| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36 | Very low | 44.3 | Very low | 255 Ų | 255 | 149.1 Ų | 149.1 | 100% | 1.256 | 87% | 0.869 | S | S | * | * | 0 | 116.3 | 0 | -66.4 | 160.6 | 158.4 | 0 | 0 | 107.8 | |||||
| 2 | G | 42 | Very low | 45.2 | Very low | 69 Ų | 69 | 146.3 Ų | 146.3 | 71% | 0.711 | 86% | 0.859 | S | S | * | * | cis | -161.6 | 154.9 | -15.2 | 0 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 3 | P | 44.5 | Very low | 46.3 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 86% | 0.864 | 85% | 0.851 | S | S | * | * | trans | -77.7 | 133.7 | -164.6 | 30.9 | -31.7 | 0 | 0 | 0 | 111.9 | A5 | P3-A5 PolarHBondContact O-N 3.19Š| ||
| 4 | A | 44.5 | Very low | 47.3 | Very low | 102 Ų | 102 | 142 Ų | 142 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | trans | -71.7 | 114.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 5 | A | 42.1 | Very low | 48.1 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 128.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | P3 | P3-A5 PolarHBondContact O-N 3.19Š|
| 6 | R | 51.6 | Low | 48.7 | Very low | 237 Ų | 237 | 138.8 Ų | 138.8 | 89% | 0.894 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 142.2 | 170.5 | -78.5 | 178.5 | 169.2 | -173.8 | -4.3 | 110.3 | A8 | R6-A8 PolarHBondContact O-N 3.35Š|
| 7 | P | 43.1 | Very low | 49.1 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 129.4 | 174.8 | 28.5 | -30.6 | 0 | 0 | 0 | 110.2 | L9 | P7-L9 PolarHBondContact O-N 3.49Š|
| 8 | A | 43.9 | Very low | 49.6 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 122.8 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | R6 R10 | R6-A8 PolarHBondContact O-N 3.35Å; A8-R10 PolarHBondContact O-N 2.79Å; A8-R10 VanDerWaalsContact O-N 3.12Å |
| 9 | L | 45.4 | Very low | 49.7 | Very low | 179 Ų | 179 | 135.1 Ų | 135.1 | 94% | 0.937 | 82% | 0.82 | S | S | * | * | trans | -60.2 | 110.4 | 168.2 | -85.2 | 142.2 | 0 | 0 | 0 | 109 | P7 S11 | P7-L9 PolarHBondContact O-N 3.49Å; L9-S11 PolarHBondContact O-N 3.39Å | ||
| 10 | R | 45.8 | Very low | 49.7 | Very low | 241 Ų | 241 | 132.9 Ų | 132.9 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 127.8 | 170.3 | -74.8 | -179 | 171.3 | -169.7 | -2.8 | 108.9 | A8 | A8-R10 PolarHBondContact O-N 2.79Å; A8-R10 VanDerWaalsContact O-N 3.12Å |
| 11 | S | 48.5 | Very low | 50.1 | Low | 108 Ų | 108 | 129.6 Ų | 129.6 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 144.7 | 168.3 | 41.8 | 0 | 0 | 0 | 0 | 110.7 | L9 | L9-S11 PolarHBondContact O-N 3.39Š|
| 12 | P | 54.8 | Low | 51.1 | Low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 146.5 | 174.3 | 27.4 | -32.6 | 0 | 0 | 0 | 110.7 | ||
| 13 | P | 60 | Low | 51.6 | Low | 116 Ų | 116 | 125.3 Ų | 125.3 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 149.7 | 179.1 | 27.6 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 14 | P | 59.8 | Low | 51.9 | Low | 117 Ų | 117 | 123.9 Ų | 123.9 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 149.7 | 176.5 | 27.4 | -34 | 0 | 0 | 0 | 111.4 | ||
| 15 | P | 58.7 | Low | 52.3 | Low | 118 Ų | 118 | 124.8 Ų | 124.8 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 148.2 | 179 | 27.4 | -34.1 | 0 | 0 | 0 | 111.4 | ||
| 16 | P | 58.1 | Low | 52.7 | Low | 114 Ų | 114 | 124.7 Ų | 124.7 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 148.2 | -179.7 | 27.1 | -34 | 0 | 0 | 0 | 111.4 | ||
| 17 | P | 56 | Low | 52.9 | Low | 115 Ų | 115 | 118.8 Ų | 118.8 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 147.9 | 176.5 | 26.9 | -33.9 | 0 | 0 | 0 | 110.9 | ||
| 18 | P | 58 | Low | 53.4 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 75% | 0.753 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 147.3 | 178.3 | 27.1 | -34.1 | 0 | 0 | 0 | 110.7 | ||
| 19 | P | 51.3 | Low | 53.7 | Low | 116 Ų | 116 | 116.9 Ų | 116.9 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 143.4 | -179.5 | 25.7 | -33.7 | 0 | 0 | 0 | 110.5 | S21 | P19-S21 PolarHBondContact O-N 2.92Š|
| 20 | P | 49.8 | Very low | 54.1 | Low | 91 Ų | 91 | 113 Ų | 113 | 59% | 0.591 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.8 | 175 | 26.1 | -33 | 0 | 0 | 0 | 109.2 | ||
| 21 | S | 58.9 | Low | 54.2 | Low | 64 Ų | 64 | 104.2 Ų | 104.2 | 45% | 0.448 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 139.1 | 176 | 41.5 | 0 | 0 | 0 | 0 | 110.3 | P19 L23 L24 | P19-S21 PolarHBondContact O-N 2.92Å; S21-L23 PolarHBondContact O-N 3.16Å; S21-L24 PolarHBondContact O-N 3.01Å |
| 22 | P | 55.2 | Low | 54.2 | Low | 102 Ų | 102 | 105.3 Ų | 105.3 | 66% | 0.662 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -13.7 | -174.2 | 22.2 | -32.9 | 0 | 0 | 0 | 113.8 | ||
| 23 | L | 53.2 | Low | 53.8 | Low | 131 Ų | 131 | 111 Ų | 111 | 69% | 0.686 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -25.4 | 174.6 | -65.3 | 172.8 | 0 | 0 | 0 | 113.7 | S21 | S21-L23 PolarHBondContact O-N 3.16Š|
| 24 | L | 50.5 | Low | 53.1 | Low | 103 Ų | 103 | 109 Ų | 109 | 54% | 0.539 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | -21.8 | 177.4 | -74.8 | 171.1 | 0 | 0 | 0 | 113.2 | S21 L26 L27 | S21-L24 PolarHBondContact O-N 3.01Å; L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 3.33Å; L24-L27 HydrophobicContact CD2-CD2 4.49Å |
| 25 | L | 53.1 | Low | 52.3 | Low | 121 Ų | 121 | 106.6 Ų | 106.6 | 63% | 0.634 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -74.4 | -16.6 | 174.1 | -81.9 | 159.4 | 0 | 0 | 0 | 113 | ||
| 26 | L | 51.8 | Low | 51.7 | Low | 98 Ų | 98 | 107.4 Ų | 107.4 | 51% | 0.513 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -96.8 | -12 | -179.7 | -65 | 171.9 | 0 | 0 | 0 | 113.4 | L24 P28 L29 | L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 3.33Å; L26-P28 VanDerWaalsContact C-CD 3.48Å; L26-L29 HydrophobicContact CD2-CD1 3.95Å; L26-L29 PolarHBondContact O-N 3.46Å; L26-L29 VanDerWaalsContact O-N 3.1Å |
| 27 | L | 54.5 | Low | 50.8 | Low | 112 Ų | 112 | 105.4 Ų | 105.4 | 59% | 0.586 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -56.2 | -39.3 | 175.5 | -116.3 | 75.7 | 0 | 0 | 0 | 114.7 | L24 L29 L30 | L24-L27 HydrophobicContact CD2-CD2 4.49Å; L27-L29 VanDerWaalsContact C-N 3.26Å; L27-L29 PolarHBondContact O-N 3.41Å; L27-L30 PolarHBondContact O-N 3.46Å |
| 28 | P | 54.5 | Low | 50 | Low | 95 Ų | 95 | 102.8 Ų | 102.8 | 62% | 0.617 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -77.2 | -6.6 | 177.1 | 28.5 | -33 | 0 | 0 | 0 | 114.2 | L26 P31 | L26-P28 VanDerWaalsContact C-CD 3.48Å; P28-P31 WeakPolarHBondContact O-CD 3.32Å |
| 29 | L | 50 | Low | 49.1 | Very low | 82 Ų | 82 | 103.6 Ų | 103.6 | 43% | 0.429 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -94.3 | -12.2 | 175.6 | -63.3 | 176.3 | 0 | 0 | 0 | 112.9 | L26 L27 P31 L32 W33 | L26-L29 HydrophobicContact CD2-CD1 3.95Å; L26-L29 PolarHBondContact O-N 3.46Å; L26-L29 VanDerWaalsContact O-N 3.1Å; L27-L29 VanDerWaalsContact C-N 3.26Å; L27-L29 PolarHBondContact O-N 3.41Å; L29-P31 VanDerWaalsContact C-CD 3.41Å; L29-L32 WeakPolarHBondContact O-CB 3.31Å; L29-L32 PolarHBondContact O-N 2.74Å; L29-L32 VanDerWaalsContact O-N 3.15Å; L29-W33 PolarHBondContact O-N 2.94Å |
| 30 | L | 52.9 | Low | 48.3 | Very low | 98 Ų | 98 | 101.6 Ų | 101.6 | 51% | 0.513 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -55.7 | -40.7 | 175 | -128.1 | 102.6 | 0 | 0 | 0 | 113.5 | L27 L32 W33 L34 | L27-L30 PolarHBondContact O-N 3.46Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 3.2Å; L30-W33 PolarHBondContact O-N 3.29Å; L30-L34 HydrophobicContact CD2-CD1 3.75Å; L30-L34 HydrophobicContact CG-CD1 4.17Å; L30-L34 WeakPolarHBondContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CD1 3.16Å; L30-L34 PolarHBondContact O-N 2.98Å |
| 31 | P | 49.2 | Very low | 47.7 | Very low | 56 Ų | 56 | 102.5 Ų | 102.5 | 36% | 0.364 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.3 | -27.8 | 177.2 | -17.3 | 30.1 | 0 | 0 | 0 | 113.9 | P28 L29 G35 L36 | P28-P31 WeakPolarHBondContact O-CD 3.32Å; L29-P31 VanDerWaalsContact C-CD 3.41Å; P31-G35 PolarHBondContact O-N 3.34Å; P31-G35 VanDerWaalsContact O-N 3.13Å; P31-L36 PolarHBondContact O-N 2.82Å; P31-L36 VanDerWaalsContact O-N 3.1Å |
| 32 | L | 48 | Very low | 46.3 | Very low | 132 Ų | 132 | 104 Ų | 104 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.5 | -37.7 | 174.8 | -110.5 | 96.4 | 0 | 0 | 0 | 111.5 | L29 L30 | L29-L32 WeakPolarHBondContact O-CB 3.31Å; L29-L32 PolarHBondContact O-N 2.74Å; L29-L32 VanDerWaalsContact O-N 3.15Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 3.2Å |
| 33 | W | 46.3 | Very low | 45.6 | Very low | 233 Ų | 233 | 103.5 Ų | 103.5 | 88% | 0.883 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.7 | -25.9 | 176.4 | -85.5 | 80.1 | 0 | 0 | 0 | 113.3 | L29 L30 | L29-W33 PolarHBondContact O-N 2.94Å; L30-W33 PolarHBondContact O-N 3.29Å |
| 34 | L | 45.3 | Very low | 44.4 | Very low | 74 Ų | 74 | 105 Ų | 105 | 39% | 0.387 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.5 | -1.3 | 177.3 | -82 | 146.7 | 0 | 0 | 0 | 114.2 | L30 L36 L260 | L30-L34 HydrophobicContact CD2-CD1 3.75Å; L30-L34 HydrophobicContact CG-CD1 4.17Å; L30-L34 WeakPolarHBondContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CD1 3.16Å; L30-L34 PolarHBondContact O-N 2.98Å; L34-L36 HydrophobicContact CB-CD1 4.03Å; L34-L36 HydrophobicContact CB-CG 4.37Å; L34-L36 PolarHBondContact O-N 2.75Å; L34-L260 HydrophobicContact CD2-CD1 4.05Å; L34-L260 HydrophobicContact CD2-CD2 3.98Å; L34-L260 HydrophobicContact CD2-CG 4.46Å |
| 35 | G | 44 | Very low | 43.8 | Very low | 68 Ų | 68 | 103.8 Ų | 103.8 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.8 | 23.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | P31 | P31-G35 PolarHBondContact O-N 3.34Å; P31-G35 VanDerWaalsContact O-N 3.13Å |
| 36 | L | 46 | Very low | 42.6 | Very low | 134 Ų | 134 | 103.1 Ų | 103.1 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | trans | -92.7 | -4.2 | -174.6 | -78.6 | 165 | 0 | 0 | 0 | 114 | P31 L34 G38 | P31-L36 PolarHBondContact O-N 2.82Å; P31-L36 VanDerWaalsContact O-N 3.1Å; L34-L36 HydrophobicContact CB-CD1 4.03Å; L34-L36 HydrophobicContact CB-CG 4.37Å; L34-L36 PolarHBondContact O-N 2.75Å; L36-G38 PolarHBondContact O-N 3.47Å | ||
| 37 | A | 39.1 | Very low | 41.6 | Very low | 73 Ų | 73 | 108 Ų | 108 | 60% | 0.603 | 69% | 0.692 | S | S | * | * | trans | -87.8 | 76.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 38 | G | 38.2 | Very low | 40.4 | Very low | 59 Ų | 59 | 108.3 Ų | 108.3 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 141.4 | 157 | 0 | 0 | 0 | 0 | 0 | 109.5 | L36 G40 | L36-G38 PolarHBondContact O-N 3.47Å; G38-G40 PolarHBondContact O-N 3.07Å |
| 39 | P | 39.1 | Very low | 39.4 | Very low | 134 Ų | 134 | 108.8 Ų | 108.8 | 87% | 0.87 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 134.9 | -177.8 | 24.7 | -30.8 | 0 | 0 | 0 | 110.4 | A41 | P39-A41 PolarHBondContact O-N 3.42Š|
| 40 | G | 34.8 | Very low | 38.4 | Very low | 74 Ų | 74 | 109.6 Ų | 109.6 | 76% | 0.763 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 134.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G38 A42 | G38-G40 PolarHBondContact O-N 3.07Å; G40-A42 PolarHBondContact O-N 3.12Å |
| 41 | A | 36.2 | Very low | 37.5 | Very low | 110 Ų | 110 | 109 Ų | 109 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | -62.8 | 98.5 | 165 | 0 | 0 | 0 | 0 | 0 | 108.9 | P39 | P39-A41 PolarHBondContact O-N 3.42Š| ||
| 42 | A | 30.9 | Very low | 36.5 | Very low | 94 Ų | 94 | 109.8 Ų | 109.8 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | -93.5 | 116.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | G40 D44 | G40-A42 PolarHBondContact O-N 3.12Å; A42-D44 PolarHBondContact O-N 3.44Å | ||
| 43 | A | 40 | Very low | 35.8 | Very low | 93 Ų | 93 | 107.1 Ų | 107.1 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -61.8 | 118.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 44 | D | 27.8 | Very low | 35.5 | Very low | 162 Ų | 162 | 105.6 Ų | 105.6 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | trans | -166.4 | 132.5 | 142.3 | -95.7 | -26.3 | 0 | 0 | 0 | 108.9 | A42 S46 | A42-D44 PolarHBondContact O-N 3.44Å; D44-S46 PolarHBondContact O-N 3.24Å | ||
| 45 | G | 38.1 | Very low | 35.5 | Very low | 78 Ų | 78 | 104 Ų | 104 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -70.6 | 112.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 46 | S | 28.9 | Very low | 36 | Very low | 107 Ų | 107 | 102.5 Ų | 102.5 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | -168.5 | 123.2 | 147.9 | 2.1 | 0 | 0 | 0 | 0 | 108.5 | D44 P48 | D44-S46 PolarHBondContact O-N 3.24Å; S46-P48 WeakPolarHBondContact O-CD 3.46Å | ||
| 47 | E | 30.8 | Very low | 36.6 | Very low | 200 Ų | 200 | 96.3 Ų | 96.3 | 94% | 0.935 | 71% | 0.713 | S | S | * | * | trans | -57.2 | 133.3 | 174.8 | -69.7 | 176.5 | 91.9 | 0 | 0 | 111.5 | ||||
| 48 | P | 28.7 | Very low | 37.9 | Very low | 118 Ų | 118 | 100 Ų | 100 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | trans | -103.5 | 128.8 | 155.8 | 30.2 | -17.8 | 0 | 0 | 0 | 110 | S46 A50 | S46-P48 WeakPolarHBondContact O-CD 3.46Å; P48-A50 PolarHBondContact O-N 2.98Å; P48-A50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | A | 34.2 | Very low | 39.4 | Very low | 106 Ų | 106 | 97.5 Ų | 97.5 | 88% | 0.876 | 69% | 0.685 | S | S | * | * | trans | -51.5 | 112.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | G51 | A49-G51 PolarHBondContact O-N 3.29Å; A49-G51 VanDerWaalsContact O-N 3.12Å | ||
| 50 | A | 29 | Very low | 41.2 | Very low | 98 Ų | 98 | 91.4 Ų | 91.4 | 81% | 0.81 | 65% | 0.645 | S | S | * | * | trans | -80.1 | 89.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | P48 A52 | P48-A50 PolarHBondContact O-N 2.98Å; P48-A50 VanDerWaalsContact O-N 3.12Å; A50-A52 VanDerWaalsContact C-N 3.35Å; A50-A52 PolarHBondContact O-N 2.82Å; A50-A52 VanDerWaalsContact O-N 3.16Å | ||
| 51 | G | 33.6 | Very low | 43.4 | Very low | 86 Ų | 86 | 93.4 Ų | 93.4 | 89% | 0.887 | 63% | 0.629 | S | S | * | * | trans | -72.1 | 90.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | A49 | A49-G51 PolarHBondContact O-N 3.29Å; A49-G51 VanDerWaalsContact O-N 3.12Å | ||
| 52 | A | 27.8 | Very low | 45.6 | Very low | 72 Ų | 72 | 88.2 Ų | 88.2 | 60% | 0.595 | 59% | 0.586 | S | S | * | * | trans | -133 | 110.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | A50 R54 | A50-A52 VanDerWaalsContact C-N 3.35Å; A50-A52 PolarHBondContact O-N 2.82Å; A50-A52 VanDerWaalsContact O-N 3.16Å; A52-R54 PolarHBondContact O-N 2.89Å | ||
| 53 | G | 32.8 | Very low | 48.2 | Very low | 77 Ų | 77 | 85.8 Ų | 85.8 | 79% | 0.794 | 56% | 0.56 | S | S | * | * | trans | -48.6 | 107.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E82 | G53-E82 WeakPolarHBondContact CA-OE2 3.42Š| ||
| 54 | R | 40.9 | Very low | 50.4 | Low | 201 Ų | 201 | 81.3 Ų | 81.3 | 76% | 0.758 | 52% | 0.524 | S | S | * | . | trans | -95 | 117.3 | 170.3 | -77.3 | -177.1 | 179.8 | -133.5 | 2.3 | 106.5 | A52 G56 E82 | A52-R54 PolarHBondContact O-N 2.89Å; R54-G56 VanDerWaalsContact C-N 3.3Å; R54-G56 PolarHBondContact O-N 3.49Å; R54-E82 PolarHBondContact N-OE2 2.89Å; R54-E82 WeakPolarHBondContact O-CB 3.21Å | ||
| 55 | G | 44.8 | Very low | 53.1 | Low | 40 Ų | 40 | 80.8 Ų | 80.8 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | trans | -57.2 | 99.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 56 | G | 53.3 | Low | 55.2 | Low | 36 Ų | 36 | 77.8 Ų | 77.8 | 37% | 0.371 | 48% | 0.475 | S | S | . | . | trans | -104.9 | 119.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R54 R58 | R54-G56 VanDerWaalsContact C-N 3.3Å; R54-G56 PolarHBondContact O-N 3.49Å; G56-R58 PolarHBondContact O-N 2.78Å | ||
| 57 | A | 60.4 | Low | 57.4 | Low | 5 Ų | 5 | 77.3 Ų | 77.3 | 4% | 0.041 | 47% | 0.469 | C | S | . | . | trans | -70.8 | 124.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | V77 R78 T219 | A57-V77 HydrophobicContact CB-CG1 3.68Å; A57-R78 VanDerWaalsContact CA-O 3.3Å; A57-R78 WeakPolarHBondContact CA-O 3.45Å; A57-T219 HydrophobicContact CB-CG2 3.61Å | ||
| 58 | R | 65.3 | Low | 59.1 | Low | 149 Ų | 149 | 79 Ų | 79 | 56% | 0.562 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 140.2 | -178.7 | -168.8 | 172.5 | 176.6 | 172.4 | -0.1 | 110.5 | G56 V77 R78 | G56-R58 PolarHBondContact O-N 2.78Å; R58-V77 WeakPolarHBondContact O-CA 3.13Å; R58-R78 PolarHBondContact N-O 3.12Å; R58-R78 PolarHBondContact O-N 3.01Å |
| 59 | A | 69.5 | Low | 61.2 | Low | 8 Ų | 8 | 77.8 Ų | 77.8 | 7% | 0.066 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 136.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G207 L210 | A59-G207 PolarHBondContact O-N 2.81Å; A59-L210 HydrophobicContact CB-CB 4Å; A59-L210 HydrophobicContact CB-CD1 4.35Å; A59-L210 HydrophobicContact CB-CG 4.23Å |
| 60 | V | 76.8 | Confident | 63 | Low | 5 Ų | 5 | 79.6 Ų | 79.6 | 3% | 0.03 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 139 | -176.6 | 169 | 0 | 0 | 0 | 0 | 108.9 | V62 G76 R78 I204 T205 | V60-V62 HydrophobicContact CG1-CG2 4.12Å; V60-G76 PolarHBondContact N-O 3.21Å; V60-G76 PolarHBondContact O-N 3.48Å; V60-G76 VanDerWaalsContact O-O 3.13Å; V60-R78 HydrophobicContact CB-CB 4.4Å; V60-R78 HydrophobicContact CG2-CB 3.49Å; V60-R78 VanDerWaalsContact CG2-CB 3.49Å; V60-I204 HydrophobicContact CG1-CG2 3.29Å; V60-T205 WeakPolarHBondContact CG1-O 3.3Å |
| 61 | R | 80.8 | Confident | 65.5 | Low | 116 Ų | 116 | 78.4 Ų | 78.4 | 44% | 0.438 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 135.8 | 169.7 | 178.3 | 176.3 | -77.9 | -175.6 | -3 | 108.5 | V73 L74 T205 | R61-V73 HydrophobicContact CG-CG1 3.76Å; R61-L74 WeakPolarHBondContact CA-O 3.39Å; R61-T205 PolarHBondContact N-O 3.37Å; R61-T205 PolarHBondContact O-N 2.84Å; R61-T205 PolarHBondContact O-OG1 3.18Å |
| 62 | V | 84.1 | Confident | 67.8 | Low | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.006 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 109.6 | 178.2 | -175 | 0 | 0 | 0 | 0 | 107.6 | V60 V64 L74 I179 L181 A202 I204 | V60-V62 HydrophobicContact CG1-CG2 4.12Å; V62-V64 HydrophobicContact CG1-CG2 3.97Å; V62-L74 HydrophobicContact CB-CB 4.23Å; V62-L74 PolarHBondContact N-O 2.94Å; V62-L74 PolarHBondContact O-N 3.33Å; V62-I179 HydrophobicContact CG2-CG2 4.16Å; V62-L181 HydrophobicContact CB-CD2 4.49Å; V62-L181 HydrophobicContact CG2-CD2 4.06Å; V62-A202 HydrophobicContact CG1-CB 4.02Å; V62-I204 HydrophobicContact CG1-CG1 4.19Å; V62-I204 HydrophobicContact CG2-CG1 4.24Å |
| 63 | D | 84.1 | Confident | 70.5 | Confident | 43 Ų | 43 | 74.3 Ų | 74.3 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 114.4 | 178.4 | -64.2 | -48.5 | 0 | 0 | 0 | 108.5 | V73 A202 E203 | D63-V73 WeakPolarHBondContact OD1-CG2 3.24Å; D63-A202 WeakPolarHBondContact O-CA 3.45Å; D63-E203 PolarHBondContact N-O 2.87Å; D63-E203 PolarHBondContact O-N 3.34Å |
| 64 | V | 86.1 | Confident | 72.9 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.9 | -176.9 | -167.8 | 0 | 0 | 0 | 0 | 110.2 | V62 L66 A71 L72 L74 L93 L190 A200 T201 A202 | V62-V64 HydrophobicContact CG1-CG2 3.97Å; V64-L66 HydrophobicContact CB-CD1 4.36Å; V64-L66 HydrophobicContact CG1-CD1 3.8Å; V64-A71 WeakPolarHBondContact O-CA 3.4Å; V64-L72 HydrophobicContact CB-CB 4.37Å; V64-L72 PolarHBondContact N-O 3.46Å; V64-L72 PolarHBondContact O-N 3.28Å; V64-L74 HydrophobicContact CG2-CD1 3.61Å; V64-L74 HydrophobicContact CG2-CG 4.4Å; V64-L93 HydrophobicContact CG1-CD1 3.7Å; V64-L93 HydrophobicContact CG2-CD1 4.41Å; V64-L190 HydrophobicContact CG1-CD1 3.77Å; V64-L190 HydrophobicContact CG2-CD2 4.32Å; V64-A200 HydrophobicContact CG1-CB 4.1Å; V64-T201 CarbonylContact C-O 3.58Å; V64-T201 WeakPolarHBondContact CA-O 3.43Å; V64-T201 WeakPolarHBondContact CG1-O 3.48Å; V64-A202 HydrophobicContact CG2-CB 4.11Å |
| 65 | R | 84.8 | Confident | 74.7 | Confident | 150 Ų | 150 | 65.7 Ų | 65.7 | 57% | 0.566 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 122 | 175.8 | -57.8 | -177.3 | -167.3 | -175.7 | 9.4 | 109.4 | T201 E203 | R65-T201 PolarHBondContact N-O 3.2Å; R65-T201 PolarHBondContact O-N 3.07Å; R65-T201 VanDerWaalsContact O-N 3.08Å; R65-E203 IonicContact NH2-OE2 3.15Å; R65-E203 PolarHBondContact NH2-OE2 3.49Å; R65-E203 VanDerWaalsContact NH2-OE2 3.15Å |
| 66 | L | 83.5 | Confident | 76.1 | Confident | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | trans | -107.9 | 144 | 174.1 | -77.8 | 79.5 | 0 | 0 | 0 | 109.3 | V64 R68 Q69 L72 L190 A193 A200 | V64-L66 HydrophobicContact CB-CD1 4.36Å; V64-L66 HydrophobicContact CG1-CD1 3.8Å; L66-R68 PolarHBondContact O-N 3.35Å; L66-Q69 HydrophobicContact CB-CB 4.08Å; L66-Q69 HydrophobicContact CD2-CB 4.23Å; L66-Q69 HydrophobicContact CD2-CG 4.29Å; L66-L72 HydrophobicContact CD1-CD1 3.77Å; L66-L72 HydrophobicContact CD1-CG 4.15Å; L66-L72 HydrophobicContact CD2-CD1 4.47Å; L66-L190 HydrophobicContact CD1-CD1 4.45Å; L66-A193 HydrophobicContact CD2-CB 3.33Å; L66-A200 HydrophobicContact CG-CB 4.45Å | ||
| 67 | P | 73.4 | Confident | 77.1 | Confident | 96 Ų | 96 | 63.4 Ų | 63.4 | 62% | 0.623 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -14 | -176.1 | 25 | -34.1 | 0 | 0 | 0 | 114.2 | Q199 | P67-Q199 WeakPolarHBondContact CD-O 3.49Š|
| 68 | R | 67.6 | Low | 77.7 | Confident | 237 Ų | 237 | 65.9 Ų | 65.9 | 89% | 0.894 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.2 | 13.1 | -173.5 | -63.4 | -173.7 | 177.7 | -177.1 | -0.7 | 114.1 | L66 | L66-R68 PolarHBondContact O-N 3.35Š|
| 69 | Q | 72.2 | Confident | 78 | Confident | 91 Ų | 91 | 59 Ų | 59 | 43% | 0.425 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -144.3 | 163 | -178.2 | -60.8 | -175.5 | 19.6 | 0 | 0 | 110.5 | L66 | L66-Q69 HydrophobicContact CB-CB 4.08Å; L66-Q69 HydrophobicContact CD2-CB 4.23Å; L66-Q69 HydrophobicContact CD2-CG 4.29Å |
| 70 | D | 72.8 | Confident | 77.7 | Confident | 145 Ų | 145 | 59.5 Ų | 59.5 | 78% | 0.775 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 151 | 172.9 | -64.5 | -35.6 | 0 | 0 | 0 | 111.3 | L72 | D70-L72 PolarHBondContact O-N 2.96Š|
| 71 | A | 80.2 | Confident | 76.5 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 60% | 0.603 | 33% | 0.325 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 125 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V64 | V64-A71 WeakPolarHBondContact O-CA 3.4Š|
