95.5 | Very high | 117 Ų | 117 | 102.8 Ų | 102.8 | 44% | 0.442 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.9 | -51.2 | 175.3 | -176 | 179.7 | 73.6 | 100.5 | -11.7 | 111.3 | C187 E188 L193 Y194 E195 | C187-R191 WeakPolarHBondContact O-CB 3.33Å; C187-R191 PolarHBondContact O-N 3.28Å; E188-R191 VanDerWaalsContact CD-NH2 3.26Å; E188-R191 WeakPolarHBondContact O-CB 3.5Å; E188-R191 PolarHBondContact O-N 3.18Å; E188-R191 IonicContact OE1-CZ 3.73Å; E188-R191 IonicContact OE1-NE 2.67Å; E188-R191 IonicContact OE1-NH2 3.56Å; E188-R191 PolarHBondContact OE1-NH2 2.99Å; E188-R191 IonicContact OE2-CZ 2.79Å; E188-R191 IonicContact OE2-NE 3.07Å; E188-R191 PolarHBondContact OE2-NE 3.05Å; E188-R191 IonicContact OE2-NH2 3.37Å; E188-R191 PolarHBondContact OE2-NH2 3.25Å; R191-L193 VanDerWaalsContact C-N 3.28Å; R191-L193 PolarHBondContact O-N 3.49Å; R191-Y194 PolarHBondContact O-N 3.46Å; R191-Y194 VanDerWaalsContact O-N 3.15Å; R191-E195 IonicContact CZ-OE1 3.51Å; R191-E195 IonicContact NH1-OE1 2.7Å; R191-E195 PolarHBondContact NH1-OE1 3.19Å; R191-E195 PolarHBondContact O-N 2.91Å |
| 192 | L | 96.1 | Very high | 95.3 | Very high | 104 Ų | 104 | 102.4 Ų | 102.4 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -37.2 | 178.5 | -170.4 | 69.2 | 0 | 0 | 0 | 112.1 | E188 N189 K196 | E188-L192 PolarHBondContact O-N 3.03Å; N189-L192 PolarHBondContact O-N 2.9Å; L192-K196 WeakPolarHBondContact O-CB 3.41Å; L192-K196 PolarHBondContact O-N 3.4Å |
| 193 | L | 95.5 | Very high | 94.9 | Very high | 75 Ų | 75 | 102.9 Ų | 102.9 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 175 | -178.7 | 65.3 | 0 | 0 | 0 | 111.9 | N189 N190 R191 K196 R197 | N189-L193 WeakPolarHBondContact O-CB 3.44Å; N189-L193 PolarHBondContact O-N 3.34Å; N190-L193 WeakPolarHBondContact O-CB 3.4Å; N190-L193 PolarHBondContact O-N 3.18Å; R191-L193 VanDerWaalsContact C-N 3.28Å; R191-L193 PolarHBondContact O-N 3.49Å; L193-K196 PolarHBondContact O-N 3.41Å; L193-R197 WeakPolarHBondContact O-CG 3.44Å; L193-R197 PolarHBondContact O-N 2.86Å |
| 194 | Y | 94.4 | Very high | 94.7 | Very high | 151 Ų | 151 | 105.4 Ų | 105.4 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.3 | -45.1 | 176.1 | -75.2 | -64.2 | 0 | 0 | 0 | 112.1 | N190 R191 K196 R197 M198 | N190-Y194 HydrophobicContact CB-CE2 4.47Å; N190-Y194 WeakPolarHBondContact O-CD2 3.38Å; N190-Y194 PolarHBondContact O-N 2.96Å; R191-Y194 PolarHBondContact O-N 3.46Å; R191-Y194 VanDerWaalsContact O-N 3.15Å; Y194-K196 VanDerWaalsContact C-N 3.28Å; Y194-K196 PolarHBondContact O-N 3.48Å; Y194-R197 PolarHBondContact O-N 3.48Å; Y194-M198 WeakPolarHBondContact O-CG 3.39Å; Y194-M198 PolarHBondContact O-N 2.87Å |
