| 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 | 46.8 | Very low | 43.6 | Very low | 244 Ų | 244 | 151.4 Ų | 151.4 | 100% | 1.202 | 82% | 0.817 | S | S | * | * | 0 | 83.2 | 0 | -89.1 | 157 | 173.9 | 0 | 0 | 104.3 | |||||
| 2 | D | 43 | Very low | 43.3 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -79.7 | 162.7 | -177.8 | -62.7 | -80.7 | 0 | 0 | 0 | 111.2 | ||||
| 3 | D | 41.5 | Very low | 42.6 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 81% | 0.812 | S | S | * | * | trans | 76.2 | 102.1 | 158.8 | -73.4 | -56.4 | 0 | 0 | 0 | 119.3 | ||||
| 4 | F | 44.9 | Very low | 42.7 | Very low | 185 Ų | 185 | 139.2 Ų | 139.2 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | -162.2 | 83 | 111.3 | -156.3 | -100 | 0 | 0 | 0 | 110.8 | |||||
| 5 | D | 61.5 | Low | 41.9 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -102 | 106.3 | 156.1 | -171.8 | 20.1 | 0 | 0 | 0 | 107.3 | ||||
| 6 | M | 44 | Very low | 42.1 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 64% | 0.64 | 81% | 0.809 | S | S | * | * | trans | -168.5 | 129.2 | 161.5 | -127.4 | -168.6 | 145.2 | 0 | 0 | 112.6 | ||||
| 7 | L | 37.4 | Very low | 41.7 | Very low | 137 Ų | 137 | 132.2 Ų | 132.2 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | trans | 85.7 | 92.5 | 150.4 | -60.6 | 149.7 | 0 | 0 | 0 | 117.4 | ||||
| 8 | S | 38.2 | Very low | 41.9 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | 145.1 | 125.4 | 87.2 | -166.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 9 | A | 42.7 | Very low | 42.2 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | 79.6 | 132.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | Q11 | A9-Q11 PolarHBondContact O-N 3.15Š| ||
| 10 | P | 42.1 | Very low | 42.9 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -73.9 | 113.5 | 162.6 | 31.5 | -26.8 | 0 | 0 | 0 | 106.9 | A12 | P10-A12 PolarHBondContact O-N 2.96Š| ||
| 11 | Q | 37.2 | Very low | 43.8 | Very low | 193 Ų | 193 | 130.5 Ų | 130.5 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -73.4 | 92.5 | 169.4 | -159.8 | 163.7 | -8.7 | 0 | 0 | 107.7 | A9 A13 | A9-Q11 PolarHBondContact O-N 3.15Å; Q11-A13 PolarHBondContact O-N 3.46Å; Q11-A13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | A | 40.6 | Very low | 44.9 | Very low | 80 Ų | 80 | 124 Ų | 124 | 66% | 0.661 | 75% | 0.747 | S | S | * | * | trans | -47.7 | 115.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | P10 A14 | P10-A12 PolarHBondContact O-N 2.96Å; A12-A14 PolarHBondContact O-N 2.92Å | ||
| 13 | A | 33.6 | Very low | 45.8 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 91% | 0.909 | 73% | 0.729 | S | S | * | * | trans | -77 | 75 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q11 | Q11-A13 PolarHBondContact O-N 3.46Å; Q11-A13 VanDerWaalsContact O-N 3.15Å | ||
| 14 | A | 44.7 | Very low | 47.3 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 78% | 0.777 | 71% | 0.71 | S | S | * | * | trans | -100.6 | 126.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | A12 | A12-A14 PolarHBondContact O-N 2.92Š| ||
| 15 | G | 31 | Very low | 48.7 | Very low | 67 Ų | 67 | 107.6 Ų | 107.6 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | trans | 135.7 | 80.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 16 | N | 43.9 | Very low | 49.2 | Very low | 171 Ų | 171 | 105.9 Ų | 105.9 | 91% | 0.914 | 67% | 0.672 | S | S | * | * | 45 | 67.4 | 62 | -122 | 79.1 | 0 | 0 | 0 | 110.6 | |||||
| 17 | G | 35.8 | Very low | 50.6 | Low | 61 Ų | 61 | 105 Ų | 105 | 63% | 0.629 | 67% | 0.67 | S | S | * | * | trans | -143.7 | 83.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | D19 | G17-D19 PolarHBondContact O-N 2.99Š| ||
| 18 | T | 45.1 | Very low | 52.4 | Low | 102 Ų | 102 | 101 Ų | 101 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | trans | -53 | 92.2 | 157 | 43 | 0 | 0 | 0 | 0 | 107.4 | E20 | T18-E20 HydrophobicContact CG2-CG 4.41Å; T18-E20 PolarHBondContact O-N 3.14Å | ||
| 19 | D | 48.6 | Very low | 54.2 | Low | 167 Ų | 167 | 101.6 Ų | 101.6 | 89% | 0.893 | 65% | 0.647 | S | S | * | * | trans | -73.1 | 65.1 | 149.9 | -76.2 | -34.8 | 0 | 0 | 0 | 106.1 | G17 D21 | G17-D19 PolarHBondContact O-N 2.99Å; D19-D21 PolarHBondContact O-N 3.31Å | ||
| 20 | E | 54.9 | Low | 55.4 | Low | 132 Ų | 132 | 101.9 Ų | 101.9 | 62% | 0.617 | 64% | 0.635 | S | S | * | * | trans | -61.2 | 100.8 | 157.5 | -84.5 | 170.9 | 180 | 0 | 0 | 104.5 | T18 P22 | T18-E20 HydrophobicContact CG2-CG 4.41Å; T18-E20 PolarHBondContact O-N 3.14Å; E20-P22 WeakPolarHBondContact O-CD 3.4Å; E20-P22 VanDerWaalsContact O-N 3.09Å | ||
| 21 | D | 62.3 | Low | 56.6 | Low | 92 Ų | 92 | 102.9 Ų | 102.9 | 49% | 0.492 | 63% | 0.628 | S | S | . | * | trans | -45.3 | 120.6 | 163 | 176.2 | -0.3 | 0 | 0 | 0 | 106.8 | D19 A23 A24 A25 | D19-D21 PolarHBondContact O-N 3.31Å; D21-A23 PolarHBondContact O-N 3.17Å; D21-A23 WeakPolarHBondContact OD1-CB 3.31Å; D21-A23 PolarHBondContact OD1-N 3.15Å; D21-A24 HydrophobicContact CB-CB 3.88Å; D21-A24 WeakPolarHBondContact O-CA 3.14Å; D21-A24 WeakPolarHBondContact O-CB 3.44Å; D21-A24 PolarHBondContact O-N 2.79Å; D21-A25 PolarHBondContact O-N 2.86Å | ||
| 22 | P | 70.7 | Confident | 58.2 | Low | 107 Ų | 107 | 97.4 Ų | 97.4 | 70% | 0.695 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -55.6 | -22.6 | 179.1 | 18.8 | -30 | 0 | 0 | 0 | 112 | E20 F26 | E20-P22 WeakPolarHBondContact O-CD 3.4Å; E20-P22 VanDerWaalsContact O-N 3.09Å; P22-F26 WeakPolarHBondContact O-CB 3.49Å; P22-F26 PolarHBondContact O-N 2.94Å |
| 23 | A | 61 | Low | 59.3 | Low | 49 Ų | 49 | 99.3 Ų | 99.3 | 41% | 0.405 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -73.8 | -36.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D21 F26 L27 | D21-A23 PolarHBondContact O-N 3.17Å; D21-A23 WeakPolarHBondContact OD1-CB 3.31Å; D21-A23 PolarHBondContact OD1-N 3.15Å; A23-F26 PolarHBondContact O-N 3.44Å; A23-L27 WeakPolarHBondContact O-CB 3.38Å; A23-L27 WeakPolarHBondContact O-CG 3.14Å; A23-L27 PolarHBondContact O-N 3.24Å |
| 24 | A | 73.6 | Confident | 60.4 | Low | 50 Ų | 50 | 99.4 Ų | 99.4 | 41% | 0.413 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.8 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | D21 F26 L27 A28 | D21-A24 HydrophobicContact CB-CB 3.88Å; D21-A24 WeakPolarHBondContact O-CA 3.14Å; D21-A24 WeakPolarHBondContact O-CB 3.44Å; D21-A24 PolarHBondContact O-N 2.79Å; A24-F26 VanDerWaalsContact C-N 3.32Å; A24-F26 PolarHBondContact O-N 3.41Å; A24-L27 PolarHBondContact O-N 2.86Å; A24-A28 WeakPolarHBondContact O-CB 3.11Å; A24-A28 PolarHBondContact O-N 3.05Å |
| 25 | A | 73.9 | Confident | 61.1 | Low | 40 Ų | 40 | 97.9 Ų | 97.9 | 33% | 0.331 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.2 | -38.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | D21 Q29 | D21-A25 PolarHBondContact O-N 2.86Å; A25-Q29 VanDerWaalsContact O-CB 3.22Å; A25-Q29 WeakPolarHBondContact O-CB 3.2Å; A25-Q29 PolarHBondContact O-N 3.4Å |
| 26 | F | 71.1 | Confident | 62 | Low | 121 Ų | 121 | 97.1 Ų | 97.1 | 53% | 0.531 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.1 | -40.5 | 175.7 | -177.6 | -98.3 | 0 | 0 | 0 | 112.9 | P22 A23 A24 Q29 Q30 | P22-F26 WeakPolarHBondContact O-CB 3.49Å; P22-F26 PolarHBondContact O-N 2.94Å; A23-F26 PolarHBondContact O-N 3.44Å; A24-F26 VanDerWaalsContact C-N 3.32Å; A24-F26 PolarHBondContact O-N 3.41Å; F26-Q29 PolarHBondContact O-N 2.76Å; F26-Q30 HydrophobicContact CD1-CG 4.3Å; F26-Q30 HydrophobicContact CE1-CG 3.92Å; F26-Q30 HydrophobicContact CZ-CG 4.08Å; F26-Q30 WeakPolarHBondContact O-CB 3.48Å; F26-Q30 WeakPolarHBondContact O-CG 3.27Å; F26-Q30 PolarHBondContact O-N 3.38Å |
| 27 | L | 74.1 | Confident | 62.3 | Low | 112 Ų | 112 | 94.4 Ų | 94.4 | 59% | 0.586 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.1 | -41.9 | 175.6 | -75.2 | 169.3 | 0 | 0 | 0 | 111.9 | A23 A24 Q29 Q30 E31 | A23-L27 WeakPolarHBondContact O-CB 3.38Å; A23-L27 WeakPolarHBondContact O-CG 3.14Å; A23-L27 PolarHBondContact O-N 3.24Å; A24-L27 PolarHBondContact O-N 2.86Å; L27-Q29 VanDerWaalsContact C-N 3.34Å; L27-Q30 PolarHBondContact O-N 3.42Å; L27-E31 PolarHBondContact O-N 2.93Å |
| 28 | A | 76.1 | Confident | 63 | Low | 54 Ų | 54 | 100.1 Ų | 100.1 | 45% | 0.446 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -37.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A24 E31 S32 | A24-A28 WeakPolarHBondContact O-CB 3.11Å; A24-A28 PolarHBondContact O-N 3.05Å; A28-E31 PolarHBondContact O-N 3.28Å; A28-S32 WeakPolarHBondContact O-CB 3.08Å; A28-S32 PolarHBondContact O-N 3.4Å |
| 29 | Q | 74.6 | Confident | 63.4 | Low | 124 Ų | 124 | 102.4 Ų | 102.4 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.4 | -44.3 | 174.1 | -174 | 172.9 | -6.7 | 0 | 0 | 111.3 | A25 F26 L27 S32 E33 | A25-Q29 VanDerWaalsContact O-CB 3.22Å; A25-Q29 WeakPolarHBondContact O-CB 3.2Å; A25-Q29 PolarHBondContact O-N 3.4Å; F26-Q29 PolarHBondContact O-N 2.76Å; L27-Q29 VanDerWaalsContact C-N 3.34Å; Q29-S32 PolarHBondContact O-N 3.25Å; Q29-S32 PolarHBondContact O-OG 3.11Å; Q29-E33 WeakPolarHBondContact O-CB 3.47Å; Q29-E33 PolarHBondContact O-N 3.3Å |
| 30 | Q | 68.6 | Low | 63.3 | Low | 88 Ų | 88 | 100.6 Ų | 100.6 | 41% | 0.411 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.9 | -42.3 | 173.8 | -81.2 | -107.7 | -17.8 | 0 | 0 | 112.8 | F26 L27 S32 E33 I34 | F26-Q30 HydrophobicContact CD1-CG 4.3Å; F26-Q30 HydrophobicContact CE1-CG 3.92Å; F26-Q30 HydrophobicContact CZ-CG 4.08Å; F26-Q30 WeakPolarHBondContact O-CB 3.48Å; F26-Q30 WeakPolarHBondContact O-CG 3.27Å; F26-Q30 PolarHBondContact O-N 3.38Å; L27-Q30 PolarHBondContact O-N 3.42Å; Q30-S32 VanDerWaalsContact C-N 3.33Å; Q30-S32 PolarHBondContact O-N 2.96Å; Q30-E33 PolarHBondContact O-N 3.16Å; Q30-I34 WeakPolarHBondContact O-CB 3.37Å; Q30-I34 PolarHBondContact O-N 3.04Å |
| 31 | E | 67.6 | Low | 63.3 | Low | 147 Ų | 147 | 102.9 Ų | 102.9 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62 | -40.8 | 174.3 | -86.3 | -174.9 | 151.9 | 0 | 0 | 111.6 | L27 A28 I34 A35 | L27-E31 PolarHBondContact O-N 2.93Å; A28-E31 PolarHBondContact O-N 3.28Å; E31-I34 PolarHBondContact O-N 3.1Å; E31-A35 VanDerWaalsContact O-CB 3.29Å; E31-A35 WeakPolarHBondContact O-CB 3.48Å; E31-A35 PolarHBondContact O-N 3.1Å |
| 32 | S | 70.7 | Confident | 63 | Low | 77 Ų | 77 | 101.1 Ų | 101.1 | 54% | 0.538 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.5 | -32.8 | 177 | 76.4 | 0 | 0 | 0 | 0 | 113.2 | A28 Q29 Q30 G36 | A28-S32 WeakPolarHBondContact O-CB 3.08Å; A28-S32 PolarHBondContact O-N 3.4Å; Q29-S32 PolarHBondContact O-N 3.25Å; Q29-S32 PolarHBondContact O-OG 3.11Å; Q30-S32 VanDerWaalsContact C-N 3.33Å; Q30-S32 PolarHBondContact O-N 2.96Å; S32-G36 PolarHBondContact O-N 2.97Å |
| 33 | E | 63.4 | Low | 61.7 | Low | 121 Ų | 121 | 104.6 Ų | 104.6 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -71.3 | -39.8 | 176.1 | -168.5 | 173.7 | 173.1 | 0 | 0 | 110.8 | Q29 Q30 G36 I37 | Q29-E33 WeakPolarHBondContact O-CB 3.47Å; Q29-E33 PolarHBondContact O-N 3.3Å; Q30-E33 PolarHBondContact O-N 3.16Å; E33-G36 PolarHBondContact O-N 3.36Å; E33-I37 WeakPolarHBondContact O-CG1 3.45Å |
| 34 | I | 56.5 | Low | 61.2 | Low | 111 Ų | 111 | 107.1 Ų | 107.1 | 57% | 0.569 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.5 | -41.1 | 173.8 | -93.4 | 163.6 | 0 | 0 | 0 | 112.6 | Q30 E31 G36 I37 E38 | Q30-I34 WeakPolarHBondContact O-CB 3.37Å; Q30-I34 PolarHBondContact O-N 3.04Å; E31-I34 PolarHBondContact O-N 3.1Å; I34-G36 PolarHBondContact O-N 3.29Å; I34-I37 PolarHBondContact O-N 3.37Å; I34-E38 PolarHBondContact O-N 3.22Å |
| 35 | A | 59.6 | Low | 60 | Low | 63 Ų | 63 | 111.5 Ų | 111.5 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.2 | -22.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E31 | E31-A35 VanDerWaalsContact O-CB 3.29Å; E31-A35 WeakPolarHBondContact O-CB 3.48Å; E31-A35 PolarHBondContact O-N 3.1Å |
| 36 | G | 49.1 | Very low | 58.8 | Low | 50 Ų | 50 | 116 Ų | 116 | 52% | 0.515 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -74.8 | -23.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S32 E33 I34 | S32-G36 PolarHBondContact O-N 2.97Å; E33-G36 PolarHBondContact O-N 3.36Å; I34-G36 PolarHBondContact O-N 3.29Å |
| 37 | I | 50.5 | Low | 57.6 | Low | 115 Ų | 115 | 117.5 Ų | 117.5 | 59% | 0.59 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -86.1 | -24.8 | -178.5 | -55.5 | 161.8 | 0 | 0 | 0 | 111.5 | E33 I34 N39 D40 | E33-I37 WeakPolarHBondContact O-CG1 3.45Å; I34-I37 PolarHBondContact O-N 3.37Å; I37-N39 PolarHBondContact O-N 3.35Å; I37-D40 PolarHBondContact O-N 3.07Å |
| 38 | E | 52.1 | Low | 56.7 | Low | 180 Ų | 180 | 116.6 Ų | 116.6 | 84% | 0.841 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -20 | 177.6 | -167.1 | 175.9 | -169 | 0 | 0 | 112.9 | I34 | I34-E38 PolarHBondContact O-N 3.22Š|
| 39 | N | 52.9 | Low | 55.4 | Low | 151 Ų | 151 | 118.4 Ų | 118.4 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | 7.6 | 179.9 | -152.4 | 31 | 0 | 0 | 0 | 113.8 | I37 | I37-N39 PolarHBondContact O-N 3.35Š|
| 40 | D | 47 | Very low | 54.4 | Low | 128 Ų | 128 | 121.2 Ų | 121.2 | 68% | 0.684 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -99.8 | 124.9 | 175 | -143.7 | 16.6 | 0 | 0 | 0 | 109 | I37 G42 | I37-D40 PolarHBondContact O-N 3.07Å; D40-G42 PolarHBondContact O-N 3.15Å |