| 72 | L | 83.6 | Confident | 75.1 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.1 | 179.2 | -65.4 | 175.6 | 0 | 0 | 0 | 109.1 | V64 L66 D70 N186 K189 L190 | V64-L72 HydrophobicContact CB-CB 4.37Å; V64-L72 PolarHBondContact N-O 3.46Å; V64-L72 PolarHBondContact O-N 3.28Å; L66-L72 HydrophobicContact CD1-CD1 3.77Å; L66-L72 HydrophobicContact CD1-CG 4.15Å; L66-L72 HydrophobicContact CD2-CD1 4.47Å; D70-L72 PolarHBondContact O-N 2.96Å; L72-N186 HydrophobicContact CD2-CB 4.34Å; L72-K189 HydrophobicContact CD1-CB 4.23Å; L72-K189 HydrophobicContact CD2-CD 4.34Å; L72-L190 HydrophobicContact CD1-CB 4.09Å |
| 73 | V | 83.1 | Confident | 73.2 | Confident | 59 Ų | 59 | 67.9 Ų | 67.9 | 36% | 0.358 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.4 | 171.2 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | R61 D63 N186 | R61-V73 HydrophobicContact CG-CG1 3.76Å; D63-V73 WeakPolarHBondContact OD1-CG2 3.24Å; V73-N186 PolarHBondContact O-ND2 3.42Å |
| 74 | L | 83.4 | Confident | 71 | Confident | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 145.4 | -179.9 | -53.6 | 170.5 | 0 | 0 | 0 | 109.7 | R61 V62 V64 L181 N186 V187 L190 | R61-L74 WeakPolarHBondContact CA-O 3.39Å; V62-L74 HydrophobicContact CB-CB 4.23Å; V62-L74 PolarHBondContact N-O 2.94Å; V62-L74 PolarHBondContact O-N 3.33Å; V64-L74 HydrophobicContact CG2-CD1 3.61Å; V64-L74 HydrophobicContact CG2-CG 4.4Å; L74-L181 HydrophobicContact CB-CD1 4.5Å; L74-L181 HydrophobicContact CB-CD2 4.05Å; L74-L181 HydrophobicContact CD1-CD1 3.87Å; L74-N186 HydrophobicContact CD2-CB 3.39Å; L74-V187 HydrophobicContact CD2-CG2 3.85Å; L74-L190 HydrophobicContact CD1-CD2 3.53Å |
| 75 | E | 78.9 | Confident | 69.1 | Low | 95 Ų | 95 | 78.7 Ų | 78.7 | 44% | 0.444 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 136.5 | 176.8 | -64.8 | -175.7 | 167.1 | 0 | 0 | 109.6 | L210 | E75-L210 HydrophobicContact CB-CD1 3.9Å; E75-L210 HydrophobicContact CG-CD1 4.02Å; E75-L210 WeakPolarHBondContact OE2-CD1 3.34Å |
| 76 | G | 74.6 | Confident | 67.4 | Low | 6 Ų | 6 | 73.3 Ų | 73.3 | 6% | 0.062 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 179.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V60 V180 | V60-G76 PolarHBondContact N-O 3.21Å; V60-G76 PolarHBondContact O-N 3.48Å; V60-G76 VanDerWaalsContact O-O 3.13Å; G76-V180 CarbonylContact C-O 3.48Å; G76-V180 WeakPolarHBondContact CA-O 3.14Å |
| 77 | V | 73.6 | Confident | 66.1 | Low | 22 Ų | 22 | 77.5 Ų | 77.5 | 13% | 0.133 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.1 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | A57 R58 V180 L218 | A57-V77 HydrophobicContact CB-CG1 3.68Å; R58-V77 WeakPolarHBondContact O-CA 3.13Å; V77-V180 PolarHBondContact N-O 2.98Å; V77-V180 PolarHBondContact O-N 3.13Å; V77-L218 HydrophobicContact CB-CD1 3.95Å; V77-L218 HydrophobicContact CG1-CD1 4.06Å; V77-L218 HydrophobicContact CG2-CD1 4.08Å |
| 78 | R | 73.9 | Confident | 65.3 | Low | 58 Ų | 58 | 78.6 Ų | 78.6 | 22% | 0.219 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 132.5 | 172.4 | 173.1 | 178.8 | 170.9 | 164.9 | -1 | 110 | A57 R58 V60 P177 I179 | A57-R78 VanDerWaalsContact CA-O 3.3Å; A57-R78 WeakPolarHBondContact CA-O 3.45Å; R58-R78 PolarHBondContact N-O 3.12Å; R58-R78 PolarHBondContact O-N 3.01Å; V60-R78 HydrophobicContact CB-CB 4.4Å; V60-R78 HydrophobicContact CG2-CB 3.49Å; V60-R78 VanDerWaalsContact CG2-CB 3.49Å; R78-P177 HydrophobicContact CG-CB 4.24Å; R78-I179 HydrophobicContact CB-CG1 4.33Å |
| 79 | I | 71.4 | Confident | 65.5 | Low | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.026 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.3 | 176.7 | -65.8 | 169.3 | 0 | 0 | 0 | 108 | L174 V178 V180 L218 T222 | I79-L174 HydrophobicContact CG2-CD2 3.94Å; I79-V178 PolarHBondContact N-O 3.12Å; I79-V178 PolarHBondContact O-N 3.42Å; I79-V178 VanDerWaalsContact O-N 3.13Å; I79-V180 HydrophobicContact CD1-CG2 3.82Å; I79-L218 HydrophobicContact CD1-CD2 4.43Å; I79-T222 HydrophobicContact CB-CG2 4.35Å; I79-T222 HydrophobicContact CD1-CG2 4.45Å; I79-T222 HydrophobicContact CG1-CG2 4.24Å; I79-T222 HydrophobicContact CG2-CG2 3.34Å |
| 80 | G | 62.6 | Low | 65.6 | Low | 18 Ų | 18 | 66.2 Ų | 66.2 | 19% | 0.186 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 174.1 | 174.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 81 | S | 52 | Low | 66.2 | Low | 96 Ų | 96 | 59.8 Ų | 59.8 | 67% | 0.671 | 37% | 0.373 | S | S | * | . | trans | -69 | 141.4 | 178.3 | -169.3 | 0 | 0 | 0 | 0 | 112 | A83 | S81-A83 PolarHBondContact O-N 3.03Š| ||
| 82 | E | 50.8 | Low | 66.5 | Low | 133 Ų | 133 | 63 Ų | 63 | 62% | 0.621 | 37% | 0.37 | S | S | * | . | trans | -76.4 | 40.1 | -175.3 | -154.2 | -171.4 | 178.8 | 0 | 0 | 113 | G53 R54 | G53-E82 WeakPolarHBondContact CA-OE2 3.42Å; R54-E82 PolarHBondContact N-OE2 2.89Å; R54-E82 WeakPolarHBondContact O-CB 3.21Å | ||
| 83 | A | 43.8 | Very low | 66.6 | Low | 69 Ų | 69 | 62.8 Ų | 62.8 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | trans | -97.7 | 104 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | S81 | S81-A83 PolarHBondContact O-N 3.03Š| ||
| 84 | D | 39.3 | Very low | 66.7 | Low | 144 Ų | 144 | 62.3 Ų | 62.3 | 77% | 0.77 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 69.6 | 151.5 | 166.1 | -64.4 | -42.8 | 0 | 0 | 0 | 118.1 | A86 | D84-A86 VanDerWaalsContact C-N 3.26Å; D84-A86 PolarHBondContact O-N 3.23Å |
| 85 | P | 44.9 | Very low | 66.6 | Low | 125 Ų | 125 | 62.6 Ų | 62.6 | 81% | 0.812 | 37% | 0.365 | S | S | * | . | trans | -60 | 95.2 | 167.8 | 26.8 | -33.6 | 0 | 0 | 0 | 107.6 | ||||
| 86 | A | 49.7 | Very low | 66.4 | Low | 37 Ų | 37 | 58.2 Ų | 58.2 | 31% | 0.306 | 35% | 0.345 | S | S | . | . | trans | -57.4 | 138.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | D84 | D84-A86 VanDerWaalsContact C-N 3.26Å; D84-A86 PolarHBondContact O-N 3.23Å | ||
| 87 | P | 55.2 | Low | 66.1 | Low | 105 Ų | 105 | 61 Ų | 61 | 68% | 0.682 | 36% | 0.358 | S | S | * | . | trans | -53.9 | 153.1 | 175.3 | 24 | -33.5 | 0 | 0 | 0 | 109.8 | L89 | P87-L89 PolarHBondContact O-N 2.95Š| ||
| 88 | L | 58.2 | Low | 65.7 | Low | 118 Ų | 118 | 62 Ų | 62 | 62% | 0.618 | 36% | 0.363 | S | S | * | . | trans | -44.3 | 105.1 | 170.3 | -74.8 | 152.8 | 0 | 0 | 0 | 108.5 | G90 E203 T205 | L88-G90 VanDerWaalsContact C-N 3.29Å; L88-G90 PolarHBondContact O-N 2.88Å; L88-E203 HydrophobicContact CD2-CG 4.22Å; L88-T205 HydrophobicContact CD2-CG2 3.95Å | ||
| 89 | L | 71.3 | Confident | 65.1 | Low | 26 Ų | 26 | 60 Ų | 60 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 92.7 | 177.4 | -66.8 | 164.7 | 0 | 0 | 0 | 105.1 | P87 A154 P177 I204 | P87-L89 PolarHBondContact O-N 2.95Å; L89-A154 HydrophobicContact CD1-CB 4.47Å; L89-P177 HydrophobicContact CD1-CB 4.39Å; L89-P177 HydrophobicContact CD1-CG 3.57Å; L89-I204 HydrophobicContact CB-CB 4.06Å; L89-I204 HydrophobicContact CB-CD1 3.61Å; L89-I204 HydrophobicContact CB-CG1 4.37Å; L89-I204 HydrophobicContact CD1-CD1 4.42Å; L89-I204 WeakPolarHBondContact O-CB 3.22Å; L89-I204 WeakPolarHBondContact O-CD1 3.49Å; L89-I204 WeakPolarHBondContact O-CG1 3.32Å; L89-I204 PolarHBondContact O-N 3.43Å |
| 90 | G | 74.8 | Confident | 64.6 | Low | 42 Ų | 42 | 62.7 Ų | 62.7 | 43% | 0.433 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L88 A202 | L88-G90 VanDerWaalsContact C-N 3.29Å; L88-G90 PolarHBondContact O-N 2.88Å; G90-A202 WeakPolarHBondContact CA-O 3.34Å |
| 91 | G | 84.5 | Confident | 64.5 | Low | 11 Ų | 11 | 65.8 Ų | 65.8 | 11% | 0.113 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171 | 166.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | G109 T201 A202 | G91-G109 CarbonylContact C-O 3.6Å; G91-G109 WeakPolarHBondContact CA-O 3.18Å; G91-T201 WeakPolarHBondContact O-CA 3.41Å; G91-A202 PolarHBondContact N-O 3.3Å; G91-A202 PolarHBondContact O-N 2.86Å |
| 92 | R | 86.1 | Confident | 64.7 | Low | 141 Ų | 141 | 66.4 Ų | 66.4 | 53% | 0.532 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.4 | 170.5 | -68.7 | -178.8 | 178.4 | -171.6 | 0.1 | 109.6 | G109 W110 I111 T201 | R92-G109 PolarHBondContact N-O 3.36Å; R92-W110 CarbonylContact O-C 3.58Å; R92-W110 WeakPolarHBondContact O-CA 3.28Å; R92-W110 WeakPolarHBondContact O-CB 3.17Å; R92-I111 PolarHBondContact O-N 3.27Å; R92-T201 HydrophobicContact CG-CG2 4.1Å |
| 93 | L | 86.3 | Confident | 64.9 | Low | 7 Ų | 7 | 68.7 Ų | 68.7 | 4% | 0.037 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 125.5 | 175.7 | -65.1 | -175.7 | 0 | 0 | 0 | 109.6 | V64 I111 V113 L156 L190 L194 A200 A202 | V64-L93 HydrophobicContact CG1-CD1 3.7Å; V64-L93 HydrophobicContact CG2-CD1 4.41Å; L93-I111 HydrophobicContact CD2-CB 3.88Å; L93-I111 HydrophobicContact CD2-CD1 4.35Å; L93-I111 HydrophobicContact CD2-CG2 3.95Å; L93-V113 HydrophobicContact CB-CG2 3.91Å; L93-V113 HydrophobicContact CD2-CG2 3.8Å; L93-V113 HydrophobicContact CG-CG2 4.29Å; L93-L156 HydrophobicContact CD2-CD2 4.21Å; L93-L190 HydrophobicContact CD1-CD1 3.96Å; L93-L190 HydrophobicContact CD1-CD2 4.23Å; L93-L194 HydrophobicContact CB-CD2 3.99Å; L93-A200 HydrophobicContact CB-CB 4.24Å; L93-A200 HydrophobicContact CD1-CB 3.94Å; L93-A200 HydrophobicContact CG-CB 4.39Å; L93-A200 PolarHBondContact N-O 2.98Å; L93-A202 HydrophobicContact CD1-CB 4.06Å; L93-A202 HydrophobicContact CD2-CB 3.53Å; L93-A202 HydrophobicContact CG-CB 3.85Å |
| 94 | L | 84.4 | Confident | 65.5 | Low | 49 Ų | 49 | 74 Ų | 74 | 26% | 0.257 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 129.7 | 175.4 | -65.2 | 177.8 | 0 | 0 | 0 | 110.6 | V99 P106 W110 I111 V113 | L94-V99 HydrophobicContact CB-CG2 3.98Å; L94-P106 HydrophobicContact CD1-CG 3.75Å; L94-W110 HydrophobicContact CB-CE3 4.04Å; L94-W110 HydrophobicContact CB-CZ3 4.33Å; L94-W110 HydrophobicContact CD1-CB 4.24Å; L94-W110 HydrophobicContact CD1-CD2 4.05Å; L94-W110 HydrophobicContact CD1-CE3 3.82Å; L94-W110 HydrophobicContact CD1-CG 4.25Å; L94-W110 HydrophobicContact CD1-CZ3 4.42Å; L94-W110 HydrophobicContact CG-CE3 4.31Å; L94-I111 PolarHBondContact N-O 2.85Å; L94-V113 PolarHBondContact O-N 3.38Å |
| 95 | L | 82.5 | Confident | 66.5 | Low | 7 Ų | 7 | 68.8 Ų | 68.8 | 4% | 0.037 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 133.7 | 176.7 | -141.7 | 73.7 | 0 | 0 | 0 | 109.7 | D97 I98 V99 V113 Y115 L191 L194 L195 | L95-D97 VanDerWaalsContact C-N 3.26Å; L95-D97 PolarHBondContact O-N 2.88Å; L95-I98 HydrophobicContact CB-CD1 3.94Å; L95-I98 HydrophobicContact CB-CG1 4.21Å; L95-I98 WeakPolarHBondContact O-CB 3.46Å; L95-I98 PolarHBondContact O-N 3.27Å; L95-V99 PolarHBondContact O-N 2.85Å; L95-V113 HydrophobicContact CD1-CB 4.15Å; L95-V113 HydrophobicContact CD1-CG1 3.96Å; L95-Y115 HydrophobicContact CD1-CD1 4.04Å; L95-Y115 HydrophobicContact CD1-CE1 4.41Å; L95-Y115 HydrophobicContact CD2-CD1 4.1Å; L95-Y115 HydrophobicContact CD2-CE1 3.63Å; L95-Y115 HydrophobicContact CG-CD1 4.12Å; L95-Y115 HydrophobicContact CG-CE1 4.05Å; L95-L191 HydrophobicContact CD1-CD1 4.47Å; L95-L194 HydrophobicContact CD1-CB 4Å; L95-L194 HydrophobicContact CD1-CD1 3.93Å; L95-L195 HydrophobicContact CD2-CD2 3.93Å |
| 96 | M | 74.6 | Confident | 67.3 | Low | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.02 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.5 | -34.7 | -175.4 | -66.5 | -179 | -176.8 | 0 | 0 | 113.5 | I98 V99 D100 A112 V113 A114 Q143 M144 L155 | M96-I98 PolarHBondContact O-N 3.18Å; M96-V99 PolarHBondContact O-N 3.48Å; M96-V99 VanDerWaalsContact O-N 3.09Å; M96-D100 PolarHBondContact O-N 3.2Å; M96-D100 VanDerWaalsContact O-N 3.08Å; M96-A112 HydrophobicContact CE-CB 3.85Å; M96-V113 WeakPolarHBondContact CG-O 3.42Å; M96-V113 PolarHBondContact N-O 2.85Å; M96-A114 HydrophobicContact CE-CB 3.52Å; M96-A114 HydrophobicContact CG-CB 4.35Å; M96-A114 HydrophobicContact SD-CB 3.4Å; M96-A114 WeakPolarHBondContact SD-CB 3.28Å; M96-Q143 HydrophobicContact CB-CG 4.17Å; M96-Q143 VanDerWaalsContact CB-NE2 3.28Å; M96-Q143 HydrophobicContact SD-CG 4.44Å; M96-M144 HydrophobicContact CE-CB 4.45Å; M96-M144 HydrophobicContact CE-CG 3.89Å; M96-M144 HydrophobicContact SD-CG 3.96Å; M96-L155 HydrophobicContact CE-CD2 3.24Å |
| 97 | D | 68.4 | Low | 67.8 | Low | 65 Ų | 65 | 70.2 Ų | 70.2 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.9 | -29.5 | 175.7 | -61.7 | -17.1 | 0 | 0 | 0 | 112.6 | L95 Y115 Q120 | L95-D97 VanDerWaalsContact C-N 3.26Å; L95-D97 PolarHBondContact O-N 2.88Å; D97-Y115 WeakPolarHBondContact OD2-CE1 3.1Å; D97-Y115 PolarHBondContact OD2-OH 3.19Å; D97-Q120 PolarHBondContact OD2-NE2 3.18Å |
| 98 | I | 65.3 | Low | 68.4 | Low | 43 Ų | 43 | 73.6 Ų | 73.6 | 22% | 0.221 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -83.6 | -36.3 | 178.3 | -57.4 | 171.9 | 0 | 0 | 0 | 110.2 | L95 M96 D100 A101 E102 | L95-I98 HydrophobicContact CB-CD1 3.94Å; L95-I98 HydrophobicContact CB-CG1 4.21Å; L95-I98 WeakPolarHBondContact O-CB 3.46Å; L95-I98 PolarHBondContact O-N 3.27Å; M96-I98 PolarHBondContact O-N 3.18Å; I98-D100 VanDerWaalsContact C-N 3.26Å; I98-D100 PolarHBondContact O-N 2.93Å; I98-A101 PolarHBondContact O-N 3.33Å; I98-A101 VanDerWaalsContact O-N 3.11Å; I98-E102 HydrophobicContact CG2-CG 4.23Å; I98-E102 PolarHBondContact O-N 3.47Å |
| 99 | V | 61.8 | Low | 69 | Low | 15 Ų | 15 | 69.8 Ų | 69.8 | 9% | 0.091 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.3 | -30.8 | 176.7 | 179 | 0 | 0 | 0 | 0 | 112 | L94 L95 M96 W110 L150 | L94-V99 HydrophobicContact CB-CG2 3.98Å; L95-V99 PolarHBondContact O-N 2.85Å; M96-V99 PolarHBondContact O-N 3.48Å; M96-V99 VanDerWaalsContact O-N 3.09Å; V99-W110 HydrophobicContact CG1-CH2 4.03Å; V99-W110 HydrophobicContact CG2-CH2 4.17Å; V99-W110 HydrophobicContact CG2-CZ3 3.91Å; V99-L150 HydrophobicContact CG1-CD1 3.69Å |
| 100 | D | 60.5 | Low | 69.7 | Low | 62 Ų | 62 | 68.6 Ų | 68.6 | 33% | 0.332 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -75.6 | -25.9 | 174.6 | -72.3 | -50.1 | 0 | 0 | 0 | 113.2 | M96 I98 Q143 R146 | M96-D100 PolarHBondContact O-N 3.2Å; M96-D100 VanDerWaalsContact O-N 3.08Å; I98-D100 VanDerWaalsContact C-N 3.26Å; I98-D100 PolarHBondContact O-N 2.93Å; D100-Q143 WeakPolarHBondContact OD2-CG 3.38Å; D100-Q143 PolarHBondContact OD2-NE2 3.28Å; D100-R146 IonicContact OD1-CZ 3.65Å; D100-R146 IonicContact OD1-NH1 2.74Å; D100-R146 PolarHBondContact OD1-NH1 3.41Å |
| 101 | A | 59.5 | Low | 70.3 | Confident | 82 Ų | 82 | 66.7 Ų | 66.7 | 68% | 0.678 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -89.1 | -36.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I98 | I98-A101 PolarHBondContact O-N 3.33Å; I98-A101 VanDerWaalsContact O-N 3.11Å |
| 102 | E | 57.7 | Low | 70.4 | Confident | 109 Ų | 109 | 66.1 Ų | 66.1 | 51% | 0.509 | 36% | 0.355 | S | S | . | . | trans | -102.2 | 100.9 | -179.1 | -64.3 | -177.3 | 173.2 | 0 | 0 | 108.6 | I98 E104 | I98-E102 HydrophobicContact CG2-CG 4.23Å; I98-E102 PolarHBondContact O-N 3.47Å; E102-E104 PolarHBondContact O-N 3.41Å | ||
| 103 | Q | 55 | Low | 70.4 | Confident | 182 Ų | 182 | 59.4 Ų | 59.4 | 85% | 0.85 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -69.3 | 7 | -173.5 | -140 | 149.8 | 27.2 | 0 | 0 | 114.3 | ||
| 104 | E | 54.6 | Low | 70.3 | Confident | 179 Ų | 179 | 59.2 Ų | 59.2 | 84% | 0.836 | 33% | 0.329 | S | S | * | . | trans | -116.4 | 90.5 | 179.8 | -72.2 | -179 | 165 | 0 | 0 | 110.4 | E102 | E102-E104 PolarHBondContact O-N 3.41Š| ||
| 105 | A | 60.3 | Low | 70.1 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 30% | 0.298 | 32% | 0.324 | S | S | . | . | trans | -75.8 | 138.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | W110 L150 | A105-W110 HydrophobicContact CB-CZ2 4.1Å; A105-L150 HydrophobicContact CB-CB 4.24Å | ||
| 106 | P | 63.5 | Low | 69.6 | Low | 48 Ų | 48 | 58.9 Ų | 58.9 | 31% | 0.312 | 33% | 0.325 | S | S | . | . | trans | -65.6 | 143.9 | 179.8 | 23.8 | -30.7 | 0 | 0 | 0 | 112.1 | L94 E108 W110 | L94-P106 HydrophobicContact CD1-CG 3.75Å; P106-E108 VanDerWaalsContact C-N 3.35Å; P106-E108 PolarHBondContact O-N 3.07Å; P106-W110 HydrophobicContact CG-CB 4.07Å; P106-W110 HydrophobicContact CG-CG 3.98Å; P106-W110 VanDerWaalsContact O-CD1 3.27Å; P106-W110 PolarHBondContact O-NE1 2.92Å | ||
| 107 | V | 59 | Low | 69.1 | Low | 144 Ų | 144 | 59.2 Ų | 59.2 | 87% | 0.873 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -71.4 | -23.2 | -165.2 | -167.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 108 | E | 67.2 | Low | 68.3 | Low | 176 Ų | 176 | 64.5 Ų | 64.5 | 82% | 0.822 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -139.9 | 131.7 | -178.3 | -64.1 | -173 | 173.3 | 0 | 0 | 113.8 | P106 | P106-E108 VanDerWaalsContact C-N 3.35Å; P106-E108 PolarHBondContact O-N 3.07Å |
| 109 | G | 72.6 | Confident | 67.7 | Low | 37 Ų | 37 | 70.3 Ų | 70.3 | 38% | 0.381 | 38% | 0.375 | S | S | . | . | trans | 62.3 | 55.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G91 R92 | G91-G109 CarbonylContact C-O 3.6Å; G91-G109 WeakPolarHBondContact CA-O 3.18Å; R92-G109 PolarHBondContact N-O 3.36Å | ||
| 110 | W | 85.1 | Confident | 67.2 | Low | 2 Ų | 2 | 70.5 Ų | 70.5 | 1% | 0.008 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 155.6 | 170.5 | 65.4 | -83.1 | 0 | 0 | 0 | 111.7 | R92 L94 V99 A105 P106 A112 A147 L150 A152 S153 | R92-W110 CarbonylContact O-C 3.58Å; R92-W110 WeakPolarHBondContact O-CA 3.28Å; R92-W110 WeakPolarHBondContact O-CB 3.17Å; L94-W110 HydrophobicContact CB-CE3 4.04Å; L94-W110 HydrophobicContact CB-CZ3 4.33Å; L94-W110 HydrophobicContact CD1-CB 4.24Å; L94-W110 HydrophobicContact CD1-CD2 4.05Å; L94-W110 HydrophobicContact CD1-CE3 3.82Å; L94-W110 HydrophobicContact CD1-CG 4.25Å; L94-W110 HydrophobicContact CD1-CZ3 4.42Å; L94-W110 HydrophobicContact CG-CE3 4.31Å; V99-W110 HydrophobicContact CG1-CH2 4.03Å; V99-W110 HydrophobicContact CG2-CH2 4.17Å; V99-W110 HydrophobicContact CG2-CZ3 3.91Å; A105-W110 HydrophobicContact CB-CZ2 4.1Å; P106-W110 HydrophobicContact CG-CB 4.07Å; P106-W110 HydrophobicContact CG-CG 3.98Å; P106-W110 VanDerWaalsContact O-CD1 3.27Å; P106-W110 PolarHBondContact O-NE1 2.92Å; W110-A112 HydrophobicContact CE3-CB 4.2Å; W110-A112 HydrophobicContact CH2-CB 4.27Å; W110-A112 HydrophobicContact CZ3-CB 3.56Å; W110-A147 HydrophobicContact CH2-CB 4.04Å; W110-L150 HydrophobicContact CH2-CB 4.42Å; W110-L150 HydrophobicContact CZ2-CB 3.82Å; W110-A152 HydrophobicContact CD2-CB 4.1Å; W110-A152 HydrophobicContact CE3-CB 4.02Å; W110-A152 HydrophobicContact CH2-CB 3.74Å; W110-A152 HydrophobicContact CZ2-CB 3.78Å; W110-A152 HydrophobicContact CZ3-CB 3.87Å; W110-A152 CarbonylContact O-C 3.57Å; W110-S153 PolarHBondContact O-N 3.02Å; W110-S153 PolarHBondContact O-OG 3.49Å |
| 111 | I | 87.1 | Confident | 66.7 | Low | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.5 | -180 | -62.2 | 165 | 0 | 0 | 0 | 107.2 | R92 L93 L94 A154 L156 A202 I204 | R92-I111 PolarHBondContact O-N 3.27Å; L93-I111 HydrophobicContact CD2-CB 3.88Å; L93-I111 HydrophobicContact CD2-CD1 4.35Å; L93-I111 HydrophobicContact CD2-CG2 3.95Å; L94-I111 PolarHBondContact N-O 2.85Å; I111-A154 HydrophobicContact CG1-CB 4.34Å; I111-A154 HydrophobicContact CG2-CB 4.28Å; I111-L156 HydrophobicContact CG2-CB 4Å; I111-A202 HydrophobicContact CD1-CB 4.17Å; I111-I204 HydrophobicContact CD1-CD1 3.68Å; I111-I204 HydrophobicContact CD1-CG1 4.48Å |
| 112 | A | 86.5 | Confident | 66 | Low | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 124.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110 | M96 W110 A147 A152 A154 L155 L156 | M96-A112 HydrophobicContact CE-CB 3.85Å; W110-A112 HydrophobicContact CE3-CB 4.2Å; W110-A112 HydrophobicContact CH2-CB 4.27Å; W110-A112 HydrophobicContact CZ3-CB 3.56Å; A112-A147 HydrophobicContact CB-CB 3.77Å; A112-A152 HydrophobicContact CB-CB 3.91Å; A112-A154 PolarHBondContact N-O 2.94Å; A112-L155 HydrophobicContact CB-CD2 3.7Å; A112-L155 CarbonylContact O-C 3.58Å; A112-L155 WeakPolarHBondContact O-CA 3.27Å; A112-L156 PolarHBondContact O-N 3.5Å |
| 113 | V | 87.5 | Confident | 65.5 | Low | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 115.5 | -178.9 | -175 | 0 | 0 | 0 | 0 | 109.7 | L93 L94 L95 M96 L156 L158 L194 | L93-V113 HydrophobicContact CB-CG2 3.91Å; L93-V113 HydrophobicContact CD2-CG2 3.8Å; L93-V113 HydrophobicContact CG-CG2 4.29Å; L94-V113 PolarHBondContact O-N 3.38Å; L95-V113 HydrophobicContact CD1-CB 4.15Å; L95-V113 HydrophobicContact CD1-CG1 3.96Å; M96-V113 WeakPolarHBondContact CG-O 3.42Å; M96-V113 PolarHBondContact N-O 2.85Å; V113-L156 WeakPolarHBondContact CA-O 3.38Å; V113-L156 HydrophobicContact CG1-CD2 4.43Å; V113-L156 HydrophobicContact CG2-CB 4.2Å; V113-L156 HydrophobicContact CG2-CD2 4.04Å; V113-L158 HydrophobicContact CG1-CD1 3.31Å; V113-L158 HydrophobicContact CG1-CG 4.03Å; V113-L194 HydrophobicContact CB-CD1 4.33Å; V113-L194 HydrophobicContact CG1-CD1 3.91Å; V113-L194 HydrophobicContact CG2-CD1 4.24Å |
| 114 | A | 83.8 | Confident | 65.1 | Low | 3 Ų | 3 | 66.1 Ų | 66.1 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | M96 L156 L157 L158 | M96-A114 HydrophobicContact CE-CB 3.52Å; M96-A114 HydrophobicContact CG-CB 4.35Å; M96-A114 HydrophobicContact SD-CB 3.4Å; M96-A114 WeakPolarHBondContact SD-CB 3.28Å; A114-L156 PolarHBondContact N-O 3.4Å; A114-L157 HydrophobicContact CB-CD2 3.65Å; A114-L157 WeakPolarHBondContact O-CA 3.44Å; A114-L158 PolarHBondContact O-N 3.17Å |
| 115 | Y | 80.4 | Confident | 64.8 | Low | 39 Ų | 39 | 62.7 Ų | 62.7 | 15% | 0.153 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 146.6 | 168.4 | 68.7 | -78.2 | 0 | 0 | 0 | 109.2 | L95 D97 Q120 L191 | L95-Y115 HydrophobicContact CD1-CD1 4.04Å; L95-Y115 HydrophobicContact CD1-CE1 4.41Å; L95-Y115 HydrophobicContact CD2-CD1 4.1Å; L95-Y115 HydrophobicContact CD2-CE1 3.63Å; L95-Y115 HydrophobicContact CG-CD1 4.12Å; L95-Y115 HydrophobicContact CG-CE1 4.05Å; D97-Y115 WeakPolarHBondContact OD2-CE1 3.1Å; D97-Y115 PolarHBondContact OD2-OH 3.19Å; Y115-Q120 VanDerWaalsContact CE1-NE2 3.34Å; Y115-Q120 HydrophobicContact CE2-CG 4Å; Y115-Q120 VanDerWaalsContact CE2-NE2 3.27Å; Y115-Q120 PolarHBondContact O-OE1 3.21Å; Y115-Q120 VanDerWaalsContact O-OE1 3.11Å; Y115-Q120 PolarHBondContact OH-NE2 2.82Å; Y115-L191 HydrophobicContact CD1-CD1 3.91Å; Y115-L191 HydrophobicContact CD2-CD1 4.14Å; Y115-L191 HydrophobicContact CD2-CD2 4.27Å; Y115-L191 HydrophobicContact CG-CD1 3.69Å; Y115-L191 HydrophobicContact CG-CD2 4.46Å |
| 116 | V | 72 | Confident | 64.1 | Low | 9 Ų | 9 | 68.9 Ų | 68.9 | 6% | 0.055 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 92.6 | -179 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | L140 L158 L160 V164 | V116-L140 HydrophobicContact CG2-CD2 3.81Å; V116-L158 PolarHBondContact N-O 2.91Å; V116-L158 VanDerWaalsContact N-O 3.11Å; V116-L160 WeakPolarHBondContact O-CB 3.27Å; V116-L160 PolarHBondContact O-N 2.89Å; V116-V164 HydrophobicContact CG1-CB 3.56Å; V116-V164 HydrophobicContact CG1-CG1 3.48Å; V116-V164 VanDerWaalsContact CG1-CG1 3.48Å; V116-V164 HydrophobicContact CG1-CG2 3.72Å |