| 195 | E | 95.1 | Very high | 94.5 | Very high | 97 Ų | 97 | 107.2 Ų | 107.2 | 45% | 0.453 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.5 | -43.9 | 175.4 | -75.6 | 176.4 | -168.1 | 0 | 0 | 111.3 | R191 M198 K199 | R191-E195 IonicContact CZ-OE1 3.51Å; R191-E195 IonicContact NH1-OE1 2.7Å; R191-E195 PolarHBondContact NH1-OE1 3.19Å; R191-E195 PolarHBondContact O-N 2.91Å; E195-M198 PolarHBondContact O-N 2.85Å; E195-K199 PolarHBondContact O-N 3.47Å |
| 196 | K | 95.7 | Very high | 94.2 | Very high | 133 Ų | 133 | 105.1 Ų | 105.1 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -45.8 | 176.1 | -172.2 | 177.9 | 178.8 | -178.5 | 0 | 112.2 | L192 L193 Y194 M198 K199 E200 | L192-K196 WeakPolarHBondContact O-CB 3.41Å; L192-K196 PolarHBondContact O-N 3.4Å; L193-K196 PolarHBondContact O-N 3.41Å; Y194-K196 VanDerWaalsContact C-N 3.28Å; Y194-K196 PolarHBondContact O-N 3.48Å; K196-M198 PolarHBondContact O-N 3.25Å; K196-K199 PolarHBondContact O-N 2.95Å; K196-E200 WeakPolarHBondContact CE-OE1 3.33Å; K196-E200 WeakPolarHBondContact O-CG 3.29Å; K196-E200 PolarHBondContact O-N 3.03Å |
| 197 | R | 95.6 | Very high | 93.8 | Very high | 130 Ų | 130 | 106 Ų | 106 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 178.2 | -75.2 | 179.4 | -176.3 | 174.7 | 2.7 | 112.5 | L193 Y194 E200 L201 | L193-R197 WeakPolarHBondContact O-CG 3.44Å; L193-R197 PolarHBondContact O-N 2.86Å; Y194-R197 PolarHBondContact O-N 3.48Å; R197-E200 PolarHBondContact O-N 2.87Å; R197-L201 WeakPolarHBondContact O-CB 3.36Å; R197-L201 WeakPolarHBondContact O-CG 3.25Å; R197-L201 PolarHBondContact O-N 2.94Å |
| 198 | M | 92.9 | Very high | 93.5 | Very high | 107 Ų | 107 | 105.2 Ų | 105.2 | 53% | 0.527 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 175.6 | -74.7 | -59 | -60.9 | 0 | 0 | 111.2 | Y194 E195 K196 E200 L201 D202 | Y194-M198 WeakPolarHBondContact O-CG 3.39Å; Y194-M198 PolarHBondContact O-N 2.87Å; E195-M198 PolarHBondContact O-N 2.85Å; K196-M198 PolarHBondContact O-N 3.25Å; M198-E200 PolarHBondContact O-N 3.2Å; M198-L201 WeakPolarHBondContact O-CB 3.47Å; M198-L201 PolarHBondContact O-N 3.41Å; M198-L201 VanDerWaalsContact O-N 3.13Å; M198-L201 HydrophobicContact SD-CD1 4.4Å; M198-D202 PolarHBondContact O-N 3.26Å |
| 199 | K | 93.4 | Very high | 93.2 | Very high | 143 Ų | 143 | 105.4 Ų | 105.4 | 62% | 0.622 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 175.7 | -166.3 | 175.4 | -176.3 | 176.3 | 0 | 112.4 | E195 K196 L201 D202 D203 | E195-K199 PolarHBondContact O-N 3.47Å; K196-K199 PolarHBondContact O-N 2.95Å; K199-L201 VanDerWaalsContact C-N 3.3Å; K199-L201 PolarHBondContact O-N 2.67Å; K199-D202 PolarHBondContact O-N 3.43Å; K199-D203 WeakPolarHBondContact O-CB 3.43Å; K199-D203 VanDerWaalsContact O-CG 3.24Å; K199-D203 PolarHBondContact O-N 3.46Å |
