| 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 | 48 | Very low | 59.6 | Low | 220 Ų | 220 | 161.3 Ų | 161.3 | 100% | 1.084 | 85% | 0.848 | S | S | * | * | 0 | 49.7 | 0 | -56.2 | -150.5 | -175 | 0 | 0 | 107.3 | |||||
| 2 | D | 55.6 | Low | 60 | Low | 139 Ų | 139 | 160.6 Ų | 160.6 | 74% | 0.743 | 85% | 0.845 | S | S | * | * | 100.2 | 88 | 69.5 | -64.3 | -19.9 | 0 | 0 | 0 | 106.5 | |||||
| 3 | E | 57.9 | Low | 59.7 | Low | 188 Ų | 188 | 156.6 Ų | 156.6 | 88% | 0.879 | 84% | 0.839 | S | S | * | * | 79 | 94.2 | 96.2 | -78.6 | -161.2 | 135.8 | 0 | 0 | 112.9 | |||||
| 4 | T | 64 | Low | 60.3 | Low | 151 Ų | 151 | 153.3 Ų | 153.3 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -81 | 109.3 | 163.2 | 33 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 5 | S | 66.6 | Low | 60.1 | Low | 102 Ų | 102 | 152.3 Ų | 152.3 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | -88.2 | 127.1 | 173.8 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 6 | F | 58 | Low | 60.1 | Low | 199 Ų | 199 | 152.5 Ų | 152.5 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | trans | -114.6 | 104.3 | 171.2 | -172.2 | -94.5 | 0 | 0 | 0 | 107.4 | ||||
| 7 | Y | 64.2 | Low | 59.9 | Low | 219 Ų | 219 | 151.6 Ų | 151.6 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | trans | -94.5 | 136.4 | 174.1 | -115.3 | -95 | 0 | 0 | 0 | 109.9 | ||||
| 8 | G | 58.8 | Low | 59.4 | Low | 55 Ų | 55 | 152.3 Ų | 152.3 | 57% | 0.567 | 82% | 0.816 | S | S | * | * | trans | -73 | -179.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 9 | P | 64 | Low | 59.1 | Low | 132 Ų | 132 | 151.7 Ų | 151.7 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 143.9 | -162.7 | 34 | -32.5 | 0 | 0 | 0 | 113.2 | ||
| 10 | Q | 61.4 | Low | 59 | Low | 192 Ų | 192 | 149.3 Ų | 149.3 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 122.5 | 176.4 | -170.1 | 147.5 | -6.3 | 0 | 0 | 110.2 | ||
| 11 | L | 57.5 | Low | 58.8 | Low | 177 Ų | 177 | 153 Ų | 153 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 122.8 | 169.9 | -84.9 | 163.1 | 0 | 0 | 0 | 108.9 | ||
| 12 | D | 64.2 | Low | 58.7 | Low | 153 Ų | 153 | 149.4 Ų | 149.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 127.7 | 176 | -167 | 36.8 | 0 | 0 | 0 | 108.7 | ||
| 13 | S | 56.3 | Low | 58.4 | Low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 143.2 | 175.8 | -117.4 | 0 | 0 | 0 | 0 | 109.1 | ||
| 14 | P | 68.4 | Low | 58 | Low | 110 Ų | 110 | 146.2 Ų | 146.2 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -127 | 116.2 | 145.4 | 30.4 | -16.6 | 0 | 0 | 0 | 111.4 | ||||
| 15 | D | 56.5 | Low | 57.7 | Low | 138 Ų | 138 | 146.3 Ų | 146.3 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | 56.3 | 116.7 | 116.3 | -66.9 | -18.3 | 0 | 0 | 0 | 121 | |||||
| 16 | E | 59.8 | Low | 56.6 | Low | 156 Ų | 156 | 146.8 Ų | 146.8 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | 84.2 | 132.7 | 129.2 | -56.2 | -69.8 | 98.2 | 0 | 0 | 120.6 | |||||
| 17 | D | 58 | Low | 56.2 | Low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 78.6 | 72.7 | 150.8 | -51.4 | -31.8 | 0 | 0 | 0 | 120.1 | D19 | D17-D19 VanDerWaalsContact C-N 3.34Å; D17-D19 PolarHBondContact O-N 2.65Å | ||
| 18 | N | 49.3 | Very low | 55.3 | Low | 164 Ų | 164 | 141.9 Ų | 141.9 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | -83.2 | 78.6 | 155.3 | -170.8 | 30.8 | 0 | 0 | 0 | 110.3 | ||||
| 19 | D | 54.2 | Low | 54.6 | Low | 141 Ų | 141 | 148.2 Ų | 148.2 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -88.3 | 152.3 | 168.6 | -164.5 | 8.7 | 0 | 0 | 0 | 110.4 | D17 | D17-D19 VanDerWaalsContact C-N 3.34Å; D17-D19 PolarHBondContact O-N 2.65Å | ||
| 20 | S | 57 | Low | 53.9 | Low | 103 Ų | 103 | 150 Ų | 150 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | 85.6 | 62.3 | 177.4 | -49.8 | 0 | 0 | 0 | 0 | 116.9 | D22 | S20-D22 PolarHBondContact O-N 3.03Š| ||
| 21 | R | 54.8 | Low | 53 | Low | 228 Ų | 228 | 145.4 Ų | 145.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -64.6 | 114.4 | 153.1 | -62.9 | 171.1 | 91.9 | 167.6 | 6.2 | 109.1 | S23 | R21-S23 PolarHBondContact O-N 3.2Š| ||
| 22 | D | 47.3 | Very low | 52.3 | Low | 144 Ų | 144 | 144.8 Ų | 144.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | 37.5 | 85.2 | 129.6 | -144.9 | 8.5 | 0 | 0 | 0 | 115.3 | S20 | S20-D22 PolarHBondContact O-N 3.03Š| |||
| 23 | S | 49 | Very low | 51.3 | Low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -126.6 | 63.5 | 168.4 | -72.9 | 0 | 0 | 0 | 0 | 109.4 | R21 L25 | R21-S23 PolarHBondContact O-N 3.2Å; S23-L25 VanDerWaalsContact C-N 3.34Å; S23-L25 PolarHBondContact O-N 3.43Å; S23-L25 VanDerWaalsContact O-N 3.15Å | ||
| 24 | L | 48.9 | Very low | 50.8 | Low | 155 Ų | 155 | 146 Ų | 146 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -73.9 | 92.6 | 160.3 | -70.3 | 176.4 | 0 | 0 | 0 | 107.8 | P26 | L24-P26 WeakPolarHBondContact O-CD 3.43Š| ||
| 25 | L | 57.2 | Low | 49.3 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | -65.9 | 123.9 | 171.6 | -67.6 | 175.5 | 0 | 0 | 0 | 109.8 | S23 L27 | S23-L25 VanDerWaalsContact C-N 3.34Å; S23-L25 PolarHBondContact O-N 3.43Å; S23-L25 VanDerWaalsContact O-N 3.15Å; L25-L27 PolarHBondContact O-N 3.46Å | ||
| 26 | P | 44.5 | Very low | 48.8 | Very low | 112 Ų | 112 | 144 Ų | 144 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -63.7 | 124.1 | 167.2 | -21.2 | 34.6 | 0 | 0 | 0 | 109.9 | L24 D28 | L24-P26 WeakPolarHBondContact O-CD 3.43Å; P26-D28 VanDerWaalsContact C-N 3.27Å; P26-D28 PolarHBondContact O-N 3.36Å | ||
| 27 | L | 49.3 | Very low | 48.2 | Very low | 173 Ų | 173 | 143 Ų | 143 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -91.8 | 62.8 | -177.4 | -146.1 | 128.5 | 0 | 0 | 0 | 109 | L25 | L25-L27 PolarHBondContact O-N 3.46Š| ||
| 28 | D | 45.3 | Very low | 48.4 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | trans | -127.7 | 140.4 | 171 | -77.3 | -47.1 | 0 | 0 | 0 | 108.1 | P26 | P26-D28 VanDerWaalsContact C-N 3.27Å; P26-D28 PolarHBondContact O-N 3.36Å | ||
| 29 | E | 43 | Very low | 48.9 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | 82.6 | 76 | 174.9 | -55.9 | -171.7 | 109.9 | 0 | 0 | 118.3 | ||||
| 30 | L | 50.7 | Low | 49.4 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -117.9 | 91.4 | 136.2 | -68.9 | 178 | 0 | 0 | 0 | 106.9 | ||||
| 31 | S | 42.3 | Very low | 50.2 | Low | 96 Ų | 96 | 140.2 Ų | 140.2 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | 76.1 | 94.1 | 97.6 | 81.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 32 | N | 42.6 | Very low | 51.2 | Low | 164 Ų | 164 | 135.3 Ų | 135.3 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | 28.5 | 137.9 | 126.9 | -70 | -15.8 | 0 | 0 | 0 | 120 | |||||
| 33 | A | 42 | Very low | 52.5 | Low | 95 Ų | 95 | 134.3 Ų | 134.3 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 100.6 | 84 | 151.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 34 | E | 46.2 | Very low | 53.6 | Low | 192 Ų | 192 | 133 Ų | 133 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | -175.7 | 111.9 | 104.2 | -105.9 | 179.5 | 136.5 | 0 | 0 | 109.4 | G36 | E34-G36 VanDerWaalsContact C-N 3.26Å; E34-G36 PolarHBondContact O-N 3.25Å | |||
| 35 | T | 38.4 | Very low | 54.7 | Low | 145 Ų | 145 | 129 Ų | 129 | 89% | 0.89 | 72% | 0.717 | S | S | * | * | trans | -72.9 | 79.7 | 172.1 | 46.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 36 | G | 45.7 | Very low | 55.5 | Low | 61 Ų | 61 | 126 Ų | 126 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | trans | -95 | 85.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | E34 V38 | E34-G36 VanDerWaalsContact C-N 3.26Å; E34-G36 PolarHBondContact O-N 3.25Å; G36-V38 PolarHBondContact O-N 3.41Å | ||
| 37 | T | 46.9 | Very low | 56.9 | Low | 136 Ų | 136 | 128.7 Ų | 128.7 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | trans | -71.1 | 72.9 | 174.9 | 55.5 | 0 | 0 | 0 | 0 | 110.2 | K39 | T37-K39 PolarHBondContact O-N 3Š| ||
| 38 | V | 62 | Low | 57.7 | Low | 115 Ų | 115 | 127 Ų | 127 | 70% | 0.697 | 69% | 0.685 | S | S | * | * | trans | -79.2 | 106.8 | 165.5 | -166.3 | 0 | 0 | 0 | 0 | 105.4 | G36 L40 | G36-V38 PolarHBondContact O-N 3.41Å; V38-L40 PolarHBondContact O-N 3.27Å | ||
| 39 | K | 59.9 | Low | 58.7 | Low | 198 Ų | 198 | 126.3 Ų | 126.3 | 86% | 0.861 | 68% | 0.68 | S | S | * | * | trans | -62.8 | 92.8 | 168.8 | -71.4 | 179.4 | 178.8 | -177.9 | 0 | 106.8 | T37 T41 | T37-K39 PolarHBondContact O-N 3Å; K39-T41 PolarHBondContact O-N 2.97Å; K39-T41 VanDerWaalsContact O-N 3.15Å | ||
| 40 | L | 64.7 | Low | 59.8 | Low | 77 Ų | 77 | 123.9 Ų | 123.9 | 40% | 0.403 | 67% | 0.669 | S | S | . | * | trans | -57.2 | 120.8 | 170.1 | -91.5 | 89.5 | 0 | 0 | 0 | 107.1 | V38 E44 I45 | V38-L40 PolarHBondContact O-N 3.27Å; L40-E44 HydrophobicContact CB-CB 4.46Å; L40-E44 HydrophobicContact CD2-CB 4.03Å; L40-E44 HydrophobicContact CD2-CG 3.69Å; L40-E44 HydrophobicContact CG-CB 4.37Å; L40-E44 HydrophobicContact CG-CG 4.23Å; L40-I45 HydrophobicContact CB-CD1 4.42Å; L40-I45 HydrophobicContact CB-CG1 3.95Å | ||
| 41 | T | 73.9 | Confident | 60.5 | Low | 96 Ų | 96 | 121.4 Ų | 121.4 | 59% | 0.589 | 66% | 0.663 | S | S | * | * | trans | -58.2 | 146.3 | 171 | 41.6 | 0 | 0 | 0 | 0 | 109.4 | K39 E43 E44 I45 | K39-T41 PolarHBondContact O-N 2.97Å; K39-T41 VanDerWaalsContact O-N 3.15Å; T41-E43 PolarHBondContact O-N 3.17Å; T41-E44 WeakPolarHBondContact O-CA 3.21Å; T41-E44 WeakPolarHBondContact O-CB 3.39Å; T41-E44 PolarHBondContact O-N 2.79Å; T41-I45 PolarHBondContact O-N 2.98Å | ||
| 42 | D | 74.6 | Confident | 61.3 | Low | 125 Ų | 125 | 123.5 Ų | 123.5 | 67% | 0.668 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -51.9 | -29.9 | -178.8 | -138.5 | 25.6 | 0 | 0 | 0 | 112 | I45 L46 | D42-I45 PolarHBondContact O-N 3.35Å; D42-L46 WeakPolarHBondContact O-CB 3.48Å; D42-L46 VanDerWaalsContact O-CG 3.31Å; D42-L46 WeakPolarHBondContact O-CG 3.37Å; D42-L46 PolarHBondContact O-N 3.37Å |
| 43 | E | 75.3 | Confident | 61.7 | Low | 123 Ų | 123 | 124 Ų | 124 | 58% | 0.575 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.7 | -28.2 | 174.9 | -66.9 | -64.8 | -155.2 | 0 | 0 | 115.7 | T41 L46 R47 | T41-E43 PolarHBondContact O-N 3.17Å; E43-L46 WeakPolarHBondContact OE2-CD1 3.35Å; E43-R47 WeakPolarHBondContact O-CB 3.48Å; E43-R47 WeakPolarHBondContact O-CG 3.3Å; E43-R47 PolarHBondContact O-N 3.27Å |
| 44 | E | 71.8 | Confident | 62.7 | Low | 79 Ų | 79 | 124.1 Ų | 124.1 | 37% | 0.369 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -77.1 | -33 | 174.1 | -162.4 | 66.3 | -163.6 | 0 | 0 | 110.2 | L40 T41 R47 Q48 | L40-E44 HydrophobicContact CB-CB 4.46Å; L40-E44 HydrophobicContact CD2-CB 4.03Å; L40-E44 HydrophobicContact CD2-CG 3.69Å; L40-E44 HydrophobicContact CG-CB 4.37Å; L40-E44 HydrophobicContact CG-CG 4.23Å; T41-E44 WeakPolarHBondContact O-CA 3.21Å; T41-E44 WeakPolarHBondContact O-CB 3.39Å; T41-E44 PolarHBondContact O-N 2.79Å; E44-R47 PolarHBondContact O-N 3Å; E44-Q48 WeakPolarHBondContact O-CG 3.45Å; E44-Q48 PolarHBondContact O-N 3.48Å |
| 45 | I | 73.3 | Confident | 63.3 | Low | 70 Ų | 70 | 120.9 Ų | 120.9 | 36% | 0.359 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -65.9 | -44.2 | 171.7 | -58.3 | 174.3 | 0 | 0 | 0 | 109.8 | L40 T41 D42 Q48 L49 | L40-I45 HydrophobicContact CB-CD1 4.42Å; L40-I45 HydrophobicContact CB-CG1 3.95Å; T41-I45 PolarHBondContact O-N 2.98Å; D42-I45 PolarHBondContact O-N 3.35Å; I45-Q48 PolarHBondContact O-N 3.06Å; I45-L49 HydrophobicContact CG2-CD1 3.89Å; I45-L49 HydrophobicContact CG2-CG 4.48Å; I45-L49 WeakPolarHBondContact O-CB 3.48Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.33Å; I45-L49 PolarHBondContact O-N 3.33Å |
| 46 | L | 73.2 | Confident | 64.1 | Low | 90 Ų | 90 | 121 Ų | 121 | 47% | 0.471 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.3 | -39.7 | 176.6 | -75.4 | 168.2 | 0 | 0 | 0 | 112.2 | D42 E43 Q48 L49 E50 | D42-L46 WeakPolarHBondContact O-CB 3.48Å; D42-L46 VanDerWaalsContact O-CG 3.31Å; D42-L46 WeakPolarHBondContact O-CG 3.37Å; D42-L46 PolarHBondContact O-N 3.37Å; E43-L46 WeakPolarHBondContact OE2-CD1 3.35Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 3.5Å; L46-L49 CarbonylContact O-C 3.5Å; L46-L49 PolarHBondContact O-N 3.5Å; L46-E50 PolarHBondContact O-N 2.96Å |
| 47 | R | 73.3 | Confident | 64.4 | Low | 169 Ų | 169 | 121.7 Ų | 121.7 | 64% | 0.638 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65 | -33 | 173.8 | -76.4 | 171.7 | 177.6 | -167.2 | -1.3 | 113.7 | E43 E44 | E43-R47 WeakPolarHBondContact O-CB 3.48Å; E43-R47 WeakPolarHBondContact O-CG 3.3Å; E43-R47 PolarHBondContact O-N 3.27Å; E44-R47 PolarHBondContact O-N 3Å |
| 48 | Q | 66.7 | Low | 64.4 | Low | 137 Ų | 137 | 118.7 Ų | 118.7 | 64% | 0.64 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.5 | -22.8 | 174.2 | -72.6 | -174.5 | 8.5 | 0 | 0 | 113.1 | E44 I45 L46 | E44-Q48 WeakPolarHBondContact O-CG 3.45Å; E44-Q48 PolarHBondContact O-N 3.48Å; I45-Q48 PolarHBondContact O-N 3.06Å; L46-Q48 VanDerWaalsContact C-N 3.33Å; L46-Q48 PolarHBondContact O-N 3.5Å |
| 49 | L | 65.5 | Low | 64.1 | Low | 127 Ų | 127 | 120 Ų | 120 | 67% | 0.665 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -91.3 | -9.5 | 174.8 | -68.7 | 174 | 0 | 0 | 0 | 113.3 | I45 L46 P51 | I45-L49 HydrophobicContact CG2-CD1 3.89Å; I45-L49 HydrophobicContact CG2-CG 4.48Å; I45-L49 WeakPolarHBondContact O-CB 3.48Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.33Å; I45-L49 PolarHBondContact O-N 3.33Å; L46-L49 CarbonylContact O-C 3.5Å; L46-L49 PolarHBondContact O-N 3.5Å; L49-P51 WeakPolarHBondContact O-CD 3.43Å |
| 50 | E | 66.1 | Low | 64 | Low | 137 Ų | 137 | 121.5 Ų | 121.5 | 64% | 0.64 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -59.3 | 123.2 | 169.1 | -85.9 | -169.3 | 168.1 | 0 | 0 | 108.7 | L46 I52 | L46-E50 PolarHBondContact O-N 2.96Å; E50-I52 PolarHBondContact O-N 2.93Å |
| 51 | P | 65.9 | Low | 63.9 | Low | 118 Ų | 118 | 126.9 Ų | 126.9 | 77% | 0.766 | 65% | 0.654 | S | S | * | * | trans | -58 | 111.5 | 178.4 | -21.3 | 31.4 | 0 | 0 | 0 | 108.3 | L49 H53 | L49-P51 WeakPolarHBondContact O-CD 3.43Å; P51-H53 VanDerWaalsContact C-N 3.31Å; P51-H53 PolarHBondContact O-N 3.33Å | ||
| 52 | I | 59 | Low | 63.1 | Low | 140 Ų | 140 | 126.7 Ų | 126.7 | 72% | 0.718 | 66% | 0.662 | S | S | * | * | trans | -52.2 | 104 | 169.4 | -60.4 | 171.3 | 0 | 0 | 0 | 105.6 | E50 D54 | E50-I52 PolarHBondContact O-N 2.93Å; I52-D54 PolarHBondContact O-N 2.91Å | ||
| 53 | H | 52 | Low | 62.6 | Low | 175 Ų | 175 | 132 Ų | 132 | 81% | 0.81 | 67% | 0.673 | S | S | * | * | trans | -74.2 | 73.5 | 178.4 | -162.4 | 99.2 | 0 | 0 | 0 | 106.4 | P51 P55 | P51-H53 VanDerWaalsContact C-N 3.31Å; P51-H53 PolarHBondContact O-N 3.33Å; H53-P55 WeakPolarHBondContact O-CD 3.39Å | ||
| 54 | D | 61.4 | Low | 62.2 | Low | 97 Ų | 97 | 131.2 Ų | 131.2 | 52% | 0.519 | 68% | 0.681 | S | S | . | * | trans | -63.8 | 112.1 | 171.8 | -84.4 | -33.5 | 0 | 0 | 0 | 107.3 | I52 N56 S57 | I52-D54 PolarHBondContact O-N 2.91Å; D54-N56 PolarHBondContact O-N 3.2Å; D54-S57 VanDerWaalsContact O-CB 3.28Å; D54-S57 WeakPolarHBondContact O-CB 3.41Å; D54-S57 PolarHBondContact O-N 2.91Å | ||