| 41 | E | 54.8 | Low | 53.7 | Low | 180 Ų | 180 | 123.3 Ų | 123.3 | 84% | 0.841 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -64.5 | 19.8 | -166.9 | -59.4 | -168.8 | 159.4 | 0 | 0 | 115.6 | F43 | E41-F43 PolarHBondContact O-N 3.37Š|
| 42 | G | 54.5 | Low | 52.8 | Low | 56 Ų | 56 | 121.2 Ų | 121.2 | 58% | 0.577 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -76 | -15.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D40 | D40-G42 PolarHBondContact O-N 3.15Š|
| 43 | F | 44.8 | Very low | 52 | Low | 180 Ų | 180 | 124 Ų | 124 | 79% | 0.789 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -87.8 | 0.5 | -178.4 | -135.6 | -92.7 | 0 | 0 | 0 | 114.6 | E41 I45 L46 | E41-F43 PolarHBondContact O-N 3.37Å; F43-I45 PolarHBondContact O-N 3.32Å; F43-L46 HydrophobicContact CE1-CD1 3.99Å; F43-L46 HydrophobicContact CZ-CD1 4.11Å |
| 44 | S | 49.3 | Very low | 51.6 | Low | 102 Ų | 102 | 123.5 Ų | 123.5 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -74.7 | -1.4 | 172.3 | -69.2 | 0 | 0 | 0 | 0 | 113.8 | L46 | S44-L46 VanDerWaalsContact C-N 3.32Å; S44-L46 PolarHBondContact O-N 3.37Å |
| 45 | I | 49.5 | Very low | 51.3 | Low | 142 Ų | 142 | 125.2 Ų | 125.2 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -84.9 | 4.2 | -174.7 | -146.8 | 164.1 | 0 | 0 | 0 | 114.8 | F43 | F43-I45 PolarHBondContact O-N 3.32Š|
| 46 | L | 48.1 | Very low | 50.7 | Low | 133 Ų | 133 | 128.8 Ų | 128.8 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -98.4 | -2 | 179.8 | -101.1 | 136.6 | 0 | 0 | 0 | 114.6 | F43 S44 | F43-L46 HydrophobicContact CE1-CD1 3.99Å; F43-L46 HydrophobicContact CZ-CD1 4.11Å; S44-L46 VanDerWaalsContact C-N 3.32Å; S44-L46 PolarHBondContact O-N 3.37Å |
| 47 | D | 45.8 | Very low | 50.8 | Low | 153 Ų | 153 | 134.2 Ų | 134.2 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -88.6 | -16 | 176 | -171.6 | 59.3 | 0 | 0 | 0 | 113.6 | ||
| 48 | S | 54.3 | Low | 50.7 | Low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -118 | 94 | 176.4 | -68.5 | 0 | 0 | 0 | 0 | 109.4 | E50 | S48-E50 PolarHBondContact O-N 3.48Š|
| 49 | G | 50.6 | Low | 50.4 | Low | 91 Ų | 91 | 134.8 Ų | 134.8 | 94% | 0.938 | 77% | 0.771 | S | S | * | * | trans | -59.6 | 86.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 50 | E | 52.3 | Low | 50.1 | Low | 184 Ų | 184 | 134.1 Ų | 134.1 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -130.4 | 124 | 167.3 | -146.1 | 174.1 | -158.9 | 0 | 0 | 109.5 | S48 | S48-E50 PolarHBondContact O-N 3.48Š| ||
| 51 | V | 53.9 | Low | 49.7 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -90.8 | 147.2 | 179.6 | -74.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 52 | P | 48.5 | Very low | 48.7 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | trans | -70.1 | 138.9 | 177.9 | -0.7 | 13.7 | 0 | 0 | 0 | 111.4 | S54 | P52-S54 PolarHBondContact O-N 2.86Š| ||
| 53 | T | 54.9 | Low | 48.4 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 16.1 | 179.1 | 40.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 54 | S | 55.5 | Low | 48.1 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -3.1 | -176.4 | -44.9 | 0 | 0 | 0 | 0 | 114.3 | P52 | P52-S54 PolarHBondContact O-N 2.86Š|
| 55 | L | 50.1 | Low | 47.5 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -106 | -1.8 | -176.3 | -159.3 | 63.9 | 0 | 0 | 0 | 114.5 | ||
| 56 | D | 45.3 | Very low | 47.1 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -83.4 | -13 | -175 | -107.4 | -37.7 | 0 | 0 | 0 | 114.7 | N58 | D56-N58 PolarHBondContact O-N 3.23Š|
| 57 | N | 51.7 | Low | 46.8 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -95.7 | 10.5 | -165.4 | -124.2 | 47.6 | 0 | 0 | 0 | 116 | ||
| 58 | N | 49.1 | Very low | 46.3 | Very low | 156 Ų | 156 | 130 Ų | 130 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -132.7 | 13.7 | -174.5 | -143.2 | -9.4 | 0 | 0 | 0 | 115.7 | D56 | D56-N58 PolarHBondContact O-N 3.23Š|
| 59 | L | 45.8 | Very low | 45.5 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -117.4 | 3.8 | -177.7 | -85.1 | 152.5 | 0 | 0 | 0 | 114.9 | ||
| 60 | T | 46.2 | Very low | 45.1 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -131.8 | 69.6 | 174 | 58.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 61 | G | 38.7 | Very low | 44.9 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -110.8 | 78.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 62 | D | 33.2 | Very low | 44.7 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | -62 | 143.5 | 177.3 | -173.4 | 27.6 | 0 | 0 | 0 | 111.7 | ||||
| 63 | A | 48.5 | Very low | 44.3 | Very low | 80 Ų | 80 | 127 Ų | 127 | 66% | 0.661 | 79% | 0.794 | S | S | * | * | trans | -74.8 | 127.8 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 64 | N | 39.5 | Very low | 43.4 | Very low | 145 Ų | 145 | 127.4 Ų | 127.4 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -144.7 | 99.6 | 155.6 | -69.8 | -75.2 | 0 | 0 | 0 | 105.6 | ||||
| 65 | D | 36.2 | Very low | 42.9 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | 55.7 | 132.7 | 91.1 | -163.9 | 40 | 0 | 0 | 0 | 114.6 | |||||
| 66 | A | 40.8 | Very low | 42.5 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 63% | 0.628 | 80% | 0.798 | S | S | * | * | trans | 85.3 | 105.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 67 | V | 41.4 | Very low | 42.4 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | 105.7 | 135.5 | 118.9 | 162.7 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 68 | D | 35.5 | Very low | 41.9 | Very low | 163 Ų | 163 | 133.3 Ų | 133.3 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | 82.7 | 125.8 | 160.1 | -119.2 | 26.1 | 0 | 0 | 0 | 116.2 | ||||
| 69 | G | 37.7 | Very low | 41.6 | Very low | 66 Ų | 66 | 131.5 Ų | 131.5 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | cis | 133.6 | 98.2 | 28.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 70 | A | 42.7 | Very low | 41.8 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | trans | -163.9 | 93.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 71 | V | 48.7 | Very low | 42.3 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | -82.6 | 143.5 | 158.7 | 67 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 72 | N | 49.1 | Very low | 42.9 | Very low | 163 Ų | 163 | 130 Ų | 130 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | 128.5 | 135.8 | 164.6 | -74.5 | -33 | 0 | 0 | 0 | 110.6 | ||||
| 73 | G | 40.8 | Very low | 44.1 | Very low | 76 Ų | 76 | 127.9 Ų | 127.9 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | cis | -160.8 | -176.1 | -3.3 | 0 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 74 | D | 35.4 | Very low | 44.8 | Very low | 144 Ų | 144 | 128.4 Ų | 128.4 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | cis | -167.4 | 162.7 | 14.8 | 177.7 | 27.6 | 0 | 0 | 0 | 104.3 | N76 | D74-N76 PolarHBondContact O-N 3.42Š| ||
| 75 | L | 44.9 | Very low | 46 | Very low | 153 Ų | 153 | 124 Ų | 124 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | trans | -50.3 | 123.5 | -174.3 | -62.3 | 149.9 | 0 | 0 | 0 | 113.2 | ||||
| 76 | N | 41.2 | Very low | 47.3 | Very low | 164 Ų | 164 | 125.6 Ų | 125.6 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | -108.5 | 102.4 | 154.3 | -86.3 | -20.4 | 0 | 0 | 0 | 109 | D74 E78 | D74-N76 PolarHBondContact O-N 3.42Å; N76-E78 PolarHBondContact O-N 3.09Å | ||
| 77 | E | 43.5 | Very low | 48.6 | Very low | 189 Ų | 189 | 124.7 Ų | 124.7 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | trans | -24.1 | 101.9 | 166.3 | -160.1 | 169.4 | -175.8 | 0 | 0 | 115 | S79 | E77-S79 PolarHBondContact O-N 3.13Å; E77-S79 VanDerWaalsContact O-N 3.11Å | ||
| 78 | E | 40.7 | Very low | 49.8 | Very low | 178 Ų | 178 | 121 Ų | 121 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -72.5 | 95.4 | 166.4 | -73.1 | -176.7 | 144 | 0 | 0 | 109.8 | N76 N80 | N76-E78 PolarHBondContact O-N 3.09Å; E78-N80 PolarHBondContact O-N 3.12Å | ||
| 79 | S | 44.1 | Very low | 51.3 | Low | 117 Ų | 117 | 118.6 Ų | 118.6 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | -76.1 | 97.4 | 164.7 | -166.8 | 0 | 0 | 0 | 0 | 109.6 | E77 G81 | E77-S79 PolarHBondContact O-N 3.13Å; E77-S79 VanDerWaalsContact O-N 3.11Å; S79-G81 PolarHBondContact O-N 3.35Å | ||
| 80 | N | 49.4 | Very low | 52.7 | Low | 155 Ų | 155 | 118.1 Ų | 118.1 | 83% | 0.829 | 70% | 0.701 | S | S | * | * | trans | -69.4 | 87.5 | 169.3 | -93.2 | -37.8 | 0 | 0 | 0 | 111 | E78 | E78-N80 PolarHBondContact O-N 3.12Š| ||
| 81 | G | 56.6 | Low | 53.7 | Low | 44 Ų | 44 | 115.4 Ų | 115.4 | 45% | 0.454 | 68% | 0.675 | S | S | . | * | trans | -89.9 | 161.9 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S79 S83 | S79-G81 PolarHBondContact O-N 3.35Å; G81-S83 PolarHBondContact O-N 3.08Å | ||
| 82 | P | 51.1 | Low | 54.3 | Low | 138 Ų | 138 | 111.3 Ų | 111.3 | 90% | 0.896 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -54 | 113.6 | -179.9 | 23.6 | -31.5 | 0 | 0 | 0 | 108.5 | D84 | P82-D84 PolarHBondContact O-N 2.95Š|
| 83 | S | 59.1 | Low | 55 | Low | 106 Ų | 106 | 108.5 Ų | 108.5 | 74% | 0.741 | 64% | 0.64 | S | S | * | * | trans | -57.1 | 113.9 | -169 | 74.9 | 0 | 0 | 0 | 0 | 108.7 | G81 A85 | G81-S83 PolarHBondContact O-N 3.08Å; S83-A85 PolarHBondContact O-N 2.87Å | ||
| 84 | D | 62 | Low | 56.1 | Low | 92 Ų | 92 | 114.7 Ų | 114.7 | 49% | 0.492 | 64% | 0.64 | S | S | . | * | trans | -70.3 | 78.2 | 165.8 | -172.4 | -7.8 | 0 | 0 | 0 | 107.2 | P82 Y86 S87 A88 | P82-D84 PolarHBondContact O-N 2.95Å; D84-Y86 PolarHBondContact O-N 2.76Å; D84-Y86 VanDerWaalsContact O-N 3.15Å; D84-Y86 PolarHBondContact OD1-N 3.22Å; D84-S87 CarbonylContact O-C 3.6Å; D84-S87 PolarHBondContact O-N 3.23Å; D84-S87 PolarHBondContact OD1-N 3.45Å; D84-S87 WeakPolarHBondContact OD2-CB 3.43Å; D84-S87 PolarHBondContact OD2-OG 3.13Å; D84-A88 PolarHBondContact O-N 3.23Å | ||
| 85 | A | 64.6 | Low | 57.3 | Low | 51 Ų | 51 | 115.1 Ų | 115.1 | 42% | 0.421 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -56.1 | -29.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110 | S83 I89 | S83-A85 PolarHBondContact O-N 2.87Å; A85-I89 VanDerWaalsContact O-CB 3.22Å; A85-I89 WeakPolarHBondContact O-CB 3.4Å; A85-I89 WeakPolarHBondContact O-CD1 3.07Å; A85-I89 WeakPolarHBondContact O-CG1 3.45Å; A85-I89 PolarHBondContact O-N 3.01Å |
| 86 | Y | 63.6 | Low | 57.9 | Low | 193 Ų | 193 | 115.5 Ų | 115.5 | 76% | 0.757 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.4 | -37.5 | 175.9 | -150.1 | -94.1 | 0 | 0 | 0 | 112.5 | D84 S90 | D84-Y86 PolarHBondContact O-N 2.76Å; D84-Y86 VanDerWaalsContact O-N 3.15Å; D84-Y86 PolarHBondContact OD1-N 3.22Å; Y86-S90 WeakPolarHBondContact O-CB 3.48Å; Y86-S90 PolarHBondContact O-N 2.63Å; Y86-S90 PolarHBondContact O-OG 3.41Å |
| 87 | S | 67.6 | Low | 59 | Low | 58 Ų | 58 | 110.4 Ų | 110.4 | 41% | 0.406 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -71.1 | -33.7 | 169.6 | -75.2 | 0 | 0 | 0 | 0 | 113.1 | D84 S90 S91 | D84-S87 CarbonylContact O-C 3.6Å; D84-S87 PolarHBondContact O-N 3.23Å; D84-S87 PolarHBondContact OD1-N 3.45Å; D84-S87 WeakPolarHBondContact OD2-CB 3.43Å; D84-S87 PolarHBondContact OD2-OG 3.13Å; S87-S90 WeakPolarHBondContact CA-OG 3.47Å; S87-S90 PolarHBondContact O-OG 3.25Å; S87-S91 WeakPolarHBondContact O-CB 3.44Å; S87-S91 PolarHBondContact O-N 3.43Å; S87-S91 PolarHBondContact O-OG 2.91Å |
| 88 | A | 67.3 | Low | 60 | Low | 56 Ų | 56 | 106.3 Ų | 106.3 | 46% | 0.463 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -68.7 | -43.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | D84 S91 A92 | D84-A88 PolarHBondContact O-N 3.23Å; A88-S91 PolarHBondContact O-OG 3.33Å; A88-S91 VanDerWaalsContact O-OG 3.1Å; A88-A92 VanDerWaalsContact O-CB 3.24Å; A88-A92 WeakPolarHBondContact O-CB 3.39Å; A88-A92 PolarHBondContact O-N 3.07Å |
| 89 | I | 66.7 | Low | 61.8 | Low | 112 Ų | 112 | 101.4 Ų | 101.4 | 57% | 0.574 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.8 | -46.7 | 176 | -67.7 | 162.2 | 0 | 0 | 0 | 110.3 | A85 A92 D93 | A85-I89 VanDerWaalsContact O-CB 3.22Å; A85-I89 WeakPolarHBondContact O-CB 3.4Å; A85-I89 WeakPolarHBondContact O-CD1 3.07Å; A85-I89 WeakPolarHBondContact O-CG1 3.45Å; A85-I89 PolarHBondContact O-N 3.01Å; I89-A92 PolarHBondContact O-N 3.36Å; I89-D93 VanDerWaalsContact O-CB 3.29Å; I89-D93 WeakPolarHBondContact O-CB 3.31Å; I89-D93 PolarHBondContact O-N 2.81Å |
| 90 | S | 68.1 | Low | 63.3 | Low | 56 Ų | 56 | 101.2 Ų | 101.2 | 39% | 0.392 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.8 | -29.4 | 179.6 | 62 | 0 | 0 | 0 | 0 | 114.1 | Y86 S87 R94 | Y86-S90 WeakPolarHBondContact O-CB 3.48Å; Y86-S90 PolarHBondContact O-N 2.63Å; Y86-S90 PolarHBondContact O-OG 3.41Å; S87-S90 WeakPolarHBondContact CA-OG 3.47Å; S87-S90 PolarHBondContact O-OG 3.25Å; S90-R94 WeakPolarHBondContact O-CB 3.45Å; S90-R94 PolarHBondContact O-N 3.15Å |