| 200 | E | 92.5 | Very high | 92.8 | Very high | 90 Ų | 90 | 103.7 Ų | 103.7 | 42% | 0.421 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -34.5 | 174.8 | -73 | 174 | -166.1 | 0 | 0 | 112.8 | K196 R197 M198 K204 | K196-E200 WeakPolarHBondContact CE-OE1 3.33Å; K196-E200 WeakPolarHBondContact O-CG 3.29Å; K196-E200 PolarHBondContact O-N 3.03Å; R197-E200 PolarHBondContact O-N 2.87Å; M198-E200 PolarHBondContact O-N 3.2Å; E200-K204 VanDerWaalsContact O-CG 3.28Å; E200-K204 WeakPolarHBondContact O-CG 3.34Å; E200-K204 PolarHBondContact O-N 3.36Å; E200-K204 VanDerWaalsContact O-N 3.16Å |
| 201 | L | 92.6 | Very high | 92.5 | Very high | 103 Ų | 103 | 105.7 Ų | 105.7 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.4 | -44.6 | 174.8 | -83.2 | 157.9 | 0 | 0 | 0 | 111.7 | R197 M198 K199 K204 L205 | R197-L201 WeakPolarHBondContact O-CB 3.36Å; R197-L201 WeakPolarHBondContact O-CG 3.25Å; R197-L201 PolarHBondContact O-N 2.94Å; M198-L201 WeakPolarHBondContact O-CB 3.47Å; M198-L201 PolarHBondContact O-N 3.41Å; M198-L201 VanDerWaalsContact O-N 3.13Å; M198-L201 HydrophobicContact SD-CD1 4.4Å; K199-L201 VanDerWaalsContact C-N 3.3Å; K199-L201 PolarHBondContact O-N 2.67Å; L201-K204 PolarHBondContact O-N 2.93Å; L201-L205 VanDerWaalsContact O-CB 3.29Å; L201-L205 WeakPolarHBondContact O-CB 3.47Å; L201-L205 PolarHBondContact O-N 2.86Å |
| 202 | D | 92.4 | Very high | 92.1 | Very high | 88 Ų | 88 | 106.6 Ų | 106.6 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 176.9 | -75.2 | -22.4 | 0 | 0 | 0 | 111.3 | M198 K199 K204 L205 T206 | M198-D202 PolarHBondContact O-N 3.26Å; K199-D202 PolarHBondContact O-N 3.43Å; D202-K204 PolarHBondContact O-N 2.96Å; D202-L205 PolarHBondContact O-N 3.31Å; D202-T206 VanDerWaalsContact O-CB 3.32Å; D202-T206 WeakPolarHBondContact O-CB 3.27Å; D202-T206 PolarHBondContact O-N 2.9Å; D202-T206 PolarHBondContact O-OG1 2.93Å |
| 203 | D | 89.9 | Confident | 91.7 | Very high | 95 Ų | 95 | 106.3 Ų | 106.3 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 174.7 | -72.6 | -20.4 | 0 | 0 | 0 | 110.8 | K199 T206 V207 | K199-D203 WeakPolarHBondContact O-CB 3.43Å; K199-D203 VanDerWaalsContact O-CG 3.24Å; K199-D203 PolarHBondContact O-N 3.46Å; D203-T206 PolarHBondContact O-N 3.43Å; D203-V207 WeakPolarHBondContact O-CG2 3.43Å; D203-V207 PolarHBondContact O-N 3.27Å; D203-V207 VanDerWaalsContact O-N 3.12Å |
| 204 | K | 91.4 | Very high | 91.3 | Very high | 141 Ų | 141 | 108.9 Ų | 108.9 | 61% | 0.613 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 176.4 | -75.1 | 175.5 | -173.9 | 177 | 0 | 112.6 | E200 L201 D202 T206 V207 V208 | E200-K204 VanDerWaalsContact O-CG 3.28Å; E200-K204 WeakPolarHBondContact O-CG 3.34Å; E200-K204 PolarHBondContact O-N 3.36Å; E200-K204 VanDerWaalsContact O-N 3.16Å; L201-K204 PolarHBondContact O-N 2.93Å; D202-K204 PolarHBondContact O-N 2.96Å; K204-T206 VanDerWaalsContact C-N 3.31Å; K204-T206 PolarHBondContact O-N 3.11Å; K204-V207 PolarHBondContact O-N 3.32Å; K204-V208 WeakPolarHBondContact O-CG2 3.41Å; K204-V208 PolarHBondContact O-N 3.44Å |