| 55 | P | 59.1 | Low | 62 | Low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 8.4 | 179 | 29.5 | -34.3 | 0 | 0 | 0 | 113.1 | H53 | H53-P55 WeakPolarHBondContact O-CD 3.39Š|
| 56 | N | 55.1 | Low | 61.8 | Low | 148 Ų | 148 | 142.9 Ų | 142.9 | 79% | 0.791 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 7.5 | 172.2 | -102.2 | -36.4 | 0 | 0 | 0 | 114 | D54 G58 | D54-N56 PolarHBondContact O-N 3.2Å; N56-G58 PolarHBondContact O-N 2.83Å |
| 57 | S | 52.2 | Low | 61.5 | Low | 74 Ų | 74 | 145.9 Ų | 145.9 | 52% | 0.517 | 74% | 0.738 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83 | 7.3 | 179.5 | 178 | 0 | 0 | 0 | 0 | 113.9 | D54 L59 | D54-S57 VanDerWaalsContact O-CB 3.28Å; D54-S57 WeakPolarHBondContact O-CB 3.41Å; D54-S57 PolarHBondContact O-N 2.91Å; S57-L59 VanDerWaalsContact C-N 3.35Å; S57-L59 PolarHBondContact O-N 2.9Å |
| 58 | G | 47 | Very low | 61.3 | Low | 73 Ų | 73 | 144.6 Ų | 144.6 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 1.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | N56 | N56-G58 PolarHBondContact O-N 2.83Š|
| 59 | L | 57 | Low | 61.6 | Low | 142 Ų | 142 | 142.2 Ų | 142.2 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | -120.6 | 59.1 | -178.9 | -61.6 | 176.4 | 0 | 0 | 0 | 111.4 | S57 K61 | S57-L59 VanDerWaalsContact C-N 3.35Å; S57-L59 PolarHBondContact O-N 2.9Å; L59-K61 PolarHBondContact O-N 3.33Å | ||
| 60 | R | 57.2 | Low | 62.3 | Low | 231 Ų | 231 | 142.9 Ų | 142.9 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | trans | -65.2 | 90.6 | 157.3 | -69 | -168 | 179.5 | -157.4 | -0.2 | 107 | A62 | R60-A62 VanDerWaalsContact C-N 3.33Å; R60-A62 PolarHBondContact O-N 3.45Å | ||
| 61 | K | 61.4 | Low | 63.2 | Low | 189 Ų | 189 | 136.9 Ų | 136.9 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | trans | -49.2 | 101.4 | 169.4 | -79.1 | 152.1 | 179.4 | 164.9 | 0 | 106.7 | L59 R63 | L59-K61 PolarHBondContact O-N 3.33Å; K61-R63 PolarHBondContact O-N 2.9Å | ||
| 62 | A | 58 | Low | 64.3 | Low | 93 Ų | 93 | 135.2 Ų | 135.2 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | trans | -53 | 110.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | R60 S64 | R60-A62 VanDerWaalsContact C-N 3.33Å; R60-A62 PolarHBondContact O-N 3.45Å; A62-S64 VanDerWaalsContact C-N 3.32Å; A62-S64 PolarHBondContact O-N 3.46Å | ||
| 63 | R | 63.2 | Low | 65.8 | Low | 235 Ų | 235 | 131.5 Ų | 131.5 | 89% | 0.887 | 67% | 0.668 | S | S | * | * | trans | -56.6 | 103.2 | 178.2 | -175 | 178.9 | -170.7 | 177.9 | 3.4 | 105.6 | K61 R65 | K61-R63 PolarHBondContact O-N 2.9Å; R63-R65 PolarHBondContact O-N 3.47Å | ||
| 64 | S | 68.4 | Low | 67.5 | Low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | trans | -55.1 | 106.6 | -179.6 | -177.7 | 0 | 0 | 0 | 0 | 106.8 | A62 K66 | A62-S64 VanDerWaalsContact C-N 3.32Å; A62-S64 PolarHBondContact O-N 3.46Å; S64-K66 PolarHBondContact O-N 3.05Å | ||
| 65 | R | 67.5 | Low | 68.8 | Low | 211 Ų | 211 | 132.3 Ų | 132.3 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | trans | -60.1 | 125.8 | 173.1 | -71.1 | -174.1 | -71 | 149.2 | -3.4 | 104.9 | R63 L67 | R63-R65 PolarHBondContact O-N 3.47Å; R65-L67 PolarHBondContact O-N 3.48Å | ||
| 66 | K | 69.1 | Low | 70.3 | Confident | 184 Ų | 184 | 126.6 Ų | 126.6 | 80% | 0.8 | 62% | 0.619 | S | S | * | * | trans | -52.4 | 107.1 | 173.7 | -67 | -178.2 | 179.6 | -178.6 | 0 | 106.9 | S64 F68 | S64-K66 PolarHBondContact O-N 3.05Å; K66-F68 PolarHBondContact O-N 3.39Å; K66-F68 VanDerWaalsContact O-N 3.08Å | ||
| 67 | L | 67.5 | Low | 72 | Confident | 152 Ų | 152 | 120.8 Ų | 120.8 | 80% | 0.796 | 59% | 0.589 | S | S | * | * | trans | -72.6 | 104.7 | 176.6 | -63.8 | 179.3 | 0 | 0 | 0 | 105.5 | R65 | R65-L67 PolarHBondContact O-N 3.48Š| ||
| 68 | F | 68.7 | Low | 73.6 | Confident | 143 Ų | 143 | 117.5 Ų | 117.5 | 63% | 0.627 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 131.4 | 171.2 | -68.3 | -78.2 | 0 | 0 | 0 | 108.1 | K66 K70 | K66-F68 PolarHBondContact O-N 3.39Å; K66-F68 VanDerWaalsContact O-N 3.08Å; F68-K70 PolarHBondContact O-N 3.08Å |
| 69 | P | 71.5 | Confident | 75.4 | Confident | 86 Ų | 86 | 117.5 Ų | 117.5 | 56% | 0.558 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 130.5 | 171.2 | -25.4 | 34.1 | 0 | 0 | 0 | 109.1 | F119 | P69-F119 HydrophobicContact CB-CE1 4.19Å; P69-F119 WeakPolarHBondContact O-CD1 3.39Å; P69-F119 WeakPolarHBondContact O-CE1 3.29Å |
| 70 | K | 80.2 | Confident | 76.6 | Confident | 142 Ų | 142 | 111.7 Ų | 111.7 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -95.7 | 147.4 | 177 | -68.4 | -179.3 | -178.6 | 177.1 | 0 | 110.3 | F68 D72 F119 | F68-K70 PolarHBondContact O-N 3.08Å; K70-D72 WeakPolarHBondContact CB-OD1 3.28Å; K70-D72 PolarHBondContact O-N 3.33Å; K70-F119 WeakPolarHBondContact O-CE1 3.48Å; K70-F119 VanDerWaalsContact O-CZ 3.23Å; K70-F119 WeakPolarHBondContact O-CZ 3.14Å |
| 71 | L | 86.8 | Confident | 78.1 | Confident | 10 Ų | 10 | 100.7 Ų | 100.7 | 5% | 0.052 | 48% | 0.481 | C | S | . | . | trans | -72 | 87.6 | 169.7 | -176.3 | 45.2 | 0 | 0 | 0 | 107.8 | L76 F119 L127 R130 L131 L134 | L71-L76 HydrophobicContact CD1-CB 4.26Å; L71-L76 HydrophobicContact CD1-CD1 4.47Å; L71-F119 VanDerWaalsContact CA-CE2 3.45Å; L71-F119 HydrophobicContact CB-CD1 4.18Å; L71-F119 HydrophobicContact CB-CD2 3.55Å; L71-F119 HydrophobicContact CB-CE1 3.96Å; L71-F119 HydrophobicContact CB-CE2 3.27Å; L71-F119 HydrophobicContact CB-CG 4.02Å; L71-F119 HydrophobicContact CB-CZ 3.5Å; L71-F119 VanDerWaalsContact CB-CZ 3.5Å; L71-F119 HydrophobicContact CD1-CD2 3.95Å; L71-F119 HydrophobicContact CD1-CE2 3.21Å; L71-F119 HydrophobicContact CD1-CZ 3.91Å; L71-F119 HydrophobicContact CD2-CD2 3.9Å; L71-F119 HydrophobicContact CD2-CE2 4.02Å; L71-F119 HydrophobicContact CG-CD2 3.93Å; L71-F119 HydrophobicContact CG-CE2 3.57Å; L71-F119 HydrophobicContact CG-CZ 4.19Å; L71-L127 HydrophobicContact CD2-CD1 3.84Å; L71-R130 HydrophobicContact CD2-CB 3.81Å; L71-R130 HydrophobicContact CG-CB 4.46Å; L71-L131 HydrophobicContact CD2-CD2 4.27Å; L71-L131 HydrophobicContact CD2-CG 4.32Å; L71-L134 HydrophobicContact CB-CD1 4.5Å; L71-L134 HydrophobicContact CD1-CD1 3.63Å; L71-L134 HydrophobicContact CD2-CD1 4.4Å; L71-L134 HydrophobicContact CG-CD1 3.52Å | ||
| 72 | D | 88.3 | Confident | 79.5 | Confident | 84 Ų | 84 | 93.1 Ų | 93.1 | 45% | 0.449 | 45% | 0.45 | S | S | . | . | trans | -109.5 | 159.3 | 177.7 | -64.4 | -23.2 | 0 | 0 | 0 | 109.4 | K70 R74 R75 L76 | K70-D72 WeakPolarHBondContact CB-OD1 3.28Å; K70-D72 PolarHBondContact O-N 3.33Å; D72-R74 PolarHBondContact O-N 3.4Å; D72-R74 VanDerWaalsContact O-N 3.16Å; D72-R75 PolarHBondContact O-N 2.84Å; D72-L76 PolarHBondContact O-N 2.94Å | ||
| 73 | E | 89.8 | Confident | 80.9 | Confident | 61 Ų | 61 | 89.9 Ų | 89.9 | 29% | 0.285 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -50.4 | -43.7 | 179.2 | -60.8 | 157.2 | -125.3 | 0 | 0 | 111.8 | R75 L76 T77 L134 K137 A139 V140 | E73-R75 VanDerWaalsContact C-N 3.28Å; E73-R75 PolarHBondContact O-N 3.15Å; E73-L76 PolarHBondContact O-N 2.91Å; E73-T77 WeakPolarHBondContact O-CG2 3.39Å; E73-T77 PolarHBondContact O-N 3.46Å; E73-T77 PolarHBondContact O-OG1 2.9Å; E73-L134 HydrophobicContact CG-CD2 3.9Å; E73-K137 HydrophobicContact CG-CB 4.39Å; E73-K137 HydrophobicContact CG-CD 3.46Å; E73-K137 VanDerWaalsContact CG-CD 3.46Å; E73-K137 WeakPolarHBondContact OE1-CD 3.42Å; E73-K137 WeakPolarHBondContact OE1-CE 3.47Å; E73-K137 IonicContact OE1-NZ 3.6Å; E73-K137 PolarHBondContact OE1-NZ 3.29Å; E73-A139 WeakPolarHBondContact OE2-CB 3.47Å; E73-V140 HydrophobicContact CB-CG2 4.15Å; E73-V140 HydrophobicContact CG-CG2 4.07Å |
| 74 | R | 88.3 | Confident | 82.1 | Confident | 186 Ų | 186 | 80.3 Ų | 80.3 | 70% | 0.702 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.9 | -30.9 | -179.8 | -65 | -175.4 | 177.1 | -165.2 | -0.8 | 113.5 | D72 G78 Q160 | D72-R74 PolarHBondContact O-N 3.4Å; D72-R74 VanDerWaalsContact O-N 3.16Å; R74-G78 WeakPolarHBondContact O-CA 3.22Å; R74-G78 PolarHBondContact O-N 3.48Å; R74-Q160 PolarHBondContact O-NE2 3.37Å |
| 75 | R | 88.6 | Confident | 83.1 | Confident | 104 Ų | 104 | 76.2 Ų | 76.2 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -81.9 | -36.8 | 179.4 | -174 | 54.6 | 174.8 | -138.2 | 0.6 | 110.3 | D72 E73 G78 M118 F119 | D72-R75 PolarHBondContact O-N 2.84Å; E73-R75 VanDerWaalsContact C-N 3.28Å; E73-R75 PolarHBondContact O-N 3.15Å; R75-G78 PolarHBondContact O-N 3Å; R75-M118 HydrophobicContact CG-SD 4.43Å; R75-F119 HydrophobicContact CB-CZ 4.24Å; R75-F119 HydrophobicContact CG-CE1 4.48Å; R75-F119 HydrophobicContact CG-CE2 4.27Å; R75-F119 HydrophobicContact CG-CZ 3.58Å |
| 76 | L | 91.1 | Very high | 83.9 | Confident | 4 Ų | 4 | 70.7 Ų | 70.7 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 175.5 | -174.9 | 61 | 0 | 0 | 0 | 112.7 | L71 D72 E73 G78 G81 L82 W114 L131 L134 V140 | L71-L76 HydrophobicContact CD1-CB 4.26Å; L71-L76 HydrophobicContact CD1-CD1 4.47Å; D72-L76 PolarHBondContact O-N 2.94Å; E73-L76 PolarHBondContact O-N 2.91Å; L76-G78 VanDerWaalsContact C-N 3.35Å; L76-G81 CarbonylContact O-C 3.58Å; L76-G81 WeakPolarHBondContact O-CA 3.38Å; L76-L82 HydrophobicContact CD1-CD1 4.39Å; L76-L82 HydrophobicContact CD1-CD2 3.94Å; L76-L82 HydrophobicContact CD1-CG 3.82Å; L76-L82 HydrophobicContact CG-CD1 4.06Å; L76-L82 HydrophobicContact CG-CD2 4.49Å; L76-L82 HydrophobicContact CG-CG 4Å; L76-L82 PolarHBondContact O-N 3.42Å; L76-W114 HydrophobicContact CD1-CH2 3.72Å; L76-W114 HydrophobicContact CD1-CZ2 4.01Å; L76-L131 HydrophobicContact CD1-CD2 3.56Å; L76-L131 HydrophobicContact CD2-CD2 4.04Å; L76-L131 HydrophobicContact CG-CD2 4.46Å; L76-L134 HydrophobicContact CB-CD1 4.48Å; L76-L134 HydrophobicContact CD2-CB 4.04Å; L76-L134 HydrophobicContact CD2-CD1 4.05Å; L76-V140 HydrophobicContact CD2-CG1 4.06Å; L76-V140 HydrophobicContact CD2-CG2 4.28Å |
| 77 | T | 89.9 | Confident | 84.6 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 16% | 0.16 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -88.3 | -2.5 | 177.6 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | E73 V140 Y143 | E73-T77 WeakPolarHBondContact O-CG2 3.39Å; E73-T77 PolarHBondContact O-N 3.46Å; E73-T77 PolarHBondContact O-OG1 2.9Å; T77-V140 HydrophobicContact CG2-CG2 4.38Å; T77-Y143 HydrophobicContact CG2-CD1 3.7Å; T77-Y143 HydrophobicContact CG2-CD2 3.87Å; T77-Y143 HydrophobicContact CG2-CE1 4.15Å; T77-Y143 HydrophobicContact CG2-CE2 4.29Å; T77-Y143 HydrophobicContact CG2-CG 3.52Å; T77-Y143 WeakPolarHBondContact O-CE2 3.34Å; T77-Y143 PolarHBondContact O-OH 2.88Å |
| 78 | G | 87.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 62.2 Ų | 62.2 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -75.6 | -174.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R74 R75 L76 S80 G81 | R74-G78 WeakPolarHBondContact O-CA 3.22Å; R74-G78 PolarHBondContact O-N 3.48Å; R75-G78 PolarHBondContact O-N 3Å; L76-G78 VanDerWaalsContact C-N 3.35Å; G78-S80 VanDerWaalsContact C-N 3.31Å; G78-S80 PolarHBondContact O-N 3.26Å; G78-G81 WeakPolarHBondContact O-CA 3.43Å; G78-G81 PolarHBondContact O-N 3.43Å |
| 79 | T | 82.9 | Confident | 85.4 | Confident | 74 Ų | 74 | 57.2 Ų | 57.2 | 45% | 0.454 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -30.4 | -173 | 66.6 | 0 | 0 | 0 | 0 | 114.8 | G81 T84 M157 | T79-G81 VanDerWaalsContact C-N 3.29Å; T79-T84 PolarHBondContact O-OG1 2.98Å; T79-M157 HydrophobicContact CG2-CE 3.47Å; T79-M157 VanDerWaalsContact CG2-CE 3.47Å; T79-M157 HydrophobicContact CG2-SD 3.25Å; T79-M157 WeakPolarHBondContact CG2-SD 3.2Å |
| 80 | S | 83.1 | Confident | 85.5 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -1.6 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 112.9 | G78 T84 W114 H117 M118 | G78-S80 VanDerWaalsContact C-N 3.31Å; G78-S80 PolarHBondContact O-N 3.26Å; S80-T84 VanDerWaalsContact C-OG1 3.24Å; S80-T84 VanDerWaalsContact CA-OG1 3.29Å; S80-T84 WeakPolarHBondContact CA-OG1 3.38Å; S80-T84 PolarHBondContact O-OG1 2.91Å; S80-W114 PolarHBondContact O-NE1 2.9Å; S80-H117 PolarHBondContact OG-CE1 2.97Å; S80-H117 PolarHBondContact OG-ND1 3.3Å; S80-M118 WeakPolarHBondContact O-CE 3.37Å |
| 81 | G | 89.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -66.7 | -149.4 | -168 | 0 | 0 | 0 | 0 | 0 | 117.5 | L76 G78 T79 P83 T84 L85 W114 | L76-G81 CarbonylContact O-C 3.58Å; L76-G81 WeakPolarHBondContact O-CA 3.38Å; G78-G81 WeakPolarHBondContact O-CA 3.43Å; G78-G81 PolarHBondContact O-N 3.43Å; T79-G81 VanDerWaalsContact C-N 3.29Å; G81-P83 VanDerWaalsContact C-N 3.26Å; G81-T84 PolarHBondContact O-N 3.26Å; G81-L85 PolarHBondContact O-N 2.88Å; G81-W114 PolarHBondContact O-NE1 3.46Å |
| 82 | L | 89.6 | Confident | 83.7 | Confident | 31 Ų | 31 | 57.7 Ų | 57.7 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -50.5 | -35.8 | 164.1 | -64.2 | 170 | 0 | 0 | 0 | 113.8 | L76 T84 L85 L86 Y143 L144 M147 | L76-L82 HydrophobicContact CD1-CD1 4.39Å; L76-L82 HydrophobicContact CD1-CD2 3.94Å; L76-L82 HydrophobicContact CD1-CG 3.82Å; L76-L82 HydrophobicContact CG-CD1 4.06Å; L76-L82 HydrophobicContact CG-CD2 4.49Å; L76-L82 HydrophobicContact CG-CG 4Å; L76-L82 PolarHBondContact O-N 3.42Å; L82-T84 PolarHBondContact O-N 3.03Å; L82-L85 WeakPolarHBondContact O-CB 3.45Å; L82-L85 PolarHBondContact O-N 3.06Å; L82-L86 PolarHBondContact O-N 3Å; L82-Y143 HydrophobicContact CB-CE1 4.11Å; L82-Y143 HydrophobicContact CD1-CD1 4Å; L82-Y143 HydrophobicContact CD1-CE1 3.88Å; L82-L144 HydrophobicContact CD1-CD2 3.84Å; L82-L144 HydrophobicContact CD1-CG 4.5Å; L82-M147 HydrophobicContact CB-CE 3.88Å |
| 83 | P | 88.1 | Confident | 82.5 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 16% | 0.162 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 176.4 | -26.1 | 37 | 0 | 0 | 0 | 113.1 | G81 L86 S87 Y143 M147 F152 | G81-P83 VanDerWaalsContact C-N 3.26Å; P83-L86 PolarHBondContact O-N 3Å; P83-S87 WeakPolarHBondContact O-CB 3.46Å; P83-S87 PolarHBondContact O-N 3.35Å; P83-Y143 WeakPolarHBondContact CD-OH 3.1Å; P83-Y143 WeakPolarHBondContact CG-OH 3.49Å; P83-M147 HydrophobicContact CG-CE 4.5Å; P83-F152 HydrophobicContact CB-CE1 4.29Å; P83-F152 HydrophobicContact CG-CE1 3.85Å; P83-F152 HydrophobicContact CG-CZ 4.07Å |
| 84 | T | 87.7 | Confident | 81.5 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 20% | 0.202 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 176.6 | -52.5 | 0 | 0 | 0 | 0 | 109.7 | T79 S80 G81 L82 L86 S87 T88 | T79-T84 PolarHBondContact O-OG1 2.98Å; S80-T84 VanDerWaalsContact C-OG1 3.24Å; S80-T84 VanDerWaalsContact CA-OG1 3.29Å; S80-T84 WeakPolarHBondContact CA-OG1 3.38Å; S80-T84 PolarHBondContact O-OG1 2.91Å; G81-T84 PolarHBondContact O-N 3.26Å; L82-T84 PolarHBondContact O-N 3.03Å; T84-L86 VanDerWaalsContact C-N 3.28Å; T84-L86 PolarHBondContact O-N 3.43Å; T84-S87 PolarHBondContact O-N 3.35Å; T84-S87 VanDerWaalsContact O-N 3.12Å; T84-T88 HydrophobicContact CG2-CG2 4.11Å; T84-T88 PolarHBondContact O-N 2.79Å; T84-T88 PolarHBondContact O-OG1 2.76Å |