| 117 | G | 63.4 | Low | 63.2 | Low | 11 Ų | 11 | 74.7 Ų | 74.7 | 11% | 0.113 | 38% | 0.38 | C | S | . | . | trans | -109.7 | 169 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E119 | G117-E119 VanDerWaalsContact C-N 3.34Š| ||
| 118 | K | 51.1 | Low | 62.6 | Low | 177 Ų | 177 | 72.1 Ų | 72.1 | 77% | 0.77 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.9 | -27.8 | 177.9 | -74.8 | -178.3 | 176.7 | 176.6 | 0 | 113.5 | ||
| 119 | E | 52.3 | Low | 61.3 | Low | 165 Ų | 165 | 73.9 Ų | 73.9 | 77% | 0.771 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -75 | -35.1 | -175.5 | -84.8 | 167.5 | 148.6 | 0 | 0 | 114 | G117 V121 A122 Q123 | G117-E119 VanDerWaalsContact C-N 3.34Å; E119-V121 VanDerWaalsContact C-N 3.29Å; E119-V121 PolarHBondContact O-N 3.38Å; E119-A122 WeakPolarHBondContact O-CB 3.36Å; E119-A122 PolarHBondContact O-N 2.74Å; E119-Q123 PolarHBondContact O-N 3.33Å; E119-Q123 VanDerWaalsContact O-N 3.11Å |
| 120 | Q | 51.9 | Low | 59.8 | Low | 19 Ų | 19 | 75.5 Ų | 75.5 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.2 | -31.1 | 178.1 | -71 | -177.1 | -31.2 | 0 | 0 | 112.6 | D97 Y115 A122 Q123 F124 Y136 | D97-Q120 PolarHBondContact OD2-NE2 3.18Å; Y115-Q120 VanDerWaalsContact CE1-NE2 3.34Å; Y115-Q120 HydrophobicContact CE2-CG 4Å; Y115-Q120 VanDerWaalsContact CE2-NE2 3.27Å; Y115-Q120 PolarHBondContact O-OE1 3.21Å; Y115-Q120 VanDerWaalsContact O-OE1 3.11Å; Y115-Q120 PolarHBondContact OH-NE2 2.82Å; Q120-A122 PolarHBondContact O-N 2.78Å; Q120-Q123 PolarHBondContact O-N 3.02Å; Q120-F124 PolarHBondContact O-N 3.47Å; Q120-F124 VanDerWaalsContact O-N 3.12Å; Q120-Y136 HydrophobicContact CB-CE2 4.24Å; Q120-Y136 PolarHBondContact OE1-OH 2.84Å |
| 121 | V | 49.7 | Very low | 57.8 | Low | 48 Ų | 48 | 77.8 Ų | 77.8 | 29% | 0.291 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 171.9 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | E119 H125 Y136 | E119-V121 VanDerWaalsContact C-N 3.29Å; E119-V121 PolarHBondContact O-N 3.38Å; V121-H125 WeakPolarHBondContact O-CB 3.4Å; V121-H125 PolarHBondContact O-CD2 3.24Å; V121-H125 VanDerWaalsContact O-CG 3.29Å; V121-H125 PolarHBondContact O-N 3.35Å; V121-Y136 HydrophobicContact CG2-CE1 4.23Å; V121-Y136 HydrophobicContact CG2-CE2 4.31Å |
| 122 | A | 44.7 | Very low | 55.7 | Low | 60 Ų | 60 | 80.1 Ų | 80.1 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -73.9 | -39.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E119 Q120 H125 | E119-A122 WeakPolarHBondContact O-CB 3.36Å; E119-A122 PolarHBondContact O-N 2.74Å; Q120-A122 PolarHBondContact O-N 2.78Å; A122-H125 PolarHBondContact O-N 3.4Å |
| 123 | Q | 48.7 | Very low | 54 | Low | 140 Ų | 140 | 85.5 Ų | 85.5 | 65% | 0.654 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.9 | -39.3 | 178.2 | -81.5 | 171.6 | -31.9 | 0 | 0 | 112.7 | E119 Q120 H125 Q126 | E119-Q123 PolarHBondContact O-N 3.33Å; E119-Q123 VanDerWaalsContact O-N 3.11Å; Q120-Q123 PolarHBondContact O-N 3.02Å; Q123-H125 VanDerWaalsContact C-N 3.33Å; Q123-H125 PolarHBondContact O-N 3.07Å; Q123-Q126 PolarHBondContact O-N 2.89Å |
| 124 | F | 46.1 | Very low | 52.1 | Low | 95 Ų | 95 | 90.8 Ų | 90.8 | 42% | 0.417 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.6 | -29.2 | 174.3 | -95 | -86.3 | 0 | 0 | 0 | 113.4 | Q120 Q126 N128 Y136 | Q120-F124 PolarHBondContact O-N 3.47Å; Q120-F124 VanDerWaalsContact O-N 3.12Å; F124-Q126 PolarHBondContact O-N 3.38Å; F124-N128 PolarHBondContact O-N 3.07Å; F124-Y136 HydrophobicContact CB-CD2 4.25Å; F124-Y136 HydrophobicContact CD2-CD2 4.44Å; F124-Y136 HydrophobicContact CD2-CE2 4.24Å; F124-Y136 HydrophobicContact CG-CD2 4.37Å |
| 125 | H | 47.3 | Very low | 50.7 | Low | 107 Ų | 107 | 92.2 Ų | 92.2 | 50% | 0.495 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.6 | -21.2 | 173.1 | -82.2 | -52.1 | 0 | 0 | 0 | 113.2 | V121 A122 Q123 | V121-H125 WeakPolarHBondContact O-CB 3.4Å; V121-H125 PolarHBondContact O-CD2 3.24Å; V121-H125 VanDerWaalsContact O-CG 3.29Å; V121-H125 PolarHBondContact O-N 3.35Å; A122-H125 PolarHBondContact O-N 3.4Å; Q123-H125 VanDerWaalsContact C-N 3.33Å; Q123-H125 PolarHBondContact O-N 3.07Å |
| 126 | Q | 45.7 | Very low | 49.8 | Very low | 165 Ų | 165 | 92.1 Ų | 92.1 | 77% | 0.771 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -82.9 | -39 | 179.2 | -159.6 | 100.6 | 8.6 | 0 | 0 | 112.4 | Q123 F124 | Q123-Q126 PolarHBondContact O-N 2.89Å; F124-Q126 PolarHBondContact O-N 3.38Å |
| 127 | E | 45.7 | Very low | 49.3 | Very low | 170 Ų | 170 | 92.5 Ų | 92.5 | 79% | 0.794 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -75.9 | -29.9 | -179.9 | -92.2 | -175.2 | 130.8 | 0 | 0 | 113.3 | ||
| 128 | N | 45.7 | Very low | 49.4 | Very low | 90 Ų | 90 | 99.2 Ų | 99.2 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | trans | -114 | 72.1 | -172.9 | -144.8 | -4.5 | 0 | 0 | 0 | 111.9 | F124 G130 S131 | F124-N128 PolarHBondContact O-N 3.07Å; N128-G130 PolarHBondContact O-N 3.49Å; N128-S131 PolarHBondContact ND2-OG 3.34Å | ||
| 129 | K | 40.8 | Very low | 50.3 | Low | 213 Ų | 213 | 92.7 Ų | 92.7 | 93% | 0.926 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 22.1 | 178.2 | -118.8 | -179.5 | -174.2 | 179 | 0 | 114.9 | ||
| 130 | G | 40.9 | Very low | 51.3 | Low | 72 Ų | 72 | 85.4 Ų | 85.4 | 74% | 0.742 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.6 | -3.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | N128 | N128-G130 PolarHBondContact O-N 3.49Š|
| 131 | S | 42.2 | Very low | 52.3 | Low | 49 Ų | 49 | 85.7 Ų | 85.7 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | trans | -134.6 | 123.7 | 179.7 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | N128 A135 | N128-S131 PolarHBondContact ND2-OG 3.34Å; S131-A135 VanDerWaalsContact OG-CB 3.24Å; S131-A135 WeakPolarHBondContact OG-CB 3.5Å | ||
| 132 | G | 43.4 | Very low | 53.5 | Low | 51 Ų | 51 | 90.3 Ų | 90.3 | 53% | 0.526 | 49% | 0.491 | S | S | . | . | trans | -59.2 | -175 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q134 A135 | G132-Q134 PolarHBondContact O-N 3.47Å; G132-A135 PolarHBondContact O-N 3.09Å | ||
| 133 | P | 50 | Low | 55.1 | Low | 113 Ų | 113 | 89 Ų | 89 | 73% | 0.734 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 3.3 | -168.7 | 20.9 | -32.4 | 0 | 0 | 0 | 116.9 | ||
| 134 | Q | 48.8 | Very low | 56.4 | Low | 110 Ų | 110 | 82.3 Ų | 82.3 | 51% | 0.514 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -1.3 | 179.4 | -64.7 | -170.6 | 18.2 | 0 | 0 | 115.1 | G132 | G132-Q134 PolarHBondContact O-N 3.47Š|
| 135 | A | 54.1 | Low | 58 | Low | 34 Ų | 34 | 84.4 Ų | 84.4 | 28% | 0.281 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -81.6 | -33.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S131 G132 K138 A139 | S131-A135 VanDerWaalsContact OG-CB 3.24Å; S131-A135 WeakPolarHBondContact OG-CB 3.5Å; G132-A135 PolarHBondContact O-N 3.09Å; A135-K138 PolarHBondContact O-N 2.63Å; A135-A139 PolarHBondContact O-N 3.07Å |
| 136 | Y | 60.7 | Low | 59.5 | Low | 36 Ų | 36 | 84.5 Ų | 84.5 | 14% | 0.141 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -57.7 | -50 | -179.5 | -176.6 | -94.8 | 0 | 0 | 0 | 114.5 | Q120 V121 F124 K138 A139 L140 V164 | Q120-Y136 HydrophobicContact CB-CE2 4.24Å; Q120-Y136 PolarHBondContact OE1-OH 2.84Å; V121-Y136 HydrophobicContact CG2-CE1 4.23Å; V121-Y136 HydrophobicContact CG2-CE2 4.31Å; F124-Y136 HydrophobicContact CB-CD2 4.25Å; F124-Y136 HydrophobicContact CD2-CD2 4.44Å; F124-Y136 HydrophobicContact CD2-CE2 4.24Å; F124-Y136 HydrophobicContact CG-CD2 4.37Å; Y136-K138 VanDerWaalsContact C-N 3.27Å; Y136-K138 PolarHBondContact O-N 3.39Å; Y136-A139 PolarHBondContact O-N 2.99Å; Y136-L140 PolarHBondContact O-N 3.46Å; Y136-V164 HydrophobicContact CE1-CG1 4.3Å |
| 137 | P | 62.7 | Low | 61.1 | Low | 18 Ų | 18 | 76.8 Ų | 76.8 | 12% | 0.117 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.7 | -29.4 | -178.9 | 23.3 | -33 | 0 | 0 | 0 | 112.9 | V141 L168 | P137-V141 VanDerWaalsContact O-CG2 3.31Å; P137-V141 WeakPolarHBondContact O-CG2 3.5Å; P137-V141 PolarHBondContact O-N 2.92Å; P137-L168 HydrophobicContact CB-CD1 4.44Å |
| 138 | K | 65.1 | Low | 62.6 | Low | 152 Ų | 152 | 69.6 Ų | 69.6 | 66% | 0.661 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72.4 | -40.7 | 178.3 | -67.8 | -174.7 | 177.8 | -177.7 | 0 | 112.4 | A135 Y136 L140 Q142 | A135-K138 PolarHBondContact O-N 2.63Å; Y136-K138 VanDerWaalsContact C-N 3.27Å; Y136-K138 PolarHBondContact O-N 3.39Å; K138-L140 VanDerWaalsContact C-N 3.35Å; K138-Q142 WeakPolarHBondContact O-CB 3.27Å; K138-Q142 PolarHBondContact O-N 2.87Å; K138-Q142 VanDerWaalsContact O-N 3.09Å |
| 139 | A | 69.4 | Low | 64.1 | Low | 40 Ų | 40 | 72.6 Ų | 72.6 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A135 Y136 Q142 Q143 | A135-A139 PolarHBondContact O-N 3.07Å; Y136-A139 PolarHBondContact O-N 2.99Å; A139-Q142 WeakPolarHBondContact O-CB 3.5Å; A139-Q142 PolarHBondContact O-N 2.91Å; A139-Q143 PolarHBondContact O-N 3.39Å |
| 140 | L | 73.1 | Confident | 65.9 | Low | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.3 | -46.6 | 177.8 | -173.1 | 67.2 | 0 | 0 | 0 | 112.1 | V116 Y136 K138 Q142 Q143 M144 L168 | V116-L140 HydrophobicContact CG2-CD2 3.81Å; Y136-L140 PolarHBondContact O-N 3.46Å; K138-L140 VanDerWaalsContact C-N 3.35Å; L140-Q142 VanDerWaalsContact C-N 3.27Å; L140-Q142 PolarHBondContact O-N 3.07Å; L140-Q143 WeakPolarHBondContact O-CB 3.37Å; L140-Q143 PolarHBondContact O-N 3.27Å; L140-M144 HydrophobicContact CG-SD 4.28Å; L140-M144 VanDerWaalsContact O-CG 3.22Å; L140-M144 WeakPolarHBondContact O-CG 3.48Å; L140-M144 PolarHBondContact O-N 2.94Å; L140-L168 HydrophobicContact CD2-CD1 3.91Å; L140-L168 HydrophobicContact CD2-CD2 4.49Å; L140-L168 HydrophobicContact CG-CD1 4.46Å |
| 141 | V | 73.8 | Confident | 67.6 | Low | 25 Ų | 25 | 64.3 Ų | 64.3 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | P137 M144 R145 L168 L173 | P137-V141 VanDerWaalsContact O-CG2 3.31Å; P137-V141 WeakPolarHBondContact O-CG2 3.5Å; P137-V141 PolarHBondContact O-N 2.92Å; V141-M144 PolarHBondContact O-N 3.13Å; V141-R145 WeakPolarHBondContact O-CB 3.39Å; V141-R145 PolarHBondContact O-N 3.44Å; V141-L168 HydrophobicContact CG2-CD1 3.56Å; V141-L168 HydrophobicContact CG2-CG 3.85Å; V141-L173 HydrophobicContact CG1-CD2 4.47Å |
| 142 | Q | 74.6 | Confident | 69.5 | Low | 145 Ų | 145 | 62 Ų | 62 | 68% | 0.678 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.2 | -40.2 | 177.6 | -173.2 | 174 | -17.7 | 0 | 0 | 112 | K138 A139 L140 R145 R146 | K138-Q142 WeakPolarHBondContact O-CB 3.27Å; K138-Q142 PolarHBondContact O-N 2.87Å; K138-Q142 VanDerWaalsContact O-N 3.09Å; A139-Q142 WeakPolarHBondContact O-CB 3.5Å; A139-Q142 PolarHBondContact O-N 2.91Å; L140-Q142 VanDerWaalsContact C-N 3.27Å; L140-Q142 PolarHBondContact O-N 3.07Å; Q142-R145 PolarHBondContact O-N 2.91Å; Q142-R146 PolarHBondContact O-N 2.95Å |
| 143 | Q | 77.6 | Confident | 71.2 | Confident | 33 Ų | 33 | 60.9 Ų | 60.9 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.7 | -44.3 | 175.7 | -164.8 | 178.9 | -2.9 | 0 | 0 | 111.6 | M96 D100 A139 L140 R145 R146 A147 | M96-Q143 HydrophobicContact CB-CG 4.17Å; M96-Q143 VanDerWaalsContact CB-NE2 3.28Å; M96-Q143 HydrophobicContact SD-CG 4.44Å; D100-Q143 WeakPolarHBondContact OD2-CG 3.38Å; D100-Q143 PolarHBondContact OD2-NE2 3.28Å; A139-Q143 PolarHBondContact O-N 3.39Å; L140-Q143 WeakPolarHBondContact O-CB 3.37Å; L140-Q143 PolarHBondContact O-N 3.27Å; Q143-R145 VanDerWaalsContact C-N 3.34Å; Q143-R145 PolarHBondContact O-N 3.49Å; Q143-R146 WeakPolarHBondContact O-CB 3.45Å; Q143-R146 PolarHBondContact O-N 2.91Å; Q143-A147 PolarHBondContact O-N 2.93Å |
| 144 | M | 77.9 | Confident | 72.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -43.5 | 174.2 | -66.7 | 173 | 75.5 | 0 | 0 | 111.8 | M96 L140 V141 R146 A147 L148 L155 L157 L168 L173 | M96-M144 HydrophobicContact CE-CB 4.45Å; M96-M144 HydrophobicContact CE-CG 3.89Å; M96-M144 HydrophobicContact SD-CG 3.96Å; L140-M144 HydrophobicContact CG-SD 4.28Å; L140-M144 VanDerWaalsContact O-CG 3.22Å; L140-M144 WeakPolarHBondContact O-CG 3.48Å; L140-M144 PolarHBondContact O-N 2.94Å; V141-M144 PolarHBondContact O-N 3.13Å; M144-R146 VanDerWaalsContact C-N 3.35Å; M144-R146 PolarHBondContact O-N 3.43Å; M144-A147 PolarHBondContact O-N 3.34Å; M144-L148 WeakPolarHBondContact O-CG 3.37Å; M144-L148 PolarHBondContact O-N 3.09Å; M144-L148 VanDerWaalsContact O-N 3.13Å; M144-L155 HydrophobicContact CB-CD1 4.4Å; M144-L155 HydrophobicContact CB-CD2 4.44Å; M144-L155 HydrophobicContact CE-CD1 4.1Å; M144-L157 HydrophobicContact CE-CD1 3.88Å; M144-L157 HydrophobicContact CE-CD2 3.56Å; M144-L157 HydrophobicContact CE-CG 4Å; M144-L157 HydrophobicContact SD-CD2 4.16Å; M144-L168 HydrophobicContact CE-CD2 4.45Å; M144-L168 HydrophobicContact SD-CD2 3.94Å; M144-L173 HydrophobicContact CB-CD1 4.06Å; M144-L173 HydrophobicContact CB-CD2 4.38Å; M144-L173 HydrophobicContact CE-CD1 3.61Å; M144-L173 HydrophobicContact SD-CD1 3.99Å |
| 145 | R | 78.7 | Confident | 74.4 | Confident | 139 Ų | 139 | 50.2 Ų | 50.2 | 53% | 0.525 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 176.6 | -173 | 177.6 | -176.6 | -177.6 | -1.8 | 111.7 | V141 Q142 Q143 L148 F149 L173 | V141-R145 WeakPolarHBondContact O-CB 3.39Å; V141-R145 PolarHBondContact O-N 3.44Å; Q142-R145 PolarHBondContact O-N 2.91Å; Q143-R145 VanDerWaalsContact C-N 3.34Å; Q143-R145 PolarHBondContact O-N 3.49Å; R145-L148 PolarHBondContact O-N 3.41Å; R145-F149 HydrophobicContact CG-CD2 3.85Å; R145-F149 HydrophobicContact CG-CE2 3.58Å; R145-F149 WeakPolarHBondContact O-CD2 3.31Å; R145-F149 PolarHBondContact O-N 2.97Å; R145-L173 HydrophobicContact CB-CD2 4.06Å |
| 146 | R | 78.4 | Confident | 75.9 | Confident | 108 Ų | 108 | 48.7 Ų | 48.7 | 41% | 0.408 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 176.1 | -171.5 | -177.8 | -176.1 | -168.7 | 1.8 | 111.4 | D100 Q142 Q143 M144 L148 F149 L150 | D100-R146 IonicContact OD1-CZ 3.65Å; D100-R146 IonicContact OD1-NH1 2.74Å; D100-R146 PolarHBondContact OD1-NH1 3.41Å; Q142-R146 PolarHBondContact O-N 2.95Å; Q143-R146 WeakPolarHBondContact O-CB 3.45Å; Q143-R146 PolarHBondContact O-N 2.91Å; M144-R146 VanDerWaalsContact C-N 3.35Å; M144-R146 PolarHBondContact O-N 3.43Å; R146-L148 VanDerWaalsContact C-N 3.31Å; R146-L148 PolarHBondContact O-N 3.38Å; R146-F149 WeakPolarHBondContact O-CB 3.41Å; R146-F149 PolarHBondContact O-N 3.4Å; R146-F149 VanDerWaalsContact O-N 3.12Å; R146-L150 HydrophobicContact CG-CD1 4.26Å; R146-L150 WeakPolarHBondContact O-CG 3.44Å; R146-L150 PolarHBondContact O-N 2.88Å |
| 147 | A | 79.3 | Confident | 76.9 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | W110 A112 Q143 M144 L150 A152 L155 | W110-A147 HydrophobicContact CH2-CB 4.04Å; A112-A147 HydrophobicContact CB-CB 3.77Å; Q143-A147 PolarHBondContact O-N 2.93Å; M144-A147 PolarHBondContact O-N 3.34Å; A147-L150 PolarHBondContact O-N 2.94Å; A147-A152 VanDerWaalsContact O-CB 3.24Å; A147-A152 WeakPolarHBondContact O-CB 3.3Å; A147-A152 PolarHBondContact O-N 3.31Å; A147-L155 HydrophobicContact CB-CD2 4.5Å |
| 148 | L | 78.3 | Confident | 77.9 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 173 | -69.3 | 176.9 | 0 | 0 | 0 | 112.3 | M144 R145 R146 L150 G151 L155 L173 R176 | M144-L148 WeakPolarHBondContact O-CG 3.37Å; M144-L148 PolarHBondContact O-N 3.09Å; M144-L148 VanDerWaalsContact O-N 3.13Å; R145-L148 PolarHBondContact O-N 3.41Å; R146-L148 VanDerWaalsContact C-N 3.31Å; R146-L148 PolarHBondContact O-N 3.38Å; L148-L150 VanDerWaalsContact C-N 3.26Å; L148-L150 PolarHBondContact O-N 3Å; L148-G151 PolarHBondContact O-N 2.84Å; L148-G151 VanDerWaalsContact O-N 3.13Å; L148-L155 HydrophobicContact CD1-CD1 3.6Å; L148-L155 HydrophobicContact CD2-CD1 3.7Å; L148-L155 HydrophobicContact CD2-CD2 4.46Å; L148-L155 HydrophobicContact CD2-CG 3.75Å; L148-L155 HydrophobicContact CG-CD1 3.63Å; L148-L155 HydrophobicContact CG-CD2 4.46Å; L148-L155 HydrophobicContact CG-CG 4.07Å; L148-L173 HydrophobicContact CD1-CB 4.38Å; L148-L173 HydrophobicContact CD1-CD2 4.21Å; L148-R176 HydrophobicContact CD2-CB 3.72Å; L148-R176 HydrophobicContact CD2-CG 4.19Å; L148-R176 PolarHBondContact O-NH1 3Å |
| 149 | F | 77.2 | Confident | 78.2 | Confident | 153 Ų | 153 | 39.8 Ų | 39.8 | 67% | 0.671 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -61.8 | -33.5 | 175.1 | -83.3 | -63.9 | 0 | 0 | 0 | 113 | R145 R146 G151 | R145-F149 HydrophobicContact CG-CD2 3.85Å; R145-F149 HydrophobicContact CG-CE2 3.58Å; R145-F149 WeakPolarHBondContact O-CD2 3.31Å; R145-F149 PolarHBondContact O-N 2.97Å; R146-F149 WeakPolarHBondContact O-CB 3.41Å; R146-F149 PolarHBondContact O-N 3.4Å; R146-F149 VanDerWaalsContact O-N 3.12Å; F149-G151 PolarHBondContact O-N 3.45Å |
| 150 | L | 78.6 | Confident | 78.1 | Confident | 74 Ų | 74 | 40.7 Ų | 40.7 | 39% | 0.387 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 7.2 | 176.3 | -67.6 | 172.1 | 0 | 0 | 0 | 114 | V99 A105 W110 R146 A147 L148 | V99-L150 HydrophobicContact CG1-CD1 3.69Å; A105-L150 HydrophobicContact CB-CB 4.24Å; W110-L150 HydrophobicContact CH2-CB 4.42Å; W110-L150 HydrophobicContact CZ2-CB 3.82Å; R146-L150 HydrophobicContact CG-CD1 4.26Å; R146-L150 WeakPolarHBondContact O-CG 3.44Å; R146-L150 PolarHBondContact O-N 2.88Å; A147-L150 PolarHBondContact O-N 2.94Å; L148-L150 VanDerWaalsContact C-N 3.26Å; L148-L150 PolarHBondContact O-N 3Å |
| 151 | G | 76.7 | Confident | 77.7 | Confident | 36 Ų | 36 | 42.3 Ų | 42.3 | 37% | 0.371 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | 9.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L148 F149 S153 | L148-G151 PolarHBondContact O-N 2.84Å; L148-G151 VanDerWaalsContact O-N 3.13Å; F149-G151 PolarHBondContact O-N 3.45Å; G151-S153 PolarHBondContact O-N 2.95Å |
| 152 | A | 81.8 | Confident | 77 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -57.6 | 123.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | W110 A112 A147 A154 R176 | W110-A152 HydrophobicContact CD2-CB 4.1Å; W110-A152 HydrophobicContact CE3-CB 4.02Å; W110-A152 HydrophobicContact CH2-CB 3.74Å; W110-A152 HydrophobicContact CZ2-CB 3.78Å; W110-A152 HydrophobicContact CZ3-CB 3.87Å; W110-A152 CarbonylContact O-C 3.57Å; A112-A152 HydrophobicContact CB-CB 3.91Å; A147-A152 VanDerWaalsContact O-CB 3.24Å; A147-A152 WeakPolarHBondContact O-CB 3.3Å; A147-A152 PolarHBondContact O-N 3.31Å; A152-A154 VanDerWaalsContact C-N 3.34Å; A152-A154 PolarHBondContact O-N 3.48Å; A152-R176 WeakPolarHBondContact O-CD 3.44Å; A152-R176 PolarHBondContact O-NH1 3.36Å | ||
| 153 | S | 79.3 | Confident | 76.2 | Confident | 28 Ų | 28 | 43.5 Ų | 43.5 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -66.4 | -33 | -177.3 | 59.1 | 0 | 0 | 0 | 0 | 113.4 | W110 G151 | W110-S153 PolarHBondContact O-N 3.02Å; W110-S153 PolarHBondContact O-OG 3.49Å; G151-S153 PolarHBondContact O-N 2.95Å |
| 154 | A | 81.8 | Confident | 75.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 162.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | L89 I111 A112 A152 P177 I204 | L89-A154 HydrophobicContact CD1-CB 4.47Å; I111-A154 HydrophobicContact CG1-CB 4.34Å; I111-A154 HydrophobicContact CG2-CB 4.28Å; A112-A154 PolarHBondContact N-O 2.94Å; A152-A154 VanDerWaalsContact C-N 3.34Å; A152-A154 PolarHBondContact O-N 3.48Å; A154-P177 HydrophobicContact CB-CG 4.11Å; A154-I204 HydrophobicContact CB-CD1 4.38Å |
| 155 | L | 83.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129 | 171.6 | -74.5 | 165.4 | 0 | 0 | 0 | 109.8 | M96 A112 M144 A147 L148 P177 V178 I179 | M96-L155 HydrophobicContact CE-CD2 3.24Å; A112-L155 HydrophobicContact CB-CD2 3.7Å; A112-L155 CarbonylContact O-C 3.58Å; A112-L155 WeakPolarHBondContact O-CA 3.27Å; M144-L155 HydrophobicContact CB-CD1 4.4Å; M144-L155 HydrophobicContact CB-CD2 4.44Å; M144-L155 HydrophobicContact CE-CD1 4.1Å; A147-L155 HydrophobicContact CB-CD2 4.5Å; L148-L155 HydrophobicContact CD1-CD1 3.6Å; L148-L155 HydrophobicContact CD2-CD1 3.7Å; L148-L155 HydrophobicContact CD2-CD2 4.46Å; L148-L155 HydrophobicContact CD2-CG 3.75Å; L148-L155 HydrophobicContact CG-CD1 3.63Å; L148-L155 HydrophobicContact CG-CD2 4.46Å; L148-L155 HydrophobicContact CG-CG 4.07Å; L155-P177 PolarHBondContact N-O 3.46Å; L155-P177 VanDerWaalsContact N-O 3.11Å; L155-V178 HydrophobicContact CB-CG1 4.42Å; L155-V178 HydrophobicContact CB-CG2 4.32Å; L155-V178 HydrophobicContact CD1-CG2 4.08Å; L155-I179 PolarHBondContact O-N 2.9Å |
| 156 | L | 85.5 | Confident | 73.2 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 114.7 | 175.9 | -165.5 | 70.7 | 0 | 0 | 0 | 109.4 | L93 I111 A112 V113 A114 I179 L181 | L93-L156 HydrophobicContact CD2-CD2 4.21Å; I111-L156 HydrophobicContact CG2-CB 4Å; A112-L156 PolarHBondContact O-N 3.5Å; V113-L156 WeakPolarHBondContact CA-O 3.38Å; V113-L156 HydrophobicContact CG1-CD2 4.43Å; V113-L156 HydrophobicContact CG2-CB 4.2Å; V113-L156 HydrophobicContact CG2-CD2 4.04Å; A114-L156 PolarHBondContact N-O 3.4Å; L156-I179 WeakPolarHBondContact CA-O 3.43Å; L156-I179 HydrophobicContact CD1-CB 3.88Å; L156-I179 HydrophobicContact CD1-CG2 3.73Å; L156-L181 HydrophobicContact CD1-CD1 3.57Å; L156-L181 HydrophobicContact CD1-CD2 4.18Å; L156-L181 HydrophobicContact CD1-CG 3.64Å; L156-L181 HydrophobicContact CD2-CD1 3.69Å; L156-L181 HydrophobicContact CG-CD1 3.67Å; L156-L181 HydrophobicContact CG-CG 4.12Å |
| 157 | L | 82.3 | Confident | 72 | Confident | 7 Ų | 7 | 42 Ų | 42 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 110.5 | 179.8 | -72.5 | 175.6 | 0 | 0 | 0 | 110.3 | A114 M144 I159 V178 I179 V180 L181 | A114-L157 HydrophobicContact CB-CD2 3.65Å; A114-L157 WeakPolarHBondContact O-CA 3.44Å; M144-L157 HydrophobicContact CE-CD1 3.88Å; M144-L157 HydrophobicContact CE-CD2 3.56Å; M144-L157 HydrophobicContact CE-CG 4Å; M144-L157 HydrophobicContact SD-CD2 4.16Å; L157-I159 PolarHBondContact O-N 2.88Å; L157-V178 HydrophobicContact CD1-CG1 3.54Å; L157-V178 HydrophobicContact CG-CG1 4.13Å; L157-I179 PolarHBondContact N-O 3.21Å; L157-V180 HydrophobicContact CB-CG2 4.48Å; L157-V180 HydrophobicContact CD1-CG2 4.22Å; L157-L181 PolarHBondContact O-N 3.31Å |
| 158 | L | 82 | Confident | 71.1 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 99.2 | 173 | -59 | 158.6 | 0 | 0 | 0 | 108.6 | V113 A114 V116 L160 L181 V187 L190 L191 | V113-L158 HydrophobicContact CG1-CD1 3.31Å; V113-L158 HydrophobicContact CG1-CG 4.03Å; A114-L158 PolarHBondContact O-N 3.17Å; V116-L158 PolarHBondContact N-O 2.91Å; V116-L158 VanDerWaalsContact N-O 3.11Å; L158-L160 PolarHBondContact O-N 3.43Å; L158-L181 HydrophobicContact CD2-CB 4.32Å; L158-L181 HydrophobicContact CD2-CD1 3.57Å; L158-V187 HydrophobicContact CD2-CB 4.46Å; L158-V187 HydrophobicContact CD2-CG1 3.74Å; L158-V187 HydrophobicContact CD2-CG2 4.25Å; L158-L190 HydrophobicContact CD2-CD2 4.31Å; L158-L191 HydrophobicContact CD1-CD1 4.16Å |