| 91 | S | 63.8 | Low | 64.8 | Low | 49 Ų | 49 | 98 Ų | 98 | 34% | 0.343 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -72.9 | -38.5 | 170 | 58.1 | 0 | 0 | 0 | 0 | 111.5 | S87 A88 R94 L95 | S87-S91 WeakPolarHBondContact O-CB 3.44Å; S87-S91 PolarHBondContact O-N 3.43Å; S87-S91 PolarHBondContact O-OG 2.91Å; A88-S91 PolarHBondContact O-OG 3.33Å; A88-S91 VanDerWaalsContact O-OG 3.1Å; S91-R94 PolarHBondContact O-N 3.36Å; S91-L95 WeakPolarHBondContact O-CB 3.37Å; S91-L95 WeakPolarHBondContact O-CD1 3.34Å; S91-L95 WeakPolarHBondContact O-CG 3.41Å; S91-L95 PolarHBondContact O-N 2.87Å |
| 92 | A | 61.8 | Low | 65.9 | Low | 43 Ų | 43 | 99 Ų | 99 | 36% | 0.355 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63 | -41.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A88 I89 L95 Q96 | A88-A92 VanDerWaalsContact O-CB 3.24Å; A88-A92 WeakPolarHBondContact O-CB 3.39Å; A88-A92 PolarHBondContact O-N 3.07Å; I89-A92 PolarHBondContact O-N 3.36Å; A92-L95 CarbonylContact O-C 3.58Å; A92-L95 WeakPolarHBondContact O-CB 3.36Å; A92-L95 PolarHBondContact O-N 3.38Å; A92-L95 VanDerWaalsContact O-N 3.16Å; A92-Q96 PolarHBondContact O-N 3.31Å |
| 93 | D | 62.6 | Low | 67.5 | Low | 105 Ų | 105 | 96.8 Ų | 96.8 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.9 | -36.2 | 177.8 | -144.5 | 26.3 | 0 | 0 | 0 | 111.2 | I89 L95 Q96 A97 | I89-D93 VanDerWaalsContact O-CB 3.29Å; I89-D93 WeakPolarHBondContact O-CB 3.31Å; I89-D93 PolarHBondContact O-N 2.81Å; D93-L95 VanDerWaalsContact C-N 3.29Å; D93-L95 PolarHBondContact O-N 3.48Å; D93-Q96 PolarHBondContact O-N 2.86Å; D93-A97 WeakPolarHBondContact O-CA 3.16Å; D93-A97 WeakPolarHBondContact O-CB 3.37Å; D93-A97 PolarHBondContact O-N 3.35Å |
| 94 | R | 63.7 | Low | 68.9 | Low | 206 Ų | 206 | 97.1 Ų | 97.1 | 78% | 0.777 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.9 | -23.9 | 170.9 | -177.4 | 178.4 | 141.5 | -124.2 | -7.5 | 113.1 | S90 S91 | S90-R94 WeakPolarHBondContact O-CB 3.45Å; S90-R94 PolarHBondContact O-N 3.15Å; S91-R94 PolarHBondContact O-N 3.36Å |
| 95 | L | 60.3 | Low | 70.3 | Confident | 152 Ų | 152 | 99.5 Ų | 99.5 | 80% | 0.796 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -84.2 | -30.3 | 173.7 | -72.6 | 166 | 0 | 0 | 0 | 112 | S91 A92 D93 | S91-L95 WeakPolarHBondContact O-CB 3.37Å; S91-L95 WeakPolarHBondContact O-CD1 3.34Å; S91-L95 WeakPolarHBondContact O-CG 3.41Å; S91-L95 PolarHBondContact O-N 2.87Å; A92-L95 CarbonylContact O-C 3.58Å; A92-L95 WeakPolarHBondContact O-CB 3.36Å; A92-L95 PolarHBondContact O-N 3.38Å; A92-L95 VanDerWaalsContact O-N 3.16Å; D93-L95 VanDerWaalsContact C-N 3.29Å; D93-L95 PolarHBondContact O-N 3.48Å |
| 96 | Q | 58.6 | Low | 71.6 | Confident | 162 Ų | 162 | 101.6 Ų | 101.6 | 76% | 0.757 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -84.8 | -30.4 | 173.6 | -86.1 | -174.5 | -80.8 | 0 | 0 | 113.5 | A92 D93 E98 | A92-Q96 PolarHBondContact O-N 3.31Å; D93-Q96 PolarHBondContact O-N 2.86Å; Q96-E98 PolarHBondContact O-N 3Å |
| 97 | A | 63.6 | Low | 72.9 | Confident | 56 Ų | 56 | 96.8 Ų | 96.8 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -72 | 110.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | D93 | D93-A97 WeakPolarHBondContact O-CA 3.16Å; D93-A97 WeakPolarHBondContact O-CB 3.37Å; D93-A97 PolarHBondContact O-N 3.35Å |
| 98 | E | 64.6 | Low | 74.1 | Confident | 103 Ų | 103 | 99.4 Ų | 99.4 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | trans | -53.9 | 134 | 167.7 | -65.3 | -165.3 | 132.4 | 0 | 0 | 109 | Q96 E100 R106 | Q96-E98 PolarHBondContact O-N 3Å; E98-E100 PolarHBondContact O-N 2.97Å; E98-R106 IonicContact OE1-CZ 2.77Å; E98-R106 VanDerWaalsContact OE1-CZ 3.29Å; E98-R106 IonicContact OE1-NH1 3.29Å; E98-R106 PolarHBondContact OE1-NH1 3.39Å; E98-R106 IonicContact OE1-NH2 2.9Å; E98-R106 PolarHBondContact OE1-NH2 3.42Å; E98-R106 IonicContact OE2-CZ 3.72Å; E98-R106 IonicContact OE2-NH1 3.83Å; E98-R106 PolarHBondContact OE2-NH1 2.95Å | ||
| 99 | P | 79.1 | Confident | 75.4 | Confident | 76 Ų | 76 | 100.8 Ų | 100.8 | 49% | 0.494 | 50% | 0.503 | S | S | . | . | trans | -55 | 127.7 | 176.2 | -24 | 32.3 | 0 | 0 | 0 | 109.6 | S101 L102 R103 | P99-S101 PolarHBondContact O-N 3.14Å; P99-L102 HydrophobicContact CB-CB 4.39Å; P99-L102 WeakPolarHBondContact O-CA 3.43Å; P99-L102 WeakPolarHBondContact O-CB 3.33Å; P99-L102 PolarHBondContact O-N 3.45Å; P99-R103 PolarHBondContact O-N 3.03Å; P99-R103 VanDerWaalsContact O-N 3.13Å | ||
| 100 | E | 75.3 | Confident | 76.7 | Confident | 112 Ų | 112 | 103.6 Ų | 103.6 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -52.8 | -27.5 | 177.2 | -77.1 | -69.3 | 151 | 0 | 0 | 112.6 | E98 R103 K104 | E98-E100 PolarHBondContact O-N 2.97Å; E100-R103 PolarHBondContact O-N 3.44Å; E100-R103 IonicContact OE1-NE 2.9Å; E100-R103 IonicContact OE2-CZ 2.96Å; E100-R103 VanDerWaalsContact OE2-CZ 3.28Å; E100-R103 IonicContact OE2-NE 3.28Å; E100-R103 PolarHBondContact OE2-NE 3.34Å; E100-R103 IonicContact OE2-NH2 3.75Å; E100-R103 PolarHBondContact OE2-NH2 3.29Å; E100-K104 WeakPolarHBondContact O-CB 3.32Å; E100-K104 VanDerWaalsContact O-CG 3.27Å; E100-K104 WeakPolarHBondContact O-CG 3.27Å; E100-K104 PolarHBondContact O-N 2.91Å |
| 101 | S | 80.9 | Confident | 78 | Confident | 87 Ų | 87 | 107 Ų | 107 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.7 | -39.1 | 172 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | P99 W105 | P99-S101 PolarHBondContact O-N 3.14Å; S101-W105 VanDerWaalsContact O-CB 3.3Å; S101-W105 WeakPolarHBondContact O-CB 3.16Å; S101-W105 PolarHBondContact O-N 3.31Å |
| 102 | L | 79.9 | Confident | 79.6 | Confident | 65 Ų | 65 | 113.5 Ų | 113.5 | 34% | 0.34 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.2 | -37.3 | 176.3 | -173 | 64.7 | 0 | 0 | 0 | 111 | P99 W105 R106 | P99-L102 HydrophobicContact CB-CB 4.39Å; P99-L102 WeakPolarHBondContact O-CA 3.43Å; P99-L102 WeakPolarHBondContact O-CB 3.33Å; P99-L102 PolarHBondContact O-N 3.45Å; L102-W105 HydrophobicContact CD1-CE3 4.13Å; L102-W105 PolarHBondContact O-N 3.4Å; L102-R106 WeakPolarHBondContact O-CG 2.98Å; L102-R106 PolarHBondContact O-N 3.14Å |
| 103 | R | 85.2 | Confident | 81.2 | Confident | 93 Ų | 93 | 116.3 Ų | 116.3 | 35% | 0.351 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.9 | -52.2 | 172.8 | -172.6 | -177.6 | 68.6 | 81 | 0.7 | 111 | P99 E100 W105 R106 E107 | P99-R103 PolarHBondContact O-N 3.03Å; P99-R103 VanDerWaalsContact O-N 3.13Å; E100-R103 PolarHBondContact O-N 3.44Å; E100-R103 IonicContact OE1-NE 2.9Å; E100-R103 IonicContact OE2-CZ 2.96Å; E100-R103 VanDerWaalsContact OE2-CZ 3.28Å; E100-R103 IonicContact OE2-NE 3.28Å; E100-R103 PolarHBondContact OE2-NE 3.34Å; E100-R103 IonicContact OE2-NH2 3.75Å; E100-R103 PolarHBondContact OE2-NH2 3.29Å; R103-W105 VanDerWaalsContact C-N 3.3Å; R103-W105 PolarHBondContact O-N 3.38Å; R103-R106 PolarHBondContact O-N 3.41Å; R103-E107 WeakPolarHBondContact CG-OE1 3.33Å; R103-E107 IonicContact CZ-OE1 3.91Å; R103-E107 IonicContact CZ-OE2 2.74Å; R103-E107 IonicContact NH1-OE1 2.62Å; R103-E107 PolarHBondContact NH1-OE1 3.07Å; R103-E107 IonicContact NH1-OE2 2.68Å; R103-E107 PolarHBondContact NH1-OE2 3.18Å; R103-E107 WeakPolarHBondContact O-CG 3.36Å; R103-E107 PolarHBondContact O-N 3.5Å |
| 104 | K | 87.9 | Confident | 82.8 | Confident | 113 Ų | 113 | 117.2 Ų | 117.2 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.9 | -44.2 | 175.5 | -73.6 | 176.5 | -177.7 | -174.5 | 0 | 111.8 | E100 R106 E107 E108 | E100-K104 WeakPolarHBondContact O-CB 3.32Å; E100-K104 VanDerWaalsContact O-CG 3.27Å; E100-K104 WeakPolarHBondContact O-CG 3.27Å; E100-K104 PolarHBondContact O-N 2.91Å; K104-R106 PolarHBondContact O-N 2.91Å; K104-E107 PolarHBondContact O-N 2.88Å; K104-E108 WeakPolarHBondContact O-CB 3.38Å; K104-E108 WeakPolarHBondContact O-CG 3.47Å; K104-E108 PolarHBondContact O-N 3.29Å |
| 105 | W | 91.6 | Very high | 84.4 | Confident | 141 Ų | 141 | 111.8 Ų | 111.8 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 177.6 | -178 | 83.3 | 0 | 0 | 0 | 112.7 | S101 L102 R103 E107 E108 Q109 | S101-W105 VanDerWaalsContact O-CB 3.3Å; S101-W105 WeakPolarHBondContact O-CB 3.16Å; S101-W105 PolarHBondContact O-N 3.31Å; L102-W105 HydrophobicContact CD1-CE3 4.13Å; L102-W105 PolarHBondContact O-N 3.4Å; R103-W105 VanDerWaalsContact C-N 3.3Å; R103-W105 PolarHBondContact O-N 3.38Å; W105-E107 VanDerWaalsContact C-N 3.33Å; W105-E107 PolarHBondContact O-N 3.44Å; W105-E108 PolarHBondContact O-N 3.17Å; W105-Q109 HydrophobicContact CD2-CG 3.99Å; W105-Q109 HydrophobicContact CE3-CG 4.33Å; W105-Q109 HydrophobicContact CH2-CG 4.06Å; W105-Q109 HydrophobicContact CZ2-CG 3.68Å; W105-Q109 HydrophobicContact CZ3-CG 4.37Å; W105-Q109 WeakPolarHBondContact O-CB 3.48Å; W105-Q109 WeakPolarHBondContact O-CG 3.47Å; W105-Q109 PolarHBondContact O-N 3.47Å |
| 106 | R | 91.8 | Very high | 86.1 | Confident | 96 Ų | 96 | 109.9 Ų | 109.9 | 36% | 0.362 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -36.6 | 175.6 | -70.5 | -162.5 | -158.8 | 112.5 | -11.1 | 112.4 | E98 L102 R103 K104 R110 | E98-R106 IonicContact OE1-CZ 2.77Å; E98-R106 VanDerWaalsContact OE1-CZ 3.29Å; E98-R106 IonicContact OE1-NH1 3.29Å; E98-R106 PolarHBondContact OE1-NH1 3.39Å; E98-R106 IonicContact OE1-NH2 2.9Å; E98-R106 PolarHBondContact OE1-NH2 3.42Å; E98-R106 IonicContact OE2-CZ 3.72Å; E98-R106 IonicContact OE2-NH1 3.83Å; E98-R106 PolarHBondContact OE2-NH1 2.95Å; L102-R106 WeakPolarHBondContact O-CG 2.98Å; L102-R106 PolarHBondContact O-N 3.14Å; R103-R106 PolarHBondContact O-N 3.41Å; K104-R106 PolarHBondContact O-N 2.91Å; R106-R110 WeakPolarHBondContact O-CB 2.99Å; R106-R110 PolarHBondContact O-N 3.16Å |
| 107 | E | 91.2 | Very high | 87.9 | Confident | 91 Ų | 91 | 106.2 Ų | 106.2 | 43% | 0.425 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 174.9 | -74.6 | 169.7 | -171.6 | 0 | 0 | 110.8 | R103 K104 W105 Q109 R110 E111 | R103-E107 WeakPolarHBondContact CG-OE1 3.33Å; R103-E107 IonicContact CZ-OE1 3.91Å; R103-E107 IonicContact CZ-OE2 2.74Å; R103-E107 IonicContact NH1-OE1 2.62Å; R103-E107 PolarHBondContact NH1-OE1 3.07Å; R103-E107 IonicContact NH1-OE2 2.68Å; R103-E107 PolarHBondContact NH1-OE2 3.18Å; R103-E107 WeakPolarHBondContact O-CG 3.36Å; R103-E107 PolarHBondContact O-N 3.5Å; K104-E107 PolarHBondContact O-N 2.88Å; W105-E107 VanDerWaalsContact C-N 3.33Å; W105-E107 PolarHBondContact O-N 3.44Å; E107-Q109 PolarHBondContact O-N 3.23Å; E107-R110 PolarHBondContact O-N 2.99Å; E107-E111 WeakPolarHBondContact O-CB 3.27Å; E107-E111 PolarHBondContact O-N 3.05Å |
| 108 | E | 92.9 | Very high | 89.5 | Confident | 114 Ų | 114 | 105 Ų | 105 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 176.7 | -73.8 | 172.4 | -169.4 | 0 | 0 | 112.7 | K104 W105 R112 | K104-E108 WeakPolarHBondContact O-CB 3.38Å; K104-E108 WeakPolarHBondContact O-CG 3.47Å; K104-E108 PolarHBondContact O-N 3.29Å; W105-E108 PolarHBondContact O-N 3.17Å; E108-R112 WeakPolarHBondContact O-CB 3.46Å; E108-R112 PolarHBondContact O-N 2.93Å |
| 109 | Q | 93.6 | Very high | 91 | Very high | 84 Ų | 84 | 103.7 Ų | 103.7 | 39% | 0.393 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.2 | -41.2 | 176.3 | -70.8 | -52.3 | -63.9 | 0 | 0 | 112 | W105 E107 R112 L113 | W105-Q109 HydrophobicContact CD2-CG 3.99Å; W105-Q109 HydrophobicContact CE3-CG 4.33Å; W105-Q109 HydrophobicContact CH2-CG 4.06Å; W105-Q109 HydrophobicContact CZ2-CG 3.68Å; W105-Q109 HydrophobicContact CZ3-CG 4.37Å; W105-Q109 WeakPolarHBondContact O-CB 3.48Å; W105-Q109 WeakPolarHBondContact O-CG 3.47Å; W105-Q109 PolarHBondContact O-N 3.47Å; E107-Q109 PolarHBondContact O-N 3.23Å; Q109-R112 PolarHBondContact O-N 3.15Å; Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 PolarHBondContact O-N 3.32Å |
| 110 | R | 94.4 | Very high | 91.8 | Very high | 171 Ų | 171 | 103.4 Ų | 103.4 | 65% | 0.645 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.2 | -46.4 | 175.7 | -176.8 | -165.3 | -53 | -105.8 | 0.1 | 110.9 | R106 E107 L113 E114 | R106-R110 WeakPolarHBondContact O-CB 2.99Å; R106-R110 PolarHBondContact O-N 3.16Å; E107-R110 PolarHBondContact O-N 2.99Å; R110-L113 PolarHBondContact O-N 2.88Å; R110-E114 WeakPolarHBondContact O-CB 3.41Å; R110-E114 PolarHBondContact O-N 2.79Å |
| 111 | E | 96.3 | Very high | 92.7 | Very high | 127 Ų | 127 | 105.7 Ų | 105.7 | 59% | 0.593 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -44.2 | 177.7 | -177.3 | 174.9 | -155.1 | 0 | 0 | 111 | E107 L113 E114 V115 | E107-E111 WeakPolarHBondContact O-CB 3.27Å; E107-E111 PolarHBondContact O-N 3.05Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 2.79Å; E111-E114 PolarHBondContact O-N 2.87Å; E111-V115 VanDerWaalsContact O-CG2 3.31Å; E111-V115 WeakPolarHBondContact O-CG2 3.47Å; E111-V115 PolarHBondContact O-N 2.9Å |
| 112 | R | 96.1 | Very high | 93.5 | Very high | 187 Ų | 187 | 107.7 Ų | 107.7 | 71% | 0.706 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.2 | -41.1 | 176.2 | -176 | 172.9 | -177.9 | 149.3 | -0.3 | 112.4 | E108 Q109 V115 L116 | E108-R112 WeakPolarHBondContact O-CB 3.46Å; E108-R112 PolarHBondContact O-N 2.93Å; Q109-R112 PolarHBondContact O-N 3.15Å; R112-V115 PolarHBondContact O-N 3.5Å; R112-L116 PolarHBondContact O-N 3.18Å; R112-L116 VanDerWaalsContact O-N 3.1Å |