| 205 | L | 92.9 | Very high | 90.8 | Very high | 98 Ų | 98 | 106.9 Ų | 106.9 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -40 | 179.3 | -175 | 66.2 | 0 | 0 | 0 | 110.7 | L201 D202 V208 L209 | L201-L205 VanDerWaalsContact O-CB 3.29Å; L201-L205 WeakPolarHBondContact O-CB 3.47Å; L201-L205 PolarHBondContact O-N 2.86Å; D202-L205 PolarHBondContact O-N 3.31Å; L205-V208 PolarHBondContact O-N 2.88Å; L205-L209 HydrophobicContact CD1-CD1 4.44Å; L205-L209 HydrophobicContact CD2-CD1 4.46Å; L205-L209 HydrophobicContact CG-CD1 3.92Å; L205-L209 HydrophobicContact CG-CG 4.43Å; L205-L209 WeakPolarHBondContact O-CB 3.34Å; L205-L209 WeakPolarHBondContact O-CG 3.45Å; L205-L209 PolarHBondContact O-N 2.84Å |
| 206 | T | 90.7 | Very high | 90.3 | Very high | 92 Ų | 92 | 109.4 Ų | 109.4 | 56% | 0.564 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.5 | -44.7 | 174.9 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | D202 D203 K204 L209 S210 | D202-T206 VanDerWaalsContact O-CB 3.32Å; D202-T206 WeakPolarHBondContact O-CB 3.27Å; D202-T206 PolarHBondContact O-N 2.9Å; D202-T206 PolarHBondContact O-OG1 2.93Å; D203-T206 PolarHBondContact O-N 3.43Å; K204-T206 VanDerWaalsContact C-N 3.31Å; K204-T206 PolarHBondContact O-N 3.11Å; T206-L209 PolarHBondContact O-N 3.45Å; T206-S210 WeakPolarHBondContact O-CB 3.27Å; T206-S210 PolarHBondContact O-N 2.83Å; T206-S210 PolarHBondContact O-OG 2.86Å |
| 207 | V | 89.3 | Confident | 89.6 | Confident | 95 Ų | 95 | 110.7 Ų | 110.7 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.9 | -47.9 | 175 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | D203 K204 L209 S210 F211 | D203-V207 WeakPolarHBondContact O-CG2 3.43Å; D203-V207 PolarHBondContact O-N 3.27Å; D203-V207 VanDerWaalsContact O-N 3.12Å; K204-V207 PolarHBondContact O-N 3.32Å; V207-L209 PolarHBondContact O-N 2.97Å; V207-S210 PolarHBondContact O-N 2.88Å; V207-S210 PolarHBondContact O-OG 3.44Å; V207-F211 PolarHBondContact O-N 3.43Å |
| 208 | V | 89.5 | Confident | 88.9 | Confident | 72 Ų | 72 | 109.1 Ų | 109.1 | 44% | 0.436 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 179.3 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | K204 L205 S210 F211 F212 | K204-V208 WeakPolarHBondContact O-CG2 3.41Å; K204-V208 PolarHBondContact O-N 3.44Å; L205-V208 PolarHBondContact O-N 2.88Å; V208-S210 PolarHBondContact O-N 3.16Å; V208-F211 WeakPolarHBondContact O-CB 3.47Å; V208-F211 PolarHBondContact O-N 3.36Å; V208-F212 HydrophobicContact CG1-CD2 3.63Å; V208-F212 HydrophobicContact CG1-CE2 3.68Å; V208-F212 WeakPolarHBondContact O-CD2 3.38Å; V208-F212 PolarHBondContact O-N 2.91Å |