| 159 | I | 72.8 | Confident | 70.1 | Confident | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 108.5 | 179.9 | -54.9 | 164.4 | 0 | 0 | 0 | 109.4 | L157 N161 V165 V180 | L157-I159 PolarHBondContact O-N 2.88Å; I159-N161 VanDerWaalsContact CG2-O 3.3Å; I159-N161 WeakPolarHBondContact CG2-O 3.4Å; I159-V165 HydrophobicContact CB-CG2 4.19Å; I159-V165 HydrophobicContact CD1-CB 4.38Å; I159-V165 HydrophobicContact CD1-CG1 4.31Å; I159-V165 HydrophobicContact CD1-CG2 3.33Å; I159-V165 HydrophobicContact CG1-CG2 3.43Å; I159-V165 VanDerWaalsContact CG1-CG2 3.43Å; I159-V165 HydrophobicContact CG2-CG2 3.66Å; I159-V180 HydrophobicContact CD1-CB 4.49Å; I159-V180 HydrophobicContact CD1-CG1 3.06Å; I159-V180 HydrophobicContact CG1-CG1 4.03Å |
| 160 | L | 67.3 | Low | 69.3 | Low | 59 Ų | 59 | 38.5 Ų | 38.5 | 31% | 0.309 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -90.3 | -19.9 | 167.3 | -56.4 | 166.4 | 0 | 0 | 0 | 111.5 | V116 L158 Y183 L191 | V116-L160 WeakPolarHBondContact O-CB 3.27Å; V116-L160 PolarHBondContact O-N 2.89Å; L158-L160 PolarHBondContact O-N 3.43Å; L160-Y183 HydrophobicContact CD2-CD2 3.81Å; L160-Y183 HydrophobicContact CD2-CE2 4Å; L160-L191 HydrophobicContact CD1-CD2 3.86Å |
| 161 | N | 63.2 | Low | 68.2 | Low | 46 Ų | 46 | 38.3 Ų | 38.3 | 25% | 0.246 | 21% | 0.206 | C | C | . | . | trans | -135.1 | 110.2 | 176.9 | -174.8 | -2.8 | 0 | 0 | 0 | 111.4 | I159 N163 V164 | I159-N161 VanDerWaalsContact CG2-O 3.3Å; I159-N161 WeakPolarHBondContact CG2-O 3.4Å; N161-N163 PolarHBondContact O-N 3.48Å; N161-N163 VanDerWaalsContact O-N 3.09Å; N161-N163 WeakPolarHBondContact OD1-CB 3.44Å; N161-N163 PolarHBondContact OD1-N 2.96Å; N161-N163 VanDerWaalsContact OD1-N 3.15Å; N161-V164 HydrophobicContact CB-CG2 4.32Å; N161-V164 PolarHBondContact O-N 3.39Å | ||
| 162 | H | 60.8 | Low | 67.3 | Low | 95 Ų | 95 | 42.8 Ų | 42.8 | 44% | 0.44 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.1 | -17.9 | -178 | -58.7 | -79.8 | 0 | 0 | 0 | 114.3 | H182 | H162-H182 AromaticContact CE1-CD2 3.8Å; H162-H182 AromaticContact CE1-NE2 3.62Å |
| 163 | N | 56.3 | Low | 66.3 | Low | 99 Ų | 99 | 43 Ų | 43 | 53% | 0.529 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -72.6 | -29.9 | -179.1 | -68.3 | -27 | 0 | 0 | 0 | 112.8 | N161 R166 | N161-N163 PolarHBondContact O-N 3.48Å; N161-N163 VanDerWaalsContact O-N 3.09Å; N161-N163 WeakPolarHBondContact OD1-CB 3.44Å; N161-N163 PolarHBondContact OD1-N 2.96Å; N161-N163 VanDerWaalsContact OD1-N 3.15Å; N163-R166 WeakPolarHBondContact O-CB 3.38Å; N163-R166 PolarHBondContact O-N 3.3Å |
| 164 | V | 57.1 | Low | 65.2 | Low | 21 Ų | 21 | 45.1 Ų | 45.1 | 13% | 0.127 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -76 | -28.8 | -175.6 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | V116 Y136 N161 R166 E167 L168 | V116-V164 HydrophobicContact CG1-CB 3.56Å; V116-V164 HydrophobicContact CG1-CG1 3.48Å; V116-V164 VanDerWaalsContact CG1-CG1 3.48Å; V116-V164 HydrophobicContact CG1-CG2 3.72Å; Y136-V164 HydrophobicContact CE1-CG1 4.3Å; N161-V164 HydrophobicContact CB-CG2 4.32Å; N161-V164 PolarHBondContact O-N 3.39Å; V164-R166 PolarHBondContact O-N 3.1Å; V164-E167 PolarHBondContact O-N 3.49Å; V164-L168 PolarHBondContact O-N 2.85Å |
| 165 | V | 58.7 | Low | 64.2 | Low | 13 Ų | 13 | 53.3 Ų | 53.3 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.5 | -29 | 176.3 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | I159 E167 L168 W221 | I159-V165 HydrophobicContact CB-CG2 4.19Å; I159-V165 HydrophobicContact CD1-CB 4.38Å; I159-V165 HydrophobicContact CD1-CG1 4.31Å; I159-V165 HydrophobicContact CD1-CG2 3.33Å; I159-V165 HydrophobicContact CG1-CG2 3.43Å; I159-V165 VanDerWaalsContact CG1-CG2 3.43Å; I159-V165 HydrophobicContact CG2-CG2 3.66Å; V165-E167 PolarHBondContact O-N 2.85Å; V165-L168 PolarHBondContact O-N 3.49Å; V165-W221 HydrophobicContact CB-CZ3 4.26Å; V165-W221 HydrophobicContact CG1-CE3 4.31Å; V165-W221 HydrophobicContact CG1-CZ3 3.73Å |
| 166 | R | 56 | Low | 63.5 | Low | 119 Ų | 119 | 57.6 Ų | 57.6 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -25.4 | 176.1 | -67 | 178.5 | 144.6 | -169 | -10.8 | 113 | N163 V164 W221 | N163-R166 WeakPolarHBondContact O-CB 3.38Å; N163-R166 PolarHBondContact O-N 3.3Å; V164-R166 PolarHBondContact O-N 3.1Å; R166-W221 HydrophobicContact CG-CH2 3.54Å; R166-W221 HydrophobicContact CG-CZ2 3.71Å; R166-W221 HydrophobicContact CG-CZ3 4.44Å |
| 167 | E | 52.6 | Low | 62.7 | Low | 95 Ų | 95 | 58.4 Ų | 58.4 | 44% | 0.444 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -3.4 | -178.2 | -64 | -176 | 174.2 | 0 | 0 | 112.7 | V164 V165 W234 | V164-E167 PolarHBondContact O-N 3.49Å; V165-E167 PolarHBondContact O-N 2.85Å; E167-W234 HydrophobicContact CG-CZ2 4.23Å |
| 168 | L | 61.1 | Low | 62.4 | Low | 15 Ų | 15 | 58.1 Ų | 58.1 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | trans | -94.3 | 114.8 | -176 | -147.8 | 75.1 | 0 | 0 | 0 | 110.8 | P137 L140 V141 M144 V164 V165 I170 | P137-L168 HydrophobicContact CB-CD1 4.44Å; L140-L168 HydrophobicContact CD2-CD1 3.91Å; L140-L168 HydrophobicContact CD2-CD2 4.49Å; L140-L168 HydrophobicContact CG-CD1 4.46Å; V141-L168 HydrophobicContact CG2-CD1 3.56Å; V141-L168 HydrophobicContact CG2-CG 3.85Å; M144-L168 HydrophobicContact CE-CD2 4.45Å; M144-L168 HydrophobicContact SD-CD2 3.94Å; V164-L168 PolarHBondContact O-N 2.85Å; V165-L168 PolarHBondContact O-N 3.49Å; L168-I170 HydrophobicContact CB-CG1 4.33Å; L168-I170 HydrophobicContact CD2-CG1 4.18Å; L168-I170 HydrophobicContact CG-CG1 4.43Å; L168-I170 PolarHBondContact O-N 2.86Å; L168-I170 VanDerWaalsContact O-N 3.08Å | ||
| 169 | D | 57.4 | Low | 62.3 | Low | 67 Ų | 67 | 58 Ų | 58 | 36% | 0.358 | 29% | 0.29 | S | S | . | . | trans | -79.6 | 87.4 | 174.6 | -175.5 | 16.1 | 0 | 0 | 0 | 110.7 | S171 Q172 | D169-S171 PolarHBondContact O-N 3.33Å; D169-S171 VanDerWaalsContact OD1-CB 3.26Å; D169-S171 WeakPolarHBondContact OD1-CB 3.47Å; D169-S171 PolarHBondContact OD1-N 2.83Å; D169-S171 PolarHBondContact OD1-OG 2.85Å; D169-Q172 PolarHBondContact OD2-NE2 3.31Å | ||
| 170 | I | 61.4 | Low | 62.5 | Low | 22 Ų | 22 | 57.9 Ų | 57.9 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -76.1 | -13.4 | -176.2 | -56.7 | 162.6 | 0 | 0 | 0 | 111.7 | L168 Q172 L173 V178 | L168-I170 HydrophobicContact CB-CG1 4.33Å; L168-I170 HydrophobicContact CD2-CG1 4.18Å; L168-I170 HydrophobicContact CG-CG1 4.43Å; L168-I170 PolarHBondContact O-N 2.86Å; L168-I170 VanDerWaalsContact O-N 3.08Å; I170-Q172 PolarHBondContact O-N 3.32Å; I170-L173 PolarHBondContact O-N 2.78Å; I170-V178 HydrophobicContact CG2-CG2 4.25Å |
| 171 | S | 55.3 | Low | 63.1 | Low | 69 Ų | 69 | 55.1 Ų | 55.1 | 48% | 0.483 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -53.6 | -29.4 | -179.3 | -39 | 0 | 0 | 0 | 0 | 113 | D169 | D169-S171 PolarHBondContact O-N 3.33Å; D169-S171 VanDerWaalsContact OD1-CB 3.26Å; D169-S171 WeakPolarHBondContact OD1-CB 3.47Å; D169-S171 PolarHBondContact OD1-N 2.83Å; D169-S171 PolarHBondContact OD1-OG 2.85Å |
| 172 | Q | 57 | Low | 63.4 | Low | 131 Ų | 131 | 57.2 Ų | 57.2 | 61% | 0.612 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -84.7 | -7 | -176.8 | -55.2 | -177.3 | 27.9 | 0 | 0 | 113.8 | D169 I170 | D169-Q172 PolarHBondContact OD2-NE2 3.31Å; I170-Q172 PolarHBondContact O-N 3.32Å |
| 173 | L | 60.3 | Low | 63.9 | Low | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -106.5 | -0.8 | -173.9 | -60.9 | 174.9 | 0 | 0 | 0 | 113.7 | V141 M144 R145 L148 I170 L175 | V141-L173 HydrophobicContact CG1-CD2 4.47Å; M144-L173 HydrophobicContact CB-CD1 4.06Å; M144-L173 HydrophobicContact CB-CD2 4.38Å; M144-L173 HydrophobicContact CE-CD1 3.61Å; M144-L173 HydrophobicContact SD-CD1 3.99Å; R145-L173 HydrophobicContact CB-CD2 4.06Å; L148-L173 HydrophobicContact CD1-CB 4.38Å; L148-L173 HydrophobicContact CD1-CD2 4.21Å; I170-L173 PolarHBondContact O-N 2.78Å; L173-L175 PolarHBondContact O-N 3.25Å |
| 174 | L | 57.6 | Low | 64.7 | Low | 72 Ų | 72 | 55.8 Ų | 55.8 | 38% | 0.377 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 8.7 | -164.2 | -63.5 | 174 | 0 | 0 | 0 | 116.7 | I79 R176 | I79-L174 HydrophobicContact CG2-CD2 3.94Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 PolarHBondContact O-N 3.35Å |
| 175 | L | 59.6 | Low | 65.4 | Low | 172 Ų | 172 | 58.6 Ų | 58.6 | 90% | 0.901 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.4 | 175.6 | -71.8 | 167 | 0 | 0 | 0 | 112.7 | L173 | L173-L175 PolarHBondContact O-N 3.25Š|
| 176 | R | 70.1 | Confident | 66.5 | Low | 90 Ų | 90 | 60.2 Ų | 60.2 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -134.8 | 153.8 | 176.5 | -68.9 | -165.2 | -177.1 | 144.3 | 4.9 | 110.2 | L148 A152 L174 V178 | L148-R176 HydrophobicContact CD2-CB 3.72Å; L148-R176 HydrophobicContact CD2-CG 4.19Å; L148-R176 PolarHBondContact O-NH1 3Å; A152-R176 WeakPolarHBondContact O-CD 3.44Å; A152-R176 PolarHBondContact O-NH1 3.36Å; L174-R176 VanDerWaalsContact C-N 3.27Å; L174-R176 PolarHBondContact O-N 3.35Å; R176-V178 PolarHBondContact O-N 3.3Å |
| 177 | P | 68.3 | Low | 67.7 | Low | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | trans | -65.1 | 131.2 | -174 | 24.8 | -32.9 | 0 | 0 | 0 | 111.8 | R78 L89 A154 L155 | R78-P177 HydrophobicContact CG-CB 4.24Å; L89-P177 HydrophobicContact CD1-CB 4.39Å; L89-P177 HydrophobicContact CD1-CG 3.57Å; A154-P177 HydrophobicContact CB-CG 4.11Å; L155-P177 PolarHBondContact N-O 3.46Å; L155-P177 VanDerWaalsContact N-O 3.11Å | ||
| 178 | V | 76 | Confident | 69 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.3 | 172.4 | -177.1 | 0 | 0 | 0 | 0 | 108 | I79 L155 L157 I170 R176 V180 | I79-V178 PolarHBondContact N-O 3.12Å; I79-V178 PolarHBondContact O-N 3.42Å; I79-V178 VanDerWaalsContact O-N 3.13Å; L155-V178 HydrophobicContact CB-CG1 4.42Å; L155-V178 HydrophobicContact CB-CG2 4.32Å; L155-V178 HydrophobicContact CD1-CG2 4.08Å; L157-V178 HydrophobicContact CD1-CG1 3.54Å; L157-V178 HydrophobicContact CG-CG1 4.13Å; I170-V178 HydrophobicContact CG2-CG2 4.25Å; R176-V178 PolarHBondContact O-N 3.3Å; V178-V180 HydrophobicContact CG1-CG2 4.48Å |
| 179 | I | 78.9 | Confident | 70 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 122.3 | 179.8 | -60.4 | 166.9 | 0 | 0 | 0 | 108.1 | V62 R78 L155 L156 L157 L181 I204 | V62-I179 HydrophobicContact CG2-CG2 4.16Å; R78-I179 HydrophobicContact CB-CG1 4.33Å; L155-I179 PolarHBondContact O-N 2.9Å; L156-I179 WeakPolarHBondContact CA-O 3.43Å; L156-I179 HydrophobicContact CD1-CB 3.88Å; L156-I179 HydrophobicContact CD1-CG2 3.73Å; L157-I179 PolarHBondContact N-O 3.21Å; I179-L181 HydrophobicContact CG2-CD2 4.33Å; I179-I204 HydrophobicContact CD1-CB 4.38Å; I179-I204 HydrophobicContact CD1-CD1 3.29Å; I179-I204 HydrophobicContact CD1-CG1 3.82Å; I179-I204 HydrophobicContact CD1-CG2 3.7Å |
| 180 | V | 78.3 | Confident | 71.2 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 115.3 | -179.1 | 178 | 0 | 0 | 0 | 0 | 108.5 | G76 V77 I79 L157 I159 V178 | G76-V180 CarbonylContact C-O 3.48Å; G76-V180 WeakPolarHBondContact CA-O 3.14Å; V77-V180 PolarHBondContact N-O 2.98Å; V77-V180 PolarHBondContact O-N 3.13Å; I79-V180 HydrophobicContact CD1-CG2 3.82Å; L157-V180 HydrophobicContact CB-CG2 4.48Å; L157-V180 HydrophobicContact CD1-CG2 4.22Å; I159-V180 HydrophobicContact CD1-CB 4.49Å; I159-V180 HydrophobicContact CD1-CG1 3.06Å; I159-V180 HydrophobicContact CG1-CG1 4.03Å; V178-V180 HydrophobicContact CG1-CG2 4.48Å |
| 181 | L | 78.4 | Confident | 72.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 135.6 | 176.7 | -67 | -179.8 | 0 | 0 | 0 | 110.9 | V62 L74 L156 L157 L158 I179 V187 | V62-L181 HydrophobicContact CB-CD2 4.49Å; V62-L181 HydrophobicContact CG2-CD2 4.06Å; L74-L181 HydrophobicContact CB-CD1 4.5Å; L74-L181 HydrophobicContact CB-CD2 4.05Å; L74-L181 HydrophobicContact CD1-CD1 3.87Å; L156-L181 HydrophobicContact CD1-CD1 3.57Å; L156-L181 HydrophobicContact CD1-CD2 4.18Å; L156-L181 HydrophobicContact CD1-CG 3.64Å; L156-L181 HydrophobicContact CD2-CD1 3.69Å; L156-L181 HydrophobicContact CG-CD1 3.67Å; L156-L181 HydrophobicContact CG-CG 4.12Å; L157-L181 PolarHBondContact O-N 3.31Å; L158-L181 HydrophobicContact CD2-CB 4.32Å; L158-L181 HydrophobicContact CD2-CD1 3.57Å; I179-L181 HydrophobicContact CG2-CD2 4.33Å; L181-V187 HydrophobicContact CB-CG2 4.07Å; L181-V187 HydrophobicContact CD1-CG2 4.33Å |
| 182 | H | 70.9 | Confident | 73.5 | Confident | 91 Ų | 91 | 53.4 Ų | 53.4 | 42% | 0.421 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 146.6 | 176.5 | -172.3 | -86 | 0 | 0 | 0 | 111.3 | H162 S184 V187 | H162-H182 AromaticContact CE1-CD2 3.8Å; H162-H182 AromaticContact CE1-NE2 3.62Å; H182-S184 PolarHBondContact O-N 3.18Å; H182-S184 VanDerWaalsContact O-N 3.08Å; H182-V187 VanDerWaalsContact O-CG2 3.26Å; H182-V187 WeakPolarHBondContact O-CG2 3.19Å |
| 183 | Y | 70.5 | Confident | 74.7 | Confident | 123 Ų | 123 | 47.2 Ų | 47.2 | 48% | 0.482 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -54.3 | 117.7 | 172.8 | -178.5 | -97.2 | 0 | 0 | 0 | 110.9 | L160 T188 | L160-Y183 HydrophobicContact CD2-CD2 3.81Å; L160-Y183 HydrophobicContact CD2-CE2 4Å; Y183-T188 HydrophobicContact CD2-CG2 4.28Å; Y183-T188 HydrophobicContact CE2-CG2 3.52Å |
| 184 | S | 72.8 | Confident | 75.7 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | trans | -146.1 | 161.3 | 175.2 | 62.3 | 0 | 0 | 0 | 0 | 109.1 | H182 N186 V187 T188 | H182-S184 PolarHBondContact O-N 3.18Å; H182-S184 VanDerWaalsContact O-N 3.08Å; S184-N186 PolarHBondContact O-N 3.01Å; S184-V187 WeakPolarHBondContact O-CB 3.39Å; S184-V187 PolarHBondContact O-N 3.42Å; S184-V187 WeakPolarHBondContact OG-CG2 3.34Å; S184-V187 PolarHBondContact OG-N 3.42Å; S184-T188 PolarHBondContact O-N 2.85Å; S184-T188 VanDerWaalsContact O-N 3.15Å | ||
| 185 | S | 71.1 | Confident | 76.9 | Confident | 80 Ų | 80 | 48.2 Ų | 48.2 | 56% | 0.559 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.4 | -26.4 | 175.4 | 53.7 | 0 | 0 | 0 | 0 | 112.9 | T188 K189 | S185-T188 PolarHBondContact O-OG1 3.15Å; S185-K189 VanDerWaalsContact O-CG 3.25Å; S185-K189 WeakPolarHBondContact O-CG 3.17Å; S185-K189 PolarHBondContact O-N 2.81Å |
| 186 | N | 82.1 | Confident | 78 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -76.2 | -35.4 | 174.6 | -66.8 | -11 | 0 | 0 | 0 | 111.5 | L72 V73 L74 S184 K189 L190 | L72-N186 HydrophobicContact CD2-CB 4.34Å; V73-N186 PolarHBondContact O-ND2 3.42Å; L74-N186 HydrophobicContact CD2-CB 3.39Å; S184-N186 PolarHBondContact O-N 3.01Å; N186-K189 PolarHBondContact O-N 2.81Å; N186-L190 WeakPolarHBondContact O-CB 3.32Å; N186-L190 PolarHBondContact O-N 3.36Å |
| 187 | V | 81.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 174.3 | 156.6 | 0 | 0 | 0 | 0 | 111.7 | L74 L158 L181 H182 S184 L190 L191 | L74-V187 HydrophobicContact CD2-CG2 3.85Å; L158-V187 HydrophobicContact CD2-CB 4.46Å; L158-V187 HydrophobicContact CD2-CG1 3.74Å; L158-V187 HydrophobicContact CD2-CG2 4.25Å; L181-V187 HydrophobicContact CB-CG2 4.07Å; L181-V187 HydrophobicContact CD1-CG2 4.33Å; H182-V187 VanDerWaalsContact O-CG2 3.26Å; H182-V187 WeakPolarHBondContact O-CG2 3.19Å; S184-V187 WeakPolarHBondContact O-CB 3.39Å; S184-V187 PolarHBondContact O-N 3.42Å; S184-V187 WeakPolarHBondContact OG-CG2 3.34Å; S184-V187 PolarHBondContact OG-N 3.42Å; V187-L190 PolarHBondContact O-N 2.8Å; V187-L191 PolarHBondContact O-N 2.87Å |
| 188 | T | 80.4 | Confident | 78.8 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 177.3 | 56.5 | 0 | 0 | 0 | 0 | 111.8 | Y183 S184 S185 L190 L191 D192 | Y183-T188 HydrophobicContact CD2-CG2 4.28Å; Y183-T188 HydrophobicContact CE2-CG2 3.52Å; S184-T188 PolarHBondContact O-N 2.85Å; S184-T188 VanDerWaalsContact O-N 3.15Å; S185-T188 PolarHBondContact O-OG1 3.15Å; T188-L190 VanDerWaalsContact C-N 3.32Å; T188-L190 PolarHBondContact O-N 3.12Å; T188-L191 PolarHBondContact O-N 3.31Å; T188-D192 PolarHBondContact O-N 2.88Å |
| 189 | K | 82.3 | Confident | 79 | Confident | 104 Ų | 104 | 59.3 Ų | 59.3 | 45% | 0.452 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 173.7 | -73 | 171.9 | -176.3 | 178.9 | 0 | 112.6 | L72 S185 N186 A193 | L72-K189 HydrophobicContact CD1-CB 4.23Å; L72-K189 HydrophobicContact CD2-CD 4.34Å; S185-K189 VanDerWaalsContact O-CG 3.25Å; S185-K189 WeakPolarHBondContact O-CG 3.17Å; S185-K189 PolarHBondContact O-N 2.81Å; N186-K189 PolarHBondContact O-N 2.81Å; K189-A193 WeakPolarHBondContact O-CB 3.34Å; K189-A193 PolarHBondContact O-N 3.35Å |
| 190 | L | 82.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 174.4 | 175.1 | 63.1 | 0 | 0 | 0 | 110.9 | V64 L66 L72 L74 L93 L158 N186 V187 T188 D192 A193 L194 A200 | V64-L190 HydrophobicContact CG1-CD1 3.77Å; V64-L190 HydrophobicContact CG2-CD2 4.32Å; L66-L190 HydrophobicContact CD1-CD1 4.45Å; L72-L190 HydrophobicContact CD1-CB 4.09Å; L74-L190 HydrophobicContact CD1-CD2 3.53Å; L93-L190 HydrophobicContact CD1-CD1 3.96Å; L93-L190 HydrophobicContact CD1-CD2 4.23Å; L158-L190 HydrophobicContact CD2-CD2 4.31Å; N186-L190 WeakPolarHBondContact O-CB 3.32Å; N186-L190 PolarHBondContact O-N 3.36Å; V187-L190 PolarHBondContact O-N 2.8Å; T188-L190 VanDerWaalsContact C-N 3.32Å; T188-L190 PolarHBondContact O-N 3.12Å; L190-D192 VanDerWaalsContact C-N 3.35Å; L190-D192 PolarHBondContact O-N 3.16Å; L190-A193 PolarHBondContact O-N 3.1Å; L190-L194 HydrophobicContact CD1-CD1 4.14Å; L190-L194 HydrophobicContact CD1-CG 4.13Å; L190-L194 HydrophobicContact CG-CD1 4.02Å; L190-L194 HydrophobicContact CG-CG 4.41Å; L190-L194 WeakPolarHBondContact O-CG 3.21Å; L190-L194 PolarHBondContact O-N 3.24Å; L190-A200 HydrophobicContact CD1-CB 4.43Å |
| 191 | L | 83.4 | Confident | 79.6 | Confident | 15 Ų | 15 | 62 Ų | 62 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 179.5 | -178.9 | 60.8 | 0 | 0 | 0 | 111.2 | L95 Y115 L158 L160 V187 T188 A193 L194 L195 | L95-L191 HydrophobicContact CD1-CD1 4.47Å; Y115-L191 HydrophobicContact CD1-CD1 3.91Å; Y115-L191 HydrophobicContact CD2-CD1 4.14Å; Y115-L191 HydrophobicContact CD2-CD2 4.27Å; Y115-L191 HydrophobicContact CG-CD1 3.69Å; Y115-L191 HydrophobicContact CG-CD2 4.46Å; L158-L191 HydrophobicContact CD1-CD1 4.16Å; L160-L191 HydrophobicContact CD1-CD2 3.86Å; V187-L191 PolarHBondContact O-N 2.87Å; T188-L191 PolarHBondContact O-N 3.31Å; L191-A193 VanDerWaalsContact C-N 3.3Å; L191-A193 PolarHBondContact O-N 2.78Å; L191-L194 PolarHBondContact O-N 2.87Å; L191-L195 HydrophobicContact CD1-CD1 4.39Å; L191-L195 HydrophobicContact CD1-CG 4.35Å; L191-L195 HydrophobicContact CG-CD1 4.1Å; L191-L195 HydrophobicContact CG-CG 4.5Å; L191-L195 WeakPolarHBondContact O-CG 3.2Å; L191-L195 PolarHBondContact O-N 2.83Å |
| 192 | D | 81.8 | Confident | 79.9 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 47% | 0.471 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 176.6 | -70.8 | -24.8 | 0 | 0 | 0 | 111.7 | T188 L190 L195 Q196 | T188-D192 PolarHBondContact O-N 2.88Å; L190-D192 VanDerWaalsContact C-N 3.35Å; L190-D192 PolarHBondContact O-N 3.16Å; D192-L195 PolarHBondContact O-N 3.34Å; D192-Q196 VanDerWaalsContact O-CG 3.26Å; D192-Q196 WeakPolarHBondContact O-CG 3.22Å; D192-Q196 PolarHBondContact O-N 2.86Å |
| 193 | A | 81.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L66 K189 L190 L191 Q196 T198 | L66-A193 HydrophobicContact CD2-CB 3.33Å; K189-A193 WeakPolarHBondContact O-CB 3.34Å; K189-A193 PolarHBondContact O-N 3.35Å; L190-A193 PolarHBondContact O-N 3.1Å; L191-A193 VanDerWaalsContact C-N 3.3Å; L191-A193 PolarHBondContact O-N 2.78Å; A193-Q196 PolarHBondContact O-N 3.37Å; A193-T198 VanDerWaalsContact C-OG1 3.27Å; A193-T198 WeakPolarHBondContact O-CB 3.46Å; A193-T198 PolarHBondContact O-N 3.24Å; A193-T198 VanDerWaalsContact O-N 3.17Å; A193-T198 PolarHBondContact O-OG1 2.73Å |
| 194 | L | 81.9 | Confident | 81 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 176.9 | -68.8 | 173.8 | 0 | 0 | 0 | 111.9 | L93 L95 V113 L190 L191 Q196 R197 A200 | L93-L194 HydrophobicContact CB-CD2 3.99Å; L95-L194 HydrophobicContact CD1-CB 4Å; L95-L194 HydrophobicContact CD1-CD1 3.93Å; V113-L194 HydrophobicContact CB-CD1 4.33Å; V113-L194 HydrophobicContact CG1-CD1 3.91Å; V113-L194 HydrophobicContact CG2-CD1 4.24Å; L190-L194 HydrophobicContact CD1-CD1 4.14Å; L190-L194 HydrophobicContact CD1-CG 4.13Å; L190-L194 HydrophobicContact CG-CD1 4.02Å; L190-L194 HydrophobicContact CG-CG 4.41Å; L190-L194 WeakPolarHBondContact O-CG 3.21Å; L190-L194 PolarHBondContact O-N 3.24Å; L191-L194 PolarHBondContact O-N 2.87Å; L194-Q196 VanDerWaalsContact C-N 3.25Å; L194-Q196 PolarHBondContact O-N 2.93Å; L194-R197 WeakPolarHBondContact O-CA 3.44Å; L194-R197 PolarHBondContact O-N 3.07Å; L194-A200 HydrophobicContact CD2-CB 3.97Å |
| 195 | L | 82.1 | Confident | 81.2 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 47% | 0.471 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.5 | -32.9 | 173.9 | -72.2 | 172.1 | 0 | 0 | 0 | 111.9 | L95 L191 D192 R197 | L95-L195 HydrophobicContact CD2-CD2 3.93Å; L191-L195 HydrophobicContact CD1-CD1 4.39Å; L191-L195 HydrophobicContact CD1-CG 4.35Å; L191-L195 HydrophobicContact CG-CD1 4.1Å; L191-L195 HydrophobicContact CG-CG 4.5Å; L191-L195 WeakPolarHBondContact O-CG 3.2Å; L191-L195 PolarHBondContact O-N 2.83Å; D192-L195 PolarHBondContact O-N 3.34Å; L195-R197 PolarHBondContact O-N 2.85Å; L195-R197 VanDerWaalsContact O-N 3.16Å |
| 196 | Q | 82.7 | Confident | 81.1 | Confident | 141 Ų | 141 | 55.7 Ų | 55.7 | 66% | 0.659 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 9.9 | 171.9 | -69.1 | 173.7 | 17.2 | 0 | 0 | 113.8 | D192 A193 L194 T198 | D192-Q196 VanDerWaalsContact O-CG 3.26Å; D192-Q196 WeakPolarHBondContact O-CG 3.22Å; D192-Q196 PolarHBondContact O-N 2.86Å; A193-Q196 PolarHBondContact O-N 3.37Å; L194-Q196 VanDerWaalsContact C-N 3.25Å; L194-Q196 PolarHBondContact O-N 2.93Å; Q196-T198 HydrophobicContact CB-CG2 4.23Å; Q196-T198 PolarHBondContact O-N 3.33Å |
| 197 | R | 76.3 | Confident | 80 | Confident | 190 Ų | 190 | 54.2 Ų | 54.2 | 72% | 0.717 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 29.6 | -178.7 | -58.7 | -174.7 | 179.1 | -154.6 | -1.2 | 113.9 | L194 L195 | L194-R197 WeakPolarHBondContact O-CA 3.44Å; L194-R197 PolarHBondContact O-N 3.07Å; L195-R197 PolarHBondContact O-N 2.85Å; L195-R197 VanDerWaalsContact O-N 3.16Å |