| 113 | L | 95.8 | Very high | 94.2 | Very high | 102 Ų | 102 | 108.7 Ų | 108.7 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.6 | -43.9 | 176.6 | -173.5 | 62.6 | 0 | 0 | 0 | 111.1 | Q109 R110 E111 V115 L116 D117 | Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 PolarHBondContact O-N 3.32Å; R110-L113 PolarHBondContact O-N 2.88Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 2.79Å; L113-V115 VanDerWaalsContact C-N 3.3Å; L113-V115 PolarHBondContact O-N 3.14Å; L113-L116 WeakPolarHBondContact O-CB 3.3Å; L113-L116 PolarHBondContact O-N 2.9Å; L113-L116 VanDerWaalsContact O-N 3.09Å; L113-D117 PolarHBondContact O-N 3.41Å |
| 114 | E | 95.8 | Very high | 94.7 | Very high | 123 Ų | 123 | 108.7 Ų | 108.7 | 58% | 0.575 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.8 | -38.3 | 176.9 | -176.7 | 170.1 | -162.5 | 0 | 0 | 112.2 | R110 E111 L116 D117 A118 | R110-E114 WeakPolarHBondContact O-CB 3.41Å; R110-E114 PolarHBondContact O-N 2.79Å; E111-E114 PolarHBondContact O-N 2.87Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-D117 PolarHBondContact O-N 3.47Å; E114-A118 WeakPolarHBondContact O-CB 3.34Å; E114-A118 PolarHBondContact O-N 3.31Å |
| 115 | V | 96.8 | Very high | 95 | Very high | 92 Ų | 92 | 105.8 Ų | 105.8 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.3 | -41.1 | 173.4 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | E111 R112 L113 A118 N119 | E111-V115 VanDerWaalsContact O-CG2 3.31Å; E111-V115 WeakPolarHBondContact O-CG2 3.47Å; E111-V115 PolarHBondContact O-N 2.9Å; R112-V115 PolarHBondContact O-N 3.5Å; L113-V115 VanDerWaalsContact C-N 3.3Å; L113-V115 PolarHBondContact O-N 3.14Å; V115-A118 PolarHBondContact O-N 3.33Å; V115-N119 WeakPolarHBondContact O-CB 3.39Å; V115-N119 PolarHBondContact O-N 3.24Å |
| 116 | L | 96.4 | Very high | 95.3 | Very high | 113 Ų | 113 | 104.6 Ų | 104.6 | 59% | 0.592 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.7 | -44.9 | 177.9 | -169.5 | 64 | 0 | 0 | 0 | 111.4 | R112 L113 E114 A118 N119 S120 | R112-L116 PolarHBondContact O-N 3.18Å; R112-L116 VanDerWaalsContact O-N 3.1Å; L113-L116 WeakPolarHBondContact O-CB 3.3Å; L113-L116 PolarHBondContact O-N 2.9Å; L113-L116 VanDerWaalsContact O-N 3.09Å; E114-L116 VanDerWaalsContact C-N 3.35Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 3.13Å; L116-N119 PolarHBondContact O-N 2.87Å; L116-S120 WeakPolarHBondContact O-CB 3.37Å; L116-S120 PolarHBondContact O-N 2.97Å |
| 117 | D | 97.3 | Very high | 95.6 | Very high | 84 Ų | 84 | 108.5 Ų | 108.5 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -36.9 | 175.7 | -71.7 | -13.6 | 0 | 0 | 0 | 111.9 | L113 E114 R121 | L113-D117 PolarHBondContact O-N 3.41Å; E114-D117 PolarHBondContact O-N 3.47Å; D117-R121 WeakPolarHBondContact O-CB 3.27Å; D117-R121 WeakPolarHBondContact O-CG 3.37Å; D117-R121 PolarHBondContact O-N 3.45Å; D117-R121 PolarHBondContact O-NE 2.89Å |
| 118 | A | 96.9 | Very high | 95.9 | Very high | 31 Ų | 31 | 110 Ų | 110 | 26% | 0.256 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69 | -38.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E114 V115 L116 K122 | E114-A118 WeakPolarHBondContact O-CB 3.34Å; E114-A118 PolarHBondContact O-N 3.31Å; V115-A118 PolarHBondContact O-N 3.33Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 3.13Å; A118-K122 WeakPolarHBondContact O-CB 3.49Å; A118-K122 VanDerWaalsContact O-CG 3.28Å; A118-K122 WeakPolarHBondContact O-CG 3.38Å; A118-K122 PolarHBondContact O-N 3.47Å |
| 119 | N | 95.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 109.4 Ų | 109.4 | 41% | 0.406 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 175.2 | -168.8 | -20.4 | 0 | 0 | 0 | 110.8 | V115 L116 R121 K122 Q123 | V115-N119 WeakPolarHBondContact O-CB 3.39Å; V115-N119 PolarHBondContact O-N 3.24Å; L116-N119 PolarHBondContact O-N 2.87Å; N119-R121 PolarHBondContact O-N 3.33Å; N119-K122 WeakPolarHBondContact O-CB 3.36Å; N119-K122 PolarHBondContact O-N 2.93Å; N119-K122 VanDerWaalsContact O-N 3.1Å; N119-Q123 PolarHBondContact O-N 3.46Å |
| 120 | S | 95.5 | Very high | 96.3 | Very high | 70 Ų | 70 | 112.6 Ų | 112.6 | 49% | 0.49 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -55.6 | -49.3 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | L116 K122 Q123 E124 | L116-S120 WeakPolarHBondContact O-CB 3.37Å; L116-S120 PolarHBondContact O-N 2.97Å; S120-K122 VanDerWaalsContact C-N 3.32Å; S120-K122 PolarHBondContact O-N 3.39Å; S120-Q123 PolarHBondContact O-N 2.86Å; S120-E124 WeakPolarHBondContact O-CB 2.99Å; S120-E124 PolarHBondContact O-N 2.95Å |
| 121 | R | 95.1 | Very high | 96.4 | Very high | 159 Ų | 159 | 107.2 Ų | 107.2 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -37.9 | 176.3 | -76.2 | -175.1 | -71 | 163.4 | -5.5 | 113.2 | D117 N119 S125 | D117-R121 WeakPolarHBondContact O-CB 3.27Å; D117-R121 WeakPolarHBondContact O-CG 3.37Å; D117-R121 PolarHBondContact O-N 3.45Å; D117-R121 PolarHBondContact O-NE 2.89Å; N119-R121 PolarHBondContact O-N 3.33Å; R121-S125 PolarHBondContact O-N 3.14Å; R121-S125 PolarHBondContact O-OG 3.3Å |
| 122 | K | 97.2 | Very high | 96.5 | Very high | 130 Ų | 130 | 107.1 Ų | 107.1 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.8 | -50.8 | 176 | -78.1 | 173.9 | -179.3 | -179.6 | 0 | 111.1 | A118 N119 S120 E124 S125 E126 | A118-K122 WeakPolarHBondContact O-CB 3.49Å; A118-K122 VanDerWaalsContact O-CG 3.28Å; A118-K122 WeakPolarHBondContact O-CG 3.38Å; A118-K122 PolarHBondContact O-N 3.47Å; N119-K122 WeakPolarHBondContact O-CB 3.36Å; N119-K122 PolarHBondContact O-N 2.93Å; N119-K122 VanDerWaalsContact O-N 3.1Å; S120-K122 VanDerWaalsContact C-N 3.32Å; S120-K122 PolarHBondContact O-N 3.39Å; K122-E124 VanDerWaalsContact C-N 3.28Å; K122-E124 PolarHBondContact O-N 3.32Å; K122-S125 WeakPolarHBondContact CA-OG 3.36Å; K122-S125 PolarHBondContact O-N 3.35Å; K122-S125 VanDerWaalsContact O-N 3.12Å; K122-S125 PolarHBondContact O-OG 2.66Å; K122-E126 WeakPolarHBondContact O-CB 3.24Å; K122-E126 WeakPolarHBondContact O-CG 3.23Å; K122-E126 PolarHBondContact O-N 2.98Å |
| 123 | Q | 95.5 | Very high | 96.6 | Very high | 86 Ų | 86 | 101.6 Ų | 101.6 | 40% | 0.402 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -42 | 178.2 | -71.2 | -175.1 | -18.2 | 0 | 0 | 111.8 | N119 S120 S125 E126 W127 | N119-Q123 PolarHBondContact O-N 3.46Å; S120-Q123 PolarHBondContact O-N 2.86Å; Q123-S125 PolarHBondContact O-N 3.27Å; Q123-E126 PolarHBondContact O-N 2.92Å; Q123-W127 WeakPolarHBondContact O-CB 3.48Å; Q123-W127 VanDerWaalsContact O-CG 3.24Å; Q123-W127 PolarHBondContact O-N 3.23Å |
| 124 | E | 94.8 | Very high | 96.7 | Very high | 93 Ų | 93 | 102.4 Ų | 102.4 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.8 | -169.1 | -171.2 | 169 | 0 | 0 | 111.8 | S120 K122 W127 K128 | S120-E124 WeakPolarHBondContact O-CB 2.99Å; S120-E124 PolarHBondContact O-N 2.95Å; K122-E124 VanDerWaalsContact C-N 3.28Å; K122-E124 PolarHBondContact O-N 3.32Å; E124-W127 PolarHBondContact O-N 2.93Å; E124-K128 HydrophobicContact CG-CD 4.41Å; E124-K128 WeakPolarHBondContact O-CB 3.43Å; E124-K128 VanDerWaalsContact O-CG 3.31Å; E124-K128 WeakPolarHBondContact O-CG 3.44Å; E124-K128 PolarHBondContact O-N 2.88Å; E124-K128 VanDerWaalsContact OE1-CE 3.24Å; E124-K128 WeakPolarHBondContact OE1-CE 3.28Å; E124-K128 IonicContact OE1-NZ 3.94Å; E124-K128 PolarHBondContact OE1-NZ 3.5Å |
| 125 | S | 95.1 | Very high | 96.7 | Very high | 52 Ų | 52 | 101.3 Ų | 101.3 | 36% | 0.364 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 175.6 | 61.1 | 0 | 0 | 0 | 0 | 112.6 | R121 K122 Q123 W127 K128 D129 | R121-S125 PolarHBondContact O-N 3.14Å; R121-S125 PolarHBondContact O-OG 3.3Å; K122-S125 WeakPolarHBondContact CA-OG 3.36Å; K122-S125 PolarHBondContact O-N 3.35Å; K122-S125 VanDerWaalsContact O-N 3.12Å; K122-S125 PolarHBondContact O-OG 2.66Å; Q123-S125 PolarHBondContact O-N 3.27Å; S125-W127 PolarHBondContact O-N 2.98Å; S125-K128 PolarHBondContact O-N 2.87Å; S125-D129 WeakPolarHBondContact O-CB 2.93Å; S125-D129 PolarHBondContact O-N 2.9Å |
| 126 | E | 97.9 | Very high | 96.7 | Very high | 116 Ų | 116 | 101.8 Ų | 101.8 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -40 | 178.6 | -73.8 | 173.2 | -170.7 | 0 | 0 | 111.5 | K122 Q123 K130 | K122-E126 WeakPolarHBondContact O-CB 3.24Å; K122-E126 WeakPolarHBondContact O-CG 3.23Å; K122-E126 PolarHBondContact O-N 2.98Å; Q123-E126 PolarHBondContact O-N 2.92Å; E126-K130 WeakPolarHBondContact O-CB 3.46Å; E126-K130 PolarHBondContact O-N 3.44Å |
| 127 | W | 96.8 | Very high | 96.8 | Very high | 177 Ų | 177 | 101.3 Ų | 101.3 | 67% | 0.67 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.7 | -38.5 | 175.8 | -68.9 | -9.8 | 0 | 0 | 0 | 112.3 | Q123 E124 S125 A131 | Q123-W127 WeakPolarHBondContact O-CB 3.48Å; Q123-W127 VanDerWaalsContact O-CG 3.24Å; Q123-W127 PolarHBondContact O-N 3.23Å; E124-W127 PolarHBondContact O-N 2.93Å; S125-W127 PolarHBondContact O-N 2.98Å; W127-A131 VanDerWaalsContact O-CB 3.31Å; W127-A131 WeakPolarHBondContact O-CB 3.37Å; W127-A131 PolarHBondContact O-N 3.43Å |
| 128 | K | 97.7 | Very high | 96.8 | Very high | 124 Ų | 124 | 103.2 Ų | 103.2 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 173.8 | -75.8 | 175.7 | -176.3 | 171.6 | 0 | 111.8 | E124 S125 A131 K132 | E124-K128 HydrophobicContact CG-CD 4.41Å; E124-K128 WeakPolarHBondContact O-CB 3.43Å; E124-K128 VanDerWaalsContact O-CG 3.31Å; E124-K128 WeakPolarHBondContact O-CG 3.44Å; E124-K128 PolarHBondContact O-N 2.88Å; E124-K128 VanDerWaalsContact OE1-CE 3.24Å; E124-K128 WeakPolarHBondContact OE1-CE 3.28Å; E124-K128 IonicContact OE1-NZ 3.94Å; E124-K128 PolarHBondContact OE1-NZ 3.5Å; S125-K128 PolarHBondContact O-N 2.87Å; K128-A131 PolarHBondContact O-N 2.91Å; K128-K132 WeakPolarHBondContact O-CB 3.4Å; K128-K132 PolarHBondContact O-N 3.32Å |
| 129 | D | 97.8 | Very high | 96.8 | Very high | 101 Ų | 101 | 106.1 Ų | 106.1 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 178.7 | -73.5 | -16.8 | 0 | 0 | 0 | 110.9 | S125 K132 V133 | S125-D129 WeakPolarHBondContact O-CB 2.93Å; S125-D129 PolarHBondContact O-N 2.9Å; D129-K132 PolarHBondContact O-N 3.47Å; D129-V133 WeakPolarHBondContact O-CG2 3.42Å; D129-V133 PolarHBondContact O-N 3.19Å |
| 130 | K | 97.8 | Very high | 96.9 | Very high | 150 Ų | 150 | 106.1 Ų | 106.1 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.8 | -45.9 | 175.2 | -172.2 | 176.2 | -178.9 | -178.3 | 0 | 112.1 | E126 K132 V133 E134 | E126-K130 WeakPolarHBondContact O-CB 3.46Å; E126-K130 PolarHBondContact O-N 3.44Å; K130-K132 VanDerWaalsContact C-N 3.29Å; K130-K132 PolarHBondContact O-N 2.95Å; K130-V133 PolarHBondContact O-N 3.2Å; K130-E134 WeakPolarHBondContact O-CB 3.37Å; K130-E134 PolarHBondContact O-N 3.42Å |
| 131 | A | 96.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 108.6 Ų | 108.6 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W127 K128 L135 | W127-A131 VanDerWaalsContact O-CB 3.31Å; W127-A131 WeakPolarHBondContact O-CB 3.37Å; W127-A131 PolarHBondContact O-N 3.43Å; K128-A131 PolarHBondContact O-N 2.91Å; A131-L135 WeakPolarHBondContact O-CB 3.37Å; A131-L135 PolarHBondContact O-N 3.23Å; A131-L135 VanDerWaalsContact O-N 3.07Å |
| 132 | K | 97.8 | Very high | 96.9 | Very high | 126 Ų | 126 | 105.5 Ų | 105.5 | 55% | 0.548 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -47.2 | 175.9 | -177.8 | 179.7 | 171.9 | -173.5 | 0 | 111.9 | K128 D129 K130 E134 L135 E136 | K128-K132 WeakPolarHBondContact O-CB 3.4Å; K128-K132 PolarHBondContact O-N 3.32Å; D129-K132 PolarHBondContact O-N 3.47Å; K130-K132 VanDerWaalsContact C-N 3.29Å; K130-K132 PolarHBondContact O-N 2.95Å; K132-E134 PolarHBondContact O-N 3.06Å; K132-L135 PolarHBondContact O-N 2.96Å; K132-E136 WeakPolarHBondContact CE-OE1 3.45Å; K132-E136 WeakPolarHBondContact O-CG 3.38Å; K132-E136 PolarHBondContact O-N 2.97Å |
| 133 | V | 98.3 | Very high | 96.8 | Very high | 70 Ų | 70 | 104.5 Ų | 104.5 | 42% | 0.424 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 177.5 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | D129 K130 L135 E136 E137 | D129-V133 WeakPolarHBondContact O-CG2 3.42Å; D129-V133 PolarHBondContact O-N 3.19Å; K130-V133 PolarHBondContact O-N 3.2Å; V133-L135 VanDerWaalsContact C-N 3.29Å; V133-L135 PolarHBondContact O-N 3.09Å; V133-E136 PolarHBondContact O-N 3.06Å; V133-E137 HydrophobicContact CG1-CG 4.33Å; V133-E137 WeakPolarHBondContact O-CB 3Å; V133-E137 WeakPolarHBondContact O-CG 3.41Å; V133-E137 PolarHBondContact O-N 3.33Å |
| 134 | E | 97.8 | Very high | 96.8 | Very high | 119 Ų | 119 | 105.5 Ų | 105.5 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.2 | -37.5 | 178.6 | -174.7 | 172.7 | 179.1 | 0 | 0 | 112.4 | K130 K132 W138 | K130-E134 WeakPolarHBondContact O-CB 3.37Å; K130-E134 PolarHBondContact O-N 3.42Å; K132-E134 PolarHBondContact O-N 3.06Å; E134-W138 WeakPolarHBondContact O-CB 3.27Å; E134-W138 PolarHBondContact O-N 3.38Å |
| 135 | L | 96.4 | Very high | 96.7 | Very high | 100 Ų | 100 | 106.2 Ų | 106.2 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.3 | -45.8 | 174.6 | -176.5 | 64.7 | 0 | 0 | 0 | 111.7 | A131 K132 V133 E137 W138 H139 | A131-L135 WeakPolarHBondContact O-CB 3.37Å; A131-L135 PolarHBondContact O-N 3.23Å; A131-L135 VanDerWaalsContact O-N 3.07Å; K132-L135 PolarHBondContact O-N 2.96Å; V133-L135 VanDerWaalsContact C-N 3.29Å; V133-L135 PolarHBondContact O-N 3.09Å; L135-E137 VanDerWaalsContact C-N 3.35Å; L135-E137 PolarHBondContact O-N 2.97Å; L135-W138 WeakPolarHBondContact O-CB 3.45Å; L135-W138 PolarHBondContact O-N 2.95Å; L135-H139 PolarHBondContact O-CD2 3.4Å; L135-H139 PolarHBondContact O-N 2.92Å |