| 209 | L | 89.5 | Confident | 88.1 | Confident | 92 Ų | 92 | 110.9 Ų | 110.9 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 177.1 | -76 | 166.9 | 0 | 0 | 0 | 111.8 | L205 T206 V207 F211 F212 L213 | L205-L209 HydrophobicContact CD1-CD1 4.44Å; L205-L209 HydrophobicContact CD2-CD1 4.46Å; L205-L209 HydrophobicContact CG-CD1 3.92Å; L205-L209 HydrophobicContact CG-CG 4.43Å; L205-L209 WeakPolarHBondContact O-CB 3.34Å; L205-L209 WeakPolarHBondContact O-CG 3.45Å; L205-L209 PolarHBondContact O-N 2.84Å; T206-L209 PolarHBondContact O-N 3.45Å; V207-L209 PolarHBondContact O-N 2.97Å; L209-F211 VanDerWaalsContact C-N 3.28Å; L209-F211 PolarHBondContact O-N 3.28Å; L209-F212 PolarHBondContact O-N 2.99Å; L209-L213 WeakPolarHBondContact O-CB 3.33Å; L209-L213 VanDerWaalsContact O-CG 3.32Å; L209-L213 WeakPolarHBondContact O-CG 3.26Å; L209-L213 PolarHBondContact O-N 3.06Å |
| 210 | S | 88.5 | Confident | 87.3 | Confident | 66 Ų | 66 | 108.4 Ų | 108.4 | 46% | 0.462 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 175.8 | 76 | 0 | 0 | 0 | 0 | 111.8 | T206 V207 V208 F214 | T206-S210 WeakPolarHBondContact O-CB 3.27Å; T206-S210 PolarHBondContact O-N 2.83Å; T206-S210 PolarHBondContact O-OG 2.86Å; V207-S210 PolarHBondContact O-N 2.88Å; V207-S210 PolarHBondContact O-OG 3.44Å; V208-S210 PolarHBondContact O-N 3.16Å; S210-F214 WeakPolarHBondContact O-CB 3.34Å; S210-F214 PolarHBondContact O-N 3.22Å |
| 211 | F | 88.7 | Confident | 86.3 | Confident | 131 Ų | 131 | 106 Ų | 106 | 58% | 0.575 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.3 | -48.4 | 175.6 | -153.4 | -105.8 | 0 | 0 | 0 | 111 | V207 V208 L209 L213 F214 F215 | V207-F211 PolarHBondContact O-N 3.43Å; V208-F211 WeakPolarHBondContact O-CB 3.47Å; V208-F211 PolarHBondContact O-N 3.36Å; L209-F211 VanDerWaalsContact C-N 3.28Å; L209-F211 PolarHBondContact O-N 3.28Å; F211-L213 PolarHBondContact O-N 3.48Å; F211-F214 WeakPolarHBondContact O-CB 3.43Å; F211-F214 PolarHBondContact O-N 3.49Å; F211-F215 AromaticContact CD1-CD2 3.7Å; F211-F215 HydrophobicContact CD1-CD2 3.7Å; F211-F215 AromaticContact CD1-CE2 3.55Å; F211-F215 HydrophobicContact CD1-CE2 3.55Å; F211-F215 HydrophobicContact CD2-CE2 4.47Å; F211-F215 AromaticContact CE1-CD2 3.79Å; F211-F215 HydrophobicContact CE1-CD2 3.79Å; F211-F215 AromaticContact CE1-CE2 3.13Å; F211-F215 HydrophobicContact CE1-CE2 3.13Å; F211-F215 AromaticContact CE1-CZ 3.98Å; F211-F215 HydrophobicContact CE1-CZ 3.98Å; F211-F215 HydrophobicContact CE2-CE2 4.11Å; F211-F215 HydrophobicContact CG-CD2 4.3Å; F211-F215 HydrophobicContact CG-CE2 4.22Å; F211-F215 HydrophobicContact CZ-CD2 4.4Å; F211-F215 AromaticContact CZ-CE2 3.45Å; F211-F215 HydrophobicContact CZ-CE2 3.45Å; F211-F215 VanDerWaalsContact CZ-CE2 3.45Å; F211-F215 HydrophobicContact CZ-CZ 4.17Å; F211-F215 VanDerWaalsContact O-CD2 3.32Å; F211-F215 WeakPolarHBondContact O-CD2 3.32Å; F211-F215 PolarHBondContact O-N 2.9Å |