| 85 | L | 88.7 | Confident | 80.6 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 12% | 0.115 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -53.1 | -45.9 | 176.4 | -173.4 | 58.4 | 0 | 0 | 0 | 112.2 | G81 L82 H89 V90 I111 W114 | G81-L85 PolarHBondContact O-N 2.88Å; L82-L85 WeakPolarHBondContact O-CB 3.45Å; L82-L85 PolarHBondContact O-N 3.06Å; L85-H89 HydrophobicContact CD1-CB 3.81Å; L85-H89 VanDerWaalsContact O-CB 3.32Å; L85-H89 WeakPolarHBondContact O-CB 3.49Å; L85-H89 PolarHBondContact O-N 3.26Å; L85-V90 PolarHBondContact O-N 3.45Å; L85-I111 HydrophobicContact CD1-CD1 3.76Å; L85-I111 HydrophobicContact CD2-CD1 4.11Å; L85-I111 HydrophobicContact CG-CD1 4.4Å; L85-W114 HydrophobicContact CB-CD2 4.29Å; L85-W114 HydrophobicContact CB-CG 4.33Å; L85-W114 HydrophobicContact CB-CZ2 4.44Å; L85-W114 HydrophobicContact CD1-CB 3.88Å; L85-W114 HydrophobicContact CD1-CD2 3.91Å; L85-W114 HydrophobicContact CD1-CE3 4.33Å; L85-W114 HydrophobicContact CD1-CG 3.68Å; L85-W114 HydrophobicContact CD2-CD2 4.01Å; L85-W114 HydrophobicContact CD2-CE3 4Å; L85-W114 HydrophobicContact CD2-CH2 4.15Å; L85-W114 HydrophobicContact CD2-CZ2 4.17Å; L85-W114 HydrophobicContact CD2-CZ3 4.06Å; L85-W114 HydrophobicContact CG-CD2 4.3Å; L85-W114 HydrophobicContact CG-CG 4.43Å |
| 86 | L | 85.8 | Confident | 79.8 | Confident | 94 Ų | 94 | 50.9 Ų | 50.9 | 49% | 0.492 | 32% | 0.321 | S | S | . | . | I | π-helix | trans | -68.6 | -39.7 | 179.8 | -170.8 | 62.1 | 0 | 0 | 0 | 112.3 | L82 P83 T84 M147 | L82-L86 PolarHBondContact O-N 3Å; P83-L86 PolarHBondContact O-N 3Å; T84-L86 VanDerWaalsContact C-N 3.28Å; T84-L86 PolarHBondContact O-N 3.43Å; L86-M147 HydrophobicContact CD2-CG 4.38Å; L86-M147 HydrophobicContact CD2-SD 3.92Å |
| 87 | S | 82.8 | Confident | 78.7 | Confident | 89 Ų | 89 | 57 Ų | 57 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | I | π-helix | trans | -81.9 | -38.9 | -174.2 | -176.4 | 0 | 0 | 0 | 0 | 114.7 | P83 T84 | P83-S87 WeakPolarHBondContact O-CB 3.46Å; P83-S87 PolarHBondContact O-N 3.35Å; T84-S87 PolarHBondContact O-N 3.35Å; T84-S87 VanDerWaalsContact O-N 3.12Å |
| 88 | T | 79.6 | Confident | 78.1 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | I | π-helix | trans | -103.5 | -23.8 | -169.2 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | T84 | T84-T88 HydrophobicContact CG2-CG2 4.11Å; T84-T88 PolarHBondContact O-N 2.79Å; T84-T88 PolarHBondContact O-OG1 2.76Å |
| 89 | H | 73.8 | Confident | 78.1 | Confident | 38 Ų | 38 | 65.1 Ų | 65.1 | 18% | 0.176 | 40% | 0.401 | C | S | . | . | I | π-helix | trans | -116.4 | -39 | -159.1 | -77.7 | -50.3 | 0 | 0 | 0 | 112.7 | L85 V110 | L85-H89 HydrophobicContact CD1-CB 3.81Å; L85-H89 VanDerWaalsContact O-CB 3.32Å; L85-H89 WeakPolarHBondContact O-CB 3.49Å; L85-H89 PolarHBondContact O-N 3.26Å; H89-V110 HydrophobicContact CB-CG1 3.39Å |
| 90 | V | 73.5 | Confident | 78.4 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 32% | 0.315 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -84.1 | -31.9 | -176.6 | 177.8 | 0 | 0 | 0 | 0 | 112.9 | L85 T92 I94 | L85-V90 PolarHBondContact O-N 3.45Å; V90-T92 PolarHBondContact O-N 3Å; V90-I94 HydrophobicContact CG1-CD1 4.5Å |
| 91 | S | 66.9 | Low | 78.8 | Confident | 81 Ų | 81 | 73.7 Ų | 73.7 | 57% | 0.566 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -22.3 | -167.8 | -55.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 92 | T | 62.5 | Low | 78.8 | Confident | 116 Ų | 116 | 77.2 Ų | 77.2 | 71% | 0.712 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -19.1 | -161 | 55 | 0 | 0 | 0 | 0 | 116 | V90 | V90-T92 PolarHBondContact O-N 3Š|
| 93 | S | 62.5 | Low | 78.7 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 40% | 0.399 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -14.5 | -167.3 | 55 | 0 | 0 | 0 | 0 | 116.1 | ||
| 94 | I | 69 | Low | 78.9 | Confident | 47 Ų | 47 | 82.2 Ų | 82.2 | 24% | 0.241 | 47% | 0.47 | C | S | . | . | S | Bend | trans | -97.8 | -9 | -167.1 | -48.9 | 168.6 | 0 | 0 | 0 | 112.1 | V90 G96 R103 F107 | V90-I94 HydrophobicContact CG1-CD1 4.5Å; I94-G96 PolarHBondContact O-N 3.49Å; I94-R103 HydrophobicContact CG2-CB 4.48Å; I94-R103 WeakPolarHBondContact O-CD 3.46Å; I94-F107 HydrophobicContact CD1-CB 4.2Å; I94-F107 HydrophobicContact CD1-CD2 3.54Å; I94-F107 HydrophobicContact CD1-CE2 4.37Å; I94-F107 HydrophobicContact CD1-CG 4.29Å |
| 95 | T | 69.4 | Low | 79 | Confident | 144 Ų | 144 | 85.1 Ų | 85.1 | 88% | 0.883 | 49% | 0.485 | S | S | * | . | trans | -94 | 98.6 | -178.8 | -54.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 96 | G | 71 | Confident | 79.1 | Confident | 44 Ų | 44 | 85.4 Ų | 85.4 | 45% | 0.454 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -173.4 | 156.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I94 E98 R103 | I94-G96 PolarHBondContact O-N 3.49Å; G96-E98 PolarHBondContact O-N 3.18Å; G96-R103 PolarHBondContact O-NH1 2.79Å |
| 97 | S | 68.6 | Low | 79.2 | Confident | 131 Ų | 131 | 84.4 Ų | 84.4 | 92% | 0.916 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -74.7 | 31.9 | 176.2 | -175.7 | 0 | 0 | 0 | 0 | 113 | ||
| 98 | E | 78.1 | Confident | 79.6 | Confident | 117 Ų | 117 | 83.6 Ų | 83.6 | 55% | 0.547 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -84.9 | 167.9 | 178.2 | -164.8 | 52.8 | -136 | 0 | 0 | 110.5 | G96 V102 R103 | G96-E98 PolarHBondContact O-N 3.18Å; E98-V102 HydrophobicContact CG-CB 3.76Å; E98-V102 HydrophobicContact CG-CG1 3.66Å; E98-V102 HydrophobicContact CG-CG2 4.25Å; E98-R103 PolarHBondContact O-NH1 2.98Å |
| 99 | D | 87.1 | Confident | 80.2 | Confident | 84 Ų | 84 | 84.1 Ų | 84.1 | 45% | 0.449 | 47% | 0.469 | S | S | . | . | trans | -55.2 | 141.4 | 169.9 | -175 | 9.4 | 0 | 0 | 0 | 111.3 | Y101 V102 R103 | D99-Y101 PolarHBondContact O-N 2.92Å; D99-Y101 WeakPolarHBondContact OD1-CD2 3.4Å; D99-Y101 PolarHBondContact OD1-N 3.01Å; D99-V102 HydrophobicContact CB-CG2 4.06Å; D99-V102 PolarHBondContact O-N 3.24Å; D99-R103 PolarHBondContact O-N 3.45Å; D99-R103 VanDerWaalsContact O-N 3.15Å | ||
| 100 | M | 88.8 | Confident | 81 | Confident | 112 Ų | 112 | 83.3 Ų | 83.3 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.9 | -36.7 | 179.8 | -175.6 | -175 | 74.7 | 0 | 0 | 111.6 | V102 R103 L104 | M100-V102 VanDerWaalsContact C-N 3.34Å; M100-V102 PolarHBondContact O-N 3.16Å; M100-R103 PolarHBondContact O-N 3.08Å; M100-L104 WeakPolarHBondContact O-CB 3.5Å; M100-L104 PolarHBondContact O-N 3.42Å |
| 101 | Y | 91.5 | Very high | 81.9 | Confident | 162 Ų | 162 | 81.7 Ų | 81.7 | 64% | 0.635 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -62.5 | -41.5 | 177.7 | -67.7 | -74.3 | 0 | 0 | 0 | 112 | D99 L104 N105 | D99-Y101 PolarHBondContact O-N 2.92Å; D99-Y101 WeakPolarHBondContact OD1-CD2 3.4Å; D99-Y101 PolarHBondContact OD1-N 3.01Å; Y101-L104 PolarHBondContact O-N 2.97Å; Y101-N105 PolarHBondContact O-N 3.05Å |
| 102 | V | 89.7 | Confident | 83.1 | Confident | 73 Ų | 73 | 81.4 Ų | 81.4 | 44% | 0.442 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.4 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | E98 D99 M100 N105 A106 | E98-V102 HydrophobicContact CG-CB 3.76Å; E98-V102 HydrophobicContact CG-CG1 3.66Å; E98-V102 HydrophobicContact CG-CG2 4.25Å; D99-V102 HydrophobicContact CB-CG2 4.06Å; D99-V102 PolarHBondContact O-N 3.24Å; M100-V102 VanDerWaalsContact C-N 3.34Å; M100-V102 PolarHBondContact O-N 3.16Å; V102-N105 PolarHBondContact O-N 3.08Å; V102-A106 WeakPolarHBondContact O-CB 3.44Å; V102-A106 PolarHBondContact O-N 2.81Å |
| 103 | R | 87.7 | Confident | 84.5 | Confident | 73 Ų | 73 | 81.1 Ų | 81.1 | 28% | 0.275 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.5 | -72.2 | -163.8 | -62.4 | -86.4 | -12.8 | 112.8 | I94 G96 E98 D99 M100 N105 A106 F107 | I94-R103 HydrophobicContact CG2-CB 4.48Å; I94-R103 WeakPolarHBondContact O-CD 3.46Å; G96-R103 PolarHBondContact O-NH1 2.79Å; E98-R103 PolarHBondContact O-NH1 2.98Å; D99-R103 PolarHBondContact O-N 3.45Å; D99-R103 VanDerWaalsContact O-N 3.15Å; M100-R103 PolarHBondContact O-N 3.08Å; R103-N105 VanDerWaalsContact C-N 3.35Å; R103-A106 PolarHBondContact O-N 2.79Å; R103-F107 WeakPolarHBondContact O-CB 3.48Å; R103-F107 PolarHBondContact O-N 2.97Å |
| 104 | L | 91.5 | Very high | 85.9 | Confident | 88 Ų | 88 | 78.6 Ų | 78.6 | 46% | 0.461 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 177 | -178.8 | 62.3 | 0 | 0 | 0 | 110.6 | M100 Y101 F107 M108 | M100-L104 WeakPolarHBondContact O-CB 3.5Å; M100-L104 PolarHBondContact O-N 3.42Å; Y101-L104 PolarHBondContact O-N 2.97Å; L104-F107 WeakPolarHBondContact O-CB 3.3Å; L104-F107 PolarHBondContact O-N 2.89Å; L104-M108 HydrophobicContact CD1-CE 3.91Å; L104-M108 WeakPolarHBondContact O-CG 3.31Å; L104-M108 PolarHBondContact O-N 3.2Å |
| 105 | N | 91.2 | Very high | 86.9 | Confident | 94 Ų | 94 | 76.5 Ų | 76.5 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 176.9 | -159.1 | 76.8 | 0 | 0 | 0 | 111.2 | Y101 V102 R103 F107 M108 D109 | Y101-N105 PolarHBondContact O-N 3.05Å; V102-N105 PolarHBondContact O-N 3.08Å; R103-N105 VanDerWaalsContact C-N 3.35Å; N105-F107 VanDerWaalsContact C-N 3.27Å; N105-F107 PolarHBondContact O-N 3.39Å; N105-M108 PolarHBondContact O-N 3.15Å; N105-M108 VanDerWaalsContact O-N 3.11Å; N105-D109 PolarHBondContact ND2-OD2 2.79Å; N105-D109 PolarHBondContact O-N 3.06Å |
| 106 | A | 89.3 | Confident | 87.9 | Confident | 28 Ų | 28 | 73.4 Ų | 73.4 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.7 | -37.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V102 R103 V110 | V102-A106 WeakPolarHBondContact O-CB 3.44Å; V102-A106 PolarHBondContact O-N 2.81Å; R103-A106 PolarHBondContact O-N 2.79Å; A106-V110 WeakPolarHBondContact O-CB 3.46Å; A106-V110 WeakPolarHBondContact O-CG2 3.36Å; A106-V110 PolarHBondContact O-N 3.33Å; A106-V110 VanDerWaalsContact O-N 3.14Å |
| 107 | F | 89.6 | Confident | 88.8 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 33% | 0.325 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 173.8 | 178 | -109 | 0 | 0 | 0 | 111.7 | I94 R103 L104 N105 V110 I111 | I94-F107 HydrophobicContact CD1-CB 4.2Å; I94-F107 HydrophobicContact CD1-CD2 3.54Å; I94-F107 HydrophobicContact CD1-CE2 4.37Å; I94-F107 HydrophobicContact CD1-CG 4.29Å; R103-F107 WeakPolarHBondContact O-CB 3.48Å; R103-F107 PolarHBondContact O-N 2.97Å; L104-F107 WeakPolarHBondContact O-CB 3.3Å; L104-F107 PolarHBondContact O-N 2.89Å; N105-F107 VanDerWaalsContact C-N 3.27Å; N105-F107 PolarHBondContact O-N 3.39Å; F107-V110 WeakPolarHBondContact O-CB 3.02Å; F107-V110 PolarHBondContact O-N 3.24Å; F107-I111 HydrophobicContact CD1-CG1 4.48Å; F107-I111 HydrophobicContact CD2-CG1 4.5Å; F107-I111 HydrophobicContact CE1-CG1 4.08Å; F107-I111 HydrophobicContact CE2-CD1 3.92Å; F107-I111 HydrophobicContact CE2-CG1 4.13Å; F107-I111 HydrophobicContact CZ-CD1 3.97Å; F107-I111 HydrophobicContact CZ-CG1 3.91Å; F107-I111 WeakPolarHBondContact O-CG1 3.25Å; F107-I111 PolarHBondContact O-N 2.72Å |
| 108 | M | 91.4 | Very high | 89.7 | Confident | 72 Ų | 72 | 70.9 Ų | 70.9 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 177.7 | -67.6 | -59.5 | -176.5 | 0 | 0 | 111.7 | L104 N105 V110 I111 E112 F124 | L104-M108 HydrophobicContact CD1-CE 3.91Å; L104-M108 WeakPolarHBondContact O-CG 3.31Å; L104-M108 PolarHBondContact O-N 3.2Å; N105-M108 PolarHBondContact O-N 3.15Å; N105-M108 VanDerWaalsContact O-N 3.11Å; M108-V110 PolarHBondContact O-N 3.38Å; M108-I111 PolarHBondContact O-N 2.94Å; M108-I111 VanDerWaalsContact O-N 3.15Å; M108-E112 WeakPolarHBondContact O-CB 3.45Å; M108-E112 PolarHBondContact O-N 2.83Å; M108-F124 HydrophobicContact SD-CE1 4.07Å; M108-F124 HydrophobicContact SD-CZ 3.85Å |
| 109 | D | 91.1 | Very high | 90.1 | Very high | 79 Ų | 79 | 65.9 Ų | 65.9 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.8 | -38.9 | 177 | -65 | -27.4 | 0 | 0 | 0 | 111.5 | N105 E112 L113 | N105-D109 PolarHBondContact ND2-OD2 2.79Å; N105-D109 PolarHBondContact O-N 3.06Å; D109-E112 PolarHBondContact O-N 3.39Å; D109-L113 WeakPolarHBondContact O-CB 3.12Å; D109-L113 PolarHBondContact O-N 2.79Å |
| 110 | V | 90.8 | Very high | 90.1 | Very high | 22 Ų | 22 | 66.5 Ų | 66.5 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.7 | -45.6 | 177.3 | 164.4 | 0 | 0 | 0 | 0 | 111.7 | H89 A106 F107 M108 E112 W114 | H89-V110 HydrophobicContact CB-CG1 3.39Å; A106-V110 WeakPolarHBondContact O-CB 3.46Å; A106-V110 WeakPolarHBondContact O-CG2 3.36Å; A106-V110 PolarHBondContact O-N 3.33Å; A106-V110 VanDerWaalsContact O-N 3.14Å; F107-V110 WeakPolarHBondContact O-CB 3.02Å; F107-V110 PolarHBondContact O-N 3.24Å; M108-V110 PolarHBondContact O-N 3.38Å; V110-E112 VanDerWaalsContact C-N 3.31Å; V110-W114 WeakPolarHBondContact O-CB 3.39Å; V110-W114 PolarHBondContact O-N 3.27Å |
| 111 | I | 92.1 | Very high | 89.9 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 9% | 0.087 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.6 | -57.7 | -50.4 | 0 | 0 | 0 | 110.3 | L85 F107 M108 W114 G115 F124 | L85-I111 HydrophobicContact CD1-CD1 3.76Å; L85-I111 HydrophobicContact CD2-CD1 4.11Å; L85-I111 HydrophobicContact CG-CD1 4.4Å; F107-I111 HydrophobicContact CD1-CG1 4.48Å; F107-I111 HydrophobicContact CD2-CG1 4.5Å; F107-I111 HydrophobicContact CE1-CG1 4.08Å; F107-I111 HydrophobicContact CE2-CD1 3.92Å; F107-I111 HydrophobicContact CE2-CG1 4.13Å; F107-I111 HydrophobicContact CZ-CD1 3.97Å; F107-I111 HydrophobicContact CZ-CG1 3.91Å; F107-I111 WeakPolarHBondContact O-CG1 3.25Å; F107-I111 PolarHBondContact O-N 2.72Å; M108-I111 PolarHBondContact O-N 2.94Å; M108-I111 VanDerWaalsContact O-N 3.15Å; I111-W114 HydrophobicContact CG2-CE3 4.41Å; I111-W114 PolarHBondContact O-N 3.17Å; I111-G115 PolarHBondContact O-N 3.23Å; I111-F124 HydrophobicContact CB-CE2 3.93Å; I111-F124 HydrophobicContact CB-CZ 4.34Å; I111-F124 HydrophobicContact CG2-CE2 3.72Å; I111-F124 HydrophobicContact CG2-CZ 4.27Å |
| 112 | E | 92.2 | Very high | 89.6 | Confident | 75 Ų | 75 | 59.7 Ų | 59.7 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 177.5 | -175.6 | 169.7 | -169.7 | 0 | 0 | 111.6 | M108 D109 V110 W114 G115 H116 F124 | M108-E112 WeakPolarHBondContact O-CB 3.45Å; M108-E112 PolarHBondContact O-N 2.83Å; D109-E112 PolarHBondContact O-N 3.39Å; V110-E112 VanDerWaalsContact C-N 3.31Å; E112-W114 PolarHBondContact O-N 3.08Å; E112-G115 CarbonylContact O-C 3.58Å; E112-G115 WeakPolarHBondContact O-CA 3.33Å; E112-G115 PolarHBondContact O-N 3.37Å; E112-G115 VanDerWaalsContact O-N 3.12Å; E112-H116 PolarHBondContact O-CD2 3.48Å; E112-H116 PolarHBondContact O-N 2.82Å; E112-H116 IonicContact OE1-NE2 3.44Å; E112-F124 HydrophobicContact CB-CD2 3.66Å; E112-F124 HydrophobicContact CB-CE2 3.94Å; E112-F124 HydrophobicContact CB-CG 4.41Å; E112-F124 HydrophobicContact CG-CB 4.36Å; E112-F124 HydrophobicContact CG-CD2 4.03Å; E112-F124 HydrophobicContact CG-CG 4.45Å |
