| 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 | 39.2 | Very low | 54 | Low | 243 Ų | 243 | 124 Ų | 124 | 100% | 1.197 | 70% | 0.703 | S | S | * | * | 0 | 106.1 | 0 | -78 | 178.9 | 173.3 | 0 | 0 | 108.3 | |||||
| 2 | A | 45.4 | Very low | 55.8 | Low | 106 Ų | 106 | 116.8 Ų | 116.8 | 88% | 0.876 | 68% | 0.677 | S | S | * | * | trans | -94.8 | 116.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3 | Q | 50.3 | Low | 57.3 | Low | 171 Ų | 171 | 122.1 Ų | 122.1 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | trans | -80.5 | 122.6 | 178.2 | -77.5 | 176.6 | -20.8 | 0 | 0 | 110.4 | K5 | Q3-K5 PolarHBondContact O-N 3.31Š| ||
| 4 | Y | 49.4 | Very low | 58.5 | Low | 195 Ų | 195 | 116.6 Ų | 116.6 | 77% | 0.765 | 66% | 0.657 | S | S | * | * | trans | -69.7 | 109.1 | 173.7 | -177.1 | -102.5 | 0 | 0 | 0 | 110.3 | ||||
| 5 | K | 52.5 | Low | 59.8 | Low | 186 Ų | 186 | 118.3 Ų | 118.3 | 81% | 0.809 | 66% | 0.66 | S | S | * | * | trans | -100 | 23.1 | 178.5 | -71.2 | -171.8 | 175.4 | -178.3 | 0 | 113.6 | Q3 | Q3-K5 PolarHBondContact O-N 3.31Š| ||
| 6 | G | 54.5 | Low | 61.2 | Low | 22 Ų | 22 | 120.3 Ų | 120.3 | 23% | 0.227 | 66% | 0.662 | C | S | . | * | trans | -77.9 | -27 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116 | A8 S9 E10 | G6-A8 PolarHBondContact O-N 3.45Å; G6-S9 PolarHBondContact O-N 3.48Å; G6-E10 PolarHBondContact O-N 3.33Å | ||
| 7 | A | 57 | Low | 62.6 | Low | 74 Ų | 74 | 118.5 Ų | 118.5 | 61% | 0.612 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.7 | -30.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A11 | A7-A11 PolarHBondContact O-N 3.43Å |
| 8 | A | 59.3 | Low | 63.7 | Low | 85 Ų | 85 | 118.6 Ų | 118.6 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.6 | -31.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G6 | G6-A8 PolarHBondContact O-N 3.45Å |
| 9 | S | 59.2 | Low | 65.1 | Low | 96 Ų | 96 | 119.4 Ų | 119.4 | 67% | 0.671 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.7 | -37.8 | 180 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | G6 G12 R13 | G6-S9 PolarHBondContact O-N 3.48Å; S9-G12 PolarHBondContact O-N 3.01Å; S9-R13 PolarHBondContact O-N 2.94Å |
| 10 | E | 60.6 | Low | 66.2 | Low | 128 Ų | 128 | 119.9 Ų | 119.9 | 60% | 0.598 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.4 | -33.6 | 175.5 | -74.5 | -174.8 | 141.4 | 0 | 0 | 112.8 | G6 G12 R13 A14 | G6-E10 PolarHBondContact O-N 3.33Å; E10-G12 PolarHBondContact O-N 3.48Å; E10-R13 PolarHBondContact O-N 3.34Å; E10-A14 WeakPolarHBondContact O-CB 3.47Å; E10-A14 PolarHBondContact O-N 3.04Å |
| 11 | A | 67 | Low | 67.3 | Low | 58 Ų | 58 | 121.2 Ų | 121.2 | 48% | 0.479 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -62.8 | -40.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A7 A14 M15 | A7-A11 PolarHBondContact O-N 3.43Å; A11-A14 PolarHBondContact O-N 3.35Å; A11-M15 PolarHBondContact O-N 3.36Å |
| 12 | G | 75.4 | Confident | 69.7 | Low | 38 Ų | 38 | 116 Ų | 116 | 39% | 0.392 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.3 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S9 E10 A14 M15 Q16 | S9-G12 PolarHBondContact O-N 3.01Å; E10-G12 PolarHBondContact O-N 3.48Å; G12-A14 PolarHBondContact O-N 3.48Å; G12-M15 PolarHBondContact O-N 3.5Å; G12-Q16 PolarHBondContact O-N 3.42Å |
| 13 | R | 74.8 | Confident | 71.8 | Confident | 185 Ų | 185 | 116.8 Ų | 116.8 | 70% | 0.698 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.4 | -40 | 175.9 | -170.2 | 177 | 179.3 | 180 | 0 | 112 | S9 E10 Q16 L17 | S9-R13 PolarHBondContact O-N 2.94Å; E10-R13 PolarHBondContact O-N 3.34Å; R13-Q16 PolarHBondContact O-N 3.37Å; R13-L17 HydrophobicContact CG-CD1 4.44Å; R13-L17 WeakPolarHBondContact O-CG 3.37Å; R13-L17 PolarHBondContact O-N 3.49Å; R13-L17 VanDerWaalsContact O-N 3.09Å |
| 14 | A | 74.6 | Confident | 73.5 | Confident | 45 Ų | 45 | 113.1 Ų | 113.1 | 37% | 0.372 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.6 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | E10 A11 G12 Q16 L17 M18 | E10-A14 WeakPolarHBondContact O-CB 3.47Å; E10-A14 PolarHBondContact O-N 3.04Å; A11-A14 PolarHBondContact O-N 3.35Å; G12-A14 PolarHBondContact O-N 3.48Å; A14-Q16 PolarHBondContact O-N 3.47Å; A14-L17 PolarHBondContact O-N 3.04Å; A14-M18 WeakPolarHBondContact O-CG 3.44Å; A14-M18 PolarHBondContact O-N 3.24Å |
| 15 | M | 78.7 | Confident | 75.5 | Confident | 143 Ų | 143 | 113.1 Ų | 113.1 | 70% | 0.704 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.4 | -40.5 | 177.1 | -170 | -172.3 | -73.8 | 0 | 0 | 111.9 | A11 G12 L17 M18 K19 | A11-M15 PolarHBondContact O-N 3.36Å; G12-M15 PolarHBondContact O-N 3.5Å; M15-L17 PolarHBondContact O-N 3.09Å; M15-M18 PolarHBondContact O-N 2.91Å; M15-K19 WeakPolarHBondContact O-CB 3.5Å; M15-K19 PolarHBondContact O-N 3.3Å |
| 16 | Q | 80.9 | Confident | 77.4 | Confident | 149 Ų | 149 | 109.4 Ų | 109.4 | 70% | 0.696 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.9 | -35.9 | 179.3 | -151.8 | 160.2 | 8.4 | 0 | 0 | 112.2 | G12 R13 A14 K20 | G12-Q16 PolarHBondContact O-N 3.42Å; R13-Q16 PolarHBondContact O-N 3.37Å; A14-Q16 PolarHBondContact O-N 3.47Å; Q16-K20 WeakPolarHBondContact O-CB 3.28Å; Q16-K20 PolarHBondContact O-N 3.21Å |
| 17 | L | 85.3 | Confident | 79.1 | Confident | 91 Ų | 91 | 114 Ų | 114 | 48% | 0.476 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.6 | -30.9 | 172.6 | -71.9 | 170.6 | 0 | 0 | 0 | 113.2 | R13 A14 M15 R21 | R13-L17 HydrophobicContact CG-CD1 4.44Å; R13-L17 WeakPolarHBondContact O-CG 3.37Å; R13-L17 PolarHBondContact O-N 3.49Å; R13-L17 VanDerWaalsContact O-N 3.09Å; A14-L17 PolarHBondContact O-N 3.04Å; M15-L17 PolarHBondContact O-N 3.09Å; L17-R21 PolarHBondContact O-N 3.42Å; L17-R21 PolarHBondContact O-NE 3Å |
| 18 | M | 82.6 | Confident | 80.7 | Confident | 120 Ų | 120 | 116.1 Ų | 116.1 | 59% | 0.591 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.1 | -46.5 | 171.6 | -71.4 | -159.1 | -153.6 | 0 | 0 | 111.3 | A14 M15 K20 R21 E22 | A14-M18 WeakPolarHBondContact O-CG 3.44Å; A14-M18 PolarHBondContact O-N 3.24Å; M15-M18 PolarHBondContact O-N 2.91Å; M18-K20 VanDerWaalsContact C-N 3.26Å; M18-K20 PolarHBondContact O-N 3.44Å; M18-R21 PolarHBondContact O-N 3.11Å; M18-R21 VanDerWaalsContact O-N 3.11Å; M18-E22 PolarHBondContact O-N 3.19Å |
| 19 | K | 90.1 | Very high | 82.2 | Confident | 134 Ų | 134 | 117.9 Ų | 117.9 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.8 | -34.9 | 177.4 | -168.9 | 171.6 | -173.7 | 172.7 | 0 | 112.5 | M15 K23 | M15-K19 WeakPolarHBondContact O-CB 3.5Å; M15-K19 PolarHBondContact O-N 3.3Å; K19-K23 PolarHBondContact O-N 2.92Å; K19-K23 VanDerWaalsContact O-N 3.16Å |
| 20 | K | 87.9 | Confident | 83.8 | Confident | 128 Ų | 128 | 118 Ų | 118 | 56% | 0.557 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67 | -44.6 | 173.8 | -168.8 | 176.1 | 178.4 | -177.6 | 0 | 112 | Q16 M18 E22 K23 E24 | Q16-K20 WeakPolarHBondContact O-CB 3.28Å; Q16-K20 PolarHBondContact O-N 3.21Å; M18-K20 VanDerWaalsContact C-N 3.26Å; M18-K20 PolarHBondContact O-N 3.44Å; K20-E22 VanDerWaalsContact C-N 3.31Å; K20-E22 PolarHBondContact O-N 3Å; K20-K23 PolarHBondContact O-N 3.23Å; K20-E24 VanDerWaalsContact CE-OE1 3.28Å; K20-E24 WeakPolarHBondContact CE-OE1 3.48Å; K20-E24 WeakPolarHBondContact O-CG 3.43Å; K20-E24 PolarHBondContact O-N 3.02Å |
| 21 | R | 89.4 | Confident | 85 | Confident | 149 Ų | 149 | 116.7 Ų | 116.7 | 56% | 0.562 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.2 | -35.9 | 175.6 | -82.8 | -178 | -86.6 | 163.9 | -11.7 | 113 | L17 M18 R25 | L17-R21 PolarHBondContact O-N 3.42Å; L17-R21 PolarHBondContact O-NE 3Å; M18-R21 PolarHBondContact O-N 3.11Å; M18-R21 VanDerWaalsContact O-N 3.11Å; R21-R25 WeakPolarHBondContact O-CG 3.41Å; R21-R25 PolarHBondContact O-N 3.16Å |
| 22 | E | 88.4 | Confident | 86.3 | Confident | 134 Ų | 134 | 121.7 Ų | 121.7 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.5 | -47.1 | 176.9 | -170.8 | 172.3 | -150.9 | 0 | 0 | 111.5 | M18 K20 E24 R25 E26 | M18-E22 PolarHBondContact O-N 3.19Å; K20-E22 VanDerWaalsContact C-N 3.31Å; K20-E22 PolarHBondContact O-N 3Å; E22-E24 VanDerWaalsContact C-N 3.33Å; E22-E24 PolarHBondContact O-N 3.41Å; E22-R25 PolarHBondContact O-N 3.38Å; E22-E26 PolarHBondContact O-N 3.27Å |
| 23 | K | 90.4 | Very high | 86.9 | Confident | 122 Ų | 122 | 125.3 Ų | 125.3 | 53% | 0.53 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60 | -41.1 | 173.7 | -77 | -173.1 | 174.4 | -169.6 | 0 | 112.9 | K19 K20 E26 Q27 | K19-K23 PolarHBondContact O-N 2.92Å; K19-K23 VanDerWaalsContact O-N 3.16Å; K20-K23 PolarHBondContact O-N 3.23Å; K23-E26 PolarHBondContact O-N 3.04Å; K23-Q27 WeakPolarHBondContact O-CB 3.43Å; K23-Q27 VanDerWaalsContact O-CG 3.3Å; K23-Q27 WeakPolarHBondContact O-CG 3.4Å; K23-Q27 PolarHBondContact O-N 2.9Å |
| 24 | E | 86.4 | Confident | 87.6 | Confident | 93 Ų | 93 | 123 Ų | 123 | 44% | 0.435 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.5 | -37.6 | 177 | -75.1 | 170.9 | -171.8 | 0 | 0 | 111.8 | K20 E22 L28 | K20-E24 VanDerWaalsContact CE-OE1 3.28Å; K20-E24 WeakPolarHBondContact CE-OE1 3.48Å; K20-E24 WeakPolarHBondContact O-CG 3.43Å; K20-E24 PolarHBondContact O-N 3.02Å; E22-E24 VanDerWaalsContact C-N 3.33Å; E22-E24 PolarHBondContact O-N 3.41Å; E24-L28 WeakPolarHBondContact O-CB 3.34Å; E24-L28 PolarHBondContact O-N 3.39Å |
| 25 | R | 89.9 | Confident | 88.1 | Confident | 196 Ų | 196 | 125.5 Ų | 125.5 | 74% | 0.74 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.7 | -43.6 | 173 | -78.2 | -176.7 | 96.6 | -161.2 | 7.2 | 112.1 | R21 E22 L28 E29 | R21-R25 WeakPolarHBondContact O-CG 3.41Å; R21-R25 PolarHBondContact O-N 3.16Å; E22-R25 PolarHBondContact O-N 3.38Å; R25-L28 PolarHBondContact O-N 2.93Å; R25-E29 WeakPolarHBondContact O-CB 3.3Å; R25-E29 PolarHBondContact O-N 2.9Å |
| 26 | E | 92.6 | Very high | 88.3 | Confident | 108 Ų | 108 | 121.3 Ų | 121.3 | 51% | 0.505 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.3 | -42.6 | 179.1 | -169 | -179.7 | -175.5 | 0 | 0 | 111.3 | E22 K23 L28 E29 Q30 | E22-E26 PolarHBondContact O-N 3.27Å; K23-E26 PolarHBondContact O-N 3.04Å; E26-L28 PolarHBondContact O-N 3.28Å; E26-E29 PolarHBondContact O-N 3.48Å; E26-Q30 WeakPolarHBondContact O-CG 3.47Å; E26-Q30 PolarHBondContact O-N 3.45Å |
| 27 | Q | 90.2 | Very high | 88.3 | Confident | 118 Ų | 118 | 120.1 Ų | 120.1 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.1 | -41.3 | 174.4 | -73.8 | 178.2 | -4.1 | 0 | 0 | 112.3 | K23 E29 Q30 L31 | K23-Q27 WeakPolarHBondContact O-CB 3.43Å; K23-Q27 VanDerWaalsContact O-CG 3.3Å; K23-Q27 WeakPolarHBondContact O-CG 3.4Å; K23-Q27 PolarHBondContact O-N 2.9Å; Q27-E29 VanDerWaalsContact C-N 3.34Å; Q27-Q30 PolarHBondContact O-N 2.95Å; Q27-L31 WeakPolarHBondContact O-CB 3.3Å; Q27-L31 PolarHBondContact O-N 3.39Å |
| 28 | L | 90.8 | Very high | 87.9 | Confident | 118 Ų | 118 | 120.5 Ų | 120.5 | 62% | 0.618 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.9 | -38.7 | 175.1 | -90.8 | 165.7 | 0 | 0 | 0 | 112.3 | E24 R25 E26 L31 K32 | E24-L28 WeakPolarHBondContact O-CB 3.34Å; E24-L28 PolarHBondContact O-N 3.39Å; R25-L28 PolarHBondContact O-N 2.93Å; E26-L28 PolarHBondContact O-N 3.28Å; L28-L31 PolarHBondContact O-N 2.9Å; L28-K32 VanDerWaalsContact O-CB 3.3Å; L28-K32 WeakPolarHBondContact O-CB 3.46Å; L28-K32 PolarHBondContact O-N 2.93Å |
| 29 | E | 91 | Very high | 87.6 | Confident | 123 Ų | 123 | 119.4 Ų | 119.4 | 58% | 0.575 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.4 | -41.9 | 177.9 | -170.2 | 163.6 | -159.1 | 0 | 0 | 111.6 | R25 E26 Q27 K32 Q33 | R25-E29 WeakPolarHBondContact O-CB 3.3Å; R25-E29 PolarHBondContact O-N 2.9Å; E26-E29 PolarHBondContact O-N 3.48Å; Q27-E29 VanDerWaalsContact C-N 3.34Å; E29-K32 PolarHBondContact O-N 2.95Å; E29-Q33 PolarHBondContact O-N 3.3Å |
| 30 | Q | 92.2 | Very high | 86.7 | Confident | 98 Ų | 98 | 119 Ų | 119 | 46% | 0.458 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.2 | -42.2 | 173.4 | -71 | 176.4 | 9.5 | 0 | 0 | 112.3 | E26 Q27 Q33 K34 | E26-Q30 WeakPolarHBondContact O-CG 3.47Å; E26-Q30 PolarHBondContact O-N 3.45Å; Q27-Q30 PolarHBondContact O-N 2.95Å; Q30-Q33 PolarHBondContact O-N 3.49Å; Q30-K34 PolarHBondContact O-N 3.28Å |
| 31 | L | 87.3 | Confident | 85.6 | Confident | 101 Ų | 101 | 116.9 Ų | 116.9 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.9 | -42 | 174.2 | -89 | 154.9 | 0 | 0 | 0 | 111.5 | Q27 L28 K34 I35 | Q27-L31 WeakPolarHBondContact O-CB 3.3Å; Q27-L31 PolarHBondContact O-N 3.39Å; L28-L31 PolarHBondContact O-N 2.9Å; L31-K34 PolarHBondContact O-N 3.49Å; L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.41Å; L31-I35 PolarHBondContact O-N 3.02Å |
| 32 | K | 93.1 | Very high | 84.5 | Confident | 163 Ų | 163 | 116.5 Ų | 116.5 | 71% | 0.709 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.4 | -40.4 | 177.1 | -171.6 | -179 | 178.3 | -174 | 0 | 111.8 | L28 E29 I35 A36 | L28-K32 VanDerWaalsContact O-CB 3.3Å; L28-K32 WeakPolarHBondContact O-CB 3.46Å; L28-K32 PolarHBondContact O-N 2.93Å; E29-K32 PolarHBondContact O-N 2.95Å; K32-I35 PolarHBondContact O-N 3.48Å; K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 3.42Å |
| 33 | Q | 89.3 | Confident | 83.3 | Confident | 113 Ų | 113 | 113.3 Ų | 113.3 | 53% | 0.528 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.6 | -47.3 | 174.1 | -78.4 | -178.5 | -1.6 | 0 | 0 | 111.6 | E29 Q30 I35 A36 E37 | E29-Q33 PolarHBondContact O-N 3.3Å; Q30-Q33 PolarHBondContact O-N 3.49Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 3.01Å; Q33-A36 WeakPolarHBondContact O-CB 3.42Å; Q33-A36 PolarHBondContact O-N 3.09Å; Q33-A36 VanDerWaalsContact O-N 3.09Å; Q33-E37 WeakPolarHBondContact O-CG 3.4Å; Q33-E37 PolarHBondContact O-N 2.95Å |
| 34 | K | 88.6 | Confident | 81.9 | Confident | 136 Ų | 136 | 110.8 Ų | 110.8 | 59% | 0.591 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -58 | -43.4 | 175.7 | -77.2 | -177.1 | 178.5 | 179.9 | 0 | 112.8 | Q30 L31 A36 E37 D38 | Q30-K34 PolarHBondContact O-N 3.28Å; L31-K34 PolarHBondContact O-N 3.49Å; K34-A36 VanDerWaalsContact C-N 3.3Å; K34-A36 PolarHBondContact O-N 3.09Å; K34-E37 PolarHBondContact O-N 3.37Å; K34-D38 WeakPolarHBondContact O-CB 3.46Å; K34-D38 PolarHBondContact O-N 3.37Å |
| 35 | I | 84.4 | Confident | 80.8 | Confident | 98 Ų | 98 | 110.3 Ų | 110.3 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.8 | -35.5 | 177.2 | -68.5 | 165.7 | 0 | 0 | 0 | 111.6 | L31 K32 Q33 N39 | L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.41Å; L31-I35 PolarHBondContact O-N 3.02Å; K32-I35 PolarHBondContact O-N 3.48Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 3.01Å; I35-N39 WeakPolarHBondContact O-CB 3.38Å; I35-N39 PolarHBondContact O-N 3.37Å; I35-N39 VanDerWaalsContact O-N 3.09Å; I35-N39 PolarHBondContact O-ND2 3.04Å |
| 36 | A | 83.7 | Confident | 79.3 | Confident | 55 Ų | 55 | 106.8 Ų | 106.8 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.4 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K32 Q33 K34 N39 M40 | K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 3.42Å; Q33-A36 WeakPolarHBondContact O-CB 3.42Å; Q33-A36 PolarHBondContact O-N 3.09Å; Q33-A36 VanDerWaalsContact O-N 3.09Å; K34-A36 VanDerWaalsContact C-N 3.3Å; K34-A36 PolarHBondContact O-N 3.09Å; A36-N39 PolarHBondContact O-N 3Å; A36-M40 PolarHBondContact O-N 3.5Å |
| 37 | E | 81 | Confident | 77.8 | Confident | 124 Ų | 124 | 108.6 Ų | 108.6 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.5 | -47.8 | 175.2 | -72.4 | 177.8 | 176.4 | 0 | 0 | 111.5 | Q33 K34 N39 M40 V41 | Q33-E37 WeakPolarHBondContact O-CG 3.4Å; Q33-E37 PolarHBondContact O-N 2.95Å; K34-E37 PolarHBondContact O-N 3.37Å; E37-N39 VanDerWaalsContact C-N 3.32Å; E37-N39 PolarHBondContact O-N 3.34Å; E37-M40 PolarHBondContact O-N 3.44Å; E37-M40 VanDerWaalsContact O-N 3.17Å; E37-V41 WeakPolarHBondContact O-CG2 3.37Å; E37-V41 PolarHBondContact O-N 3.05Å |
| 38 | D | 75.8 | Confident | 76.5 | Confident | 100 Ų | 100 | 109.7 Ų | 109.7 | 54% | 0.535 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 178 | -79.5 | -12.6 | 0 | 0 | 0 | 112.3 | K34 V41 K42 | K34-D38 WeakPolarHBondContact O-CB 3.46Å; K34-D38 PolarHBondContact O-N 3.37Å; D38-V41 PolarHBondContact O-N 3.22Å; D38-K42 WeakPolarHBondContact O-CG 3.26Å; D38-K42 PolarHBondContact O-N 2.97Å |
| 39 | N | 76.3 | Confident | 74.8 | Confident | 96 Ų | 96 | 111.8 Ų | 111.8 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.5 | -37.8 | 175.1 | -85.8 | -51.2 | 0 | 0 | 0 | 112.5 | I35 A36 E37 V41 K42 S43 | I35-N39 WeakPolarHBondContact O-CB 3.38Å; I35-N39 PolarHBondContact O-N 3.37Å; I35-N39 VanDerWaalsContact O-N 3.09Å; I35-N39 PolarHBondContact O-ND2 3.04Å; A36-N39 PolarHBondContact O-N 3Å; E37-N39 VanDerWaalsContact C-N 3.32Å; E37-N39 PolarHBondContact O-N 3.34Å; N39-V41 VanDerWaalsContact C-N 3.35Å; N39-K42 PolarHBondContact O-N 2.91Å; N39-S43 WeakPolarHBondContact O-CB 3.48Å; N39-S43 PolarHBondContact O-N 2.97Å; N39-S43 PolarHBondContact O-OG 3.39Å |
| 40 | M | 71.1 | Confident | 73.2 | Confident | 126 Ų | 126 | 109.9 Ų | 109.9 | 62% | 0.621 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.4 | -41 | 172.8 | -83.8 | -171.9 | 67 | 0 | 0 | 111.7 | A36 E37 S43 N44 | A36-M40 PolarHBondContact O-N 3.5Å; E37-M40 PolarHBondContact O-N 3.44Å; E37-M40 VanDerWaalsContact O-N 3.17Å; M40-S43 PolarHBondContact O-OG 3.42Å; M40-N44 WeakPolarHBondContact O-CB 3.46Å; M40-N44 PolarHBondContact O-N 2.95Å; M40-N44 PolarHBondContact O-ND2 2.93Å; M40-N44 VanDerWaalsContact O-ND2 3.13Å |
| 41 | V | 66.7 | Low | 71.6 | Confident | 84 Ų | 84 | 108.2 Ų | 108.2 | 51% | 0.509 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.5 | -43.7 | 176.7 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | E37 D38 N39 N44 I45 | E37-V41 WeakPolarHBondContact O-CG2 3.37Å; E37-V41 PolarHBondContact O-N 3.05Å; D38-V41 PolarHBondContact O-N 3.22Å; N39-V41 VanDerWaalsContact C-N 3.35Å; V41-N44 PolarHBondContact O-N 3.03Å; V41-I45 WeakPolarHBondContact O-CG1 3.49Å |
| 42 | K | 65.1 | Low | 70.2 | Confident | 140 Ų | 140 | 107.7 Ų | 107.7 | 61% | 0.609 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.5 | -44.6 | 177 | -74.9 | 175.8 | -177.8 | 178.1 | 0 | 112.8 | D38 N39 N44 I45 | D38-K42 WeakPolarHBondContact O-CG 3.26Å; D38-K42 PolarHBondContact O-N 2.97Å; N39-K42 PolarHBondContact O-N 2.91Å; K42-N44 PolarHBondContact O-N 3.29Å; K42-I45 PolarHBondContact O-N 3.48Å; K42-I45 VanDerWaalsContact O-N 3.17Å |
| 43 | S | 63.9 | Low | 68.6 | Low | 68 Ų | 68 | 107.9 Ų | 107.9 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.7 | -18.2 | 177.4 | 68.5 | 0 | 0 | 0 | 0 | 114.4 | N39 M40 | N39-S43 WeakPolarHBondContact O-CB 3.48Å; N39-S43 PolarHBondContact O-N 2.97Å; N39-S43 PolarHBondContact O-OG 3.39Å; M40-S43 PolarHBondContact O-OG 3.42Å |
| 44 | N | 60.6 | Low | 67.6 | Low | 69 Ų | 69 | 107.8 Ų | 107.8 | 37% | 0.369 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -85.6 | -9.3 | 175.5 | -84.7 | -38.5 | 0 | 0 | 0 | 113.6 | M40 V41 K42 K48 | M40-N44 WeakPolarHBondContact O-CB 3.46Å; M40-N44 PolarHBondContact O-N 2.95Å; M40-N44 PolarHBondContact O-ND2 2.93Å; M40-N44 VanDerWaalsContact O-ND2 3.13Å; V41-N44 PolarHBondContact O-N 3.03Å; K42-N44 PolarHBondContact O-N 3.29Å; N44-K48 WeakPolarHBondContact O-CD 3.31Å; N44-K48 WeakPolarHBondContact O-CG 3.47Å; N44-K48 PolarHBondContact O-N 3.47Å |
| 45 | I | 63.3 | Low | 66.6 | Low | 82 Ų | 82 | 103.9 Ų | 103.9 | 42% | 0.421 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.2 | -46.5 | -179.9 | -64.6 | 171.6 | 0 | 0 | 0 | 110 | V41 K42 K47 K48 F49 | V41-I45 WeakPolarHBondContact O-CG1 3.49Å; K42-I45 PolarHBondContact O-N 3.48Å; K42-I45 VanDerWaalsContact O-N 3.17Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.32Å; I45-K48 PolarHBondContact O-N 2.92Å; I45-F49 HydrophobicContact CG2-CE2 3.96Å; I45-F49 WeakPolarHBondContact O-CD2 3.26Å |
| 46 | D | 58.8 | Low | 65.9 | Low | 122 Ų | 122 | 100.6 Ų | 100.6 | 65% | 0.652 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -38.7 | 179.1 | -67.3 | -46.6 | 0 | 0 | 0 | 112.4 | K48 S50 | D46-K48 VanDerWaalsContact C-N 3.34Å; D46-K48 PolarHBondContact O-N 3.36Å; D46-S50 PolarHBondContact O-OG 3.38Å |
| 47 | K | 61.7 | Low | 65.5 | Low | 147 Ų | 147 | 101.1 Ų | 101.1 | 64% | 0.639 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.2 | -23.7 | 178.7 | -69.3 | -177.2 | -179.4 | 177 | 0 | 114 | I45 F49 A51 | I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.32Å; K47-F49 VanDerWaalsContact C-N 3.32Å; K47-F49 PolarHBondContact O-N 3.45Å; K47-A51 VanDerWaalsContact O-CB 3.25Å; K47-A51 WeakPolarHBondContact O-CB 3.42Å; K47-A51 PolarHBondContact O-N 2.91Å |
| 48 | K | 61.1 | Low | 65.4 | Low | 140 Ų | 140 | 97.7 Ų | 97.7 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.4 | -29.3 | 179.3 | -82.7 | 169.4 | -175.3 | -178.8 | 0 | 112.7 | N44 I45 D46 | N44-K48 WeakPolarHBondContact O-CD 3.31Å; N44-K48 WeakPolarHBondContact O-CG 3.47Å; N44-K48 PolarHBondContact O-N 3.47Å; I45-K48 PolarHBondContact O-N 2.92Å; D46-K48 VanDerWaalsContact C-N 3.34Å; D46-K48 PolarHBondContact O-N 3.36Å |
| 49 | F | 55.3 | Low | 65.4 | Low | 162 Ų | 162 | 98 Ų | 98 | 71% | 0.711 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -88 | -38.2 | 179.5 | -64.8 | -75.3 | 0 | 0 | 0 | 112.2 | I45 K47 | I45-F49 HydrophobicContact CG2-CE2 3.96Å; I45-F49 WeakPolarHBondContact O-CD2 3.26Å; K47-F49 VanDerWaalsContact C-N 3.32Å; K47-F49 PolarHBondContact O-N 3.45Å |
| 50 | S | 58 | Low | 65.5 | Low | 84 Ų | 84 | 94.8 Ų | 94.8 | 59% | 0.587 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -75.5 | -38.7 | -178.6 | -46.8 | 0 | 0 | 0 | 0 | 113.7 | D46 H52 Y53 D54 | D46-S50 PolarHBondContact O-OG 3.38Å; S50-H52 PolarHBondContact O-N 2.89Å; S50-Y53 PolarHBondContact O-N 2.98Å; S50-D54 PolarHBondContact O-N 3.25Å |
| 51 | A | 59.1 | Low | 65.9 | Low | 63 Ų | 63 | 94.5 Ų | 94.5 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.3 | -20.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K47 A55 | K47-A51 VanDerWaalsContact O-CB 3.25Å; K47-A51 WeakPolarHBondContact O-CB 3.42Å; K47-A51 PolarHBondContact O-N 2.91Å; A51-A55 PolarHBondContact O-N 2.98Å |
| 52 | H | 58.4 | Low | 66.5 | Low | 90 Ų | 90 | 94.5 Ų | 94.5 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.7 | -40.3 | 179.3 | -169.4 | -74.1 | 0 | 0 | 0 | 112.1 | S50 R84 | S50-H52 PolarHBondContact O-N 2.89Å; H52-R84 PolarHBondContact CD2-NH2 3.43Å; H52-R84 PolarHBondContact CE1-NH1 3.35Å; H52-R84 VanDerWaalsContact CE1-NH1 3.28Å; H52-R84 PolarHBondContact ND1-NH1 2.94Å; H52-R84 PolarHBondContact NE2-NE 3.14Å; H52-R84 PolarHBondContact NE2-NH1 3.11Å; H52-R84 PolarHBondContact O-NH1 3.32Å |
| 53 | Y | 58.3 | Low | 67 | Low | 166 Ų | 166 | 90.2 Ų | 90.2 | 65% | 0.651 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -77.2 | -43.9 | -178.6 | -164.4 | -99 | 0 | 0 | 0 | 111.3 | S50 A55 V56 E57 | S50-Y53 PolarHBondContact O-N 2.98Å; Y53-A55 PolarHBondContact O-N 3.44Å; Y53-V56 PolarHBondContact O-N 2.9Å; Y53-E57 VanDerWaalsContact CE1-OE2 3.29Å; Y53-E57 WeakPolarHBondContact CE1-OE2 3.4Å; Y53-E57 WeakPolarHBondContact O-CB 3.44Å; Y53-E57 PolarHBondContact O-N 3.17Å |