| 136 | E | 96.8 | Very high | 96.6 | Very high | 102 Ų | 102 | 108 Ų | 108 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 175.8 | -72.6 | 174.9 | -173.8 | 0 | 0 | 111.1 | K132 V133 W138 H139 T140 | K132-E136 WeakPolarHBondContact CE-OE1 3.45Å; K132-E136 WeakPolarHBondContact O-CG 3.38Å; K132-E136 PolarHBondContact O-N 2.97Å; V133-E136 PolarHBondContact O-N 3.06Å; E136-W138 VanDerWaalsContact C-N 3.28Å; E136-W138 PolarHBondContact O-N 3.18Å; E136-H139 PolarHBondContact O-N 3.15Å; E136-T140 WeakPolarHBondContact O-CG2 3.44Å; E136-T140 PolarHBondContact O-N 3.12Å; E136-T140 PolarHBondContact O-OG1 2.91Å |
| 137 | E | 97.9 | Very high | 96.4 | Very high | 104 Ų | 104 | 106.9 Ų | 106.9 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -32.2 | 174.5 | -76.1 | -178.1 | -177 | 0 | 0 | 113.3 | V133 L135 T140 R141 | V133-E137 HydrophobicContact CG1-CG 4.33Å; V133-E137 WeakPolarHBondContact O-CB 3Å; V133-E137 WeakPolarHBondContact O-CG 3.41Å; V133-E137 PolarHBondContact O-N 3.33Å; L135-E137 VanDerWaalsContact C-N 3.35Å; L135-E137 PolarHBondContact O-N 2.97Å; E137-T140 WeakPolarHBondContact CA-OG1 3.44Å; E137-T140 PolarHBondContact O-OG1 3.5Å; E137-T140 VanDerWaalsContact O-OG1 3.06Å; E137-R141 WeakPolarHBondContact O-CB 3.34Å; E137-R141 VanDerWaalsContact O-CG 3.27Å; E137-R141 WeakPolarHBondContact O-CG 3.38Å; E137-R141 PolarHBondContact O-N 3.23Å; E137-R141 VanDerWaalsContact O-N 3.15Å; E137-R141 PolarHBondContact O-NE 3.05Å |
| 138 | W | 98.1 | Very high | 96.3 | Very high | 124 Ų | 124 | 104 Ų | 104 | 47% | 0.47 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -45.6 | 174.2 | -177.2 | 88.8 | 0 | 0 | 0 | 111 | E134 L135 E136 R141 Q142 | E134-W138 WeakPolarHBondContact O-CB 3.27Å; E134-W138 PolarHBondContact O-N 3.38Å; L135-W138 WeakPolarHBondContact O-CB 3.45Å; L135-W138 PolarHBondContact O-N 2.95Å; E136-W138 VanDerWaalsContact C-N 3.28Å; E136-W138 PolarHBondContact O-N 3.18Å; W138-R141 PolarHBondContact O-N 2.94Å; W138-Q142 HydrophobicContact CD2-CG 4.01Å; W138-Q142 HydrophobicContact CE3-CG 4.14Å; W138-Q142 HydrophobicContact CH2-CG 3.89Å; W138-Q142 HydrophobicContact CZ2-CG 3.74Å; W138-Q142 HydrophobicContact CZ3-CG 4.09Å; W138-Q142 WeakPolarHBondContact O-CG 3.47Å; W138-Q142 PolarHBondContact O-N 3.34Å |
| 139 | H | 96.6 | Very high | 96 | Very high | 92 Ų | 92 | 101.8 Ų | 101.8 | 43% | 0.426 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 177.1 | -74.4 | -62.1 | 0 | 0 | 0 | 112.3 | L135 E136 R141 Q142 D143 | L135-H139 PolarHBondContact O-CD2 3.4Å; L135-H139 PolarHBondContact O-N 2.92Å; E136-H139 PolarHBondContact O-N 3.15Å; H139-R141 PolarHBondContact O-N 3.5Å; H139-Q142 PolarHBondContact O-N 2.84Å; H139-D143 PolarHBondContact O-N 2.98Å |
| 140 | T | 97.1 | Very high | 95.7 | Very high | 76 Ų | 76 | 102.3 Ų | 102.3 | 47% | 0.466 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 178.1 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | E136 E137 Q142 D143 E144 | E136-T140 WeakPolarHBondContact O-CG2 3.44Å; E136-T140 PolarHBondContact O-N 3.12Å; E136-T140 PolarHBondContact O-OG1 2.91Å; E137-T140 WeakPolarHBondContact CA-OG1 3.44Å; E137-T140 PolarHBondContact O-OG1 3.5Å; E137-T140 VanDerWaalsContact O-OG1 3.06Å; T140-Q142 VanDerWaalsContact C-N 3.33Å; T140-Q142 PolarHBondContact O-N 3.28Å; T140-D143 PolarHBondContact O-N 2.95Å; T140-E144 WeakPolarHBondContact O-CB 3.24Å; T140-E144 WeakPolarHBondContact O-CG 3.31Å; T140-E144 PolarHBondContact O-N 2.87Å |
| 141 | R | 96.4 | Very high | 95.3 | Very high | 122 Ų | 122 | 98.1 Ų | 98.1 | 46% | 0.46 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 175.3 | -78.7 | 179.9 | -71.4 | 144.1 | -9.5 | 112.6 | E137 W138 H139 Q145 | E137-R141 WeakPolarHBondContact O-CB 3.34Å; E137-R141 VanDerWaalsContact O-CG 3.27Å; E137-R141 WeakPolarHBondContact O-CG 3.38Å; E137-R141 PolarHBondContact O-N 3.23Å; E137-R141 VanDerWaalsContact O-N 3.15Å; E137-R141 PolarHBondContact O-NE 3.05Å; W138-R141 PolarHBondContact O-N 2.94Å; H139-R141 PolarHBondContact O-N 3.5Å; R141-Q145 VanDerWaalsContact O-CG 3.28Å; R141-Q145 WeakPolarHBondContact O-CG 3.41Å; R141-Q145 PolarHBondContact O-N 3.36Å; R141-Q145 VanDerWaalsContact O-N 3.09Å |
| 142 | Q | 94.6 | Very high | 94.7 | Very high | 94 Ų | 94 | 99.8 Ų | 99.8 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.9 | -48.4 | 175.9 | -75.1 | -60.2 | -67.9 | 0 | 0 | 111.3 | W138 H139 T140 E144 Q145 L146 | W138-Q142 HydrophobicContact CD2-CG 4.01Å; W138-Q142 HydrophobicContact CE3-CG 4.14Å; W138-Q142 HydrophobicContact CH2-CG 3.89Å; W138-Q142 HydrophobicContact CZ2-CG 3.74Å; W138-Q142 HydrophobicContact CZ3-CG 4.09Å; W138-Q142 WeakPolarHBondContact O-CG 3.47Å; W138-Q142 PolarHBondContact O-N 3.34Å; H139-Q142 PolarHBondContact O-N 2.84Å; T140-Q142 VanDerWaalsContact C-N 3.33Å; T140-Q142 PolarHBondContact O-N 3.28Å; Q142-E144 VanDerWaalsContact C-N 3.33Å; Q142-E144 PolarHBondContact O-N 3.38Å; Q142-Q145 PolarHBondContact O-N 3.29Å; Q142-L146 WeakPolarHBondContact O-CB 3.19Å; Q142-L146 PolarHBondContact O-N 3.07Å |
| 143 | D | 94.9 | Very high | 94.2 | Very high | 108 Ų | 108 | 97.8 Ų | 97.8 | 58% | 0.578 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.7 | -42.1 | 179.5 | -72.3 | -21.6 | 0 | 0 | 0 | 111.6 | H139 T140 Q145 L146 E147 | H139-D143 PolarHBondContact O-N 2.98Å; T140-D143 PolarHBondContact O-N 2.95Å; D143-Q145 PolarHBondContact O-N 3.46Å; D143-L146 PolarHBondContact O-N 3.27Å; D143-E147 WeakPolarHBondContact O-CB 3.31Å; D143-E147 PolarHBondContact O-N 2.85Å |
| 144 | E | 95.6 | Very high | 93.5 | Very high | 108 Ų | 108 | 101.8 Ų | 101.8 | 51% | 0.505 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.8 | -77.6 | -175.6 | -171.6 | 0 | 0 | 112.9 | T140 Q142 E147 K148 | T140-E144 WeakPolarHBondContact O-CB 3.24Å; T140-E144 WeakPolarHBondContact O-CG 3.31Å; T140-E144 PolarHBondContact O-N 2.87Å; Q142-E144 VanDerWaalsContact C-N 3.33Å; Q142-E144 PolarHBondContact O-N 3.38Å; E144-E147 PolarHBondContact O-N 2.93Å; E144-K148 WeakPolarHBondContact O-CB 3.37Å; E144-K148 VanDerWaalsContact O-CG 3.23Å; E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 3.42Å; E144-K148 IonicContact OE2-NZ 2.77Å |
| 145 | Q | 93.7 | Very high | 92.6 | Very high | 108 Ų | 108 | 99.5 Ų | 99.5 | 51% | 0.505 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 177.6 | -75 | -66.4 | -18.1 | 0 | 0 | 111.6 | R141 Q142 D143 K148 T149 | R141-Q145 VanDerWaalsContact O-CG 3.28Å; R141-Q145 WeakPolarHBondContact O-CG 3.41Å; R141-Q145 PolarHBondContact O-N 3.36Å; R141-Q145 VanDerWaalsContact O-N 3.09Å; Q142-Q145 PolarHBondContact O-N 3.29Å; D143-Q145 PolarHBondContact O-N 3.46Å; Q145-K148 PolarHBondContact O-N 3Å; Q145-T149 PolarHBondContact O-N 2.62Å; Q145-T149 PolarHBondContact O-OG1 3.35Å |
| 146 | L | 92.9 | Very high | 91.6 | Very high | 90 Ų | 90 | 99.4 Ų | 99.4 | 47% | 0.471 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 177 | -173.5 | 152.2 | 0 | 0 | 0 | 110.9 | Q142 D143 T149 K150 | Q142-L146 WeakPolarHBondContact O-CB 3.19Å; Q142-L146 PolarHBondContact O-N 3.07Å; D143-L146 PolarHBondContact O-N 3.27Å; L146-T149 WeakPolarHBondContact O-CB 3.46Å; L146-T149 PolarHBondContact O-N 3.03Å; L146-K150 HydrophobicContact CD2-CD 3.86Å; L146-K150 HydrophobicContact CD2-CG 4.35Å; L146-K150 WeakPolarHBondContact O-CG 3.41Å; L146-K150 PolarHBondContact O-N 3.28Å |
| 147 | E | 93.1 | Very high | 90.6 | Very high | 92 Ų | 92 | 98.9 Ų | 98.9 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.6 | -40.3 | 178 | -161.6 | 57.9 | -147.4 | 0 | 0 | 112.1 | D143 E144 T149 K150 V151 | D143-E147 WeakPolarHBondContact O-CB 3.31Å; D143-E147 PolarHBondContact O-N 2.85Å; E144-E147 PolarHBondContact O-N 2.93Å; E147-T149 VanDerWaalsContact C-N 3.27Å; E147-T149 PolarHBondContact O-N 3.1Å; E147-K150 PolarHBondContact O-N 3.02Å; E147-K150 WeakPolarHBondContact OE2-CD 3.28Å; E147-K150 IonicContact OE2-NZ 3.24Å; E147-K150 PolarHBondContact OE2-NZ 3.32Å; E147-V151 WeakPolarHBondContact O-CG2 3.5Å; E147-V151 PolarHBondContact O-N 2.84Å |
| 148 | K | 95 | Very high | 89.6 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.3 | -41.6 | 171 | -77.2 | 169.5 | -173.9 | 165.4 | 0 | 111.8 | E144 Q145 V151 N152 | E144-K148 WeakPolarHBondContact O-CB 3.37Å; E144-K148 VanDerWaalsContact O-CG 3.23Å; E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 3.42Å; E144-K148 IonicContact OE2-NZ 2.77Å; Q145-K148 PolarHBondContact O-N 3Å; K148-V151 PolarHBondContact O-N 2.7Å; K148-N152 WeakPolarHBondContact O-CB 3.44Å; K148-N152 PolarHBondContact O-N 3.12Å |
| 149 | T | 90.8 | Very high | 88.6 | Confident | 76 Ų | 76 | 94.2 Ų | 94.2 | 47% | 0.466 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.5 | -44.8 | 177.4 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | Q145 L146 E147 N152 N153 | Q145-T149 PolarHBondContact O-N 2.62Å; Q145-T149 PolarHBondContact O-OG1 3.35Å; L146-T149 WeakPolarHBondContact O-CB 3.46Å; L146-T149 PolarHBondContact O-N 3.03Å; E147-T149 VanDerWaalsContact C-N 3.27Å; E147-T149 PolarHBondContact O-N 3.1Å; T149-N152 PolarHBondContact O-N 2.87Å; T149-N153 VanDerWaalsContact O-CG 3.3Å; T149-N153 PolarHBondContact O-N 3.3Å |
| 150 | K | 92.8 | Very high | 87.8 | Confident | 112 Ų | 112 | 93.5 Ų | 93.5 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 174.7 | -74.5 | 172.5 | 178.6 | 160.8 | 0 | 112.2 | L146 E147 N153 R154 | L146-K150 HydrophobicContact CD2-CD 3.86Å; L146-K150 HydrophobicContact CD2-CG 4.35Å; L146-K150 WeakPolarHBondContact O-CG 3.41Å; L146-K150 PolarHBondContact O-N 3.28Å; E147-K150 PolarHBondContact O-N 3.02Å; E147-K150 WeakPolarHBondContact OE2-CD 3.28Å; E147-K150 IonicContact OE2-NZ 3.24Å; E147-K150 PolarHBondContact OE2-NZ 3.32Å; K150-N153 PolarHBondContact O-N 3.35Å; K150-R154 WeakPolarHBondContact O-CB 3.34Å; K150-R154 PolarHBondContact O-N 3.48Å |
| 151 | V | 87.7 | Confident | 86.8 | Confident | 62 Ų | 62 | 94.7 Ų | 94.7 | 38% | 0.376 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 179 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | E147 K148 R154 V155 | E147-V151 WeakPolarHBondContact O-CG2 3.5Å; E147-V151 PolarHBondContact O-N 2.84Å; K148-V151 PolarHBondContact O-N 2.7Å; V151-R154 WeakPolarHBondContact O-CB 3.45Å; V151-R154 PolarHBondContact O-N 3.48Å; V151-V155 WeakPolarHBondContact O-CG2 3.21Å; V151-V155 PolarHBondContact O-N 2.85Å |
| 152 | N | 85.2 | Confident | 85.9 | Confident | 93 Ų | 93 | 94.9 Ų | 94.9 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.9 | -48.6 | 175.4 | -173.3 | 4.7 | 0 | 0 | 0 | 111.3 | K148 T149 R154 V155 L156 | K148-N152 WeakPolarHBondContact O-CB 3.44Å; K148-N152 PolarHBondContact O-N 3.12Å; T149-N152 PolarHBondContact O-N 2.87Å; N152-R154 VanDerWaalsContact C-N 3.28Å; N152-R154 PolarHBondContact O-N 2.9Å; N152-V155 PolarHBondContact O-N 3.43Å; N152-V155 VanDerWaalsContact O-N 3.14Å; N152-L156 WeakPolarHBondContact O-CG 3.49Å; N152-L156 PolarHBondContact O-N 2.9Å |
| 153 | N | 85.8 | Confident | 84.9 | Confident | 84 Ų | 84 | 95 Ų | 95 | 45% | 0.449 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 175.7 | -69.1 | -15 | 0 | 0 | 0 | 112.1 | T149 K150 V155 L156 D157 | T149-N153 VanDerWaalsContact O-CG 3.3Å; T149-N153 PolarHBondContact O-N 3.3Å; K150-N153 PolarHBondContact O-N 3.35Å; N153-V155 PolarHBondContact O-N 3.44Å; N153-L156 PolarHBondContact O-N 3.22Å; N153-D157 PolarHBondContact O-N 3.03Å |
| 154 | R | 83.8 | Confident | 83.8 | Confident | 155 Ų | 155 | 94.2 Ų | 94.2 | 59% | 0.585 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.9 | -40.8 | 176.4 | -141.5 | -177.8 | 77.8 | -143.7 | 1.9 | 111.9 | K150 V151 N152 D157 E158 | K150-R154 WeakPolarHBondContact O-CB 3.34Å; K150-R154 PolarHBondContact O-N 3.48Å; V151-R154 WeakPolarHBondContact O-CB 3.45Å; V151-R154 PolarHBondContact O-N 3.48Å; N152-R154 VanDerWaalsContact C-N 3.28Å; N152-R154 PolarHBondContact O-N 2.9Å; R154-D157 PolarHBondContact O-N 3.38Å; R154-E158 WeakPolarHBondContact O-CG 3.38Å; R154-E158 PolarHBondContact O-N 2.93Å |
| 155 | V | 79.9 | Confident | 82.4 | Confident | 71 Ų | 71 | 96.8 Ų | 96.8 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | V151 N152 N153 D157 E158 D159 | V151-V155 WeakPolarHBondContact O-CG2 3.21Å; V151-V155 PolarHBondContact O-N 2.85Å; N152-V155 PolarHBondContact O-N 3.43Å; N152-V155 VanDerWaalsContact O-N 3.14Å; N153-V155 PolarHBondContact O-N 3.44Å; V155-D157 VanDerWaalsContact C-N 3.32Å; V155-D157 PolarHBondContact O-N 2.88Å; V155-E158 PolarHBondContact O-N 3.29Å; V155-D159 WeakPolarHBondContact O-CB 3.47Å; V155-D159 PolarHBondContact O-N 3.29Å |
| 156 | L | 74.6 | Confident | 81.2 | Confident | 97 Ų | 97 | 92 Ų | 92 | 51% | 0.508 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 175.4 | -68.7 | 173.7 | 0 | 0 | 0 | 111.9 | N152 N153 D159 F160 | N152-L156 WeakPolarHBondContact O-CG 3.49Å; N152-L156 PolarHBondContact O-N 2.9Å; N153-L156 PolarHBondContact O-N 3.22Å; L156-D159 PolarHBondContact O-N 2.91Å; L156-F160 WeakPolarHBondContact O-CB 3.47Å; L156-F160 PolarHBondContact O-N 3.4Å |