| 113 | L | 91.2 | Very high | 89.7 | Confident | 111 Ų | 111 | 63.5 Ų | 63.5 | 58% | 0.581 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60.3 | -45.3 | 176.1 | -179.9 | 61.9 | 0 | 0 | 0 | 112 | D109 G115 H116 H117 | D109-L113 WeakPolarHBondContact O-CB 3.12Å; D109-L113 PolarHBondContact O-N 2.79Å; L113-G115 VanDerWaalsContact C-N 3.29Å; L113-G115 PolarHBondContact O-N 2.88Å; L113-H116 PolarHBondContact O-N 2.94Å; L113-H117 PolarHBondContact O-N 3.23Å |
| 114 | W | 91.8 | Very high | 90 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 174.5 | 170.4 | 79.9 | 0 | 0 | 0 | 111.6 | L76 S80 G81 L85 V110 I111 E112 H117 M118 L131 | L76-W114 HydrophobicContact CD1-CH2 3.72Å; L76-W114 HydrophobicContact CD1-CZ2 4.01Å; S80-W114 PolarHBondContact O-NE1 2.9Å; G81-W114 PolarHBondContact O-NE1 3.46Å; L85-W114 HydrophobicContact CB-CD2 4.29Å; L85-W114 HydrophobicContact CB-CG 4.33Å; L85-W114 HydrophobicContact CB-CZ2 4.44Å; L85-W114 HydrophobicContact CD1-CB 3.88Å; L85-W114 HydrophobicContact CD1-CD2 3.91Å; L85-W114 HydrophobicContact CD1-CE3 4.33Å; L85-W114 HydrophobicContact CD1-CG 3.68Å; L85-W114 HydrophobicContact CD2-CD2 4.01Å; L85-W114 HydrophobicContact CD2-CE3 4Å; L85-W114 HydrophobicContact CD2-CH2 4.15Å; L85-W114 HydrophobicContact CD2-CZ2 4.17Å; L85-W114 HydrophobicContact CD2-CZ3 4.06Å; L85-W114 HydrophobicContact CG-CD2 4.3Å; L85-W114 HydrophobicContact CG-CG 4.43Å; V110-W114 WeakPolarHBondContact O-CB 3.39Å; V110-W114 PolarHBondContact O-N 3.27Å; I111-W114 HydrophobicContact CG2-CE3 4.41Å; I111-W114 PolarHBondContact O-N 3.17Å; E112-W114 PolarHBondContact O-N 3.08Å; W114-H117 WeakPolarHBondContact O-CB 3.11Å; W114-H117 PolarHBondContact O-N 2.84Å; W114-M118 HydrophobicContact CD2-CG 4.47Å; W114-M118 HydrophobicContact CZ2-CE 3.92Å; W114-M118 HydrophobicContact CZ2-CG 4.29Å; W114-M118 WeakPolarHBondContact O-CG 3.47Å; W114-M118 PolarHBondContact O-N 3.29Å; W114-M118 VanDerWaalsContact O-N 3.1Å; W114-L131 HydrophobicContact CH2-CD1 4.34Å; W114-L131 HydrophobicContact CH2-CD2 3.98Å; W114-L131 HydrophobicContact CZ3-CD1 3.82Å; W114-L131 HydrophobicContact CZ3-CD2 4.29Å |
| 115 | G | 91.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.5 | -47.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | I111 E112 L113 H117 M118 F119 L127 | I111-G115 PolarHBondContact O-N 3.23Å; E112-G115 CarbonylContact O-C 3.58Å; E112-G115 WeakPolarHBondContact O-CA 3.33Å; E112-G115 PolarHBondContact O-N 3.37Å; E112-G115 VanDerWaalsContact O-N 3.12Å; L113-G115 VanDerWaalsContact C-N 3.29Å; L113-G115 PolarHBondContact O-N 2.88Å; G115-H117 PolarHBondContact O-N 3.25Å; G115-M118 WeakPolarHBondContact O-CB 2.82Å; G115-M118 PolarHBondContact O-N 2.88Å; G115-M118 VanDerWaalsContact O-N 3.16Å; G115-F119 PolarHBondContact O-N 3.02Å; G115-L127 VanDerWaalsContact CA-CD2 3.42Å |
| 116 | H | 90.4 | Very high | 90.3 | Very high | 79 Ų | 79 | 62.4 Ų | 62.4 | 37% | 0.366 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 176.1 | -78.7 | -63.7 | 0 | 0 | 0 | 112.9 | E112 L113 M118 P120 | E112-H116 PolarHBondContact O-CD2 3.48Å; E112-H116 PolarHBondContact O-N 2.82Å; E112-H116 IonicContact OE1-NE2 3.44Å; L113-H116 PolarHBondContact O-N 2.94Å; H116-M118 PolarHBondContact O-N 3.17Å; H116-P120 WeakPolarHBondContact O-CA 3.36Å; H116-P120 WeakPolarHBondContact O-CD 3.48Å; H116-P120 WeakPolarHBondContact O-CG 3.34Å |
| 117 | H | 88.5 | Confident | 90.4 | Very high | 117 Ų | 117 | 61.3 Ų | 61.3 | 54% | 0.542 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63 | -33.1 | 174.5 | -178.8 | -120.1 | 0 | 0 | 0 | 112 | S80 L113 W114 G115 | S80-H117 PolarHBondContact OG-CE1 2.97Å; S80-H117 PolarHBondContact OG-ND1 3.3Å; L113-H117 PolarHBondContact O-N 3.23Å; W114-H117 WeakPolarHBondContact O-CB 3.11Å; W114-H117 PolarHBondContact O-N 2.84Å; G115-H117 PolarHBondContact O-N 3.25Å |
| 118 | M | 88.2 | Confident | 90.6 | Very high | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.02 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -80.3 | -50 | 178.2 | -71.8 | -63.3 | -135 | 0 | 0 | 113 | R75 S80 W114 G115 H116 | R75-M118 HydrophobicContact CG-SD 4.43Å; S80-M118 WeakPolarHBondContact O-CE 3.37Å; W114-M118 HydrophobicContact CD2-CG 4.47Å; W114-M118 HydrophobicContact CZ2-CE 3.92Å; W114-M118 HydrophobicContact CZ2-CG 4.29Å; W114-M118 WeakPolarHBondContact O-CG 3.47Å; W114-M118 PolarHBondContact O-N 3.29Å; W114-M118 VanDerWaalsContact O-N 3.1Å; G115-M118 WeakPolarHBondContact O-CB 2.82Å; G115-M118 PolarHBondContact O-N 2.88Å; G115-M118 VanDerWaalsContact O-N 3.16Å; H116-M118 PolarHBondContact O-N 3.17Å |
| 119 | F | 87.3 | Confident | 90.8 | Very high | 13 Ų | 13 | 65.1 Ų | 65.1 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | trans | -139.5 | 85.4 | -173.6 | -62 | -69.7 | 0 | 0 | 0 | 110.6 | P69 K70 L71 R75 G115 C121 L122 L127 | P69-F119 HydrophobicContact CB-CE1 4.19Å; P69-F119 WeakPolarHBondContact O-CD1 3.39Å; P69-F119 WeakPolarHBondContact O-CE1 3.29Å; K70-F119 WeakPolarHBondContact O-CE1 3.48Å; K70-F119 VanDerWaalsContact O-CZ 3.23Å; K70-F119 WeakPolarHBondContact O-CZ 3.14Å; L71-F119 VanDerWaalsContact CA-CE2 3.45Å; L71-F119 HydrophobicContact CB-CD1 4.18Å; L71-F119 HydrophobicContact CB-CD2 3.55Å; L71-F119 HydrophobicContact CB-CE1 3.96Å; L71-F119 HydrophobicContact CB-CE2 3.27Å; L71-F119 HydrophobicContact CB-CG 4.02Å; L71-F119 HydrophobicContact CB-CZ 3.5Å; L71-F119 VanDerWaalsContact CB-CZ 3.5Å; L71-F119 HydrophobicContact CD1-CD2 3.95Å; L71-F119 HydrophobicContact CD1-CE2 3.21Å; L71-F119 HydrophobicContact CD1-CZ 3.91Å; L71-F119 HydrophobicContact CD2-CD2 3.9Å; L71-F119 HydrophobicContact CD2-CE2 4.02Å; L71-F119 HydrophobicContact CG-CD2 3.93Å; L71-F119 HydrophobicContact CG-CE2 3.57Å; L71-F119 HydrophobicContact CG-CZ 4.19Å; R75-F119 HydrophobicContact CB-CZ 4.24Å; R75-F119 HydrophobicContact CG-CE1 4.48Å; R75-F119 HydrophobicContact CG-CE2 4.27Å; R75-F119 HydrophobicContact CG-CZ 3.58Å; G115-F119 PolarHBondContact O-N 3.02Å; F119-C121 PolarHBondContact O-N 3.45Å; F119-L122 HydrophobicContact CB-CB 3.95Å; F119-L122 HydrophobicContact CB-CD2 4.38Å; F119-L122 PolarHBondContact O-N 3.48Å; F119-L122 VanDerWaalsContact O-N 3.12Å; F119-L127 HydrophobicContact CD2-CD1 4.4Å | ||
| 120 | P | 85.3 | Confident | 90.8 | Very high | 97 Ų | 97 | 66.9 Ų | 66.9 | 63% | 0.63 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.4 | -174.4 | -25.5 | 32.3 | 0 | 0 | 0 | 114.7 | H116 | H116-P120 WeakPolarHBondContact O-CA 3.36Å; H116-P120 WeakPolarHBondContact O-CD 3.48Å; H116-P120 WeakPolarHBondContact O-CG 3.34Å |
| 121 | C | 84.7 | Confident | 91 | Very high | 103 Ų | 103 | 67.4 Ų | 67.4 | 70% | 0.696 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -1.4 | -175.1 | -54.5 | 0 | 0 | 0 | 0 | 114.2 | F119 | F119-C121 PolarHBondContact O-N 3.45Š|
| 122 | L | 87 | Confident | 91.1 | Very high | 28 Ų | 28 | 72.4 Ų | 72.4 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -98.9 | 136.8 | -174.9 | -160.1 | 64.3 | 0 | 0 | 0 | 109.9 | F119 D126 L127 | F119-L122 HydrophobicContact CB-CB 3.95Å; F119-L122 HydrophobicContact CB-CD2 4.38Å; F119-L122 PolarHBondContact O-N 3.48Å; F119-L122 VanDerWaalsContact O-N 3.12Å; L122-D126 HydrophobicContact CD1-CB 3.42Å; L122-D126 VanDerWaalsContact CD1-CB 3.42Å; L122-D126 HydrophobicContact CD2-CB 4.47Å; L122-D126 HydrophobicContact CG-CB 3.71Å; L122-L127 VanDerWaalsContact CD2-CA 3.41Å; L122-L127 HydrophobicContact CD2-CB 3.85Å; L122-L127 HydrophobicContact CD2-CD1 4Å; L122-L127 HydrophobicContact CG-CB 4.34Å |
| 123 | K | 92 | Very high | 91.2 | Very high | 152 Ų | 152 | 72.1 Ų | 72.1 | 66% | 0.661 | 36% | 0.36 | S | S | * | . | trans | -72.3 | 158.8 | 169.9 | -64.1 | 179.4 | 180 | 173.8 | 0 | 110 | D125 D126 L127 | K123-D125 PolarHBondContact O-N 3.12Å; K123-D126 HydrophobicContact CB-CB 4.49Å; K123-D126 PolarHBondContact O-N 3.29Å; K123-L127 WeakPolarHBondContact O-CB 3.46Å; K123-L127 PolarHBondContact O-N 2.94Å | ||
| 124 | F | 93.3 | Very high | 91.3 | Very high | 35 Ų | 35 | 67.2 Ų | 67.2 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 179 | -174.8 | -111.7 | 0 | 0 | 0 | 112.9 | M108 I111 E112 D126 L127 L128 | M108-F124 HydrophobicContact SD-CE1 4.07Å; M108-F124 HydrophobicContact SD-CZ 3.85Å; I111-F124 HydrophobicContact CB-CE2 3.93Å; I111-F124 HydrophobicContact CB-CZ 4.34Å; I111-F124 HydrophobicContact CG2-CE2 3.72Å; I111-F124 HydrophobicContact CG2-CZ 4.27Å; E112-F124 HydrophobicContact CB-CD2 3.66Å; E112-F124 HydrophobicContact CB-CE2 3.94Å; E112-F124 HydrophobicContact CB-CG 4.41Å; E112-F124 HydrophobicContact CG-CB 4.36Å; E112-F124 HydrophobicContact CG-CD2 4.03Å; E112-F124 HydrophobicContact CG-CG 4.45Å; F124-D126 VanDerWaalsContact C-N 3.33Å; F124-D126 PolarHBondContact O-N 3.21Å; F124-L127 HydrophobicContact CD2-CD2 4.34Å; F124-L127 VanDerWaalsContact O-CB 3.31Å; F124-L127 WeakPolarHBondContact O-CB 3.33Å; F124-L127 PolarHBondContact O-N 3.44Å; F124-L127 VanDerWaalsContact O-N 3.15Å; F124-L128 HydrophobicContact CD1-CD1 4.01Å; F124-L128 HydrophobicContact CD1-CG 4.49Å; F124-L128 HydrophobicContact CE1-CD1 3.51Å; F124-L128 HydrophobicContact CE1-CG 4.16Å; F124-L128 HydrophobicContact CE2-CD2 4.45Å; F124-L128 HydrophobicContact CE2-CG 4.45Å; F124-L128 HydrophobicContact CZ-CD1 3.85Å; F124-L128 HydrophobicContact CZ-CD2 4.19Å; F124-L128 HydrophobicContact CZ-CG 4.14Å; F124-L128 PolarHBondContact O-N 2.96Å |
| 125 | D | 94.5 | Very high | 91.3 | Very high | 120 Ų | 120 | 68.3 Ų | 68.3 | 64% | 0.642 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 177.6 | -58.4 | -46.4 | 0 | 0 | 0 | 112.2 | K123 L127 L128 Y129 | K123-D125 PolarHBondContact O-N 3.12Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.21Å; D125-L128 PolarHBondContact O-N 3.3Å; D125-Y129 PolarHBondContact O-N 3.45Å |
| 126 | D | 93.5 | Very high | 91.4 | Very high | 78 Ų | 78 | 74.1 Ų | 74.1 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.8 | -32.5 | 178.3 | -66.4 | -38.8 | 0 | 0 | 0 | 111.9 | L122 K123 F124 R130 | L122-D126 HydrophobicContact CD1-CB 3.42Å; L122-D126 VanDerWaalsContact CD1-CB 3.42Å; L122-D126 HydrophobicContact CD2-CB 4.47Å; L122-D126 HydrophobicContact CG-CB 3.71Å; K123-D126 HydrophobicContact CB-CB 4.49Å; K123-D126 PolarHBondContact O-N 3.29Å; F124-D126 VanDerWaalsContact C-N 3.33Å; F124-D126 PolarHBondContact O-N 3.21Å; D126-R130 WeakPolarHBondContact O-CB 3.02Å; D126-R130 WeakPolarHBondContact O-CG 3.29Å; D126-R130 PolarHBondContact O-N 3.19Å; D126-R130 VanDerWaalsContact O-N 3.07Å |
| 127 | L | 92.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 74.1 Ų | 74.1 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.8 | -50.7 | 173 | 179.3 | 84 | 0 | 0 | 0 | 110.3 | L71 G115 F119 L122 K123 F124 D125 Y129 R130 L131 | L71-L127 HydrophobicContact CD2-CD1 3.84Å; G115-L127 VanDerWaalsContact CA-CD2 3.42Å; F119-L127 HydrophobicContact CD2-CD1 4.4Å; L122-L127 VanDerWaalsContact CD2-CA 3.41Å; L122-L127 HydrophobicContact CD2-CB 3.85Å; L122-L127 HydrophobicContact CD2-CD1 4Å; L122-L127 HydrophobicContact CG-CB 4.34Å; K123-L127 WeakPolarHBondContact O-CB 3.46Å; K123-L127 PolarHBondContact O-N 2.94Å; F124-L127 HydrophobicContact CD2-CD2 4.34Å; F124-L127 VanDerWaalsContact O-CB 3.31Å; F124-L127 WeakPolarHBondContact O-CB 3.33Å; F124-L127 PolarHBondContact O-N 3.44Å; F124-L127 VanDerWaalsContact O-N 3.15Å; D125-L127 VanDerWaalsContact C-N 3.32Å; D125-L127 PolarHBondContact O-N 3.21Å; L127-Y129 PolarHBondContact O-N 3.12Å; L127-R130 PolarHBondContact O-N 3.21Å; L127-L131 HydrophobicContact CD2-CD1 4.31Å; L127-L131 HydrophobicContact CG-CD1 3.94Å; L127-L131 HydrophobicContact CG-CG 4.48Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 2.94Å |
| 128 | L | 94 | Very high | 91.8 | Very high | 74 Ų | 74 | 77.4 Ų | 77.4 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 179.2 | -68.9 | -179.5 | 0 | 0 | 0 | 111.5 | F124 D125 R130 L131 E132 | F124-L128 HydrophobicContact CD1-CD1 4.01Å; F124-L128 HydrophobicContact CD1-CG 4.49Å; F124-L128 HydrophobicContact CE1-CD1 3.51Å; F124-L128 HydrophobicContact CE1-CG 4.16Å; F124-L128 HydrophobicContact CE2-CD2 4.45Å; F124-L128 HydrophobicContact CE2-CG 4.45Å; F124-L128 HydrophobicContact CZ-CD1 3.85Å; F124-L128 HydrophobicContact CZ-CD2 4.19Å; F124-L128 HydrophobicContact CZ-CG 4.14Å; F124-L128 PolarHBondContact O-N 2.96Å; D125-L128 PolarHBondContact O-N 3.3Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 2.94Å; L128-L131 PolarHBondContact O-N 3.16Å; L128-L131 VanDerWaalsContact O-N 3.16Å; L128-E132 PolarHBondContact O-N 3.29Å |
| 129 | Y | 94.3 | Very high | 92 | Very high | 153 Ų | 153 | 79.7 Ų | 79.7 | 60% | 0.6 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -57.6 | -43.6 | 176.1 | 179 | -102.7 | 0 | 0 | 0 | 112.2 | D125 L127 E132 V133 | D125-Y129 PolarHBondContact O-N 3.45Å; L127-Y129 PolarHBondContact O-N 3.12Å; Y129-E132 PolarHBondContact O-N 2.67Å; Y129-V133 HydrophobicContact CE1-CG2 4.18Å; Y129-V133 WeakPolarHBondContact O-CG2 3.23Å; Y129-V133 PolarHBondContact O-N 3.12Å; Y129-V133 VanDerWaalsContact O-N 3.13Å |
| 130 | R | 92.5 | Very high | 92.2 | Very high | 115 Ų | 115 | 79.2 Ų | 79.2 | 43% | 0.434 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67.8 | -37.6 | 177 | -74.8 | -171.7 | -171 | -122.6 | 1.1 | 112.9 | L71 D126 L127 L128 E132 V133 L134 | L71-R130 HydrophobicContact CD2-CB 3.81Å; L71-R130 HydrophobicContact CG-CB 4.46Å; D126-R130 WeakPolarHBondContact O-CB 3.02Å; D126-R130 WeakPolarHBondContact O-CG 3.29Å; D126-R130 PolarHBondContact O-N 3.19Å; D126-R130 VanDerWaalsContact O-N 3.07Å; L127-R130 PolarHBondContact O-N 3.21Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 2.94Å; R130-E132 VanDerWaalsContact C-N 3.33Å; R130-V133 PolarHBondContact O-N 3.28Å; R130-L134 WeakPolarHBondContact O-CB 3.17Å; R130-L134 WeakPolarHBondContact O-CG 3.36Å; R130-L134 PolarHBondContact O-N 2.86Å |
| 131 | L | 93.4 | Very high | 92.6 | Very high | 34 Ų | 34 | 79.3 Ų | 79.3 | 18% | 0.178 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 176 | -73.4 | 168.5 | 0 | 0 | 0 | 111.2 | L71 L76 W114 L127 L128 L134 G135 | L71-L131 HydrophobicContact CD2-CD2 4.27Å; L71-L131 HydrophobicContact CD2-CG 4.32Å; L76-L131 HydrophobicContact CD1-CD2 3.56Å; L76-L131 HydrophobicContact CD2-CD2 4.04Å; L76-L131 HydrophobicContact CG-CD2 4.46Å; W114-L131 HydrophobicContact CH2-CD1 4.34Å; W114-L131 HydrophobicContact CH2-CD2 3.98Å; W114-L131 HydrophobicContact CZ3-CD1 3.82Å; W114-L131 HydrophobicContact CZ3-CD2 4.29Å; L127-L131 HydrophobicContact CD2-CD1 4.31Å; L127-L131 HydrophobicContact CG-CD1 3.94Å; L127-L131 HydrophobicContact CG-CG 4.48Å; L127-L131 VanDerWaalsContact O-CG 3.31Å; L127-L131 WeakPolarHBondContact O-CG 3.45Å; L127-L131 PolarHBondContact O-N 2.94Å; L128-L131 PolarHBondContact O-N 3.16Å; L128-L131 VanDerWaalsContact O-N 3.16Å; L131-L134 PolarHBondContact O-N 3.04Å; L131-G135 PolarHBondContact O-N 3.34Å |