| 54 | D | 67.9 | Low | 67.3 | Low | 111 Ų | 111 | 88.6 Ų | 88.6 | 59% | 0.594 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.4 | -36.9 | -173.7 | -155.6 | 19.6 | 0 | 0 | 0 | 112.9 | S50 A58 | S50-D54 PolarHBondContact O-N 3.25Å; D54-A58 VanDerWaalsContact O-CB 3.24Å; D54-A58 WeakPolarHBondContact O-CB 3.46Å; D54-A58 PolarHBondContact O-N 3Å |
| 55 | A | 68.6 | Low | 68.2 | Low | 55 Ų | 55 | 91.4 Ų | 91.4 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | A51 Y53 E59 | A51-A55 PolarHBondContact O-N 2.98Å; Y53-A55 PolarHBondContact O-N 3.44Å; A55-E59 PolarHBondContact O-N 2.9Å; A55-E59 VanDerWaalsContact O-N 3.16Å |
| 56 | V | 68.8 | Low | 69 | Low | 29 Ų | 29 | 90.3 Ų | 90.3 | 18% | 0.176 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -67.8 | -42.3 | 178 | 164.3 | 0 | 0 | 0 | 0 | 110.2 | Y53 E59 L60 L80 | Y53-V56 PolarHBondContact O-N 2.9Å; V56-E59 PolarHBondContact O-N 3.13Å; V56-L60 HydrophobicContact CG1-CD1 3.66Å; V56-L60 WeakPolarHBondContact O-CB 3.48Å; V56-L60 WeakPolarHBondContact O-CD1 3.35Å; V56-L60 WeakPolarHBondContact O-CG 3.5Å; V56-L60 PolarHBondContact O-N 3.03Å; V56-L80 HydrophobicContact CB-CD2 4.15Å; V56-L80 HydrophobicContact CG1-CD2 3.9Å; V56-L80 HydrophobicContact CG2-CD2 3.69Å |
| 57 | E | 75.1 | Confident | 70 | Confident | 65 Ų | 65 | 93.5 Ų | 93.5 | 30% | 0.304 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 179.8 | -161.8 | -175.9 | 168.7 | 0 | 0 | 111.8 | Y53 K61 | Y53-E57 VanDerWaalsContact CE1-OE2 3.29Å; Y53-E57 WeakPolarHBondContact CE1-OE2 3.4Å; Y53-E57 WeakPolarHBondContact O-CB 3.44Å; Y53-E57 PolarHBondContact O-N 3.17Å; E57-K61 HydrophobicContact CG-CD 4.18Å; E57-K61 VanDerWaalsContact O-CB 3.27Å; E57-K61 WeakPolarHBondContact O-CB 3.37Å; E57-K61 WeakPolarHBondContact O-CG 3.24Å; E57-K61 PolarHBondContact O-N 3.41Å; E57-K61 WeakPolarHBondContact OE1-CE 3.48Å; E57-K61 IonicContact OE1-NZ 3.09Å; E57-K61 PolarHBondContact OE1-NZ 3.37Å; E57-K61 IonicContact OE2-NZ 3.41Å |
| 58 | A | 78.9 | Confident | 71 | Confident | 53 Ų | 53 | 88.6 Ų | 88.6 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | D54 K61 S62 | D54-A58 VanDerWaalsContact O-CB 3.24Å; D54-A58 WeakPolarHBondContact O-CB 3.46Å; D54-A58 PolarHBondContact O-N 3Å; A58-K61 PolarHBondContact O-N 3.36Å; A58-S62 WeakPolarHBondContact O-CB 3.47Å; A58-S62 PolarHBondContact O-N 2.96Å; A58-S62 PolarHBondContact O-OG 3.42Å |
| 59 | E | 75.7 | Confident | 72.1 | Confident | 105 Ų | 105 | 85.6 Ų | 85.6 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -72.4 | -36.7 | 177.3 | -170.3 | 173.5 | -170.2 | 0 | 0 | 111.8 | A55 V56 S62 S63 L80 | A55-E59 PolarHBondContact O-N 2.9Å; A55-E59 VanDerWaalsContact O-N 3.16Å; V56-E59 PolarHBondContact O-N 3.13Å; E59-S62 WeakPolarHBondContact CA-OG 3.42Å; E59-S62 PolarHBondContact O-OG 3.4Å; E59-S63 VanDerWaalsContact O-CB 3.23Å; E59-S63 WeakPolarHBondContact O-CB 3.5Å; E59-S63 PolarHBondContact O-N 3.19Å; E59-S63 PolarHBondContact O-OG 3.29Å; E59-L80 HydrophobicContact CB-CD1 3.86Å; E59-L80 HydrophobicContact CG-CD1 3.58Å |
| 60 | L | 78.1 | Confident | 73.2 | Confident | 30 Ų | 30 | 84.2 Ų | 84.2 | 16% | 0.157 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -63.7 | -47 | 169.9 | -83.1 | 158.5 | 0 | 0 | 0 | 111.6 | V56 S62 S63 T64 Q77 L80 | V56-L60 HydrophobicContact CG1-CD1 3.66Å; V56-L60 WeakPolarHBondContact O-CB 3.48Å; V56-L60 WeakPolarHBondContact O-CD1 3.35Å; V56-L60 WeakPolarHBondContact O-CG 3.5Å; V56-L60 PolarHBondContact O-N 3.03Å; L60-S62 PolarHBondContact O-N 3Å; L60-S63 PolarHBondContact O-N 3.44Å; L60-S63 PolarHBondContact O-OG 3.22Å; L60-T64 VanDerWaalsContact O-CB 3.29Å; L60-T64 WeakPolarHBondContact O-CB 3.17Å; L60-T64 WeakPolarHBondContact O-CG2 3.42Å; L60-T64 PolarHBondContact O-N 3.18Å; L60-T64 PolarHBondContact O-OG1 3.04Å; L60-Q77 HydrophobicContact CD1-CG 4.38Å; L60-Q77 HydrophobicContact CD2-CB 4.17Å; L60-L80 HydrophobicContact CG-CD1 4.33Å |
| 61 | K | 80.6 | Confident | 74.5 | Confident | 120 Ų | 120 | 86 Ų | 86 | 52% | 0.522 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 179.4 | -78.8 | 170.2 | 180 | 165.4 | 0 | 112.6 | E57 A58 V65 | E57-K61 HydrophobicContact CG-CD 4.18Å; E57-K61 VanDerWaalsContact O-CB 3.27Å; E57-K61 WeakPolarHBondContact O-CB 3.37Å; E57-K61 WeakPolarHBondContact O-CG 3.24Å; E57-K61 PolarHBondContact O-N 3.41Å; E57-K61 WeakPolarHBondContact OE1-CE 3.48Å; E57-K61 IonicContact OE1-NZ 3.09Å; E57-K61 PolarHBondContact OE1-NZ 3.37Å; E57-K61 IonicContact OE2-NZ 3.41Å; A58-K61 PolarHBondContact O-N 3.36Å; K61-V65 VanDerWaalsContact O-CG2 3.29Å; K61-V65 WeakPolarHBondContact O-CG2 3.25Å |
| 62 | S | 80 | Confident | 75.6 | Confident | 83 Ų | 83 | 86.8 Ų | 86.8 | 58% | 0.58 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73 | -35.4 | 178.6 | 56 | 0 | 0 | 0 | 0 | 112.8 | A58 E59 L60 | A58-S62 WeakPolarHBondContact O-CB 3.47Å; A58-S62 PolarHBondContact O-N 2.96Å; A58-S62 PolarHBondContact O-OG 3.42Å; E59-S62 WeakPolarHBondContact CA-OG 3.42Å; E59-S62 PolarHBondContact O-OG 3.4Å; L60-S62 PolarHBondContact O-N 3Å |
| 63 | S | 74.1 | Confident | 76.7 | Confident | 51 Ų | 51 | 86.4 Ų | 86.4 | 36% | 0.357 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -81.8 | -9.6 | 179.6 | 67.9 | 0 | 0 | 0 | 0 | 114.8 | E59 L60 K76 | E59-S63 VanDerWaalsContact O-CB 3.23Å; E59-S63 WeakPolarHBondContact O-CB 3.5Å; E59-S63 PolarHBondContact O-N 3.19Å; E59-S63 PolarHBondContact O-OG 3.29Å; L60-S63 PolarHBondContact O-N 3.44Å; L60-S63 PolarHBondContact O-OG 3.22Å; S63-K76 PolarHBondContact O-NZ 3.09Å |
| 64 | T | 71.3 | Confident | 77.9 | Confident | 34 Ų | 34 | 85.3 Ų | 85.3 | 21% | 0.209 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 11.1 | -177.4 | 57 | 0 | 0 | 0 | 0 | 114.3 | L60 G66 M73 K76 | L60-T64 VanDerWaalsContact O-CB 3.29Å; L60-T64 WeakPolarHBondContact O-CB 3.17Å; L60-T64 WeakPolarHBondContact O-CG2 3.42Å; L60-T64 PolarHBondContact O-N 3.18Å; L60-T64 PolarHBondContact O-OG1 3.04Å; T64-G66 PolarHBondContact O-N 3.49Å; T64-G66 VanDerWaalsContact O-N 3.1Å; T64-M73 HydrophobicContact CG2-CG 4.2Å; T64-M73 HydrophobicContact CG2-SD 4.04Å; T64-K76 HydrophobicContact CG2-CD 4.45Å |
| 65 | V | 79.1 | Confident | 78.8 | Confident | 128 Ų | 128 | 82.8 Ų | 82.8 | 78% | 0.776 | 48% | 0.48 | S | S | * | . | trans | -70.5 | 106.6 | 174.9 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | K61 | K61-V65 VanDerWaalsContact O-CG2 3.29Å; K61-V65 WeakPolarHBondContact O-CG2 3.25Å | ||
| 66 | G | 79.8 | Confident | 79.5 | Confident | 58 Ų | 58 | 84.1 Ų | 84.1 | 60% | 0.598 | 48% | 0.475 | S | S | * | . | S | Bend | trans | 143.7 | -173.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T64 V68 | T64-G66 PolarHBondContact O-N 3.49Å; T64-G66 VanDerWaalsContact O-N 3.1Å; G66-V68 PolarHBondContact O-N 3.49Å; G66-V68 VanDerWaalsContact O-N 3.16Å |
| 67 | L | 79.9 | Confident | 80.1 | Confident | 189 Ų | 189 | 88 Ų | 88 | 99% | 0.99 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -76.8 | 100.6 | 172.1 | -172 | 69.3 | 0 | 0 | 0 | 108.9 | ||
| 68 | V | 81.9 | Confident | 80.5 | Confident | 44 Ų | 44 | 91.4 Ų | 91.4 | 27% | 0.267 | 51% | 0.507 | S | S | . | . | trans | -119.4 | 135.6 | -177.3 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | G66 D72 M73 | G66-V68 PolarHBondContact O-N 3.49Å; G66-V68 VanDerWaalsContact O-N 3.16Å; V68-D72 HydrophobicContact CG1-CB 3.55Å; V68-M73 HydrophobicContact CB-CG 4.43Å; V68-M73 HydrophobicContact CG1-CG 3.75Å | ||
| 69 | T | 85.1 | Confident | 80.9 | Confident | 77 Ų | 77 | 91.7 Ų | 91.7 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | trans | -76.5 | 156.4 | 177.3 | 74.5 | 0 | 0 | 0 | 0 | 110.8 | N71 D72 M73 | T69-N71 PolarHBondContact O-N 3.27Å; T69-D72 WeakPolarHBondContact CB-OD2 3.45Å; T69-D72 PolarHBondContact N-OD2 2.94Å; T69-D72 PolarHBondContact O-N 3.02Å; T69-D72 VanDerWaalsContact O-N 3.09Å; T69-D72 PolarHBondContact OG1-N 3.38Å; T69-D72 PolarHBondContact OG1-OD2 3.26Å; T69-M73 PolarHBondContact O-N 3.13Å; T69-M73 VanDerWaalsContact O-N 3.13Å | ||
| 70 | L | 79.1 | Confident | 81.1 | Confident | 133 Ų | 133 | 87.7 Ų | 87.7 | 70% | 0.696 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.6 | -30.6 | 178.5 | -72.3 | 174.6 | 0 | 0 | 0 | 112.9 | M73 K74 | L70-M73 HydrophobicContact CD2-CE 4.45Å; L70-K74 PolarHBondContact O-N 3.26Å |
| 71 | N | 84.8 | Confident | 81.3 | Confident | 121 Ų | 121 | 89.3 Ų | 89.3 | 65% | 0.647 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71 | -39.9 | 177.6 | -67.6 | -19.2 | 0 | 0 | 0 | 111.3 | T69 M73 K74 A75 | T69-N71 PolarHBondContact O-N 3.27Å; N71-M73 VanDerWaalsContact C-N 3.34Å; N71-M73 PolarHBondContact O-N 3.25Å; N71-K74 PolarHBondContact O-N 3.2Å; N71-A75 WeakPolarHBondContact O-CB 3.48Å; N71-A75 PolarHBondContact O-N 3.36Å |
| 72 | D | 82.8 | Confident | 81.5 | Confident | 80 Ų | 80 | 90.4 Ų | 90.4 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -35.8 | 177.8 | -58.9 | -35.8 | 0 | 0 | 0 | 111.8 | V68 T69 K76 | V68-D72 HydrophobicContact CG1-CB 3.55Å; T69-D72 WeakPolarHBondContact CB-OD2 3.45Å; T69-D72 PolarHBondContact N-OD2 2.94Å; T69-D72 PolarHBondContact O-N 3.02Å; T69-D72 VanDerWaalsContact O-N 3.09Å; T69-D72 PolarHBondContact OG1-N 3.38Å; T69-D72 PolarHBondContact OG1-OD2 3.26Å; D72-K76 WeakPolarHBondContact O-CB 3.29Å; D72-K76 WeakPolarHBondContact O-CG 3.35Å; D72-K76 PolarHBondContact O-N 3.17Å |
| 73 | M | 80.7 | Confident | 81.7 | Confident | 83 Ų | 83 | 92 Ų | 92 | 41% | 0.409 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 174.2 | -75.6 | -138.8 | -61.4 | 0 | 0 | 112.4 | T64 V68 T69 L70 N71 K76 Q77 | T64-M73 HydrophobicContact CG2-CG 4.2Å; T64-M73 HydrophobicContact CG2-SD 4.04Å; V68-M73 HydrophobicContact CB-CG 4.43Å; V68-M73 HydrophobicContact CG1-CG 3.75Å; T69-M73 PolarHBondContact O-N 3.13Å; T69-M73 VanDerWaalsContact O-N 3.13Å; L70-M73 HydrophobicContact CD2-CE 4.45Å; N71-M73 VanDerWaalsContact C-N 3.34Å; N71-M73 PolarHBondContact O-N 3.25Å; M73-K76 PolarHBondContact O-N 3.27Å; M73-Q77 WeakPolarHBondContact O-CB 3.38Å; M73-Q77 PolarHBondContact O-N 3.44Å |
| 74 | K | 84.1 | Confident | 81.8 | Confident | 143 Ų | 143 | 92.5 Ų | 92.5 | 62% | 0.622 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.3 | -44 | 176.9 | -75.1 | -177.8 | 178.1 | -176.9 | 0 | 111.8 | L70 N71 K76 Q77 E78 | L70-K74 PolarHBondContact O-N 3.26Å; N71-K74 PolarHBondContact O-N 3.2Å; K74-K76 VanDerWaalsContact C-N 3.34Å; K74-K76 PolarHBondContact O-N 3.18Å; K74-Q77 PolarHBondContact O-N 3.39Å; K74-E78 WeakPolarHBondContact O-CB 3.44Å; K74-E78 PolarHBondContact O-N 3.14Å |
| 75 | A | 86.6 | Confident | 82.2 | Confident | 58 Ų | 58 | 96.7 Ų | 96.7 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | N71 A79 | N71-A75 WeakPolarHBondContact O-CB 3.48Å; N71-A75 PolarHBondContact O-N 3.36Å; A75-A79 WeakPolarHBondContact O-CB 3.21Å; A75-A79 PolarHBondContact O-N 2.92Å |
| 76 | K | 82.8 | Confident | 82.5 | Confident | 83 Ų | 83 | 97.1 Ų | 97.1 | 36% | 0.361 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -41 | 175.6 | -76.4 | 179.7 | 176.7 | 179 | 0 | 112.5 | S63 T64 D72 M73 K74 L80 | S63-K76 PolarHBondContact O-NZ 3.09Å; T64-K76 HydrophobicContact CG2-CD 4.45Å; D72-K76 WeakPolarHBondContact O-CB 3.29Å; D72-K76 WeakPolarHBondContact O-CG 3.35Å; D72-K76 PolarHBondContact O-N 3.17Å; M73-K76 PolarHBondContact O-N 3.27Å; K74-K76 VanDerWaalsContact C-N 3.34Å; K74-K76 PolarHBondContact O-N 3.18Å; K76-L80 WeakPolarHBondContact O-CB 3.29Å; K76-L80 PolarHBondContact O-N 2.71Å; K76-L80 VanDerWaalsContact O-N 3.13Å |
| 77 | Q | 80.8 | Confident | 82.6 | Confident | 110 Ų | 110 | 100 Ų | 100 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 176.3 | -174.5 | 179.8 | 6.3 | 0 | 0 | 111.7 | L60 M73 K74 L80 V81 | L60-Q77 HydrophobicContact CD1-CG 4.38Å; L60-Q77 HydrophobicContact CD2-CB 4.17Å; M73-Q77 WeakPolarHBondContact O-CB 3.38Å; M73-Q77 PolarHBondContact O-N 3.44Å; K74-Q77 PolarHBondContact O-N 3.39Å; Q77-L80 PolarHBondContact O-N 3.14Å; Q77-V81 WeakPolarHBondContact O-CG2 3.46Å; Q77-V81 PolarHBondContact O-N 3.31Å; Q77-V81 VanDerWaalsContact O-N 3.12Å |
| 78 | E | 84.8 | Confident | 82.6 | Confident | 136 Ų | 136 | 95.4 Ų | 95.4 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 179.1 | -170.5 | -176.6 | 163 | 0 | 0 | 112 | K74 L80 V81 K82 | K74-E78 WeakPolarHBondContact O-CB 3.44Å; K74-E78 PolarHBondContact O-N 3.14Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 2.87Å; E78-V81 PolarHBondContact O-N 3.48Å; E78-K82 VanDerWaalsContact O-CB 3.32Å; E78-K82 WeakPolarHBondContact O-CB 3.27Å; E78-K82 PolarHBondContact O-N 3.01Å |
| 79 | A | 86.1 | Confident | 82.7 | Confident | 59 Ų | 59 | 95.4 Ų | 95.4 | 49% | 0.488 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.3 | -43.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A75 K82 E83 | A75-A79 WeakPolarHBondContact O-CB 3.21Å; A75-A79 PolarHBondContact O-N 2.92Å; A79-K82 PolarHBondContact O-N 3.47Å; A79-E83 WeakPolarHBondContact O-CB 3.36Å; A79-E83 PolarHBondContact O-N 2.99Å |
| 80 | L | 81.2 | Confident | 82.8 | Confident | 22 Ų | 22 | 97.9 Ų | 97.9 | 12% | 0.115 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -69.6 | -39 | -178.6 | -163.7 | 154.6 | 0 | 0 | 0 | 111.9 | V56 E59 L60 K76 Q77 E78 R84 | V56-L80 HydrophobicContact CB-CD2 4.15Å; V56-L80 HydrophobicContact CG1-CD2 3.9Å; V56-L80 HydrophobicContact CG2-CD2 3.69Å; E59-L80 HydrophobicContact CB-CD1 3.86Å; E59-L80 HydrophobicContact CG-CD1 3.58Å; L60-L80 HydrophobicContact CG-CD1 4.33Å; K76-L80 WeakPolarHBondContact O-CB 3.29Å; K76-L80 PolarHBondContact O-N 2.71Å; K76-L80 VanDerWaalsContact O-N 3.13Å; Q77-L80 PolarHBondContact O-N 3.14Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 2.87Å; L80-R84 WeakPolarHBondContact O-CB 3.08Å; L80-R84 PolarHBondContact O-N 2.99Å; L80-R84 VanDerWaalsContact O-N 3.14Å |
| 81 | V | 81.5 | Confident | 83 | Confident | 63 Ų | 63 | 97.6 Ų | 97.6 | 38% | 0.382 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 172.4 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | Q77 E78 E83 R84 E85 | Q77-V81 WeakPolarHBondContact O-CG2 3.46Å; Q77-V81 PolarHBondContact O-N 3.31Å; Q77-V81 VanDerWaalsContact O-N 3.12Å; E78-V81 PolarHBondContact O-N 3.48Å; V81-E83 PolarHBondContact O-N 3.01Å; V81-R84 WeakPolarHBondContact O-CB 3.29Å; V81-R84 PolarHBondContact O-N 3.22Å; V81-E85 HydrophobicContact CG1-CG 4.48Å; V81-E85 WeakPolarHBondContact O-CG 3.19Å; V81-E85 PolarHBondContact O-N 3.49Å |
| 82 | K | 86 | Confident | 82.9 | Confident | 143 Ų | 143 | 98.6 Ų | 98.6 | 62% | 0.622 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.5 | -39.6 | -178.9 | -171.9 | 174.5 | -173.9 | 170.9 | 0 | 113.2 | E78 A79 R84 K86 | E78-K82 VanDerWaalsContact O-CB 3.32Å; E78-K82 WeakPolarHBondContact O-CB 3.27Å; E78-K82 PolarHBondContact O-N 3.01Å; A79-K82 PolarHBondContact O-N 3.47Å; K82-R84 VanDerWaalsContact C-N 3.32Å; K82-K86 WeakPolarHBondContact O-CB 3.29Å; K82-K86 PolarHBondContact O-N 2.65Å; K82-K86 VanDerWaalsContact O-N 3.08Å |
| 83 | E | 83.8 | Confident | 83 | Confident | 116 Ų | 116 | 100.7 Ų | 100.7 | 54% | 0.542 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 175.3 | -177.3 | 167.2 | -170.3 | 0 | 0 | 111.2 | A79 V81 K86 Q87 | A79-E83 WeakPolarHBondContact O-CB 3.36Å; A79-E83 PolarHBondContact O-N 2.99Å; V81-E83 PolarHBondContact O-N 3.01Å; E83-K86 WeakPolarHBondContact O-CB 3.23Å; E83-K86 PolarHBondContact O-N 3.31Å; E83-Q87 WeakPolarHBondContact O-CG 3.46Å; E83-Q87 PolarHBondContact O-N 3.39Å |
| 84 | R | 76.6 | Confident | 83.1 | Confident | 63 Ų | 63 | 99.3 Ų | 99.3 | 24% | 0.238 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | 177.8 | -170.2 | 175.1 | -168.8 | 165 | 6.5 | 112.7 | H52 L80 V81 K82 K86 Q87 L88 | H52-R84 PolarHBondContact CD2-NH2 3.43Å; H52-R84 PolarHBondContact CE1-NH1 3.35Å; H52-R84 VanDerWaalsContact CE1-NH1 3.28Å; H52-R84 PolarHBondContact ND1-NH1 2.94Å; H52-R84 PolarHBondContact NE2-NE 3.14Å; H52-R84 PolarHBondContact NE2-NH1 3.11Å; H52-R84 PolarHBondContact O-NH1 3.32Å; L80-R84 WeakPolarHBondContact O-CB 3.08Å; L80-R84 PolarHBondContact O-N 2.99Å; L80-R84 VanDerWaalsContact O-N 3.14Å; V81-R84 WeakPolarHBondContact O-CB 3.29Å; V81-R84 PolarHBondContact O-N 3.22Å; K82-R84 VanDerWaalsContact C-N 3.32Å; R84-K86 VanDerWaalsContact C-N 3.25Å; R84-K86 PolarHBondContact O-N 3.39Å; R84-Q87 PolarHBondContact O-N 2.98Å; R84-Q87 VanDerWaalsContact O-N 3.1Å; R84-L88 HydrophobicContact CG-CD1 4.44Å; R84-L88 WeakPolarHBondContact O-CG 3.45Å; R84-L88 PolarHBondContact O-N 2.84Å |
| 85 | E | 79.3 | Confident | 83.2 | Confident | 121 Ų | 121 | 98.6 Ų | 98.6 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -56.8 | -42.8 | 173.5 | -74.4 | 175.9 | 171.8 | 0 | 0 | 111 | V81 Q87 L88 A89 | V81-E85 HydrophobicContact CG1-CG 4.48Å; V81-E85 WeakPolarHBondContact O-CG 3.19Å; V81-E85 PolarHBondContact O-N 3.49Å; E85-Q87 PolarHBondContact O-N 3.49Å; E85-L88 PolarHBondContact O-N 3Å; E85-A89 WeakPolarHBondContact O-CB 3.21Å; E85-A89 PolarHBondContact O-N 3.06Å |
| 86 | K | 84.8 | Confident | 83.1 | Confident | 138 Ų | 138 | 100.6 Ų | 100.6 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.8 | -38.1 | 175.1 | -168.9 | 177.4 | -175.2 | 177.1 | 0 | 112.7 | K82 E83 R84 K90 | K82-K86 WeakPolarHBondContact O-CB 3.29Å; K82-K86 PolarHBondContact O-N 2.65Å; K82-K86 VanDerWaalsContact O-N 3.08Å; E83-K86 WeakPolarHBondContact O-CB 3.23Å; E83-K86 PolarHBondContact O-N 3.31Å; R84-K86 VanDerWaalsContact C-N 3.25Å; R84-K86 PolarHBondContact O-N 3.39Å; K86-K90 WeakPolarHBondContact O-CG 3.4Å; K86-K90 PolarHBondContact O-N 2.82Å; K86-K90 VanDerWaalsContact O-N 3.09Å |
| 87 | Q | 81 | Confident | 83.3 | Confident | 117 Ų | 117 | 102.2 Ų | 102.2 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.2 | -39.9 | 175.5 | -72 | -177.5 | 15.9 | 0 | 0 | 112.2 | E83 R84 E85 K90 K91 | E83-Q87 WeakPolarHBondContact O-CG 3.46Å; E83-Q87 PolarHBondContact O-N 3.39Å; R84-Q87 PolarHBondContact O-N 2.98Å; R84-Q87 VanDerWaalsContact O-N 3.1Å; E85-Q87 PolarHBondContact O-N 3.49Å; Q87-K90 PolarHBondContact O-N 3.24Å; Q87-K91 WeakPolarHBondContact O-CB 3.44Å; Q87-K91 PolarHBondContact O-N 2.94Å |
| 88 | L | 81.4 | Confident | 83.5 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 175.7 | -71.9 | 172.5 | 0 | 0 | 0 | 111.1 | R84 E85 K90 K91 E92 | R84-L88 HydrophobicContact CG-CD1 4.44Å; R84-L88 WeakPolarHBondContact O-CG 3.45Å; R84-L88 PolarHBondContact O-N 2.84Å; E85-L88 PolarHBondContact O-N 3Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.34Å; L88-K91 PolarHBondContact O-N 3.4Å; L88-K91 VanDerWaalsContact O-N 3.13Å; L88-E92 PolarHBondContact O-N 3.48Å |
| 89 | A | 84.4 | Confident | 83.5 | Confident | 44 Ų | 44 | 101.2 Ų | 101.2 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E85 K91 E92 Q93 | E85-A89 WeakPolarHBondContact O-CB 3.21Å; E85-A89 PolarHBondContact O-N 3.06Å; A89-K91 PolarHBondContact O-N 3.32Å; A89-E92 PolarHBondContact O-N 3.22Å; A89-Q93 WeakPolarHBondContact O-CG 3.35Å; A89-Q93 PolarHBondContact O-N 2.99Å |
| 90 | K | 87.2 | Confident | 83.6 | Confident | 128 Ų | 128 | 103.5 Ų | 103.5 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | 174.8 | -75.8 | 179.3 | 176.6 | -172.3 | 0 | 112.7 | K86 Q87 L88 E92 S94 | K86-K90 WeakPolarHBondContact O-CG 3.4Å; K86-K90 PolarHBondContact O-N 2.82Å; K86-K90 VanDerWaalsContact O-N 3.09Å; Q87-K90 PolarHBondContact O-N 3.24Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.34Å; K90-E92 VanDerWaalsContact C-N 3.31Å; K90-S94 WeakPolarHBondContact O-CB 3.49Å; K90-S94 PolarHBondContact O-N 3.28Å; K90-S94 PolarHBondContact O-OG 3.37Å |
| 91 | K | 83.1 | Confident | 84 | Confident | 127 Ų | 127 | 106.9 Ų | 106.9 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.3 | -34.1 | 177.8 | -168.8 | 173 | -176.3 | 173.9 | 0 | 111.9 | Q87 L88 A89 S94 K95 | Q87-K91 WeakPolarHBondContact O-CB 3.44Å; Q87-K91 PolarHBondContact O-N 2.94Å; L88-K91 PolarHBondContact O-N 3.4Å; L88-K91 VanDerWaalsContact O-N 3.13Å; A89-K91 PolarHBondContact O-N 3.32Å; K91-S94 WeakPolarHBondContact CA-OG 3.48Å; K91-S94 PolarHBondContact O-OG 2.6Å; K91-K95 VanDerWaalsContact O-CG 3.29Å; K91-K95 WeakPolarHBondContact O-CG 3.35Å; K91-K95 PolarHBondContact O-N 3.42Å |
| 92 | E | 81.9 | Confident | 84.2 | Confident | 143 Ų | 143 | 110.5 Ų | 110.5 | 67% | 0.668 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.9 | -48.3 | 175.3 | -171.7 | 167.1 | -160.4 | 0 | 0 | 111.6 | L88 A89 K90 S94 K95 E96 | L88-E92 PolarHBondContact O-N 3.48Å; A89-E92 PolarHBondContact O-N 3.22Å; K90-E92 VanDerWaalsContact C-N 3.31Å; E92-S94 VanDerWaalsContact C-N 3.34Å; E92-S94 PolarHBondContact O-N 3.44Å; E92-K95 WeakPolarHBondContact O-CB 3.41Å; E92-K95 PolarHBondContact O-N 3.06Å; E92-K95 VanDerWaalsContact O-N 3.15Å; E92-E96 PolarHBondContact O-N 3Å |
| 93 | Q | 85.4 | Confident | 84.2 | Confident | 123 Ų | 123 | 109.9 Ų | 109.9 | 58% | 0.575 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.3 | -43.4 | 176.1 | -72.9 | 177.3 | -3.5 | 0 | 0 | 112.4 | A89 E96 L97 | A89-Q93 WeakPolarHBondContact O-CG 3.35Å; A89-Q93 PolarHBondContact O-N 2.99Å; Q93-E96 PolarHBondContact O-N 3.47Å; Q93-L97 WeakPolarHBondContact O-CG 3.35Å; Q93-L97 PolarHBondContact O-N 3.16Å |
| 94 | S | 82.6 | Confident | 84.4 | Confident | 54 Ų | 54 | 109.9 Ų | 109.9 | 38% | 0.378 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -38.3 | 176.6 | 51.7 | 0 | 0 | 0 | 0 | 113.2 | K90 K91 E92 L97 Q98 | K90-S94 WeakPolarHBondContact O-CB 3.49Å; K90-S94 PolarHBondContact O-N 3.28Å; K90-S94 PolarHBondContact O-OG 3.37Å; K91-S94 WeakPolarHBondContact CA-OG 3.48Å; K91-S94 PolarHBondContact O-OG 2.6Å; E92-S94 VanDerWaalsContact C-N 3.34Å; E92-S94 PolarHBondContact O-N 3.44Å; S94-L97 PolarHBondContact O-N 3.49Å; S94-Q98 WeakPolarHBondContact O-CG 3.41Å; S94-Q98 PolarHBondContact O-N 3.2Å |
| 95 | K | 85.6 | Confident | 84.9 | Confident | 128 Ų | 128 | 113.4 Ų | 113.4 | 56% | 0.557 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -41.5 | 173.6 | -78.8 | 178 | 175.2 | -172 | 0 | 112 | K91 E92 L97 Q98 L99 | K91-K95 VanDerWaalsContact O-CG 3.29Å; K91-K95 WeakPolarHBondContact O-CG 3.35Å; K91-K95 PolarHBondContact O-N 3.42Å; E92-K95 WeakPolarHBondContact O-CB 3.41Å; E92-K95 PolarHBondContact O-N 3.06Å; E92-K95 VanDerWaalsContact O-N 3.15Å; K95-L97 VanDerWaalsContact C-N 3.35Å; K95-Q98 PolarHBondContact O-N 2.94Å; K95-L99 WeakPolarHBondContact O-CB 3.49Å; K95-L99 PolarHBondContact O-N 2.81Å |
| 96 | E | 84.6 | Confident | 85.4 | Confident | 100 Ų | 100 | 112.4 Ų | 112.4 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 177.5 | -163.7 | -166.6 | 151.5 | 0 | 0 | 111.4 | E92 Q93 L99 K100 | E92-E96 PolarHBondContact O-N 3Å; Q93-E96 PolarHBondContact O-N 3.47Å; E96-L99 PolarHBondContact O-N 2.9Å; E96-K100 WeakPolarHBondContact O-CG 3.42Å; E96-K100 PolarHBondContact O-N 3.3Å; E96-K100 WeakPolarHBondContact OE1-CE 3.44Å; E96-K100 IonicContact OE1-NZ 3.89Å; E96-K100 PolarHBondContact OE1-NZ 2.96Å |
| 97 | L | 87.5 | Confident | 85.4 | Confident | 118 Ų | 118 | 113.3 Ų | 113.3 | 62% | 0.618 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.7 | -42.5 | 174.7 | -74.7 | 168.2 | 0 | 0 | 0 | 112.3 | Q93 S94 K95 K100 L101 | Q93-L97 WeakPolarHBondContact O-CG 3.35Å; Q93-L97 PolarHBondContact O-N 3.16Å; S94-L97 PolarHBondContact O-N 3.49Å; K95-L97 VanDerWaalsContact C-N 3.35Å; L97-K100 PolarHBondContact O-N 2.88Å; L97-L101 PolarHBondContact O-N 2.97Å |