| 212 | F | 87.5 | Confident | 85.3 | Confident | 136 Ų | 136 | 103.9 Ų | 103.9 | 60% | 0.596 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | 176.8 | -91.5 | -76.1 | 0 | 0 | 0 | 113.2 | V208 L209 F215 K216 | V208-F212 HydrophobicContact CG1-CD2 3.63Å; V208-F212 HydrophobicContact CG1-CE2 3.68Å; V208-F212 WeakPolarHBondContact O-CD2 3.38Å; V208-F212 PolarHBondContact O-N 2.91Å; L209-F212 PolarHBondContact O-N 2.99Å; F212-F215 PolarHBondContact O-N 3.34Å; F212-K216 PolarHBondContact O-N 2.95Å |
| 213 | L | 86.9 | Confident | 84.2 | Confident | 98 Ų | 98 | 106.6 Ų | 106.6 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 174.9 | -73.4 | 170.3 | 0 | 0 | 0 | 110.6 | L209 F211 F215 K216 F217 | L209-L213 WeakPolarHBondContact O-CB 3.33Å; L209-L213 VanDerWaalsContact O-CG 3.32Å; L209-L213 WeakPolarHBondContact O-CG 3.26Å; L209-L213 PolarHBondContact O-N 3.06Å; F211-L213 PolarHBondContact O-N 3.48Å; L213-F215 PolarHBondContact O-N 3.34Å; L213-K216 PolarHBondContact O-N 3.31Å; L213-F217 WeakPolarHBondContact O-CD2 3.39Å; L213-F217 PolarHBondContact O-N 3.5Å |
| 214 | F | 87 | Confident | 82.7 | Confident | 128 Ų | 128 | 109 Ų | 109 | 56% | 0.561 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -57.3 | -45.1 | 176 | -175.6 | -100.6 | 0 | 0 | 0 | 112.5 | S210 F211 F217 L218 | S210-F214 WeakPolarHBondContact O-CB 3.34Å; S210-F214 PolarHBondContact O-N 3.22Å; F211-F214 WeakPolarHBondContact O-CB 3.43Å; F211-F214 PolarHBondContact O-N 3.49Å; F214-F217 PolarHBondContact O-N 2.87Å; F214-L218 HydrophobicContact CD1-CD1 3.69Å; F214-L218 HydrophobicContact CE1-CD1 3.28Å; F214-L218 HydrophobicContact CE1-CG 4.34Å; F214-L218 HydrophobicContact CZ-CD1 3.85Å; F214-L218 PolarHBondContact O-N 3.49Å |
| 215 | F | 85.1 | Confident | 81.1 | Confident | 110 Ų | 110 | 111.6 Ų | 111.6 | 48% | 0.482 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.4 | -40.8 | 175.6 | -88.5 | -85.5 | 0 | 0 | 0 | 113 | F211 F212 L213 F217 L218 F219 | F211-F215 AromaticContact CD1-CD2 3.7Å; F211-F215 HydrophobicContact CD1-CD2 3.7Å; F211-F215 AromaticContact CD1-CE2 3.55Å; F211-F215 HydrophobicContact CD1-CE2 3.55Å; F211-F215 HydrophobicContact CD2-CE2 4.47Å; F211-F215 AromaticContact CE1-CD2 3.79Å; F211-F215 HydrophobicContact CE1-CD2 3.79Å; F211-F215 AromaticContact CE1-CE2 3.13Å; F211-F215 HydrophobicContact CE1-CE2 3.13Å; F211-F215 AromaticContact CE1-CZ 3.98Å; F211-F215 HydrophobicContact CE1-CZ 3.98Å; F211-F215 HydrophobicContact CE2-CE2 4.11Å; F211-F215 HydrophobicContact CG-CD2 4.3Å; F211-F215 HydrophobicContact CG-CE2 4.22Å; F211-F215 HydrophobicContact CZ-CD2 4.4Å; F211-F215 AromaticContact CZ-CE2 3.45Å; F211-F215 HydrophobicContact CZ-CE2 3.45Å; F211-F215 VanDerWaalsContact CZ-CE2 3.45Å; F211-F215 HydrophobicContact CZ-CZ 4.17Å; F211-F215 VanDerWaalsContact O-CD2 3.32Å; F211-F215 WeakPolarHBondContact O-CD2 3.32Å; F211-F215 PolarHBondContact O-N 2.9Å; F212-F215 PolarHBondContact O-N 3.34Å; L213-F215 PolarHBondContact O-N 3.34Å; F215-F217 VanDerWaalsContact C-N 3.33Å; F215-F217 PolarHBondContact O-N 2.95Å; F215-L218 PolarHBondContact O-N 3.11Å; F215-F219 WeakPolarHBondContact O-CB 3.42Å; F215-F219 PolarHBondContact O-N 2.84Å |