| 132 | E | 94.3 | Very high | 93 | Very high | 121 Ų | 121 | 82 Ų | 82 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.6 | -50.8 | 173.3 | -175.5 | -178.7 | -177.2 | 0 | 0 | 110.8 | L128 Y129 R130 L134 G135 H136 | L128-E132 PolarHBondContact O-N 3.29Å; Y129-E132 PolarHBondContact O-N 2.67Å; R130-E132 VanDerWaalsContact C-N 3.33Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 2.94Å; E132-G135 PolarHBondContact O-N 2.88Å; E132-H136 PolarHBondContact O-N 3.25Å; E132-H136 PolarHBondContact O-ND1 3.15Å |
| 133 | V | 93.9 | Very high | 93.2 | Very high | 70 Ų | 70 | 81.7 Ų | 81.7 | 42% | 0.424 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 178 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | Y129 R130 | Y129-V133 HydrophobicContact CE1-CG2 4.18Å; Y129-V133 WeakPolarHBondContact O-CG2 3.23Å; Y129-V133 PolarHBondContact O-N 3.12Å; Y129-V133 VanDerWaalsContact O-N 3.13Å; R130-V133 PolarHBondContact O-N 3.28Å |
| 134 | L | 93.4 | Very high | 93.2 | Very high | 8 Ų | 8 | 78.1 Ų | 78.1 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70.9 | -33.6 | 177.5 | -72.7 | -179.4 | 0 | 0 | 0 | 113.1 | L71 E73 L76 R130 L131 E132 H136 K137 V140 | L71-L134 HydrophobicContact CB-CD1 4.5Å; L71-L134 HydrophobicContact CD1-CD1 3.63Å; L71-L134 HydrophobicContact CD2-CD1 4.4Å; L71-L134 HydrophobicContact CG-CD1 3.52Å; E73-L134 HydrophobicContact CG-CD2 3.9Å; L76-L134 HydrophobicContact CB-CD1 4.48Å; L76-L134 HydrophobicContact CD2-CB 4.04Å; L76-L134 HydrophobicContact CD2-CD1 4.05Å; R130-L134 WeakPolarHBondContact O-CB 3.17Å; R130-L134 WeakPolarHBondContact O-CG 3.36Å; R130-L134 PolarHBondContact O-N 2.86Å; L131-L134 PolarHBondContact O-N 3.04Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 2.94Å; L134-H136 PolarHBondContact O-N 3.08Å; L134-K137 HydrophobicContact CD2-CD 3.95Å; L134-K137 VanDerWaalsContact O-CB 3.32Å; L134-K137 WeakPolarHBondContact O-CB 3.43Å; L134-K137 PolarHBondContact O-N 3.37Å; L134-K137 VanDerWaalsContact O-N 3.07Å; L134-V140 WeakPolarHBondContact O-CB 3.49Å; L134-V140 WeakPolarHBondContact O-CG2 3.45Å |
| 135 | G | 92.4 | Very high | 93.1 | Very high | 26 Ų | 26 | 81.7 Ų | 81.7 | 27% | 0.268 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -26 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L131 E132 K137 K141 | L131-G135 PolarHBondContact O-N 3.34Å; E132-G135 PolarHBondContact O-N 2.88Å; G135-K137 PolarHBondContact O-N 3.19Å; G135-K141 WeakPolarHBondContact O-CE 3.38Å; G135-K141 WeakPolarHBondContact O-CG 3.47Å |
| 136 | H | 93.4 | Very high | 92.9 | Very high | 125 Ų | 125 | 79.3 Ų | 79.3 | 58% | 0.579 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -17.6 | 174.6 | -73.3 | 85.3 | 0 | 0 | 0 | 113.5 | E132 L134 K141 | E132-H136 PolarHBondContact O-N 3.25Å; E132-H136 PolarHBondContact O-ND1 3.15Å; L134-H136 PolarHBondContact O-N 3.08Å; H136-K141 WeakPolarHBondContact O-CE 3.33Å |
| 137 | K | 94.8 | Very high | 92.5 | Very high | 79 Ų | 79 | 77.7 Ų | 77.7 | 34% | 0.343 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -77.5 | 138.3 | -175.6 | -62.7 | -174.2 | 167.9 | -176.5 | 0 | 112.1 | E73 L134 G135 A139 V140 K141 | E73-K137 HydrophobicContact CG-CB 4.39Å; E73-K137 HydrophobicContact CG-CD 3.46Å; E73-K137 VanDerWaalsContact CG-CD 3.46Å; E73-K137 WeakPolarHBondContact OE1-CD 3.42Å; E73-K137 WeakPolarHBondContact OE1-CE 3.47Å; E73-K137 IonicContact OE1-NZ 3.6Å; E73-K137 PolarHBondContact OE1-NZ 3.29Å; L134-K137 HydrophobicContact CD2-CD 3.95Å; L134-K137 VanDerWaalsContact O-CB 3.32Å; L134-K137 WeakPolarHBondContact O-CB 3.43Å; L134-K137 PolarHBondContact O-N 3.37Å; L134-K137 VanDerWaalsContact O-N 3.07Å; G135-K137 PolarHBondContact O-N 3.19Å; K137-A139 VanDerWaalsContact C-N 3.28Å; K137-A139 PolarHBondContact O-N 3.46Å; K137-V140 PolarHBondContact O-N 2.94Å; K137-V140 VanDerWaalsContact O-N 3.12Å; K137-K141 PolarHBondContact O-N 3.1Å |
| 138 | K | 93.2 | Very high | 92.3 | Very high | 187 Ų | 187 | 88.6 Ų | 88.6 | 81% | 0.813 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -56.2 | -37.6 | -176.6 | -67.6 | -175.5 | 178.1 | -179.3 | 0 | 113.5 | K141 R142 | K138-K141 PolarHBondContact O-N 3.28Å; K138-R142 WeakPolarHBondContact O-CB 3.37Å; K138-R142 PolarHBondContact O-N 3.27Å |
| 139 | A | 91.3 | Very high | 92 | Very high | 52 Ų | 52 | 91 Ų | 91 | 43% | 0.43 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E73 K137 Y143 | E73-A139 WeakPolarHBondContact OE2-CB 3.47Å; K137-A139 VanDerWaalsContact C-N 3.28Å; K137-A139 PolarHBondContact O-N 3.46Å; A139-Y143 VanDerWaalsContact O-CB 3.29Å; A139-Y143 WeakPolarHBondContact O-CB 3.45Å; A139-Y143 PolarHBondContact O-N 3.28Å; A139-Y143 VanDerWaalsContact O-N 3.12Å |
| 140 | V | 92.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 86.1 Ų | 86.1 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -73.1 | -41.3 | 177.4 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | E73 L76 T77 L134 K137 Y143 L144 | E73-V140 HydrophobicContact CB-CG2 4.15Å; E73-V140 HydrophobicContact CG-CG2 4.07Å; L76-V140 HydrophobicContact CD2-CG1 4.06Å; L76-V140 HydrophobicContact CD2-CG2 4.28Å; T77-V140 HydrophobicContact CG2-CG2 4.38Å; L134-V140 WeakPolarHBondContact O-CB 3.49Å; L134-V140 WeakPolarHBondContact O-CG2 3.45Å; K137-V140 PolarHBondContact O-N 2.94Å; K137-V140 VanDerWaalsContact O-N 3.12Å; V140-Y143 WeakPolarHBondContact O-CB 3.32Å; V140-Y143 PolarHBondContact O-N 2.97Å; V140-L144 HydrophobicContact CG1-CD1 4.15Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 WeakPolarHBondContact O-CG 3.39Å; V140-L144 PolarHBondContact O-N 3.1Å |
| 141 | K | 93.7 | Very high | 90.4 | Very high | 100 Ų | 100 | 86.1 Ų | 86.1 | 44% | 0.435 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.3 | -51.7 | 174.5 | -70.2 | -174.9 | 175.3 | -177.2 | 0 | 112.3 | G135 H136 K137 K138 Y143 L144 E145 | G135-K141 WeakPolarHBondContact O-CE 3.38Å; G135-K141 WeakPolarHBondContact O-CG 3.47Å; H136-K141 WeakPolarHBondContact O-CE 3.33Å; K137-K141 PolarHBondContact O-N 3.1Å; K138-K141 PolarHBondContact O-N 3.28Å; K141-Y143 PolarHBondContact O-N 2.89Å; K141-L144 PolarHBondContact O-N 3.02Å; K141-L144 VanDerWaalsContact O-N 3.1Å; K141-E145 WeakPolarHBondContact O-CG 3.34Å; K141-E145 PolarHBondContact O-N 3.39Å |
| 142 | R | 92.3 | Very high | 89 | Confident | 159 Ų | 159 | 87.4 Ų | 87.4 | 60% | 0.6 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59 | -38 | 177 | -172.9 | 175.3 | -172.9 | 175 | 5.5 | 112.1 | K138 E145 H146 | K138-R142 WeakPolarHBondContact O-CB 3.37Å; K138-R142 PolarHBondContact O-N 3.27Å; R142-E145 PolarHBondContact O-N 2.9Å; R142-H146 VanDerWaalsContact O-CG 3.23Å; R142-H146 PolarHBondContact O-N 3.12Å |
| 143 | Y | 91.5 | Very high | 87.1 | Confident | 21 Ų | 21 | 87.5 Ų | 87.5 | 8% | 0.082 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 176 | 179.7 | -93.2 | 0 | 0 | 0 | 112.6 | T77 L82 P83 A139 V140 K141 H146 M147 F152 | T77-Y143 HydrophobicContact CG2-CD1 3.7Å; T77-Y143 HydrophobicContact CG2-CD2 3.87Å; T77-Y143 HydrophobicContact CG2-CE1 4.15Å; T77-Y143 HydrophobicContact CG2-CE2 4.29Å; T77-Y143 HydrophobicContact CG2-CG 3.52Å; T77-Y143 WeakPolarHBondContact O-CE2 3.34Å; T77-Y143 PolarHBondContact O-OH 2.88Å; L82-Y143 HydrophobicContact CB-CE1 4.11Å; L82-Y143 HydrophobicContact CD1-CD1 4Å; L82-Y143 HydrophobicContact CD1-CE1 3.88Å; P83-Y143 WeakPolarHBondContact CD-OH 3.1Å; P83-Y143 WeakPolarHBondContact CG-OH 3.49Å; A139-Y143 VanDerWaalsContact O-CB 3.29Å; A139-Y143 WeakPolarHBondContact O-CB 3.45Å; A139-Y143 PolarHBondContact O-N 3.28Å; A139-Y143 VanDerWaalsContact O-N 3.12Å; V140-Y143 WeakPolarHBondContact O-CB 3.32Å; V140-Y143 PolarHBondContact O-N 2.97Å; K141-Y143 PolarHBondContact O-N 2.89Å; Y143-H146 PolarHBondContact O-N 2.85Å; Y143-M147 HydrophobicContact CD1-CE 4.18Å; Y143-M147 HydrophobicContact CE1-CE 3.36Å; Y143-M147 WeakPolarHBondContact O-CB 3.45Å; Y143-M147 PolarHBondContact O-N 3.28Å; Y143-F152 HydrophobicContact CD2-CE2 4.19Å; Y143-F152 HydrophobicContact CE2-CD2 4.23Å; Y143-F152 AromaticContact CE2-CE2 3.33Å; Y143-F152 HydrophobicContact CE2-CE2 3.33Å; Y143-F152 AromaticContact CE2-CZ 3.75Å; Y143-F152 HydrophobicContact CE2-CZ 3.75Å; Y143-F152 AromaticContact CZ-CE2 3.8Å; Y143-F152 AromaticContact CZ-CZ 3.87Å; Y143-F152 WeakPolarHBondContact OH-CZ 3.21Å |
| 144 | L | 91.9 | Very high | 85.1 | Confident | 77 Ų | 77 | 92.8 Ų | 92.8 | 40% | 0.403 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 175 | -71.1 | 171.3 | 0 | 0 | 0 | 112 | L82 V140 K141 M147 R148 | L82-L144 HydrophobicContact CD1-CD2 3.84Å; L82-L144 HydrophobicContact CD1-CG 4.5Å; V140-L144 HydrophobicContact CG1-CD1 4.15Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 WeakPolarHBondContact O-CG 3.39Å; V140-L144 PolarHBondContact O-N 3.1Å; K141-L144 PolarHBondContact O-N 3.02Å; K141-L144 VanDerWaalsContact O-N 3.1Å; L144-M147 WeakPolarHBondContact O-CB 2.96Å; L144-M147 PolarHBondContact O-N 2.97Å; L144-R148 WeakPolarHBondContact O-CB 3.49Å; L144-R148 PolarHBondContact O-N 3.42Å |
| 145 | E | 91.5 | Very high | 82.8 | Confident | 111 Ų | 111 | 96.9 Ų | 96.9 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.1 | -51.8 | 172.8 | -73 | 165.5 | -177.7 | 0 | 0 | 110.9 | K141 R142 M147 R148 E149 | K141-E145 WeakPolarHBondContact O-CG 3.34Å; K141-E145 PolarHBondContact O-N 3.39Å; R142-E145 PolarHBondContact O-N 2.9Å; E145-M147 VanDerWaalsContact C-N 3.25Å; E145-M147 PolarHBondContact O-N 3.07Å; E145-R148 PolarHBondContact O-N 2.85Å; E145-R148 VanDerWaalsContact O-N 3.1Å; E145-E149 WeakPolarHBondContact O-CG 3.37Å; E145-E149 PolarHBondContact O-N 3.33Å |
| 146 | H | 89.2 | Confident | 80.7 | Confident | 70 Ų | 70 | 97.3 Ų | 97.3 | 32% | 0.324 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.4 | -34 | 176.1 | -65 | 169.8 | 0 | 0 | 0 | 113 | R142 Y143 G150 I151 | R142-H146 VanDerWaalsContact O-CG 3.23Å; R142-H146 PolarHBondContact O-N 3.12Å; Y143-H146 PolarHBondContact O-N 2.85Å; H146-G150 PolarHBondContact O-N 3.18Å; H146-I151 PolarHBondContact O-N 2.99Å |
| 147 | M | 86.8 | Confident | 78.4 | Confident | 43 Ų | 43 | 96.3 Ų | 96.3 | 21% | 0.212 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 175.5 | -174.8 | -178 | -65.9 | 0 | 0 | 111.2 | L82 P83 L86 Y143 L144 E145 G150 | L82-M147 HydrophobicContact CB-CE 3.88Å; P83-M147 HydrophobicContact CG-CE 4.5Å; L86-M147 HydrophobicContact CD2-CG 4.38Å; L86-M147 HydrophobicContact CD2-SD 3.92Å; Y143-M147 HydrophobicContact CD1-CE 4.18Å; Y143-M147 HydrophobicContact CE1-CE 3.36Å; Y143-M147 WeakPolarHBondContact O-CB 3.45Å; Y143-M147 PolarHBondContact O-N 3.28Å; L144-M147 WeakPolarHBondContact O-CB 2.96Å; L144-M147 PolarHBondContact O-N 2.97Å; E145-M147 VanDerWaalsContact C-N 3.25Å; E145-M147 PolarHBondContact O-N 3.07Å; M147-G150 PolarHBondContact O-N 3.46Å |
| 148 | R | 88.2 | Confident | 75.8 | Confident | 234 Ų | 234 | 96.3 Ų | 96.3 | 88% | 0.883 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67 | -37 | 177.4 | -175.6 | -179.6 | 179.2 | -174.2 | 0.6 | 112.4 | L144 E145 G150 | L144-R148 WeakPolarHBondContact O-CB 3.49Å; L144-R148 PolarHBondContact O-N 3.42Å; E145-R148 PolarHBondContact O-N 2.85Å; E145-R148 VanDerWaalsContact O-N 3.1Å; R148-G150 PolarHBondContact O-N 3.21Å |
| 149 | E | 88.3 | Confident | 73.5 | Confident | 124 Ų | 124 | 90.4 Ų | 90.4 | 58% | 0.579 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -7.8 | 177.2 | -69.4 | 170.7 | -179.7 | 0 | 0 | 113.2 | E145 I151 | E145-E149 WeakPolarHBondContact O-CG 3.37Å; E145-E149 PolarHBondContact O-N 3.33Å; E149-I151 HydrophobicContact CB-CD1 3.95Å; E149-I151 HydrophobicContact CB-CG1 3.87Å; E149-I151 PolarHBondContact O-N 3.22Å; E149-I151 WeakPolarHBondContact OE2-CD1 3.5Å |
| 150 | G | 81.6 | Confident | 71.5 | Confident | 51 Ų | 51 | 92.9 Ų | 92.9 | 53% | 0.526 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 9.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | H146 M147 R148 F152 | H146-G150 PolarHBondContact O-N 3.18Å; M147-G150 PolarHBondContact O-N 3.46Å; R148-G150 PolarHBondContact O-N 3.21Å; G150-F152 PolarHBondContact O-N 2.94Å |
| 151 | I | 71.6 | Confident | 69 | Low | 114 Ų | 114 | 101.7 Ų | 101.7 | 59% | 0.585 | 51% | 0.506 | S | S | * | . | trans | -69.5 | -11.2 | 176.3 | -58.3 | 177 | 0 | 0 | 0 | 110.8 | H146 E149 D153 | H146-I151 PolarHBondContact O-N 2.99Å; E149-I151 HydrophobicContact CB-CD1 3.95Å; E149-I151 HydrophobicContact CB-CG1 3.87Å; E149-I151 PolarHBondContact O-N 3.22Å; E149-I151 WeakPolarHBondContact OE2-CD1 3.5Å; I151-D153 PolarHBondContact O-N 3.37Å | ||
| 152 | F | 62 | Low | 66.2 | Low | 61 Ų | 61 | 101.8 Ų | 101.8 | 27% | 0.268 | 52% | 0.515 | S | S | . | . | trans | -78.1 | 53.2 | 179.3 | -148.5 | -94 | 0 | 0 | 0 | 113.6 | P83 Y143 G150 | P83-F152 HydrophobicContact CB-CE1 4.29Å; P83-F152 HydrophobicContact CG-CE1 3.85Å; P83-F152 HydrophobicContact CG-CZ 4.07Å; Y143-F152 HydrophobicContact CD2-CE2 4.19Å; Y143-F152 HydrophobicContact CE2-CD2 4.23Å; Y143-F152 AromaticContact CE2-CE2 3.33Å; Y143-F152 HydrophobicContact CE2-CE2 3.33Å; Y143-F152 AromaticContact CE2-CZ 3.75Å; Y143-F152 HydrophobicContact CE2-CZ 3.75Å; Y143-F152 AromaticContact CZ-CE2 3.8Å; Y143-F152 AromaticContact CZ-CZ 3.87Å; Y143-F152 WeakPolarHBondContact OH-CZ 3.21Å; G150-F152 PolarHBondContact O-N 2.94Å | ||
| 153 | D | 54.7 | Low | 63.7 | Low | 124 Ų | 124 | 103.2 Ų | 103.2 | 66% | 0.663 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -93.9 | 99.7 | 161.7 | -93.4 | -34.1 | 0 | 0 | 0 | 109 | I151 C155 | I151-D153 PolarHBondContact O-N 3.37Å; D153-C155 VanDerWaalsContact C-N 3.28Å; D153-C155 PolarHBondContact O-N 2.9Å |
| 154 | K | 52.9 | Low | 60.9 | Low | 181 Ų | 181 | 107.6 Ų | 107.6 | 79% | 0.787 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 70.8 | -12.9 | 155.5 | -54.7 | 174.3 | -175.3 | 180 | 0 | 118.6 | ||
| 155 | C | 44.5 | Very low | 58.3 | Low | 94 Ų | 94 | 111.5 Ų | 111.5 | 64% | 0.635 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -82.2 | -23 | -170.5 | -144.2 | 0 | 0 | 0 | 0 | 115.7 | D153 M157 S158 | D153-C155 VanDerWaalsContact C-N 3.28Å; D153-C155 PolarHBondContact O-N 2.9Å; C155-M157 PolarHBondContact O-N 3.32Å; C155-M157 VanDerWaalsContact O-N 3.17Å; C155-S158 PolarHBondContact O-N 3.46Å; C155-S158 PolarHBondContact O-OG 3.16Å |
| 156 | S | 49.5 | Very low | 56.3 | Low | 35 Ų | 35 | 111.9 Ų | 111.9 | 25% | 0.245 | 59% | 0.586 | C | S | . | * | G | 310 helix | trans | -70.3 | -11.4 | -179.3 | -169.6 | 0 | 0 | 0 | 0 | 114.7 | S158 | S156-S158 VanDerWaalsContact C-N 3.27Å; S156-S158 PolarHBondContact O-N 3.5Å |