| 98 | Q | 83.6 | Confident | 85.8 | Confident | 133 Ų | 133 | 114.2 Ų | 114.2 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 175.8 | -77 | 178.9 | -2.1 | 0 | 0 | 111.9 | S94 K95 K100 L101 E102 | S94-Q98 WeakPolarHBondContact O-CG 3.41Å; S94-Q98 PolarHBondContact O-N 3.2Å; K95-Q98 PolarHBondContact O-N 2.94Å; Q98-K100 VanDerWaalsContact C-N 3.34Å; Q98-K100 PolarHBondContact O-N 3.42Å; Q98-L101 PolarHBondContact O-N 3.32Å; Q98-E102 PolarHBondContact O-N 3.4Å |
| 99 | L | 84.9 | Confident | 86.1 | Confident | 92 Ų | 92 | 117.9 Ų | 117.9 | 48% | 0.482 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67 | -35.4 | 179.9 | -165.7 | 137.4 | 0 | 0 | 0 | 112.1 | K95 E96 K103 | K95-L99 WeakPolarHBondContact O-CB 3.49Å; K95-L99 PolarHBondContact O-N 2.81Å; E96-L99 PolarHBondContact O-N 2.9Å; L99-K103 HydrophobicContact CD2-CD 4.11Å; L99-K103 WeakPolarHBondContact O-CG 3.34Å; L99-K103 PolarHBondContact O-N 3.13Å; L99-K103 VanDerWaalsContact O-N 3.14Å |
| 100 | K | 88.4 | Confident | 86 | Confident | 106 Ų | 106 | 121.4 Ų | 121.4 | 46% | 0.461 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.4 | -43.9 | 171.4 | -76.2 | 177.5 | -175.2 | 166.3 | 0 | 111.7 | E96 L97 Q98 E102 K103 Q104 | E96-K100 WeakPolarHBondContact O-CG 3.42Å; E96-K100 PolarHBondContact O-N 3.3Å; E96-K100 WeakPolarHBondContact OE1-CE 3.44Å; E96-K100 IonicContact OE1-NZ 3.89Å; E96-K100 PolarHBondContact OE1-NZ 2.96Å; L97-K100 PolarHBondContact O-N 2.88Å; Q98-K100 VanDerWaalsContact C-N 3.34Å; Q98-K100 PolarHBondContact O-N 3.42Å; K100-E102 VanDerWaalsContact C-N 3.35Å; K100-E102 PolarHBondContact O-N 3.18Å; K100-K103 PolarHBondContact O-N 2.92Å; K100-Q104 PolarHBondContact O-N 3.34Å; K100-Q104 VanDerWaalsContact O-N 3.11Å |
| 101 | L | 89.7 | Confident | 85.9 | Confident | 93 Ų | 93 | 120 Ų | 120 | 49% | 0.487 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.7 | -39.2 | 178.8 | -169.5 | 72.9 | 0 | 0 | 0 | 112 | L97 Q98 Q104 K105 | L97-L101 PolarHBondContact O-N 2.97Å; Q98-L101 PolarHBondContact O-N 3.32Å; L101-Q104 PolarHBondContact O-N 3.15Å; L101-K105 WeakPolarHBondContact O-CG 3.21Å; L101-K105 PolarHBondContact O-N 3.36Å |
| 102 | E | 87.1 | Confident | 86 | Confident | 139 Ų | 139 | 119.1 Ų | 119.1 | 65% | 0.65 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.5 | -44.4 | 177.7 | -168.7 | 170.1 | -162.7 | 0 | 0 | 111.9 | Q98 K100 Q104 K105 E106 | Q98-E102 PolarHBondContact O-N 3.4Å; K100-E102 VanDerWaalsContact C-N 3.35Å; K100-E102 PolarHBondContact O-N 3.18Å; E102-Q104 VanDerWaalsContact C-N 3.3Å; E102-Q104 PolarHBondContact O-N 3.48Å; E102-K105 PolarHBondContact O-N 3.1Å; E102-E106 PolarHBondContact O-N 2.98Å |
| 103 | K | 86.1 | Confident | 85.9 | Confident | 130 Ų | 130 | 117.2 Ų | 117.2 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.5 | -40 | 173.3 | -76.9 | 178.7 | 176.5 | 177.6 | 0 | 112.5 | L99 K100 E106 K107 | L99-K103 HydrophobicContact CD2-CD 4.11Å; L99-K103 WeakPolarHBondContact O-CG 3.34Å; L99-K103 PolarHBondContact O-N 3.13Å; L99-K103 VanDerWaalsContact O-N 3.14Å; K100-K103 PolarHBondContact O-N 2.92Å; K103-E106 PolarHBondContact O-N 2.8Å; K103-K107 WeakPolarHBondContact O-CG 3.33Å; K103-K107 PolarHBondContact O-N 3.39Å; K103-K107 VanDerWaalsContact O-N 3.14Å |
| 104 | Q | 86.2 | Confident | 85.6 | Confident | 117 Ų | 117 | 119.1 Ų | 119.1 | 55% | 0.547 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 176.5 | -74.2 | -176.2 | 2.3 | 0 | 0 | 112.3 | K100 L101 E102 E106 K107 K108 | K100-Q104 PolarHBondContact O-N 3.34Å; K100-Q104 VanDerWaalsContact O-N 3.11Å; L101-Q104 PolarHBondContact O-N 3.15Å; E102-Q104 VanDerWaalsContact C-N 3.3Å; E102-Q104 PolarHBondContact O-N 3.48Å; Q104-E106 VanDerWaalsContact C-N 3.34Å; Q104-E106 PolarHBondContact O-N 3.09Å; Q104-K107 PolarHBondContact O-N 3.12Å; Q104-K108 PolarHBondContact O-N 3.14Å; Q104-K108 VanDerWaalsContact O-N 3.09Å |
| 105 | K | 89.2 | Confident | 85.5 | Confident | 137 Ų | 137 | 124.8 Ų | 124.8 | 60% | 0.596 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.8 | -39.3 | 175.9 | -74 | 178.8 | 179.3 | -179.3 | 0 | 112.1 | L101 E102 K108 R109 | L101-K105 WeakPolarHBondContact O-CG 3.21Å; L101-K105 PolarHBondContact O-N 3.36Å; E102-K105 PolarHBondContact O-N 3.1Å; K105-K108 PolarHBondContact O-N 2.92Å; K105-R109 PolarHBondContact O-N 3.38Å |
| 106 | E | 87.8 | Confident | 85.2 | Confident | 100 Ų | 100 | 125.1 Ų | 125.1 | 47% | 0.467 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.5 | -42.7 | 177.2 | -163.4 | -166.4 | 149.3 | 0 | 0 | 111.9 | E102 K103 Q104 R109 K110 | E102-E106 PolarHBondContact O-N 2.98Å; K103-E106 PolarHBondContact O-N 2.8Å; Q104-E106 VanDerWaalsContact C-N 3.34Å; Q104-E106 PolarHBondContact O-N 3.09Å; E106-R109 PolarHBondContact O-N 2.96Å; E106-K110 PolarHBondContact O-N 2.99Å; E106-K110 WeakPolarHBondContact OE1-CE 3.44Å; E106-K110 IonicContact OE1-NZ 2.71Å; E106-K110 PolarHBondContact OE1-NZ 3.45Å |
| 107 | K | 86.8 | Confident | 84.7 | Confident | 156 Ų | 156 | 126.4 Ų | 126.4 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.7 | -47.6 | 174.2 | -75.2 | -175.7 | 176.6 | -169 | 0 | 111.7 | K103 Q104 R109 K110 E111 | K103-K107 WeakPolarHBondContact O-CG 3.33Å; K103-K107 PolarHBondContact O-N 3.39Å; K103-K107 VanDerWaalsContact O-N 3.14Å; Q104-K107 PolarHBondContact O-N 3.12Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.1Å; K107-K110 PolarHBondContact O-N 3.46Å; K107-E111 PolarHBondContact O-N 2.71Å |
| 108 | K | 88.8 | Confident | 83.9 | Confident | 136 Ų | 136 | 124.9 Ų | 124.9 | 59% | 0.591 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60 | -42 | 176.7 | -72.1 | -173.4 | 177.6 | -170.4 | 0 | 112.4 | Q104 K105 K110 E111 E112 | Q104-K108 PolarHBondContact O-N 3.14Å; Q104-K108 VanDerWaalsContact O-N 3.09Å; K105-K108 PolarHBondContact O-N 2.92Å; K108-K110 VanDerWaalsContact C-N 3.34Å; K108-K110 PolarHBondContact O-N 2.92Å; K108-E111 PolarHBondContact O-N 3.16Å; K108-E112 WeakPolarHBondContact O-CG 3.39Å; K108-E112 PolarHBondContact O-N 3.13Å |
| 109 | R | 86.3 | Confident | 83.2 | Confident | 171 Ų | 171 | 122.8 Ų | 122.8 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.7 | -39.6 | 177.2 | -123.5 | 178.4 | 73.3 | -172.4 | 2.9 | 112.6 | K105 E106 K107 Q113 | K105-R109 PolarHBondContact O-N 3.38Å; E106-R109 PolarHBondContact O-N 2.96Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.1Å; R109-Q113 WeakPolarHBondContact O-CB 3.32Å; R109-Q113 VanDerWaalsContact O-CG 3.31Å; R109-Q113 WeakPolarHBondContact O-CG 3.45Å; R109-Q113 PolarHBondContact O-N 3.2Å |
| 110 | K | 83.5 | Confident | 81.8 | Confident | 118 Ų | 118 | 124.8 Ų | 124.8 | 51% | 0.513 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.1 | -40.5 | 176.1 | -78.5 | 171.9 | 168.7 | 163.6 | 0 | 111.6 | E106 K107 K108 Q113 K114 | E106-K110 PolarHBondContact O-N 2.99Å; E106-K110 WeakPolarHBondContact OE1-CE 3.44Å; E106-K110 IonicContact OE1-NZ 2.71Å; E106-K110 PolarHBondContact OE1-NZ 3.45Å; K107-K110 PolarHBondContact O-N 3.46Å; K108-K110 VanDerWaalsContact C-N 3.34Å; K108-K110 PolarHBondContact O-N 2.92Å; K110-Q113 PolarHBondContact O-N 3.38Å; K110-K114 PolarHBondContact O-N 3.08Å |
| 111 | E | 85.9 | Confident | 79.9 | Confident | 98 Ų | 98 | 124.9 Ų | 124.9 | 46% | 0.458 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.8 | -44.2 | 176.9 | -161.9 | -170.2 | 152.5 | 0 | 0 | 112.1 | K107 K108 Q113 K114 R115 | K107-E111 PolarHBondContact O-N 2.71Å; K108-E111 PolarHBondContact O-N 3.16Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 2.95Å; E111-K114 PolarHBondContact O-N 3.04Å; E111-R115 PolarHBondContact O-N 2.89Å; E111-R115 IonicContact OE1-CZ 3.72Å; E111-R115 IonicContact OE1-NE 3.38Å; E111-R115 PolarHBondContact OE1-NE 3.18Å; E111-R115 IonicContact OE1-NH2 3.13Å; E111-R115 PolarHBondContact OE1-NH2 3.13Å; E111-R115 VanDerWaalsContact OE1-NH2 3.13Å |
| 112 | E | 84.3 | Confident | 77.7 | Confident | 109 Ų | 109 | 129.9 Ų | 129.9 | 51% | 0.509 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.8 | -37.4 | 174.8 | -75.8 | 179 | -172.4 | 0 | 0 | 112.6 | K108 R115 K116 | K108-E112 WeakPolarHBondContact O-CG 3.39Å; K108-E112 PolarHBondContact O-N 3.13Å; E112-R115 PolarHBondContact O-N 3.45Å; E112-K116 WeakPolarHBondContact O-CB 3.44Å; E112-K116 WeakPolarHBondContact O-CG 3.46Å; E112-K116 PolarHBondContact O-N 3.09Å |
| 113 | Q | 79.7 | Confident | 75.4 | Confident | 103 Ų | 103 | 130.1 Ų | 130.1 | 48% | 0.481 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.4 | -44.9 | 174.2 | -78.6 | 178.2 | -17.8 | 0 | 0 | 111.5 | R109 K110 E111 R115 K116 I117 | R109-Q113 WeakPolarHBondContact O-CB 3.32Å; R109-Q113 VanDerWaalsContact O-CG 3.31Å; R109-Q113 WeakPolarHBondContact O-CG 3.45Å; R109-Q113 PolarHBondContact O-N 3.2Å; K110-Q113 PolarHBondContact O-N 3.38Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 2.95Å; Q113-R115 PolarHBondContact O-N 3.42Å; Q113-K116 PolarHBondContact O-N 2.91Å; Q113-I117 WeakPolarHBondContact O-CD1 3.44Å; Q113-I117 VanDerWaalsContact O-CG1 3.26Å; Q113-I117 WeakPolarHBondContact O-CG1 3.32Å; Q113-I117 PolarHBondContact O-N 3.31Å |
| 114 | K | 79.4 | Confident | 73.7 | Confident | 164 Ų | 164 | 129 Ų | 129 | 71% | 0.713 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -59.1 | -45.3 | 174.2 | -78.3 | -170.6 | 173.1 | -166.4 | 0 | 111.6 | K110 E111 K116 I117 A118 | K110-K114 PolarHBondContact O-N 3.08Å; E111-K114 PolarHBondContact O-N 3.04Å; K114-K116 PolarHBondContact O-N 3.08Å; K114-I117 PolarHBondContact O-N 3.32Å; K114-A118 WeakPolarHBondContact O-CB 3.48Å; K114-A118 PolarHBondContact O-N 2.98Å |
| 115 | R | 81 | Confident | 71.5 | Confident | 173 Ų | 173 | 130.5 Ų | 130.5 | 65% | 0.653 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -62.6 | -40.4 | 176.8 | -72.9 | -177.4 | -176.1 | -118.5 | 3.7 | 112.6 | E111 E112 Q113 A118 S119 | E111-R115 PolarHBondContact O-N 2.89Å; E111-R115 IonicContact OE1-CZ 3.72Å; E111-R115 IonicContact OE1-NE 3.38Å; E111-R115 PolarHBondContact OE1-NE 3.18Å; E111-R115 IonicContact OE1-NH2 3.13Å; E111-R115 PolarHBondContact OE1-NH2 3.13Å; E111-R115 VanDerWaalsContact OE1-NH2 3.13Å; E112-R115 PolarHBondContact O-N 3.45Å; Q113-R115 PolarHBondContact O-N 3.42Å; R115-A118 PolarHBondContact O-N 3.42Å; R115-S119 WeakPolarHBondContact O-CB 3.32Å; R115-S119 PolarHBondContact O-N 3.47Å; R115-S119 PolarHBondContact O-OG 3.03Å |
| 116 | K | 78.4 | Confident | 69.1 | Low | 134 Ų | 134 | 132 Ų | 132 | 58% | 0.583 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.4 | -35.7 | 176.8 | -79.2 | 176.3 | 179.8 | 175.3 | 0 | 113.3 | E112 Q113 K114 S119 L120 | E112-K116 WeakPolarHBondContact O-CB 3.44Å; E112-K116 WeakPolarHBondContact O-CG 3.46Å; E112-K116 PolarHBondContact O-N 3.09Å; Q113-K116 PolarHBondContact O-N 2.91Å; K114-K116 PolarHBondContact O-N 3.08Å; K116-S119 WeakPolarHBondContact CA-OG 3.48Å; K116-S119 PolarHBondContact O-N 3.37Å; K116-S119 PolarHBondContact O-OG 2.97Å; K116-L120 WeakPolarHBondContact O-CG 3.04Å; K116-L120 PolarHBondContact O-N 3.38Å |
| 117 | I | 74.1 | Confident | 66.6 | Low | 127 Ų | 127 | 135.5 Ų | 135.5 | 65% | 0.651 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.3 | -43.7 | 174.1 | -67.2 | 163.4 | 0 | 0 | 0 | 109.5 | Q113 K114 S119 L120 | Q113-I117 WeakPolarHBondContact O-CD1 3.44Å; Q113-I117 VanDerWaalsContact O-CG1 3.26Å; Q113-I117 WeakPolarHBondContact O-CG1 3.32Å; Q113-I117 PolarHBondContact O-N 3.31Å; K114-I117 PolarHBondContact O-N 3.32Å; I117-S119 VanDerWaalsContact C-N 3.29Å; I117-S119 PolarHBondContact O-N 3.23Å; I117-L120 PolarHBondContact O-N 2.99Å |
| 118 | A | 70.3 | Confident | 64.5 | Low | 87 Ų | 87 | 136.9 Ų | 136.9 | 72% | 0.719 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -64.9 | -29.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K114 R115 L120 | K114-A118 WeakPolarHBondContact O-CB 3.48Å; K114-A118 PolarHBondContact O-N 2.98Å; R115-A118 PolarHBondContact O-N 3.42Å; A118-L120 VanDerWaalsContact C-N 3.33Å |
| 119 | S | 68.8 | Low | 61.8 | Low | 89 Ų | 89 | 139.8 Ų | 139.8 | 62% | 0.622 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -5.1 | 178.8 | 69.6 | 0 | 0 | 0 | 0 | 114.7 | R115 K116 I117 | R115-S119 WeakPolarHBondContact O-CB 3.32Å; R115-S119 PolarHBondContact O-N 3.47Å; R115-S119 PolarHBondContact O-OG 3.03Å; K116-S119 WeakPolarHBondContact CA-OG 3.48Å; K116-S119 PolarHBondContact O-N 3.37Å; K116-S119 PolarHBondContact O-OG 2.97Å; I117-S119 VanDerWaalsContact C-N 3.29Å; I117-S119 PolarHBondContact O-N 3.23Å |
| 120 | L | 57 | Low | 59.5 | Low | 134 Ų | 134 | 140.5 Ų | 140.5 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -98.5 | 91.2 | 176.2 | -71.9 | 170.2 | 0 | 0 | 0 | 109.1 | K116 I117 A118 F122 | K116-L120 WeakPolarHBondContact O-CG 3.04Å; K116-L120 PolarHBondContact O-N 3.38Å; I117-L120 PolarHBondContact O-N 2.99Å; A118-L120 VanDerWaalsContact C-N 3.33Å; L120-F122 PolarHBondContact O-N 2.95Å |
| 121 | S | 47.7 | Very low | 57 | Low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | trans | -69.7 | 92 | 178.1 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 122 | F | 43 | Very low | 54.6 | Low | 199 Ų | 199 | 145.1 Ų | 145.1 | 87% | 0.873 | 74% | 0.735 | S | S | * | * | trans | -160.2 | 88.3 | 157 | -109 | -78.7 | 0 | 0 | 0 | 109.8 | L120 | L120-F122 PolarHBondContact O-N 2.95Š| ||
| 123 | N | 39.3 | Very low | 52.1 | Low | 143 Ų | 143 | 147 Ų | 147 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | -178.9 | 119.1 | 113.5 | -151 | 38.2 | 0 | 0 | 0 | 109.1 | |||||
| 124 | P | 49.3 | Very low | 49.9 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -84 | 142.4 | 164.6 | 33.4 | -25.6 | 0 | 0 | 0 | 109.6 | ||||
| 125 | D | 40.1 | Very low | 47.8 | Very low | 147 Ų | 147 | 152.4 Ų | 152.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | 89.3 | 131.8 | 164.7 | -82.3 | -23.6 | 0 | 0 | 0 | 122.4 | ||||
| 126 | E | 40.6 | Very low | 45.9 | Very low | 169 Ų | 169 | 150 Ų | 150 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 73.5 | 117.6 | 163.7 | -69 | 174.7 | 175.4 | 0 | 0 | 116.5 | ||||
| 127 | E | 34 | Very low | 43.7 | Very low | 174 Ų | 174 | 151.4 Ų | 151.4 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | cis | -158.5 | 158.3 | 20 | -106.7 | 165.8 | 164.3 | 0 | 0 | 110 | ||||
| 128 | E | 42.3 | Very low | 42.2 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -43 | 135.8 | 174.9 | -69.8 | 163.4 | 147.5 | 0 | 0 | 115.1 | ||||
| 129 | E | 32.2 | Very low | 40.6 | Very low | 196 Ų | 196 | 155.5 Ų | 155.5 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -147.3 | 118.2 | 133 | -109.9 | 178.6 | -162.7 | 0 | 0 | 108 | ||||
| 130 | E | 38.5 | Very low | 39.3 | Very low | 187 Ų | 187 | 157.9 Ų | 157.9 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -49.7 | 131.6 | 169.8 | -72 | 168.3 | 141.3 | 0 | 0 | 111.1 | ||||
| 131 | D | 31.9 | Very low | 38.4 | Very low | 163 Ų | 163 | 158.7 Ų | 158.7 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -154.4 | 94.6 | 135 | -133.7 | -0.1 | 0 | 0 | 0 | 108.2 | ||||
| 132 | D | 34.3 | Very low | 37.7 | Very low | 149 Ų | 149 | 160.7 Ų | 160.7 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -63.5 | 121.3 | 160.6 | -89.9 | -37.3 | 0 | 0 | 0 | 108.7 | ||||
| 133 | D | 31.8 | Very low | 37.6 | Very low | 149 Ų | 149 | 157.3 Ų | 157.3 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | -163.6 | 91.8 | 128.4 | -134.5 | 5.7 | 0 | 0 | 0 | 109.5 | |||||
| 134 | Y | 34.7 | Very low | 37.4 | Very low | 227 Ų | 227 | 160 Ų | 160 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -83.4 | 118.5 | 143.6 | -85.4 | -90.7 | 0 | 0 | 0 | 105.7 | ||||
| 135 | D | 35.6 | Very low | 36.8 | Very low | 154 Ų | 154 | 160.4 Ų | 160.4 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -132 | 129.9 | 140.9 | -134.1 | -6.2 | 0 | 0 | 0 | 110.4 | ||||
| 136 | D | 39.4 | Very low | 36.4 | Very low | 122 Ų | 122 | 163.6 Ų | 163.6 | 65% | 0.652 | 81% | 0.806 | S | S | * | * | trans | -78.8 | 151 | -180 | -168.6 | 23.8 | 0 | 0 | 0 | 108.4 | ||||
| 137 | D | 32.9 | Very low | 36.3 | Very low | 163 Ų | 163 | 163.8 Ų | 163.8 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -174.2 | 83.6 | 143.8 | -98.1 | -25.5 | 0 | 0 | 0 | 106.5 | ||||
| 138 | D | 42.7 | Very low | 36.2 | Very low | 133 Ų | 133 | 164.5 Ų | 164.5 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -54.6 | 132.7 | 141.5 | -113.1 | -23.2 | 0 | 0 | 0 | 108.8 | ||||
| 139 | D | 36.7 | Very low | 36 | Very low | 167 Ų | 167 | 162.6 Ų | 162.6 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | -157.7 | 134.1 | 127.6 | -120.7 | -19.8 | 0 | 0 | 0 | 111.6 | |||||
| 140 | D | 40.7 | Very low | 36.1 | Very low | 140 Ų | 140 | 162.2 Ų | 162.2 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | -99.5 | 152.5 | -179.7 | -136.6 | -12.3 | 0 | 0 | 0 | 108.8 | ||||
| 141 | D | 38.2 | Very low | 36.4 | Very low | 150 Ų | 150 | 161.2 Ų | 161.2 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | 57.2 | 119 | 159.1 | -97.3 | -20.6 | 0 | 0 | 0 | 122.1 | ||||
| 142 | D | 33.3 | Very low | 36.6 | Very low | 149 Ų | 149 | 163.9 Ų | 163.9 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | 163.2 | 145.4 | 95.1 | -158.6 | 10.9 | 0 | 0 | 0 | 112 | |||||
| 143 | D | 41.5 | Very low | 37.1 | Very low | 129 Ų | 129 | 162.5 Ų | 162.5 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | trans | -54.1 | 125.8 | 179.1 | 171.3 | 37 | 0 | 0 | 0 | 114.5 | ||||
| 144 | K | 34.1 | Very low | 37.7 | Very low | 199 Ų | 199 | 160.7 Ų | 160.7 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -157.5 | 115.5 | 135.4 | -69.3 | -155.7 | -174.2 | 165.6 | 0 | 113 | ||||
| 145 | N | 37.3 | Very low | 38.2 | Very low | 116 Ų | 116 | 156.1 Ų | 156.1 | 62% | 0.62 | 79% | 0.793 | S | S | * | * | trans | -38 | 134.5 | 155.9 | -176.7 | 13.7 | 0 | 0 | 0 | 114.4 | ||||
| 146 | Y | 33 | Very low | 39.1 | Very low | 214 Ų | 214 | 156.3 Ų | 156.3 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | -177.9 | 145.2 | 128.2 | -85.5 | -65.2 | 0 | 0 | 0 | 111 | |||||
| 147 | E | 37.4 | Very low | 39.6 | Very low | 173 Ų | 173 | 160 Ų | 160 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | -57.8 | 143.5 | -173.2 | -58.3 | 165.9 | 147.9 | 0 | 0 | 115.7 | ||||
| 148 | E | 31.4 | Very low | 40.8 | Very low | 189 Ų | 189 | 161.7 Ų | 161.7 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | 163.6 | 149.4 | 111.6 | -103 | -178.5 | 166.7 | 0 | 0 | 113.1 | |||||
| 149 | D | 38.8 | Very low | 41.4 | Very low | 146 Ų | 146 | 164.8 Ų | 164.8 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | -42.3 | 134.6 | -176.9 | -71.4 | -49.6 | 0 | 0 | 0 | 117.8 | ||||
| 150 | Q | 34.2 | Very low | 42.3 | Very low | 187 Ų | 187 | 165.9 Ų | 165.9 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | -172.4 | 125.1 | 124.1 | -103.3 | 158.2 | 78.5 | 0 | 0 | 112.7 | Y152 | Q150-Y152 PolarHBondContact O-N 3.28Š| |||
| 151 | D | 45.3 | Very low | 43.2 | Very low | 167 Ų | 167 | 162.2 Ų | 162.2 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -52.2 | 102.1 | 170.8 | -77 | -53.8 | 0 | 0 | 0 | 112.2 | ||||
| 152 | Y | 35.6 | Very low | 44.6 | Very low | 218 Ų | 218 | 164.8 Ų | 164.8 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -106.2 | 97.7 | 166 | -131.8 | -91.4 | 0 | 0 | 0 | 109.3 | Q150 P154 | Q150-Y152 PolarHBondContact O-N 3.28Å; Y152-P154 WeakPolarHBondContact O-CD 3.38Å | ||
| 153 | V | 45.7 | Very low | 46 | Very low | 120 Ų | 120 | 163.7 Ų | 163.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -65.5 | 118.7 | 172.4 | -153.6 | 0 | 0 | 0 | 0 | 107.6 | V155 | V153-V155 PolarHBondContact O-N 2.65Š| ||
| 154 | P | 43.3 | Very low | 47.2 | Very low | 112 Ų | 112 | 163.5 Ų | 163.5 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -69.3 | 104.8 | -179.2 | 25.6 | -31.3 | 0 | 0 | 0 | 109.4 | Y152 K156 | Y152-P154 WeakPolarHBondContact O-CD 3.38Å; P154-K156 PolarHBondContact O-N 3.45Å | ||
| 155 | V | 45.2 | Very low | 48.9 | Very low | 130 Ų | 130 | 161.6 Ų | 161.6 | 79% | 0.788 | 81% | 0.807 | S | S | * | * | trans | -66 | 100.6 | 173.1 | -176 | 0 | 0 | 0 | 0 | 107.7 | V153 K157 | V153-V155 PolarHBondContact O-N 2.65Å; V155-K157 PolarHBondContact O-N 2.94Å | ||
| 156 | K | 53.9 | Low | 50.7 | Low | 159 Ų | 159 | 160.3 Ų | 160.3 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | -57.6 | 111.6 | 171.5 | -68.5 | 179.7 | -177.3 | 169.4 | 0 | 108.2 | P154 K158 | P154-K156 PolarHBondContact O-N 3.45Å; K156-K158 PolarHBondContact O-N 2.8Å | ||
| 157 | K | 49.7 | Very low | 52.3 | Low | 198 Ų | 198 | 155.9 Ų | 155.9 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -54.6 | 113.5 | 172.2 | -68.7 | -178.7 | 179.1 | 177 | 0 | 108 | V155 K159 | V155-K157 PolarHBondContact O-N 2.94Å; K157-K159 PolarHBondContact O-N 2.89Å | ||
| 158 | K | 58.5 | Low | 53.9 | Low | 200 Ų | 200 | 150.7 Ų | 150.7 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | trans | -61.4 | 112.8 | 172.2 | -70.9 | -174.6 | 178.6 | -175.7 | 0 | 106.6 | K156 L160 | K156-K158 PolarHBondContact O-N 2.8Å; K158-L160 PolarHBondContact O-N 3.4Å | ||
| 159 | K | 56.8 | Low | 55.6 | Low | 197 Ų | 197 | 144.9 Ų | 144.9 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | trans | -50.3 | 129.6 | 173.3 | -68.6 | -177.4 | 176.1 | -175.6 | 0 | 107.7 | K157 G161 | K157-K159 PolarHBondContact O-N 2.89Å; K159-G161 PolarHBondContact O-N 3.04Å | ||
| 160 | L | 54.1 | Low | 56.8 | Low | 190 Ų | 190 | 147.3 Ų | 147.3 | 100% | 0.995 | 76% | 0.759 | S | S | * | * | trans | -54.2 | 107.1 | 167.9 | -109.2 | 79.6 | 0 | 0 | 0 | 106.9 | K158 | K158-L160 PolarHBondContact O-N 3.4Š| ||
| 161 | G | 60.8 | Low | 58.7 | Low | 64 Ų | 64 | 144 Ų | 144 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | trans | -131.3 | 148.7 | -172.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | K159 | K159-G161 PolarHBondContact O-N 3.04Š| ||
| 162 | K | 66.1 | Low | 59.7 | Low | 204 Ų | 204 | 142.4 Ų | 142.4 | 89% | 0.887 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -34.3 | 149.1 | -178.2 | -58 | 173 | -177 | -180 | 0 | 113.9 | ||
| 163 | N | 63.7 | Low | 61.5 | Low | 125 Ų | 125 | 135.2 Ų | 135.2 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | trans | -29.5 | 127.9 | -176.9 | -79.6 | -12.9 | 0 | 0 | 0 | 114.6 | D165 V166 | N163-D165 PolarHBondContact O-N 3.14Å; N163-D165 VanDerWaalsContact O-N 3.1Å; N163-V166 HydrophobicContact CB-CG2 4.13Å; N163-V166 PolarHBondContact O-N 3.1Å; N163-V166 VanDerWaalsContact O-N 3.14Å | ||
| 164 | P | 67.1 | Low | 62.8 | Low | 125 Ų | 125 | 137.7 Ų | 137.7 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -12.3 | -175.5 | 27.4 | -35.2 | 0 | 0 | 0 | 114.6 | ||
| 165 | D | 70.2 | Confident | 64.4 | Low | 159 Ų | 159 | 136 Ų | 136 | 85% | 0.85 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -3.6 | 177.6 | -68.1 | -34.7 | 0 | 0 | 0 | 113.9 | N163 | N163-D165 PolarHBondContact O-N 3.14Å; N163-D165 VanDerWaalsContact O-N 3.1Å |
| 166 | V | 74.5 | Confident | 66 | Low | 89 Ų | 89 | 134.8 Ų | 134.8 | 54% | 0.539 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -82.8 | 119.1 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | N163 T168 | N163-V166 HydrophobicContact CB-CG2 4.13Å; N163-V166 PolarHBondContact O-N 3.1Å; N163-V166 VanDerWaalsContact O-N 3.14Å; V166-T168 PolarHBondContact O-N 3.01Å |