| 157 | D | 75.6 | Confident | 79.9 | Confident | 92 Ų | 92 | 93.6 Ų | 93.6 | 49% | 0.492 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 173.9 | -76.5 | -8.7 | 0 | 0 | 0 | 110.8 | N153 R154 V155 D159 F160 Y161 | N153-D157 PolarHBondContact O-N 3.03Å; R154-D157 PolarHBondContact O-N 3.38Å; V155-D157 VanDerWaalsContact C-N 3.32Å; V155-D157 PolarHBondContact O-N 2.88Å; D157-D159 VanDerWaalsContact C-N 3.35Å; D157-D159 PolarHBondContact O-N 2.88Å; D157-F160 WeakPolarHBondContact O-CB 3.31Å; D157-F160 PolarHBondContact O-N 3.39Å; D157-F160 VanDerWaalsContact O-N 3.17Å; D157-Y161 HydrophobicContact CB-CE2 4.4Å; D157-Y161 WeakPolarHBondContact O-CD2 3.48Å; D157-Y161 PolarHBondContact O-N 3.5Å |
| 158 | E | 78.2 | Confident | 78.4 | Confident | 51 Ų | 51 | 95 Ų | 95 | 24% | 0.238 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 176.1 | -68.2 | -79.2 | 174.3 | 0 | 0 | 112 | R154 V155 F160 Y161 K162 Y180 | R154-E158 WeakPolarHBondContact O-CG 3.38Å; R154-E158 PolarHBondContact O-N 2.93Å; V155-E158 PolarHBondContact O-N 3.29Å; E158-F160 VanDerWaalsContact C-N 3.3Å; E158-F160 PolarHBondContact O-N 2.81Å; E158-Y161 PolarHBondContact O-N 3.38Å; E158-K162 WeakPolarHBondContact O-CG 3.42Å; E158-K162 PolarHBondContact O-N 3.47Å; E158-K162 VanDerWaalsContact O-N 3.13Å; E158-Y180 VanDerWaalsContact CD-OH 3.26Å; E158-Y180 WeakPolarHBondContact OE1-CE2 3.45Å; E158-Y180 PolarHBondContact OE1-OH 3.38Å; E158-Y180 PolarHBondContact OE2-OH 3.44Å |
| 159 | D | 75.8 | Confident | 76.8 | Confident | 79 Ų | 79 | 93.4 Ų | 93.4 | 42% | 0.422 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.8 | -31.2 | 178.5 | -72.8 | -13.9 | 0 | 0 | 0 | 112.3 | V155 L156 D157 K162 | V155-D159 WeakPolarHBondContact O-CB 3.47Å; V155-D159 PolarHBondContact O-N 3.29Å; L156-D159 PolarHBondContact O-N 2.91Å; D157-D159 VanDerWaalsContact C-N 3.35Å; D157-D159 PolarHBondContact O-N 2.88Å; D159-K162 IonicContact OD1-NZ 3.18Å; D159-K162 PolarHBondContact OD1-NZ 3.38Å |
| 160 | F | 79.9 | Confident | 75.1 | Confident | 76 Ų | 76 | 90.9 Ų | 90.9 | 33% | 0.333 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 171.4 | 175.4 | -95.7 | 0 | 0 | 0 | 111.6 | L156 D157 E158 K162 Q163 S166 I169 | L156-F160 WeakPolarHBondContact O-CB 3.47Å; L156-F160 PolarHBondContact O-N 3.4Å; D157-F160 WeakPolarHBondContact O-CB 3.31Å; D157-F160 PolarHBondContact O-N 3.39Å; D157-F160 VanDerWaalsContact O-N 3.17Å; E158-F160 VanDerWaalsContact C-N 3.3Å; E158-F160 PolarHBondContact O-N 2.81Å; F160-K162 VanDerWaalsContact C-N 3.33Å; F160-K162 PolarHBondContact O-N 3.24Å; F160-Q163 WeakPolarHBondContact O-CB 3.48Å; F160-Q163 PolarHBondContact O-N 3.1Å; F160-S166 WeakPolarHBondContact O-CB 3.48Å; F160-I169 HydrophobicContact CZ-CB 4.34Å; F160-I169 HydrophobicContact CZ-CG2 3.88Å |
| 161 | Y | 76.1 | Confident | 72.9 | Confident | 101 Ų | 101 | 95.4 Ų | 95.4 | 40% | 0.396 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.8 | -22.9 | -179.4 | -70.7 | -68.3 | 0 | 0 | 0 | 113.9 | D157 E158 Q163 S166 | D157-Y161 HydrophobicContact CB-CE2 4.4Å; D157-Y161 WeakPolarHBondContact O-CD2 3.48Å; D157-Y161 PolarHBondContact O-N 3.5Å; E158-Y161 PolarHBondContact O-N 3.38Å; Y161-Q163 PolarHBondContact O-N 3.09Å; Y161-S166 WeakPolarHBondContact O-CB 3.44Å; Y161-S166 PolarHBondContact O-OG 3.26Å |
| 162 | K | 78.7 | Confident | 71.1 | Confident | 126 Ų | 126 | 97.9 Ų | 97.9 | 55% | 0.548 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -16.1 | 171.1 | -69.5 | 171 | -166.9 | 161.7 | 0 | 113.8 | E158 D159 F160 | E158-K162 WeakPolarHBondContact O-CG 3.42Å; E158-K162 PolarHBondContact O-N 3.47Å; E158-K162 VanDerWaalsContact O-N 3.13Å; D159-K162 IonicContact OD1-NZ 3.18Å; D159-K162 PolarHBondContact OD1-NZ 3.38Å; F160-K162 VanDerWaalsContact C-N 3.33Å; F160-K162 PolarHBondContact O-N 3.24Å |
| 163 | Q | 72.3 | Confident | 69.5 | Low | 97 Ų | 97 | 97.1 Ų | 97.1 | 45% | 0.453 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -69.4 | 143.8 | 179.8 | -64.2 | -166.9 | -30.3 | 0 | 0 | 111.7 | F160 Y161 F165 S166 | F160-Q163 WeakPolarHBondContact O-CB 3.48Å; F160-Q163 PolarHBondContact O-N 3.1Å; Y161-Q163 PolarHBondContact O-N 3.09Å; Q163-F165 PolarHBondContact O-N 3.33Å; Q163-S166 WeakPolarHBondContact O-CB 3.16Å; Q163-S166 PolarHBondContact O-N 2.89Å; Q163-S166 VanDerWaalsContact O-N 3.15Å; Q163-S166 PolarHBondContact O-OG 2.95Å |
| 164 | P | 72.4 | Confident | 67.8 | Low | 91 Ų | 91 | 101.2 Ų | 101.2 | 59% | 0.591 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 135.9 | 174.7 | 24.5 | -32.9 | 0 | 0 | 0 | 110.1 | S166 | P164-S166 VanDerWaalsContact C-N 3.34Š|
| 165 | F | 67.1 | Low | 66.5 | Low | 162 Ų | 162 | 99.1 Ų | 99.1 | 71% | 0.711 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70 | 14 | -176 | -42.2 | -79 | 0 | 0 | 0 | 116.4 | Q163 D167 L168 I169 | Q163-F165 PolarHBondContact O-N 3.33Å; F165-D167 PolarHBondContact O-N 3.48Å; F165-L168 HydrophobicContact CB-CB 4.3Å; F165-L168 WeakPolarHBondContact O-CB 3.32Å; F165-L168 PolarHBondContact O-N 2.84Å; F165-I169 PolarHBondContact O-N 3.48Å |
| 166 | S | 67.9 | Low | 65.1 | Low | 8 Ų | 8 | 103.2 Ų | 103.2 | 6% | 0.056 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -53.1 | -39.3 | 173.6 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | F160 Y161 Q163 P164 L168 I169 G170 | F160-S166 WeakPolarHBondContact O-CB 3.48Å; Y161-S166 WeakPolarHBondContact O-CB 3.44Å; Y161-S166 PolarHBondContact O-OG 3.26Å; Q163-S166 WeakPolarHBondContact O-CB 3.16Å; Q163-S166 PolarHBondContact O-N 2.89Å; Q163-S166 VanDerWaalsContact O-N 3.15Å; Q163-S166 PolarHBondContact O-OG 2.95Å; P164-S166 VanDerWaalsContact C-N 3.34Å; S166-L168 VanDerWaalsContact C-N 3.27Å; S166-L168 PolarHBondContact O-N 2.71Å; S166-I169 PolarHBondContact O-N 2.68Å; S166-I169 VanDerWaalsContact O-N 3.11Å; S166-G170 PolarHBondContact O-N 2.96Å |
| 167 | D | 65.1 | Low | 64 | Low | 124 Ų | 124 | 104.3 Ų | 104.3 | 66% | 0.663 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.7 | -34.7 | 174.8 | -64 | -30.8 | 0 | 0 | 0 | 113.4 | F165 Y171 | F165-D167 PolarHBondContact O-N 3.48Å; D167-Y171 WeakPolarHBondContact O-CD2 3.35Å; D167-Y171 PolarHBondContact O-N 2.97Å |
| 168 | L | 62.8 | Low | 63 | Low | 120 Ų | 120 | 106.1 Ų | 106.1 | 63% | 0.628 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.5 | -31.1 | 179.3 | -172.2 | 63.1 | 0 | 0 | 0 | 111.5 | F165 S166 | F165-L168 HydrophobicContact CB-CB 4.3Å; F165-L168 WeakPolarHBondContact O-CB 3.32Å; F165-L168 PolarHBondContact O-N 2.84Å; S166-L168 VanDerWaalsContact C-N 3.27Å; S166-L168 PolarHBondContact O-N 2.71Å |
| 169 | I | 61.1 | Low | 61.4 | Low | 85 Ų | 85 | 107.8 Ų | 107.8 | 44% | 0.436 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -79.1 | -37.1 | 177.4 | -60.7 | 175.5 | 0 | 0 | 0 | 110.9 | F160 F165 S166 Y171 V172 T173 | F160-I169 HydrophobicContact CZ-CB 4.34Å; F160-I169 HydrophobicContact CZ-CG2 3.88Å; F165-I169 PolarHBondContact O-N 3.48Å; S166-I169 PolarHBondContact O-N 2.68Å; S166-I169 VanDerWaalsContact O-N 3.11Å; I169-Y171 VanDerWaalsContact C-N 3.3Å; I169-Y171 PolarHBondContact O-N 2.91Å; I169-V172 PolarHBondContact O-N 3.4Å; I169-V172 VanDerWaalsContact O-N 3.15Å; I169-T173 PolarHBondContact O-OG1 3.3Å |
| 170 | G | 54 | Low | 60 | Low | 22 Ų | 22 | 110 Ų | 110 | 23% | 0.227 | 56% | 0.557 | C | S | . | * | H | α-helix | trans | -59.3 | -37.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S166 V172 T173 | S166-G170 PolarHBondContact O-N 2.96Å; G170-V172 VanDerWaalsContact C-N 3.3Å; G170-V172 PolarHBondContact O-N 2.85Å; G170-T173 PolarHBondContact O-N 3.48Å; G170-T173 PolarHBondContact O-OG1 2.9Å |
| 171 | Y | 46.8 | Very low | 58.8 | Low | 207 Ų | 207 | 115.5 Ų | 115.5 | 81% | 0.812 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -26.8 | 176.2 | -100.6 | -87.1 | 0 | 0 | 0 | 114.2 | D167 I169 | D167-Y171 WeakPolarHBondContact O-CD2 3.35Å; D167-Y171 PolarHBondContact O-N 2.97Å; I169-Y171 VanDerWaalsContact C-N 3.3Å; I169-Y171 PolarHBondContact O-N 2.91Å |
| 172 | V | 49.8 | Very low | 57.7 | Low | 115 Ų | 115 | 117.4 Ų | 117.4 | 70% | 0.697 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -22.6 | -179 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | I169 G170 | I169-V172 PolarHBondContact O-N 3.4Å; I169-V172 VanDerWaalsContact O-N 3.15Å; G170-V172 VanDerWaalsContact C-N 3.3Å; G170-V172 PolarHBondContact O-N 2.85Å |
| 173 | T | 53 | Low | 56.4 | Low | 77 Ų | 77 | 117.2 Ų | 117.2 | 47% | 0.472 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.4 | 1.7 | -171.1 | 52.9 | 0 | 0 | 0 | 0 | 115.5 | I169 G170 I175 | I169-T173 PolarHBondContact O-OG1 3.3Å; G170-T173 PolarHBondContact O-N 3.48Å; G170-T173 PolarHBondContact O-OG1 2.9Å; T173-I175 PolarHBondContact O-N 2.98Å; T173-I175 VanDerWaalsContact O-N 3.09Å |
| 174 | H | 49.8 | Very low | 55.6 | Low | 169 Ų | 169 | 117.9 Ų | 117.9 | 78% | 0.782 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53 | 25 | 179 | -69.7 | 82.1 | 0 | 0 | 0 | 114.9 | N176 | H174-N176 PolarHBondContact O-N 3.42Š|
| 175 | I | 56.6 | Low | 54.6 | Low | 112 Ų | 112 | 115.5 Ų | 115.5 | 57% | 0.574 | 59% | 0.587 | S | S | * | * | trans | -86.5 | 92.2 | 172.1 | -57.5 | 175.1 | 0 | 0 | 0 | 106.9 | T173 H177 | T173-I175 PolarHBondContact O-N 2.98Å; T173-I175 VanDerWaalsContact O-N 3.09Å; I175-H177 PolarHBondContact O-N 3.41Å; I175-H177 VanDerWaalsContact O-N 3.07Å | ||
| 176 | N | 48.7 | Very low | 54 | Low | 157 Ų | 157 | 110.1 Ų | 110.1 | 84% | 0.84 | 57% | 0.573 | S | S | * | * | trans | -65.8 | 103.2 | 168 | -95.2 | -76.2 | 0 | 0 | 0 | 108.1 | H174 P178 | H174-N176 PolarHBondContact O-N 3.42Å; N176-P178 VanDerWaalsContact O-CD 3.27Å; N176-P178 WeakPolarHBondContact O-CD 3.29Å | ||
| 177 | H | 52 | Low | 53.3 | Low | 120 Ų | 120 | 116 Ų | 116 | 56% | 0.556 | 60% | 0.6 | S | S | * | * | trans | -105.4 | 99.6 | 173.6 | -159.6 | -96.2 | 0 | 0 | 0 | 110.1 | I175 C179 | I175-H177 PolarHBondContact O-N 3.41Å; I175-H177 VanDerWaalsContact O-N 3.07Å; H177-C179 VanDerWaalsContact CE1-CB 3.47Å; H177-C179 WeakPolarHBondContact CE1-CB 3.27Å; H177-C179 PolarHBondContact CE1-O 3.19Å; H177-C179 PolarHBondContact ND1-O 3.29Å; H177-C179 VanDerWaalsContact ND1-O 3.1Å; H177-C179 PolarHBondContact O-N 3.07Å | ||
| 178 | P | 54.2 | Low | 52.9 | Low | 129 Ų | 129 | 115.9 Ų | 115.9 | 84% | 0.838 | 60% | 0.595 | S | S | * | * | trans | -80.3 | 10.1 | 178.2 | 33.3 | -35.6 | 0 | 0 | 0 | 113.5 | N176 | N176-P178 VanDerWaalsContact O-CD 3.27Å; N176-P178 WeakPolarHBondContact O-CD 3.29Å | ||
| 179 | C | 45.4 | Very low | 52.6 | Low | 86 Ų | 86 | 112.1 Ų | 112.1 | 58% | 0.581 | 58% | 0.581 | S | S | * | * | trans | -116.2 | 74.7 | -174 | -168.2 | 0 | 0 | 0 | 0 | 110.4 | H177 | H177-C179 VanDerWaalsContact CE1-CB 3.47Å; H177-C179 WeakPolarHBondContact CE1-CB 3.27Å; H177-C179 PolarHBondContact CE1-O 3.19Å; H177-C179 PolarHBondContact ND1-O 3.29Å; H177-C179 VanDerWaalsContact ND1-O 3.1Å; H177-C179 PolarHBondContact O-N 3.07Å | ||
| 180 | Y | 47.4 | Very low | 52.2 | Low | 126 Ų | 126 | 114.2 Ų | 114.2 | 49% | 0.494 | 59% | 0.591 | S | S | . | * | trans | -161.7 | 129.9 | 145.1 | -122.2 | -88.1 | 0 | 0 | 0 | 107.7 | E158 L182 A185 | E158-Y180 VanDerWaalsContact CD-OH 3.26Å; E158-Y180 WeakPolarHBondContact OE1-CE2 3.45Å; E158-Y180 PolarHBondContact OE1-OH 3.38Å; E158-Y180 PolarHBondContact OE2-OH 3.44Å; Y180-L182 PolarHBondContact O-N 3.49Å; Y180-A185 HydrophobicContact CD1-CB 4.05Å; Y180-A185 HydrophobicContact CE1-CB 4.38Å | ||
| 181 | R | 52.8 | Low | 52.1 | Low | 191 Ų | 191 | 119 Ų | 119 | 72% | 0.721 | 61% | 0.61 | S | S | * | * | trans | -67.8 | 104.3 | 165.2 | -70.1 | -171.6 | -153.1 | 98.4 | 4.2 | 105.9 | D183 Q184 | R181-D183 PolarHBondContact O-N 2.9Å; R181-Q184 PolarHBondContact O-N 3.13Å | ||
| 182 | L | 53.5 | Low | 52.7 | Low | 142 Ų | 142 | 111.6 Ų | 111.6 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -44.9 | -30.9 | 177.8 | -77.1 | 147.4 | 0 | 0 | 0 | 112.6 | Y180 Q184 A186 | Y180-L182 PolarHBondContact O-N 3.49Å; L182-Q184 PolarHBondContact O-N 2.86Å; L182-A186 WeakPolarHBondContact O-CB 3.45Å; L182-A186 PolarHBondContact O-N 2.77Å |
| 183 | D | 51.6 | Low | 52.9 | Low | 121 Ų | 121 | 109.8 Ų | 109.8 | 65% | 0.647 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.5 | -36.9 | -177.8 | -50.8 | -37.4 | 0 | 0 | 0 | 113.4 | R181 E187 | R181-D183 PolarHBondContact O-N 2.9Å; D183-E187 WeakPolarHBondContact O-CG 3.33Å; D183-E187 PolarHBondContact O-N 3.48Å; D183-E187 VanDerWaalsContact O-N 3.15Å |
| 184 | Q | 54.7 | Low | 53 | Low | 111 Ų | 111 | 113.2 Ų | 113.2 | 52% | 0.519 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -82.9 | -35.2 | -177.2 | -169.1 | 154.3 | 15.2 | 0 | 0 | 112.4 | R181 L182 E188 | R181-Q184 PolarHBondContact O-N 3.13Å; L182-Q184 PolarHBondContact O-N 2.86Å; Q184-E188 PolarHBondContact O-N 2.98Å; Q184-E188 VanDerWaalsContact O-N 3.17Å |