| 157 | M | 44.5 | Very low | 54.1 | Low | 103 Ų | 103 | 116 Ų | 116 | 51% | 0.507 | 61% | 0.61 | S | S | . | * | G | 310 helix | trans | -72.8 | -20.7 | 175.2 | -65.4 | -70.7 | 133.9 | 0 | 0 | 112.5 | T79 C155 | T79-M157 HydrophobicContact CG2-CE 3.47Å; T79-M157 VanDerWaalsContact CG2-CE 3.47Å; T79-M157 HydrophobicContact CG2-SD 3.25Å; T79-M157 WeakPolarHBondContact CG2-SD 3.2Å; C155-M157 PolarHBondContact O-N 3.32Å; C155-M157 VanDerWaalsContact O-N 3.17Å |
| 158 | S | 39.2 | Very low | 51.9 | Low | 80 Ų | 80 | 120.3 Ų | 120.3 | 56% | 0.559 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -21.6 | -175.9 | 70.1 | 0 | 0 | 0 | 0 | 114 | C155 S156 Q160 | C155-S158 PolarHBondContact O-N 3.46Å; C155-S158 PolarHBondContact O-OG 3.16Å; S156-S158 VanDerWaalsContact C-N 3.27Å; S156-S158 PolarHBondContact O-N 3.5Å; S158-Q160 PolarHBondContact O-N 2.8Å |
| 159 | A | 45.5 | Very low | 49.9 | Very low | 62 Ų | 62 | 113.3 Ų | 113.3 | 51% | 0.512 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.2 | -10.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 160 | Q | 50.3 | Low | 47.8 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 49% | 0.486 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | -1.2 | -178.2 | -63.2 | -163.5 | -69.3 | 0 | 0 | 114.6 | R74 S158 | R74-Q160 PolarHBondContact O-NE2 3.37Å; S158-Q160 PolarHBondContact O-N 2.8Å |
| 161 | K | 38.9 | Very low | 45.9 | Very low | 187 Ų | 187 | 123.1 Ų | 123.1 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -94.1 | 0.9 | -173.7 | -164.9 | 163.1 | 177.9 | -171.5 | 0 | 116 | ||
| 162 | T | 35.8 | Very low | 44.7 | Very low | 102 Ų | 102 | 121.8 Ų | 121.8 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -133.9 | 22.7 | -169.2 | 65.6 | 0 | 0 | 0 | 0 | 116.8 | ||
| 163 | W | 39.2 | Very low | 44.1 | Very low | 189 Ų | 189 | 125.9 Ų | 125.9 | 72% | 0.716 | 68% | 0.682 | S | S | * | * | trans | -130 | 36.7 | 179.5 | -60 | 89.7 | 0 | 0 | 0 | 113.4 | ||||
| 164 | S | 32.5 | Very low | 43.8 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -100.9 | 121.9 | 158 | -41.5 | 0 | 0 | 0 | 0 | 105.3 | ||
| 165 | D | 36.7 | Very low | 43.3 | Very low | 158 Ų | 158 | 123 Ų | 123 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 93.8 | 65.7 | -178.9 | -153.3 | 39.3 | 0 | 0 | 0 | 116.5 | ||
| 166 | V | 49.7 | Very low | 43.3 | Very low | 120 Ų | 120 | 126.3 Ų | 126.3 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | trans | -154.6 | 97.5 | 142.7 | -122.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 167 | D | 43.7 | Very low | 43.1 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 84% | 0.84 | 72% | 0.716 | S | S | * | * | trans | -82.2 | 135.4 | 156.2 | -172.8 | 23.5 | 0 | 0 | 0 | 107.9 | ||||
| 168 | D | 41.2 | Very low | 43.2 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 65.7 | 136.7 | 164.5 | -151.6 | 7 | 0 | 0 | 0 | 121 | ||
| 169 | S | 46.3 | Very low | 43.6 | Very low | 86 Ų | 86 | 142 Ų | 142 | 60% | 0.601 | 75% | 0.746 | S | S | * | * | trans | 87.2 | 93.3 | 158.5 | -68.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 170 | R | 43.7 | Very low | 43.6 | Very low | 237 Ų | 237 | 145.3 Ų | 145.3 | 89% | 0.894 | 76% | 0.756 | S | S | * | * | trans | 68.1 | 82.3 | 130.3 | -67 | 173.2 | 161.8 | -130.9 | -3.3 | 117.1 | ||||
| 171 | T | 42.1 | Very low | 43.3 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | -88.4 | 99.8 | 140.7 | -40.9 | 0 | 0 | 0 | 0 | 107.1 | L173 | T171-L173 PolarHBondContact O-N 3.1Š| ||
| 172 | A | 44.8 | Very low | 43.5 | Very low | 86 Ų | 86 | 145.4 Ų | 145.4 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | -57.1 | 107.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 173 | L | 50.2 | Low | 44 | Very low | 146 Ų | 146 | 150.3 Ų | 150.3 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -59.3 | 131.3 | 152.8 | -97.7 | 149.4 | 0 | 0 | 0 | 107.1 | T171 D175 | T171-L173 PolarHBondContact O-N 3.1Å; L173-D175 VanDerWaalsContact C-N 3.28Å; L173-D175 PolarHBondContact O-N 3.23Å | ||
| 174 | P | 47.9 | Very low | 43.7 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -69.3 | 98.1 | 156.7 | 24.5 | -17.5 | 0 | 0 | 0 | 106.3 | D176 | P174-D176 PolarHBondContact O-N 3.32Š| ||
| 175 | D | 42.2 | Very low | 44 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | -65.8 | 85.2 | 156.8 | -91.7 | -23.2 | 0 | 0 | 0 | 106.8 | L173 Y177 | L173-D175 VanDerWaalsContact C-N 3.28Å; L173-D175 PolarHBondContact O-N 3.23Å; D175-Y177 HydrophobicContact CB-CD1 4.05Å; D175-Y177 HydrophobicContact CB-CE1 4.34Å | ||
| 176 | D | 44.7 | Very low | 44.3 | Very low | 162 Ų | 162 | 143 Ų | 143 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -101.9 | 95 | 151.5 | -129.7 | -12.1 | 0 | 0 | 0 | 105.5 | P174 | P174-D176 PolarHBondContact O-N 3.32Š| ||
| 177 | Y | 47.2 | Very low | 44 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -101.3 | 110.4 | 169.6 | 55.7 | -81.3 | 0 | 0 | 0 | 106.3 | D175 | D175-Y177 HydrophobicContact CB-CD1 4.05Å; D175-Y177 HydrophobicContact CB-CE1 4.34Å | ||
| 178 | E | 44.9 | Very low | 44.1 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -178.6 | 161.2 | 140.4 | -111.7 | -172.4 | 171.3 | 0 | 0 | 108.6 | ||||
| 179 | E | 47.6 | Very low | 44.7 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | 90.2 | 78.8 | 176.4 | -143.5 | 160.2 | -151.2 | 0 | 0 | 113.8 | ||||
| 180 | N | 45.8 | Very low | 45 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | 48.6 | 117.2 | 87.8 | -96.1 | -58 | 0 | 0 | 0 | 114 | |||||
| 181 | L | 44.9 | Very low | 45 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 75.4 | 122 | 138.3 | -69.4 | 158.7 | 0 | 0 | 0 | 118.6 | ||||
| 182 | D | 41.8 | Very low | 45.5 | Very low | 142 Ų | 142 | 138 Ų | 138 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | 102.4 | 107 | 130.1 | -139.5 | 29 | 0 | 0 | 0 | 117.6 | ||||
| 183 | W | 46.3 | Very low | 45.8 | Very low | 206 Ų | 206 | 138.6 Ų | 138.6 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | 52.7 | 100.3 | 123.3 | -168.6 | -92.5 | 0 | 0 | 0 | 117.9 | S185 | W183-S185 PolarHBondContact O-N 3.41Å; W183-S185 VanDerWaalsContact O-N 3.08Å | |||
| 184 | S | 34.4 | Very low | 45.9 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | 29.3 | 76.4 | 117.9 | -50.4 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 185 | S | 39 | Very low | 45.9 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | trans | -167.3 | 123.5 | 142.6 | -157 | 0 | 0 | 0 | 0 | 112.2 | W183 | W183-S185 PolarHBondContact O-N 3.41Å; W183-S185 VanDerWaalsContact O-N 3.08Å | ||
| 186 | S | 41.8 | Very low | 46.3 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 37.1 | 111.4 | 145.1 | -106.7 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 187 | S | 43.3 | Very low | 46.3 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | 90.9 | 118.4 | 88.7 | -69.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 188 | I | 46.6 | Very low | 46 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 80% | 0.795 | 76% | 0.759 | S | S | * | * | trans | 84.7 | 91 | 140.9 | -54.7 | 157.8 | 0 | 0 | 0 | 117.5 | ||||
| 189 | A | 52.5 | Low | 46.2 | Very low | 87 Ų | 87 | 136 Ų | 136 | 72% | 0.719 | 76% | 0.755 | S | S | * | * | 62.1 | 166.3 | 114.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 190 | P | 52.5 | Low | 46 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | -134.5 | -158.9 | -108.5 | 33.2 | -8 | 0 | 0 | 0 | 113.5 | |||||
| 191 | D | 43.7 | Very low | 46.1 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | 100.5 | 121 | 154.3 | -164.8 | 31.8 | 0 | 0 | 0 | 118.6 | ||||
| 192 | K | 53.4 | Low | 46 | Very low | 182 Ų | 182 | 131.6 Ų | 131.6 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | 171.5 | 104.5 | 120.6 | -88.6 | 163.2 | -168.2 | -179.3 | 0 | 114.8 | |||||
| 193 | S | 52.2 | Low | 46.2 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | 51.1 | 121.2 | 127.7 | 69.7 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 194 | K | 51.3 | Low | 45.8 | Very low | 177 Ų | 177 | 130.3 Ų | 130.3 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | 175.6 | 110.8 | 112.2 | -112.5 | 164.6 | 169.3 | 167.9 | 0 | 112.2 | |||||
| 195 | K | 47.8 | Very low | 46.3 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | 80.9 | 105.2 | 101.9 | -69.6 | -170.1 | -169.7 | -169.2 | 0 | 115.7 | |||||
| 196 | M | 50 | Low | 46.6 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 82% | 0.823 | 75% | 0.753 | S | S | * | * | 77.5 | 126 | 110.7 | -65.4 | 172.9 | 91.2 | 0 | 0 | 112.7 | |||||
| 197 | N | 46.1 | Very low | 46.7 | Very low | 150 Ų | 150 | 129.6 Ų | 129.6 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | -179.7 | 119.9 | 58.4 | 41.1 | -4 | 0 | 0 | 0 | 108.8 | |||||
| 198 | A | 39.9 | Very low | 46.8 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 67.1 | 107.9 | 84.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 199 | S | 50.1 | Low | 46.9 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | 174.8 | 104.2 | 130.2 | -74.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 200 | T | 41.6 | Very low | 46.5 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | 61.2 | 116.9 | 84.8 | -33 | 0 | 0 | 0 | 0 | 112 | |||||
| 201 | M | 49.4 | Very low | 46.5 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | 177.6 | 139.5 | 86.4 | -86.2 | -98 | 132 | 0 | 0 | 111.6 | |||||
| 202 | T | 41.8 | Very low | 46.6 | Very low | 103 Ų | 103 | 137 Ų | 137 | 63% | 0.632 | 77% | 0.77 | S | S | * | * | trans | 62.2 | 113.9 | 136.4 | 61 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 203 | L | 45.6 | Very low | 46.5 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | 89.8 | 142.1 | 67.4 | -81.7 | 171.8 | 0 | 0 | 0 | 114 | |||||
| 204 | D | 39.5 | Very low | 46.7 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | 100.9 | 96.9 | 161.8 | -136.9 | 33.5 | 0 | 0 | 0 | 115.6 | ||||
| 205 | S | 44.3 | Very low | 47.6 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 88 | 142.5 | 62.8 | -149.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 206 | S | 45.8 | Very low | 49.2 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 84.6 | 87.9 | 164.2 | -52.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 207 | G | 44.4 | Very low | 50.8 | Low | 80 Ų | 80 | 128.8 Ų | 128.8 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | 75.3 | 126.4 | 112.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 208 | R | 44.6 | Very low | 52.5 | Low | 245 Ų | 245 | 127 Ų | 127 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | 142.3 | 125.1 | 115.7 | -167.3 | 159.6 | -174.4 | 171.2 | 0.5 | 112.7 | |||||
| 209 | S | 49.3 | Very low | 54.7 | Low | 84 Ų | 84 | 127.7 Ų | 127.7 | 59% | 0.587 | 74% | 0.735 | S | S | * | * | trans | 74.7 | 90.3 | 149.2 | -173.7 | 0 | 0 | 0 | 0 | 118.4 | Q211 | S209-Q211 PolarHBondContact O-N 2.76Š| ||
| 210 | V | 42.8 | Very low | 56.4 | Low | 154 Ų | 154 | 126.5 Ų | 126.5 | 93% | 0.933 | 72% | 0.717 | S | S | * | * | trans | -80 | 99.1 | 150.9 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 211 | Q | 52.1 | Low | 58.6 | Low | 161 Ų | 161 | 125.3 Ų | 125.3 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | trans | -126.4 | 120.6 | 161.4 | -77.2 | -167.4 | -35.2 | 0 | 0 | 108.6 | S209 | S209-Q211 PolarHBondContact O-N 2.76Š| ||
| 212 | S | 45.8 | Very low | 60.6 | Low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 69% | 0.694 | S | S | * | * | trans | 60.7 | 129.2 | 143 | 61.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 213 | S | 51.6 | Low | 62.8 | Low | 100 Ų | 100 | 125.9 Ų | 125.9 | 70% | 0.699 | 69% | 0.692 | S | S | * | * | trans | 86.9 | 119.2 | 151.8 | 82.9 | 0 | 0 | 0 | 0 | 117 | Q215 | S213-Q215 PolarHBondContact O-N 3.35Š| ||
| 214 | T | 56.6 | Low | 64.9 | Low | 149 Ų | 149 | 121.9 Ų | 121.9 | 91% | 0.914 | 67% | 0.67 | S | S | * | * | trans | -60.7 | 72 | 174.5 | 41.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 215 | Q | 71.3 | Confident | 67.3 | Low | 170 Ų | 170 | 121.2 Ų | 121.2 | 79% | 0.794 | 66% | 0.662 | S | S | * | * | trans | -129.5 | 111 | 164.4 | -61.8 | -156.2 | 12.5 | 0 | 0 | 108.8 | S213 T217 | S213-Q215 PolarHBondContact O-N 3.35Å; Q215-T217 PolarHBondContact O-N 3.31Å | ||
| 216 | F | 79.7 | Confident | 69.6 | Low | 130 Ų | 130 | 121.8 Ų | 121.8 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | trans | -64.5 | 133.8 | 175.6 | -68.5 | -77.9 | 0 | 0 | 0 | 109.6 | Q220 I221 M224 | F216-Q220 HydrophobicContact CB-CB 4.31Å; F216-Q220 HydrophobicContact CD1-CB 4.34Å; F216-I221 HydrophobicContact CB-CD1 4.26Å; F216-I221 HydrophobicContact CB-CG1 3.72Å; F216-M224 HydrophobicContact CB-CE 3.98Å; F216-M224 HydrophobicContact CD1-CE 3.74Å; F216-M224 HydrophobicContact CD1-SD 4.24Å; F216-M224 HydrophobicContact CD2-CE 3.9Å; F216-M224 HydrophobicContact CE1-CE 4.16Å; F216-M224 HydrophobicContact CE1-SD 4.1Å; F216-M224 HydrophobicContact CE2-CE 4.3Å; F216-M224 HydrophobicContact CG-CE 3.59Å; F216-M224 HydrophobicContact CZ-CE 4.43Å; F216-M224 HydrophobicContact CZ-SD 4.31Å | ||
| 217 | T | 83.6 | Confident | 71.8 | Confident | 68 Ų | 68 | 121.9 Ų | 121.9 | 42% | 0.417 | 65% | 0.645 | S | S | . | * | trans | -60.2 | 151.2 | 172.1 | 59.3 | 0 | 0 | 0 | 0 | 110.2 | Q215 E219 Q220 I221 | Q215-T217 PolarHBondContact O-N 3.31Å; T217-E219 PolarHBondContact O-N 3.2Å; T217-E219 VanDerWaalsContact O-N 3.17Å; T217-Q220 WeakPolarHBondContact O-CB 3.4Å; T217-Q220 PolarHBondContact O-N 2.94Å; T217-Q220 WeakPolarHBondContact OG1-CB 3.4Å; T217-Q220 VanDerWaalsContact OG1-CD 3.29Å; T217-Q220 WeakPolarHBondContact OG1-CG 3.34Å; T217-Q220 PolarHBondContact OG1-N 2.88Å; T217-Q220 PolarHBondContact OG1-OE1 3.37Å; T217-I221 WeakPolarHBondContact O-CG1 3.35Å; T217-I221 PolarHBondContact O-N 3.3Å | ||
| 218 | P | 83.4 | Confident | 74.2 | Confident | 112 Ų | 112 | 127.1 Ų | 127.1 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -57.4 | -33.2 | 179.2 | 23.1 | -33.8 | 0 | 0 | 0 | 112.2 | I221 Q222 | P218-I221 PolarHBondContact O-N 2.8Å; P218-Q222 PolarHBondContact O-N 3.48Å |
| 219 | E | 85 | Confident | 76.5 | Confident | 110 Ų | 110 | 123.1 Ų | 123.1 | 51% | 0.514 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.8 | -40.2 | 174.6 | -166.1 | -175.2 | 170.5 | 0 | 0 | 112.4 | T217 Q222 R223 | T217-E219 PolarHBondContact O-N 3.2Å; T217-E219 VanDerWaalsContact O-N 3.17Å; E219-Q222 PolarHBondContact O-N 3.36Å; E219-R223 WeakPolarHBondContact O-CG 3.4Å; E219-R223 PolarHBondContact O-N 3.13Å; E219-R223 IonicContact OE1-CZ 2.72Å; E219-R223 IonicContact OE1-NE 2.65Å; E219-R223 IonicContact OE1-NH2 2.67Å; E219-R223 PolarHBondContact OE1-NH2 3.41Å |