| 167 | D | 67.1 | Low | 67.2 | Low | 122 Ų | 122 | 133.3 Ų | 133.3 | 65% | 0.652 | 68% | 0.679 | S | S | * | * | trans | -62.2 | 107.7 | 178.1 | -177.4 | 13.2 | 0 | 0 | 0 | 111.6 | S169 | D167-S169 WeakPolarHBondContact OD1-CB 3.3Å; D167-S169 PolarHBondContact OD1-N 2.95Å; D167-S169 PolarHBondContact OD1-OG 3.21Å; D167-S169 PolarHBondContact OD2-OG 3.15Å | ||
| 168 | T | 70.1 | Confident | 68.6 | Low | 63 Ų | 63 | 128.8 Ų | 128.8 | 39% | 0.387 | 66% | 0.661 | S | S | . | * | trans | -95.6 | 12.3 | 176.3 | 58.8 | 0 | 0 | 0 | 0 | 113 | V166 F170 L171 R176 | V166-T168 PolarHBondContact O-N 3.01Å; T168-F170 PolarHBondContact O-N 3.08Å; T168-F170 VanDerWaalsContact O-N 3.08Å; T168-L171 HydrophobicContact CG2-CD1 4.23Å; T168-L171 PolarHBondContact O-N 3.32Å; T168-R176 PolarHBondContact O-NH1 2.95Å | ||
| 169 | S | 66.9 | Low | 69.8 | Low | 68 Ų | 68 | 124.7 Ų | 124.7 | 48% | 0.476 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.2 | -23.3 | 179.3 | 64.2 | 0 | 0 | 0 | 0 | 114.9 | D167 R176 | D167-S169 WeakPolarHBondContact OD1-CB 3.3Å; D167-S169 PolarHBondContact OD1-N 2.95Å; D167-S169 PolarHBondContact OD1-OG 3.21Å; D167-S169 PolarHBondContact OD2-OG 3.15Å; S169-R176 VanDerWaalsContact CA-NH1 3.31Å |
| 170 | F | 64.6 | Low | 71.1 | Confident | 197 Ų | 197 | 121.2 Ų | 121.2 | 86% | 0.864 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -11.8 | 179.3 | -169 | -106 | 0 | 0 | 0 | 114.2 | T168 | T168-F170 PolarHBondContact O-N 3.08Å; T168-F170 VanDerWaalsContact O-N 3.08Å |
| 171 | L | 73.6 | Confident | 72.5 | Confident | 116 Ų | 116 | 115.9 Ų | 115.9 | 61% | 0.607 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -86.1 | 133 | 176.9 | -80 | 144.8 | 0 | 0 | 0 | 109.9 | T168 D173 | T168-L171 HydrophobicContact CG2-CD1 4.23Å; T168-L171 PolarHBondContact O-N 3.32Å; L171-D173 PolarHBondContact O-N 2.87Å |
| 172 | P | 66.3 | Low | 73.9 | Confident | 134 Ų | 134 | 118.7 Ų | 118.7 | 87% | 0.87 | 60% | 0.595 | S | S | * | * | trans | -58.9 | 101.8 | 168.4 | -22.8 | 33.6 | 0 | 0 | 0 | 109.7 | ||||
| 173 | D | 73.1 | Confident | 75 | Confident | 68 Ų | 68 | 113.8 Ų | 113.8 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | trans | -111.3 | 108.4 | -180 | -172.4 | -12.7 | 0 | 0 | 0 | 108.3 | L171 D175 R176 E177 | L171-D173 PolarHBondContact O-N 2.87Å; D173-D175 PolarHBondContact O-N 3.27Å; D173-D175 PolarHBondContact OD1-N 3.06Å; D173-D175 VanDerWaalsContact OD1-N 3.08Å; D173-R176 HydrophobicContact CB-CB 3.86Å; D173-R176 PolarHBondContact O-N 2.88Å; D173-E177 PolarHBondContact O-N 3.39Å | ||
| 174 | R | 73.3 | Confident | 76.2 | Confident | 172 Ų | 172 | 115.2 Ų | 115.2 | 65% | 0.649 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.8 | -34.2 | -177.7 | -172.8 | -175.9 | 66.5 | 143.5 | 4.2 | 111.6 | E178 | R174-E178 VanDerWaalsContact O-CB 3.3Å; R174-E178 WeakPolarHBondContact O-CB 3.46Å; R174-E178 PolarHBondContact O-N 2.86Å |
| 175 | D | 77.3 | Confident | 77.3 | Confident | 76 Ų | 76 | 114.6 Ų | 114.6 | 41% | 0.406 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -76.2 | -32.7 | -177.8 | -63.4 | -8.1 | 0 | 0 | 0 | 110 | D173 E179 | D173-D175 PolarHBondContact O-N 3.27Å; D173-D175 PolarHBondContact OD1-N 3.06Å; D173-D175 VanDerWaalsContact OD1-N 3.08Å; D175-E179 WeakPolarHBondContact O-CG 3.39Å; D175-E179 PolarHBondContact O-N 3.36Å |
| 176 | R | 78.1 | Confident | 78.4 | Confident | 104 Ų | 104 | 112.4 Ų | 112.4 | 39% | 0.392 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70 | -42 | 172.1 | -176.2 | -178 | -110 | 144.1 | -7.2 | 112.7 | T168 S169 D173 E178 E179 E180 | T168-R176 PolarHBondContact O-NH1 2.95Å; S169-R176 VanDerWaalsContact CA-NH1 3.31Å; D173-R176 HydrophobicContact CB-CB 3.86Å; D173-R176 PolarHBondContact O-N 2.88Å; R176-E178 VanDerWaalsContact C-N 3.3Å; R176-E179 WeakPolarHBondContact O-CB 3.25Å; R176-E179 PolarHBondContact O-N 2.87Å; R176-E180 PolarHBondContact O-N 2.88Å |
| 177 | E | 78.6 | Confident | 79.3 | Confident | 128 Ų | 128 | 112.9 Ų | 112.9 | 60% | 0.598 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.9 | -34.4 | 177.1 | -162.5 | 176.4 | -154.2 | 0 | 0 | 111.1 | D173 N181 | D173-E177 PolarHBondContact O-N 3.39Å; E177-N181 WeakPolarHBondContact O-CB 3.47Å; E177-N181 VanDerWaalsContact O-CG 3.28Å; E177-N181 PolarHBondContact O-N 3.22Å; E177-N181 PolarHBondContact O-ND2 3.01Å; E177-N181 VanDerWaalsContact O-ND2 3.15Å |
| 178 | E | 80.9 | Confident | 80.4 | Confident | 104 Ų | 104 | 113.7 Ų | 113.7 | 49% | 0.486 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.8 | -42 | 171.3 | -171.1 | 168.4 | -156.2 | 0 | 0 | 111.6 | R174 R176 N181 R182 | R174-E178 VanDerWaalsContact O-CB 3.3Å; R174-E178 WeakPolarHBondContact O-CB 3.46Å; R174-E178 PolarHBondContact O-N 2.86Å; R176-E178 VanDerWaalsContact C-N 3.3Å; E178-N181 PolarHBondContact O-N 2.99Å; E178-R182 WeakPolarHBondContact O-CG 3.33Å; E178-R182 PolarHBondContact O-N 2.94Å |
| 179 | E | 82.9 | Confident | 81.4 | Confident | 113 Ų | 113 | 116.1 Ų | 116.1 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 172 | -84.6 | 174 | -172.9 | 0 | 0 | 113.2 | D175 R176 N181 R182 L183 | D175-E179 WeakPolarHBondContact O-CG 3.39Å; D175-E179 PolarHBondContact O-N 3.36Å; R176-E179 WeakPolarHBondContact O-CB 3.25Å; R176-E179 PolarHBondContact O-N 2.87Å; E179-N181 VanDerWaalsContact C-N 3.35Å; E179-R182 PolarHBondContact O-N 3.16Å; E179-R182 IonicContact OE1-NH2 2.78Å; E179-L183 WeakPolarHBondContact O-CB 3.38Å; E179-L183 PolarHBondContact O-N 3.44Å |
| 180 | E | 83 | Confident | 82.7 | Confident | 124 Ų | 124 | 117.5 Ų | 117.5 | 58% | 0.579 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -41.1 | 176.3 | -171.4 | -179.6 | 161.9 | 0 | 0 | 111.4 | R176 L183 R184 | R176-E180 PolarHBondContact O-N 2.88Å; E180-L183 PolarHBondContact O-N 2.92Å; E180-R184 VanDerWaalsContact O-CB 3.25Å; E180-R184 WeakPolarHBondContact O-CB 3.33Å; E180-R184 PolarHBondContact O-N 3.28Å |
| 181 | N | 83.8 | Confident | 83.9 | Confident | 78 Ų | 78 | 115.4 Ų | 115.4 | 42% | 0.417 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 175.8 | -77.7 | -33 | 0 | 0 | 0 | 112 | E177 E178 E179 R184 E185 | E177-N181 WeakPolarHBondContact O-CB 3.47Å; E177-N181 VanDerWaalsContact O-CG 3.28Å; E177-N181 PolarHBondContact O-N 3.22Å; E177-N181 PolarHBondContact O-ND2 3.01Å; E177-N181 VanDerWaalsContact O-ND2 3.15Å; E178-N181 PolarHBondContact O-N 2.99Å; E179-N181 VanDerWaalsContact C-N 3.35Å; N181-R184 WeakPolarHBondContact O-CB 3.36Å; N181-R184 PolarHBondContact O-N 3.04Å; N181-E185 WeakPolarHBondContact O-CG 3.46Å; N181-E185 PolarHBondContact O-N 2.98Å |
| 182 | R | 90.6 | Very high | 84.6 | Confident | 124 Ų | 124 | 115 Ų | 115 | 47% | 0.468 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59 | -48.3 | 174.1 | -72.8 | -170.2 | -50.4 | -146.1 | 6 | 111.3 | E178 E179 R184 E185 E186 | E178-R182 WeakPolarHBondContact O-CG 3.33Å; E178-R182 PolarHBondContact O-N 2.94Å; E179-R182 PolarHBondContact O-N 3.16Å; E179-R182 IonicContact OE1-NH2 2.78Å; R182-R184 VanDerWaalsContact C-N 3.27Å; R182-R184 PolarHBondContact O-N 2.86Å; R182-E185 PolarHBondContact O-N 3.28Å; R182-E185 VanDerWaalsContact O-N 3.13Å; R182-E186 WeakPolarHBondContact O-CG 3.48Å; R182-E186 PolarHBondContact O-N 3.23Å |
| 183 | L | 89.6 | Confident | 85.8 | Confident | 100 Ų | 100 | 113.8 Ų | 113.8 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 178 | -167.4 | 114.1 | 0 | 0 | 0 | 111 | E179 E180 E186 L187 | E179-L183 WeakPolarHBondContact O-CB 3.38Å; E179-L183 PolarHBondContact O-N 3.44Å; E180-L183 PolarHBondContact O-N 2.92Å; L183-E186 PolarHBondContact O-N 3.08Å; L183-L187 HydrophobicContact CD2-CD1 3.55Å; L183-L187 HydrophobicContact CG-CD1 3.94Å; L183-L187 WeakPolarHBondContact O-CB 3.48Å; L183-L187 WeakPolarHBondContact O-CD1 3.48Å; L183-L187 PolarHBondContact O-N 3.35Å |
| 184 | R | 89.7 | Confident | 86.5 | Confident | 155 Ų | 155 | 116 Ų | 116 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -36.8 | 176.7 | -166.8 | 176 | -166.2 | 174.8 | 6.3 | 112.7 | E180 N181 R182 R188 | E180-R184 VanDerWaalsContact O-CB 3.25Å; E180-R184 WeakPolarHBondContact O-CB 3.33Å; E180-R184 PolarHBondContact O-N 3.28Å; N181-R184 WeakPolarHBondContact O-CB 3.36Å; N181-R184 PolarHBondContact O-N 3.04Å; R182-R184 VanDerWaalsContact C-N 3.27Å; R182-R184 PolarHBondContact O-N 2.86Å; R184-R188 WeakPolarHBondContact O-CB 3.38Å; R184-R188 PolarHBondContact O-N 2.89Å |
| 185 | E | 88.5 | Confident | 87 | Confident | 113 Ų | 113 | 109.5 Ų | 109.5 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.2 | -44 | 174 | -74.2 | 178.3 | -174.5 | 0 | 0 | 111.6 | N181 R182 R188 Q189 | N181-E185 WeakPolarHBondContact O-CG 3.46Å; N181-E185 PolarHBondContact O-N 2.98Å; R182-E185 PolarHBondContact O-N 3.28Å; R182-E185 VanDerWaalsContact O-N 3.13Å; E185-R188 WeakPolarHBondContact O-CB 3.4Å; E185-R188 PolarHBondContact O-N 3.22Å; E185-Q189 WeakPolarHBondContact O-CG 3.44Å; E185-Q189 PolarHBondContact O-N 3.32Å |
| 186 | E | 93.9 | Very high | 87.5 | Confident | 112 Ų | 112 | 111.2 Ų | 111.2 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59 | -48.8 | 174.1 | -73 | 173.3 | -176.8 | 0 | 0 | 111.2 | R182 L183 R188 Q189 E190 | R182-E186 WeakPolarHBondContact O-CG 3.48Å; R182-E186 PolarHBondContact O-N 3.23Å; L183-E186 PolarHBondContact O-N 3.08Å; E186-R188 VanDerWaalsContact C-N 3.27Å; E186-R188 PolarHBondContact O-N 3.19Å; E186-Q189 PolarHBondContact O-N 3.18Å; E186-E190 WeakPolarHBondContact O-CB 3.25Å; E186-E190 WeakPolarHBondContact O-CG 3.35Å; E186-E190 PolarHBondContact O-N 2.88Å |
| 187 | L | 92.5 | Very high | 88.1 | Confident | 99 Ų | 99 | 113.4 Ų | 113.4 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -36.4 | 175.5 | -89.4 | 145.9 | 0 | 0 | 0 | 112.4 | L183 W191 | L183-L187 HydrophobicContact CD2-CD1 3.55Å; L183-L187 HydrophobicContact CG-CD1 3.94Å; L183-L187 WeakPolarHBondContact O-CB 3.48Å; L183-L187 WeakPolarHBondContact O-CD1 3.48Å; L183-L187 PolarHBondContact O-N 3.35Å; L187-W191 VanDerWaalsContact O-CB 3.27Å; L187-W191 WeakPolarHBondContact O-CB 3.39Å; L187-W191 PolarHBondContact O-N 3.41Å |
| 188 | R | 91.1 | Very high | 88.4 | Confident | 139 Ų | 139 | 110 Ų | 110 | 53% | 0.525 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67 | -46.9 | 175.4 | -174.3 | -166.3 | -53.9 | -92.9 | 0.2 | 111 | R184 E185 E186 W191 E192 | R184-R188 WeakPolarHBondContact O-CB 3.38Å; R184-R188 PolarHBondContact O-N 2.89Å; E185-R188 WeakPolarHBondContact O-CB 3.4Å; E185-R188 PolarHBondContact O-N 3.22Å; E186-R188 VanDerWaalsContact C-N 3.27Å; E186-R188 PolarHBondContact O-N 3.19Å; R188-W191 WeakPolarHBondContact O-CB 3.34Å; R188-W191 PolarHBondContact O-N 2.89Å; R188-E192 WeakPolarHBondContact O-CG 3.37Å; R188-E192 PolarHBondContact O-N 3.06Å |
| 189 | Q | 91.8 | Very high | 88.8 | Confident | 114 Ų | 114 | 109.2 Ų | 109.2 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 177.9 | -70.4 | 176.5 | 21.1 | 0 | 0 | 111.1 | E185 E186 W191 E192 L193 | E185-Q189 WeakPolarHBondContact O-CG 3.44Å; E185-Q189 PolarHBondContact O-N 3.32Å; E186-Q189 PolarHBondContact O-N 3.18Å; Q189-W191 VanDerWaalsContact C-N 3.27Å; Q189-W191 PolarHBondContact O-N 2.84Å; Q189-E192 PolarHBondContact O-N 2.71Å; Q189-L193 WeakPolarHBondContact O-CB 3.37Å; Q189-L193 VanDerWaalsContact O-CG 3.29Å; Q189-L193 WeakPolarHBondContact O-CG 3.37Å; Q189-L193 PolarHBondContact O-N 3.36Å |
| 190 | E | 93.5 | Very high | 89.1 | Confident | 98 Ų | 98 | 107 Ų | 107 | 46% | 0.458 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.2 | -41.6 | 173.9 | -79.9 | -161.9 | -173.4 | 0 | 0 | 111.9 | E186 K194 | E186-E190 WeakPolarHBondContact O-CB 3.25Å; E186-E190 WeakPolarHBondContact O-CG 3.35Å; E186-E190 PolarHBondContact O-N 2.88Å; E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 WeakPolarHBondContact O-CD 3.29Å; E190-K194 WeakPolarHBondContact O-CG 3.44Å; E190-K194 PolarHBondContact O-N 3.13Å; E190-K194 IonicContact OE2-NZ 2.86Å; E190-K194 PolarHBondContact OE2-NZ 3.21Å |
| 191 | W | 89.9 | Confident | 89.3 | Confident | 153 Ų | 153 | 104.8 Ų | 104.8 | 58% | 0.58 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.9 | -47.5 | 176.9 | -179.1 | 81.5 | 0 | 0 | 0 | 110.8 | L187 R188 Q189 L193 K194 Q195 | L187-W191 VanDerWaalsContact O-CB 3.27Å; L187-W191 WeakPolarHBondContact O-CB 3.39Å; L187-W191 PolarHBondContact O-N 3.41Å; R188-W191 WeakPolarHBondContact O-CB 3.34Å; R188-W191 PolarHBondContact O-N 2.89Å; Q189-W191 VanDerWaalsContact C-N 3.27Å; Q189-W191 PolarHBondContact O-N 2.84Å; W191-L193 PolarHBondContact O-N 3.33Å; W191-K194 PolarHBondContact O-N 3.03Å; W191-Q195 HydrophobicContact CD2-CG 3.92Å; W191-Q195 HydrophobicContact CE3-CG 4.19Å; W191-Q195 HydrophobicContact CG-CG 4.49Å; W191-Q195 HydrophobicContact CH2-CG 4.15Å; W191-Q195 HydrophobicContact CZ2-CG 3.88Å; W191-Q195 HydrophobicContact CZ3-CG 4.3Å; W191-Q195 WeakPolarHBondContact O-CB 3.36Å; W191-Q195 WeakPolarHBondContact O-CG 3.22Å; W191-Q195 PolarHBondContact O-N 3.41Å |
| 192 | E | 89 | Confident | 89.5 | Confident | 107 Ų | 107 | 108.3 Ų | 108.3 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 176.5 | -74.5 | 177.7 | -174.5 | 0 | 0 | 112.5 | R188 Q189 Q195 E196 | R188-E192 WeakPolarHBondContact O-CG 3.37Å; R188-E192 PolarHBondContact O-N 3.06Å; Q189-E192 PolarHBondContact O-N 2.71Å; E192-Q195 WeakPolarHBondContact O-CB 3.45Å; E192-Q195 PolarHBondContact O-N 3.01Å; E192-E196 WeakPolarHBondContact O-CB 3.31Å; E192-E196 PolarHBondContact O-N 2.95Å |
| 193 | L | 89.9 | Confident | 89.2 | Confident | 108 Ų | 108 | 103 Ų | 103 | 57% | 0.565 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.9 | -41.8 | 175.9 | -73.4 | 171.2 | 0 | 0 | 0 | 111.8 | Q189 W191 Q195 E196 K197 | Q189-L193 WeakPolarHBondContact O-CB 3.37Å; Q189-L193 VanDerWaalsContact O-CG 3.29Å; Q189-L193 WeakPolarHBondContact O-CG 3.37Å; Q189-L193 PolarHBondContact O-N 3.36Å; W191-L193 PolarHBondContact O-N 3.33Å; L193-Q195 VanDerWaalsContact C-N 3.35Å; L193-E196 PolarHBondContact O-N 2.77Å; L193-K197 VanDerWaalsContact O-CB 3.29Å; L193-K197 WeakPolarHBondContact O-CB 3.47Å; L193-K197 PolarHBondContact O-N 2.88Å |
| 194 | K | 88 | Confident | 89.1 | Confident | 114 Ų | 114 | 102.9 Ų | 102.9 | 50% | 0.496 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 174.5 | -73.8 | 165.7 | -168.4 | 158.6 | 0 | 110.7 | E190 W191 K197 I198 | E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 WeakPolarHBondContact O-CD 3.29Å; E190-K194 WeakPolarHBondContact O-CG 3.44Å; E190-K194 PolarHBondContact O-N 3.13Å; E190-K194 IonicContact OE2-NZ 2.86Å; E190-K194 PolarHBondContact OE2-NZ 3.21Å; W191-K194 PolarHBondContact O-N 3.03Å; K194-K197 PolarHBondContact O-N 3.44Å; K194-I198 VanDerWaalsContact O-CG1 3.31Å; K194-I198 WeakPolarHBondContact O-CG1 3.19Å; K194-I198 PolarHBondContact O-N 3.01Å |
| 195 | Q | 84.8 | Confident | 88.8 | Confident | 36 Ų | 36 | 95.8 Ų | 95.8 | 17% | 0.168 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 175 | -69.1 | -73.3 | -62.9 | 0 | 0 | 111.3 | W191 E192 L193 K197 I198 K199 Y269 | W191-Q195 HydrophobicContact CD2-CG 3.92Å; W191-Q195 HydrophobicContact CE3-CG 4.19Å; W191-Q195 HydrophobicContact CG-CG 4.49Å; W191-Q195 HydrophobicContact CH2-CG 4.15Å; W191-Q195 HydrophobicContact CZ2-CG 3.88Å; W191-Q195 HydrophobicContact CZ3-CG 4.3Å; W191-Q195 WeakPolarHBondContact O-CB 3.36Å; W191-Q195 WeakPolarHBondContact O-CG 3.22Å; W191-Q195 PolarHBondContact O-N 3.41Å; E192-Q195 WeakPolarHBondContact O-CB 3.45Å; E192-Q195 PolarHBondContact O-N 3.01Å; L193-Q195 VanDerWaalsContact C-N 3.35Å; Q195-K197 VanDerWaalsContact C-N 3.35Å; Q195-I198 PolarHBondContact O-N 3.23Å; Q195-K199 WeakPolarHBondContact O-CB 3.42Å; Q195-K199 VanDerWaalsContact O-CG 3.27Å; Q195-K199 WeakPolarHBondContact O-CG 3.41Å; Q195-K199 PolarHBondContact O-N 3.28Å; Q195-Y269 PolarHBondContact NE2-OH 3.44Å; Q195-Y269 VanDerWaalsContact OE1-CZ 3.23Å; Q195-Y269 PolarHBondContact OE1-OH 3.26Å |
| 196 | E | 88.1 | Confident | 88.7 | Confident | 112 Ų | 112 | 93.4 Ų | 93.4 | 52% | 0.523 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 179.2 | -176.9 | 173.4 | -157.6 | 0 | 0 | 111.7 | E192 L193 K199 N200 | E192-E196 WeakPolarHBondContact O-CB 3.31Å; E192-E196 PolarHBondContact O-N 2.95Å; L193-E196 PolarHBondContact O-N 2.77Å; E196-K199 PolarHBondContact O-N 3.5Å; E196-N200 WeakPolarHBondContact CG-ND2 3.47Å; E196-N200 VanDerWaalsContact O-CB 3.31Å; E196-N200 WeakPolarHBondContact O-CB 3.47Å; E196-N200 PolarHBondContact O-N 3.5Å; E196-N200 PolarHBondContact O-ND2 2.94Å |
| 197 | K | 89.3 | Confident | 88.5 | Confident | 151 Ų | 151 | 88 Ų | 88 | 66% | 0.657 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -59.1 | -49.4 | 174.7 | -171.6 | 175.6 | -178.4 | 179.1 | 0 | 111.1 | L193 K194 Q195 K199 N200 E201 | L193-K197 VanDerWaalsContact O-CB 3.29Å; L193-K197 WeakPolarHBondContact O-CB 3.47Å; L193-K197 PolarHBondContact O-N 2.88Å; K194-K197 PolarHBondContact O-N 3.44Å; Q195-K197 VanDerWaalsContact C-N 3.35Å; K197-K199 VanDerWaalsContact C-N 3.33Å; K197-K199 PolarHBondContact O-N 2.9Å; K197-N200 PolarHBondContact O-N 2.66Å; K197-N200 VanDerWaalsContact O-N 3.17Å; K197-E201 PolarHBondContact O-N 2.87Å; K197-E201 VanDerWaalsContact O-N 3.16Å |
| 198 | I | 86.3 | Confident | 88.3 | Confident | 56 Ų | 56 | 83.8 Ų | 83.8 | 29% | 0.287 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 177.8 | -59.9 | 163 | 0 | 0 | 0 | 110.7 | K194 Q195 N200 E201 K223 Y269 | K194-I198 VanDerWaalsContact O-CG1 3.31Å; K194-I198 WeakPolarHBondContact O-CG1 3.19Å; K194-I198 PolarHBondContact O-N 3.01Å; Q195-I198 PolarHBondContact O-N 3.23Å; I198-N200 VanDerWaalsContact C-N 3.28Å; I198-N200 PolarHBondContact O-N 3.34Å; I198-E201 WeakPolarHBondContact O-CB 3.47Å; I198-E201 PolarHBondContact O-N 3.34Å; I198-K223 HydrophobicContact CG2-CD 4.25Å; I198-K223 WeakPolarHBondContact O-CB 3.46Å; I198-K223 WeakPolarHBondContact O-CD 3.39Å; I198-K223 VanDerWaalsContact O-CG 3.24Å; I198-K223 WeakPolarHBondContact O-CG 3.39Å; I198-Y269 HydrophobicContact CB-CD2 4.43Å; I198-Y269 HydrophobicContact CB-CE2 3.86Å; I198-Y269 HydrophobicContact CG2-CD2 3.85Å; I198-Y269 HydrophobicContact CG2-CE2 3.51Å |
| 199 | K | 88 | Confident | 88.2 | Confident | 87 Ų | 87 | 77.4 Ų | 77.4 | 38% | 0.378 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -34.2 | 175.7 | -75.6 | 173.5 | -176.5 | 178.6 | 0 | 112.3 | Q195 E196 K197 K223 G224 Y269 | Q195-K199 WeakPolarHBondContact O-CB 3.42Å; Q195-K199 VanDerWaalsContact O-CG 3.27Å; Q195-K199 WeakPolarHBondContact O-CG 3.41Å; Q195-K199 PolarHBondContact O-N 3.28Å; E196-K199 PolarHBondContact O-N 3.5Å; K197-K199 VanDerWaalsContact C-N 3.33Å; K197-K199 PolarHBondContact O-N 2.9Å; K199-K223 PolarHBondContact O-N 3.23Å; K199-G224 PolarHBondContact O-N 3.36Å; K199-Y269 HydrophobicContact CG-CD1 4.28Å; K199-Y269 HydrophobicContact CG-CD2 3.7Å; K199-Y269 HydrophobicContact CG-CE2 4.19Å; K199-Y269 HydrophobicContact CG-CG 3.78Å |
| 200 | N | 89.3 | Confident | 87.8 | Confident | 67 Ų | 67 | 74.9 Ų | 74.9 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -80.6 | -14.4 | -179.6 | -85 | -44.9 | 0 | 0 | 0 | 114.3 | E196 K197 I198 E202 K222 | E196-N200 WeakPolarHBondContact CG-ND2 3.47Å; E196-N200 VanDerWaalsContact O-CB 3.31Å; E196-N200 WeakPolarHBondContact O-CB 3.47Å; E196-N200 PolarHBondContact O-N 3.5Å; E196-N200 PolarHBondContact O-ND2 2.94Å; K197-N200 PolarHBondContact O-N 2.66Å; K197-N200 VanDerWaalsContact O-N 3.17Å; I198-N200 VanDerWaalsContact C-N 3.28Å; I198-N200 PolarHBondContact O-N 3.34Å; N200-E202 PolarHBondContact O-N 3.45Å; N200-K222 PolarHBondContact OD1-NZ 3.15Å |
| 201 | E | 88.3 | Confident | 87.1 | Confident | 78 Ų | 78 | 73 Ų | 73 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -56.6 | 132.4 | 174 | -72.9 | 166.8 | -167.9 | 0 | 0 | 110.6 | K197 I198 K222 K223 | K197-E201 PolarHBondContact O-N 2.87Å; K197-E201 VanDerWaalsContact O-N 3.16Å; I198-E201 WeakPolarHBondContact O-CB 3.47Å; I198-E201 PolarHBondContact O-N 3.34Å; E201-K222 CarbonylContact O-C 3.54Å; E201-K222 WeakPolarHBondContact O-CA 3.47Å; E201-K223 HydrophobicContact CB-CD 3.83Å; E201-K223 HydrophobicContact CB-CG 3.86Å; E201-K223 WeakPolarHBondContact O-CG 3.29Å; E201-K223 PolarHBondContact O-N 3.25Å; E201-K223 WeakPolarHBondContact OE2-CE 3.24Å; E201-K223 IonicContact OE2-NZ 3.84Å; E201-K223 PolarHBondContact OE2-NZ 2.85Å |
| 202 | E | 87.1 | Confident | 86.3 | Confident | 152 Ų | 152 | 68.3 Ų | 68.3 | 71% | 0.71 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 139.5 | 178.4 | -63.2 | -172 | 168.7 | 0 | 0 | 110.5 | N200 M221 | N200-E202 PolarHBondContact O-N 3.45Å; E202-M221 CarbonylContact C-O 3.56Å |
| 203 | I | 84.9 | Confident | 85.6 | Confident | 12 Ų | 12 | 66.4 Ų | 66.4 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.9 | 177.7 | -70.7 | 173.4 | 0 | 0 | 0 | 108.1 | I205 K220 M221 K223 I272 F286 | I203-I205 HydrophobicContact CG2-CD1 4.35Å; I203-I205 HydrophobicContact CG2-CG1 3.58Å; I203-K220 WeakPolarHBondContact O-CA 3.49Å; I203-M221 PolarHBondContact N-O 2.96Å; I203-M221 PolarHBondContact O-N 3.4Å; I203-M221 VanDerWaalsContact O-O 3.06Å; I203-K223 HydrophobicContact CD1-CB 3.86Å; I203-K223 HydrophobicContact CD1-CD 3.6Å; I203-K223 VanDerWaalsContact CD1-CE 3.49Å; I203-K223 HydrophobicContact CD1-CG 3.33Å; I203-K223 HydrophobicContact CG1-CD 4.05Å; I203-K223 VanDerWaalsContact CG1-CE 3.47Å; I203-K223 HydrophobicContact CG1-CG 3.72Å; I203-I272 HydrophobicContact CD1-CD1 3.84Å; I203-F286 HydrophobicContact CB-CD1 4.41Å; I203-F286 HydrophobicContact CB-CE1 4.33Å; I203-F286 HydrophobicContact CD1-CB 4.43Å; I203-F286 HydrophobicContact CD1-CD1 3.84Å; I203-F286 HydrophobicContact CD1-CD2 3.85Å; I203-F286 HydrophobicContact CD1-CE1 3.92Å; I203-F286 HydrophobicContact CD1-CE2 3.83Å; I203-F286 HydrophobicContact CD1-CG 3.79Å; I203-F286 HydrophobicContact CD1-CZ 3.86Å; I203-F286 HydrophobicContact CG1-CD1 4.1Å; I203-F286 HydrophobicContact CG1-CE1 4.37Å; I203-F286 HydrophobicContact CG1-CG 4.34Å; I203-F286 HydrophobicContact CG2-CD1 3.39Å; I203-F286 HydrophobicContact CG2-CE1 3.08Å; I203-F286 HydrophobicContact CG2-CG 4.36Å; I203-F286 HydrophobicContact CG2-CZ 3.8Å |
| 204 | E | 86.3 | Confident | 85 | Confident | 97 Ų | 97 | 63.1 Ų | 63.1 | 45% | 0.453 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 117.1 | 163.5 | -174.6 | 160.2 | -176.1 | 0 | 0 | 110.4 | T218 K220 | E204-T218 WeakPolarHBondContact OE1-CB 3.32Å; E204-T218 PolarHBondContact OE1-OG1 3.21Å; E204-K220 HydrophobicContact CB-CG 4.32Å; E204-K220 HydrophobicContact CG-CG 4.29Å; E204-K220 VanDerWaalsContact OE2-CE 3.25Å; E204-K220 WeakPolarHBondContact OE2-CE 3.15Å; E204-K220 IonicContact OE2-NZ 3.88Å |
| 205 | I | 84.9 | Confident | 84.7 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.6 | 179.5 | -56.7 | 174.5 | 0 | 0 | 0 | 108.2 | I203 V219 M221 F230 F268 F286 | I203-I205 HydrophobicContact CG2-CD1 4.35Å; I203-I205 HydrophobicContact CG2-CG1 3.58Å; I205-V219 PolarHBondContact N-O 3Å; I205-V219 PolarHBondContact O-N 3.46Å; I205-M221 HydrophobicContact CD1-CG 3.96Å; I205-M221 HydrophobicContact CD1-SD 3.95Å; I205-F230 HydrophobicContact CB-CD2 4.35Å; I205-F230 HydrophobicContact CB-CE2 3.92Å; I205-F230 HydrophobicContact CD1-CD2 3.93Å; I205-F230 HydrophobicContact CD1-CE2 4.33Å; I205-F230 HydrophobicContact CG2-CD2 4.23Å; I205-F230 HydrophobicContact CG2-CE2 3.58Å; I205-F230 HydrophobicContact CG2-CZ 4.19Å; I205-F268 HydrophobicContact CD1-CD1 3.78Å; I205-F268 HydrophobicContact CD1-CD2 3.87Å; I205-F268 HydrophobicContact CD1-CE1 3.45Å; I205-F268 VanDerWaalsContact CD1-CE1 3.45Å; I205-F268 HydrophobicContact CD1-CE2 3.56Å; I205-F268 HydrophobicContact CD1-CG 3.98Å; I205-F268 HydrophobicContact CD1-CZ 3.34Å; I205-F286 HydrophobicContact CG1-CE1 4.44Å |