| 198 | T | 79.8 | Confident | 78.8 | Confident | 42 Ų | 42 | 63 Ų | 63 | 26% | 0.258 | 32% | 0.318 | S | S | . | . | trans | -77.4 | 137.5 | 174.5 | 67.1 | 0 | 0 | 0 | 0 | 110.1 | A193 Q196 A200 | A193-T198 VanDerWaalsContact C-OG1 3.27Å; A193-T198 WeakPolarHBondContact O-CB 3.46Å; A193-T198 PolarHBondContact O-N 3.24Å; A193-T198 VanDerWaalsContact O-N 3.17Å; A193-T198 PolarHBondContact O-OG1 2.73Å; Q196-T198 HydrophobicContact CB-CG2 4.23Å; Q196-T198 PolarHBondContact O-N 3.33Å; T198-A200 PolarHBondContact O-N 2.8Å | ||
| 199 | Q | 80.3 | Confident | 77.2 | Confident | 141 Ų | 141 | 66.1 Ų | 66.1 | 66% | 0.659 | 34% | 0.341 | S | S | * | . | trans | -71.9 | 112.2 | 175.2 | -67.9 | -176.1 | -4.8 | 0 | 0 | 108.9 | P67 | P67-Q199 WeakPolarHBondContact CD-O 3.49Š| ||
| 200 | A | 83.6 | Confident | 75.4 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 144.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V64 L66 L93 L190 L194 T198 | V64-A200 HydrophobicContact CG1-CB 4.1Å; L66-A200 HydrophobicContact CG-CB 4.45Å; L93-A200 HydrophobicContact CB-CB 4.24Å; L93-A200 HydrophobicContact CD1-CB 3.94Å; L93-A200 HydrophobicContact CG-CB 4.39Å; L93-A200 PolarHBondContact N-O 2.98Å; L190-A200 HydrophobicContact CD1-CB 4.43Å; L194-A200 HydrophobicContact CD2-CB 3.97Å; T198-A200 PolarHBondContact O-N 2.8Å |
| 201 | T | 85 | Confident | 73.5 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 39% | 0.387 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 133.9 | 174.6 | 50.2 | 0 | 0 | 0 | 0 | 108.9 | V64 R65 G91 R92 | V64-T201 CarbonylContact C-O 3.58Å; V64-T201 WeakPolarHBondContact CA-O 3.43Å; V64-T201 WeakPolarHBondContact CG1-O 3.48Å; R65-T201 PolarHBondContact N-O 3.2Å; R65-T201 PolarHBondContact O-N 3.07Å; R65-T201 VanDerWaalsContact O-N 3.08Å; G91-T201 WeakPolarHBondContact O-CA 3.41Å; R92-T201 HydrophobicContact CG-CG2 4.1Å |
| 202 | A | 85.4 | Confident | 71.7 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.033 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 139.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V62 D63 V64 G90 G91 L93 I111 | V62-A202 HydrophobicContact CG1-CB 4.02Å; D63-A202 WeakPolarHBondContact O-CA 3.45Å; V64-A202 HydrophobicContact CG2-CB 4.11Å; G90-A202 WeakPolarHBondContact CA-O 3.34Å; G91-A202 PolarHBondContact N-O 3.3Å; G91-A202 PolarHBondContact O-N 2.86Å; L93-A202 HydrophobicContact CD1-CB 4.06Å; L93-A202 HydrophobicContact CD2-CB 3.53Å; L93-A202 HydrophobicContact CG-CB 3.85Å; I111-A202 HydrophobicContact CD1-CB 4.17Å |
| 203 | E | 84.3 | Confident | 69.9 | Low | 63 Ų | 63 | 73.2 Ų | 73.2 | 29% | 0.294 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.4 | 171.3 | -172.6 | 173 | -175.9 | 0 | 0 | 107.7 | D63 R65 L88 | D63-E203 PolarHBondContact N-O 2.87Å; D63-E203 PolarHBondContact O-N 3.34Å; R65-E203 IonicContact NH2-OE2 3.15Å; R65-E203 PolarHBondContact NH2-OE2 3.49Å; R65-E203 VanDerWaalsContact NH2-OE2 3.15Å; L88-E203 HydrophobicContact CD2-CG 4.22Å |
| 204 | I | 80.2 | Confident | 68.2 | Low | 10 Ų | 10 | 76.7 Ų | 76.7 | 5% | 0.051 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.1 | -175 | -62.3 | 156.6 | 0 | 0 | 0 | 108.6 | V60 V62 L89 I111 A154 I179 | V60-I204 HydrophobicContact CG1-CG2 3.29Å; V62-I204 HydrophobicContact CG1-CG1 4.19Å; V62-I204 HydrophobicContact CG2-CG1 4.24Å; L89-I204 HydrophobicContact CB-CB 4.06Å; L89-I204 HydrophobicContact CB-CD1 3.61Å; L89-I204 HydrophobicContact CB-CG1 4.37Å; L89-I204 HydrophobicContact CD1-CD1 4.42Å; L89-I204 WeakPolarHBondContact O-CB 3.22Å; L89-I204 WeakPolarHBondContact O-CD1 3.49Å; L89-I204 WeakPolarHBondContact O-CG1 3.32Å; L89-I204 PolarHBondContact O-N 3.43Å; I111-I204 HydrophobicContact CD1-CD1 3.68Å; I111-I204 HydrophobicContact CD1-CG1 4.48Å; A154-I204 HydrophobicContact CB-CD1 4.38Å; I179-I204 HydrophobicContact CD1-CB 4.38Å; I179-I204 HydrophobicContact CD1-CD1 3.29Å; I179-I204 HydrophobicContact CD1-CG1 3.82Å; I179-I204 HydrophobicContact CD1-CG2 3.7Å |
| 205 | T | 76.4 | Confident | 66.6 | Low | 39 Ų | 39 | 79.5 Ų | 79.5 | 24% | 0.239 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.7 | 178.5 | 55.4 | 0 | 0 | 0 | 0 | 110.2 | V60 R61 L88 G207 | V60-T205 WeakPolarHBondContact CG1-O 3.3Å; R61-T205 PolarHBondContact N-O 3.37Å; R61-T205 PolarHBondContact O-N 2.84Å; R61-T205 PolarHBondContact O-OG1 3.18Å; L88-T205 HydrophobicContact CD2-CG2 3.95Å; T205-G207 PolarHBondContact O-N 2.83Å |
| 206 | S | 68.6 | Low | 64.6 | Low | 86 Ų | 86 | 81 Ų | 81 | 60% | 0.601 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 121.8 | 174.3 | 53.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 207 | G | 60.4 | Low | 62.7 | Low | 16 Ų | 16 | 78.4 Ų | 78.4 | 17% | 0.165 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 158.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A59 T205 | A59-G207 PolarHBondContact O-N 2.81Å; T205-G207 PolarHBondContact O-N 2.83Å |
| 208 | E | 56.3 | Low | 61.2 | Low | 185 Ų | 185 | 70 Ų | 70 | 86% | 0.864 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 146.4 | 161.5 | -71.2 | -176.3 | 160.3 | 0 | 0 | 109.6 | L210 | E208-L210 PolarHBondContact O-N 2.76Å; E208-L210 VanDerWaalsContact O-N 3.09Å |
| 209 | S | 46.1 | Very low | 59.7 | Low | 102 Ų | 102 | 69.9 Ų | 69.9 | 71% | 0.713 | 39% | 0.386 | S | S | * | . | trans | -48.2 | 111.2 | -168.6 | -60.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 210 | L | 44.9 | Very low | 57.9 | Low | 73 Ų | 73 | 65.3 Ų | 65.3 | 38% | 0.382 | 37% | 0.366 | S | S | . | . | trans | -81.6 | 156.6 | 169.9 | -73 | 170.3 | 0 | 0 | 0 | 111.1 | A59 E75 E208 | A59-L210 HydrophobicContact CB-CB 4Å; A59-L210 HydrophobicContact CB-CD1 4.35Å; A59-L210 HydrophobicContact CB-CG 4.23Å; E75-L210 HydrophobicContact CB-CD1 3.9Å; E75-L210 HydrophobicContact CG-CD1 4.02Å; E75-L210 WeakPolarHBondContact OE2-CD1 3.34Å; E208-L210 PolarHBondContact O-N 2.76Å; E208-L210 VanDerWaalsContact O-N 3.09Å | ||
| 211 | S | 43 | Very low | 56.1 | Low | 87 Ų | 87 | 68.4 Ų | 68.4 | 61% | 0.608 | 38% | 0.378 | S | S | * | . | trans | -35.6 | 129.7 | -168.2 | 65.2 | 0 | 0 | 0 | 0 | 115.6 | N213 | S211-N213 PolarHBondContact O-N 2.93Š| ||
| 212 | A | 44.5 | Very low | 54.2 | Low | 75 Ų | 75 | 67.8 Ų | 67.8 | 62% | 0.62 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 8.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 213 | N | 43.3 | Very low | 52 | Low | 121 Ų | 121 | 70.6 Ų | 70.6 | 65% | 0.647 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -9.1 | -173.7 | -89.8 | -21.8 | 0 | 0 | 0 | 115.6 | S211 W216 | S211-N213 PolarHBondContact O-N 2.93Å; N213-W216 VanDerWaalsContact O-CD1 3.23Å; N213-W216 PolarHBondContact O-NE1 2.79Å |
| 214 | I | 47.2 | Very low | 50.1 | Low | 75 Ų | 75 | 68.2 Ų | 68.2 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -28.1 | 176.8 | -58 | 170.5 | 0 | 0 | 0 | 110.6 | W216 K217 L218 | I214-W216 VanDerWaalsContact C-N 3.33Å; I214-W216 PolarHBondContact O-N 2.75Å; I214-K217 PolarHBondContact O-N 3.3Å; I214-L218 HydrophobicContact CG2-CD1 4.04Å; I214-L218 PolarHBondContact O-N 3.32Å |
| 215 | E | 47.3 | Very low | 48.4 | Very low | 65 Ų | 65 | 70.2 Ų | 70.2 | 30% | 0.304 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -51.7 | -51 | 169.6 | -161.4 | 167.9 | -158.6 | 0 | 0 | 110.4 | K217 L218 T219 | E215-K217 VanDerWaalsContact C-N 3.31Å; E215-K217 PolarHBondContact O-N 3.22Å; E215-L218 PolarHBondContact O-N 3.24Å; E215-T219 HydrophobicContact CG-CG2 4.36Å; E215-T219 WeakPolarHBondContact O-CB 3.19Å; E215-T219 VanDerWaalsContact O-CG2 3.24Å; E215-T219 WeakPolarHBondContact O-CG2 3.29Å; E215-T219 PolarHBondContact O-N 2.82Å; E215-T219 PolarHBondContact O-OG1 3.42Å |
| 216 | W | 40.9 | Very low | 47.1 | Very low | 122 Ų | 122 | 73.7 Ų | 73.7 | 46% | 0.462 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.1 | -31.9 | -179.9 | 69.5 | -77.6 | 0 | 0 | 0 | 114.8 | N213 I214 T219 L220 | N213-W216 VanDerWaalsContact O-CD1 3.23Å; N213-W216 PolarHBondContact O-NE1 2.79Å; I214-W216 VanDerWaalsContact C-N 3.33Å; I214-W216 PolarHBondContact O-N 2.75Å; W216-T219 VanDerWaalsContact CA-OG1 3.24Å; W216-T219 WeakPolarHBondContact CA-OG1 3.27Å; W216-T219 PolarHBondContact O-OG1 2.84Å; W216-T219 VanDerWaalsContact O-OG1 3.07Å; W216-L220 WeakPolarHBondContact O-CB 3.33Å; W216-L220 VanDerWaalsContact O-CD1 3.27Å; W216-L220 WeakPolarHBondContact O-CD1 3.27Å; W216-L220 PolarHBondContact O-N 2.83Å; W216-L220 VanDerWaalsContact O-N 3.16Å |
| 217 | K | 42.7 | Very low | 45.7 | Very low | 86 Ų | 86 | 73.9 Ų | 73.9 | 37% | 0.374 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -79.9 | -29.9 | -174.2 | -144.1 | 173.2 | -168.8 | 172.1 | 0 | 111.9 | I214 E215 | I214-K217 PolarHBondContact O-N 3.3Å; E215-K217 VanDerWaalsContact C-N 3.31Å; E215-K217 PolarHBondContact O-N 3.22Å |
| 218 | L | 46 | Very low | 44.7 | Very low | 14 Ų | 14 | 78.7 Ų | 78.7 | 7% | 0.073 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -90.9 | -32.7 | 176.1 | -68.8 | 170.1 | 0 | 0 | 0 | 112.2 | V77 I79 I214 E215 L220 W221 T222 | V77-L218 HydrophobicContact CB-CD1 3.95Å; V77-L218 HydrophobicContact CG1-CD1 4.06Å; V77-L218 HydrophobicContact CG2-CD1 4.08Å; I79-L218 HydrophobicContact CD1-CD2 4.43Å; I214-L218 HydrophobicContact CG2-CD1 4.04Å; I214-L218 PolarHBondContact O-N 3.32Å; E215-L218 PolarHBondContact O-N 3.24Å; L218-L220 PolarHBondContact O-N 3.15Å; L218-W221 HydrophobicContact CD2-CD2 4.5Å; L218-W221 HydrophobicContact CD2-CE3 3.56Å; L218-W221 HydrophobicContact CD2-CZ3 3.69Å; L218-W221 PolarHBondContact O-N 2.78Å; L218-T222 PolarHBondContact O-N 3.46Å; L218-T222 PolarHBondContact O-OG1 3.28Å |
| 219 | T | 46.8 | Very low | 43.9 | Very low | 40 Ų | 40 | 73.3 Ų | 73.3 | 25% | 0.245 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.1 | -33.3 | 168.3 | 55.6 | 0 | 0 | 0 | 0 | 111.6 | A57 E215 W216 W221 T222 T223 | A57-T219 HydrophobicContact CB-CG2 3.61Å; E215-T219 HydrophobicContact CG-CG2 4.36Å; E215-T219 WeakPolarHBondContact O-CB 3.19Å; E215-T219 VanDerWaalsContact O-CG2 3.24Å; E215-T219 WeakPolarHBondContact O-CG2 3.29Å; E215-T219 PolarHBondContact O-N 2.82Å; E215-T219 PolarHBondContact O-OG1 3.42Å; W216-T219 VanDerWaalsContact CA-OG1 3.24Å; W216-T219 WeakPolarHBondContact CA-OG1 3.27Å; W216-T219 PolarHBondContact O-OG1 2.84Å; W216-T219 VanDerWaalsContact O-OG1 3.07Å; T219-W221 PolarHBondContact O-N 3.48Å; T219-T222 PolarHBondContact O-OG1 3.46Å; T219-T223 PolarHBondContact O-N 3.44Å; T219-T223 PolarHBondContact O-OG1 3.33Å |
| 220 | L | 43.1 | Very low | 43.8 | Very low | 44 Ų | 44 | 72.2 Ų | 72.2 | 23% | 0.23 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -69.3 | -12.8 | 173.4 | -114.7 | 95.6 | 0 | 0 | 0 | 114.2 | W216 L218 C224 L237 C239 | W216-L220 WeakPolarHBondContact O-CB 3.33Å; W216-L220 VanDerWaalsContact O-CD1 3.27Å; W216-L220 WeakPolarHBondContact O-CD1 3.27Å; W216-L220 PolarHBondContact O-N 2.83Å; W216-L220 VanDerWaalsContact O-N 3.16Å; L218-L220 PolarHBondContact O-N 3.15Å; L220-C224 VanDerWaalsContact C-SG 3.57Å; L220-C224 WeakPolarHBondContact O-CB 3.37Å; L220-C224 PolarHBondContact O-SG 2.97Å; L220-L237 HydrophobicContact CB-CD2 4.25Å; L220-L237 HydrophobicContact CD2-CB 4.07Å; L220-L237 HydrophobicContact CD2-CD2 3.36Å; L220-L237 HydrophobicContact CD2-CG 4.35Å; L220-L237 HydrophobicContact CG-CD2 4.45Å; L220-C239 WeakPolarHBondContact CD2-SG 3.24Å; L220-C239 WeakPolarHBondContact CG-SG 3.38Å |
| 221 | W | 46.3 | Very low | 43.4 | Very low | 66 Ų | 66 | 79.4 Ų | 79.4 | 25% | 0.25 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -100.8 | -25.2 | 178.6 | -64.9 | -13 | 0 | 0 | 0 | 111.8 | V165 R166 L218 T219 | V165-W221 HydrophobicContact CB-CZ3 4.26Å; V165-W221 HydrophobicContact CG1-CE3 4.31Å; V165-W221 HydrophobicContact CG1-CZ3 3.73Å; R166-W221 HydrophobicContact CG-CH2 3.54Å; R166-W221 HydrophobicContact CG-CZ2 3.71Å; R166-W221 HydrophobicContact CG-CZ3 4.44Å; L218-W221 HydrophobicContact CD2-CD2 4.5Å; L218-W221 HydrophobicContact CD2-CE3 3.56Å; L218-W221 HydrophobicContact CD2-CZ3 3.69Å; L218-W221 PolarHBondContact O-N 2.78Å; T219-W221 PolarHBondContact O-N 3.48Å |
| 222 | T | 44.7 | Very low | 43.2 | Very low | 51 Ų | 51 | 78.4 Ų | 78.4 | 31% | 0.313 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -82.1 | -22.2 | 177.2 | 54.6 | 0 | 0 | 0 | 0 | 113 | I79 L218 T219 | I79-T222 HydrophobicContact CB-CG2 4.35Å; I79-T222 HydrophobicContact CD1-CG2 4.45Å; I79-T222 HydrophobicContact CG1-CG2 4.24Å; I79-T222 HydrophobicContact CG2-CG2 3.34Å; L218-T222 PolarHBondContact O-N 3.46Å; L218-T222 PolarHBondContact O-OG1 3.28Å; T219-T222 PolarHBondContact O-OG1 3.46Å |
| 223 | T | 39.7 | Very low | 42.6 | Very low | 62 Ų | 62 | 76.6 Ų | 76.6 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -101.4 | 0.4 | 178.5 | 58.6 | 0 | 0 | 0 | 0 | 113.9 | T219 | T219-T223 PolarHBondContact O-N 3.44Å; T219-T223 PolarHBondContact O-OG1 3.33Å |
| 224 | C | 44.8 | Very low | 42.9 | Very low | 14 Ų | 14 | 78.2 Ų | 78.2 | 10% | 0.095 | 43% | 0.433 | C | S | . | . | trans | -151.8 | 115 | -166.2 | -12.1 | 0 | 0 | 0 | 0 | 114.3 | L220 V238 C239 | L220-C224 VanDerWaalsContact C-SG 3.57Å; L220-C224 WeakPolarHBondContact O-CB 3.37Å; L220-C224 PolarHBondContact O-SG 2.97Å; C224-V238 WeakPolarHBondContact CB-O 3.26Å; C224-C239 WeakPolarHBondContact SG-CA 3.42Å | ||
| 225 | G | 44.5 | Very low | 42.3 | Very low | 51 Ų | 51 | 82.2 Ų | 82.2 | 53% | 0.526 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 148.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 226 | L | 47.9 | Very low | 41.7 | Very low | 112 Ų | 112 | 85.6 Ų | 85.6 | 59% | 0.586 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 131.4 | 177.6 | -67.5 | 159.1 | 0 | 0 | 0 | 110.9 | ||
| 227 | S | 39.2 | Very low | 41.5 | Very low | 90 Ų | 90 | 83.7 Ų | 83.7 | 63% | 0.629 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -101.2 | 131.9 | 165.3 | -178.8 | 0 | 0 | 0 | 0 | 109.3 | ||
| 228 | K | 40.1 | Very low | 41.1 | Very low | 118 Ų | 118 | 82.1 Ų | 82.1 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | trans | -117.8 | 126.1 | -179.4 | -175.8 | 174.7 | -177.2 | 168.2 | 0 | 108.9 | ||||
| 229 | D | 39.6 | Very low | 40.8 | Very low | 72 Ų | 72 | 83 Ų | 83 | 39% | 0.385 | 47% | 0.473 | S | S | . | . | trans | -88 | 161.2 | 174.6 | 76.1 | -12.2 | 0 | 0 | 0 | 112.2 | Y231 G232 G233 | D229-Y231 PolarHBondContact O-N 3.27Å; D229-Y231 VanDerWaalsContact O-N 3.11Å; D229-G232 PolarHBondContact OD1-N 3.4Å; D229-G233 PolarHBondContact OD1-N 3.46Å; D229-G233 VanDerWaalsContact OD1-O 3.09Å | ||
| 230 | G | 42.5 | Very low | 40.4 | Very low | 79 Ų | 79 | 88 Ų | 88 | 81% | 0.814 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -0.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 231 | Y | 36.4 | Very low | 40.3 | Very low | 223 Ų | 223 | 88 Ų | 88 | 88% | 0.875 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.6 | 36.2 | 179.8 | -86.3 | -86 | 0 | 0 | 0 | 112.7 | D229 G233 | D229-Y231 PolarHBondContact O-N 3.27Å; D229-Y231 VanDerWaalsContact O-N 3.11Å; Y231-G233 PolarHBondContact O-N 2.78Å |
| 232 | G | 40.4 | Very low | 39.9 | Very low | 66 Ų | 66 | 87.9 Ų | 87.9 | 68% | 0.68 | 53% | 0.527 | S | S | * | . | S | Bend | trans | 60.9 | 18.6 | 158 | 0 | 0 | 0 | 0 | 0 | 116.6 | D229 | D229-G232 PolarHBondContact OD1-N 3.4Š|
| 233 | G | 31.8 | Very low | 39.4 | Very low | 37 Ų | 37 | 90.7 Ų | 90.7 | 38% | 0.381 | 55% | 0.549 | S | S | . | . | trans | -109.5 | 118.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | D229 Y231 Q235 | D229-G233 PolarHBondContact OD1-N 3.46Å; D229-G233 VanDerWaalsContact OD1-O 3.09Å; Y231-G233 PolarHBondContact O-N 2.78Å; G233-Q235 PolarHBondContact O-N 3.24Å | ||
| 234 | W | 48.8 | Very low | 39.1 | Very low | 156 Ų | 156 | 95.1 Ų | 95.1 | 59% | 0.591 | 56% | 0.559 | S | S | * | * | trans | -70.7 | 119.1 | 179.2 | -57.3 | 101.9 | 0 | 0 | 0 | 111.1 | E167 | E167-W234 HydrophobicContact CG-CZ2 4.23Š| ||
| 235 | Q | 34.9 | Very low | 38.9 | Very low | 158 Ų | 158 | 97.1 Ų | 97.1 | 74% | 0.738 | 58% | 0.577 | S | S | * | * | trans | -109.7 | 108.4 | 164.6 | -89.5 | 166 | 13.2 | 0 | 0 | 109.7 | G233 | G233-Q235 PolarHBondContact O-N 3.24Š| ||
| 236 | D | 35.4 | Very low | 38.6 | Very low | 136 Ų | 136 | 101.3 Ų | 101.3 | 73% | 0.727 | 58% | 0.582 | S | S | * | * | trans | 47.9 | 137.6 | 158.2 | -59.3 | -36.6 | 0 | 0 | 0 | 120.9 | V238 | D236-V238 PolarHBondContact O-N 2.8Å; D236-V238 VanDerWaalsContact O-N 3.09Å | ||
| 237 | L | 35.3 | Very low | 38.4 | Very low | 83 Ų | 83 | 104.4 Ų | 104.4 | 44% | 0.435 | 59% | 0.594 | S | S | . | * | trans | -58.8 | 112.6 | 173 | -79.5 | 84.1 | 0 | 0 | 0 | 110 | L220 C239 | L220-L237 HydrophobicContact CB-CD2 4.25Å; L220-L237 HydrophobicContact CD2-CB 4.07Å; L220-L237 HydrophobicContact CD2-CD2 3.36Å; L220-L237 HydrophobicContact CD2-CG 4.35Å; L220-L237 HydrophobicContact CG-CD2 4.45Å; L237-C239 PolarHBondContact O-N 3.43Å | ||
| 238 | V | 36.1 | Very low | 38.6 | Very low | 53 Ų | 53 | 107.8 Ų | 107.8 | 32% | 0.321 | 60% | 0.6 | S | S | . | * | trans | -84.5 | 110.3 | 170.5 | 175.3 | 0 | 0 | 0 | 0 | 107.5 | C224 D236 L240 | C224-V238 WeakPolarHBondContact CB-O 3.26Å; D236-V238 PolarHBondContact O-N 2.8Å; D236-V238 VanDerWaalsContact O-N 3.09Å; V238-L240 HydrophobicContact CG1-CG 4.38Å | ||
| 239 | C | 39.1 | Very low | 39 | Very low | 31 Ų | 31 | 105.5 Ų | 105.5 | 21% | 0.209 | 59% | 0.59 | C | S | . | * | trans | -82.9 | 123.1 | 166 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | L220 C224 L237 | L220-C239 WeakPolarHBondContact CD2-SG 3.24Å; L220-C239 WeakPolarHBondContact CG-SG 3.38Å; C224-C239 WeakPolarHBondContact SG-CA 3.42Å; L237-C239 PolarHBondContact O-N 3.43Å | ||
| 240 | L | 37.5 | Very low | 39.6 | Very low | 145 Ų | 145 | 105.5 Ų | 105.5 | 76% | 0.759 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -103.5 | 30.6 | 165.4 | -71.3 | 176.6 | 0 | 0 | 0 | 111.9 | V238 | V238-L240 HydrophobicContact CG1-CG 4.38Š|
| 241 | G | 41.6 | Very low | 40.6 | Very low | 44 Ų | 44 | 107.5 Ų | 107.5 | 45% | 0.454 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -147 | 106.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 242 | G | 37 | Very low | 41.8 | Very low | 64 Ų | 64 | 102.5 Ų | 102.5 | 66% | 0.66 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 96.5 | 97.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R244 | G242-R244 PolarHBondContact O-N 2.93Š|
| 243 | S | 34 | Very low | 43.2 | Very low | 111 Ų | 111 | 104.4 Ų | 104.4 | 78% | 0.776 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 73.5 | 14 | 157.8 | -47 | 0 | 0 | 0 | 0 | 120.1 | A245 | S243-A245 PolarHBondContact O-N 2.69Š|
| 244 | R | 33.9 | Very low | 45.6 | Very low | 154 Ų | 154 | 107.3 Ų | 107.3 | 58% | 0.581 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 6.3 | 157 | -96.7 | -167.3 | 163 | 179.5 | -1.5 | 114.9 | G242 Q246 | G242-R244 PolarHBondContact O-N 2.93Å; R244-Q246 PolarHBondContact O-N 3.33Å |
| 245 | A | 40 | Very low | 47.1 | Very low | 57 Ų | 57 | 107.1 Ų | 107.1 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | -26.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | S243 K249 | S243-A245 PolarHBondContact O-N 2.69Å; A245-K249 VanDerWaalsContact CB-CE 3.44Å; A245-K249 VanDerWaalsContact CB-NZ 3.25Å; A245-K249 WeakPolarHBondContact O-CB 3.36Å; A245-K249 WeakPolarHBondContact O-CD 3.27Å; A245-K249 WeakPolarHBondContact O-CE 3.49Å; A245-K249 WeakPolarHBondContact O-CG 3.3Å; A245-K249 PolarHBondContact O-NZ 3.26Å |
| 246 | Q | 40 | Very low | 49.2 | Very low | 138 Ų | 138 | 103.3 Ų | 103.3 | 65% | 0.645 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -24.1 | -167.4 | -154.5 | 86.1 | -23.5 | 0 | 0 | 116.9 | R244 K249 | R244-Q246 PolarHBondContact O-N 3.33Å; Q246-K249 VanDerWaalsContact OE1-NZ 3.1Å |
| 247 | E | 42.4 | Very low | 51.6 | Low | 178 Ų | 178 | 99.1 Ų | 99.1 | 83% | 0.832 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | -15 | -170.7 | -70.2 | -146.2 | 142.2 | 0 | 0 | 117.2 | K249 | E247-K249 VanDerWaalsContact C-N 3.32Š|
| 248 | Q | 43 | Very low | 54.3 | Low | 160 Ų | 160 | 99.4 Ų | 99.4 | 75% | 0.748 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -86.9 | -9.3 | 159.6 | -91.4 | 172.5 | -23.5 | 0 | 0 | 112.4 | Q252 | Q248-Q252 WeakPolarHBondContact O-CB 3.5Å; Q248-Q252 PolarHBondContact O-N 2.75Å |
| 249 | K | 49.7 | Very low | 56.8 | Low | 70 Ų | 70 | 101.7 Ų | 101.7 | 30% | 0.304 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | -178.6 | -106.7 | 176.8 | -148.1 | 154.3 | 0 | 113.8 | A245 Q246 E247 L251 Q253 | A245-K249 VanDerWaalsContact CB-CE 3.44Å; A245-K249 VanDerWaalsContact CB-NZ 3.25Å; A245-K249 WeakPolarHBondContact O-CB 3.36Å; A245-K249 WeakPolarHBondContact O-CD 3.27Å; A245-K249 WeakPolarHBondContact O-CE 3.49Å; A245-K249 WeakPolarHBondContact O-CG 3.3Å; A245-K249 PolarHBondContact O-NZ 3.26Å; Q246-K249 VanDerWaalsContact OE1-NZ 3.1Å; E247-K249 VanDerWaalsContact C-N 3.32Å; K249-L251 PolarHBondContact O-N 3.2Å; K249-Q253 HydrophobicContact CB-CG 4.3Å; K249-Q253 HydrophobicContact CG-CG 4.08Å; K249-Q253 WeakPolarHBondContact O-CA 3.3Å; K249-Q253 WeakPolarHBondContact O-CB 3.31Å; K249-Q253 WeakPolarHBondContact O-CG 3.23Å; K249-Q253 PolarHBondContact O-N 3.39Å; K249-Q253 PolarHBondContact O-OE1 3.44Å |
| 250 | P | 52.3 | Low | 59.1 | Low | 73 Ų | 73 | 103.7 Ų | 103.7 | 47% | 0.474 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.3 | -43.5 | -172 | 24.7 | -31.8 | 0 | 0 | 0 | 112.4 | L254 | P250-L254 WeakPolarHBondContact O-CB 3.26Å; P250-L254 WeakPolarHBondContact O-CD1 3.37Å; P250-L254 VanDerWaalsContact O-CG 3.3Å; P250-L254 WeakPolarHBondContact O-CG 3.46Å; P250-L254 PolarHBondContact O-N 3.2Å |
| 251 | L | 62.9 | Low | 61.8 | Low | 121 Ų | 121 | 100.7 Ų | 100.7 | 63% | 0.634 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73 | -44.4 | 180 | -83 | 163.8 | 0 | 0 | 0 | 112.4 | K249 L254 W255 | K249-L251 PolarHBondContact O-N 3.2Å; L251-L254 WeakPolarHBondContact O-CB 3.49Å; L251-L254 PolarHBondContact O-N 2.88Å; L251-W255 PolarHBondContact O-N 3.13Å |
| 252 | Q | 62.8 | Low | 64.3 | Low | 118 Ų | 118 | 100.6 Ų | 100.6 | 55% | 0.551 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.5 | -35.7 | 178 | -165.4 | 70.6 | 5.1 | 0 | 0 | 111.6 | Q248 W255 N256 | Q248-Q252 WeakPolarHBondContact O-CB 3.5Å; Q248-Q252 PolarHBondContact O-N 2.75Å; Q252-W255 PolarHBondContact O-N 3.38Å; Q252-N256 VanDerWaalsContact O-CB 3.29Å; Q252-N256 WeakPolarHBondContact O-CB 2.8Å; Q252-N256 PolarHBondContact O-N 3.09Å; Q252-N256 PolarHBondContact O-ND2 3.36Å; Q252-N256 PolarHBondContact O-OD1 2.93Å |