| 220 | Q | 86.8 | Confident | 78.4 | Confident | 87 Ų | 87 | 126.7 Ų | 126.7 | 41% | 0.407 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.1 | -39.4 | 173.3 | -78.6 | 167.8 | -49 | 0 | 0 | 111.9 | F216 T217 R223 M224 | F216-Q220 HydrophobicContact CB-CB 4.31Å; F216-Q220 HydrophobicContact CD1-CB 4.34Å; T217-Q220 WeakPolarHBondContact O-CB 3.4Å; T217-Q220 PolarHBondContact O-N 2.94Å; T217-Q220 WeakPolarHBondContact OG1-CB 3.4Å; T217-Q220 VanDerWaalsContact OG1-CD 3.29Å; T217-Q220 WeakPolarHBondContact OG1-CG 3.34Å; T217-Q220 PolarHBondContact OG1-N 2.88Å; T217-Q220 PolarHBondContact OG1-OE1 3.37Å; Q220-R223 PolarHBondContact O-N 3.35Å; Q220-M224 WeakPolarHBondContact O-CB 3.32Å; Q220-M224 VanDerWaalsContact O-CG 3.3Å; Q220-M224 WeakPolarHBondContact O-CG 3.31Å; Q220-M224 PolarHBondContact O-N 3.16Å |
| 221 | I | 87.5 | Confident | 80.6 | Confident | 86 Ų | 86 | 121.8 Ų | 121.8 | 44% | 0.441 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.8 | -46.1 | 176.6 | -63.2 | 170 | 0 | 0 | 0 | 110.3 | F216 T217 P218 R223 M224 E225 | F216-I221 HydrophobicContact CB-CD1 4.26Å; F216-I221 HydrophobicContact CB-CG1 3.72Å; T217-I221 WeakPolarHBondContact O-CG1 3.35Å; T217-I221 PolarHBondContact O-N 3.3Å; P218-I221 PolarHBondContact O-N 2.8Å; I221-R223 PolarHBondContact O-N 3.27Å; I221-M224 HydrophobicContact CB-CE 4.47Å; I221-M224 HydrophobicContact CG1-CE 4.1Å; I221-M224 PolarHBondContact O-N 3.05Å; I221-E225 PolarHBondContact O-N 3.49Å |
| 222 | Q | 90.3 | Very high | 82.5 | Confident | 115 Ų | 115 | 118.9 Ų | 118.9 | 54% | 0.537 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.2 | -45.3 | 176.8 | -173.5 | 179.3 | -10.7 | 0 | 0 | 111.8 | P218 E219 M224 E225 E226 | P218-Q222 PolarHBondContact O-N 3.48Å; E219-Q222 PolarHBondContact O-N 3.36Å; Q222-M224 VanDerWaalsContact C-N 3.33Å; Q222-M224 PolarHBondContact O-N 3.21Å; Q222-E225 PolarHBondContact O-N 3.07Å; Q222-E226 PolarHBondContact NE2-OE1 3.12Å; Q222-E226 WeakPolarHBondContact O-CG 3.49Å; Q222-E226 PolarHBondContact O-N 3.46Å |
| 223 | R | 88.6 | Confident | 84.6 | Confident | 155 Ų | 155 | 120.2 Ų | 120.2 | 59% | 0.585 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.9 | -38.9 | 175.9 | -70.1 | 178.1 | -170.8 | -174.7 | 3.3 | 112.4 | E219 Q220 I221 N227 | E219-R223 WeakPolarHBondContact O-CG 3.4Å; E219-R223 PolarHBondContact O-N 3.13Å; E219-R223 IonicContact OE1-CZ 2.72Å; E219-R223 IonicContact OE1-NE 2.65Å; E219-R223 IonicContact OE1-NH2 2.67Å; E219-R223 PolarHBondContact OE1-NH2 3.41Å; Q220-R223 PolarHBondContact O-N 3.35Å; I221-R223 PolarHBondContact O-N 3.27Å; R223-N227 WeakPolarHBondContact O-CB 3.41Å; R223-N227 PolarHBondContact O-N 3.12Å |
| 224 | M | 89.4 | Confident | 86.5 | Confident | 87 Ų | 87 | 123.3 Ų | 123.3 | 43% | 0.429 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.6 | -39.8 | 176 | -74 | -172.7 | -62.9 | 0 | 0 | 111.9 | F216 Q220 I221 Q222 N227 R228 | F216-M224 HydrophobicContact CB-CE 3.98Å; F216-M224 HydrophobicContact CD1-CE 3.74Å; F216-M224 HydrophobicContact CD1-SD 4.24Å; F216-M224 HydrophobicContact CD2-CE 3.9Å; F216-M224 HydrophobicContact CE1-CE 4.16Å; F216-M224 HydrophobicContact CE1-SD 4.1Å; F216-M224 HydrophobicContact CE2-CE 4.3Å; F216-M224 HydrophobicContact CG-CE 3.59Å; F216-M224 HydrophobicContact CZ-CE 4.43Å; F216-M224 HydrophobicContact CZ-SD 4.31Å; Q220-M224 WeakPolarHBondContact O-CB 3.32Å; Q220-M224 VanDerWaalsContact O-CG 3.3Å; Q220-M224 WeakPolarHBondContact O-CG 3.31Å; Q220-M224 PolarHBondContact O-N 3.16Å; I221-M224 HydrophobicContact CB-CE 4.47Å; I221-M224 HydrophobicContact CG1-CE 4.1Å; I221-M224 PolarHBondContact O-N 3.05Å; Q222-M224 VanDerWaalsContact C-N 3.33Å; Q222-M224 PolarHBondContact O-N 3.21Å; M224-N227 PolarHBondContact O-N 3.02Å; M224-R228 WeakPolarHBondContact O-CB 3.42Å; M224-R228 PolarHBondContact O-N 3.05Å |
| 225 | E | 91.2 | Very high | 88.1 | Confident | 138 Ų | 138 | 121.1 Ų | 121.1 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68 | -42.6 | 178.1 | -174.4 | 163.5 | -136.3 | 0 | 0 | 112.2 | I221 Q222 N227 R228 K229 | I221-E225 PolarHBondContact O-N 3.49Å; Q222-E225 PolarHBondContact O-N 3.07Å; E225-N227 PolarHBondContact O-N 3.45Å; E225-R228 WeakPolarHBondContact O-CB 3.33Å; E225-R228 PolarHBondContact O-N 3.45Å; E225-K229 PolarHBondContact O-N 3.33Å |
| 226 | E | 91.5 | Very high | 89.1 | Confident | 113 Ų | 113 | 117.2 Ų | 117.2 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.3 | -42.4 | 174.1 | -72.4 | 176.4 | -170.4 | 0 | 0 | 111.9 | Q222 K229 R230 | Q222-E226 PolarHBondContact NE2-OE1 3.12Å; Q222-E226 WeakPolarHBondContact O-CG 3.49Å; Q222-E226 PolarHBondContact O-N 3.46Å; E226-K229 PolarHBondContact O-N 2.87Å; E226-R230 PolarHBondContact O-N 3.01Å |
| 227 | N | 92.1 | Very high | 89.4 | Confident | 112 Ų | 112 | 113.8 Ų | 113.8 | 60% | 0.599 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.4 | -42.5 | 176.3 | -160.2 | -42.1 | 0 | 0 | 0 | 111.3 | R223 M224 E225 K229 R230 A231 | R223-N227 WeakPolarHBondContact O-CB 3.41Å; R223-N227 PolarHBondContact O-N 3.12Å; M224-N227 PolarHBondContact O-N 3.02Å; E225-N227 PolarHBondContact O-N 3.45Å; N227-K229 VanDerWaalsContact C-N 3.33Å; N227-K229 PolarHBondContact O-N 3.15Å; N227-R230 PolarHBondContact O-N 3.28Å; N227-A231 WeakPolarHBondContact O-CB 3.31Å; N227-A231 PolarHBondContact O-N 2.81Å |
| 228 | R | 94.6 | Very high | 89.7 | Confident | 191 Ų | 191 | 119.6 Ų | 119.6 | 72% | 0.721 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57.2 | -44.4 | 173.6 | -174 | -179 | -175.8 | 174.8 | 2.3 | 111.6 | M224 E225 A231 L232 | M224-R228 WeakPolarHBondContact O-CB 3.42Å; M224-R228 PolarHBondContact O-N 3.05Å; E225-R228 WeakPolarHBondContact O-CB 3.33Å; E225-R228 PolarHBondContact O-N 3.45Å; R228-A231 PolarHBondContact O-N 3.46Å; R228-L232 WeakPolarHBondContact O-CG 3.16Å; R228-L232 PolarHBondContact O-N 3.36Å; R228-L232 VanDerWaalsContact O-N 3.15Å |
| 229 | K | 92.5 | Very high | 89.9 | Confident | 161 Ų | 161 | 119.6 Ų | 119.6 | 70% | 0.7 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.5 | -45.8 | 177.6 | -172.2 | 178.4 | 178.5 | -178.9 | 0 | 111.9 | E225 E226 N227 A231 L232 E233 | E225-K229 PolarHBondContact O-N 3.33Å; E226-K229 PolarHBondContact O-N 2.87Å; N227-K229 VanDerWaalsContact C-N 3.33Å; N227-K229 PolarHBondContact O-N 3.15Å; K229-A231 VanDerWaalsContact C-N 3.34Å; K229-A231 PolarHBondContact O-N 2.99Å; K229-L232 PolarHBondContact O-N 3.03Å; K229-E233 PolarHBondContact O-N 2.89Å; K229-E233 VanDerWaalsContact O-N 3.08Å |
| 230 | R | 88.9 | Confident | 90 | Very high | 159 Ų | 159 | 121.4 Ų | 121.4 | 60% | 0.6 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.3 | -35.2 | 179.2 | -162.7 | 176.9 | -171.3 | 172.9 | 2.2 | 112.5 | E226 N227 E233 R234 | E226-R230 PolarHBondContact O-N 3.01Å; N227-R230 PolarHBondContact O-N 3.28Å; R230-E233 PolarHBondContact O-N 3.25Å; R230-R234 WeakPolarHBondContact O-CG 3.42Å; R230-R234 PolarHBondContact O-N 3.14Å |
| 231 | A | 89.2 | Confident | 89.8 | Confident | 51 Ų | 51 | 120.2 Ų | 120.2 | 42% | 0.421 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.5 | -42 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N227 R228 K229 R234 L235 | N227-A231 WeakPolarHBondContact O-CB 3.31Å; N227-A231 PolarHBondContact O-N 2.81Å; R228-A231 PolarHBondContact O-N 3.46Å; K229-A231 VanDerWaalsContact C-N 3.34Å; K229-A231 PolarHBondContact O-N 2.99Å; A231-R234 PolarHBondContact O-N 2.9Å; A231-L235 PolarHBondContact O-N 3.48Å |
| 232 | L | 93.3 | Very high | 89.5 | Confident | 99 Ų | 99 | 120.5 Ų | 120.5 | 52% | 0.518 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.6 | -40.9 | 175 | -72.4 | 174.4 | 0 | 0 | 0 | 112.3 | R228 K229 L235 I236 | R228-L232 WeakPolarHBondContact O-CG 3.16Å; R228-L232 PolarHBondContact O-N 3.36Å; R228-L232 VanDerWaalsContact O-N 3.15Å; K229-L232 PolarHBondContact O-N 3.03Å; L232-L235 PolarHBondContact O-N 3.42Å; L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 3.22Å |
| 233 | E | 90.1 | Very high | 88.8 | Confident | 132 Ų | 132 | 119.4 Ų | 119.4 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.9 | -43.6 | 175.8 | -174.3 | 176.8 | -167.9 | 0 | 0 | 112 | K229 R230 L235 I236 A237 | K229-E233 PolarHBondContact O-N 2.89Å; K229-E233 VanDerWaalsContact O-N 3.08Å; R230-E233 PolarHBondContact O-N 3.25Å; E233-L235 VanDerWaalsContact C-N 3.33Å; E233-L235 PolarHBondContact O-N 3.46Å; E233-I236 PolarHBondContact O-N 3.21Å; E233-A237 WeakPolarHBondContact O-CB 3.45Å; E233-A237 PolarHBondContact O-N 3.15Å |
| 234 | R | 91.8 | Very high | 88.2 | Confident | 164 Ų | 164 | 117.4 Ų | 117.4 | 62% | 0.619 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.8 | -40 | 174.3 | -76.6 | 178.2 | 174.6 | 166.5 | -3 | 112.4 | R230 A231 A237 R238 | R230-R234 WeakPolarHBondContact O-CG 3.42Å; R230-R234 PolarHBondContact O-N 3.14Å; A231-R234 PolarHBondContact O-N 2.9Å; R234-A237 PolarHBondContact O-N 3.27Å; R234-R238 WeakPolarHBondContact O-CB 3.42Å; R234-R238 PolarHBondContact O-N 3.3Å |
| 235 | L | 88.9 | Confident | 87.1 | Confident | 104 Ų | 104 | 120.3 Ų | 120.3 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.5 | -47.1 | 176.9 | -170.2 | 157 | 0 | 0 | 0 | 111 | A231 L232 E233 A237 R238 Q239 | A231-L235 PolarHBondContact O-N 3.48Å; L232-L235 PolarHBondContact O-N 3.42Å; E233-L235 VanDerWaalsContact C-N 3.33Å; E233-L235 PolarHBondContact O-N 3.46Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 3.4Å; L235-R238 PolarHBondContact O-N 3.22Å; L235-Q239 PolarHBondContact O-N 3.37Å |
| 236 | I | 92 | Very high | 85.6 | Confident | 88 Ų | 88 | 120.8 Ų | 120.8 | 45% | 0.451 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.6 | -40.2 | 177.6 | -65.2 | 166.4 | 0 | 0 | 0 | 110.9 | L232 E233 Q239 K240 | L232-I236 WeakPolarHBondContact O-CG1 3.5Å; L232-I236 PolarHBondContact O-N 3.22Å; E233-I236 PolarHBondContact O-N 3.21Å; I236-Q239 PolarHBondContact O-N 2.95Å; I236-K240 HydrophobicContact CG2-CD 4.39Å; I236-K240 WeakPolarHBondContact O-CG 3.33Å; I236-K240 PolarHBondContact O-N 2.93Å |
| 237 | A | 87.6 | Confident | 84.1 | Confident | 57 Ų | 57 | 122.3 Ų | 122.3 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.9 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E233 R234 L235 Q239 K240 S241 | E233-A237 WeakPolarHBondContact O-CB 3.45Å; E233-A237 PolarHBondContact O-N 3.15Å; R234-A237 PolarHBondContact O-N 3.27Å; L235-A237 VanDerWaalsContact C-N 3.34Å; L235-A237 PolarHBondContact O-N 3.4Å; A237-Q239 VanDerWaalsContact C-N 3.34Å; A237-Q239 PolarHBondContact O-N 2.84Å; A237-K240 PolarHBondContact O-N 3.11Å; A237-S241 PolarHBondContact O-N 2.91Å; A237-S241 PolarHBondContact O-OG 3.1Å |
| 238 | R | 88.5 | Confident | 82.7 | Confident | 190 Ų | 190 | 120.3 Ų | 120.3 | 72% | 0.717 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.2 | -39.1 | 175.6 | -168 | 179.1 | -175.5 | -146.7 | 1.9 | 112 | R234 L235 S241 E242 | R234-R238 WeakPolarHBondContact O-CB 3.42Å; R234-R238 PolarHBondContact O-N 3.3Å; L235-R238 PolarHBondContact O-N 3.22Å; R238-S241 PolarHBondContact O-N 2.86Å; R238-S241 PolarHBondContact O-OG 3.43Å; R238-E242 WeakPolarHBondContact O-CB 3.14Å; R238-E242 PolarHBondContact O-N 3.39Å |
| 239 | Q | 87.7 | Confident | 80.4 | Confident | 112 Ų | 112 | 115.5 Ų | 115.5 | 52% | 0.523 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.6 | -36.6 | 176.4 | -166.7 | 178.4 | 0.9 | 0 | 0 | 112.2 | L235 I236 A237 N243 | L235-Q239 PolarHBondContact O-N 3.37Å; I236-Q239 PolarHBondContact O-N 2.95Å; A237-Q239 VanDerWaalsContact C-N 3.34Å; A237-Q239 PolarHBondContact O-N 2.84Å; Q239-N243 WeakPolarHBondContact O-CB 3.49Å; Q239-N243 PolarHBondContact O-N 3Å; Q239-N243 VanDerWaalsContact O-N 3.08Å |
| 240 | K | 86.8 | Confident | 78.2 | Confident | 149 Ų | 149 | 113.5 Ų | 113.5 | 65% | 0.648 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67 | -40.7 | 174.6 | -74.7 | 179 | -179.7 | -179.5 | 0 | 112.3 | I236 A237 N244 | I236-K240 HydrophobicContact CG2-CD 4.39Å; I236-K240 WeakPolarHBondContact O-CG 3.33Å; I236-K240 PolarHBondContact O-N 2.93Å; A237-K240 PolarHBondContact O-N 3.11Å; K240-N244 WeakPolarHBondContact O-CB 3.4Å; K240-N244 PolarHBondContact O-N 3.39Å; K240-N244 VanDerWaalsContact O-N 3.08Å |
| 241 | S | 83.5 | Confident | 76 | Confident | 61 Ų | 61 | 115.6 Ų | 115.6 | 43% | 0.427 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.4 | -42.1 | 176.7 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | A237 R238 N243 N244 E245 | A237-S241 PolarHBondContact O-N 2.91Å; A237-S241 PolarHBondContact O-OG 3.1Å; R238-S241 PolarHBondContact O-N 2.86Å; R238-S241 PolarHBondContact O-OG 3.43Å; S241-N243 VanDerWaalsContact C-N 3.34Å; S241-N243 PolarHBondContact O-N 3.03Å; S241-N244 PolarHBondContact O-N 3.19Å; S241-N244 VanDerWaalsContact O-N 3.16Å; S241-E245 PolarHBondContact O-N 3.24Å |
| 242 | E | 80.3 | Confident | 73.9 | Confident | 92 Ų | 92 | 125.1 Ų | 125.1 | 43% | 0.43 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.5 | -37.4 | 178.2 | -166.4 | -177.3 | 161.7 | 0 | 0 | 112.3 | R238 K246 | R238-E242 WeakPolarHBondContact O-CB 3.14Å; R238-E242 PolarHBondContact O-N 3.39Å; E242-K246 WeakPolarHBondContact O-CG 3.35Å; E242-K246 PolarHBondContact O-N 3.32Å; E242-K246 IonicContact OE1-NZ 3.77Å; E242-K246 PolarHBondContact OE1-NZ 3.49Å |
| 243 | N | 76.8 | Confident | 71.3 | Confident | 93 Ų | 93 | 125 Ų | 125 | 50% | 0.497 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70 | -33 | 173.9 | -83.6 | -1 | 0 | 0 | 0 | 112.9 | Q239 S241 I247 | Q239-N243 WeakPolarHBondContact O-CB 3.49Å; Q239-N243 PolarHBondContact O-N 3Å; Q239-N243 VanDerWaalsContact O-N 3.08Å; S241-N243 VanDerWaalsContact C-N 3.34Å; S241-N243 PolarHBondContact O-N 3.03Å; N243-I247 WeakPolarHBondContact O-CD1 3.45Å; N243-I247 WeakPolarHBondContact O-CG1 3.49Å |
| 244 | N | 75.4 | Confident | 69 | Low | 112 Ų | 112 | 125 Ų | 125 | 60% | 0.599 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.4 | -38 | 178.3 | -162.1 | 30.9 | 0 | 0 | 0 | 111.9 | K240 S241 K246 I247 A248 | K240-N244 WeakPolarHBondContact O-CB 3.4Å; K240-N244 PolarHBondContact O-N 3.39Å; K240-N244 VanDerWaalsContact O-N 3.08Å; S241-N244 PolarHBondContact O-N 3.19Å; S241-N244 VanDerWaalsContact O-N 3.16Å; N244-K246 VanDerWaalsContact C-N 3.32Å; N244-K246 PolarHBondContact O-N 3.32Å; N244-I247 PolarHBondContact O-N 3.5Å; N244-A248 WeakPolarHBondContact O-CB 3.49Å; N244-A248 PolarHBondContact O-N 3.41Å |
| 245 | E | 65.6 | Low | 66.8 | Low | 149 Ų | 149 | 124.8 Ų | 124.8 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65.4 | -33.5 | 175.7 | -76.6 | -174.8 | 161.8 | 0 | 0 | 112.6 | S241 I247 | S241-E245 PolarHBondContact O-N 3.24Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 PolarHBondContact O-N 3.46Å |
| 246 | K | 61.4 | Low | 64.6 | Low | 147 Ų | 147 | 127.5 Ų | 127.5 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -18.5 | 176.1 | -72 | 175.7 | -172.5 | 170.5 | 0 | 114.2 | E242 N244 | E242-K246 WeakPolarHBondContact O-CG 3.35Å; E242-K246 PolarHBondContact O-N 3.32Å; E242-K246 IonicContact OE1-NZ 3.77Å; E242-K246 PolarHBondContact OE1-NZ 3.49Å; N244-K246 VanDerWaalsContact C-N 3.32Å; N244-K246 PolarHBondContact O-N 3.32Å |