| 206 | T | 86.6 | Confident | 84.7 | Confident | 63 Ų | 63 | 68.4 Ų | 68.4 | 39% | 0.387 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 124 | 170 | -56.2 | 0 | 0 | 0 | 0 | 109.5 | T218 A307 G308 | T206-T218 HydrophobicContact CG2-CG2 4.14Å; T206-A307 HydrophobicContact CG2-CB 3.88Å; T206-G308 PolarHBondContact O-N 3.15Å |
| 207 | F | 88.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 159.6 | 174.3 | 71.5 | -87.9 | 0 | 0 | 0 | 111.7 | R216 K217 V219 F230 A234 L238 Y255 G308 V310 | F207-R216 CarbonylContact O-C 3.58Å; F207-R216 WeakPolarHBondContact O-CA 3.17Å; F207-K217 HydrophobicContact CE1-CB 4.17Å; F207-K217 HydrophobicContact CE2-CB 4.25Å; F207-K217 HydrophobicContact CZ-CB 3.89Å; F207-K217 PolarHBondContact N-O 3.16Å; F207-K217 PolarHBondContact O-N 3.22Å; F207-V219 HydrophobicContact CE1-CB 4.08Å; F207-V219 HydrophobicContact CE1-CG2 3.56Å; F207-V219 HydrophobicContact CZ-CG2 4.26Å; F207-F230 HydrophobicContact CB-CZ 3.72Å; F207-F230 AromaticContact CD1-CE2 3.76Å; F207-F230 HydrophobicContact CD1-CE2 3.76Å; F207-F230 AromaticContact CD1-CZ 3.47Å; F207-F230 HydrophobicContact CD1-CZ 3.47Å; F207-F230 VanDerWaalsContact CD1-CZ 3.47Å; F207-F230 HydrophobicContact CD2-CZ 4.45Å; F207-F230 HydrophobicContact CE1-CE2 4.33Å; F207-F230 HydrophobicContact CE1-CZ 4.17Å; F207-F230 HydrophobicContact CG-CE2 4.36Å; F207-F230 AromaticContact CG-CZ 3.63Å; F207-F230 HydrophobicContact CG-CZ 3.63Å; F207-A234 HydrophobicContact CD2-CB 4.47Å; F207-A234 HydrophobicContact CE1-CB 3.85Å; F207-A234 HydrophobicContact CE2-CB 3.78Å; F207-A234 HydrophobicContact CZ-CB 3.42Å; F207-A234 VanDerWaalsContact CZ-CB 3.42Å; F207-L238 HydrophobicContact CE2-CD1 4.13Å; F207-L238 HydrophobicContact CE2-CD2 4.44Å; F207-L238 HydrophobicContact CE2-CG 4.3Å; F207-Y255 HydrophobicContact CB-CE2 4.43Å; F207-G308 CarbonylContact C-O 3.56Å; F207-G308 WeakPolarHBondContact CA-O 3.22Å; F207-G308 VanDerWaalsContact CB-O 3.29Å; F207-G308 WeakPolarHBondContact CB-O 3.35Å; F207-V310 HydrophobicContact CB-CG2 4.19Å; F207-V310 HydrophobicContact CD2-CB 4.26Å; F207-V310 HydrophobicContact CD2-CG2 3.57Å; F207-V310 HydrophobicContact CE2-CG2 4.29Å; F207-V310 HydrophobicContact CG-CG2 4.11Å |
| 208 | S | 88.3 | Confident | 84.6 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 7% | 0.07 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 120.9 | 175.4 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | G214 H215 G308 K309 V310 | S208-G214 WeakPolarHBondContact OG-CA 3.48Å; S208-H215 CarbonylContact C-O 3.59Å; S208-H215 VanDerWaalsContact CA-O 3.26Å; S208-H215 WeakPolarHBondContact CA-O 3.38Å; S208-H215 PolarHBondContact OG-N 2.75Å; S208-G308 PolarHBondContact N-O 2.89Å; S208-K309 CarbonylContact O-C 3.36Å; S208-K309 VanDerWaalsContact O-CA 3.27Å; S208-K309 WeakPolarHBondContact O-CA 3.44Å; S208-V310 PolarHBondContact O-N 3.4Å |
| 209 | Y | 88.9 | Confident | 84.7 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 139.8 | 164.4 | 178.7 | -112.7 | 0 | 0 | 0 | 109.2 | D211 H215 L238 F242 L245 V310 | Y209-D211 HydrophobicContact CE1-CB 3.79Å; Y209-H215 PolarHBondContact N-O 2.8Å; Y209-H215 PolarHBondContact O-N 3.29Å; Y209-L238 HydrophobicContact CD2-CD1 3.81Å; Y209-L238 HydrophobicContact CG-CD1 3.93Å; Y209-L238 HydrophobicContact CG-CD2 4.08Å; Y209-F242 HydrophobicContact CD1-CD2 4.22Å; Y209-F242 AromaticContact CD1-CE2 3.97Å; Y209-F242 HydrophobicContact CD1-CE2 3.97Å; Y209-F242 HydrophobicContact CD1-CZ 4.22Å; Y209-F242 HydrophobicContact CE1-CD2 4.37Å; Y209-F242 HydrophobicContact CE1-CE2 4.43Å; Y209-F242 HydrophobicContact CE1-CG 4.42Å; Y209-L245 HydrophobicContact CD2-CD1 4.27Å; Y209-L245 HydrophobicContact CE1-CD1 4.12Å; Y209-L245 HydrophobicContact CE2-CD1 3.83Å; Y209-L245 HydrophobicContact CE2-CD2 4.02Å; Y209-L245 HydrophobicContact CE2-CG 4.44Å; Y209-V310 WeakPolarHBondContact CA-O 3.36Å; Y209-V310 HydrophobicContact CD2-CG1 4.39Å; Y209-V310 WeakPolarHBondContact CD2-O 3.38Å |
| 210 | W | 83.5 | Confident | 84.8 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 109.6 | -176.3 | -175.1 | -82.1 | 0 | 0 | 0 | 110.6 | V310 V311 W315 | W210-V310 PolarHBondContact N-O 3.33Å; W210-V311 HydrophobicContact CB-CG2 4.07Å; W210-W315 AromaticContact CD1-CE2 3.98Å; W210-W315 AromaticContact CD1-CH2 3.29Å; W210-W315 AromaticContact CD1-CZ2 3.38Å; W210-W315 AromaticContact CD1-CZ3 3.8Å; W210-W315 AromaticContact NE1-CH2 3.09Å; W210-W315 AromaticContact NE1-CZ2 3.18Å |
| 211 | D | 79.1 | Confident | 84.9 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 31% | 0.31 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -114.7 | -0.8 | 173.4 | 55.9 | 8.7 | 0 | 0 | 0 | 112.2 | Y209 S213 H215 W315 | Y209-D211 HydrophobicContact CE1-CB 3.79Å; D211-S213 PolarHBondContact OD1-N 2.93Å; D211-S213 VanDerWaalsContact OD1-O 3.11Å; D211-H215 IonicContact OD2-NE2 2.79Å; D211-W315 PolarHBondContact O-NE1 2.89Å; D211-W315 VanDerWaalsContact O-NE1 3.17Å |
| 212 | G | 72.4 | Confident | 85 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 57% | 0.567 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 128.5 | -23.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 213 | S | 75.4 | Confident | 85.1 | Confident | 67 Ų | 67 | 53 Ų | 53 | 47% | 0.469 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -119.8 | 151 | 165.7 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | D211 | D211-S213 PolarHBondContact OD1-N 2.93Å; D211-S213 VanDerWaalsContact OD1-O 3.11Å |
| 214 | G | 77.5 | Confident | 85.2 | Confident | 39 Ų | 39 | 53.8 Ų | 53.8 | 40% | 0.402 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 108.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S208 | S208-G214 WeakPolarHBondContact OG-CA 3.48Å |
| 215 | H | 82 | Confident | 85.5 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 30% | 0.296 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 93.7 | 175.9 | -63.7 | -78 | 0 | 0 | 0 | 111.4 | S208 Y209 D211 F242 | S208-H215 CarbonylContact C-O 3.59Å; S208-H215 VanDerWaalsContact CA-O 3.26Å; S208-H215 WeakPolarHBondContact CA-O 3.38Å; S208-H215 PolarHBondContact OG-N 2.75Å; Y209-H215 PolarHBondContact N-O 2.8Å; Y209-H215 PolarHBondContact O-N 3.29Å; D211-H215 IonicContact OD2-NE2 2.79Å; H215-F242 HydrophobicContact CB-CE2 4.49Å; H215-F242 HydrophobicContact CB-CZ 4.42Å; H215-F242 AromaticContact CD2-CZ 3.46Å; H215-F242 VanDerWaalsContact CD2-CZ 3.46Å; H215-F242 WeakPolarHBondContact CD2-CZ 3.27Å; H215-F242 AromaticContact CE1-CZ 3.83Å; H215-F242 AromaticContact CG-CZ 3.67Å; H215-F242 AromaticContact ND1-CZ 3.91Å; H215-F242 AromaticContact NE2-CZ 3.58Å |
| 216 | R | 84.7 | Confident | 85.9 | Confident | 197 Ų | 197 | 52.7 Ų | 52.7 | 74% | 0.743 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 131.4 | 179 | -67.4 | -176.1 | 178.2 | -168.1 | -1 | 111.5 | F207 | F207-R216 CarbonylContact O-C 3.58Å; F207-R216 WeakPolarHBondContact O-CA 3.17Å |
| 217 | K | 85.8 | Confident | 86.1 | Confident | 40 Ų | 40 | 49.7 Ų | 49.7 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 156.9 | 173.9 | -64.4 | -156 | 175.4 | -153.3 | 0 | 110.1 | F207 V237 L238 D241 | F207-K217 HydrophobicContact CE1-CB 4.17Å; F207-K217 HydrophobicContact CE2-CB 4.25Å; F207-K217 HydrophobicContact CZ-CB 3.89Å; F207-K217 PolarHBondContact N-O 3.16Å; F207-K217 PolarHBondContact O-N 3.22Å; K217-V237 HydrophobicContact CD-CG1 3.37Å; K217-V237 PolarHBondContact NZ-O 3.31Å; K217-L238 HydrophobicContact CD-CD2 4.13Å; K217-D241 WeakPolarHBondContact CE-OD2 3.4Å; K217-D241 IonicContact NZ-OD1 3.37Å; K217-D241 PolarHBondContact NZ-OD1 3.14Å; K217-D241 IonicContact NZ-OD2 2.62Å; K217-D241 PolarHBondContact NZ-OD2 2.86Å |
| 218 | T | 88.1 | Confident | 86.3 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 45% | 0.454 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.5 | 174.4 | 66.9 | 0 | 0 | 0 | 0 | 110.2 | E204 T206 | E204-T218 WeakPolarHBondContact OE1-CB 3.32Å; E204-T218 PolarHBondContact OE1-OG1 3.21Å; T206-T218 HydrophobicContact CG2-CG2 4.14Å |
| 219 | V | 88.7 | Confident | 86.5 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 135.7 | 174.5 | 169.3 | 0 | 0 | 0 | 0 | 109.6 | I205 F207 M221 K233 V237 | I205-V219 PolarHBondContact N-O 3Å; I205-V219 PolarHBondContact O-N 3.46Å; F207-V219 HydrophobicContact CE1-CB 4.08Å; F207-V219 HydrophobicContact CE1-CG2 3.56Å; F207-V219 HydrophobicContact CZ-CG2 4.26Å; V219-M221 HydrophobicContact CB-CE 4.17Å; V219-M221 HydrophobicContact CG1-CE 3.3Å; V219-K233 HydrophobicContact CG1-CB 4.07Å; V219-K233 HydrophobicContact CG1-CD 4.21Å; V219-V237 HydrophobicContact CG2-CG2 4.04Å |
| 220 | K | 90.3 | Very high | 86.6 | Confident | 136 Ų | 136 | 56.2 Ų | 56.2 | 59% | 0.591 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 131.8 | 176.4 | -60.4 | -172.9 | 178 | -169.7 | 0 | 111.6 | I203 E204 | I203-K220 WeakPolarHBondContact O-CA 3.49Å; E204-K220 HydrophobicContact CB-CG 4.32Å; E204-K220 HydrophobicContact CG-CG 4.29Å; E204-K220 VanDerWaalsContact OE2-CE 3.25Å; E204-K220 WeakPolarHBondContact OE2-CE 3.15Å; E204-K220 IonicContact OE2-NZ 3.88Å |
| 221 | M | 90.9 | Very high | 87 | Confident | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.03 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 170.9 | 175.9 | 64.3 | -172.8 | 70.7 | 0 | 0 | 113.4 | E202 I203 I205 V219 N225 F230 K233 F268 | E202-M221 CarbonylContact C-O 3.56Å; I203-M221 PolarHBondContact N-O 2.96Å; I203-M221 PolarHBondContact O-N 3.4Å; I203-M221 VanDerWaalsContact O-O 3.06Å; I205-M221 HydrophobicContact CD1-CG 3.96Å; I205-M221 HydrophobicContact CD1-SD 3.95Å; V219-M221 HydrophobicContact CB-CE 4.17Å; V219-M221 HydrophobicContact CG1-CE 3.3Å; M221-N225 HydrophobicContact SD-CB 4.46Å; M221-F230 HydrophobicContact CE-CB 3.81Å; M221-F230 HydrophobicContact CE-CD2 3.22Å; M221-F230 HydrophobicContact CE-CE2 4.09Å; M221-F230 HydrophobicContact CE-CG 3.92Å; M221-F230 HydrophobicContact SD-CB 3.54Å; M221-F230 VanDerWaalsContact SD-CB 3.54Å; M221-F230 HydrophobicContact SD-CD2 3.65Å; M221-F230 HydrophobicContact SD-CG 4.08Å; M221-K233 HydrophobicContact CE-CB 4.5Å; M221-K233 HydrophobicContact CE-CD 4.09Å; M221-F268 HydrophobicContact SD-CD2 4.46Å; M221-F268 HydrophobicContact SD-CE2 3.86Å |
| 222 | K | 91.7 | Very high | 87.5 | Confident | 85 Ų | 85 | 56 Ų | 56 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 149.2 | 180 | -63.2 | -178.4 | 169 | -167.3 | 0 | 112.2 | N200 E201 G224 N225 | N200-K222 PolarHBondContact OD1-NZ 3.15Å; E201-K222 CarbonylContact O-C 3.54Å; E201-K222 WeakPolarHBondContact O-CA 3.47Å; K222-G224 PolarHBondContact O-N 2.95Å; K222-N225 WeakPolarHBondContact O-CB 3.47Å; K222-N225 PolarHBondContact O-N 2.66Å; K222-N225 VanDerWaalsContact O-N 3.11Å |
| 223 | K | 88.5 | Confident | 88.4 | Confident | 24 Ų | 24 | 57.3 Ų | 57.3 | 10% | 0.104 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -34.1 | 177.8 | -38.4 | -157.7 | 157.6 | 168.3 | 0 | 112.6 | I198 K199 E201 I203 N225 F268 Y269 I272 | I198-K223 HydrophobicContact CG2-CD 4.25Å; I198-K223 WeakPolarHBondContact O-CB 3.46Å; I198-K223 WeakPolarHBondContact O-CD 3.39Å; I198-K223 VanDerWaalsContact O-CG 3.24Å; I198-K223 WeakPolarHBondContact O-CG 3.39Å; K199-K223 PolarHBondContact O-N 3.23Å; E201-K223 HydrophobicContact CB-CD 3.83Å; E201-K223 HydrophobicContact CB-CG 3.86Å; E201-K223 WeakPolarHBondContact O-CG 3.29Å; E201-K223 PolarHBondContact O-N 3.25Å; E201-K223 WeakPolarHBondContact OE2-CE 3.24Å; E201-K223 IonicContact OE2-NZ 3.84Å; E201-K223 PolarHBondContact OE2-NZ 2.85Å; I203-K223 HydrophobicContact CD1-CB 3.86Å; I203-K223 HydrophobicContact CD1-CD 3.6Å; I203-K223 VanDerWaalsContact CD1-CE 3.49Å; I203-K223 HydrophobicContact CD1-CG 3.33Å; I203-K223 HydrophobicContact CG1-CD 4.05Å; I203-K223 VanDerWaalsContact CG1-CE 3.47Å; I203-K223 HydrophobicContact CG1-CG 3.72Å; K223-N225 PolarHBondContact O-N 3.46Å; K223-F268 CarbonylContact O-C 3.44Å; K223-F268 WeakPolarHBondContact O-CB 3.27Å; K223-F268 PolarHBondContact O-N 2.81Å; K223-Y269 PolarHBondContact O-N 3.29Å; K223-I272 HydrophobicContact CB-CD1 4.23Å; K223-I272 HydrophobicContact CD-CD1 3.7Å; K223-I272 HydrophobicContact CG-CD1 4.36Å |
| 224 | G | 87.8 | Confident | 89 | Confident | 29 Ų | 29 | 54.1 Ų | 54.1 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -7.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K199 K222 | K199-G224 PolarHBondContact O-N 3.36Å; K222-G224 PolarHBondContact O-N 2.95Å |
| 225 | N | 91.8 | Very high | 89.5 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 21% | 0.214 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -71.9 | 142.5 | 178.2 | -73.2 | -2 | 0 | 0 | 0 | 111.1 | M221 K222 K223 N229 F268 | M221-N225 HydrophobicContact SD-CB 4.46Å; K222-N225 WeakPolarHBondContact O-CB 3.47Å; K222-N225 PolarHBondContact O-N 2.66Å; K222-N225 VanDerWaalsContact O-N 3.11Å; K223-N225 PolarHBondContact O-N 3.46Å; N225-N229 HydrophobicContact CB-CB 4.32Å; N225-F268 WeakPolarHBondContact O-CD2 3.29Å; N225-F268 PolarHBondContact O-N 2.91Å |
| 226 | T | 92.9 | Very high | 89.8 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 24% | 0.239 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -72.9 | 160.4 | 173.1 | 73.8 | 0 | 0 | 0 | 0 | 111.1 | Q228 N229 F230 | T226-Q228 PolarHBondContact O-N 3.41Å; T226-Q228 PolarHBondContact OG1-N 2.8Å; T226-N229 WeakPolarHBondContact O-CB 3.41Å; T226-N229 PolarHBondContact O-N 3.23Å; T226-N229 VanDerWaalsContact O-N 3.15Å; T226-N229 PolarHBondContact OG1-N 2.76Å; T226-N229 PolarHBondContact OG1-OD1 3.19Å; T226-F230 PolarHBondContact O-N 2.83Å |
| 227 | I | 90.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.3 | -30.9 | 173 | -71.2 | 166.8 | 0 | 0 | 0 | 111.3 | F230 L231 Y255 I262 H266 F268 F271 | I227-F230 WeakPolarHBondContact O-CB 3.07Å; I227-F230 PolarHBondContact O-N 2.81Å; I227-L231 HydrophobicContact CG2-CD1 4.05Å; I227-L231 HydrophobicContact CG2-CG 4.12Å; I227-L231 WeakPolarHBondContact O-CB 3.39Å; I227-L231 VanDerWaalsContact O-CG 3.31Å; I227-L231 WeakPolarHBondContact O-CG 3.47Å; I227-L231 PolarHBondContact O-N 3.19Å; I227-Y255 HydrophobicContact CG2-CG 4.37Å; I227-I262 HydrophobicContact CD1-CB 3.73Å; I227-I262 HydrophobicContact CD1-CD1 4.36Å; I227-I262 HydrophobicContact CD1-CG2 3.1Å; I227-H266 HydrophobicContact CD1-CB 4.29Å; I227-H266 WeakPolarHBondContact CG1-O 3.39Å; I227-H266 PolarHBondContact N-O 2.86Å; I227-F268 HydrophobicContact CG1-CE1 4.3Å; I227-F268 HydrophobicContact CG1-CE2 4.27Å; I227-F268 HydrophobicContact CG1-CZ 3.94Å; I227-F271 HydrophobicContact CD1-CE2 3.67Å; I227-F271 HydrophobicContact CD1-CZ 4.26Å |
| 228 | Q | 92.2 | Very high | 89.9 | Confident | 80 Ų | 80 | 46.7 Ų | 46.7 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60 | -46.6 | 173.2 | -162.8 | -177 | 12.1 | 0 | 0 | 111.7 | T226 F230 L231 Q232 V250 E251 H264 | T226-Q228 PolarHBondContact O-N 3.41Å; T226-Q228 PolarHBondContact OG1-N 2.8Å; Q228-F230 VanDerWaalsContact C-N 3.28Å; Q228-F230 PolarHBondContact O-N 2.9Å; Q228-L231 PolarHBondContact O-N 3.32Å; Q228-Q232 PolarHBondContact O-N 2.66Å; Q228-V250 HydrophobicContact CG-CG1 3.74Å; Q228-E251 PolarHBondContact NE2-OE1 3.16Å; Q228-H264 HydrophobicContact CB-CB 4.23Å; Q228-H264 PolarHBondContact N-O 2.77Å |
| 229 | N | 92.6 | Very high | 89.8 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.7 | -37.1 | 175.1 | -66.5 | 94.5 | 0 | 0 | 0 | 111.6 | N225 T226 Q232 K233 | N225-N229 HydrophobicContact CB-CB 4.32Å; T226-N229 WeakPolarHBondContact O-CB 3.41Å; T226-N229 PolarHBondContact O-N 3.23Å; T226-N229 VanDerWaalsContact O-N 3.15Å; T226-N229 PolarHBondContact OG1-N 2.76Å; T226-N229 PolarHBondContact OG1-OD1 3.19Å; N229-Q232 PolarHBondContact O-N 3.27Å; N229-K233 PolarHBondContact O-N 3.37Å; N229-K233 VanDerWaalsContact O-N 3.15Å |
| 230 | F | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.7 | -49.9 | 173.4 | 164.2 | -89.8 | 0 | 0 | 0 | 111.7 | I205 F207 M221 T226 I227 Q228 Q232 K233 A234 Y255 F268 V310 | I205-F230 HydrophobicContact CB-CD2 4.35Å; I205-F230 HydrophobicContact CB-CE2 3.92Å; I205-F230 HydrophobicContact CD1-CD2 3.93Å; I205-F230 HydrophobicContact CD1-CE2 4.33Å; I205-F230 HydrophobicContact CG2-CD2 4.23Å; I205-F230 HydrophobicContact CG2-CE2 3.58Å; I205-F230 HydrophobicContact CG2-CZ 4.19Å; F207-F230 HydrophobicContact CB-CZ 3.72Å; F207-F230 AromaticContact CD1-CE2 3.76Å; F207-F230 HydrophobicContact CD1-CE2 3.76Å; F207-F230 AromaticContact CD1-CZ 3.47Å; F207-F230 HydrophobicContact CD1-CZ 3.47Å; F207-F230 VanDerWaalsContact CD1-CZ 3.47Å; F207-F230 HydrophobicContact CD2-CZ 4.45Å; F207-F230 HydrophobicContact CE1-CE2 4.33Å; F207-F230 HydrophobicContact CE1-CZ 4.17Å; F207-F230 HydrophobicContact CG-CE2 4.36Å; F207-F230 AromaticContact CG-CZ 3.63Å; F207-F230 HydrophobicContact CG-CZ 3.63Å; M221-F230 HydrophobicContact CE-CB 3.81Å; M221-F230 HydrophobicContact CE-CD2 3.22Å; M221-F230 HydrophobicContact CE-CE2 4.09Å; M221-F230 HydrophobicContact CE-CG 3.92Å; M221-F230 HydrophobicContact SD-CB 3.54Å; M221-F230 VanDerWaalsContact SD-CB 3.54Å; M221-F230 HydrophobicContact SD-CD2 3.65Å; M221-F230 HydrophobicContact SD-CG 4.08Å; T226-F230 PolarHBondContact O-N 2.83Å; I227-F230 WeakPolarHBondContact O-CB 3.07Å; I227-F230 PolarHBondContact O-N 2.81Å; Q228-F230 VanDerWaalsContact C-N 3.28Å; Q228-F230 PolarHBondContact O-N 2.9Å; F230-Q232 VanDerWaalsContact C-N 3.27Å; F230-Q232 PolarHBondContact O-N 3.03Å; F230-K233 PolarHBondContact O-N 3.2Å; F230-A234 HydrophobicContact CE1-CB 4.38Å; F230-A234 HydrophobicContact CZ-CB 4.4Å; F230-A234 WeakPolarHBondContact O-CB 3.24Å; F230-A234 PolarHBondContact O-N 3.09Å; F230-Y255 HydrophobicContact CD1-CD2 4.27Å; F230-Y255 HydrophobicContact CD1-CE2 4.5Å; F230-Y255 AromaticContact CE1-CD2 3.54Å; F230-Y255 HydrophobicContact CE1-CD2 3.54Å; F230-Y255 AromaticContact CE1-CE2 3.63Å; F230-Y255 HydrophobicContact CE1-CE2 3.63Å; F230-Y255 HydrophobicContact CE1-CG 4.39Å; F230-Y255 HydrophobicContact CZ-CD2 4.24Å; F230-Y255 AromaticContact CZ-CE2 3.88Å; F230-Y255 HydrophobicContact CZ-CE2 3.88Å; F230-F268 HydrophobicContact CB-CE2 3.68Å; F230-F268 HydrophobicContact CB-CZ 3.78Å; F230-F268 HydrophobicContact CD1-CZ 4.37Å; F230-F268 HydrophobicContact CD2-CE2 4.31Å; F230-F268 AromaticContact CD2-CZ 3.89Å; F230-F268 HydrophobicContact CD2-CZ 3.89Å; F230-F268 HydrophobicContact CG-CE2 4.14Å; F230-F268 AromaticContact CG-CZ 3.75Å; F230-F268 HydrophobicContact CG-CZ 3.75Å; F230-V310 HydrophobicContact CE1-CG2 4.04Å; F230-V310 HydrophobicContact CZ-CG2 4.44Å |
| 231 | L | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -35.8 | 180 | -73 | 176.5 | 0 | 0 | 0 | 111.3 | I227 Q228 A234 L235 V250 L253 V310 | I227-L231 HydrophobicContact CG2-CD1 4.05Å; I227-L231 HydrophobicContact CG2-CG 4.12Å; I227-L231 WeakPolarHBondContact O-CB 3.39Å; I227-L231 VanDerWaalsContact O-CG 3.31Å; I227-L231 WeakPolarHBondContact O-CG 3.47Å; I227-L231 PolarHBondContact O-N 3.19Å; Q228-L231 PolarHBondContact O-N 3.32Å; L231-A234 PolarHBondContact O-N 3.1Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 3.11Å; L231-V250 HydrophobicContact CB-CG1 3.72Å; L231-L253 HydrophobicContact CD1-CB 4.16Å; L231-L253 HydrophobicContact CD2-CB 4.12Å; L231-L253 HydrophobicContact CD2-CD1 4.42Å; L231-V310 HydrophobicContact CD2-CG1 3.94Å; L231-V310 HydrophobicContact CD2-CG2 4.1Å |
| 232 | Q | 91 | Very high | 88.5 | Confident | 115 Ų | 115 | 55.5 Ų | 55.5 | 54% | 0.537 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 173.7 | -173.1 | 178.7 | -4.7 | 0 | 0 | 112.1 | Q228 N229 F230 L235 E236 V250 | Q228-Q232 PolarHBondContact O-N 2.66Å; N229-Q232 PolarHBondContact O-N 3.27Å; F230-Q232 VanDerWaalsContact C-N 3.27Å; F230-Q232 PolarHBondContact O-N 3.03Å; Q232-L235 PolarHBondContact O-N 3.37Å; Q232-E236 PolarHBondContact O-N 3.26Å; Q232-V250 HydrophobicContact CB-CG2 3.91Å; Q232-V250 HydrophobicContact CG-CG2 4.23Å |
| 233 | K | 89.9 | Confident | 87.8 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.8 | -75 | -176.6 | 170.3 | -171.3 | 0 | 111.8 | V219 M221 N229 F230 L235 E236 V237 | V219-K233 HydrophobicContact CG1-CB 4.07Å; V219-K233 HydrophobicContact CG1-CD 4.21Å; M221-K233 HydrophobicContact CE-CB 4.5Å; M221-K233 HydrophobicContact CE-CD 4.09Å; N229-K233 PolarHBondContact O-N 3.37Å; N229-K233 VanDerWaalsContact O-N 3.15Å; F230-K233 PolarHBondContact O-N 3.2Å; K233-L235 VanDerWaalsContact C-N 3.31Å; K233-L235 PolarHBondContact O-N 3.2Å; K233-E236 PolarHBondContact O-N 3.41Å; K233-V237 WeakPolarHBondContact O-CG2 3.3Å; K233-V237 PolarHBondContact O-N 3.13Å; K233-V237 VanDerWaalsContact O-N 3.12Å |
| 234 | A | 88.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F207 F230 L231 E236 V237 L238 | F207-A234 HydrophobicContact CD2-CB 4.47Å; F207-A234 HydrophobicContact CE1-CB 3.85Å; F207-A234 HydrophobicContact CE2-CB 3.78Å; F207-A234 HydrophobicContact CZ-CB 3.42Å; F207-A234 VanDerWaalsContact CZ-CB 3.42Å; F230-A234 HydrophobicContact CE1-CB 4.38Å; F230-A234 HydrophobicContact CZ-CB 4.4Å; F230-A234 WeakPolarHBondContact O-CB 3.24Å; F230-A234 PolarHBondContact O-N 3.09Å; L231-A234 PolarHBondContact O-N 3.1Å; A234-E236 PolarHBondContact O-N 3.19Å; A234-V237 PolarHBondContact O-N 3.32Å; A234-L238 WeakPolarHBondContact O-CB 3.5Å; A234-L238 WeakPolarHBondContact O-CG 3.45Å; A234-L238 PolarHBondContact O-N 3.28Å |
| 235 | L | 88.3 | Confident | 86.6 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -40.4 | 178 | -171.2 | 158.2 | 0 | 0 | 0 | 111.5 | L231 Q232 K233 V237 L238 R239 V250 L253 | L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 3.11Å; Q232-L235 PolarHBondContact O-N 3.37Å; K233-L235 VanDerWaalsContact C-N 3.31Å; K233-L235 PolarHBondContact O-N 3.2Å; L235-V237 VanDerWaalsContact C-N 3.34Å; L235-V237 PolarHBondContact O-N 3.27Å; L235-L238 PolarHBondContact O-N 3.33Å; L235-R239 HydrophobicContact CD2-CG 3.85Å; L235-R239 WeakPolarHBondContact O-CB 3.48Å; L235-R239 VanDerWaalsContact O-CG 3.29Å; L235-R239 WeakPolarHBondContact O-CG 3.41Å; L235-R239 PolarHBondContact O-N 2.85Å; L235-V250 HydrophobicContact CD1-CG2 4.39Å; L235-L253 HydrophobicContact CB-CD1 3.96Å; L235-L253 HydrophobicContact CD1-CD1 3.72Å; L235-L253 HydrophobicContact CD1-CG 4.44Å; L235-L253 HydrophobicContact CG-CD1 4.19Å |
| 236 | E | 87.8 | Confident | 85.7 | Confident | 130 Ų | 130 | 66.9 Ų | 66.9 | 61% | 0.607 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.2 | -41.5 | 174.4 | -172.3 | 178.3 | -177.4 | 0 | 0 | 112.5 | Q232 K233 A234 | Q232-E236 PolarHBondContact O-N 3.26Å; K233-E236 PolarHBondContact O-N 3.41Å; A234-E236 PolarHBondContact O-N 3.19Å |
| 237 | V | 87.8 | Confident | 85 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 29% | 0.285 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70 | -34.8 | 176.6 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | K217 V219 K233 A234 L235 | K217-V237 HydrophobicContact CD-CG1 3.37Å; K217-V237 PolarHBondContact NZ-O 3.31Å; V219-V237 HydrophobicContact CG2-CG2 4.04Å; K233-V237 WeakPolarHBondContact O-CG2 3.3Å; K233-V237 PolarHBondContact O-N 3.13Å; K233-V237 VanDerWaalsContact O-N 3.12Å; A234-V237 PolarHBondContact O-N 3.32Å; L235-V237 VanDerWaalsContact C-N 3.34Å; L235-V237 PolarHBondContact O-N 3.27Å |