| 253 | Q | 68.1 | Low | 66.7 | Low | 106 Ų | 106 | 103.3 Ų | 103.3 | 50% | 0.495 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.8 | -34.7 | 171.5 | -67.8 | 172.9 | -40 | 0 | 0 | 111.5 | K249 N256 A257 | K249-Q253 HydrophobicContact CB-CG 4.3Å; K249-Q253 HydrophobicContact CG-CG 4.08Å; K249-Q253 WeakPolarHBondContact O-CA 3.3Å; K249-Q253 WeakPolarHBondContact O-CB 3.31Å; K249-Q253 WeakPolarHBondContact O-CG 3.23Å; K249-Q253 PolarHBondContact O-N 3.39Å; K249-Q253 PolarHBondContact O-OE1 3.44Å; Q253-N256 PolarHBondContact O-N 3.49Å; Q253-A257 WeakPolarHBondContact O-CB 2.8Å; Q253-A257 PolarHBondContact O-N 3.25Å |
| 254 | L | 82.7 | Confident | 69.5 | Low | 97 Ų | 97 | 103.4 Ų | 103.4 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 170.6 | -94.2 | 157.4 | 0 | 0 | 0 | 110.9 | P250 L251 A257 I258 | P250-L254 WeakPolarHBondContact O-CB 3.26Å; P250-L254 WeakPolarHBondContact O-CD1 3.37Å; P250-L254 VanDerWaalsContact O-CG 3.3Å; P250-L254 WeakPolarHBondContact O-CG 3.46Å; P250-L254 PolarHBondContact O-N 3.2Å; L251-L254 WeakPolarHBondContact O-CB 3.49Å; L251-L254 PolarHBondContact O-N 2.88Å; L254-A257 PolarHBondContact O-N 3.18Å; L254-I258 WeakPolarHBondContact O-CB 3.38Å; L254-I258 WeakPolarHBondContact O-CD1 3.42Å; L254-I258 WeakPolarHBondContact O-CG1 3.27Å; L254-I258 PolarHBondContact O-N 3.04Å |
| 255 | W | 79.6 | Confident | 72.3 | Confident | 152 Ų | 152 | 101.3 Ų | 101.3 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -42.6 | 176.6 | -83.3 | 105.7 | 0 | 0 | 0 | 112.4 | L251 Q252 A257 I258 L259 | L251-W255 PolarHBondContact O-N 3.13Å; Q252-W255 PolarHBondContact O-N 3.38Å; W255-A257 VanDerWaalsContact C-N 3.32Å; W255-A257 PolarHBondContact O-N 2.91Å; W255-I258 PolarHBondContact O-N 3.07Å; W255-L259 WeakPolarHBondContact O-CB 2.81Å; W255-L259 VanDerWaalsContact O-CG 3.26Å; W255-L259 WeakPolarHBondContact O-CG 3.31Å; W255-L259 PolarHBondContact O-N 3.43Å |
| 256 | N | 79.5 | Confident | 74.7 | Confident | 78 Ų | 78 | 102 Ų | 102 | 42% | 0.417 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -36.7 | 175.2 | -68.8 | -14.3 | 0 | 0 | 0 | 111.7 | Q252 Q253 L260 | Q252-N256 VanDerWaalsContact O-CB 3.29Å; Q252-N256 WeakPolarHBondContact O-CB 2.8Å; Q252-N256 PolarHBondContact O-N 3.09Å; Q252-N256 PolarHBondContact O-ND2 3.36Å; Q252-N256 PolarHBondContact O-OD1 2.93Å; Q253-N256 PolarHBondContact O-N 3.49Å; N256-L260 VanDerWaalsContact O-CB 3.3Å; N256-L260 WeakPolarHBondContact O-CB 3.36Å; N256-L260 PolarHBondContact O-N 2.99Å |
| 257 | A | 86.3 | Confident | 77 | Confident | 48 Ų | 48 | 98.9 Ų | 98.9 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.1 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q253 L254 W255 L260 V261 | Q253-A257 WeakPolarHBondContact O-CB 2.8Å; Q253-A257 PolarHBondContact O-N 3.25Å; L254-A257 PolarHBondContact O-N 3.18Å; W255-A257 VanDerWaalsContact C-N 3.32Å; W255-A257 PolarHBondContact O-N 2.91Å; A257-L260 PolarHBondContact O-N 2.84Å; A257-V261 WeakPolarHBondContact O-CB 3.13Å; A257-V261 VanDerWaalsContact O-CG2 3.26Å; A257-V261 WeakPolarHBondContact O-CG2 3.43Å; A257-V261 PolarHBondContact O-N 2.84Å |
| 258 | I | 91.6 | Very high | 79.3 | Confident | 90 Ų | 90 | 91.8 Ų | 91.8 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 174.8 | -69.6 | 162.5 | 0 | 0 | 0 | 110.1 | L254 W255 V261 A262 | L254-I258 WeakPolarHBondContact O-CB 3.38Å; L254-I258 WeakPolarHBondContact O-CD1 3.42Å; L254-I258 WeakPolarHBondContact O-CG1 3.27Å; L254-I258 PolarHBondContact O-N 3.04Å; W255-I258 PolarHBondContact O-N 3.07Å; I258-V261 PolarHBondContact O-N 3.33Å; I258-A262 VanDerWaalsContact O-CB 3.31Å; I258-A262 WeakPolarHBondContact O-CB 3.4Å; I258-A262 PolarHBondContact O-N 3.35Å |
| 259 | L | 87.9 | Confident | 81.5 | Confident | 100 Ų | 100 | 89.5 Ų | 89.5 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176.4 | -72.3 | 173.3 | 0 | 0 | 0 | 111.6 | W255 A262 M263 | W255-L259 WeakPolarHBondContact O-CB 2.81Å; W255-L259 VanDerWaalsContact O-CG 3.26Å; W255-L259 WeakPolarHBondContact O-CG 3.31Å; W255-L259 PolarHBondContact O-N 3.43Å; L259-A262 PolarHBondContact O-N 3.17Å; L259-M263 WeakPolarHBondContact O-CB 2.98Å; L259-M263 VanDerWaalsContact O-CG 3.23Å; L259-M263 WeakPolarHBondContact O-CG 2.93Å; L259-M263 PolarHBondContact O-N 2.86Å |
| 260 | L | 88.9 | Confident | 83.3 | Confident | 73 Ų | 73 | 89.9 Ų | 89.9 | 38% | 0.382 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 174.2 | -94.7 | 166.7 | 0 | 0 | 0 | 112 | L34 N256 A257 A262 M263 L264 | L34-L260 HydrophobicContact CD2-CD1 4.05Å; L34-L260 HydrophobicContact CD2-CD2 3.98Å; L34-L260 HydrophobicContact CD2-CG 4.46Å; N256-L260 VanDerWaalsContact O-CB 3.3Å; N256-L260 WeakPolarHBondContact O-CB 3.36Å; N256-L260 PolarHBondContact O-N 2.99Å; A257-L260 PolarHBondContact O-N 2.84Å; L260-A262 VanDerWaalsContact C-N 3.35Å; L260-M263 PolarHBondContact O-N 2.9Å; L260-L264 WeakPolarHBondContact O-CB 3.32Å; L260-L264 VanDerWaalsContact O-CG 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.48Å; L260-L264 PolarHBondContact O-N 2.82Å |
| 261 | V | 93.6 | Very high | 85 | Confident | 82 Ų | 82 | 89.2 Ų | 89.2 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 177 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | A257 I258 M263 L264 L265 | A257-V261 WeakPolarHBondContact O-CB 3.13Å; A257-V261 VanDerWaalsContact O-CG2 3.26Å; A257-V261 WeakPolarHBondContact O-CG2 3.43Å; A257-V261 PolarHBondContact O-N 2.84Å; I258-V261 PolarHBondContact O-N 3.33Å; V261-M263 PolarHBondContact O-N 2.87Å; V261-L264 PolarHBondContact O-N 2.96Å; V261-L265 HydrophobicContact CG1-CD1 3.91Å; V261-L265 HydrophobicContact CG1-CG 4.35Å; V261-L265 WeakPolarHBondContact O-CB 2.89Å; V261-L265 VanDerWaalsContact O-CG 3.27Å; V261-L265 WeakPolarHBondContact O-CG 3.42Å; V261-L265 PolarHBondContact O-N 2.91Å |
| 262 | A | 93.7 | Very high | 86 | Confident | 43 Ų | 43 | 89 Ų | 89 | 36% | 0.355 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I258 L259 L260 L265 C266 | I258-A262 VanDerWaalsContact O-CB 3.31Å; I258-A262 WeakPolarHBondContact O-CB 3.4Å; I258-A262 PolarHBondContact O-N 3.35Å; L259-A262 PolarHBondContact O-N 3.17Å; L260-A262 VanDerWaalsContact C-N 3.35Å; A262-L265 PolarHBondContact O-N 2.77Å; A262-C266 VanDerWaalsContact O-CB 3.31Å; A262-C266 WeakPolarHBondContact O-CB 3.16Å; A262-C266 PolarHBondContact O-N 3.11Å; A262-C266 PolarHBondContact O-SG 2.99Å |
| 263 | M | 88.8 | Confident | 87 | Confident | 120 Ų | 120 | 86 Ų | 86 | 59% | 0.591 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.2 | -37.5 | 176.7 | -72.6 | -60.4 | -68.3 | 0 | 0 | 112.5 | L259 L260 V261 T267 | L259-M263 WeakPolarHBondContact O-CB 2.98Å; L259-M263 VanDerWaalsContact O-CG 3.23Å; L259-M263 WeakPolarHBondContact O-CG 2.93Å; L259-M263 PolarHBondContact O-N 2.86Å; L260-M263 PolarHBondContact O-N 2.9Å; V261-M263 PolarHBondContact O-N 2.87Å; M263-T267 WeakPolarHBondContact O-CB 3.29Å; M263-T267 VanDerWaalsContact O-CG2 3.24Å; M263-T267 WeakPolarHBondContact O-CG2 3.36Å; M263-T267 PolarHBondContact O-N 2.87Å; M263-T267 PolarHBondContact O-OG1 3.01Å |
| 264 | L | 91.9 | Very high | 87.4 | Confident | 113 Ų | 113 | 87 Ų | 87 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.8 | -38.7 | 174.6 | -72.3 | 171.2 | 0 | 0 | 0 | 112.1 | L260 V261 T267 G268 | L260-L264 WeakPolarHBondContact O-CB 3.32Å; L260-L264 VanDerWaalsContact O-CG 3.26Å; L260-L264 WeakPolarHBondContact O-CG 3.48Å; L260-L264 PolarHBondContact O-N 2.82Å; V261-L264 PolarHBondContact O-N 2.96Å; L264-T267 WeakPolarHBondContact CA-OG1 3.26Å; L264-T267 PolarHBondContact O-OG1 3.47Å; L264-T267 VanDerWaalsContact O-OG1 3.07Å; L264-G268 PolarHBondContact O-N 3.41Å |
| 265 | L | 93.3 | Very high | 87.1 | Confident | 111 Ų | 111 | 90.1 Ų | 90.1 | 58% | 0.581 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.8 | -45.3 | 174.1 | -71.5 | 171.4 | 0 | 0 | 0 | 111.2 | V261 A262 G268 L269 | V261-L265 HydrophobicContact CG1-CD1 3.91Å; V261-L265 HydrophobicContact CG1-CG 4.35Å; V261-L265 WeakPolarHBondContact O-CB 2.89Å; V261-L265 VanDerWaalsContact O-CG 3.27Å; V261-L265 WeakPolarHBondContact O-CG 3.42Å; V261-L265 PolarHBondContact O-N 2.91Å; A262-L265 PolarHBondContact O-N 2.77Å; L265-G268 PolarHBondContact O-N 2.85Å; L265-L269 WeakPolarHBondContact O-CB 2.98Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.21Å; L265-L269 PolarHBondContact O-N 3.13Å |
| 266 | C | 90 | Very high | 86.9 | Confident | 71 Ų | 71 | 89.4 Ų | 89.4 | 48% | 0.48 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -45.7 | 177.3 | -72.4 | 0 | 0 | 0 | 0 | 111.8 | A262 G268 L269 V270 | A262-C266 VanDerWaalsContact O-CB 3.31Å; A262-C266 WeakPolarHBondContact O-CB 3.16Å; A262-C266 PolarHBondContact O-N 3.11Å; A262-C266 PolarHBondContact O-SG 2.99Å; C266-G268 VanDerWaalsContact C-N 3.35Å; C266-L269 PolarHBondContact O-N 3.45Å; C266-V270 WeakPolarHBondContact O-CB 3.42Å; C266-V270 VanDerWaalsContact O-CG2 3.27Å; C266-V270 WeakPolarHBondContact O-CG2 3.37Å; C266-V270 PolarHBondContact O-N 2.96Å |
| 267 | T | 88.1 | Confident | 86.7 | Confident | 72 Ų | 72 | 88.5 Ų | 88.5 | 44% | 0.442 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 175 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | M263 L264 V270 V271 | M263-T267 WeakPolarHBondContact O-CB 3.29Å; M263-T267 VanDerWaalsContact O-CG2 3.24Å; M263-T267 WeakPolarHBondContact O-CG2 3.36Å; M263-T267 PolarHBondContact O-N 2.87Å; M263-T267 PolarHBondContact O-OG1 3.01Å; L264-T267 WeakPolarHBondContact CA-OG1 3.26Å; L264-T267 PolarHBondContact O-OG1 3.47Å; L264-T267 VanDerWaalsContact O-OG1 3.07Å; T267-V270 PolarHBondContact O-N 3.01Å; T267-V271 VanDerWaalsContact O-CB 3.32Å; T267-V271 WeakPolarHBondContact O-CB 3.5Å; T267-V271 WeakPolarHBondContact O-CG2 3.41Å; T267-V271 PolarHBondContact O-N 2.72Å |
| 268 | G | 89.9 | Confident | 86 | Confident | 29 Ų | 29 | 89.4 Ų | 89.4 | 30% | 0.299 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | L264 L265 C266 V271 Q272 | L264-G268 PolarHBondContact O-N 3.41Å; L265-G268 PolarHBondContact O-N 2.85Å; C266-G268 VanDerWaalsContact C-N 3.35Å; G268-V271 PolarHBondContact O-N 3.03Å; G268-Q272 VanDerWaalsContact O-CB 3.3Å; G268-Q272 WeakPolarHBondContact O-CB 3.3Å; G268-Q272 WeakPolarHBondContact O-CG 3.46Å; G268-Q272 PolarHBondContact O-N 3.12Å |
| 269 | L | 90.8 | Very high | 85 | Confident | 112 Ų | 112 | 93.1 Ų | 93.1 | 59% | 0.586 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.9 | -41.8 | 177.1 | -69.9 | 175.8 | 0 | 0 | 0 | 111.8 | L265 C266 Q272 A273 | L265-L269 WeakPolarHBondContact O-CB 2.98Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.21Å; L265-L269 PolarHBondContact O-N 3.13Å; C266-L269 PolarHBondContact O-N 3.45Å; L269-Q272 PolarHBondContact O-N 3.34Å; L269-A273 VanDerWaalsContact O-CB 3.27Å; L269-A273 WeakPolarHBondContact O-CB 3.5Å; L269-A273 PolarHBondContact O-N 3.13Å |
| 270 | V | 87.1 | Confident | 84.1 | Confident | 79 Ų | 79 | 93.9 Ų | 93.9 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.6 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | C266 T267 A273 Q274 | C266-V270 WeakPolarHBondContact O-CB 3.42Å; C266-V270 VanDerWaalsContact O-CG2 3.27Å; C266-V270 WeakPolarHBondContact O-CG2 3.37Å; C266-V270 PolarHBondContact O-N 2.96Å; T267-V270 PolarHBondContact O-N 3.01Å; V270-A273 PolarHBondContact O-N 3.28Å; V270-Q274 HydrophobicContact CG1-CG 4.4Å; V270-Q274 WeakPolarHBondContact O-CB 3.3Å; V270-Q274 VanDerWaalsContact O-CG 3.29Å; V270-Q274 WeakPolarHBondContact O-CG 3.15Å; V270-Q274 PolarHBondContact O-N 3.01Å |
| 271 | V | 88.1 | Confident | 82.8 | Confident | 59 Ų | 59 | 94 Ų | 94 | 36% | 0.358 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67 | -37.1 | 176.8 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | T267 G268 R275 | T267-V271 VanDerWaalsContact O-CB 3.32Å; T267-V271 WeakPolarHBondContact O-CB 3.5Å; T267-V271 WeakPolarHBondContact O-CG2 3.41Å; T267-V271 PolarHBondContact O-N 2.72Å; G268-V271 PolarHBondContact O-N 3.03Å; V271-R275 HydrophobicContact CG1-CG 4.34Å; V271-R275 WeakPolarHBondContact O-CB 3.44Å; V271-R275 WeakPolarHBondContact O-CG 3.45Å; V271-R275 PolarHBondContact O-N 3.39Å |
| 272 | Q | 83.9 | Confident | 81.3 | Confident | 115 Ų | 115 | 96.7 Ų | 96.7 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 173.7 | -77.6 | 177.6 | -8.6 | 0 | 0 | 111.5 | G268 L269 R275 Q276 | G268-Q272 VanDerWaalsContact O-CB 3.3Å; G268-Q272 WeakPolarHBondContact O-CB 3.3Å; G268-Q272 WeakPolarHBondContact O-CG 3.46Å; G268-Q272 PolarHBondContact O-N 3.12Å; L269-Q272 PolarHBondContact O-N 3.34Å; Q272-R275 PolarHBondContact O-N 3.35Å; Q272-Q276 WeakPolarHBondContact O-CB 3.46Å; Q272-Q276 VanDerWaalsContact O-CG 3.27Å; Q272-Q276 WeakPolarHBondContact O-CG 3.43Å; Q272-Q276 PolarHBondContact O-N 3Å |
| 273 | A | 82.6 | Confident | 79.7 | Confident | 56 Ų | 56 | 104.3 Ų | 104.3 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L269 V270 Q276 A277 | L269-A273 VanDerWaalsContact O-CB 3.27Å; L269-A273 WeakPolarHBondContact O-CB 3.5Å; L269-A273 PolarHBondContact O-N 3.13Å; V270-A273 PolarHBondContact O-N 3.28Å; A273-Q276 PolarHBondContact O-N 3.49Å; A273-A277 WeakPolarHBondContact O-CB 3.24Å; A273-A277 PolarHBondContact O-N 3.21Å |
| 274 | Q | 78.1 | Confident | 78.6 | Confident | 127 Ų | 127 | 104.4 Ų | 104.4 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66 | -40.2 | 175.1 | -74.8 | -179.2 | -11.1 | 0 | 0 | 112.1 | V270 S278 | V270-Q274 HydrophobicContact CG1-CG 4.4Å; V270-Q274 WeakPolarHBondContact O-CB 3.3Å; V270-Q274 VanDerWaalsContact O-CG 3.29Å; V270-Q274 WeakPolarHBondContact O-CG 3.15Å; V270-Q274 PolarHBondContact O-N 3.01Å; Q274-S278 WeakPolarHBondContact O-CB 2.75Å; Q274-S278 PolarHBondContact O-N 2.96Å |
| 275 | R | 76.3 | Confident | 77.3 | Confident | 162 Ų | 162 | 104.3 Ų | 104.3 | 61% | 0.611 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.5 | -37.3 | 174.1 | -78.3 | 176.2 | -178.6 | -173.8 | 2.3 | 111.7 | V271 Q272 R279 | V271-R275 HydrophobicContact CG1-CG 4.34Å; V271-R275 WeakPolarHBondContact O-CB 3.44Å; V271-R275 WeakPolarHBondContact O-CG 3.45Å; V271-R275 PolarHBondContact O-N 3.39Å; Q272-R275 PolarHBondContact O-N 3.35Å; R275-R279 WeakPolarHBondContact O-CB 3.45Å; R275-R279 WeakPolarHBondContact O-CG 3.47Å; R275-R279 PolarHBondContact O-N 2.81Å |
| 276 | Q | 75.4 | Confident | 76 | Confident | 138 Ų | 138 | 100.5 Ų | 100.5 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.2 | -46.2 | 175.6 | -78.2 | -178.7 | -11.1 | 0 | 0 | 111.1 | Q272 A273 S278 R279 Q280 | Q272-Q276 WeakPolarHBondContact O-CB 3.46Å; Q272-Q276 VanDerWaalsContact O-CG 3.27Å; Q272-Q276 WeakPolarHBondContact O-CG 3.43Å; Q272-Q276 PolarHBondContact O-N 3Å; A273-Q276 PolarHBondContact O-N 3.49Å; Q276-S278 PolarHBondContact O-N 2.96Å; Q276-R279 PolarHBondContact O-N 2.87Å; Q276-Q280 WeakPolarHBondContact O-CB 3.49Å; Q276-Q280 PolarHBondContact O-N 2.86Å |
| 277 | A | 75.3 | Confident | 75.1 | Confident | 59 Ų | 59 | 98.6 Ų | 98.6 | 49% | 0.488 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A273 Q280 S281 | A273-A277 WeakPolarHBondContact O-CB 3.24Å; A273-A277 PolarHBondContact O-N 3.21Å; A277-Q280 PolarHBondContact O-N 2.88Å; A277-S281 PolarHBondContact O-N 3.26Å |
| 278 | S | 71.8 | Confident | 74.2 | Confident | 67 Ų | 67 | 101.7 Ų | 101.7 | 47% | 0.469 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 112.2 | Q274 Q276 Q280 S281 Q282 | Q274-S278 WeakPolarHBondContact O-CB 2.75Å; Q274-S278 PolarHBondContact O-N 2.96Å; Q276-S278 PolarHBondContact O-N 2.96Å; S278-Q280 VanDerWaalsContact C-N 3.33Å; S278-Q280 PolarHBondContact O-N 2.94Å; S278-S281 PolarHBondContact O-N 2.73Å; S278-Q282 WeakPolarHBondContact O-CB 3.41Å; S278-Q282 PolarHBondContact O-N 3.42Å |
| 279 | R | 68.9 | Low | 73.3 | Confident | 167 Ų | 167 | 103.4 Ų | 103.4 | 63% | 0.63 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.8 | -36.3 | 173.3 | -79.5 | 177.2 | 179.3 | -163.1 | 0.5 | 112.2 | R275 Q276 R283 | R275-R279 WeakPolarHBondContact O-CB 3.45Å; R275-R279 WeakPolarHBondContact O-CG 3.47Å; R275-R279 PolarHBondContact O-N 2.81Å; Q276-R279 PolarHBondContact O-N 2.87Å; R279-R283 WeakPolarHBondContact O-CB 3.26Å; R279-R283 WeakPolarHBondContact O-CG 3.34Å; R279-R283 PolarHBondContact O-N 3.39Å |
| 280 | Q | 68.8 | Low | 72.6 | Confident | 117 Ų | 117 | 102.3 Ų | 102.3 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.3 | -47.4 | 175.4 | -174.5 | 172 | -13.2 | 0 | 0 | 110.7 | Q276 A277 S278 Q282 R283 E284 | Q276-Q280 WeakPolarHBondContact O-CB 3.49Å; Q276-Q280 PolarHBondContact O-N 2.86Å; A277-Q280 PolarHBondContact O-N 2.88Å; S278-Q280 VanDerWaalsContact C-N 3.33Å; S278-Q280 PolarHBondContact O-N 2.94Å; Q280-Q282 PolarHBondContact O-N 3.24Å; Q280-R283 PolarHBondContact O-N 3.16Å; Q280-R283 VanDerWaalsContact O-N 3.17Å; Q280-E284 PolarHBondContact NE2-OE1 3.24Å; Q280-E284 WeakPolarHBondContact O-CG 3.24Å; Q280-E284 PolarHBondContact O-N 3.36Å |
| 281 | S | 62.2 | Low | 72.2 | Confident | 74 Ų | 74 | 103.9 Ų | 103.9 | 52% | 0.517 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 112.6 | A277 S278 E284 L285 | A277-S281 PolarHBondContact O-N 3.26Å; S278-S281 PolarHBondContact O-N 2.73Å; S281-E284 PolarHBondContact O-N 3.06Å; S281-L285 WeakPolarHBondContact O-CB 3.47Å; S281-L285 PolarHBondContact O-N 3.48Å |
| 282 | Q | 62.3 | Low | 71.6 | Confident | 139 Ų | 139 | 106.3 Ų | 106.3 | 65% | 0.65 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.8 | -35.3 | 175 | -80.6 | -167.2 | -31.5 | 0 | 0 | 113.2 | S278 Q280 G286 | S278-Q282 WeakPolarHBondContact O-CB 3.41Å; S278-Q282 PolarHBondContact O-N 3.42Å; Q280-Q282 PolarHBondContact O-N 3.24Å; Q282-G286 PolarHBondContact O-N 3.19Å |
| 283 | R | 61.3 | Low | 71.3 | Confident | 203 Ų | 203 | 106 Ų | 106 | 77% | 0.766 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.3 | -39.5 | 175.9 | -83.9 | -179.8 | 172.2 | 172.1 | -2.7 | 112.3 | R279 Q280 G287 | R279-R283 WeakPolarHBondContact O-CB 3.26Å; R279-R283 WeakPolarHBondContact O-CG 3.34Å; R279-R283 PolarHBondContact O-N 3.39Å; Q280-R283 PolarHBondContact O-N 3.16Å; Q280-R283 VanDerWaalsContact O-N 3.17Å; R283-G287 PolarHBondContact O-N 2.82Å |
| 284 | E | 64.3 | Low | 71.2 | Confident | 122 Ų | 122 | 111.7 Ų | 111.7 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.2 | -46 | 175.9 | -74.4 | 173.8 | -178.9 | 0 | 0 | 110.9 | Q280 S281 G287 Q288 | Q280-E284 PolarHBondContact NE2-OE1 3.24Å; Q280-E284 WeakPolarHBondContact O-CG 3.24Å; Q280-E284 PolarHBondContact O-N 3.36Å; S281-E284 PolarHBondContact O-N 3.06Å; E284-G287 PolarHBondContact O-N 2.88Å; E284-Q288 WeakPolarHBondContact O-CB 3.36Å; E284-Q288 PolarHBondContact O-N 3.46Å |
| 285 | L | 64.3 | Low | 71.3 | Confident | 112 Ų | 112 | 113.6 Ų | 113.6 | 59% | 0.586 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.2 | -43.4 | 175.9 | -172 | 64.6 | 0 | 0 | 0 | 111.9 | S281 Q288 V289 | S281-L285 WeakPolarHBondContact O-CB 3.47Å; S281-L285 PolarHBondContact O-N 3.48Å; L285-Q288 PolarHBondContact O-N 3.09Å; L285-V289 VanDerWaalsContact O-CG2 3.27Å; L285-V289 WeakPolarHBondContact O-CG2 3.46Å; L285-V289 PolarHBondContact O-N 2.84Å |
| 286 | G | 66.7 | Low | 71.4 | Confident | 30 Ų | 30 | 106.1 Ų | 106.1 | 31% | 0.309 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q282 Q288 V289 D290 | Q282-G286 PolarHBondContact O-N 3.19Å; G286-Q288 PolarHBondContact O-N 2.89Å; G286-V289 PolarHBondContact O-N 3.24Å; G286-D290 PolarHBondContact O-N 3.08Å |
| 287 | G | 70.9 | Confident | 71.7 | Confident | 32 Ų | 32 | 103.3 Ų | 103.3 | 33% | 0.33 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R283 E284 D290 L291 | R283-G287 PolarHBondContact O-N 2.82Å; E284-G287 PolarHBondContact O-N 2.88Å; G287-D290 PolarHBondContact O-N 2.81Å; G287-L291 WeakPolarHBondContact O-CB 3.18Å; G287-L291 VanDerWaalsContact O-CG 3.27Å; G287-L291 WeakPolarHBondContact O-CG 3.4Å; G287-L291 PolarHBondContact O-N 2.86Å |
| 288 | Q | 69.9 | Low | 72 | Confident | 137 Ų | 137 | 109.8 Ų | 109.8 | 64% | 0.64 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 175.5 | -173.1 | 173.1 | -0.7 | 0 | 0 | 112 | E284 L285 G286 F292 | E284-Q288 WeakPolarHBondContact O-CB 3.36Å; E284-Q288 PolarHBondContact O-N 3.46Å; L285-Q288 PolarHBondContact O-N 3.09Å; G286-Q288 PolarHBondContact O-N 2.89Å; Q288-F292 WeakPolarHBondContact O-CB 3.24Å; Q288-F292 PolarHBondContact O-N 2.78Å |
| 289 | V | 69.9 | Low | 72.4 | Confident | 64 Ų | 64 | 112.4 Ų | 112.4 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 176.4 | 172 | 0 | 0 | 0 | 0 | 111.5 | L285 G286 F292 K293 | L285-V289 VanDerWaalsContact O-CG2 3.27Å; L285-V289 WeakPolarHBondContact O-CG2 3.46Å; L285-V289 PolarHBondContact O-N 2.84Å; G286-V289 PolarHBondContact O-N 3.24Å; V289-F292 PolarHBondContact O-N 3.24Å; V289-K293 HydrophobicContact CG1-CD 4.36Å; V289-K293 WeakPolarHBondContact O-CG 3.33Å; V289-K293 PolarHBondContact O-N 2.85Å |
| 290 | D | 76.1 | Confident | 73 | Confident | 89 Ų | 89 | 104.8 Ų | 104.8 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.4 | -39.1 | 178.6 | -77.6 | -18.2 | 0 | 0 | 0 | 112.5 | G286 G287 F292 K293 R294 | G286-D290 PolarHBondContact O-N 3.08Å; G287-D290 PolarHBondContact O-N 2.81Å; D290-F292 VanDerWaalsContact C-N 3.33Å; D290-K293 PolarHBondContact O-N 3.2Å; D290-R294 WeakPolarHBondContact O-CB 3.38Å; D290-R294 VanDerWaalsContact O-CG 3.3Å; D290-R294 WeakPolarHBondContact O-CG 3.27Å; D290-R294 PolarHBondContact O-N 2.81Å |
| 291 | L | 78.6 | Confident | 73.4 | Confident | 113 Ų | 113 | 102.5 Ų | 102.5 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.5 | -40.3 | 172.3 | -74.4 | 173.6 | 0 | 0 | 0 | 111.6 | G287 R294 R295 | G287-L291 WeakPolarHBondContact O-CB 3.18Å; G287-L291 VanDerWaalsContact O-CG 3.27Å; G287-L291 WeakPolarHBondContact O-CG 3.4Å; G287-L291 PolarHBondContact O-N 2.86Å; L291-R294 PolarHBondContact O-N 2.85Å; L291-R295 WeakPolarHBondContact O-CB 3.36Å; L291-R295 PolarHBondContact O-N 3.42Å |
| 292 | F | 75.8 | Confident | 74.2 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -49.1 | 175.2 | -178.2 | -98.5 | 0 | 0 | 0 | 111.5 | Q288 V289 D290 R294 R295 V296 | Q288-F292 WeakPolarHBondContact O-CB 3.24Å; Q288-F292 PolarHBondContact O-N 2.78Å; V289-F292 PolarHBondContact O-N 3.24Å; D290-F292 VanDerWaalsContact C-N 3.33Å; F292-R294 VanDerWaalsContact C-N 3.33Å; F292-R294 PolarHBondContact O-N 2.93Å; F292-R295 WeakPolarHBondContact O-CB 3.08Å; F292-R295 PolarHBondContact O-N 2.95Å; F292-R295 VanDerWaalsContact O-N 3.09Å; F292-V296 HydrophobicContact CD1-CG2 4.19Å; F292-V296 HydrophobicContact CE1-CG2 3.89Å; F292-V296 HydrophobicContact CE2-CG2 4.49Å; F292-V296 HydrophobicContact CZ-CG2 4.08Å; F292-V296 WeakPolarHBondContact O-CG2 3.44Å; F292-V296 PolarHBondContact O-N 3.08Å |