| 247 | I | 60 | Low | 62.4 | Low | 146 Ų | 146 | 131.6 Ų | 131.6 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | -20.8 | -179.4 | -62.3 | 171.7 | 0 | 0 | 0 | 111.8 | N243 N244 E245 | N243-I247 WeakPolarHBondContact O-CD1 3.45Å; N243-I247 WeakPolarHBondContact O-CG1 3.49Å; N244-I247 PolarHBondContact O-N 3.5Å; E245-I247 VanDerWaalsContact C-N 3.28Å; E245-I247 PolarHBondContact O-N 3.46Å |
| 248 | A | 61.2 | Low | 60.2 | Low | 70 Ų | 70 | 137.6 Ų | 137.6 | 58% | 0.579 | 69% | 0.691 | S | S | * | * | trans | -100.9 | 16.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | N244 P250 | N244-A248 WeakPolarHBondContact O-CB 3.49Å; N244-A248 PolarHBondContact O-N 3.41Å; A248-P250 WeakPolarHBondContact O-CD 3.47Å | ||
| 249 | A | 47.3 | Very low | 58.2 | Low | 89 Ų | 89 | 138 Ų | 138 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | trans | -98.4 | 97.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 250 | P | 46.7 | Very low | 56 | Low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | trans | -86.7 | 135 | 171.6 | 33.5 | -33.2 | 0 | 0 | 0 | 112 | A248 | A248-P250 WeakPolarHBondContact O-CD 3.47Š| ||
| 251 | K | 42.4 | Very low | 53.7 | Low | 204 Ų | 204 | 139.6 Ų | 139.6 | 89% | 0.887 | 72% | 0.72 | S | S | * | * | trans | -53.1 | 131.8 | 167.6 | -65.6 | 173.7 | 175.5 | 179.7 | 0 | 111.7 | ||||
| 252 | R | 43.9 | Very low | 51.8 | Low | 250 Ų | 250 | 141.5 Ų | 141.5 | 94% | 0.943 | 73% | 0.731 | S | S | * | * | trans | -136.8 | 101.9 | 153.1 | -86.7 | -171.9 | 174.5 | 174.5 | -1.6 | 109.7 | ||||
| 253 | S | 40.4 | Very low | 49.9 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | trans | -72.3 | 143.4 | 155.3 | 40.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 254 | D | 41.5 | Very low | 47.9 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | 168.8 | 132.2 | 122.1 | -86.8 | -18.4 | 0 | 0 | 0 | 113.5 | |||||
| 255 | Q | 45.2 | Very low | 46.5 | Very low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | trans | 71 | 141.8 | 150.1 | -62.8 | 167.2 | 30.4 | 0 | 0 | 118.3 | ||||
| 256 | Q | 43.6 | Very low | 45.7 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | cis | -175.7 | 133.7 | -5.6 | -109.3 | 171 | -20.2 | 0 | 0 | 103.4 | ||||
| 257 | D | 45.2 | Very low | 45.1 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | 178.3 | 129.1 | 132.6 | -99.2 | -32.8 | 0 | 0 | 0 | 112.2 | ||||
| 258 | E | 40.9 | Very low | 44.7 | Very low | 184 Ų | 184 | 141.6 Ų | 141.6 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -75.3 | 141.7 | -177.8 | -67.2 | -171.9 | 106.1 | 0 | 0 | 113 | ||||
| 259 | K | 47.2 | Very low | 43.9 | Very low | 197 Ų | 197 | 147 Ų | 147 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | -168.2 | 103.5 | 130 | -106.9 | 172 | -174.4 | -175.9 | 0 | 111.9 | |||||
| 260 | Q | 40.9 | Very low | 44.2 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | 34.8 | 107.4 | 140 | -69.3 | 173.1 | -37 | 0 | 0 | 120.6 | ||||
| 261 | S | 37.8 | Very low | 44.6 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 9.3 | 161.8 | 128.2 | -118.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 262 | P | 43.9 | Very low | 45 | Very low | 102 Ų | 102 | 144 Ų | 144 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | cis | -141.5 | 162.1 | 4.9 | 38.4 | -18.1 | 0 | 0 | 0 | 117.3 | ||||
| 263 | N | 40.7 | Very low | 45.4 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 46.3 | 123 | 136.2 | -64.1 | -23.1 | 0 | 0 | 0 | 122.8 | ||||
| 264 | A | 35.8 | Very low | 46.2 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | 63.7 | 100.3 | 127.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 265 | S | 44.3 | Very low | 47.1 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -140.7 | 74 | 150.4 | 52.7 | 0 | 0 | 0 | 0 | 108.6 | D267 | S265-D267 PolarHBondContact O-N 2.99Š| ||
| 266 | E | 50.1 | Low | 47.8 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 93% | 0.925 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 66 | 154.6 | -66.5 | -175.1 | 136.2 | 0 | 0 | 108.7 | ||
| 267 | D | 47.6 | Very low | 48.7 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 58% | 0.583 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.9 | -5.8 | 177.9 | -96.8 | -38 | 0 | 0 | 0 | 114 | S265 F269 E271 | S265-D267 PolarHBondContact O-N 2.99Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 2.88Å; D267-E271 PolarHBondContact O-N 3.37Å |
| 268 | S | 51.6 | Low | 50 | Low | 86 Ų | 86 | 131.2 Ų | 131.2 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -12.6 | -175.6 | -175.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 269 | F | 46.1 | Very low | 51.3 | Low | 183 Ų | 183 | 129.8 Ų | 129.8 | 80% | 0.803 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -25.1 | 179.3 | -169.3 | -108 | 0 | 0 | 0 | 112.6 | D267 | D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 2.88Å |
| 270 | A | 52.4 | Low | 52.4 | Low | 57 Ų | 57 | 126.5 Ų | 126.5 | 47% | 0.471 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -81.2 | -28.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q272 S273 S274 | A270-Q272 VanDerWaalsContact C-N 3.26Å; A270-Q272 PolarHBondContact O-N 2.91Å; A270-S273 PolarHBondContact O-N 3.42Å; A270-S273 PolarHBondContact O-OG 2.94Å; A270-S274 PolarHBondContact O-OG 3.32Å |
| 271 | E | 54.6 | Low | 53.9 | Low | 144 Ų | 144 | 122.7 Ų | 122.7 | 67% | 0.673 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -72.4 | -15.4 | 174.4 | -81.4 | -172.6 | 145.2 | 0 | 0 | 114.2 | D267 S274 | D267-E271 PolarHBondContact O-N 3.37Å; E271-S274 WeakPolarHBondContact CA-OG 3.48Å; E271-S274 PolarHBondContact O-OG 3.42Å; E271-S274 VanDerWaalsContact O-OG 3.1Å |
| 272 | Q | 50.8 | Low | 55.5 | Low | 147 Ų | 147 | 123 Ų | 123 | 69% | 0.687 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -87.4 | -21.7 | 174.6 | -70.8 | -172.1 | -4.9 | 0 | 0 | 112.9 | A270 | A270-Q272 VanDerWaalsContact C-N 3.26Å; A270-Q272 PolarHBondContact O-N 2.91Å |
| 273 | S | 53.8 | Low | 56.9 | Low | 84 Ų | 84 | 121.3 Ų | 121.3 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -84.5 | -20.1 | 176.5 | 68.5 | 0 | 0 | 0 | 0 | 113.2 | A270 R275 | A270-S273 PolarHBondContact O-N 3.42Å; A270-S273 PolarHBondContact O-OG 2.94Å; S273-R275 PolarHBondContact O-N 3.17Å |
| 274 | S | 56.4 | Low | 58.5 | Low | 93 Ų | 93 | 117.1 Ų | 117.1 | 65% | 0.65 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 3.2 | 176.1 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | A270 E271 | A270-S274 PolarHBondContact O-OG 3.32Å; E271-S274 WeakPolarHBondContact CA-OG 3.48Å; E271-S274 PolarHBondContact O-OG 3.42Å; E271-S274 VanDerWaalsContact O-OG 3.1Å |
| 275 | R | 60.3 | Low | 60.3 | Low | 222 Ų | 222 | 119.7 Ų | 119.7 | 84% | 0.838 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 18.9 | 174.9 | -118.3 | -179.3 | -172.9 | 167.2 | 3.2 | 114.2 | S273 L277 | S273-R275 PolarHBondContact O-N 3.17Å; R275-L277 PolarHBondContact O-N 3.44Å |
| 276 | M | 60.1 | Low | 61.6 | Low | 163 Ų | 163 | 119.4 Ų | 119.4 | 80% | 0.803 | 62% | 0.616 | S | S | * | * | trans | -70.7 | 107.5 | 167.6 | -68.8 | -96.9 | 86.5 | 0 | 0 | 108.4 | S278 | M276-S278 PolarHBondContact O-N 3.04Š| ||
| 277 | L | 62.5 | Low | 62.4 | Low | 83 Ų | 83 | 113 Ų | 113 | 44% | 0.435 | 60% | 0.603 | S | S | . | * | trans | -52.1 | 134 | 169.9 | -62.2 | 169.2 | 0 | 0 | 0 | 108.4 | R275 E281 | R275-L277 PolarHBondContact O-N 3.44Å; L277-E281 HydrophobicContact CB-CB 4.3Å; L277-E281 HydrophobicContact CB-CG 4.39Å; L277-E281 HydrophobicContact CD2-CG 3.93Å; L277-E281 WeakPolarHBondContact CD2-OE1 3.44Å | ||
| 278 | S | 72.5 | Confident | 63.2 | Low | 60 Ų | 60 | 114.6 Ų | 114.6 | 42% | 0.42 | 61% | 0.605 | S | S | . | * | trans | -58.2 | 149.2 | 174.5 | 68.8 | 0 | 0 | 0 | 0 | 109.5 | M276 N280 E281 F282 | M276-S278 PolarHBondContact O-N 3.04Å; S278-N280 PolarHBondContact O-N 3.32Å; S278-E281 WeakPolarHBondContact O-CA 3.48Å; S278-E281 WeakPolarHBondContact O-CB 3.42Å; S278-E281 PolarHBondContact O-N 3.12Å; S278-E281 WeakPolarHBondContact OG-CB 3.42Å; S278-E281 PolarHBondContact OG-N 2.99Å; S278-F282 PolarHBondContact O-N 2.81Å | ||
| 279 | E | 68.1 | Low | 63.5 | Low | 154 Ų | 154 | 115.6 Ų | 115.6 | 72% | 0.72 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -50.4 | -33.7 | 178.9 | -171.2 | 171.4 | -178.5 | 0 | 0 | 111.9 | L283 | E279-L283 HydrophobicContact CG-CD1 4.35Å; E279-L283 WeakPolarHBondContact O-CB 3.45Å; E279-L283 WeakPolarHBondContact O-CD1 3.21Å; E279-L283 WeakPolarHBondContact O-CG 3.49Å; E279-L283 PolarHBondContact O-N 3.37Å |
| 280 | N | 69.6 | Low | 64 | Low | 129 Ų | 129 | 112.4 Ų | 112.4 | 69% | 0.69 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.9 | -32.4 | 177.4 | -53.3 | -18.6 | 0 | 0 | 0 | 113.2 | S278 A284 | S278-N280 PolarHBondContact O-N 3.32Å; N280-A284 WeakPolarHBondContact O-CB 3.43Å; N280-A284 PolarHBondContact O-N 3Å; N280-A284 VanDerWaalsContact O-N 3.12Å |
| 281 | E | 73.7 | Confident | 64.2 | Low | 104 Ų | 104 | 119 Ų | 119 | 49% | 0.486 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -79.9 | -37.9 | 178.5 | -170.5 | 173.8 | -168.8 | 0 | 0 | 111.2 | L277 S278 L283 A284 E285 | L277-E281 HydrophobicContact CB-CB 4.3Å; L277-E281 HydrophobicContact CB-CG 4.39Å; L277-E281 HydrophobicContact CD2-CG 3.93Å; L277-E281 WeakPolarHBondContact CD2-OE1 3.44Å; S278-E281 WeakPolarHBondContact O-CA 3.48Å; S278-E281 WeakPolarHBondContact O-CB 3.42Å; S278-E281 PolarHBondContact O-N 3.12Å; S278-E281 WeakPolarHBondContact OG-CB 3.42Å; S278-E281 PolarHBondContact OG-N 2.99Å; E281-L283 VanDerWaalsContact C-N 3.35Å; E281-A284 PolarHBondContact O-N 2.93Å; E281-E285 PolarHBondContact O-N 3.36Å |
| 282 | F | 71.8 | Confident | 64.1 | Low | 116 Ų | 116 | 116.2 Ų | 116.2 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62 | -41.4 | 171.1 | -178.7 | -102.2 | 0 | 0 | 0 | 112.1 | S278 E285 L286 | S278-F282 PolarHBondContact O-N 2.81Å; F282-E285 PolarHBondContact O-N 3.06Å; F282-L286 HydrophobicContact CD1-CD1 4.02Å; F282-L286 HydrophobicContact CE1-CD1 3.45Å; F282-L286 VanDerWaalsContact CE1-CD1 3.45Å; F282-L286 HydrophobicContact CE2-CD1 4.41Å; F282-L286 HydrophobicContact CZ-CD1 3.69Å; F282-L286 PolarHBondContact O-N 3.19Å |
| 283 | L | 72.2 | Confident | 63.6 | Low | 68 Ų | 68 | 116.4 Ų | 116.4 | 36% | 0.356 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -70.1 | -34.5 | 176.5 | -71.5 | 171 | 0 | 0 | 0 | 112.6 | E279 E281 L286 G287 F288 | E279-L283 HydrophobicContact CG-CD1 4.35Å; E279-L283 WeakPolarHBondContact O-CB 3.45Å; E279-L283 WeakPolarHBondContact O-CD1 3.21Å; E279-L283 WeakPolarHBondContact O-CG 3.49Å; E279-L283 PolarHBondContact O-N 3.37Å; E281-L283 VanDerWaalsContact C-N 3.35Å; L283-L286 PolarHBondContact O-N 3.15Å; L283-G287 PolarHBondContact O-N 2.89Å; L283-F288 HydrophobicContact CB-CB 4.36Å; L283-F288 HydrophobicContact CD2-CB 4.41Å; L283-F288 WeakPolarHBondContact O-CA 3.49Å; L283-F288 PolarHBondContact O-N 3.31Å |
| 284 | A | 74.7 | Confident | 64.1 | Low | 59 Ų | 59 | 118 Ų | 118 | 49% | 0.488 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -65.6 | -38 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N280 E281 L286 G287 | N280-A284 WeakPolarHBondContact O-CB 3.43Å; N280-A284 PolarHBondContact O-N 3Å; N280-A284 VanDerWaalsContact O-N 3.12Å; E281-A284 PolarHBondContact O-N 2.93Å; A284-L286 VanDerWaalsContact C-N 3.29Å; A284-L286 PolarHBondContact O-N 3.32Å; A284-G287 PolarHBondContact O-N 3.39Å |
| 285 | E | 73.6 | Confident | 64.5 | Low | 150 Ų | 150 | 119.3 Ų | 119.3 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.9 | -26 | 176.5 | -168.1 | 161.8 | -173.7 | 0 | 0 | 112.8 | E281 F282 G287 | E281-E285 PolarHBondContact O-N 3.36Å; F282-E285 PolarHBondContact O-N 3.06Å; E285-G287 VanDerWaalsContact C-N 3.29Å; E285-G287 PolarHBondContact O-N 2.65Å |
| 286 | L | 71.6 | Confident | 64.8 | Low | 98 Ų | 98 | 113.6 Ų | 113.6 | 51% | 0.513 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.9 | 7 | 172.4 | -68.8 | 175.7 | 0 | 0 | 0 | 114.1 | F282 L283 A284 F288 | F282-L286 HydrophobicContact CD1-CD1 4.02Å; F282-L286 HydrophobicContact CE1-CD1 3.45Å; F282-L286 VanDerWaalsContact CE1-CD1 3.45Å; F282-L286 HydrophobicContact CE2-CD1 4.41Å; F282-L286 HydrophobicContact CZ-CD1 3.69Å; F282-L286 PolarHBondContact O-N 3.19Å; L283-L286 PolarHBondContact O-N 3.15Å; A284-L286 VanDerWaalsContact C-N 3.29Å; A284-L286 PolarHBondContact O-N 3.32Å; L286-F288 VanDerWaalsContact C-N 3.27Å; L286-F288 HydrophobicContact CB-CD2 3.83Å; L286-F288 HydrophobicContact CB-CE2 4.26Å; L286-F288 WeakPolarHBondContact O-CD2 3.5Å; L286-F288 PolarHBondContact O-N 3.47Å |
| 287 | G | 66.9 | Low | 65.1 | Low | 63 Ų | 63 | 110.7 Ų | 110.7 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.3 | 14.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | L283 A284 E285 S289 | L283-G287 PolarHBondContact O-N 2.89Å; A284-G287 PolarHBondContact O-N 3.39Å; E285-G287 VanDerWaalsContact C-N 3.29Å; E285-G287 PolarHBondContact O-N 2.65Å; G287-S289 PolarHBondContact O-N 3.49Å |
| 288 | F | 63.7 | Low | 65.2 | Low | 143 Ų | 143 | 112.4 Ų | 112.4 | 63% | 0.627 | 68% | 0.681 | S | S | * | * | trans | -93.2 | 81.3 | 172 | -68.2 | -80.8 | 0 | 0 | 0 | 109.2 | L283 L286 S290 | L283-F288 HydrophobicContact CB-CB 4.36Å; L283-F288 HydrophobicContact CD2-CB 4.41Å; L283-F288 WeakPolarHBondContact O-CA 3.49Å; L283-F288 PolarHBondContact O-N 3.31Å; L286-F288 VanDerWaalsContact C-N 3.27Å; L286-F288 HydrophobicContact CB-CD2 3.83Å; L286-F288 HydrophobicContact CB-CE2 4.26Å; L286-F288 WeakPolarHBondContact O-CD2 3.5Å; L286-F288 PolarHBondContact O-N 3.47Å; F288-S290 PolarHBondContact O-N 3.28Å | ||
| 289 | S | 58.2 | Low | 64.7 | Low | 108 Ų | 108 | 115.9 Ų | 115.9 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | trans | -69.9 | 115.3 | 166.9 | -71.7 | 0 | 0 | 0 | 0 | 109.4 | G287 E291 | G287-S289 PolarHBondContact O-N 3.49Å; S289-E291 VanDerWaalsContact C-N 3.32Å; S289-E291 PolarHBondContact O-N 2.99Å | ||
| 290 | S | 57.7 | Low | 64.5 | Low | 116 Ų | 116 | 113.2 Ų | 113.2 | 81% | 0.811 | 70% | 0.697 | S | S | * | * | trans | -68.2 | 93 | 164.9 | -176 | 0 | 0 | 0 | 0 | 108.5 | F288 A292 | F288-S290 PolarHBondContact O-N 3.28Å; S290-A292 PolarHBondContact O-N 3.25Å | ||
| 291 | E | 56 | Low | 64.1 | Low | 194 Ų | 194 | 112 Ų | 112 | 91% | 0.907 | 70% | 0.698 | S | S | * | * | trans | -82.2 | 86 | 167.7 | -157.1 | 173.4 | -178.2 | 0 | 0 | 107.1 | S289 | S289-E291 VanDerWaalsContact C-N 3.32Å; S289-E291 PolarHBondContact O-N 2.99Å | ||
| 292 | A | 53 | Low | 63.3 | Low | 86 Ų | 86 | 112.7 Ų | 112.7 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | trans | -100.5 | 116.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | S290 | S290-A292 PolarHBondContact O-N 3.25Š| ||
| 293 | G | 40.4 | Very low | 62.5 | Low | 151 Ų | 151 | 112.4 Ų | 112.4 | 100% | 1.557 | 73% | 0.734 | S | S | * | * | trans | -82.1 | 0 | 152.6 | 0 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 293 of 293 residues in 203.7 ms
(Link to these results)