| 185 | A | 53.2 | Low | 53.2 | Low | 41 Ų | 41 | 111.4 Ų | 111.4 | 34% | 0.339 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68 | -36.4 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y180 A189 | Y180-A185 HydrophobicContact CD1-CB 4.05Å; Y180-A185 HydrophobicContact CE1-CB 4.38Å; A185-A189 WeakPolarHBondContact O-CB 3.3Å; A185-A189 PolarHBondContact O-N 3.39Å |
| 186 | A | 52.9 | Low | 53.2 | Low | 50 Ų | 50 | 110.1 Ų | 110.1 | 41% | 0.413 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.4 | -38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L182 M190 | L182-A186 WeakPolarHBondContact O-CB 3.45Å; L182-A186 PolarHBondContact O-N 2.77Å; A186-M190 WeakPolarHBondContact O-CB 3.41Å; A186-M190 VanDerWaalsContact O-CG 3.31Å; A186-M190 WeakPolarHBondContact O-CG 3.48Å; A186-M190 PolarHBondContact O-N 3.48Å |
| 187 | E | 54.8 | Low | 53.9 | Low | 132 Ų | 132 | 107.1 Ų | 107.1 | 62% | 0.617 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.1 | -41.2 | 176 | -75.7 | -177.2 | 176.1 | 0 | 0 | 112.5 | D183 L191 | D183-E187 WeakPolarHBondContact O-CG 3.33Å; D183-E187 PolarHBondContact O-N 3.48Å; D183-E187 VanDerWaalsContact O-N 3.15Å; E187-L191 WeakPolarHBondContact O-CG 3.4Å; E187-L191 PolarHBondContact O-N 3.21Å; E187-L191 VanDerWaalsContact O-N 3.15Å |
| 188 | E | 56.4 | Low | 54.8 | Low | 121 Ų | 121 | 105.9 Ų | 105.9 | 57% | 0.565 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.5 | -37.3 | 175 | -79.6 | -173.8 | 170.1 | 0 | 0 | 112.9 | Q184 L191 S192 | Q184-E188 PolarHBondContact O-N 2.98Å; Q184-E188 VanDerWaalsContact O-N 3.17Å; E188-L191 PolarHBondContact O-N 2.77Å; E188-S192 PolarHBondContact O-N 2.9Å |
| 189 | A | 56.1 | Low | 55.8 | Low | 40 Ų | 40 | 105.3 Ų | 105.3 | 33% | 0.331 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.9 | -39.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A185 L191 S192 D193 | A185-A189 WeakPolarHBondContact O-CB 3.3Å; A185-A189 PolarHBondContact O-N 3.39Å; A189-L191 VanDerWaalsContact C-N 3.31Å; A189-L191 PolarHBondContact O-N 2.74Å; A189-S192 PolarHBondContact O-N 3.37Å; A189-S192 PolarHBondContact O-OG 2.94Å; A189-D193 WeakPolarHBondContact O-CB 3.33Å; A189-D193 VanDerWaalsContact O-CG 3.31Å; A189-D193 PolarHBondContact O-N 3.2Å |
| 190 | M | 52.1 | Low | 57.3 | Low | 129 Ų | 129 | 104.3 Ų | 104.3 | 64% | 0.635 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65 | -34.6 | 173.5 | -77.7 | -146.3 | -71.5 | 0 | 0 | 112.3 | A186 M194 | A186-M190 WeakPolarHBondContact O-CB 3.41Å; A186-M190 VanDerWaalsContact O-CG 3.31Å; A186-M190 WeakPolarHBondContact O-CG 3.48Å; A186-M190 PolarHBondContact O-N 3.48Å; M190-M194 WeakPolarHBondContact O-CB 3.49Å; M190-M194 WeakPolarHBondContact O-CG 3.32Å; M190-M194 PolarHBondContact O-N 3.36Å; M190-M194 VanDerWaalsContact O-N 3.14Å |
| 191 | L | 53 | Low | 59 | Low | 123 Ų | 123 | 99.9 Ų | 99.9 | 64% | 0.644 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.6 | -38 | 175.9 | -75.5 | 164.2 | 0 | 0 | 0 | 112.7 | E187 E188 A189 | E187-L191 WeakPolarHBondContact O-CG 3.4Å; E187-L191 PolarHBondContact O-N 3.21Å; E187-L191 VanDerWaalsContact O-N 3.15Å; E188-L191 PolarHBondContact O-N 2.77Å; A189-L191 VanDerWaalsContact C-N 3.31Å; A189-L191 PolarHBondContact O-N 2.74Å |
| 192 | S | 58.4 | Low | 60.4 | Low | 52 Ų | 52 | 96.2 Ų | 96.2 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -76.1 | -36.6 | 174.4 | 76.1 | 0 | 0 | 0 | 0 | 112.7 | E188 A189 M194 D195 E196 | E188-S192 PolarHBondContact O-N 2.9Å; A189-S192 PolarHBondContact O-N 3.37Å; A189-S192 PolarHBondContact O-OG 2.94Å; S192-M194 PolarHBondContact O-N 2.87Å; S192-D195 PolarHBondContact O-N 3.49Å; S192-D195 VanDerWaalsContact O-N 3.13Å; S192-E196 WeakPolarHBondContact O-CB 3.29Å; S192-E196 WeakPolarHBondContact O-CG 3.03Å; S192-E196 PolarHBondContact O-N 2.99Å |
| 193 | D | 53.4 | Low | 61.7 | Low | 76 Ų | 76 | 99.4 Ų | 99.4 | 41% | 0.406 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -30.3 | 173.9 | -85.8 | -12.7 | 0 | 0 | 0 | 111.7 | A189 N197 | A189-D193 WeakPolarHBondContact O-CB 3.33Å; A189-D193 VanDerWaalsContact O-CG 3.31Å; A189-D193 PolarHBondContact O-N 3.2Å; D193-N197 WeakPolarHBondContact O-CB 3.49Å; D193-N197 PolarHBondContact O-N 2.9Å |
| 194 | M | 55.1 | Low | 63.1 | Low | 149 Ų | 149 | 98.9 Ų | 98.9 | 73% | 0.734 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.7 | -31.3 | 175.2 | -78.8 | -176.1 | 78.4 | 0 | 0 | 113.3 | M190 S192 | M190-M194 WeakPolarHBondContact O-CB 3.49Å; M190-M194 WeakPolarHBondContact O-CG 3.32Å; M190-M194 PolarHBondContact O-N 3.36Å; M190-M194 VanDerWaalsContact O-N 3.14Å; S192-M194 PolarHBondContact O-N 2.87Å |
| 195 | D | 55 | Low | 64.3 | Low | 132 Ų | 132 | 97.2 Ų | 97.2 | 71% | 0.706 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -86.3 | -32.7 | 176.8 | -135.2 | 6.4 | 0 | 0 | 0 | 111.3 | S192 | S192-D195 PolarHBondContact O-N 3.49Å; S192-D195 VanDerWaalsContact O-N 3.13Å |
| 196 | E | 55.7 | Low | 65.5 | Low | 85 Ų | 85 | 98.6 Ų | 98.6 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -84.2 | -21.5 | 178.5 | -68.8 | -155.4 | 164.7 | 0 | 0 | 115.1 | S192 N198 T201 | S192-E196 WeakPolarHBondContact O-CB 3.29Å; S192-E196 WeakPolarHBondContact O-CG 3.03Å; S192-E196 PolarHBondContact O-N 2.99Å; E196-N198 VanDerWaalsContact C-N 3.31Å; E196-T201 PolarHBondContact O-OG1 2.77Å |
| 197 | N | 64.5 | Low | 66.9 | Low | 94 Ų | 94 | 98.6 Ų | 98.6 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 13.5 | 171.9 | -75 | -24.9 | 0 | 0 | 0 | 113.5 | D193 R205 | D193-N197 WeakPolarHBondContact O-CB 3.49Å; D193-N197 PolarHBondContact O-N 2.9Å; N197-R205 PolarHBondContact OD1-NH1 3.27Å; N197-R205 PolarHBondContact OD1-NH2 3.48Å |
| 198 | N | 71.4 | Confident | 68.1 | Low | 94 Ų | 94 | 100.1 Ų | 100.1 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -63.4 | 126.5 | 171.3 | -164.3 | 35.8 | 0 | 0 | 0 | 109.5 | E196 G200 T201 | E196-N198 VanDerWaalsContact C-N 3.31Å; N198-G200 PolarHBondContact O-N 2.92Å; N198-G200 VanDerWaalsContact O-N 3.08Å; N198-T201 PolarHBondContact O-N 3.49Å; N198-T201 PolarHBondContact O-OG1 2.94Å; N198-T201 VanDerWaalsContact O-OG1 3.12Å |
| 199 | P | 73.8 | Confident | 69.1 | Low | 117 Ų | 117 | 99.8 Ų | 99.8 | 76% | 0.76 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 119.4 | -179 | 19 | -32.4 | 0 | 0 | 0 | 111.1 | ||
| 200 | G | 77.9 | Confident | 70.2 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 66% | 0.66 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 124.6 | -19 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N198 | N198-G200 PolarHBondContact O-N 2.92Å; N198-G200 VanDerWaalsContact O-N 3.08Å |
| 201 | T | 81.7 | Confident | 71.3 | Confident | 34 Ų | 34 | 99.7 Ų | 99.7 | 21% | 0.209 | 53% | 0.526 | C | S | . | . | trans | -87.6 | -6.2 | 179.4 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | E196 N198 W203 E204 R205 | E196-T201 PolarHBondContact O-OG1 2.77Å; N198-T201 PolarHBondContact O-N 3.49Å; N198-T201 PolarHBondContact O-OG1 2.94Å; N198-T201 VanDerWaalsContact O-OG1 3.12Å; T201-W203 PolarHBondContact O-N 3.17Å; T201-E204 WeakPolarHBondContact O-CB 3.44Å; T201-E204 PolarHBondContact O-N 2.79Å; T201-R205 PolarHBondContact O-N 3.31Å | ||
| 202 | E | 82.2 | Confident | 72.5 | Confident | 114 Ų | 114 | 101.4 Ų | 101.4 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.2 | -45.4 | -170.3 | -59.2 | 172.4 | 131.6 | 0 | 0 | 113 | E204 R205 V206 | E202-E204 VanDerWaalsContact C-N 3.28Å; E202-E204 PolarHBondContact O-N 2.99Å; E202-R205 PolarHBondContact O-N 3.39Å; E202-V206 WeakPolarHBondContact O-CG2 3.45Å; E202-V206 PolarHBondContact O-N 3.16Å; E202-V206 VanDerWaalsContact O-N 3.16Å |
| 203 | W | 81.4 | Confident | 73.5 | Confident | 209 Ų | 209 | 102.6 Ų | 102.6 | 79% | 0.792 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -69.2 | -28.6 | 177.8 | -72.2 | 103.3 | 0 | 0 | 0 | 112.9 | T201 A207 | T201-W203 PolarHBondContact O-N 3.17Å; W203-A207 VanDerWaalsContact O-CB 3.27Å; W203-A207 WeakPolarHBondContact O-CB 3.39Å; W203-A207 PolarHBondContact O-N 3.41Å |
| 204 | E | 80.5 | Confident | 74.4 | Confident | 110 Ų | 110 | 104.7 Ų | 104.7 | 51% | 0.514 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.2 | -38.1 | 177.5 | -147.5 | 175.7 | 174.2 | 0 | 0 | 111 | T201 E202 A207 R208 | T201-E204 WeakPolarHBondContact O-CB 3.44Å; T201-E204 PolarHBondContact O-N 2.79Å; E202-E204 VanDerWaalsContact C-N 3.28Å; E202-E204 PolarHBondContact O-N 2.99Å; E204-A207 PolarHBondContact O-N 2.78Å; E204-R208 WeakPolarHBondContact O-CG 3.2Å; E204-R208 PolarHBondContact O-N 2.73Å; E204-R208 VanDerWaalsContact O-N 3.14Å; E204-R208 IonicContact OE1-NH2 3.32Å; E204-R208 PolarHBondContact OE1-NH2 2.93Å |
| 205 | R | 79.8 | Confident | 75.3 | Confident | 76 Ų | 76 | 106 Ų | 106 | 29% | 0.287 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.9 | -48.7 | 170.8 | -69.3 | -171.8 | -70.4 | 174.7 | -5.7 | 112 | N197 T201 E202 A207 R208 L209 | N197-R205 PolarHBondContact OD1-NH1 3.27Å; N197-R205 PolarHBondContact OD1-NH2 3.48Å; T201-R205 PolarHBondContact O-N 3.31Å; E202-R205 PolarHBondContact O-N 3.39Å; R205-A207 VanDerWaalsContact C-N 3.3Å; R205-A207 PolarHBondContact O-N 2.84Å; R205-R208 PolarHBondContact O-N 3.41Å; R205-L209 PolarHBondContact O-N 3.46Å |
| 206 | V | 79.4 | Confident | 76 | Confident | 69 Ų | 69 | 102.2 Ų | 102.2 | 42% | 0.418 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 177.5 | 174.8 | 0 | 0 | 0 | 0 | 111 | E202 R208 L209 C210 | E202-V206 WeakPolarHBondContact O-CG2 3.45Å; E202-V206 PolarHBondContact O-N 3.16Å; E202-V206 VanDerWaalsContact O-N 3.16Å; V206-R208 VanDerWaalsContact C-N 3.33Å; V206-R208 PolarHBondContact O-N 2.94Å; V206-L209 PolarHBondContact O-N 3.39Å; V206-C210 WeakPolarHBondContact O-CB 3.01Å; V206-C210 PolarHBondContact O-N 2.77Å |
| 207 | A | 81.3 | Confident | 76.5 | Confident | 51 Ų | 51 | 101.8 Ų | 101.8 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.8 | -32.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | W203 E204 R205 F212 | W203-A207 VanDerWaalsContact O-CB 3.27Å; W203-A207 WeakPolarHBondContact O-CB 3.39Å; W203-A207 PolarHBondContact O-N 3.41Å; E204-A207 PolarHBondContact O-N 2.78Å; R205-A207 VanDerWaalsContact C-N 3.3Å; R205-A207 PolarHBondContact O-N 2.84Å; A207-F212 HydrophobicContact CB-CE2 4.48Å |
| 208 | R | 80.4 | Confident | 76.7 | Confident | 164 Ų | 164 | 106.7 Ų | 106.7 | 62% | 0.619 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.8 | -31.4 | 175 | -71.2 | 175.2 | -166.7 | 152.4 | 7.5 | 112.8 | E204 R205 V206 | E204-R208 WeakPolarHBondContact O-CG 3.2Å; E204-R208 PolarHBondContact O-N 2.73Å; E204-R208 VanDerWaalsContact O-N 3.14Å; E204-R208 IonicContact OE1-NH2 3.32Å; E204-R208 PolarHBondContact OE1-NH2 2.93Å; R205-R208 PolarHBondContact O-N 3.41Å; V206-R208 VanDerWaalsContact C-N 3.33Å; V206-R208 PolarHBondContact O-N 2.94Å |
| 209 | L | 77.8 | Confident | 76.8 | Confident | 113 Ų | 113 | 110.2 Ų | 110.2 | 59% | 0.592 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -84.8 | -26.6 | -179.7 | -68 | 169.3 | 0 | 0 | 0 | 113 | R205 V206 | R205-L209 PolarHBondContact O-N 3.46Å; V206-L209 PolarHBondContact O-N 3.39Å |
| 210 | C | 78.5 | Confident | 76.7 | Confident | 60 Ų | 60 | 109.5 Ų | 109.5 | 41% | 0.405 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -92 | 116 | 178.8 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | V206 F212 | V206-C210 WeakPolarHBondContact O-CB 3.01Å; V206-C210 PolarHBondContact O-N 2.77Å; C210-F212 HydrophobicContact CB-CD2 4.3Å; C210-F212 HydrophobicContact CB-CE1 4.45Å; C210-F212 HydrophobicContact CB-CE2 3.68Å; C210-F212 HydrophobicContact CB-CZ 3.76Å; C210-F212 VanDerWaalsContact O-CD2 3.27Å; C210-F212 WeakPolarHBondContact O-CD2 3.4Å; C210-F212 PolarHBondContact O-N 2.91Å; C210-F212 VanDerWaalsContact O-N 3.13Å |
| 211 | D | 75.7 | Confident | 76.7 | Confident | 107 Ų | 107 | 115.1 Ų | 115.1 | 57% | 0.572 | 58% | 0.581 | S | S | * | * | trans | -75.4 | 100.6 | 171.7 | -176.8 | 12.1 | 0 | 0 | 0 | 111.1 | N213 S216 | D211-N213 PolarHBondContact O-N 3.48Å; D211-N213 WeakPolarHBondContact OD1-CB 3.34Å; D211-N213 PolarHBondContact OD1-N 2.89Å; D211-S216 VanDerWaalsContact CG-OG 3.25Å; D211-S216 WeakPolarHBondContact OD2-CB 3.48Å; D211-S216 PolarHBondContact OD2-OG 3.33Å | ||
| 212 | F | 77.6 | Confident | 76.7 | Confident | 160 Ų | 160 | 120.1 Ų | 120.1 | 70% | 0.702 | 61% | 0.606 | S | S | * | * | trans | -83.6 | 7.2 | 175.4 | -66.2 | -73.4 | 0 | 0 | 0 | 113.7 | A207 C210 P214 | A207-F212 HydrophobicContact CB-CE2 4.48Å; C210-F212 HydrophobicContact CB-CD2 4.3Å; C210-F212 HydrophobicContact CB-CE1 4.45Å; C210-F212 HydrophobicContact CB-CE2 3.68Å; C210-F212 HydrophobicContact CB-CZ 3.76Å; C210-F212 VanDerWaalsContact O-CD2 3.27Å; C210-F212 WeakPolarHBondContact O-CD2 3.4Å; C210-F212 PolarHBondContact O-N 2.91Å; C210-F212 VanDerWaalsContact O-N 3.13Å; F212-P214 VanDerWaalsContact O-CD 3.24Å; F212-P214 WeakPolarHBondContact O-CD 3.4Å; F212-P214 VanDerWaalsContact O-N 3.13Å | ||
| 213 | N | 79.8 | Confident | 76.9 | Confident | 76 Ų | 76 | 116.9 Ų | 116.9 | 41% | 0.406 | 59% | 0.594 | S | S | . | * | trans | -61.7 | 117.1 | 178.9 | -175.2 | -5.1 | 0 | 0 | 0 | 110.3 | D211 K215 S216 | D211-N213 PolarHBondContact O-N 3.48Å; D211-N213 WeakPolarHBondContact OD1-CB 3.34Å; D211-N213 PolarHBondContact OD1-N 2.89Å; N213-K215 PolarHBondContact O-N 2.93Å; N213-K215 WeakPolarHBondContact OD1-CB 3.49Å; N213-K215 PolarHBondContact OD1-N 2.75Å; N213-S216 PolarHBondContact O-N 3.43Å; N213-S216 PolarHBondContact O-OG 3.15Å | ||