| 293 | K | 78.3 | Confident | 75.1 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 47% | 0.465 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56 | -45.9 | 174.4 | -75.1 | 176.3 | -178.2 | 174.9 | 0 | 111.6 | V289 D290 R295 V296 V297 M357 | V289-K293 HydrophobicContact CG1-CD 4.36Å; V289-K293 WeakPolarHBondContact O-CG 3.33Å; V289-K293 PolarHBondContact O-N 2.85Å; D290-K293 PolarHBondContact O-N 3.2Å; K293-R295 VanDerWaalsContact C-N 3.32Å; K293-R295 PolarHBondContact O-N 3.04Å; K293-V296 PolarHBondContact O-N 2.79Å; K293-V297 VanDerWaalsContact O-CG2 3.31Å; K293-V297 WeakPolarHBondContact O-CG2 3.48Å; K293-V297 PolarHBondContact O-N 3.35Å; K293-M357 HydrophobicContact CB-CE 4.37Å; K293-M357 HydrophobicContact CG-CE 4.36Å |
| 294 | R | 80.1 | Confident | 76.1 | Confident | 177 Ų | 177 | 96.3 Ų | 96.3 | 67% | 0.668 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.7 | -40.6 | 176.1 | -76.2 | 176.5 | -178.2 | -166.8 | 1.6 | 112.3 | D290 L291 F292 R298 | D290-R294 WeakPolarHBondContact O-CB 3.38Å; D290-R294 VanDerWaalsContact O-CG 3.3Å; D290-R294 WeakPolarHBondContact O-CG 3.27Å; D290-R294 PolarHBondContact O-N 2.81Å; L291-R294 PolarHBondContact O-N 2.85Å; F292-R294 VanDerWaalsContact C-N 3.33Å; F292-R294 PolarHBondContact O-N 2.93Å; R294-R298 WeakPolarHBondContact O-CB 3.18Å; R294-R298 PolarHBondContact O-N 3.47Å |
| 295 | R | 80.6 | Confident | 77 | Confident | 167 Ų | 167 | 93.1 Ų | 93.1 | 63% | 0.63 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.5 | -43.1 | 177.7 | -170.6 | -179.4 | -69 | 177.4 | -1.7 | 111.5 | L291 F292 K293 R298 R299 | L291-R295 WeakPolarHBondContact O-CB 3.36Å; L291-R295 PolarHBondContact O-N 3.42Å; F292-R295 WeakPolarHBondContact O-CB 3.08Å; F292-R295 PolarHBondContact O-N 2.95Å; F292-R295 VanDerWaalsContact O-N 3.09Å; K293-R295 VanDerWaalsContact C-N 3.32Å; K293-R295 PolarHBondContact O-N 3.04Å; R295-R298 PolarHBondContact O-N 3.09Å; R295-R299 PolarHBondContact O-N 3.37Å; R295-R299 VanDerWaalsContact O-N 3.13Å |
| 296 | V | 78 | Confident | 77.8 | Confident | 5 Ų | 5 | 93.3 Ų | 93.3 | 3% | 0.03 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.5 | -50.4 | 177.2 | 175 | 0 | 0 | 0 | 0 | 110.8 | F292 K293 R298 R299 L300 M357 L370 | F292-V296 HydrophobicContact CD1-CG2 4.19Å; F292-V296 HydrophobicContact CE1-CG2 3.89Å; F292-V296 HydrophobicContact CE2-CG2 4.49Å; F292-V296 HydrophobicContact CZ-CG2 4.08Å; F292-V296 WeakPolarHBondContact O-CG2 3.44Å; F292-V296 PolarHBondContact O-N 3.08Å; K293-V296 PolarHBondContact O-N 2.79Å; V296-R298 VanDerWaalsContact C-N 3.28Å; V296-R298 PolarHBondContact O-N 2.74Å; V296-R299 PolarHBondContact O-N 3.21Å; V296-R299 VanDerWaalsContact O-N 3.09Å; V296-L300 HydrophobicContact CG1-CD1 3.84Å; V296-L300 HydrophobicContact CG1-CG 4.18Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.93Å; V296-M357 HydrophobicContact CB-SD 4.3Å; V296-M357 HydrophobicContact CG1-SD 3.72Å; V296-L370 HydrophobicContact CB-CD1 4.48Å; V296-L370 HydrophobicContact CG1-CD1 4.02Å; V296-L370 HydrophobicContact CG2-CD1 4.14Å |
| 297 | V | 82.1 | Confident | 78.4 | Confident | 78 Ų | 78 | 97.9 Ų | 97.9 | 47% | 0.473 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56.4 | -42.5 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | K293 R299 L300 A301 M357 | K293-V297 VanDerWaalsContact O-CG2 3.31Å; K293-V297 WeakPolarHBondContact O-CG2 3.48Å; K293-V297 PolarHBondContact O-N 3.35Å; V297-R299 PolarHBondContact O-N 3.22Å; V297-L300 PolarHBondContact O-N 3.09Å; V297-A301 WeakPolarHBondContact O-CB 3.47Å; V297-A301 PolarHBondContact O-N 3.04Å; V297-M357 HydrophobicContact CG2-CE 3.69Å; V297-M357 HydrophobicContact CG2-SD 3.53Å; V297-M357 VanDerWaalsContact CG2-SD 3.53Å |
| 298 | R | 82.2 | Confident | 78.6 | Confident | 196 Ų | 196 | 96.6 Ų | 96.6 | 74% | 0.74 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64.4 | -39.9 | 178.7 | -162.8 | -177.5 | -70.6 | 171 | -4.6 | 112 | R294 R295 V296 S302 | R294-R298 WeakPolarHBondContact O-CB 3.18Å; R294-R298 PolarHBondContact O-N 3.47Å; R295-R298 PolarHBondContact O-N 3.09Å; V296-R298 VanDerWaalsContact C-N 3.28Å; V296-R298 PolarHBondContact O-N 2.74Å; R298-S302 PolarHBondContact O-N 2.96Å |
| 299 | R | 79.1 | Confident | 78.6 | Confident | 122 Ų | 122 | 100 Ų | 100 | 46% | 0.46 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.8 | -42.4 | 174.2 | -74.3 | -167.7 | 177.5 | -166.3 | -0.5 | 112 | R295 V296 V297 A301 S302 L303 L370 | R295-R299 PolarHBondContact O-N 3.37Å; R295-R299 VanDerWaalsContact O-N 3.13Å; V296-R299 PolarHBondContact O-N 3.21Å; V296-R299 VanDerWaalsContact O-N 3.09Å; V297-R299 PolarHBondContact O-N 3.22Å; R299-A301 VanDerWaalsContact C-N 3.29Å; R299-A301 PolarHBondContact O-N 3.22Å; R299-S302 PolarHBondContact O-N 3.47Å; R299-S302 VanDerWaalsContact O-N 3.07Å; R299-S302 PolarHBondContact O-OG 3.23Å; R299-L303 PolarHBondContact O-N 2.82Å; R299-L370 HydrophobicContact CB-CD2 3.75Å; R299-L370 PolarHBondContact NH1-O 3.35Å; R299-L370 VanDerWaalsContact NH1-O 3.07Å |
| 300 | L | 81.2 | Confident | 78.4 | Confident | 7 Ų | 7 | 99.6 Ų | 99.6 | 4% | 0.037 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 174.9 | -68.3 | 175.1 | 0 | 0 | 0 | 111.4 | V296 V297 S302 L303 R339 L356 M357 | V296-L300 HydrophobicContact CG1-CD1 3.84Å; V296-L300 HydrophobicContact CG1-CG 4.18Å; V296-L300 WeakPolarHBondContact O-CG 3.48Å; V296-L300 PolarHBondContact O-N 2.93Å; V297-L300 PolarHBondContact O-N 3.09Å; L300-S302 PolarHBondContact O-N 2.94Å; L300-L303 HydrophobicContact CD2-CD1 3.83Å; L300-L303 WeakPolarHBondContact O-CB 3.42Å; L300-L303 PolarHBondContact O-N 2.7Å; L300-L303 VanDerWaalsContact O-N 3.07Å; L300-R339 PolarHBondContact O-NH1 2.98Å; L300-R339 PolarHBondContact O-NH2 3.15Å; L300-L356 HydrophobicContact CD1-CB 4.14Å; L300-L356 HydrophobicContact CD2-CB 3.59Å; L300-L356 HydrophobicContact CD2-CD1 3.53Å; L300-L356 HydrophobicContact CD2-CG 4.18Å; L300-M357 HydrophobicContact CD1-CG 3.96Å; L300-M357 HydrophobicContact CD1-SD 3.88Å |
| 301 | A | 77.8 | Confident | 77.3 | Confident | 69 Ų | 69 | 100 Ų | 100 | 57% | 0.57 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.6 | -33.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113 | V297 R299 L303 R339 | V297-A301 WeakPolarHBondContact O-CB 3.47Å; V297-A301 PolarHBondContact O-N 3.04Å; R299-A301 VanDerWaalsContact C-N 3.29Å; R299-A301 PolarHBondContact O-N 3.22Å; A301-L303 VanDerWaalsContact C-N 3.32Å; A301-L303 PolarHBondContact O-N 3.43Å; A301-R339 PolarHBondContact O-NH2 3.04Å |
| 302 | S | 78.9 | Confident | 76 | Confident | 97 Ų | 97 | 106.2 Ų | 106.2 | 68% | 0.678 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -76.1 | -12.5 | 177.8 | 73.2 | 0 | 0 | 0 | 0 | 114.8 | R298 R299 L300 | R298-S302 PolarHBondContact O-N 2.96Å; R299-S302 PolarHBondContact O-N 3.47Å; R299-S302 VanDerWaalsContact O-N 3.07Å; R299-S302 PolarHBondContact O-OG 3.23Å; L300-S302 PolarHBondContact O-N 2.94Å |
| 303 | L | 81.3 | Confident | 74.7 | Confident | 26 Ų | 26 | 105.5 Ų | 105.5 | 14% | 0.136 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -68.8 | 142.9 | 177.5 | -67.1 | 176.3 | 0 | 0 | 0 | 111.3 | R299 L300 A301 T305 R339 P342 L356 V369 | R299-L303 PolarHBondContact O-N 2.82Å; L300-L303 HydrophobicContact CD2-CD1 3.83Å; L300-L303 WeakPolarHBondContact O-CB 3.42Å; L300-L303 PolarHBondContact O-N 2.7Å; L300-L303 VanDerWaalsContact O-N 3.07Å; A301-L303 VanDerWaalsContact C-N 3.32Å; A301-L303 PolarHBondContact O-N 3.43Å; L303-T305 PolarHBondContact O-N 3.46Å; L303-R339 PolarHBondContact O-NH2 3.22Å; L303-P342 HydrophobicContact CD2-CG 4.12Å; L303-L356 HydrophobicContact CD1-CD1 4.44Å; L303-V369 HydrophobicContact CD1-CG1 3.84Å; L303-V369 HydrophobicContact CD2-CG1 4.33Å |
| 304 | K | 81.4 | Confident | 73.4 | Confident | 163 Ų | 163 | 104.2 Ų | 104.2 | 71% | 0.709 | 50% | 0.502 | S | S | * | . | trans | -55.7 | 125.1 | -179.9 | -165.2 | 86.3 | 178.1 | -174.9 | 0 | 109.8 | V340 | K304-V340 HydrophobicContact CB-CB 4.45Å; K304-V340 PolarHBondContact O-N 3.47Å | ||
| 305 | T | 83.1 | Confident | 71.9 | Confident | 54 Ų | 54 | 105.2 Ų | 105.2 | 33% | 0.331 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.4 | 167.8 | 51.2 | 0 | 0 | 0 | 0 | 109 | L303 L338 R339 | L303-T305 PolarHBondContact O-N 3.46Å; T305-L338 WeakPolarHBondContact CA-O 3.37Å; T305-R339 VanDerWaalsContact CG2-CZ 3.47Å; T305-R339 VanDerWaalsContact CG2-NH2 3.25Å |
| 306 | R | 81.3 | Confident | 70.3 | Confident | 116 Ų | 116 | 100.2 Ų | 100.2 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 136.9 | 176 | -178 | 175.3 | 174.7 | -105 | -1.4 | 107.8 | L338 V340 E346 | R306-L338 PolarHBondContact N-O 3.28Å; R306-L338 PolarHBondContact O-N 3.08Å; R306-V340 HydrophobicContact CB-CG2 4.3Å; R306-E346 IonicContact NH1-OE2 3.98Å |
| 307 | R | 79.8 | Confident | 68.7 | Low | 127 Ų | 127 | 107.1 Ų | 107.1 | 48% | 0.479 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.8 | 123.3 | 169.8 | -167.7 | 179.3 | -64.4 | 164.9 | 0.7 | 108 | R309 Q336 | R307-R309 PolarHBondContact O-N 3.17Å; R307-Q336 WeakPolarHBondContact CA-O 3.26Å |
| 308 | C | 75.4 | Confident | 66.9 | Low | 4 Ų | 4 | 108 Ų | 108 | 3% | 0.027 | 56% | 0.557 | C | S | . | * | trans | -63.4 | 124.7 | 177.1 | -171.5 | 0 | 0 | 0 | 0 | 109.9 | K335 Q336 L338 | C308-K335 PolarHBondContact O-N 3.11Å; C308-Q336 PolarHBondContact N-O 3.08Å; C308-L338 HydrophobicContact CB-CD1 3.88Å; C308-L338 HydrophobicContact CB-CG 4.13Å | ||
| 309 | R | 68.8 | Low | 65.2 | Low | 209 Ų | 209 | 105.9 Ų | 105.9 | 79% | 0.789 | 56% | 0.556 | S | S | * | * | trans | -119.8 | 92.1 | 172 | -65.7 | -171.1 | -172.1 | -150.4 | 4.3 | 107.4 | R307 S311 | R307-R309 PolarHBondContact O-N 3.17Å; R309-S311 PolarHBondContact O-N 3.36Å | ||
| 310 | L | 65.8 | Low | 63.6 | Low | 56 Ų | 56 | 106.2 Ų | 106.2 | 29% | 0.293 | 57% | 0.574 | S | S | . | * | trans | -79 | 106.6 | 165.5 | -64.3 | 128.1 | 0 | 0 | 0 | 107.2 | F332 N334 | L310-F332 WeakPolarHBondContact CD1-O 3.31Å; L310-N334 VanDerWaalsContact CA-OD1 3.32Å; L310-N334 WeakPolarHBondContact CA-OD1 3.39Å; L310-N334 VanDerWaalsContact CB-OD1 3.31Å; L310-N334 WeakPolarHBondContact CB-OD1 3.49Å; L310-N334 PolarHBondContact N-OD1 2.84Å; L310-N334 PolarHBondContact O-ND2 3.29Å; L310-N334 VanDerWaalsContact O-ND2 3.16Å; L310-N334 PolarHBondContact O-OD1 3.35Å | ||
| 311 | S | 54.3 | Low | 62.2 | Low | 97 Ų | 97 | 108.9 Ų | 108.9 | 68% | 0.678 | 60% | 0.603 | S | S | * | * | trans | -63.7 | 137 | 170.7 | -154.8 | 0 | 0 | 0 | 0 | 108.3 | R309 A313 A314 | R309-S311 PolarHBondContact O-N 3.36Å; S311-A313 PolarHBondContact O-N 3.38Å; S311-A314 PolarHBondContact O-N 3.34Å | ||
| 312 | R | 50.9 | Low | 61.2 | Low | 244 Ų | 244 | 110.6 Ų | 110.6 | 92% | 0.921 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -1.7 | -178.8 | -93.9 | 179.2 | 175.7 | 166 | -3.2 | 114.9 | ||
| 313 | A | 49.1 | Very low | 60.6 | Low | 94 Ų | 94 | 109.8 Ų | 109.8 | 78% | 0.777 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -3.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S311 Q315 | S311-A313 PolarHBondContact O-N 3.38Å; A313-Q315 PolarHBondContact O-N 2.65Å |
| 314 | A | 51.3 | Low | 60.6 | Low | 81 Ų | 81 | 111.6 Ų | 111.6 | 67% | 0.669 | 60% | 0.604 | S | S | * | * | trans | -100.2 | 48.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S311 | S311-A314 PolarHBondContact O-N 3.34Š| ||
| 315 | Q | 48 | Very low | 60.7 | Low | 198 Ų | 198 | 103.9 Ų | 103.9 | 93% | 0.925 | 57% | 0.57 | S | S | * | * | trans | -87.3 | 15 | 165 | -87 | -176.2 | 5.4 | 0 | 0 | 112.9 | A313 | A313-Q315 PolarHBondContact O-N 2.65Š| ||
| 316 | G | 46.9 | Very low | 60.8 | Low | 62 Ų | 62 | 103.3 Ų | 103.3 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -116.2 | 118.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 317 | L | 44 | Very low | 61 | Low | 150 Ų | 150 | 100.4 Ų | 100.4 | 79% | 0.785 | 57% | 0.566 | S | S | * | * | trans | 38 | 107.6 | 166.2 | -150.4 | 72.8 | 0 | 0 | 0 | 117.6 | E319 | L317-E319 PolarHBondContact O-N 3.05Š| ||
| 318 | P | 45.3 | Very low | 61.3 | Low | 95 Ų | 95 | 96.4 Ų | 96.4 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | trans | -72.2 | 112.3 | 175.2 | 28.8 | -30.4 | 0 | 0 | 0 | 110.3 | ||||
| 319 | E | 45.9 | Very low | 61.8 | Low | 153 Ų | 153 | 102.9 Ų | 102.9 | 72% | 0.715 | 59% | 0.591 | S | S | * | * | trans | -57.6 | 125.3 | 164.2 | -76.9 | -69.6 | 124.2 | 0 | 0 | 109.1 | L317 G321 | L317-E319 PolarHBondContact O-N 3.05Å; E319-G321 PolarHBondContact O-N 3.22Å | ||
| 320 | P | 45.3 | Very low | 62.4 | Low | 128 Ų | 128 | 97.6 Ų | 97.6 | 83% | 0.831 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 88.7 | -174.2 | 30.3 | -33.1 | 0 | 0 | 0 | 109.8 | ||
| 321 | G | 52.7 | Low | 63.2 | Low | 63 Ų | 63 | 102.2 Ų | 102.2 | 65% | 0.649 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.2 | -11.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | E319 | E319-G321 PolarHBondContact O-N 3.22Š|
| 322 | V | 55.9 | Low | 64.5 | Low | 105 Ų | 105 | 98.1 Ų | 98.1 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -119.6 | -13.9 | -168.2 | -165.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 323 | E | 67.3 | Low | 65.6 | Low | 81 Ų | 81 | 89.6 Ų | 89.6 | 38% | 0.379 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -127.2 | 24.3 | -165.3 | -51.3 | -60.1 | 159.3 | 0 | 0 | 115.3 | Y331 F332 | E323-Y331 VanDerWaalsContact O-CA 3.31Å; E323-Y331 WeakPolarHBondContact O-CA 3.22Å; E323-F332 VanDerWaalsContact C-CD2 3.4Å; E323-F332 HydrophobicContact CB-CD2 4.49Å; E323-F332 PolarHBondContact O-N 3.22Å |
| 324 | T | 79.8 | Confident | 66.6 | Low | 64 Ų | 64 | 89.3 Ų | 89.3 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | B | Isolated β-bridge | trans | -129.4 | 136.7 | -180 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | A326 D330 Y331 | T324-A326 PolarHBondContact O-N 2.99Å; T324-D330 CarbonylContact C-O 3.6Å; T324-D330 WeakPolarHBondContact CA-O 3.05Å; T324-Y331 HydrophobicContact CG2-CD1 3.38Å; T324-Y331 HydrophobicContact CG2-CE1 3.47Å; T324-Y331 VanDerWaalsContact CG2-CE1 3.47Å; T324-Y331 HydrophobicContact CG2-CG 4.06Å |
| 325 | C | 84 | Confident | 67.6 | Low | 0 Ų | 0 | 93.6 Ų | 93.6 | 0% | 0 | 53% | 0.529 | C | S | . | . | trans | -78 | 115.2 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 110.8 | V327 C328 L329 D330 F332 H348 | C325-V327 PolarHBondContact O-N 2.98Å; C325-V327 VanDerWaalsContact O-N 3.07Å; C325-C328 PolarHBondContact O-N 3.22Å; C325-L329 WeakPolarHBondContact O-CA 3.41Å; C325-L329 PolarHBondContact O-N 3.19Å; C325-D330 PolarHBondContact N-O 3.34Å; C325-F332 HydrophobicContact CB-CD1 4.37Å; C325-F332 HydrophobicContact CB-CE1 3.65Å; C325-F332 HydrophobicContact CB-CZ 4.31Å; C325-H348 WeakPolarHBondContact CB-ND1 3.49Å; C325-H348 PolarHBondContact SG-N 3.23Å | ||
| 326 | A | 84.6 | Confident | 69.3 | Low | 42 Ų | 42 | 87.4 Ų | 87.4 | 35% | 0.347 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -3.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T324 F347 L364 | T324-A326 PolarHBondContact O-N 2.99Å; A326-F347 HydrophobicContact CB-CE1 3.94Å; A326-L364 HydrophobicContact CB-CD1 4.18Å; A326-L364 HydrophobicContact CB-CD2 3.67Å; A326-L364 HydrophobicContact CB-CG 4.08Å |
| 327 | V | 85.3 | Confident | 71 | Confident | 56 Ų | 56 | 89.8 Ų | 89.8 | 34% | 0.339 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -45.3 | 175.7 | 177 | 0 | 0 | 0 | 0 | 111.8 | C325 F347 C351 P363 | C325-V327 PolarHBondContact O-N 2.98Å; C325-V327 VanDerWaalsContact O-N 3.07Å; V327-F347 HydrophobicContact CB-CD1 4.49Å; V327-F347 HydrophobicContact CG2-CD1 3.63Å; V327-F347 HydrophobicContact CG2-CE1 3.87Å; V327-C351 HydrophobicContact CB-CB 3.98Å; V327-C351 HydrophobicContact CG1-CB 3.84Å; V327-P363 HydrophobicContact CG2-CB 4.34Å; V327-P363 HydrophobicContact CG2-CG 3.94Å |
| 328 | C | 86.6 | Confident | 73.1 | Confident | 43 Ų | 43 | 82.7 Ų | 82.7 | 29% | 0.291 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -6.7 | 178 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | C325 D330 H348 | C325-C328 PolarHBondContact O-N 3.22Å; C328-D330 PolarHBondContact O-N 2.73Å; C328-H348 PolarHBondContact SG-ND1 3.17Å |
| 329 | L | 85.8 | Confident | 75 | Confident | 139 Ų | 139 | 78.7 Ų | 78.7 | 73% | 0.728 | 43% | 0.425 | S | S | * | . | trans | 61.4 | 14.2 | -176.8 | -51.5 | 176.5 | 0 | 0 | 0 | 114.5 | C325 | C325-L329 WeakPolarHBondContact O-CA 3.41Å; C325-L329 PolarHBondContact O-N 3.19Å | ||
| 330 | D | 82 | Confident | 77 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 53% | 0.529 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -93.2 | 152.9 | 177.6 | -67.1 | -47.3 | 0 | 0 | 0 | 112.6 | T324 C325 C328 | T324-D330 CarbonylContact C-O 3.6Å; T324-D330 WeakPolarHBondContact CA-O 3.05Å; C325-D330 PolarHBondContact N-O 3.34Å; C328-D330 PolarHBondContact O-N 2.73Å |
| 331 | Y | 81.8 | Confident | 79 | Confident | 152 Ų | 152 | 66.9 Ų | 66.9 | 60% | 0.596 | 36% | 0.361 | S | S | * | . | B | Isolated β-bridge | trans | -66.1 | 146.6 | 171.6 | -64.1 | -82.4 | 0 | 0 | 0 | 111.9 | E323 T324 | E323-Y331 VanDerWaalsContact O-CA 3.31Å; E323-Y331 WeakPolarHBondContact O-CA 3.22Å; T324-Y331 HydrophobicContact CG2-CD1 3.38Å; T324-Y331 HydrophobicContact CG2-CE1 3.47Å; T324-Y331 VanDerWaalsContact CG2-CE1 3.47Å; T324-Y331 HydrophobicContact CG2-CG 4.06Å |
| 332 | F | 81.8 | Confident | 80.5 | Confident | 11 Ų | 11 | 67.4 Ų | 67.4 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 135.3 | 170.6 | -58.1 | -48.4 | 0 | 0 | 0 | 110.2 | L310 E323 C325 L338 E346 H348 | L310-F332 WeakPolarHBondContact CD1-O 3.31Å; E323-F332 VanDerWaalsContact C-CD2 3.4Å; E323-F332 HydrophobicContact CB-CD2 4.49Å; E323-F332 PolarHBondContact O-N 3.22Å; C325-F332 HydrophobicContact CB-CD1 4.37Å; C325-F332 HydrophobicContact CB-CE1 3.65Å; C325-F332 HydrophobicContact CB-CZ 4.31Å; F332-L338 HydrophobicContact CB-CD1 4.31Å; F332-L338 HydrophobicContact CD1-CD1 3.91Å; F332-L338 HydrophobicContact CD1-CD2 3.3Å; F332-L338 HydrophobicContact CD1-CG 4.25Å; F332-L338 HydrophobicContact CD2-CD1 3.93Å; F332-L338 HydrophobicContact CE1-CD1 4.16Å; F332-L338 HydrophobicContact CE1-CD2 3.53Å; F332-L338 HydrophobicContact CE1-CG 4.46Å; F332-L338 HydrophobicContact CE2-CD1 4.22Å; F332-L338 HydrophobicContact CG-CD1 3.79Å; F332-L338 HydrophobicContact CG-CD2 4Å; F332-L338 HydrophobicContact CZ-CD1 4.33Å; F332-L338 HydrophobicContact CZ-CD2 4.41Å; F332-E346 HydrophobicContact CZ-CB 4.32Å; F332-H348 AromaticContact CD1-CD2 3.92Å; F332-H348 AromaticContact CD1-NE2 3.51Å |
| 333 | C | 73.9 | Confident | 81.9 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | trans | -111 | 159.3 | 177.8 | -66.8 | 0 | 0 | 0 | 0 | 112.2 | K335 Q336 | C333-K335 PolarHBondContact O-N 3.37Å; C333-Q336 HydrophobicContact CB-CG 4.15Å; C333-Q336 WeakPolarHBondContact O-CB 3.45Å; C333-Q336 PolarHBondContact O-N 3.19Å | ||
| 334 | N | 71.3 | Confident | 82.8 | Confident | 88 Ų | 88 | 68.6 Ų | 68.6 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 134.5 | 178.3 | -92.7 | -37.4 | 0 | 0 | 0 | 112.2 | L310 Q336 | L310-N334 VanDerWaalsContact CA-OD1 3.32Å; L310-N334 WeakPolarHBondContact CA-OD1 3.39Å; L310-N334 VanDerWaalsContact CB-OD1 3.31Å; L310-N334 WeakPolarHBondContact CB-OD1 3.49Å; L310-N334 PolarHBondContact N-OD1 2.84Å; L310-N334 PolarHBondContact O-ND2 3.29Å; L310-N334 VanDerWaalsContact O-ND2 3.16Å; L310-N334 PolarHBondContact O-OD1 3.35Å; N334-Q336 PolarHBondContact O-N 3.35Å |
| 335 | K | 72.3 | Confident | 83.1 | Confident | 171 Ų | 171 | 68.5 Ų | 68.5 | 74% | 0.743 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | 6.5 | 179.7 | -52.5 | -179.4 | 178 | -171.1 | 0 | 116 | C308 C333 | C308-K335 PolarHBondContact O-N 3.11Å; C333-K335 PolarHBondContact O-N 3.37Å |
| 336 | Q | 82.5 | Confident | 83.2 | Confident | 68 Ų | 68 | 71.5 Ų | 71.5 | 32% | 0.318 | 36% | 0.36 | S | S | . | . | trans | -73.5 | 151.9 | 171.8 | -72.1 | 176.6 | -26 | 0 | 0 | 112 | R307 C308 C333 N334 H348 | R307-Q336 WeakPolarHBondContact CA-O 3.26Å; C308-Q336 PolarHBondContact N-O 3.08Å; C333-Q336 HydrophobicContact CB-CG 4.15Å; C333-Q336 WeakPolarHBondContact O-CB 3.45Å; C333-Q336 PolarHBondContact O-N 3.19Å; N334-Q336 PolarHBondContact O-N 3.35Å; Q336-H348 PolarHBondContact OE1-NE2 2.99Å | ||
| 337 | W | 83.9 | Confident | 83.4 | Confident | 113 Ų | 113 | 69.5 Ų | 69.5 | 43% | 0.428 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 114.3 | 176.8 | -69.7 | 98.1 | 0 | 0 | 0 | 110 | R349 | W337-R349 HydrophobicContact CB-CB 4.22Å; W337-R349 WeakPolarHBondContact O-CB 3.4Å; W337-R349 PolarHBondContact O-N 3.11Å |
| 338 | L | 86.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 142.2 | 173.4 | -53.5 | -175.7 | 0 | 0 | 0 | 109.5 | T305 R306 C308 F332 F347 | T305-L338 WeakPolarHBondContact CA-O 3.37Å; R306-L338 PolarHBondContact N-O 3.28Å; R306-L338 PolarHBondContact O-N 3.08Å; C308-L338 HydrophobicContact CB-CD1 3.88Å; C308-L338 HydrophobicContact CB-CG 4.13Å; F332-L338 HydrophobicContact CB-CD1 4.31Å; F332-L338 HydrophobicContact CD1-CD1 3.91Å; F332-L338 HydrophobicContact CD1-CD2 3.3Å; F332-L338 HydrophobicContact CD1-CG 4.25Å; F332-L338 HydrophobicContact CD2-CD1 3.93Å; F332-L338 HydrophobicContact CE1-CD1 4.16Å; F332-L338 HydrophobicContact CE1-CD2 3.53Å; F332-L338 HydrophobicContact CE1-CG 4.46Å; F332-L338 HydrophobicContact CE2-CD1 4.22Å; F332-L338 HydrophobicContact CG-CD1 3.79Å; F332-L338 HydrophobicContact CG-CD2 4Å; F332-L338 HydrophobicContact CZ-CD1 4.33Å; F332-L338 HydrophobicContact CZ-CD2 4.41Å; L338-F347 CarbonylContact C-O 3.49Å; L338-F347 VanDerWaalsContact CA-O 3.24Å; L338-F347 WeakPolarHBondContact CA-O 3.45Å |
| 339 | R | 86.6 | Confident | 83.6 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.2 | 173.5 | -174.6 | 123.5 | -95.6 | -179.5 | -12.6 | 107.7 | L300 A301 L303 T305 F347 R349 V352 D353 | L300-R339 PolarHBondContact O-NH1 2.98Å; L300-R339 PolarHBondContact O-NH2 3.15Å; A301-R339 PolarHBondContact O-NH2 3.04Å; L303-R339 PolarHBondContact O-NH2 3.22Å; T305-R339 VanDerWaalsContact CG2-CZ 3.47Å; T305-R339 VanDerWaalsContact CG2-NH2 3.25Å; R339-F347 PolarHBondContact N-O 3.19Å; R339-F347 PolarHBondContact O-N 3.03Å; R339-F347 VanDerWaalsContact O-N 3.12Å; R339-R349 HydrophobicContact CB-CB 4.34Å; R339-V352 HydrophobicContact CB-CG1 3.72Å; R339-V352 HydrophobicContact CG-CG1 3.95Å; R339-D353 WeakPolarHBondContact CD-OD1 3.42Å; R339-D353 IonicContact NH1-OD1 3.27Å; R339-D353 PolarHBondContact NH1-OD1 3.19Å; R339-D353 IonicContact NH1-OD2 3.33Å; R339-D353 PolarHBondContact NH1-OD2 3.17Å |