| 216 | K | 84.4 | Confident | 79.1 | Confident | 150 Ų | 150 | 115.7 Ų | 115.7 | 65% | 0.652 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.4 | -43.4 | 173.4 | -90.5 | -174.4 | 170.9 | -178.8 | 0 | 111.7 | F212 L213 F219 V220 | F212-K216 PolarHBondContact O-N 2.95Å; L213-K216 PolarHBondContact O-N 3.31Å; K216-F219 PolarHBondContact O-N 3.38Å; K216-V220 WeakPolarHBondContact O-CG2 3.34Å; K216-V220 PolarHBondContact O-N 2.85Å |
| 217 | F | 81.4 | Confident | 78.5 | Confident | 160 Ų | 160 | 116.9 Ų | 116.9 | 70% | 0.702 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.3 | -42.1 | 177.5 | -87.2 | -73.7 | 0 | 0 | 0 | 112.5 | L213 F214 F215 F219 G221 | L213-F217 WeakPolarHBondContact O-CD2 3.39Å; L213-F217 PolarHBondContact O-N 3.5Å; F214-F217 PolarHBondContact O-N 2.87Å; F215-F217 VanDerWaalsContact C-N 3.33Å; F215-F217 PolarHBondContact O-N 2.95Å; F217-F219 PolarHBondContact O-N 3.16Å; F217-G221 PolarHBondContact O-N 3.39Å |
| 218 | L | 80.3 | Confident | 78 | Confident | 96 Ų | 96 | 118 Ų | 118 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.7 | -42.7 | 173.7 | -84.9 | 162.1 | 0 | 0 | 0 | 112.3 | F214 F215 G221 A222 | F214-L218 HydrophobicContact CD1-CD1 3.69Å; F214-L218 HydrophobicContact CE1-CD1 3.28Å; F214-L218 HydrophobicContact CE1-CG 4.34Å; F214-L218 HydrophobicContact CZ-CD1 3.85Å; F214-L218 PolarHBondContact O-N 3.49Å; F215-L218 PolarHBondContact O-N 3.11Å; L218-G221 PolarHBondContact O-N 3.39Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 2.93Å |
| 219 | F | 77 | Confident | 77.3 | Confident | 145 Ų | 145 | 120.6 Ų | 120.6 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.7 | -43.4 | -177.7 | -142.9 | -96.1 | 0 | 0 | 0 | 112.3 | F215 K216 F217 G221 A222 F223 | F215-F219 WeakPolarHBondContact O-CB 3.42Å; F215-F219 PolarHBondContact O-N 2.84Å; K216-F219 PolarHBondContact O-N 3.38Å; F217-F219 PolarHBondContact O-N 3.16Å; F219-G221 VanDerWaalsContact C-N 3.34Å; F219-A222 PolarHBondContact O-N 2.89Å; F219-F223 AromaticContact CD1-CD2 3.95Å; F219-F223 HydrophobicContact CD1-CD2 3.95Å; F219-F223 AromaticContact CD1-CE2 3.97Å; F219-F223 HydrophobicContact CD1-CE2 3.97Å; F219-F223 AromaticContact CE1-CD2 3.96Å; F219-F223 HydrophobicContact CE1-CD2 3.96Å; F219-F223 AromaticContact CE1-CE2 3.48Å; F219-F223 HydrophobicContact CE1-CE2 3.48Å; F219-F223 VanDerWaalsContact CE1-CE2 3.48Å; F219-F223 HydrophobicContact CZ-CE2 4.22Å; F219-F223 PolarHBondContact O-N 3.49Å; F219-F223 VanDerWaalsContact O-N 3.11Å |