| 238 | L | 86 | Confident | 84.5 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -78.3 | -29.5 | 178.7 | -68.9 | 170.9 | 0 | 0 | 0 | 112.9 | F207 Y209 K217 A234 L235 K240 D241 F242 L245 | F207-L238 HydrophobicContact CE2-CD1 4.13Å; F207-L238 HydrophobicContact CE2-CD2 4.44Å; F207-L238 HydrophobicContact CE2-CG 4.3Å; Y209-L238 HydrophobicContact CD2-CD1 3.81Å; Y209-L238 HydrophobicContact CG-CD1 3.93Å; Y209-L238 HydrophobicContact CG-CD2 4.08Å; K217-L238 HydrophobicContact CD-CD2 4.13Å; A234-L238 WeakPolarHBondContact O-CB 3.5Å; A234-L238 WeakPolarHBondContact O-CG 3.45Å; A234-L238 PolarHBondContact O-N 3.28Å; L235-L238 PolarHBondContact O-N 3.33Å; L238-K240 PolarHBondContact O-N 2.8Å; L238-K240 VanDerWaalsContact O-N 3.12Å; L238-D241 PolarHBondContact O-N 3.4Å; L238-F242 HydrophobicContact CD2-CD2 4.27Å; L238-F242 HydrophobicContact CD2-CE2 4.21Å; L238-F242 PolarHBondContact O-N 2.92Å; L238-L245 HydrophobicContact CB-CD1 3.62Å; L238-L245 HydrophobicContact CD1-CD1 4Å; L238-L245 HydrophobicContact CG-CD1 4.36Å |
| 239 | R | 85.3 | Confident | 84.2 | Confident | 109 Ų | 109 | 69.6 Ų | 69.6 | 41% | 0.411 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -22.8 | 176.5 | -89.1 | -179.8 | 176.1 | 175.9 | 9.3 | 113.9 | L235 | L235-R239 HydrophobicContact CD2-CG 3.85Å; L235-R239 WeakPolarHBondContact O-CB 3.48Å; L235-R239 VanDerWaalsContact O-CG 3.29Å; L235-R239 WeakPolarHBondContact O-CG 3.41Å; L235-R239 PolarHBondContact O-N 2.85Å |
| 240 | K | 83.6 | Confident | 83.9 | Confident | 172 Ų | 172 | 67.4 Ų | 67.4 | 75% | 0.748 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -33.9 | 174.8 | -65.4 | -177.2 | -178.7 | 178.6 | 0 | 112.1 | L238 | L238-K240 PolarHBondContact O-N 2.8Å; L238-K240 VanDerWaalsContact O-N 3.12Å |
| 241 | D | 81.7 | Confident | 83.6 | Confident | 97 Ų | 97 | 72.4 Ų | 72.4 | 52% | 0.519 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -31.9 | -172.6 | -61.7 | 11.3 | 0 | 0 | 0 | 111.7 | K217 L238 | K217-D241 WeakPolarHBondContact CE-OD2 3.4Å; K217-D241 IonicContact NZ-OD1 3.37Å; K217-D241 PolarHBondContact NZ-OD1 3.14Å; K217-D241 IonicContact NZ-OD2 2.62Å; K217-D241 PolarHBondContact NZ-OD2 2.86Å; L238-D241 PolarHBondContact O-N 3.4Å |
| 242 | F | 77.9 | Confident | 83.5 | Confident | 37 Ų | 37 | 75.3 Ų | 75.3 | 16% | 0.162 | 38% | 0.381 | C | S | . | . | trans | -123.9 | 110.2 | -176 | -56.9 | -82.4 | 0 | 0 | 0 | 110.8 | Y209 H215 L238 E244 L245 | Y209-F242 HydrophobicContact CD1-CD2 4.22Å; Y209-F242 AromaticContact CD1-CE2 3.97Å; Y209-F242 HydrophobicContact CD1-CE2 3.97Å; Y209-F242 HydrophobicContact CD1-CZ 4.22Å; Y209-F242 HydrophobicContact CE1-CD2 4.37Å; Y209-F242 HydrophobicContact CE1-CE2 4.43Å; Y209-F242 HydrophobicContact CE1-CG 4.42Å; H215-F242 HydrophobicContact CB-CE2 4.49Å; H215-F242 HydrophobicContact CB-CZ 4.42Å; H215-F242 AromaticContact CD2-CZ 3.46Å; H215-F242 VanDerWaalsContact CD2-CZ 3.46Å; H215-F242 WeakPolarHBondContact CD2-CZ 3.27Å; H215-F242 AromaticContact CE1-CZ 3.83Å; H215-F242 AromaticContact CG-CZ 3.67Å; H215-F242 AromaticContact ND1-CZ 3.91Å; H215-F242 AromaticContact NE2-CZ 3.58Å; L238-F242 HydrophobicContact CD2-CD2 4.27Å; L238-F242 HydrophobicContact CD2-CE2 4.21Å; L238-F242 PolarHBondContact O-N 2.92Å; F242-E244 PolarHBondContact O-N 2.97Å; F242-L245 HydrophobicContact CB-CB 4.48Å; F242-L245 HydrophobicContact CB-CD1 3.98Å; F242-L245 HydrophobicContact CB-CG 4.21Å; F242-L245 HydrophobicContact CD2-CD1 4.33Å; F242-L245 HydrophobicContact CG-CD1 4.42Å; F242-L245 PolarHBondContact O-N 2.9Å | ||
| 243 | S | 75.3 | Confident | 83.4 | Confident | 92 Ų | 92 | 69.9 Ų | 69.9 | 64% | 0.643 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -66.5 | -26.2 | 175.2 | 55 | 0 | 0 | 0 | 0 | 112.6 | L245 R246 | S243-L245 VanDerWaalsContact C-N 3.28Å; S243-L245 PolarHBondContact O-N 3.41Å; S243-R246 WeakPolarHBondContact O-CB 3.08Å; S243-R246 PolarHBondContact O-N 2.84Å |
| 244 | E | 74.6 | Confident | 83.4 | Confident | 153 Ų | 153 | 66.6 Ų | 66.6 | 72% | 0.715 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -63.1 | -33.1 | 178.4 | -60.2 | -177.3 | 179.5 | 0 | 0 | 112.5 | F242 R246 | F242-E244 PolarHBondContact O-N 2.97Å; E244-R246 PolarHBondContact O-N 2.74Å |
| 245 | L | 77.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -78.1 | -3.3 | 176.9 | -68.2 | 172.9 | 0 | 0 | 0 | 113.3 | Y209 L238 F242 S243 S247 A248 L253 L312 | Y209-L245 HydrophobicContact CD2-CD1 4.27Å; Y209-L245 HydrophobicContact CE1-CD1 4.12Å; Y209-L245 HydrophobicContact CE2-CD1 3.83Å; Y209-L245 HydrophobicContact CE2-CD2 4.02Å; Y209-L245 HydrophobicContact CE2-CG 4.44Å; L238-L245 HydrophobicContact CB-CD1 3.62Å; L238-L245 HydrophobicContact CD1-CD1 4Å; L238-L245 HydrophobicContact CG-CD1 4.36Å; F242-L245 HydrophobicContact CB-CB 4.48Å; F242-L245 HydrophobicContact CB-CD1 3.98Å; F242-L245 HydrophobicContact CB-CG 4.21Å; F242-L245 HydrophobicContact CD2-CD1 4.33Å; F242-L245 HydrophobicContact CG-CD1 4.42Å; F242-L245 PolarHBondContact O-N 2.9Å; S243-L245 VanDerWaalsContact C-N 3.28Å; S243-L245 PolarHBondContact O-N 3.41Å; L245-S247 VanDerWaalsContact C-N 3.35Å; L245-A248 HydrophobicContact CD2-CB 4.39Å; L245-A248 PolarHBondContact O-N 3.16Å; L245-L253 HydrophobicContact CD2-CD2 4.33Å; L245-L312 HydrophobicContact CD2-CD1 3.97Å; L245-L312 HydrophobicContact CD2-CD2 3.88Å; L245-L312 HydrophobicContact CD2-CG 4.05Å |
| 246 | R | 73.4 | Confident | 83.5 | Confident | 172 Ų | 172 | 66.4 Ų | 66.4 | 65% | 0.649 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -67.2 | -37.4 | 176.8 | -170.3 | 178.6 | -66.6 | -146 | -0.6 | 112 | S243 E244 | S243-R246 WeakPolarHBondContact O-CB 3.08Å; S243-R246 PolarHBondContact O-N 2.84Å; E244-R246 PolarHBondContact O-N 2.74Å |
| 247 | S | 78 | Confident | 83.4 | Confident | 119 Ų | 119 | 61 Ų | 61 | 83% | 0.832 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -84.7 | -18.7 | 179.3 | -169.2 | 0 | 0 | 0 | 0 | 113.2 | L245 | L245-S247 VanDerWaalsContact C-N 3.35Š|
| 248 | A | 81.4 | Confident | 83.1 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | trans | -78.7 | 139.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L245 L312 | L245-A248 HydrophobicContact CD2-CB 4.39Å; L245-A248 PolarHBondContact O-N 3.16Å; A248-L312 HydrophobicContact CB-CD2 4.02Å | ||
| 249 | G | 84.1 | Confident | 82.8 | Confident | 40 Ų | 40 | 60.8 Ų | 60.8 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | trans | -92.2 | 168.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | E251 Q252 | G249-E251 PolarHBondContact O-N 3.13Å; G249-Q252 PolarHBondContact O-N 3.2Å | ||
| 250 | V | 86.4 | Confident | 82.8 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 16% | 0.158 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -59.7 | -35.7 | 178.4 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | Q228 L231 Q232 L235 Q252 L253 | Q228-V250 HydrophobicContact CG-CG1 3.74Å; L231-V250 HydrophobicContact CB-CG1 3.72Å; Q232-V250 HydrophobicContact CB-CG2 3.91Å; Q232-V250 HydrophobicContact CG-CG2 4.23Å; L235-V250 HydrophobicContact CD1-CG2 4.39Å; V250-Q252 PolarHBondContact O-N 2.98Å; V250-L253 PolarHBondContact O-N 2.95Å |
| 251 | E | 87.4 | Confident | 83.1 | Confident | 105 Ų | 105 | 48.7 Ų | 48.7 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -63.6 | -23.3 | -179.9 | -59.3 | -49.8 | 134.2 | 0 | 0 | 114.3 | Q228 G249 H264 | Q228-E251 PolarHBondContact NE2-OE1 3.16Å; G249-E251 PolarHBondContact O-N 3.13Å; E251-H264 IonicContact OE2-ND1 2.71Å; E251-H264 PolarHBondContact OE2-ND1 2.95Å |
| 252 | Q | 88.9 | Confident | 83.5 | Confident | 61 Ų | 61 | 44.1 Ų | 44.1 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -88.4 | -8.4 | 178.5 | -164.4 | 60.3 | 0.1 | 0 | 0 | 112.5 | G249 V250 L312 R313 S314 | G249-Q252 PolarHBondContact O-N 3.2Å; V250-Q252 PolarHBondContact O-N 2.98Å; Q252-L312 HydrophobicContact CG-CD2 4.16Å; Q252-L312 CarbonylContact O-C 3.58Å; Q252-L312 WeakPolarHBondContact O-CA 3.11Å; Q252-R313 HydrophobicContact CG-CB 4.44Å; Q252-R313 WeakPolarHBondContact O-CB 3.24Å; Q252-R313 PolarHBondContact O-N 3.29Å; Q252-S314 PolarHBondContact NE2-OG 2.83Å |
| 253 | L | 88.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 153.4 | 171.2 | -67.5 | 178.6 | 0 | 0 | 0 | 110.3 | L231 L235 L245 V250 H264 V310 V311 L312 | L231-L253 HydrophobicContact CD1-CB 4.16Å; L231-L253 HydrophobicContact CD2-CB 4.12Å; L231-L253 HydrophobicContact CD2-CD1 4.42Å; L235-L253 HydrophobicContact CB-CD1 3.96Å; L235-L253 HydrophobicContact CD1-CD1 3.72Å; L235-L253 HydrophobicContact CD1-CG 4.44Å; L235-L253 HydrophobicContact CG-CD1 4.19Å; L245-L253 HydrophobicContact CD2-CD2 4.33Å; V250-L253 PolarHBondContact O-N 2.95Å; L253-H264 PolarHBondContact O-CE1 2.93Å; L253-H264 PolarHBondContact O-NE2 3.19Å; L253-V310 HydrophobicContact CB-CG1 4.48Å; L253-V310 HydrophobicContact CD1-CG1 4.18Å; L253-V310 HydrophobicContact CD2-CG1 4.01Å; L253-V310 HydrophobicContact CG-CG1 4.48Å; L253-V311 CarbonylContact C-O 3.55Å; L253-V311 WeakPolarHBondContact CA-O 3.32Å; L253-L312 HydrophobicContact CD2-CD2 3.77Å; L253-L312 HydrophobicContact CD2-CG 4.19Å |
| 254 | M | 89.4 | Confident | 84.7 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 138.9 | 173.1 | -66.2 | 179.5 | 60.6 | 0 | 0 | 108 | I256 I261 V310 V311 R313 Y316 | M254-I256 HydrophobicContact CB-CD1 4.29Å; M254-I261 HydrophobicContact CE-CB 4.33Å; M254-I261 HydrophobicContact CE-CD1 3.87Å; M254-I261 HydrophobicContact CE-CG1 4.1Å; M254-I261 HydrophobicContact CE-CG2 3.29Å; M254-V310 WeakPolarHBondContact O-CA 3.22Å; M254-V311 PolarHBondContact N-O 3.06Å; M254-V311 PolarHBondContact O-N 3.17Å; M254-R313 HydrophobicContact CG-CB 4.28Å; M254-R313 HydrophobicContact SD-CB 3.98Å; M254-R313 HydrophobicContact SD-CG 4.12Å; M254-Y316 HydrophobicContact CE-CD1 4.01Å; M254-Y316 HydrophobicContact CE-CE1 4.26Å; M254-Y316 HydrophobicContact SD-CD1 3.99Å; M254-Y316 HydrophobicContact SD-CG 4.36Å |
| 255 | Y | 90.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.8 | 173.9 | -175 | -109 | 0 | 0 | 0 | 109.7 | F207 I227 F230 K257 I262 F284 V310 | F207-Y255 HydrophobicContact CB-CE2 4.43Å; I227-Y255 HydrophobicContact CG2-CG 4.37Å; F230-Y255 HydrophobicContact CD1-CD2 4.27Å; F230-Y255 HydrophobicContact CD1-CE2 4.5Å; F230-Y255 AromaticContact CE1-CD2 3.54Å; F230-Y255 HydrophobicContact CE1-CD2 3.54Å; F230-Y255 AromaticContact CE1-CE2 3.63Å; F230-Y255 HydrophobicContact CE1-CE2 3.63Å; F230-Y255 HydrophobicContact CE1-CG 4.39Å; F230-Y255 HydrophobicContact CZ-CD2 4.24Å; F230-Y255 AromaticContact CZ-CE2 3.88Å; F230-Y255 HydrophobicContact CZ-CE2 3.88Å; Y255-K257 HydrophobicContact CE1-CB 3.96Å; Y255-I262 HydrophobicContact CD1-CB 4.11Å; Y255-I262 HydrophobicContact CD1-CD1 3.75Å; Y255-I262 HydrophobicContact CD1-CG1 3.98Å; Y255-I262 HydrophobicContact CE1-CD1 3.77Å; Y255-I262 HydrophobicContact CE1-CG1 4.45Å; Y255-I262 PolarHBondContact O-N 3.28Å; Y255-F284 HydrophobicContact CE1-CE1 4.49Å; Y255-F284 HydrophobicContact CE1-CZ 4.02Å; Y255-V310 HydrophobicContact CD2-CG2 3.97Å |
| 256 | I | 88.6 | Confident | 86 | Confident | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.2 | 179 | -58.8 | 101.9 | 0 | 0 | 0 | 109.2 | M254 L260 I261 G308 K309 V311 W328 | M254-I256 HydrophobicContact CB-CD1 4.29Å; I256-L260 CarbonylContact C-O 3.54Å; I256-L260 VanDerWaalsContact CA-O 3.3Å; I256-L260 WeakPolarHBondContact CA-O 3.45Å; I256-I261 HydrophobicContact CG1-CG1 3.85Å; I256-G308 CarbonylContact O-C 3.54Å; I256-G308 WeakPolarHBondContact O-CA 3.45Å; I256-K309 HydrophobicContact CB-CB 4.37Å; I256-K309 PolarHBondContact N-O 3.4Å; I256-K309 PolarHBondContact O-N 3.37Å; I256-V311 HydrophobicContact CD1-CB 3.83Å; I256-V311 HydrophobicContact CD1-CG2 3.45Å; I256-V311 VanDerWaalsContact CD1-CG2 3.45Å; I256-W328 HydrophobicContact CB-CD2 4.45Å; I256-W328 HydrophobicContact CD1-CD2 4.44Å; I256-W328 HydrophobicContact CD1-CE3 3.75Å; I256-W328 HydrophobicContact CD1-CH2 4.15Å; I256-W328 HydrophobicContact CD1-CZ3 3.59Å; I256-W328 HydrophobicContact CG1-CD2 4Å; I256-W328 HydrophobicContact CG1-CE3 3.69Å; I256-W328 HydrophobicContact CG1-CZ3 4.06Å; I256-W328 HydrophobicContact CG2-CD2 3.85Å; I256-W328 HydrophobicContact CG2-CE3 4.42Å; I256-W328 HydrophobicContact CG2-CG 3.92Å |
| 257 | K | 85.9 | Confident | 86.7 | Confident | 16 Ų | 16 | 34.2 Ų | 34.2 | 7% | 0.07 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 127.8 | 174.4 | -176.5 | 59.8 | -175 | -90.6 | 0 | 109.4 | Y255 D259 L260 I262 L283 F284 H306 | Y255-K257 HydrophobicContact CE1-CB 3.96Å; K257-D259 PolarHBondContact O-N 3.29Å; K257-D259 VanDerWaalsContact O-N 3.16Å; K257-L260 PolarHBondContact N-O 2.78Å; K257-L260 WeakPolarHBondContact O-CA 3.43Å; K257-L260 WeakPolarHBondContact O-CB 3.47Å; K257-L260 PolarHBondContact O-N 3.3Å; K257-I262 HydrophobicContact CB-CD1 3.95Å; K257-L283 HydrophobicContact CB-CD2 4.32Å; K257-L283 WeakPolarHBondContact CE-O 3.41Å; K257-L283 HydrophobicContact CG-CD2 4Å; K257-L283 WeakPolarHBondContact CG-O 3.49Å; K257-L283 PolarHBondContact NZ-O 2.79Å; K257-F284 HydrophobicContact CG-CZ 4.43Å; K257-H306 WeakPolarHBondContact CD-O 3.31Å; K257-H306 WeakPolarHBondContact CE-O 3.47Å |
| 258 | E | 79.6 | Confident | 87.1 | Confident | 14 Ų | 14 | 28.6 Ų | 28.6 | 7% | 0.065 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 44.3 | -179.5 | -58.2 | -60.1 | 154 | 0 | 0 | 114.1 | L260 S280 L283 H306 | E258-L260 VanDerWaalsContact C-N 3.25Å; E258-L260 PolarHBondContact O-N 2.81Å; E258-S280 WeakPolarHBondContact OE2-CB 3.36Å; E258-L283 HydrophobicContact CB-CD2 3.95Å; E258-L283 HydrophobicContact CG-CD2 4.29Å; E258-H306 WeakPolarHBondContact OE1-CA 3.3Å; E258-H306 VanDerWaalsContact OE1-CB 3.28Å; E258-H306 WeakPolarHBondContact OE1-CB 3.32Å; E258-H306 IonicContact OE1-CG 3.95Å; E258-H306 PolarHBondContact OE1-N 3.11Å; E258-H306 IonicContact OE1-ND1 2.64Å; E258-H306 PolarHBondContact OE1-ND1 3.14Å; E258-H306 IonicContact OE2-CE1 3.2Å; E258-H306 IonicContact OE2-CG 3.62Å; E258-H306 IonicContact OE2-ND1 3.9Å; E258-H306 PolarHBondContact OE2-ND1 3.37Å |
| 259 | D | 80.8 | Confident | 87.3 | Confident | 29 Ų | 29 | 28.5 Ų | 28.5 | 16% | 0.155 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 14.3 | -176.5 | -50.3 | -35.1 | 0 | 0 | 0 | 115.9 | K257 R327 W328 E329 | K257-D259 PolarHBondContact O-N 3.29Å; K257-D259 VanDerWaalsContact O-N 3.16Å; D259-R327 HydrophobicContact CB-CG 4.15Å; D259-R327 VanDerWaalsContact OD2-CD 3.24Å; D259-R327 WeakPolarHBondContact OD2-CD 3.09Å; D259-R327 IonicContact OD2-NE 3.79Å; D259-R327 PolarHBondContact OD2-NE 3.39Å; D259-R327 VanDerWaalsContact OD2-NE 3.09Å; D259-W328 CarbonylContact O-C 3.52Å; D259-W328 VanDerWaalsContact O-CA 3.24Å; D259-W328 WeakPolarHBondContact O-CA 3.29Å; D259-E329 PolarHBondContact O-N 3.12Å |
| 260 | L | 85.4 | Confident | 87.4 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 122.6 | 172.3 | -66.9 | 168.9 | 0 | 0 | 0 | 110.3 | I256 K257 E258 I262 L283 E329 Y331 | I256-L260 CarbonylContact C-O 3.54Å; I256-L260 VanDerWaalsContact CA-O 3.3Å; I256-L260 WeakPolarHBondContact CA-O 3.45Å; K257-L260 PolarHBondContact N-O 2.78Å; K257-L260 WeakPolarHBondContact O-CA 3.43Å; K257-L260 WeakPolarHBondContact O-CB 3.47Å; K257-L260 PolarHBondContact O-N 3.3Å; E258-L260 VanDerWaalsContact C-N 3.25Å; E258-L260 PolarHBondContact O-N 2.81Å; L260-I262 PolarHBondContact O-N 2.91Å; L260-L283 HydrophobicContact CD1-CD1 4.16Å; L260-L283 HydrophobicContact CD1-CD2 3.93Å; L260-L283 HydrophobicContact CD1-CG 4.41Å; L260-E329 CarbonylContact C-O 3.57Å; L260-E329 WeakPolarHBondContact CA-O 3.37Å; L260-E329 HydrophobicContact CD2-CB 4.2Å; L260-Y331 HydrophobicContact CD1-CD2 4.15Å |
| 261 | I | 89.3 | Confident | 87.2 | Confident | 24 Ų | 24 | 28.7 Ų | 28.7 | 12% | 0.123 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 113.7 | 172.8 | -64.8 | 163.6 | 0 | 0 | 0 | 107.1 | M254 I256 Y316 W328 E329 Y331 | M254-I261 HydrophobicContact CE-CB 4.33Å; M254-I261 HydrophobicContact CE-CD1 3.87Å; M254-I261 HydrophobicContact CE-CG1 4.1Å; M254-I261 HydrophobicContact CE-CG2 3.29Å; I256-I261 HydrophobicContact CG1-CG1 3.85Å; I261-Y316 HydrophobicContact CD1-CE1 4.04Å; I261-Y316 HydrophobicContact CD1-CE2 4.14Å; I261-Y316 WeakPolarHBondContact CD1-OH 3.5Å; I261-W328 HydrophobicContact CD1-CB 3.9Å; I261-W328 HydrophobicContact CG1-CB 3.95Å; I261-E329 PolarHBondContact N-O 2.81Å; I261-Y331 WeakPolarHBondContact O-CB 3.46Å; I261-Y331 PolarHBondContact O-N 3.12Å |
| 262 | I | 89.8 | Confident | 86.8 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.8 | -176.9 | -45.4 | -167.6 | 0 | 0 | 0 | 110.8 | I227 Y255 K257 L260 H266 F271 F284 | I227-I262 HydrophobicContact CD1-CB 3.73Å; I227-I262 HydrophobicContact CD1-CD1 4.36Å; I227-I262 HydrophobicContact CD1-CG2 3.1Å; Y255-I262 HydrophobicContact CD1-CB 4.11Å; Y255-I262 HydrophobicContact CD1-CD1 3.75Å; Y255-I262 HydrophobicContact CD1-CG1 3.98Å; Y255-I262 HydrophobicContact CE1-CD1 3.77Å; Y255-I262 HydrophobicContact CE1-CG1 4.45Å; Y255-I262 PolarHBondContact O-N 3.28Å; K257-I262 HydrophobicContact CB-CD1 3.95Å; L260-I262 PolarHBondContact O-N 2.91Å; I262-H266 HydrophobicContact CG2-CB 4.42Å; I262-F271 HydrophobicContact CB-CZ 4.5Å; I262-F271 HydrophobicContact CD1-CE1 4.48Å; I262-F271 HydrophobicContact CD1-CE2 4.45Å; I262-F271 HydrophobicContact CD1-CZ 4.29Å; I262-F271 HydrophobicContact CG2-CE1 3.95Å; I262-F271 HydrophobicContact CG2-CE2 3.65Å; I262-F271 HydrophobicContact CG2-CZ 3.12Å; I262-F284 HydrophobicContact CD1-CE2 4.12Å; I262-F284 HydrophobicContact CD1-CZ 4.13Å |
| 263 | P | 90.3 | Very high | 86.4 | Confident | 38 Ų | 38 | 26.9 Ų | 26.9 | 25% | 0.247 | 14% | 0.14 | C | C | . | . | trans | -63.7 | 152.8 | 175.1 | -22.3 | 32.7 | 0 | 0 | 0 | 114 | H265 H266 | P263-H265 VanDerWaalsContact C-N 3.29Å; P263-H265 WeakPolarHBondContact CB-CE1 3.31Å; P263-H265 WeakPolarHBondContact CB-ND1 3.44Å; P263-H265 PolarHBondContact O-N 3.38Å; P263-H266 PolarHBondContact O-N 2.75Å | ||
| 264 | H | 89.7 | Confident | 85.8 | Confident | 27 Ų | 27 | 30.9 Ų | 30.9 | 13% | 0.125 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -25.4 | -175.9 | -62.4 | 179 | 0 | 0 | 0 | 114.2 | Q228 E251 L253 | Q228-H264 HydrophobicContact CB-CB 4.23Å; Q228-H264 PolarHBondContact N-O 2.77Å; E251-H264 IonicContact OE2-ND1 2.71Å; E251-H264 PolarHBondContact OE2-ND1 2.95Å; L253-H264 PolarHBondContact O-CE1 2.93Å; L253-H264 PolarHBondContact O-NE2 3.19Å |
| 265 | H | 88.6 | Confident | 85 | Confident | 138 Ų | 138 | 38.3 Ų | 38.3 | 64% | 0.639 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -13 | -175.5 | 59.9 | -91.8 | 0 | 0 | 0 | 113.8 | P263 | P263-H265 VanDerWaalsContact C-N 3.29Å; P263-H265 WeakPolarHBondContact CB-CE1 3.31Å; P263-H265 WeakPolarHBondContact CB-ND1 3.44Å; P263-H265 PolarHBondContact O-N 3.38Å |
| 266 | H | 88.7 | Confident | 83.8 | Confident | 30 Ų | 30 | 38.7 Ų | 38.7 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | trans | -78.2 | 145.5 | 177.8 | -77.5 | 60.7 | 0 | 0 | 0 | 111 | I227 I262 P263 F271 Y331 | I227-H266 HydrophobicContact CD1-CB 4.29Å; I227-H266 WeakPolarHBondContact CG1-O 3.39Å; I227-H266 PolarHBondContact N-O 2.86Å; I262-H266 HydrophobicContact CG2-CB 4.42Å; P263-H266 PolarHBondContact O-N 2.75Å; H266-F271 HydrophobicContact CB-CE2 3.44Å; H266-F271 VanDerWaalsContact CB-CE2 3.44Å; H266-F271 HydrophobicContact CB-CZ 3.38Å; H266-F271 AromaticContact CD2-CE1 3.96Å; H266-F271 AromaticContact CD2-CZ 3.47Å; H266-F271 VanDerWaalsContact CD2-CZ 3.47Å; H266-F271 WeakPolarHBondContact CD2-CZ 3.31Å; H266-F271 AromaticContact CG-CZ 3.66Å; H266-Y331 AromaticContact NE2-CD1 3.99Å; H266-Y331 AromaticContact NE2-CE1 3.81Å | ||
| 267 | S | 89.6 | Confident | 82.7 | Confident | 13 Ų | 13 | 45.2 Ų | 45.2 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -97.8 | 155.7 | 173 | 71.9 | 0 | 0 | 0 | 0 | 111.6 | Y269 D270 F271 | S267-Y269 PolarHBondContact O-N 3.27Å; S267-Y269 WeakPolarHBondContact OG-CB 3.44Å; S267-D270 WeakPolarHBondContact CB-OD2 3.44Å; S267-D270 PolarHBondContact N-OD2 3.46Å; S267-D270 PolarHBondContact O-N 2.9Å; S267-D270 VanDerWaalsContact O-N 3.16Å; S267-D270 PolarHBondContact OG-N 3.35Å; S267-D270 PolarHBondContact OG-OD1 2.85Å; S267-D270 PolarHBondContact OG-OD2 2.81Å; S267-F271 WeakPolarHBondContact O-CD2 3.49Å; S267-F271 WeakPolarHBondContact O-CE2 3.39Å |
| 268 | F | 86.1 | Confident | 81.8 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -32.6 | 172.7 | -64.4 | -77.7 | 0 | 0 | 0 | 111.3 | I205 M221 K223 N225 I227 F230 D270 F271 I272 F284 F286 | I205-F268 HydrophobicContact CD1-CD1 3.78Å; I205-F268 HydrophobicContact CD1-CD2 3.87Å; I205-F268 HydrophobicContact CD1-CE1 3.45Å; I205-F268 VanDerWaalsContact CD1-CE1 3.45Å; I205-F268 HydrophobicContact CD1-CE2 3.56Å; I205-F268 HydrophobicContact CD1-CG 3.98Å; I205-F268 HydrophobicContact CD1-CZ 3.34Å; M221-F268 HydrophobicContact SD-CD2 4.46Å; M221-F268 HydrophobicContact SD-CE2 3.86Å; K223-F268 CarbonylContact O-C 3.44Å; K223-F268 WeakPolarHBondContact O-CB 3.27Å; K223-F268 PolarHBondContact O-N 2.81Å; N225-F268 WeakPolarHBondContact O-CD2 3.29Å; N225-F268 PolarHBondContact O-N 2.91Å; I227-F268 HydrophobicContact CG1-CE1 4.3Å; I227-F268 HydrophobicContact CG1-CE2 4.27Å; I227-F268 HydrophobicContact CG1-CZ 3.94Å; F230-F268 HydrophobicContact CB-CE2 3.68Å; F230-F268 HydrophobicContact CB-CZ 3.78Å; F230-F268 HydrophobicContact CD1-CZ 4.37Å; F230-F268 HydrophobicContact CD2-CE2 4.31Å; F230-F268 AromaticContact CD2-CZ 3.89Å; F230-F268 HydrophobicContact CD2-CZ 3.89Å; F230-F268 HydrophobicContact CG-CE2 4.14Å; F230-F268 AromaticContact CG-CZ 3.75Å; F230-F268 HydrophobicContact CG-CZ 3.75Å; F268-D270 VanDerWaalsContact C-N 3.32Å; F268-D270 PolarHBondContact O-N 3.06Å; F268-F271 PolarHBondContact O-N 3.4Å; F268-I272 WeakPolarHBondContact O-CD1 3.43Å; F268-I272 VanDerWaalsContact O-CG1 3.22Å; F268-I272 WeakPolarHBondContact O-CG1 3.22Å; F268-I272 PolarHBondContact O-N 3.04Å; F268-I272 VanDerWaalsContact O-N 3.14Å; F268-F284 AromaticContact CD1-CE1 3.86Å; F268-F284 HydrophobicContact CD1-CE1 3.86Å; F268-F284 HydrophobicContact CD1-CE2 4.34Å; F268-F284 AromaticContact CD1-CZ 3.73Å; F268-F284 HydrophobicContact CD1-CZ 3.73Å; F268-F284 AromaticContact CE1-CE1 3.85Å; F268-F284 HydrophobicContact CE1-CE1 3.85Å; F268-F284 AromaticContact CE1-CZ 3.73Å; F268-F284 HydrophobicContact CE1-CZ 3.73Å; F268-F286 HydrophobicContact CD1-CZ 4.36Å |