| 214 | P | 73.3 | Confident | 77.3 | Confident | 120 Ų | 120 | 110.4 Ų | 110.4 | 78% | 0.779 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | -12.3 | -179.5 | 23.6 | -32.1 | 0 | 0 | 0 | 113.2 | F212 | F212-P214 VanDerWaalsContact O-CD 3.24Å; F212-P214 WeakPolarHBondContact O-CD 3.4Å; F212-P214 VanDerWaalsContact O-N 3.13Å |
| 215 | K | 73.6 | Confident | 77.6 | Confident | 176 Ų | 176 | 115.6 Ų | 115.6 | 77% | 0.765 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -18.8 | 175.5 | -60.6 | -179.8 | 179.2 | 177.2 | 0 | 114.3 | N213 | N213-K215 PolarHBondContact O-N 2.93Å; N213-K215 WeakPolarHBondContact OD1-CB 3.49Å; N213-K215 PolarHBondContact OD1-N 2.75Å |
| 216 | S | 69.7 | Low | 78.2 | Confident | 54 Ų | 54 | 117.2 Ų | 117.2 | 38% | 0.378 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.7 | -25.9 | 178.9 | 63.2 | 0 | 0 | 0 | 0 | 112.5 | D211 N213 K218 | D211-S216 VanDerWaalsContact CG-OG 3.25Å; D211-S216 WeakPolarHBondContact OD2-CB 3.48Å; D211-S216 PolarHBondContact OD2-OG 3.33Å; N213-S216 PolarHBondContact O-N 3.43Å; N213-S216 PolarHBondContact O-OG 3.15Å; S216-K218 VanDerWaalsContact C-N 3.3Å; S216-K218 PolarHBondContact O-N 2.84Å |
| 217 | S | 67 | Low | 78.8 | Confident | 76 Ų | 76 | 121.4 Ų | 121.4 | 53% | 0.531 | 62% | 0.616 | S | S | . | * | trans | -74 | 74.9 | 174.2 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | Q219 | S217-Q219 VanDerWaalsContact C-N 3.28Å; S217-Q219 PolarHBondContact O-N 3.37Å | ||
| 218 | K | 68.2 | Low | 79.3 | Confident | 196 Ų | 196 | 122.5 Ų | 122.5 | 85% | 0.852 | 62% | 0.621 | S | S | * | * | trans | -79.1 | -5.6 | 173.3 | -64.8 | -178 | -176.7 | 174.7 | 0 | 114.1 | S216 | S216-K218 VanDerWaalsContact C-N 3.3Å; S216-K218 PolarHBondContact O-N 2.84Å | ||
| 219 | Q | 73.8 | Confident | 79.8 | Confident | 169 Ų | 169 | 118.4 Ų | 118.4 | 79% | 0.79 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -89.5 | 142.1 | -177.2 | -58.4 | -157.8 | -4.3 | 0 | 0 | 111.6 | S217 K221 | S217-Q219 VanDerWaalsContact C-N 3.28Å; S217-Q219 PolarHBondContact O-N 3.37Å; Q219-K221 PolarHBondContact O-N 2.86Å |
| 220 | A | 71.9 | Confident | 80.5 | Confident | 102 Ų | 102 | 118.1 Ų | 118.1 | 84% | 0.843 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 127.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109 | D222 | A220-D222 PolarHBondContact O-N 2.99Å; A220-D222 VanDerWaalsContact O-N 3.14Å |
| 221 | K | 77.5 | Confident | 81.2 | Confident | 181 Ų | 181 | 119.5 Ų | 119.5 | 79% | 0.787 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 119.9 | -178.9 | -63.1 | 178.9 | -178.5 | -178.1 | 0 | 109.3 | Q219 V223 | Q219-K221 PolarHBondContact O-N 2.86Å; K221-V223 PolarHBondContact O-N 2.85Å |
| 222 | D | 81.2 | Confident | 81.8 | Confident | 140 Ų | 140 | 117.7 Ų | 117.7 | 75% | 0.749 | 61% | 0.61 | S | S | * | * | trans | -69.7 | 105.4 | 174.8 | -174.8 | 2.7 | 0 | 0 | 0 | 109.7 | A220 S224 | A220-D222 PolarHBondContact O-N 2.99Å; A220-D222 VanDerWaalsContact O-N 3.14Å; D222-S224 WeakPolarHBondContact OD1-CA 3.38Å; D222-S224 WeakPolarHBondContact OD1-CB 3.44Å; D222-S224 PolarHBondContact OD1-N 3.29Å | ||
| 223 | V | 86.1 | Confident | 82.4 | Confident | 46 Ų | 46 | 114.1 Ų | 114.1 | 28% | 0.279 | 60% | 0.598 | S | S | . | * | trans | -96.2 | 9.3 | 177.9 | -69.8 | 0 | 0 | 0 | 0 | 112.2 | K221 R225 M226 R227 | K221-V223 PolarHBondContact O-N 2.85Å; V223-R225 VanDerWaalsContact C-N 3.32Å; V223-R225 PolarHBondContact O-N 3.1Å; V223-M226 HydrophobicContact CB-CE 3.73Å; V223-M226 HydrophobicContact CG1-CE 3.5Å; V223-M226 PolarHBondContact O-N 2.66Å; V223-M226 VanDerWaalsContact O-N 3.15Å; V223-R227 HydrophobicContact CB-CG 4.47Å; V223-R227 HydrophobicContact CG2-CG 4.25Å; V223-R227 WeakPolarHBondContact O-CB 3.36Å; V223-R227 VanDerWaalsContact O-CG 3.3Å; V223-R227 WeakPolarHBondContact O-CG 3.22Å; V223-R227 PolarHBondContact O-N 2.87Å | ||
| 224 | S | 90.7 | Very high | 82.7 | Confident | 73 Ų | 73 | 119 Ų | 119 | 51% | 0.51 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -58 | -42 | -175.4 | -170.2 | 0 | 0 | 0 | 0 | 112.2 | D222 R227 S228 | D222-S224 WeakPolarHBondContact OD1-CA 3.38Å; D222-S224 WeakPolarHBondContact OD1-CB 3.44Å; D222-S224 PolarHBondContact OD1-N 3.29Å; S224-R227 PolarHBondContact O-N 2.95Å; S224-S228 VanDerWaalsContact O-CB 3.31Å; S224-S228 WeakPolarHBondContact O-CB 3.16Å; S224-S228 PolarHBondContact O-N 2.91Å |
| 225 | R | 87.5 | Confident | 83.4 | Confident | 218 Ų | 218 | 120.7 Ų | 120.7 | 82% | 0.823 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.5 | -43.9 | 175.9 | -169.2 | 169.9 | 179.1 | 171.4 | -1.4 | 112.5 | V223 S228 V229 | V223-R225 VanDerWaalsContact C-N 3.32Å; V223-R225 PolarHBondContact O-N 3.1Å; R225-S228 PolarHBondContact O-N 2.95Å; R225-V229 WeakPolarHBondContact O-CG2 3.11Å; R225-V229 PolarHBondContact O-N 2.99Å; R225-V229 VanDerWaalsContact O-N 3.07Å |
| 226 | M | 91.8 | Very high | 84 | Confident | 111 Ų | 111 | 115.1 Ų | 115.1 | 55% | 0.547 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.5 | -43.8 | 175.8 | -179.4 | 176.9 | 58.1 | 0 | 0 | 111.3 | V223 S228 V229 L230 | V223-M226 HydrophobicContact CB-CE 3.73Å; V223-M226 HydrophobicContact CG1-CE 3.5Å; V223-M226 PolarHBondContact O-N 2.66Å; V223-M226 VanDerWaalsContact O-N 3.15Å; M226-S228 VanDerWaalsContact C-N 3.34Å; M226-S228 PolarHBondContact O-N 3.02Å; M226-V229 PolarHBondContact O-N 2.91Å; M226-L230 HydrophobicContact CG-CD1 4.04Å; M226-L230 WeakPolarHBondContact O-CB 3.2Å; M226-L230 VanDerWaalsContact O-CG 3.27Å; M226-L230 WeakPolarHBondContact O-CG 3.35Å; M226-L230 PolarHBondContact O-N 2.86Å |
| 227 | R | 91.1 | Very high | 84.3 | Confident | 157 Ų | 157 | 117.3 Ų | 117.3 | 59% | 0.592 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61 | -43.3 | 175.8 | -72.7 | 178.3 | -176 | -87.7 | 0.1 | 111.2 | V223 S224 L230 I231 | V223-R227 HydrophobicContact CB-CG 4.47Å; V223-R227 HydrophobicContact CG2-CG 4.25Å; V223-R227 WeakPolarHBondContact O-CB 3.36Å; V223-R227 VanDerWaalsContact O-CG 3.3Å; V223-R227 WeakPolarHBondContact O-CG 3.22Å; V223-R227 PolarHBondContact O-N 2.87Å; S224-R227 PolarHBondContact O-N 2.95Å; R227-L230 PolarHBondContact O-N 3.02Å; R227-I231 WeakPolarHBondContact O-CB 3.12Å; R227-I231 WeakPolarHBondContact O-CD1 3.24Å; R227-I231 WeakPolarHBondContact O-CG1 3.22Å; R227-I231 PolarHBondContact O-N 2.77Å |
| 228 | S | 92.6 | Very high | 84.8 | Confident | 74 Ų | 74 | 120.6 Ų | 120.6 | 52% | 0.517 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -59.4 | -47.6 | 176.9 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | S224 R225 M226 I231 S232 | S224-S228 VanDerWaalsContact O-CB 3.31Å; S224-S228 WeakPolarHBondContact O-CB 3.16Å; S224-S228 PolarHBondContact O-N 2.91Å; R225-S228 PolarHBondContact O-N 2.95Å; M226-S228 VanDerWaalsContact C-N 3.34Å; M226-S228 PolarHBondContact O-N 3.02Å; S228-I231 PolarHBondContact O-N 2.97Å; S228-S232 WeakPolarHBondContact O-CB 3.34Å; S228-S232 PolarHBondContact O-N 2.91Å |
| 229 | V | 91.4 | Very high | 85.1 | Confident | 78 Ų | 78 | 118 Ų | 118 | 47% | 0.473 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.7 | -45.4 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | R225 M226 I231 S232 L233 | R225-V229 WeakPolarHBondContact O-CG2 3.11Å; R225-V229 PolarHBondContact O-N 2.99Å; R225-V229 VanDerWaalsContact O-N 3.07Å; M226-V229 PolarHBondContact O-N 2.91Å; V229-I231 VanDerWaalsContact C-N 3.32Å; V229-I231 PolarHBondContact O-N 3.24Å; V229-S232 PolarHBondContact O-N 3.15Å; V229-L233 HydrophobicContact CG1-CD1 3.91Å; V229-L233 HydrophobicContact CG1-CG 4.44Å; V229-L233 WeakPolarHBondContact O-CG 3.4Å; V229-L233 PolarHBondContact O-N 2.52Å |
| 230 | L | 92.1 | Very high | 84.4 | Confident | 106 Ų | 106 | 124.8 Ų | 124.8 | 56% | 0.555 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62.8 | -38.9 | 177.8 | -70.8 | 172 | 0 | 0 | 0 | 112.3 | M226 R227 K234 | M226-L230 HydrophobicContact CG-CD1 4.04Å; M226-L230 WeakPolarHBondContact O-CB 3.2Å; M226-L230 VanDerWaalsContact O-CG 3.27Å; M226-L230 WeakPolarHBondContact O-CG 3.35Å; M226-L230 PolarHBondContact O-N 2.86Å; R227-L230 PolarHBondContact O-N 3.02Å; L230-K234 WeakPolarHBondContact O-CB 3.34Å; L230-K234 PolarHBondContact O-N 2.9Å |
| 231 | I | 92.3 | Very high | 85 | Confident | 90 Ų | 90 | 126 Ų | 126 | 46% | 0.462 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.5 | -44.4 | 175.6 | -70.8 | 164.3 | 0 | 0 | 0 | 110.3 | R227 S228 V229 L233 K234 Q235 | R227-I231 WeakPolarHBondContact O-CB 3.12Å; R227-I231 WeakPolarHBondContact O-CD1 3.24Å; R227-I231 WeakPolarHBondContact O-CG1 3.22Å; R227-I231 PolarHBondContact O-N 2.77Å; S228-I231 PolarHBondContact O-N 2.97Å; V229-I231 VanDerWaalsContact C-N 3.32Å; V229-I231 PolarHBondContact O-N 3.24Å; I231-L233 VanDerWaalsContact C-N 3.35Å; I231-L233 PolarHBondContact O-N 3Å; I231-K234 WeakPolarHBondContact O-CB 3.4Å; I231-K234 PolarHBondContact O-N 2.86Å; I231-K234 VanDerWaalsContact O-N 3.14Å; I231-Q235 HydrophobicContact CG2-CG 4.32Å; I231-Q235 WeakPolarHBondContact O-CB 3.08Å; I231-Q235 WeakPolarHBondContact O-CG 3.39Å; I231-Q235 PolarHBondContact O-N 3.04Å |
| 232 | S | 89.1 | Confident | 85.4 | Confident | 68 Ų | 68 | 123.1 Ų | 123.1 | 48% | 0.476 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60.1 | -44.5 | 177.1 | -172 | 0 | 0 | 0 | 0 | 111.6 | S228 V229 K234 Q235 A236 | S228-S232 WeakPolarHBondContact O-CB 3.34Å; S228-S232 PolarHBondContact O-N 2.91Å; V229-S232 PolarHBondContact O-N 3.15Å; S232-K234 VanDerWaalsContact C-N 3.28Å; S232-K234 PolarHBondContact O-N 2.81Å; S232-Q235 PolarHBondContact O-N 3.3Å; S232-A236 PolarHBondContact O-N 3.18Å |
| 233 | L | 89.2 | Confident | 85.7 | Confident | 85 Ų | 85 | 122.1 Ų | 122.1 | 45% | 0.445 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.8 | -28 | 177.1 | -70.8 | 170.5 | 0 | 0 | 0 | 112.8 | V229 I231 A236 L238 | V229-L233 HydrophobicContact CG1-CD1 3.91Å; V229-L233 HydrophobicContact CG1-CG 4.44Å; V229-L233 WeakPolarHBondContact O-CG 3.4Å; V229-L233 PolarHBondContact O-N 2.52Å; I231-L233 VanDerWaalsContact C-N 3.35Å; I231-L233 PolarHBondContact O-N 3Å; L233-A236 CarbonylContact O-C 3.55Å; L233-L238 HydrophobicContact CD2-CD1 4.26Å; L233-L238 HydrophobicContact CD2-CD2 4.2Å; L233-L238 HydrophobicContact CD2-CG 4.12Å |
| 234 | K | 87.6 | Confident | 85.6 | Confident | 179 Ų | 179 | 126.6 Ų | 126.6 | 78% | 0.778 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -73.2 | -36.9 | 172.6 | -172.6 | -176.4 | 178.7 | -169.9 | 0 | 112 | L230 I231 S232 | L230-K234 WeakPolarHBondContact O-CB 3.34Å; L230-K234 PolarHBondContact O-N 2.9Å; I231-K234 WeakPolarHBondContact O-CB 3.4Å; I231-K234 PolarHBondContact O-N 2.86Å; I231-K234 VanDerWaalsContact O-N 3.14Å; S232-K234 VanDerWaalsContact C-N 3.28Å; S232-K234 PolarHBondContact O-N 2.81Å |
| 235 | Q | 87.9 | Confident | 85.3 | Confident | 155 Ų | 155 | 129.9 Ų | 129.9 | 72% | 0.724 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -81.9 | -33.3 | -177.3 | -72.3 | 175 | -15.4 | 0 | 0 | 112.8 | I231 S232 | I231-Q235 HydrophobicContact CG2-CG 4.32Å; I231-Q235 WeakPolarHBondContact O-CB 3.08Å; I231-Q235 WeakPolarHBondContact O-CG 3.39Å; I231-Q235 PolarHBondContact O-N 3.04Å; S232-Q235 PolarHBondContact O-N 3.3Å |
| 236 | A | 85.3 | Confident | 85.2 | Confident | 60 Ų | 60 | 124.1 Ų | 124.1 | 50% | 0.496 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -121.2 | 90.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | S232 L233 L238 | S232-A236 PolarHBondContact O-N 3.18Å; L233-A236 CarbonylContact O-C 3.55Å; A236-L238 PolarHBondContact O-N 3.27Å |
| 237 | P | 76.6 | Confident | 84.7 | Confident | 99 Ų | 99 | 125 Ų | 125 | 64% | 0.643 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -58 | 135.6 | 175.5 | -13.4 | 24.5 | 0 | 0 | 0 | 109 | V239 | P237-V239 PolarHBondContact O-N 3.48Š|
| 238 | L | 77.1 | Confident | 84.2 | Confident | 145 Ų | 145 | 122.5 Ų | 122.5 | 76% | 0.759 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 117 | 173.1 | -66.4 | 167.2 | 0 | 0 | 0 | 107.9 | L233 A236 R240 | L233-L238 HydrophobicContact CD2-CD1 4.26Å; L233-L238 HydrophobicContact CD2-CD2 4.2Å; L233-L238 HydrophobicContact CD2-CG 4.12Å; A236-L238 PolarHBondContact O-N 3.27Å; L238-R240 PolarHBondContact O-N 3.11Å; L238-R240 VanDerWaalsContact O-N 3.16Å |
| 239 | V | 75.2 | Confident | 83.5 | Confident | 143 Ų | 143 | 126.6 Ų | 126.6 | 87% | 0.867 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -61 | 118.9 | 172.6 | -178 | 0 | 0 | 0 | 0 | 106.2 | P237 | P237-V239 PolarHBondContact O-N 3.48Š|
| 240 | R | 58.4 | Low | 82.8 | Confident | 311 Ų | 311 | 131 Ų | 131 | 100% | 1.174 | 67% | 0.671 | S | S | * | * | trans | -67.1 | 0 | 175 | -85.8 | -170.5 | 178.5 | 128.2 | -1.7 | 111.1 | L238 | L238-R240 PolarHBondContact O-N 3.11Å; L238-R240 VanDerWaalsContact O-N 3.16Å |
Retrieved 240 of 240 residues in 260.8 ms
(Link to these results)