| 220 | V | 75.6 | Confident | 76.6 | Confident | 90 Ų | 90 | 122.2 Ų | 122.2 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.9 | -39 | 174.9 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | K216 F223 L224 | K216-V220 WeakPolarHBondContact O-CG2 3.34Å; K216-V220 PolarHBondContact O-N 2.85Å; V220-F223 PolarHBondContact O-N 3.04Å; V220-L224 HydrophobicContact CG1-CD1 4.11Å; V220-L224 PolarHBondContact O-N 3.45Å |
| 221 | G | 71.1 | Confident | 75.9 | Confident | 39 Ų | 39 | 125.8 Ų | 125.8 | 40% | 0.402 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.7 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | F217 L218 F219 | F217-G221 PolarHBondContact O-N 3.39Å; L218-G221 PolarHBondContact O-N 3.39Å; F219-G221 VanDerWaalsContact C-N 3.34Å |
| 222 | A | 72.8 | Confident | 75 | Confident | 59 Ų | 59 | 125.4 Ų | 125.4 | 49% | 0.488 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.2 | -36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L218 F219 F225 | L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 2.93Å; F219-A222 PolarHBondContact O-N 2.89Å; A222-F225 PolarHBondContact O-N 3.43Å |
| 223 | F | 68.2 | Low | 74.1 | Confident | 145 Ų | 145 | 124.6 Ų | 124.6 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.5 | -26 | 178.2 | -99.1 | -87.1 | 0 | 0 | 0 | 114.1 | F219 V220 F225 | F219-F223 AromaticContact CD1-CD2 3.95Å; F219-F223 HydrophobicContact CD1-CD2 3.95Å; F219-F223 AromaticContact CD1-CE2 3.97Å; F219-F223 HydrophobicContact CD1-CE2 3.97Å; F219-F223 AromaticContact CE1-CD2 3.96Å; F219-F223 HydrophobicContact CE1-CD2 3.96Å; F219-F223 AromaticContact CE1-CE2 3.48Å; F219-F223 HydrophobicContact CE1-CE2 3.48Å; F219-F223 VanDerWaalsContact CE1-CE2 3.48Å; F219-F223 HydrophobicContact CZ-CE2 4.22Å; F219-F223 PolarHBondContact O-N 3.49Å; F219-F223 VanDerWaalsContact O-N 3.11Å; V220-F223 PolarHBondContact O-N 3.04Å; F223-F225 PolarHBondContact O-N 3.15Å |
| 224 | L | 59.9 | Low | 73.1 | Confident | 145 Ų | 145 | 126.7 Ų | 126.7 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -8.2 | 174.6 | -81.1 | 160.9 | 0 | 0 | 0 | 113.3 | V220 | V220-L224 HydrophobicContact CG1-CD1 4.11Å; V220-L224 PolarHBondContact O-N 3.45Å |
| 225 | F | 56 | Low | 72 | Confident | 197 Ų | 197 | 126.6 Ų | 126.6 | 86% | 0.864 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 3.1 | -178.8 | -129.1 | -89.3 | 0 | 0 | 0 | 113.9 | A222 F223 | A222-F225 PolarHBondContact O-N 3.43Å; F223-F225 PolarHBondContact O-N 3.15Å |
| 226 | V | 51.8 | Low | 70.8 | Confident | 183 Ų | 183 | 128.1 Ų | 128.1 | 100% | 1.109 | 66% | 0.663 | S | S | * | * | trans | -109 | 0 | 172.9 | -179.4 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 226 of 226 residues in 135 ms
(Link to these results)