| 269 | Y | 86.1 | Confident | 81.1 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.1 | -45.8 | 173.6 | -178.3 | -99.1 | 0 | 0 | 0 | 112.4 | Q195 I198 K199 K223 S267 F271 I272 V273 | Q195-Y269 PolarHBondContact NE2-OH 3.44Å; Q195-Y269 VanDerWaalsContact OE1-CZ 3.23Å; Q195-Y269 PolarHBondContact OE1-OH 3.26Å; I198-Y269 HydrophobicContact CB-CD2 4.43Å; I198-Y269 HydrophobicContact CB-CE2 3.86Å; I198-Y269 HydrophobicContact CG2-CD2 3.85Å; I198-Y269 HydrophobicContact CG2-CE2 3.51Å; K199-Y269 HydrophobicContact CG-CD1 4.28Å; K199-Y269 HydrophobicContact CG-CD2 3.7Å; K199-Y269 HydrophobicContact CG-CE2 4.19Å; K199-Y269 HydrophobicContact CG-CG 3.78Å; K223-Y269 PolarHBondContact O-N 3.29Å; S267-Y269 PolarHBondContact O-N 3.27Å; S267-Y269 WeakPolarHBondContact OG-CB 3.44Å; Y269-F271 VanDerWaalsContact C-N 3.32Å; Y269-F271 PolarHBondContact O-N 3.24Å; Y269-I272 WeakPolarHBondContact O-CB 3Å; Y269-I272 PolarHBondContact O-N 3.41Å; Y269-I272 VanDerWaalsContact O-N 3.11Å; Y269-V273 HydrophobicContact CD1-CG2 4.09Å; Y269-V273 HydrophobicContact CD2-CG2 4.34Å; Y269-V273 HydrophobicContact CE1-CG2 3.48Å; Y269-V273 VanDerWaalsContact CE1-CG2 3.48Å; Y269-V273 HydrophobicContact CE2-CG2 3.76Å; Y269-V273 HydrophobicContact CG-CG2 4.46Å; Y269-V273 WeakPolarHBondContact O-CG2 3.47Å; Y269-V273 PolarHBondContact O-N 3.19Å; Y269-V273 WeakPolarHBondContact OH-CG2 3.28Å |
| 270 | D | 85.5 | Confident | 80 | Confident | 66 Ų | 66 | 45 Ų | 45 | 35% | 0.353 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.6 | -40.4 | -178.1 | -56.4 | -39.9 | 0 | 0 | 0 | 111.7 | S267 F268 I272 T274 | S267-D270 WeakPolarHBondContact CB-OD2 3.44Å; S267-D270 PolarHBondContact N-OD2 3.46Å; S267-D270 PolarHBondContact O-N 2.9Å; S267-D270 VanDerWaalsContact O-N 3.16Å; S267-D270 PolarHBondContact OG-N 3.35Å; S267-D270 PolarHBondContact OG-OD1 2.85Å; S267-D270 PolarHBondContact OG-OD2 2.81Å; F268-D270 VanDerWaalsContact C-N 3.32Å; F268-D270 PolarHBondContact O-N 3.06Å; D270-I272 VanDerWaalsContact C-N 3.31Å; D270-I272 PolarHBondContact O-N 3.42Å; D270-T274 WeakPolarHBondContact O-CB 3.06Å; D270-T274 VanDerWaalsContact O-CG2 3.29Å; D270-T274 WeakPolarHBondContact O-CG2 3.01Å; D270-T274 PolarHBondContact O-N 3.15Å; D270-T274 PolarHBondContact O-OG1 3.26Å |
| 271 | F | 81.4 | Confident | 78.9 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.4 | -30.8 | 177 | -62.1 | -68.8 | 0 | 0 | 0 | 113.1 | I227 I262 H266 S267 F268 Y269 T274 K275 A276 L283 F284 Y331 | I227-F271 HydrophobicContact CD1-CE2 3.67Å; I227-F271 HydrophobicContact CD1-CZ 4.26Å; I262-F271 HydrophobicContact CB-CZ 4.5Å; I262-F271 HydrophobicContact CD1-CE1 4.48Å; I262-F271 HydrophobicContact CD1-CE2 4.45Å; I262-F271 HydrophobicContact CD1-CZ 4.29Å; I262-F271 HydrophobicContact CG2-CE1 3.95Å; I262-F271 HydrophobicContact CG2-CE2 3.65Å; I262-F271 HydrophobicContact CG2-CZ 3.12Å; H266-F271 HydrophobicContact CB-CE2 3.44Å; H266-F271 VanDerWaalsContact CB-CE2 3.44Å; H266-F271 HydrophobicContact CB-CZ 3.38Å; H266-F271 AromaticContact CD2-CE1 3.96Å; H266-F271 AromaticContact CD2-CZ 3.47Å; H266-F271 VanDerWaalsContact CD2-CZ 3.47Å; H266-F271 WeakPolarHBondContact CD2-CZ 3.31Å; H266-F271 AromaticContact CG-CZ 3.66Å; S267-F271 WeakPolarHBondContact O-CD2 3.49Å; S267-F271 WeakPolarHBondContact O-CE2 3.39Å; F268-F271 PolarHBondContact O-N 3.4Å; Y269-F271 VanDerWaalsContact C-N 3.32Å; Y269-F271 PolarHBondContact O-N 3.24Å; F271-T274 WeakPolarHBondContact CA-OG1 3.41Å; F271-T274 PolarHBondContact O-OG1 3.33Å; F271-K275 WeakPolarHBondContact O-CA 3.44Å; F271-K275 PolarHBondContact O-N 2.8Å; F271-K275 VanDerWaalsContact O-N 3.16Å; F271-A276 HydrophobicContact CD1-CB 3.96Å; F271-A276 PolarHBondContact O-N 2.83Å; F271-A276 VanDerWaalsContact O-N 3.13Å; F271-L283 HydrophobicContact CD1-CD1 4.22Å; F271-F284 HydrophobicContact CB-CD2 3.68Å; F271-F284 HydrophobicContact CB-CE2 3.85Å; F271-F284 AromaticContact CD2-CE2 3.9Å; F271-F284 HydrophobicContact CD2-CE2 3.9Å; F271-F284 HydrophobicContact CG-CD2 4.18Å; F271-F284 AromaticContact CG-CE2 3.83Å; F271-F284 HydrophobicContact CG-CE2 3.83Å; F271-Y331 HydrophobicContact CD1-CE1 4.21Å; F271-Y331 HydrophobicContact CD1-CE2 4.31Å; F271-Y331 AromaticContact CD1-CZ 3.9Å; F271-Y331 AromaticContact CE1-CD1 3.75Å; F271-Y331 HydrophobicContact CE1-CD1 3.75Å; F271-Y331 HydrophobicContact CE1-CD2 4.26Å; F271-Y331 AromaticContact CE1-CE1 3.39Å; F271-Y331 HydrophobicContact CE1-CE1 3.39Å; F271-Y331 AromaticContact CE1-CE2 3.95Å; F271-Y331 HydrophobicContact CE1-CE2 3.95Å; F271-Y331 HydrophobicContact CE1-CG 4.16Å; F271-Y331 AromaticContact CE1-CZ 3.5Å; F271-Y331 VanDerWaalsContact CE1-CZ 3.5Å; F271-Y331 HydrophobicContact CZ-CD1 4.3Å; F271-Y331 HydrophobicContact CZ-CE1 4.22Å |
| 272 | I | 79.9 | Confident | 78 | Confident | 42 Ų | 42 | 46.9 Ų | 46.9 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.7 | -47.6 | 177.9 | -68.1 | 169.7 | 0 | 0 | 0 | 110.5 | I203 K223 F268 Y269 D270 K275 F286 | I203-I272 HydrophobicContact CD1-CD1 3.84Å; K223-I272 HydrophobicContact CB-CD1 4.23Å; K223-I272 HydrophobicContact CD-CD1 3.7Å; K223-I272 HydrophobicContact CG-CD1 4.36Å; F268-I272 WeakPolarHBondContact O-CD1 3.43Å; F268-I272 VanDerWaalsContact O-CG1 3.22Å; F268-I272 WeakPolarHBondContact O-CG1 3.22Å; F268-I272 PolarHBondContact O-N 3.04Å; F268-I272 VanDerWaalsContact O-N 3.14Å; Y269-I272 WeakPolarHBondContact O-CB 3Å; Y269-I272 PolarHBondContact O-N 3.41Å; Y269-I272 VanDerWaalsContact O-N 3.11Å; D270-I272 VanDerWaalsContact C-N 3.31Å; D270-I272 PolarHBondContact O-N 3.42Å; I272-K275 WeakPolarHBondContact O-CG 3.48Å; I272-K275 PolarHBondContact O-N 3.24Å; I272-F286 HydrophobicContact CD1-CD2 3.36Å; I272-F286 HydrophobicContact CD1-CE2 3.68Å; I272-F286 HydrophobicContact CD1-CG 4.27Å; I272-F286 HydrophobicContact CG1-CD2 3.47Å; I272-F286 VanDerWaalsContact CG1-CD2 3.47Å; I272-F286 HydrophobicContact CG1-CE2 3.79Å |
| 273 | V | 80.6 | Confident | 76.9 | Confident | 86 Ų | 86 | 46.9 Ų | 46.9 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.9 | -46 | -179.8 | 174.5 | 0 | 0 | 0 | 0 | 111 | Y269 K275 | Y269-V273 HydrophobicContact CD1-CG2 4.09Å; Y269-V273 HydrophobicContact CD2-CG2 4.34Å; Y269-V273 HydrophobicContact CE1-CG2 3.48Å; Y269-V273 VanDerWaalsContact CE1-CG2 3.48Å; Y269-V273 HydrophobicContact CE2-CG2 3.76Å; Y269-V273 HydrophobicContact CG-CG2 4.46Å; Y269-V273 WeakPolarHBondContact O-CG2 3.47Å; Y269-V273 PolarHBondContact O-N 3.19Å; Y269-V273 WeakPolarHBondContact OH-CG2 3.28Å; V273-K275 PolarHBondContact O-N 3.05Å |
| 274 | T | 76.4 | Confident | 75.8 | Confident | 84 Ų | 84 | 46.1 Ų | 46.1 | 52% | 0.515 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -10.3 | 179.1 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | D270 F271 A276 | D270-T274 WeakPolarHBondContact O-CB 3.06Å; D270-T274 VanDerWaalsContact O-CG2 3.29Å; D270-T274 WeakPolarHBondContact O-CG2 3.01Å; D270-T274 PolarHBondContact O-N 3.15Å; D270-T274 PolarHBondContact O-OG1 3.26Å; F271-T274 WeakPolarHBondContact CA-OG1 3.41Å; F271-T274 PolarHBondContact O-OG1 3.33Å; T274-A276 PolarHBondContact O-N 2.91Å |
| 275 | K | 71.3 | Confident | 74.3 | Confident | 168 Ų | 168 | 48 Ų | 48 | 73% | 0.73 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.9 | 47.1 | -170.2 | -63.2 | -174.1 | 179.2 | -175.5 | 0 | 110.4 | F271 I272 V273 R277 | F271-K275 WeakPolarHBondContact O-CA 3.44Å; F271-K275 PolarHBondContact O-N 2.8Å; F271-K275 VanDerWaalsContact O-N 3.16Å; I272-K275 WeakPolarHBondContact O-CG 3.48Å; I272-K275 PolarHBondContact O-N 3.24Å; V273-K275 PolarHBondContact O-N 3.05Å; K275-R277 PolarHBondContact O-N 3.49Å; K275-R277 VanDerWaalsContact O-N 3.14Å |
| 276 | A | 67.1 | Low | 72.7 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | trans | -54.6 | 122.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F271 T274 L283 Y331 | F271-A276 HydrophobicContact CD1-CB 3.96Å; F271-A276 PolarHBondContact O-N 2.83Å; F271-A276 VanDerWaalsContact O-N 3.13Å; T274-A276 PolarHBondContact O-N 2.91Å; A276-L283 HydrophobicContact CB-CD1 3.77Å; A276-L283 HydrophobicContact CB-CG 4.37Å; A276-L283 WeakPolarHBondContact O-CB 3.27Å; A276-L283 PolarHBondContact O-N 3.2Å; A276-Y331 HydrophobicContact CB-CE2 4.07Å; A276-Y331 VanDerWaalsContact CB-OH 3.31Å; A276-Y331 WeakPolarHBondContact CB-OH 3.21Å | ||
| 277 | R | 65.6 | Low | 70.4 | Confident | 140 Ų | 140 | 48.6 Ų | 48.6 | 53% | 0.528 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 127.5 | 177.3 | -76.5 | -175.4 | 161 | 157.1 | -5 | 109.3 | K275 | K275-R277 PolarHBondContact O-N 3.49Å; K275-R277 VanDerWaalsContact O-N 3.14Å |
| 278 | G | 66.9 | Low | 68 | Low | 3 Ų | 3 | 53.8 Ų | 53.8 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -171.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | S280 G281 W337 | G278-S280 PolarHBondContact O-N 2.71Å; G278-G281 PolarHBondContact N-O 3.36Å; G278-G281 PolarHBondContact O-N 3Å; G278-W337 WeakPolarHBondContact O-CB 3.25Å |
| 279 | K | 64.9 | Low | 65.6 | Low | 13 Ų | 13 | 61.3 Ų | 61.3 | 6% | 0.057 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.8 | -178.7 | -42.5 | -161.3 | -176.7 | 179 | 0 | 113.2 | R327 E329 W337 | K279-R327 PolarHBondContact NZ-O 3.2Å; K279-E329 IonicContact NZ-OE1 3.94Å; K279-E329 PolarHBondContact NZ-OE1 3.46Å; K279-E329 IonicContact NZ-OE2 3Å; K279-W337 HydrophobicContact CB-CE3 3.95Å; K279-W337 HydrophobicContact CB-CZ3 4.05Å; K279-W337 HydrophobicContact CD-CE3 4.23Å; K279-W337 HydrophobicContact CD-CH2 3.51Å; K279-W337 HydrophobicContact CD-CZ2 4.2Å; K279-W337 HydrophobicContact CD-CZ3 3.51Å; K279-W337 HydrophobicContact CG-CD2 3.98Å; K279-W337 HydrophobicContact CG-CE3 3.57Å; K279-W337 HydrophobicContact CG-CH2 3.59Å; K279-W337 HydrophobicContact CG-CZ2 3.93Å; K279-W337 HydrophobicContact CG-CZ3 3.37Å |
| 280 | S | 57.8 | Low | 63.1 | Low | 38 Ų | 38 | 67.3 Ų | 67.3 | 27% | 0.266 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 12 | -175 | -165.3 | 0 | 0 | 0 | 0 | 114 | E258 G278 | E258-S280 WeakPolarHBondContact OE2-CB 3.36Å; G278-S280 PolarHBondContact O-N 2.71Å |
| 281 | G | 62.4 | Low | 60.7 | Low | 21 Ų | 21 | 70.9 Ų | 70.9 | 22% | 0.216 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 116.3 | -163.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G278 L283 | G278-G281 PolarHBondContact N-O 3.36Å; G278-G281 PolarHBondContact O-N 3Å; G281-L283 PolarHBondContact O-N 3.17Å |
| 282 | P | 68.8 | Low | 58.8 | Low | 46 Ų | 46 | 77.3 Ų | 77.3 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 130.5 | 179.4 | -21.7 | 32.8 | 0 | 0 | 0 | 111.9 | F284 | P282-F284 VanDerWaalsContact C-N 3.25Å; P282-F284 PolarHBondContact O-N 2.71Å |
| 283 | L | 67.8 | Low | 56.8 | Low | 1 Ų | 1 | 81.9 Ų | 81.9 | 1% | 0.005 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -63.7 | -34.5 | 179.2 | -78.4 | -178.1 | 0 | 0 | 0 | 112.2 | K257 E258 L260 F271 A276 G281 Y331 | K257-L283 HydrophobicContact CB-CD2 4.32Å; K257-L283 WeakPolarHBondContact CE-O 3.41Å; K257-L283 HydrophobicContact CG-CD2 4Å; K257-L283 WeakPolarHBondContact CG-O 3.49Å; K257-L283 PolarHBondContact NZ-O 2.79Å; E258-L283 HydrophobicContact CB-CD2 3.95Å; E258-L283 HydrophobicContact CG-CD2 4.29Å; L260-L283 HydrophobicContact CD1-CD1 4.16Å; L260-L283 HydrophobicContact CD1-CD2 3.93Å; L260-L283 HydrophobicContact CD1-CG 4.41Å; F271-L283 HydrophobicContact CD1-CD1 4.22Å; A276-L283 HydrophobicContact CB-CD1 3.77Å; A276-L283 HydrophobicContact CB-CG 4.37Å; A276-L283 WeakPolarHBondContact O-CB 3.27Å; A276-L283 PolarHBondContact O-N 3.2Å; G281-L283 PolarHBondContact O-N 3.17Å; L283-Y331 HydrophobicContact CD1-CD2 4.02Å; L283-Y331 HydrophobicContact CD1-CE2 3.75Å |
| 284 | F | 67.5 | Low | 55.1 | Low | 23 Ų | 23 | 85.4 Ų | 85.4 | 10% | 0.101 | 44% | 0.441 | C | S | . | . | trans | -141.8 | 116.7 | 176 | -59.5 | -86.3 | 0 | 0 | 0 | 110.6 | Y255 K257 I262 F268 F271 P282 F286 | Y255-F284 HydrophobicContact CE1-CE1 4.49Å; Y255-F284 HydrophobicContact CE1-CZ 4.02Å; K257-F284 HydrophobicContact CG-CZ 4.43Å; I262-F284 HydrophobicContact CD1-CE2 4.12Å; I262-F284 HydrophobicContact CD1-CZ 4.13Å; F268-F284 AromaticContact CD1-CE1 3.86Å; F268-F284 HydrophobicContact CD1-CE1 3.86Å; F268-F284 HydrophobicContact CD1-CE2 4.34Å; F268-F284 AromaticContact CD1-CZ 3.73Å; F268-F284 HydrophobicContact CD1-CZ 3.73Å; F268-F284 AromaticContact CE1-CE1 3.85Å; F268-F284 HydrophobicContact CE1-CE1 3.85Å; F268-F284 AromaticContact CE1-CZ 3.73Å; F268-F284 HydrophobicContact CE1-CZ 3.73Å; F271-F284 HydrophobicContact CB-CD2 3.68Å; F271-F284 HydrophobicContact CB-CE2 3.85Å; F271-F284 AromaticContact CD2-CE2 3.9Å; F271-F284 HydrophobicContact CD2-CE2 3.9Å; F271-F284 HydrophobicContact CG-CD2 4.18Å; F271-F284 AromaticContact CG-CE2 3.83Å; F271-F284 HydrophobicContact CG-CE2 3.83Å; P282-F284 VanDerWaalsContact C-N 3.25Å; P282-F284 PolarHBondContact O-N 2.71Å; F284-F286 HydrophobicContact CB-CD2 3.49Å; F284-F286 VanDerWaalsContact CB-CD2 3.49Å; F284-F286 HydrophobicContact CB-CE1 4.39Å; F284-F286 HydrophobicContact CB-CE2 3.15Å; F284-F286 HydrophobicContact CB-CG 4.34Å; F284-F286 HydrophobicContact CB-CZ 3.68Å; F284-F286 HydrophobicContact CD1-CE1 4.02Å; F284-F286 AromaticContact CD1-CE2 3.54Å; F284-F286 HydrophobicContact CD1-CE2 3.54Å; F284-F286 AromaticContact CD1-CZ 3.19Å; F284-F286 HydrophobicContact CD1-CZ 3.19Å; F284-F286 HydrophobicContact CD2-CE2 4.28Å; F284-F286 HydrophobicContact CE1-CE2 4.46Å; F284-F286 AromaticContact CE1-CZ 3.94Å; F284-F286 HydrophobicContact CE1-CZ 3.94Å; F284-F286 HydrophobicContact CG-CD2 4.26Å; F284-F286 AromaticContact CG-CE2 3.42Å; F284-F286 HydrophobicContact CG-CE2 3.42Å; F284-F286 VanDerWaalsContact CG-CE2 3.42Å; F284-F286 AromaticContact CG-CZ 3.63Å; F284-F286 HydrophobicContact CG-CZ 3.63Å | ||
| 285 | S | 56.4 | Low | 53.3 | Low | 65 Ų | 65 | 87 Ų | 87 | 46% | 0.455 | 45% | 0.451 | S | S | . | . | trans | -93.7 | 89.9 | 163.9 | 52.5 | 0 | 0 | 0 | 0 | 108 | D287 S305 | S285-D287 VanDerWaalsContact C-N 3.33Å; S285-S305 PolarHBondContact OG-OG 2.81Å | ||
| 286 | F | 56.4 | Low | 52 | Low | 45 Ų | 45 | 87.1 Ų | 87.1 | 20% | 0.197 | 46% | 0.459 | C | S | . | . | trans | -98.1 | 12.6 | 170.1 | -58.4 | -65.1 | 0 | 0 | 0 | 112.1 | I203 I205 F268 I272 F284 V288 | I203-F286 HydrophobicContact CB-CD1 4.41Å; I203-F286 HydrophobicContact CB-CE1 4.33Å; I203-F286 HydrophobicContact CD1-CB 4.43Å; I203-F286 HydrophobicContact CD1-CD1 3.84Å; I203-F286 HydrophobicContact CD1-CD2 3.85Å; I203-F286 HydrophobicContact CD1-CE1 3.92Å; I203-F286 HydrophobicContact CD1-CE2 3.83Å; I203-F286 HydrophobicContact CD1-CG 3.79Å; I203-F286 HydrophobicContact CD1-CZ 3.86Å; I203-F286 HydrophobicContact CG1-CD1 4.1Å; I203-F286 HydrophobicContact CG1-CE1 4.37Å; I203-F286 HydrophobicContact CG1-CG 4.34Å; I203-F286 HydrophobicContact CG2-CD1 3.39Å; I203-F286 HydrophobicContact CG2-CE1 3.08Å; I203-F286 HydrophobicContact CG2-CG 4.36Å; I203-F286 HydrophobicContact CG2-CZ 3.8Å; I205-F286 HydrophobicContact CG1-CE1 4.44Å; F268-F286 HydrophobicContact CD1-CZ 4.36Å; I272-F286 HydrophobicContact CD1-CD2 3.36Å; I272-F286 HydrophobicContact CD1-CE2 3.68Å; I272-F286 HydrophobicContact CD1-CG 4.27Å; I272-F286 HydrophobicContact CG1-CD2 3.47Å; I272-F286 VanDerWaalsContact CG1-CD2 3.47Å; I272-F286 HydrophobicContact CG1-CE2 3.79Å; F284-F286 HydrophobicContact CB-CD2 3.49Å; F284-F286 VanDerWaalsContact CB-CD2 3.49Å; F284-F286 HydrophobicContact CB-CE1 4.39Å; F284-F286 HydrophobicContact CB-CE2 3.15Å; F284-F286 HydrophobicContact CB-CG 4.34Å; F284-F286 HydrophobicContact CB-CZ 3.68Å; F284-F286 HydrophobicContact CD1-CE1 4.02Å; F284-F286 AromaticContact CD1-CE2 3.54Å; F284-F286 HydrophobicContact CD1-CE2 3.54Å; F284-F286 AromaticContact CD1-CZ 3.19Å; F284-F286 HydrophobicContact CD1-CZ 3.19Å; F284-F286 HydrophobicContact CD2-CE2 4.28Å; F284-F286 HydrophobicContact CE1-CE2 4.46Å; F284-F286 AromaticContact CE1-CZ 3.94Å; F284-F286 HydrophobicContact CE1-CZ 3.94Å; F284-F286 HydrophobicContact CG-CD2 4.26Å; F284-F286 AromaticContact CG-CE2 3.42Å; F284-F286 HydrophobicContact CG-CE2 3.42Å; F284-F286 VanDerWaalsContact CG-CE2 3.42Å; F284-F286 AromaticContact CG-CZ 3.63Å; F284-F286 HydrophobicContact CG-CZ 3.63Å; F286-V288 PolarHBondContact O-N 2.64Å | ||
| 287 | D | 40.1 | Very low | 50.6 | Low | 137 Ų | 137 | 91.4 Ų | 91.4 | 73% | 0.733 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -67.5 | 127.9 | 173.2 | -156.1 | -1.6 | 0 | 0 | 0 | 108.1 | S285 H289 | S285-D287 VanDerWaalsContact C-N 3.33Å; D287-H289 VanDerWaalsContact C-N 3.25Å; D287-H289 PolarHBondContact O-N 2.72Å |
| 288 | V | 38.4 | Very low | 49.5 | Very low | 122 Ų | 122 | 89.7 Ų | 89.7 | 74% | 0.739 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -70.6 | 83.1 | -172.4 | 176.3 | 0 | 0 | 0 | 0 | 108 | F286 | F286-V288 PolarHBondContact O-N 2.64Š|
| 289 | H | 36.7 | Very low | 48.6 | Very low | 158 Ų | 158 | 95.3 Ų | 95.3 | 73% | 0.731 | 53% | 0.53 | S | S | * | . | trans | -136.4 | 104.5 | 146.2 | -63.8 | 88.3 | 0 | 0 | 0 | 106 | D287 D291 | D287-H289 VanDerWaalsContact C-N 3.25Å; D287-H289 PolarHBondContact O-N 2.72Å; H289-D291 PolarHBondContact O-N 2.94Å | ||
| 290 | D | 33 | Very low | 47.7 | Very low | 142 Ų | 142 | 98 Ų | 98 | 76% | 0.759 | 55% | 0.548 | S | S | * | . | trans | -38.2 | 124.6 | 141.6 | -82.9 | -45.6 | 0 | 0 | 0 | 106.7 | I292 | D290-I292 HydrophobicContact CB-CD1 4.34Å; D290-I292 HydrophobicContact CB-CG1 3.97Å; D290-I292 PolarHBondContact O-N 3.18Å | ||
| 291 | D | 36.3 | Very low | 47 | Very low | 142 Ų | 142 | 104.1 Ų | 104.1 | 76% | 0.759 | 57% | 0.572 | S | S | * | * | trans | -67.8 | 65.4 | 178.5 | -148.6 | 5.5 | 0 | 0 | 0 | 108.6 | H289 R293 | H289-D291 PolarHBondContact O-N 2.94Å; D291-R293 PolarHBondContact O-N 2.93Å; D291-R293 VanDerWaalsContact O-N 3.09Å | ||
| 292 | I | 39.4 | Very low | 46.1 | Very low | 138 Ų | 138 | 110.8 Ų | 110.8 | 71% | 0.708 | 60% | 0.595 | S | S | * | * | trans | -83.2 | 74.2 | 169.9 | -50.1 | 173.5 | 0 | 0 | 0 | 106 | D290 | D290-I292 HydrophobicContact CB-CD1 4.34Å; D290-I292 HydrophobicContact CB-CG1 3.97Å; D290-I292 PolarHBondContact O-N 3.18Å | ||
| 293 | R | 38.8 | Very low | 45.1 | Very low | 138 Ų | 138 | 113.8 Ų | 113.8 | 52% | 0.521 | 61% | 0.609 | S | S | . | * | trans | -105.3 | 84.5 | 161.5 | -71.9 | -174.9 | 175.1 | 166.8 | 2.1 | 109 | D291 V295 | D291-R293 PolarHBondContact O-N 2.93Å; D291-R293 VanDerWaalsContact O-N 3.09Å; R293-V295 VanDerWaalsContact C-N 3.26Å; R293-V295 PolarHBondContact O-N 3.11Å; R293-V295 VanDerWaalsContact O-N 3.14Å | ||
| 294 | L | 45.8 | Very low | 44.1 | Very low | 160 Ų | 160 | 119.8 Ų | 119.8 | 84% | 0.838 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -65.7 | 97.5 | 142.5 | -97.1 | 88.8 | 0 | 0 | 0 | 105.6 | ||
| 295 | V | 38.5 | Very low | 43.7 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 72% | 0.715 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 124 | 113.2 | 168.2 | -179.1 | 0 | 0 | 0 | 0 | 111.3 | R293 D297 | R293-V295 VanDerWaalsContact C-N 3.26Å; R293-V295 PolarHBondContact O-N 3.11Å; R293-V295 VanDerWaalsContact O-N 3.14Å; V295-D297 PolarHBondContact O-N 3.36Å; V295-D297 VanDerWaalsContact O-N 3.16Å |
| 296 | N | 44.4 | Very low | 44.1 | Very low | 170 Ų | 170 | 122.3 Ų | 122.3 | 91% | 0.909 | 65% | 0.646 | S | S | * | * | trans | -64.1 | 103.8 | 174.7 | -66.2 | -35.7 | 0 | 0 | 0 | 110.3 | ||||
| 297 | D | 36.8 | Very low | 45.1 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 54% | 0.535 | 65% | 0.645 | S | S | . | * | trans | -107 | 128.1 | 165.1 | -165.7 | -1.8 | 0 | 0 | 0 | 109.4 | V295 | V295-D297 PolarHBondContact O-N 3.36Å; V295-D297 VanDerWaalsContact O-N 3.16Å | ||
| 298 | A | 41.4 | Very low | 47.2 | Very low | 104 Ų | 104 | 114.7 Ų | 114.7 | 86% | 0.86 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -99.1 | 8 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 299 | T | 49.6 | Very low | 49.6 | Very low | 120 Ų | 120 | 110.8 Ų | 110.8 | 74% | 0.736 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -96.9 | -2.9 | -179.5 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 300 | V | 46.1 | Very low | 52.1 | Low | 69 Ų | 69 | 103.3 Ų | 103.3 | 42% | 0.418 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -112 | 123.2 | 178.5 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | K302 | V300-K302 PolarHBondContact O-N 3.16Š|
| 301 | E | 43.5 | Very low | 54.8 | Low | 167 Ų | 167 | 96.5 Ų | 96.5 | 78% | 0.78 | 51% | 0.513 | S | S | * | . | trans | -51.2 | 131 | 177.4 | -73.3 | -177.6 | 151.5 | 0 | 0 | 110.1 | D303 | E301-D303 PolarHBondContact O-N 2.8Š| ||
| 302 | K | 41.7 | Very low | 57.4 | Low | 162 Ų | 162 | 91.3 Ų | 91.3 | 70% | 0.704 | 49% | 0.485 | S | S | * | . | trans | -70.3 | 95 | 178.4 | -168.4 | -175.2 | 177.5 | -135.2 | 0 | 107.6 | V300 E304 | V300-K302 PolarHBondContact O-N 3.16Å; K302-E304 IonicContact NZ-OE1 2.71Å; K302-E304 PolarHBondContact NZ-OE1 3.17Å; K302-E304 IonicContact NZ-OE2 2.86Å; K302-E304 PolarHBondContact NZ-OE2 3.34Å; K302-E304 PolarHBondContact O-N 3.41Å | ||
| 303 | D | 48.6 | Very low | 59.7 | Low | 108 Ų | 108 | 88.9 Ų | 88.9 | 58% | 0.578 | 47% | 0.466 | S | S | * | . | trans | -73.6 | 65.1 | -178.2 | -79.3 | -31.8 | 0 | 0 | 0 | 111.6 | E301 S305 | E301-D303 PolarHBondContact O-N 2.8Å; D303-S305 PolarHBondContact O-N 3.44Å | ||
| 304 | E | 47 | Very low | 62.1 | Low | 128 Ų | 128 | 84.9 Ų | 84.9 | 60% | 0.598 | 46% | 0.46 | S | S | * | . | trans | -78.8 | 71.3 | 177 | -138 | 164 | -158.5 | 0 | 0 | 109.4 | K302 H306 | K302-E304 IonicContact NZ-OE1 2.71Å; K302-E304 PolarHBondContact NZ-OE1 3.17Å; K302-E304 IonicContact NZ-OE2 2.86Å; K302-E304 PolarHBondContact NZ-OE2 3.34Å; K302-E304 PolarHBondContact O-N 3.41Å; E304-H306 PolarHBondContact O-N 3.45Å | ||
| 305 | S | 58.7 | Low | 64.1 | Low | 43 Ų | 43 | 79.7 Ų | 79.7 | 30% | 0.301 | 43% | 0.429 | S | S | . | . | trans | -56.5 | 111.3 | 171.7 | -75.8 | 0 | 0 | 0 | 0 | 109.3 | S285 D303 A307 | S285-S305 PolarHBondContact OG-OG 2.81Å; D303-S305 PolarHBondContact O-N 3.44Å; S305-A307 PolarHBondContact O-N 3.49Å | ||
| 306 | H | 65.4 | Low | 66.5 | Low | 98 Ų | 98 | 76 Ų | 76 | 45% | 0.454 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 135.6 | 179 | -63.5 | 93.8 | 0 | 0 | 0 | 110 | K257 E258 E304 G308 | K257-H306 WeakPolarHBondContact CD-O 3.31Å; K257-H306 WeakPolarHBondContact CE-O 3.47Å; E258-H306 WeakPolarHBondContact OE1-CA 3.3Å; E258-H306 VanDerWaalsContact OE1-CB 3.28Å; E258-H306 WeakPolarHBondContact OE1-CB 3.32Å; E258-H306 IonicContact OE1-CG 3.95Å; E258-H306 PolarHBondContact OE1-N 3.11Å; E258-H306 IonicContact OE1-ND1 2.64Å; E258-H306 PolarHBondContact OE1-ND1 3.14Å; E258-H306 IonicContact OE2-CE1 3.2Å; E258-H306 IonicContact OE2-CG 3.62Å; E258-H306 IonicContact OE2-ND1 3.9Å; E258-H306 PolarHBondContact OE2-ND1 3.37Å; E304-H306 PolarHBondContact O-N 3.45Å; H306-G308 PolarHBondContact O-N 3.37Å |
| 307 | A | 77.3 | Confident | 68.6 | Low | 21 Ų | 21 | 73.3 Ų | 73.3 | 17% | 0.174 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 134.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | T206 S305 K309 | T206-A307 HydrophobicContact CG2-CB 3.88Å; S305-A307 PolarHBondContact O-N 3.49Å; A307-K309 PolarHBondContact O-N 3.2Å |
| 308 | G | 84.7 | Confident | 71.1 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 136.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T206 F207 S208 I256 H306 | T206-G308 PolarHBondContact O-N 3.15Å; F207-G308 CarbonylContact C-O 3.56Å; F207-G308 WeakPolarHBondContact CA-O 3.22Å; F207-G308 VanDerWaalsContact CB-O 3.29Å; F207-G308 WeakPolarHBondContact CB-O 3.35Å; S208-G308 PolarHBondContact N-O 2.89Å; I256-G308 CarbonylContact O-C 3.54Å; I256-G308 WeakPolarHBondContact O-CA 3.45Å; H306-G308 PolarHBondContact O-N 3.37Å |