| 340 | V | 86.8 | Confident | 83.6 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 18% | 0.176 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 118.2 | 178.4 | -173 | 0 | 0 | 0 | 0 | 107.8 | K304 R306 E346 | K304-V340 HydrophobicContact CB-CB 4.45Å; K304-V340 PolarHBondContact O-N 3.47Å; R306-V340 HydrophobicContact CB-CG2 4.3Å; V340-E346 HydrophobicContact CG1-CG 4.42Å; V340-E346 HydrophobicContact CG2-CG 4.08Å |
| 341 | L | 87.4 | Confident | 83.8 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | trans | -77.9 | 161.7 | 178.5 | -69.5 | 141.6 | 0 | 0 | 0 | 110.9 | C343 K344 H345 F347 V352 L356 V369 | L341-C343 PolarHBondContact O-N 3.15Å; L341-K344 WeakPolarHBondContact O-CA 3.48Å; L341-K344 PolarHBondContact O-N 3.09Å; L341-H345 HydrophobicContact CD1-CB 4.31Å; L341-H345 PolarHBondContact N-O 3.42Å; L341-F347 HydrophobicContact CD1-CD2 3.34Å; L341-F347 HydrophobicContact CD1-CE2 3.2Å; L341-F347 HydrophobicContact CD1-CZ 4.41Å; L341-V352 HydrophobicContact CD1-CG2 4.39Å; L341-L356 HydrophobicContact CD2-CD1 3.87Å; L341-L356 HydrophobicContact CD2-CD2 3.99Å; L341-V369 HydrophobicContact CD2-CB 4.08Å; L341-V369 HydrophobicContact CD2-CG1 3.47Å; L341-V369 VanDerWaalsContact CD2-CG1 3.47Å; L341-V369 HydrophobicContact CD2-CG2 3.36Å | ||
| 342 | P | 84.3 | Confident | 84.1 | Confident | 73 Ų | 73 | 59.6 Ų | 59.6 | 47% | 0.474 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -27.3 | 175.8 | -22 | 33.4 | 0 | 0 | 0 | 113.5 | L303 K344 F367 V369 | L303-P342 HydrophobicContact CD2-CG 4.12Å; P342-K344 PolarHBondContact O-N 3.31Å; P342-F367 HydrophobicContact CB-CE1 4.21Å; P342-V369 HydrophobicContact CG-CG1 4.12Å |
| 343 | C | 86.3 | Confident | 84.4 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 9.5 | 172.3 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | L341 H345 C362 C365 F367 | L341-C343 PolarHBondContact O-N 3.15Å; C343-H345 PolarHBondContact O-N 2.92Å; C343-H345 PolarHBondContact SG-ND1 3.41Å; C343-C362 VanDerWaalsContact SG-SG 3.64Å; C343-C365 VanDerWaalsContact SG-SG 3.69Å; C343-F367 HydrophobicContact CB-CB 4Å; C343-F367 HydrophobicContact CB-CD1 3.92Å; C343-F367 HydrophobicContact CB-CG 3.99Å |
| 344 | K | 84.6 | Confident | 85 | Confident | 180 Ų | 180 | 61.2 Ų | 61.2 | 78% | 0.783 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 68.4 | 1.2 | 178.4 | -53 | 177.3 | -178.8 | 176.2 | 0 | 116.6 | L341 P342 | L341-K344 WeakPolarHBondContact O-CA 3.48Å; L341-K344 PolarHBondContact O-N 3.09Å; P342-K344 PolarHBondContact O-N 3.31Å |
| 345 | H | 86.3 | Confident | 85.8 | Confident | 63 Ų | 63 | 61.8 Ų | 61.8 | 29% | 0.292 | 30% | 0.296 | S | S | . | . | trans | -72.3 | 141.3 | 172.3 | -64.5 | 104.8 | 0 | 0 | 0 | 111.7 | L341 C343 F347 L364 C365 | L341-H345 HydrophobicContact CD1-CB 4.31Å; L341-H345 PolarHBondContact N-O 3.42Å; C343-H345 PolarHBondContact O-N 2.92Å; C343-H345 PolarHBondContact SG-ND1 3.41Å; H345-F347 HydrophobicContact CB-CD2 4.47Å; H345-F347 HydrophobicContact CB-CE2 3.61Å; H345-F347 HydrophobicContact CB-CZ 4.24Å; H345-L364 HydrophobicContact CB-CD1 4.19Å; H345-L364 VanDerWaalsContact CD2-CD1 3.43Å; H345-L364 WeakPolarHBondContact CD2-CD1 3.44Å; H345-C365 VanDerWaalsContact CE1-SG 3.55Å | ||
| 346 | E | 87.3 | Confident | 86.4 | Confident | 62 Ų | 62 | 53.7 Ų | 53.7 | 29% | 0.29 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 138.6 | -177.2 | -52.7 | -160.9 | 169 | 0 | 0 | 111.6 | R306 F332 V340 | R306-E346 IonicContact NH1-OE2 3.98Å; F332-E346 HydrophobicContact CZ-CB 4.32Å; V340-E346 HydrophobicContact CG1-CG 4.42Å; V340-E346 HydrophobicContact CG2-CG 4.08Å |
| 347 | F | 88.7 | Confident | 86.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 160.2 | 177.9 | -59.7 | -93.3 | 0 | 0 | 0 | 110.6 | A326 V327 L338 R339 L341 H345 R349 V352 P363 L364 | A326-F347 HydrophobicContact CB-CE1 3.94Å; V327-F347 HydrophobicContact CB-CD1 4.49Å; V327-F347 HydrophobicContact CG2-CD1 3.63Å; V327-F347 HydrophobicContact CG2-CE1 3.87Å; L338-F347 CarbonylContact C-O 3.49Å; L338-F347 VanDerWaalsContact CA-O 3.24Å; L338-F347 WeakPolarHBondContact CA-O 3.45Å; R339-F347 PolarHBondContact N-O 3.19Å; R339-F347 PolarHBondContact O-N 3.03Å; R339-F347 VanDerWaalsContact O-N 3.12Å; L341-F347 HydrophobicContact CD1-CD2 3.34Å; L341-F347 HydrophobicContact CD1-CE2 3.2Å; L341-F347 HydrophobicContact CD1-CZ 4.41Å; H345-F347 HydrophobicContact CB-CD2 4.47Å; H345-F347 HydrophobicContact CB-CE2 3.61Å; H345-F347 HydrophobicContact CB-CZ 4.24Å; F347-R349 PolarHBondContact O-N 3.39Å; F347-V352 HydrophobicContact CB-CB 3.63Å; F347-V352 HydrophobicContact CB-CG1 3.92Å; F347-V352 HydrophobicContact CB-CG2 4.06Å; F347-V352 HydrophobicContact CD2-CB 4.48Å; F347-V352 HydrophobicContact CD2-CG2 3.98Å; F347-V352 HydrophobicContact CG-CB 4.09Å; F347-V352 HydrophobicContact CG-CG2 3.98Å; F347-P363 HydrophobicContact CE1-CB 4.2Å; F347-P363 HydrophobicContact CE1-CG 4.04Å; F347-P363 HydrophobicContact CZ-CB 4.19Å; F347-P363 HydrophobicContact CZ-CG 3.98Å; F347-L364 HydrophobicContact CE1-CD1 4.15Å; F347-L364 HydrophobicContact CE1-CG 4.25Å; F347-L364 HydrophobicContact CE2-CD1 4.42Å; F347-L364 HydrophobicContact CZ-CB 4.45Å; F347-L364 HydrophobicContact CZ-CD1 3.6Å; F347-L364 HydrophobicContact CZ-CG 3.76Å |
| 348 | H | 88.8 | Confident | 86.4 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 132.2 | 164.8 | -65 | 126.8 | 0 | 0 | 0 | 109.7 | C325 C328 F332 Q336 D350 C351 V352 | C325-H348 WeakPolarHBondContact CB-ND1 3.49Å; C325-H348 PolarHBondContact SG-N 3.23Å; C328-H348 PolarHBondContact SG-ND1 3.17Å; F332-H348 AromaticContact CD1-CD2 3.92Å; F332-H348 AromaticContact CD1-NE2 3.51Å; Q336-H348 PolarHBondContact OE1-NE2 2.99Å; H348-D350 PolarHBondContact O-N 3.23Å; H348-C351 HydrophobicContact CB-CB 3.91Å; H348-C351 VanDerWaalsContact CB-SG 3.6Å; H348-C351 PolarHBondContact O-N 3.34Å; H348-V352 WeakPolarHBondContact O-CG1 3.46Å; H348-V352 PolarHBondContact O-N 3.05Å |
| 349 | R | 86.2 | Confident | 86 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 39% | 0.389 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -52.6 | -46.3 | 177.7 | 177.7 | -176.7 | 156.5 | -162.5 | -12.5 | 111.1 | W337 R339 F347 C351 V352 D353 | W337-R349 HydrophobicContact CB-CB 4.22Å; W337-R349 WeakPolarHBondContact O-CB 3.4Å; W337-R349 PolarHBondContact O-N 3.11Å; R339-R349 HydrophobicContact CB-CB 4.34Å; F347-R349 PolarHBondContact O-N 3.39Å; R349-C351 VanDerWaalsContact C-N 3.27Å; R349-C351 PolarHBondContact O-N 3.4Å; R349-V352 PolarHBondContact O-N 3.39Å; R349-D353 WeakPolarHBondContact CG-OD2 3.3Å; R349-D353 IonicContact NE-OD2 3.47Å; R349-D353 PolarHBondContact NE-OD2 3.38Å; R349-D353 WeakPolarHBondContact O-CB 3.47Å; R349-D353 PolarHBondContact O-N 3.29Å |
| 350 | D | 86.6 | Confident | 86 | Confident | 125 Ų | 125 | 62.7 Ų | 62.7 | 67% | 0.668 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -71 | -23 | -176.7 | -54.8 | -40.4 | 0 | 0 | 0 | 113 | H348 P354 | H348-D350 PolarHBondContact O-N 3.23Å; D350-P354 WeakPolarHBondContact O-CD 3.2Å; D350-P354 WeakPolarHBondContact O-CG 3.44Å |
| 351 | C | 86.6 | Confident | 86.1 | Confident | 37 Ų | 37 | 63 Ų | 63 | 25% | 0.25 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -84.8 | -39.3 | 177 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | V327 H348 R349 | V327-C351 HydrophobicContact CB-CB 3.98Å; V327-C351 HydrophobicContact CG1-CB 3.84Å; H348-C351 HydrophobicContact CB-CB 3.91Å; H348-C351 VanDerWaalsContact CB-SG 3.6Å; H348-C351 PolarHBondContact O-N 3.34Å; R349-C351 VanDerWaalsContact C-N 3.27Å; R349-C351 PolarHBondContact O-N 3.4Å |
| 352 | V | 88.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -90.6 | -28.1 | -174.1 | 79.1 | 0 | 0 | 0 | 0 | 113.3 | R339 L341 F347 H348 R349 W355 L356 P363 | R339-V352 HydrophobicContact CB-CG1 3.72Å; R339-V352 HydrophobicContact CG-CG1 3.95Å; L341-V352 HydrophobicContact CD1-CG2 4.39Å; F347-V352 HydrophobicContact CB-CB 3.63Å; F347-V352 HydrophobicContact CB-CG1 3.92Å; F347-V352 HydrophobicContact CB-CG2 4.06Å; F347-V352 HydrophobicContact CD2-CB 4.48Å; F347-V352 HydrophobicContact CD2-CG2 3.98Å; F347-V352 HydrophobicContact CG-CB 4.09Å; F347-V352 HydrophobicContact CG-CG2 3.98Å; H348-V352 WeakPolarHBondContact O-CG1 3.46Å; H348-V352 PolarHBondContact O-N 3.05Å; R349-V352 PolarHBondContact O-N 3.39Å; V352-W355 WeakPolarHBondContact O-CB 3.5Å; V352-W355 PolarHBondContact O-N 3.11Å; V352-L356 HydrophobicContact CG1-CD1 4.34Å; V352-L356 HydrophobicContact CG2-CD1 4.02Å; V352-L356 HydrophobicContact CG2-CG 4.08Å; V352-L356 VanDerWaalsContact O-CG 3.28Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 3.41Å; V352-P363 HydrophobicContact CG2-CG 4.38Å |
| 353 | D | 86.8 | Confident | 86.3 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 179.1 | -76.2 | -6.6 | 0 | 0 | 0 | 112.3 | R339 R349 W355 L356 M357 | R339-D353 WeakPolarHBondContact CD-OD1 3.42Å; R339-D353 IonicContact NH1-OD1 3.27Å; R339-D353 PolarHBondContact NH1-OD1 3.19Å; R339-D353 IonicContact NH1-OD2 3.33Å; R339-D353 PolarHBondContact NH1-OD2 3.17Å; R349-D353 WeakPolarHBondContact CG-OD2 3.3Å; R349-D353 IonicContact NE-OD2 3.47Å; R349-D353 PolarHBondContact NE-OD2 3.38Å; R349-D353 WeakPolarHBondContact O-CB 3.47Å; R349-D353 PolarHBondContact O-N 3.29Å; D353-W355 PolarHBondContact O-N 3.16Å; D353-L356 PolarHBondContact O-N 3.45Å; D353-M357 VanDerWaalsContact O-CG 3.28Å; D353-M357 WeakPolarHBondContact O-CG 3.25Å; D353-M357 PolarHBondContact O-N 2.91Å |
| 354 | P | 87.8 | Confident | 86.3 | Confident | 81 Ų | 81 | 64.4 Ų | 64.4 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.1 | -37.8 | 174.1 | -21.8 | 33.4 | 0 | 0 | 0 | 113.2 | D350 M357 L358 | D350-P354 WeakPolarHBondContact O-CD 3.2Å; D350-P354 WeakPolarHBondContact O-CG 3.44Å; P354-M357 PolarHBondContact O-N 3.26Å; P354-L358 PolarHBondContact O-N 3.11Å |
| 355 | W | 87.7 | Confident | 86.4 | Confident | 99 Ų | 99 | 58.7 Ų | 58.7 | 38% | 0.375 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61 | -48.5 | 175.4 | 179.1 | -85.2 | 0 | 0 | 0 | 110.6 | V352 D353 M357 L358 Q359 T361 P363 | V352-W355 WeakPolarHBondContact O-CB 3.5Å; V352-W355 PolarHBondContact O-N 3.11Å; D353-W355 PolarHBondContact O-N 3.16Å; W355-M357 VanDerWaalsContact C-N 3.27Å; W355-M357 PolarHBondContact O-N 2.92Å; W355-L358 PolarHBondContact O-N 3.41Å; W355-Q359 PolarHBondContact O-N 2.96Å; W355-Q359 VanDerWaalsContact O-O 3.12Å; W355-T361 PolarHBondContact NE1-O 3.25Å; W355-P363 HydrophobicContact CD2-CG 4.18Å; W355-P363 HydrophobicContact CG-CG 4.01Å |
| 356 | L | 85.6 | Confident | 86.4 | Confident | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.6 | -23.1 | -178.4 | -63.3 | 170.5 | 0 | 0 | 0 | 114.1 | L300 L303 L341 V352 D353 L358 Q359 V369 | L300-L356 HydrophobicContact CD1-CB 4.14Å; L300-L356 HydrophobicContact CD2-CB 3.59Å; L300-L356 HydrophobicContact CD2-CD1 3.53Å; L300-L356 HydrophobicContact CD2-CG 4.18Å; L303-L356 HydrophobicContact CD1-CD1 4.44Å; L341-L356 HydrophobicContact CD2-CD1 3.87Å; L341-L356 HydrophobicContact CD2-CD2 3.99Å; V352-L356 HydrophobicContact CG1-CD1 4.34Å; V352-L356 HydrophobicContact CG2-CD1 4.02Å; V352-L356 HydrophobicContact CG2-CG 4.08Å; V352-L356 VanDerWaalsContact O-CG 3.28Å; V352-L356 WeakPolarHBondContact O-CG 3.47Å; V352-L356 PolarHBondContact O-N 3.41Å; D353-L356 PolarHBondContact O-N 3.45Å; L356-L358 VanDerWaalsContact C-N 3.27Å; L356-Q359 WeakPolarHBondContact CA-O 3.39Å; L356-V369 HydrophobicContact CD2-CB 4.24Å; L356-V369 HydrophobicContact CD2-CG1 4.49Å; L356-V369 HydrophobicContact CD2-CG2 3.69Å |
| 357 | M | 83.1 | Confident | 86.3 | Confident | 74 Ų | 74 | 66 Ų | 66 | 37% | 0.365 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.4 | -27.8 | 170.4 | -75.7 | -70.1 | -70.6 | 0 | 0 | 112.5 | K293 V296 V297 L300 D353 P354 W355 | K293-M357 HydrophobicContact CB-CE 4.37Å; K293-M357 HydrophobicContact CG-CE 4.36Å; V296-M357 HydrophobicContact CB-SD 4.3Å; V296-M357 HydrophobicContact CG1-SD 3.72Å; V297-M357 HydrophobicContact CG2-CE 3.69Å; V297-M357 HydrophobicContact CG2-SD 3.53Å; V297-M357 VanDerWaalsContact CG2-SD 3.53Å; L300-M357 HydrophobicContact CD1-CG 3.96Å; L300-M357 HydrophobicContact CD1-SD 3.88Å; D353-M357 VanDerWaalsContact O-CG 3.28Å; D353-M357 WeakPolarHBondContact O-CG 3.25Å; D353-M357 PolarHBondContact O-N 2.91Å; P354-M357 PolarHBondContact O-N 3.26Å; W355-M357 VanDerWaalsContact C-N 3.27Å; W355-M357 PolarHBondContact O-N 2.92Å |
| 358 | L | 81.6 | Confident | 86.1 | Confident | 152 Ų | 152 | 69.4 Ų | 69.4 | 80% | 0.796 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -97.2 | -51.4 | -179.3 | -168.6 | 69.9 | 0 | 0 | 0 | 111.8 | P354 W355 L356 | P354-L358 PolarHBondContact O-N 3.11Å; W355-L358 PolarHBondContact O-N 3.41Å; L356-L358 VanDerWaalsContact C-N 3.27Å |
| 359 | Q | 78.9 | Confident | 85.7 | Confident | 103 Ų | 103 | 69.2 Ų | 69.2 | 48% | 0.481 | 35% | 0.349 | S | S | . | . | trans | -126.4 | 110.2 | 178.5 | -66.1 | -158.6 | -27.8 | 0 | 0 | 108.7 | W355 L356 T361 | W355-Q359 PolarHBondContact O-N 2.96Å; W355-Q359 VanDerWaalsContact O-O 3.12Å; L356-Q359 WeakPolarHBondContact CA-O 3.39Å; Q359-T361 PolarHBondContact O-N 3.35Å | ||
| 360 | Q | 86.6 | Confident | 85.1 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 24% | 0.243 | 34% | 0.336 | C | S | . | . | trans | -70.2 | 29.9 | -175.9 | -57.8 | 176.1 | 1.9 | 0 | 0 | 113.1 | N368 V369 L370 | Q360-N368 CarbonylContact O-C 3.53Å; Q360-N368 WeakPolarHBondContact O-CA 3.39Å; Q360-N368 PolarHBondContact O-OD1 2.92Å; Q360-V369 WeakPolarHBondContact O-CG2 3.38Å; Q360-V369 PolarHBondContact O-N 3.39Å; Q360-L370 HydrophobicContact CB-CB 4.3Å; Q360-L370 HydrophobicContact CB-CD1 4.07Å; Q360-L370 HydrophobicContact CB-CG 4.08Å; Q360-L370 VanDerWaalsContact CD-CD1 3.42Å; Q360-L370 HydrophobicContact CG-CD1 3.64Å; Q360-L370 HydrophobicContact CG-CG 4.23Å | ||
| 361 | T | 89 | Confident | 84.1 | Confident | 37 Ų | 37 | 61.1 Ų | 61.1 | 23% | 0.227 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -125 | 146 | -170.7 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | W355 Q359 K366 F367 | W355-T361 PolarHBondContact NE1-O 3.25Å; Q359-T361 PolarHBondContact O-N 3.35Å; T361-K366 WeakPolarHBondContact CB-O 3.34Å; T361-K366 WeakPolarHBondContact CG2-O 3.38Å; T361-F367 CarbonylContact C-O 3.6Å; T361-F367 VanDerWaalsContact CA-O 3.27Å; T361-F367 WeakPolarHBondContact CA-O 3.26Å |
| 362 | C | 88.2 | Confident | 82.3 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | trans | -61.5 | 131.1 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | C343 L364 C365 K366 F367 | C343-C362 VanDerWaalsContact SG-SG 3.64Å; C362-L364 PolarHBondContact O-N 3.12Å; C362-L364 PolarHBondContact SG-N 3.11Å; C362-C365 VanDerWaalsContact CB-SG 3.52Å; C362-C365 VanDerWaalsContact SG-SG 3.62Å; C362-K366 WeakPolarHBondContact O-CA 3.24Å; C362-K366 PolarHBondContact O-N 3.41Å; C362-F367 HydrophobicContact CB-CB 4.38Å; C362-F367 PolarHBondContact N-O 3.49Å | ||
| 363 | P | 88.4 | Confident | 80.2 | Confident | 40 Ų | 40 | 77.1 Ų | 77.1 | 26% | 0.26 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.8 | 175.7 | -23.5 | 30.8 | 0 | 0 | 0 | 114.2 | V327 F347 V352 W355 | V327-P363 HydrophobicContact CG2-CB 4.34Å; V327-P363 HydrophobicContact CG2-CG 3.94Å; F347-P363 HydrophobicContact CE1-CB 4.2Å; F347-P363 HydrophobicContact CE1-CG 4.04Å; F347-P363 HydrophobicContact CZ-CB 4.19Å; F347-P363 HydrophobicContact CZ-CG 3.98Å; V352-P363 HydrophobicContact CG2-CG 4.38Å; W355-P363 HydrophobicContact CD2-CG 4.18Å; W355-P363 HydrophobicContact CG-CG 4.01Å |
| 364 | L | 86.1 | Confident | 78.3 | Confident | 96 Ų | 96 | 85.5 Ų | 85.5 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -53.5 | -176.3 | -73.1 | 169.9 | 0 | 0 | 0 | 112.6 | A326 H345 F347 C362 | A326-L364 HydrophobicContact CB-CD1 4.18Å; A326-L364 HydrophobicContact CB-CD2 3.67Å; A326-L364 HydrophobicContact CB-CG 4.08Å; H345-L364 HydrophobicContact CB-CD1 4.19Å; H345-L364 VanDerWaalsContact CD2-CD1 3.43Å; H345-L364 WeakPolarHBondContact CD2-CD1 3.44Å; F347-L364 HydrophobicContact CE1-CD1 4.15Å; F347-L364 HydrophobicContact CE1-CG 4.25Å; F347-L364 HydrophobicContact CE2-CD1 4.42Å; F347-L364 HydrophobicContact CZ-CB 4.45Å; F347-L364 HydrophobicContact CZ-CD1 3.6Å; F347-L364 HydrophobicContact CZ-CG 3.76Å; C362-L364 PolarHBondContact O-N 3.12Å; C362-L364 PolarHBondContact SG-N 3.11Å |
| 365 | C | 85.3 | Confident | 76.1 | Confident | 60 Ų | 60 | 86.9 Ų | 86.9 | 41% | 0.405 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 2.7 | -171.9 | 64.5 | 0 | 0 | 0 | 0 | 114.4 | C343 H345 C362 F367 | C343-C365 VanDerWaalsContact SG-SG 3.69Å; H345-C365 VanDerWaalsContact CE1-SG 3.55Å; C362-C365 VanDerWaalsContact CB-SG 3.52Å; C362-C365 VanDerWaalsContact SG-SG 3.62Å; C365-F367 PolarHBondContact O-N 2.84Å; C365-F367 WeakPolarHBondContact SG-CB 3.44Å |
| 366 | K | 86.5 | Confident | 73.7 | Confident | 174 Ų | 174 | 90.1 Ų | 90.1 | 76% | 0.757 | 46% | 0.455 | S | S | * | . | trans | 57.1 | 8.6 | -176.1 | -56.2 | -177.8 | -179.1 | -179.6 | 0 | 115.3 | T361 C362 N368 | T361-K366 WeakPolarHBondContact CB-O 3.34Å; T361-K366 WeakPolarHBondContact CG2-O 3.38Å; C362-K366 WeakPolarHBondContact O-CA 3.24Å; C362-K366 PolarHBondContact O-N 3.41Å; K366-N368 PolarHBondContact O-N 3.05Å | ||
| 367 | F | 85.3 | Confident | 71.1 | Confident | 105 Ų | 105 | 101.7 Ų | 101.7 | 46% | 0.461 | 52% | 0.517 | S | S | . | . | trans | -58.1 | 130.4 | 177.3 | -179 | -93.7 | 0 | 0 | 0 | 111.3 | P342 C343 T361 C362 C365 V369 | P342-F367 HydrophobicContact CB-CE1 4.21Å; C343-F367 HydrophobicContact CB-CB 4Å; C343-F367 HydrophobicContact CB-CD1 3.92Å; C343-F367 HydrophobicContact CB-CG 3.99Å; T361-F367 CarbonylContact C-O 3.6Å; T361-F367 VanDerWaalsContact CA-O 3.27Å; T361-F367 WeakPolarHBondContact CA-O 3.26Å; C362-F367 HydrophobicContact CB-CB 4.38Å; C362-F367 PolarHBondContact N-O 3.49Å; C365-F367 PolarHBondContact O-N 2.84Å; C365-F367 WeakPolarHBondContact SG-CB 3.44Å; F367-V369 PolarHBondContact O-N 3.19Å | ||
| 368 | N | 84.5 | Confident | 70.5 | Confident | 72 Ų | 72 | 103.1 Ų | 103.1 | 39% | 0.385 | 52% | 0.524 | S | S | . | . | B | Isolated β-bridge | trans | -72.9 | 110.5 | 179.2 | -170.4 | -22 | 0 | 0 | 0 | 110.7 | Q360 K366 L370 G371 | Q360-N368 CarbonylContact O-C 3.53Å; Q360-N368 WeakPolarHBondContact O-CA 3.39Å; Q360-N368 PolarHBondContact O-OD1 2.92Å; K366-N368 PolarHBondContact O-N 3.05Å; N368-L370 VanDerWaalsContact C-N 3.3Å; N368-L370 PolarHBondContact O-N 3.46Å; N368-L370 PolarHBondContact OD1-N 3.37Å; N368-G371 VanDerWaalsContact CG-CA 3.5Å; N368-G371 PolarHBondContact O-N 3.25Å; N368-G371 WeakPolarHBondContact OD1-CA 3.49Å; N368-G371 PolarHBondContact OD1-N 2.71Å |
| 369 | V | 81.1 | Confident | 69.9 | Low | 13 Ų | 13 | 100.5 Ų | 100.5 | 8% | 0.079 | 51% | 0.51 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -25.9 | -174.2 | -171.7 | 0 | 0 | 0 | 0 | 111.6 | L303 L341 P342 L356 Q360 F367 | L303-V369 HydrophobicContact CD1-CG1 3.84Å; L303-V369 HydrophobicContact CD2-CG1 4.33Å; L341-V369 HydrophobicContact CD2-CB 4.08Å; L341-V369 HydrophobicContact CD2-CG1 3.47Å; L341-V369 VanDerWaalsContact CD2-CG1 3.47Å; L341-V369 HydrophobicContact CD2-CG2 3.36Å; P342-V369 HydrophobicContact CG-CG1 4.12Å; L356-V369 HydrophobicContact CD2-CB 4.24Å; L356-V369 HydrophobicContact CD2-CG1 4.49Å; L356-V369 HydrophobicContact CD2-CG2 3.69Å; Q360-V369 WeakPolarHBondContact O-CG2 3.38Å; Q360-V369 PolarHBondContact O-N 3.39Å; F367-V369 PolarHBondContact O-N 3.19Å |
| 370 | L | 74.3 | Confident | 69.4 | Low | 20 Ų | 20 | 100.4 Ų | 100.4 | 11% | 0.105 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 6.5 | 178.4 | -56.3 | -171.9 | 0 | 0 | 0 | 112.5 | V296 R299 Q360 N368 N372 | V296-L370 HydrophobicContact CB-CD1 4.48Å; V296-L370 HydrophobicContact CG1-CD1 4.02Å; V296-L370 HydrophobicContact CG2-CD1 4.14Å; R299-L370 HydrophobicContact CB-CD2 3.75Å; R299-L370 PolarHBondContact NH1-O 3.35Å; R299-L370 VanDerWaalsContact NH1-O 3.07Å; Q360-L370 HydrophobicContact CB-CB 4.3Å; Q360-L370 HydrophobicContact CB-CD1 4.07Å; Q360-L370 HydrophobicContact CB-CG 4.08Å; Q360-L370 VanDerWaalsContact CD-CD1 3.42Å; Q360-L370 HydrophobicContact CG-CD1 3.64Å; Q360-L370 HydrophobicContact CG-CG 4.23Å; N368-L370 VanDerWaalsContact C-N 3.3Å; N368-L370 PolarHBondContact O-N 3.46Å; N368-L370 PolarHBondContact OD1-N 3.37Å; L370-N372 PolarHBondContact O-N 2.83Å |
| 371 | G | 64 | Low | 68.4 | Low | 38 Ų | 38 | 103.2 Ų | 103.2 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | trans | -57.3 | 124.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113 | N368 | N368-G371 VanDerWaalsContact CG-CA 3.5Å; N368-G371 PolarHBondContact O-N 3.25Å; N368-G371 WeakPolarHBondContact OD1-CA 3.49Å; N368-G371 PolarHBondContact OD1-N 2.71Å | ||
| 372 | N | 50.4 | Low | 67.1 | Low | 129 Ų | 129 | 107.4 Ų | 107.4 | 69% | 0.69 | 55% | 0.546 | S | S | * | . | trans | -56.3 | 135.3 | 160.1 | -130.5 | 26.5 | 0 | 0 | 0 | 107.7 | L370 Y374 | L370-N372 PolarHBondContact O-N 2.83Å; N372-Y374 VanDerWaalsContact C-N 3.28Å; N372-Y374 PolarHBondContact O-N 3.44Å | ||
| 373 | R | 42.8 | Very low | 65.7 | Low | 244 Ų | 244 | 114.5 Ų | 114.5 | 92% | 0.921 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -62.8 | 92.5 | 166.6 | -59.2 | 169.6 | 101.9 | 152.8 | 3.9 | 107.3 | ||
| 374 | Y | 46.8 | Very low | 64.1 | Low | 204 Ų | 204 | 119.8 Ų | 119.8 | 80% | 0.8 | 61% | 0.605 | S | S | * | * | trans | -145.4 | 76.5 | 171.6 | -107.4 | -80.8 | 0 | 0 | 0 | 108.9 | N372 | N372-Y374 VanDerWaalsContact C-N 3.28Å; N372-Y374 PolarHBondContact O-N 3.44Å | ||
| 375 | S | 42 | Very low | 62.4 | Low | 111 Ų | 111 | 121.6 Ų | 121.6 | 78% | 0.776 | 61% | 0.613 | S | S | * | * | trans | -175.4 | 73.3 | 157.5 | 49.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 376 | D | 36.5 | Very low | 60.5 | Low | 167 Ų | 167 | 126.8 Ų | 126.8 | 89% | 0.893 | 63% | 0.63 | S | S | * | * | trans | -128.4 | 89.7 | 149.7 | -92.9 | -34.6 | 0 | 0 | 0 | 104.4 | ||||
| 377 | D | 31.6 | Very low | 58.1 | Low | 244 Ų | 244 | 122.5 Ų | 122.5 | 100% | 1.305 | 62% | 0.619 | S | S | * | * | trans | -158.9 | 0 | 142.1 | -103.1 | -32.3 | 0 | 0 | 0 | 107.9 |
Retrieved 377 of 377 residues in 852.4 ms
(Link to these results)