| 309 | K | 88.1 | Confident | 73.3 | Confident | 41 Ų | 41 | 72.8 Ų | 72.8 | 18% | 0.178 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 133.5 | 179.6 | -56.7 | -175.6 | -177.2 | 81.6 | 0 | 109.9 | S208 I256 A307 V311 W328 | S208-K309 CarbonylContact O-C 3.36Å; S208-K309 VanDerWaalsContact O-CA 3.27Å; S208-K309 WeakPolarHBondContact O-CA 3.44Å; I256-K309 HydrophobicContact CB-CB 4.37Å; I256-K309 PolarHBondContact N-O 3.4Å; I256-K309 PolarHBondContact O-N 3.37Å; A307-K309 PolarHBondContact O-N 3.2Å; K309-V311 HydrophobicContact CB-CG2 4.35Å; K309-W328 HydrophobicContact CD-CZ2 4.12Å |
| 310 | V | 90 | Very high | 75.1 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.5 | 172.7 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | F207 S208 Y209 W210 F230 L231 L253 M254 Y255 | F207-V310 HydrophobicContact CB-CG2 4.19Å; F207-V310 HydrophobicContact CD2-CB 4.26Å; F207-V310 HydrophobicContact CD2-CG2 3.57Å; F207-V310 HydrophobicContact CE2-CG2 4.29Å; F207-V310 HydrophobicContact CG-CG2 4.11Å; S208-V310 PolarHBondContact O-N 3.4Å; Y209-V310 WeakPolarHBondContact CA-O 3.36Å; Y209-V310 HydrophobicContact CD2-CG1 4.39Å; Y209-V310 WeakPolarHBondContact CD2-O 3.38Å; W210-V310 PolarHBondContact N-O 3.33Å; F230-V310 HydrophobicContact CE1-CG2 4.04Å; F230-V310 HydrophobicContact CZ-CG2 4.44Å; L231-V310 HydrophobicContact CD2-CG1 3.94Å; L231-V310 HydrophobicContact CD2-CG2 4.1Å; L253-V310 HydrophobicContact CB-CG1 4.48Å; L253-V310 HydrophobicContact CD1-CG1 4.18Å; L253-V310 HydrophobicContact CD2-CG1 4.01Å; L253-V310 HydrophobicContact CG-CG1 4.48Å; M254-V310 WeakPolarHBondContact O-CA 3.22Å; Y255-V310 HydrophobicContact CD2-CG2 3.97Å |
| 311 | V | 89.6 | Confident | 76.9 | Confident | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 144.5 | -169.4 | -172.8 | 0 | 0 | 0 | 0 | 110 | W210 L253 M254 I256 K309 W315 W328 | W210-V311 HydrophobicContact CB-CG2 4.07Å; L253-V311 CarbonylContact C-O 3.55Å; L253-V311 WeakPolarHBondContact CA-O 3.32Å; M254-V311 PolarHBondContact N-O 3.06Å; M254-V311 PolarHBondContact O-N 3.17Å; I256-V311 HydrophobicContact CD1-CB 3.83Å; I256-V311 HydrophobicContact CD1-CG2 3.45Å; I256-V311 VanDerWaalsContact CD1-CG2 3.45Å; K309-V311 HydrophobicContact CB-CG2 4.35Å; V311-W315 HydrophobicContact CG1-CB 4.31Å; V311-W315 HydrophobicContact CG1-CD2 3.94Å; V311-W315 HydrophobicContact CG1-CE3 3.22Å; V311-W315 HydrophobicContact CG1-CG 4.42Å; V311-W315 HydrophobicContact CG1-CZ3 3.86Å; V311-W328 HydrophobicContact CB-CZ3 4.41Å; V311-W328 HydrophobicContact CG1-CZ3 4.28Å; V311-W328 HydrophobicContact CG2-CH2 3.72Å; V311-W328 HydrophobicContact CG2-CZ3 3.89Å |
| 312 | L | 89.6 | Confident | 79 | Confident | 33 Ų | 33 | 72.4 Ų | 72.4 | 17% | 0.173 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 134.6 | 168.9 | -74.9 | 165.9 | 0 | 0 | 0 | 110.7 | L245 A248 Q252 L253 S314 W315 Y316 | L245-L312 HydrophobicContact CD2-CD1 3.97Å; L245-L312 HydrophobicContact CD2-CD2 3.88Å; L245-L312 HydrophobicContact CD2-CG 4.05Å; A248-L312 HydrophobicContact CB-CD2 4.02Å; Q252-L312 HydrophobicContact CG-CD2 4.16Å; Q252-L312 CarbonylContact O-C 3.58Å; Q252-L312 WeakPolarHBondContact O-CA 3.11Å; L253-L312 HydrophobicContact CD2-CD2 3.77Å; L253-L312 HydrophobicContact CD2-CG 4.19Å; L312-S314 VanDerWaalsContact C-N 3.27Å; L312-S314 PolarHBondContact O-N 2.95Å; L312-W315 HydrophobicContact CB-CB 4.09Å; L312-W315 WeakPolarHBondContact O-CA 3.49Å; L312-W315 WeakPolarHBondContact O-CB 3.37Å; L312-W315 PolarHBondContact O-N 3.03Å; L312-Y316 PolarHBondContact O-N 3.46Å |
| 313 | R | 88.9 | Confident | 80.7 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.1 | -42.9 | 174.6 | 178.9 | -174.1 | -58.5 | -77.8 | -3.5 | 111.9 | Q252 M254 W315 Y316 E317 | Q252-R313 HydrophobicContact CG-CB 4.44Å; Q252-R313 WeakPolarHBondContact O-CB 3.24Å; Q252-R313 PolarHBondContact O-N 3.29Å; M254-R313 HydrophobicContact CG-CB 4.28Å; M254-R313 HydrophobicContact SD-CB 3.98Å; M254-R313 HydrophobicContact SD-CG 4.12Å; R313-W315 PolarHBondContact O-N 3.02Å; R313-Y316 PolarHBondContact O-N 3.45Å; R313-E317 HydrophobicContact CG-CG 4.47Å; R313-E317 WeakPolarHBondContact O-CG 3.35Å; R313-E317 PolarHBondContact O-N 3.36Å |
| 314 | S | 88.8 | Confident | 82.2 | Confident | 55 Ų | 55 | 68.8 Ų | 68.8 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.6 | -34.8 | 174.2 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | Q252 L312 K318 | Q252-S314 PolarHBondContact NE2-OG 2.83Å; L312-S314 VanDerWaalsContact C-N 3.27Å; L312-S314 PolarHBondContact O-N 2.95Å; S314-K318 WeakPolarHBondContact O-CD 3.39Å; S314-K318 VanDerWaalsContact O-CG 3.3Å; S314-K318 WeakPolarHBondContact O-CG 3.1Å |
| 315 | W | 88.2 | Confident | 83.9 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -74 | -44 | 176.8 | -177.2 | 103 | 0 | 0 | 0 | 110.1 | W210 D211 V311 L312 R313 E317 K318 N319 A325 W328 | W210-W315 AromaticContact CD1-CE2 3.98Å; W210-W315 AromaticContact CD1-CH2 3.29Å; W210-W315 AromaticContact CD1-CZ2 3.38Å; W210-W315 AromaticContact CD1-CZ3 3.8Å; W210-W315 AromaticContact NE1-CH2 3.09Å; W210-W315 AromaticContact NE1-CZ2 3.18Å; D211-W315 PolarHBondContact O-NE1 2.89Å; D211-W315 VanDerWaalsContact O-NE1 3.17Å; V311-W315 HydrophobicContact CG1-CB 4.31Å; V311-W315 HydrophobicContact CG1-CD2 3.94Å; V311-W315 HydrophobicContact CG1-CE3 3.22Å; V311-W315 HydrophobicContact CG1-CG 4.42Å; V311-W315 HydrophobicContact CG1-CZ3 3.86Å; L312-W315 HydrophobicContact CB-CB 4.09Å; L312-W315 WeakPolarHBondContact O-CA 3.49Å; L312-W315 WeakPolarHBondContact O-CB 3.37Å; L312-W315 PolarHBondContact O-N 3.03Å; R313-W315 PolarHBondContact O-N 3.02Å; W315-E317 PolarHBondContact O-N 2.83Å; W315-K318 PolarHBondContact O-N 2.93Å; W315-N319 HydrophobicContact CD2-CB 4.38Å; W315-N319 HydrophobicContact CE3-CB 4.24Å; W315-N319 HydrophobicContact CH2-CB 4.02Å; W315-N319 HydrophobicContact CZ2-CB 4.18Å; W315-N319 WeakPolarHBondContact CZ2-ND2 3.08Å; W315-N319 HydrophobicContact CZ3-CB 4.08Å; W315-N319 PolarHBondContact NE1-ND2 2.73Å; W315-N319 WeakPolarHBondContact O-CB 3.29Å; W315-N319 PolarHBondContact O-N 3.24Å; W315-N319 PolarHBondContact O-ND2 3.22Å; W315-A325 HydrophobicContact CZ3-CB 4.16Å; W315-W328 AromaticContact CZ3-CH2 3.91Å; W315-W328 HydrophobicContact CZ3-CH2 3.91Å; W315-W328 HydrophobicContact CZ3-CZ3 4.17Å |
| 316 | Y | 88.8 | Confident | 85.1 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 178.5 | 175.2 | -110.5 | 0 | 0 | 0 | 111.6 | M254 I261 L312 R313 K318 N319 K320 A325 W328 | M254-Y316 HydrophobicContact CE-CD1 4.01Å; M254-Y316 HydrophobicContact CE-CE1 4.26Å; M254-Y316 HydrophobicContact SD-CD1 3.99Å; M254-Y316 HydrophobicContact SD-CG 4.36Å; I261-Y316 HydrophobicContact CD1-CE1 4.04Å; I261-Y316 HydrophobicContact CD1-CE2 4.14Å; I261-Y316 WeakPolarHBondContact CD1-OH 3.5Å; L312-Y316 PolarHBondContact O-N 3.46Å; R313-Y316 PolarHBondContact O-N 3.45Å; Y316-K318 VanDerWaalsContact C-N 3.27Å; Y316-K318 PolarHBondContact O-N 2.9Å; Y316-N319 CarbonylContact O-C 3.49Å; Y316-N319 PolarHBondContact O-N 3.31Å; Y316-N319 VanDerWaalsContact O-N 3.15Å; Y316-K320 HydrophobicContact CD2-CB 4.42Å; Y316-K320 HydrophobicContact CE2-CB 4.06Å; Y316-K320 WeakPolarHBondContact O-CA 3.26Å; Y316-K320 VanDerWaalsContact O-CB 3.25Å; Y316-K320 WeakPolarHBondContact O-CB 3.44Å; Y316-K320 PolarHBondContact O-N 3.32Å; Y316-A325 HydrophobicContact CD2-CB 4.16Å; Y316-A325 HydrophobicContact CE2-CB 4.27Å; Y316-W328 AromaticContact CD2-CE3 3.4Å; Y316-W328 HydrophobicContact CD2-CE3 3.4Å; Y316-W328 AromaticContact CD2-CZ3 3.59Å; Y316-W328 HydrophobicContact CD2-CZ3 3.59Å; Y316-W328 HydrophobicContact CE2-CB 4.22Å; Y316-W328 HydrophobicContact CE2-CD2 4.29Å; Y316-W328 AromaticContact CE2-CE3 3.46Å; Y316-W328 HydrophobicContact CE2-CE3 3.46Å; Y316-W328 VanDerWaalsContact CE2-CE3 3.46Å; Y316-W328 HydrophobicContact CE2-CZ3 4.14Å |
| 317 | E | 88.6 | Confident | 86 | Confident | 113 Ų | 113 | 62.4 Ų | 62.4 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -36.2 | -179.5 | -74 | 174.4 | -178 | 0 | 0 | 113.1 | R313 W315 | R313-E317 HydrophobicContact CG-CG 4.47Å; R313-E317 WeakPolarHBondContact O-CG 3.35Å; R313-E317 PolarHBondContact O-N 3.36Å; W315-E317 PolarHBondContact O-N 2.83Å |
| 318 | K | 89.4 | Confident | 86.5 | Confident | 151 Ų | 151 | 61.9 Ų | 61.9 | 66% | 0.657 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -71.5 | -42.5 | 175.2 | -69.9 | 175.3 | -175.9 | -178.9 | 0 | 111.5 | S314 W315 Y316 H321 | S314-K318 WeakPolarHBondContact O-CD 3.39Å; S314-K318 VanDerWaalsContact O-CG 3.3Å; S314-K318 WeakPolarHBondContact O-CG 3.1Å; W315-K318 PolarHBondContact O-N 2.93Å; Y316-K318 VanDerWaalsContact C-N 3.27Å; Y316-K318 PolarHBondContact O-N 2.9Å; K318-H321 PolarHBondContact O-CE1 2.77Å; K318-H321 PolarHBondContact O-ND1 2.92Å |
| 319 | N | 87.7 | Confident | 86.5 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 23% | 0.225 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -103.4 | 3.5 | -169 | -63.3 | -35.5 | 0 | 0 | 0 | 114.6 | W315 Y316 H321 I322 A325 | W315-N319 HydrophobicContact CD2-CB 4.38Å; W315-N319 HydrophobicContact CE3-CB 4.24Å; W315-N319 HydrophobicContact CH2-CB 4.02Å; W315-N319 HydrophobicContact CZ2-CB 4.18Å; W315-N319 WeakPolarHBondContact CZ2-ND2 3.08Å; W315-N319 HydrophobicContact CZ3-CB 4.08Å; W315-N319 PolarHBondContact NE1-ND2 2.73Å; W315-N319 WeakPolarHBondContact O-CB 3.29Å; W315-N319 PolarHBondContact O-N 3.24Å; W315-N319 PolarHBondContact O-ND2 3.22Å; Y316-N319 CarbonylContact O-C 3.49Å; Y316-N319 PolarHBondContact O-N 3.31Å; Y316-N319 VanDerWaalsContact O-N 3.15Å; N319-H321 PolarHBondContact O-N 2.87Å; N319-I322 PolarHBondContact O-N 3Å; N319-A325 WeakPolarHBondContact O-CB 3.41Å |
| 320 | K | 86.6 | Confident | 86.4 | Confident | 122 Ų | 122 | 67.5 Ų | 67.5 | 53% | 0.53 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -16.1 | -179.1 | 65.9 | 178.7 | -177.6 | 178.8 | 0 | 114.8 | Y316 S326 | Y316-K320 HydrophobicContact CD2-CB 4.42Å; Y316-K320 HydrophobicContact CE2-CB 4.06Å; Y316-K320 WeakPolarHBondContact O-CA 3.26Å; Y316-K320 VanDerWaalsContact O-CB 3.25Å; Y316-K320 WeakPolarHBondContact O-CB 3.44Å; Y316-K320 PolarHBondContact O-N 3.32Å; K320-S326 WeakPolarHBondContact O-CA 3.2Å; K320-S326 WeakPolarHBondContact O-CB 3.39Å; K320-S326 PolarHBondContact O-N 2.93Å |
| 321 | H | 84.3 | Confident | 86.2 | Confident | 141 Ų | 141 | 68.8 Ų | 68.8 | 65% | 0.653 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -7.4 | 177.5 | 63.5 | -80.5 | 0 | 0 | 0 | 112.7 | K318 N319 | K318-H321 PolarHBondContact O-CE1 2.77Å; K318-H321 PolarHBondContact O-ND1 2.92Å; N319-H321 PolarHBondContact O-N 2.87Å |
| 322 | I | 86.6 | Confident | 85.8 | Confident | 85 Ų | 85 | 72.5 Ų | 72.5 | 44% | 0.436 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -107.4 | 140.7 | -176.9 | -52.9 | 177 | 0 | 0 | 0 | 108.6 | N319 A325 S326 | N319-I322 PolarHBondContact O-N 3Å; I322-A325 PolarHBondContact O-N 2.73Å; I322-S326 PolarHBondContact O-N 3.37Å; I322-S326 VanDerWaalsContact O-N 3.11Å |
| 323 | F | 77.4 | Confident | 85.2 | Confident | 169 Ų | 169 | 74.6 Ų | 74.6 | 74% | 0.741 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 135.2 | 173.6 | 179.9 | -93.2 | 0 | 0 | 0 | 110.6 | ||
| 324 | P | 80.9 | Confident | 84.5 | Confident | 25 Ų | 25 | 78.8 Ų | 78.8 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -92.4 | -5.7 | 9 | 35.5 | -36.1 | 0 | 0 | 0 | 115.6 | S326 R327 W328 | P324-S326 PolarHBondContact O-N 2.87Å; P324-R327 PolarHBondContact O-N 3.27Å; P324-R327 VanDerWaalsContact O-N 3.13Å; P324-W328 HydrophobicContact CG-CZ2 4.23Å; P324-W328 PolarHBondContact O-NE1 2.89Å |
| 325 | A | 83.1 | Confident | 83.7 | Confident | 1 Ų | 1 | 80.7 Ų | 80.7 | 1% | 0.008 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -63.9 | -25.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | W315 Y316 N319 I322 R327 W328 | W315-A325 HydrophobicContact CZ3-CB 4.16Å; Y316-A325 HydrophobicContact CD2-CB 4.16Å; Y316-A325 HydrophobicContact CE2-CB 4.27Å; N319-A325 WeakPolarHBondContact O-CB 3.41Å; I322-A325 PolarHBondContact O-N 2.73Å; A325-R327 PolarHBondContact O-N 3.23Å; A325-W328 HydrophobicContact CB-CD2 4.31Å; A325-W328 HydrophobicContact CB-CE3 4.09Å; A325-W328 HydrophobicContact CB-CH2 4.13Å; A325-W328 HydrophobicContact CB-CZ2 4.37Å; A325-W328 HydrophobicContact CB-CZ3 4Å; A325-W328 PolarHBondContact O-N 2.89Å |
| 326 | S | 82.9 | Confident | 82.5 | Confident | 68 Ų | 68 | 86.6 Ų | 86.6 | 48% | 0.476 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -63.6 | -20.2 | 174.9 | 60.1 | 0 | 0 | 0 | 0 | 115.1 | K320 I322 P324 | K320-S326 WeakPolarHBondContact O-CA 3.2Å; K320-S326 WeakPolarHBondContact O-CB 3.39Å; K320-S326 PolarHBondContact O-N 2.93Å; I322-S326 PolarHBondContact O-N 3.37Å; I322-S326 VanDerWaalsContact O-N 3.11Å; P324-S326 PolarHBondContact O-N 2.87Å |
| 327 | R | 83.6 | Confident | 81.3 | Confident | 66 Ų | 66 | 86.8 Ų | 86.8 | 25% | 0.249 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -89.1 | -12.1 | 179.9 | -169.3 | 164.4 | 169.9 | 91.2 | -3.3 | 113.2 | D259 K279 P324 A325 E329 T341 R343 | D259-R327 HydrophobicContact CB-CG 4.15Å; D259-R327 VanDerWaalsContact OD2-CD 3.24Å; D259-R327 WeakPolarHBondContact OD2-CD 3.09Å; D259-R327 IonicContact OD2-NE 3.79Å; D259-R327 PolarHBondContact OD2-NE 3.39Å; D259-R327 VanDerWaalsContact OD2-NE 3.09Å; K279-R327 PolarHBondContact NZ-O 3.2Å; P324-R327 PolarHBondContact O-N 3.27Å; P324-R327 VanDerWaalsContact O-N 3.13Å; A325-R327 PolarHBondContact O-N 3.23Å; R327-E329 PolarHBondContact O-N 3.47Å; R327-T341 PolarHBondContact NH2-O 3.16Å; R327-T341 VanDerWaalsContact NH2-O 3.1Å; R327-R343 PolarHBondContact NH1-O 3.14Å |
| 328 | W | 88.1 | Confident | 79.7 | Confident | 10 Ų | 10 | 87.4 Ų | 87.4 | 4% | 0.038 | 43% | 0.426 | C | S | . | . | trans | -74.5 | 121.2 | -172.4 | -59.8 | -9.7 | 0 | 0 | 0 | 111.5 | I256 D259 I261 K309 V311 W315 Y316 P324 A325 | I256-W328 HydrophobicContact CB-CD2 4.45Å; I256-W328 HydrophobicContact CD1-CD2 4.44Å; I256-W328 HydrophobicContact CD1-CE3 3.75Å; I256-W328 HydrophobicContact CD1-CH2 4.15Å; I256-W328 HydrophobicContact CD1-CZ3 3.59Å; I256-W328 HydrophobicContact CG1-CD2 4Å; I256-W328 HydrophobicContact CG1-CE3 3.69Å; I256-W328 HydrophobicContact CG1-CZ3 4.06Å; I256-W328 HydrophobicContact CG2-CD2 3.85Å; I256-W328 HydrophobicContact CG2-CE3 4.42Å; I256-W328 HydrophobicContact CG2-CG 3.92Å; D259-W328 CarbonylContact O-C 3.52Å; D259-W328 VanDerWaalsContact O-CA 3.24Å; D259-W328 WeakPolarHBondContact O-CA 3.29Å; I261-W328 HydrophobicContact CD1-CB 3.9Å; I261-W328 HydrophobicContact CG1-CB 3.95Å; K309-W328 HydrophobicContact CD-CZ2 4.12Å; V311-W328 HydrophobicContact CB-CZ3 4.41Å; V311-W328 HydrophobicContact CG1-CZ3 4.28Å; V311-W328 HydrophobicContact CG2-CH2 3.72Å; V311-W328 HydrophobicContact CG2-CZ3 3.89Å; W315-W328 AromaticContact CZ3-CH2 3.91Å; W315-W328 HydrophobicContact CZ3-CH2 3.91Å; W315-W328 HydrophobicContact CZ3-CZ3 4.17Å; Y316-W328 AromaticContact CD2-CE3 3.4Å; Y316-W328 HydrophobicContact CD2-CE3 3.4Å; Y316-W328 AromaticContact CD2-CZ3 3.59Å; Y316-W328 HydrophobicContact CD2-CZ3 3.59Å; Y316-W328 HydrophobicContact CE2-CB 4.22Å; Y316-W328 HydrophobicContact CE2-CD2 4.29Å; Y316-W328 AromaticContact CE2-CE3 3.46Å; Y316-W328 HydrophobicContact CE2-CE3 3.46Å; Y316-W328 VanDerWaalsContact CE2-CE3 3.46Å; Y316-W328 HydrophobicContact CE2-CZ3 4.14Å; P324-W328 HydrophobicContact CG-CZ2 4.23Å; P324-W328 PolarHBondContact O-NE1 2.89Å; A325-W328 HydrophobicContact CB-CD2 4.31Å; A325-W328 HydrophobicContact CB-CE3 4.09Å; A325-W328 HydrophobicContact CB-CH2 4.13Å; A325-W328 HydrophobicContact CB-CZ2 4.37Å; A325-W328 HydrophobicContact CB-CZ3 4Å; A325-W328 PolarHBondContact O-N 2.89Å | ||
| 329 | E | 84.9 | Confident | 77.7 | Confident | 60 Ų | 60 | 88.2 Ų | 88.2 | 28% | 0.28 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 148.3 | 177.1 | -75.8 | 176 | -153.2 | 0 | 0 | 110.3 | D259 L260 I261 K279 R327 Y331 K335 W337 | D259-E329 PolarHBondContact O-N 3.12Å; L260-E329 CarbonylContact C-O 3.57Å; L260-E329 WeakPolarHBondContact CA-O 3.37Å; L260-E329 HydrophobicContact CD2-CB 4.2Å; I261-E329 PolarHBondContact N-O 2.81Å; K279-E329 IonicContact NZ-OE1 3.94Å; K279-E329 PolarHBondContact NZ-OE1 3.46Å; K279-E329 IonicContact NZ-OE2 3Å; R327-E329 PolarHBondContact O-N 3.47Å; E329-Y331 PolarHBondContact O-N 2.97Å; E329-K335 IonicContact OE2-NZ 2.65Å; E329-K335 PolarHBondContact OE2-NZ 3.03Å; E329-W337 WeakPolarHBondContact OE2-CZ2 3.37Å |
| 330 | P | 86.9 | Confident | 75.7 | Confident | 99 Ų | 99 | 93.3 Ų | 93.3 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 138.4 | 168.5 | 27.2 | -33.2 | 0 | 0 | 0 | 110.4 | D332 | P330-D332 PolarHBondContact O-N 3.34Å |
| 331 | Y | 85.1 | Confident | 73.8 | Confident | 27 Ų | 27 | 90.7 Ų | 90.7 | 11% | 0.106 | 44% | 0.441 | C | S | . | . | trans | -65.4 | 124.8 | 174.3 | 177.8 | -102.7 | 0 | 0 | 0 | 110.5 | L260 I261 H266 F271 A276 L283 E329 P333 | L260-Y331 HydrophobicContact CD1-CD2 4.15Å; I261-Y331 WeakPolarHBondContact O-CB 3.46Å; I261-Y331 PolarHBondContact O-N 3.12Å; H266-Y331 AromaticContact NE2-CD1 3.99Å; H266-Y331 AromaticContact NE2-CE1 3.81Å; F271-Y331 HydrophobicContact CD1-CE1 4.21Å; F271-Y331 HydrophobicContact CD1-CE2 4.31Å; F271-Y331 AromaticContact CD1-CZ 3.9Å; F271-Y331 AromaticContact CE1-CD1 3.75Å; F271-Y331 HydrophobicContact CE1-CD1 3.75Å; F271-Y331 HydrophobicContact CE1-CD2 4.26Å; F271-Y331 AromaticContact CE1-CE1 3.39Å; F271-Y331 HydrophobicContact CE1-CE1 3.39Å; F271-Y331 AromaticContact CE1-CE2 3.95Å; F271-Y331 HydrophobicContact CE1-CE2 3.95Å; F271-Y331 HydrophobicContact CE1-CG 4.16Å; F271-Y331 AromaticContact CE1-CZ 3.5Å; F271-Y331 VanDerWaalsContact CE1-CZ 3.5Å; F271-Y331 HydrophobicContact CZ-CD1 4.3Å; F271-Y331 HydrophobicContact CZ-CE1 4.22Å; A276-Y331 HydrophobicContact CB-CE2 4.07Å; A276-Y331 VanDerWaalsContact CB-OH 3.31Å; A276-Y331 WeakPolarHBondContact CB-OH 3.21Å; L283-Y331 HydrophobicContact CD1-CD2 4.02Å; L283-Y331 HydrophobicContact CD1-CE2 3.75Å; E329-Y331 PolarHBondContact O-N 2.97Å; Y331-P333 HydrophobicContact CD1-CG 4.29Å; Y331-P333 HydrophobicContact CE1-CB 4.14Å; Y331-P333 HydrophobicContact CE1-CG 3.75Å | ||
| 332 | D | 81.2 | Confident | 72.1 | Confident | 79 Ų | 79 | 89.5 Ų | 89.5 | 42% | 0.422 | 44% | 0.439 | S | S | . | . | trans | -117.4 | 115.4 | 173.1 | -174 | -12.6 | 0 | 0 | 0 | 108.6 | P330 E334 K335 | P330-D332 PolarHBondContact O-N 3.34Å; D332-E334 PolarHBondContact O-N 2.79Å; D332-E334 PolarHBondContact OD1-N 2.86Å; D332-E334 VanDerWaalsContact OD1-N 3.08Å; D332-K335 HydrophobicContact CB-CB 4.03Å; D332-K335 PolarHBondContact O-N 3.18Å | ||
| 333 | P | 77 | Confident | 69.7 | Low | 77 Ų | 77 | 98.8 Ų | 98.8 | 50% | 0.5 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.4 | 179.8 | -20.5 | 29.3 | 0 | 0 | 0 | 114.5 | Y331 | Y331-P333 HydrophobicContact CD1-CG 4.29Å; Y331-P333 HydrophobicContact CE1-CB 4.14Å; Y331-P333 HydrophobicContact CE1-CG 3.75Å |
| 334 | E | 74.4 | Confident | 69.3 | Low | 174 Ų | 174 | 95.3 Ų | 95.3 | 81% | 0.813 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -21.5 | -176.5 | -61.4 | -169 | 161.1 | 0 | 0 | 112.5 | D332 K336 | D332-E334 PolarHBondContact O-N 2.79Å; D332-E334 PolarHBondContact OD1-N 2.86Å; D332-E334 VanDerWaalsContact OD1-N 3.08Å; E334-K336 PolarHBondContact O-N 2.62Å; E334-K336 VanDerWaalsContact O-N 3.16Å |
| 335 | K | 71.6 | Confident | 68.7 | Low | 95 Ų | 95 | 99 Ų | 99 | 41% | 0.413 | 47% | 0.47 | S | S | . | . | trans | -81.7 | 97.3 | -176.6 | -167.5 | 176.5 | -179.4 | -177.9 | 0 | 110.5 | E329 D332 W337 | E329-K335 IonicContact OE2-NZ 2.65Å; E329-K335 PolarHBondContact OE2-NZ 3.03Å; D332-K335 HydrophobicContact CB-CB 4.03Å; D332-K335 PolarHBondContact O-N 3.18Å; K335-W337 HydrophobicContact CD-CZ2 3.93Å; K335-W337 VanDerWaalsContact O-CD1 3.22Å | ||
| 336 | K | 63.7 | Low | 67.9 | Low | 174 Ų | 174 | 104.4 Ų | 104.4 | 76% | 0.757 | 50% | 0.496 | S | S | * | . | trans | -81.3 | 120.7 | 175.3 | -65.7 | -176.9 | -178.9 | 178.1 | 0 | 111.5 | E334 D338 | E334-K336 PolarHBondContact O-N 2.62Å; E334-K336 VanDerWaalsContact O-N 3.16Å; K336-D338 PolarHBondContact O-N 3.37Å | ||
| 337 | W | 63.2 | Low | 67 | Low | 44 Ų | 44 | 106.6 Ų | 106.6 | 17% | 0.167 | 50% | 0.497 | C | S | . | . | trans | -93.2 | 87 | 174.4 | -61.2 | 76.8 | 0 | 0 | 0 | 109.1 | G278 K279 E329 K335 | G278-W337 WeakPolarHBondContact O-CB 3.25Å; K279-W337 HydrophobicContact CB-CE3 3.95Å; K279-W337 HydrophobicContact CB-CZ3 4.05Å; K279-W337 HydrophobicContact CD-CE3 4.23Å; K279-W337 HydrophobicContact CD-CH2 3.51Å; K279-W337 HydrophobicContact CD-CZ2 4.2Å; K279-W337 HydrophobicContact CD-CZ3 3.51Å; K279-W337 HydrophobicContact CG-CD2 3.98Å; K279-W337 HydrophobicContact CG-CE3 3.57Å; K279-W337 HydrophobicContact CG-CH2 3.59Å; K279-W337 HydrophobicContact CG-CZ2 3.93Å; K279-W337 HydrophobicContact CG-CZ3 3.37Å; E329-W337 WeakPolarHBondContact OE2-CZ2 3.37Å; K335-W337 HydrophobicContact CD-CZ2 3.93Å; K335-W337 VanDerWaalsContact O-CD1 3.22Å | ||
| 338 | D | 54.9 | Low | 66 | Low | 126 Ų | 126 | 109.1 Ų | 109.1 | 67% | 0.674 | 51% | 0.512 | S | S | * | . | trans | -82.3 | -12.1 | -177.4 | -80.8 | -29.1 | 0 | 0 | 0 | 114 | K336 | K336-D338 PolarHBondContact O-N 3.37Š| ||
| 339 | K | 47.8 | Very low | 64.5 | Low | 168 Ų | 168 | 115.7 Ų | 115.7 | 73% | 0.73 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -134.9 | 126.8 | -179 | -69.1 | -175.8 | -179.8 | -178.5 | 0 | 112.4 | T341 | K339-T341 PolarHBondContact O-N 3.04Å; K339-T341 PolarHBondContact O-OG1 3.09Å |
| 340 | Y | 45.6 | Very low | 63.1 | Low | 149 Ų | 149 | 119.7 Ų | 119.7 | 58% | 0.584 | 56% | 0.563 | S | S | * | * | trans | -54 | 108.8 | 168.8 | -170.9 | -102.9 | 0 | 0 | 0 | 109.2 | I342 | Y340-I342 HydrophobicContact CD1-CG1 4.29Å; Y340-I342 HydrophobicContact CE1-CB 4.47Å; Y340-I342 HydrophobicContact CE1-CD1 3.49Å; Y340-I342 VanDerWaalsContact CE1-CD1 3.49Å; Y340-I342 HydrophobicContact CE1-CG1 3.6Å; Y340-I342 HydrophobicContact CE2-CD1 4.33Å; Y340-I342 HydrophobicContact CE2-CG1 4.37Å; Y340-I342 WeakPolarHBondContact OH-CD1 2.99Å | ||
| 341 | T | 46.3 | Very low | 61.2 | Low | 68 Ų | 68 | 121.3 Ų | 121.3 | 42% | 0.417 | 56% | 0.557 | S | S | . | * | trans | -127.8 | 81.2 | 179.9 | 40.4 | 0 | 0 | 0 | 0 | 108.8 | R327 K339 R343 | R327-T341 PolarHBondContact NH2-O 3.16Å; R327-T341 VanDerWaalsContact NH2-O 3.1Å; K339-T341 PolarHBondContact O-N 3.04Å; K339-T341 PolarHBondContact O-OG1 3.09Å; T341-R343 PolarHBondContact O-N 2.67Å | ||
| 342 | I | 48.3 | Very low | 59.2 | Low | 116 Ų | 116 | 129.2 Ų | 129.2 | 60% | 0.595 | 59% | 0.594 | S | S | * | * | trans | -72.6 | 102.8 | 154.8 | -58.5 | -177.3 | 0 | 0 | 0 | 106 | Y340 | Y340-I342 HydrophobicContact CD1-CG1 4.29Å; Y340-I342 HydrophobicContact CE1-CB 4.47Å; Y340-I342 HydrophobicContact CE1-CD1 3.49Å; Y340-I342 VanDerWaalsContact CE1-CD1 3.49Å; Y340-I342 HydrophobicContact CE1-CG1 3.6Å; Y340-I342 HydrophobicContact CE2-CD1 4.33Å; Y340-I342 HydrophobicContact CE2-CG1 4.37Å; Y340-I342 WeakPolarHBondContact OH-CD1 2.99Å | ||
| 343 | R | 36.9 | Very low | 57.3 | Low | 280 Ų | 280 | 133.7 Ų | 133.7 | 100% | 1.057 | 61% | 0.61 | S | S | * | * | trans | -122.5 | 0 | 158.2 | -81.5 | -167.4 | 179.6 | -171.9 | 1.1 | 107.9 | R327 T341 | R327-R343 PolarHBondContact NH1-O 3.14Å; T341-R343 PolarHBondContact O-N 2.67Å |
Retrieved 343 of 343 residues in 476.6 ms
(Link to these results)