| 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 | 41.7 | Very low | 39.6 | Very low | 245 Ų | 245 | 143.5 Ų | 143.5 | 100% | 1.207 | 84% | 0.836 | S | S | * | * | 0 | 129.1 | 0 | -99.6 | 179.6 | 163.2 | 0 | 0 | 107.3 | |||||
| 2 | A | 39.8 | Very low | 39 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 78% | 0.777 | 84% | 0.835 | S | S | * | * | trans | 65.3 | 141.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 3 | D | 43 | Very low | 38.6 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 78% | 0.781 | 84% | 0.839 | S | S | * | * | cis | -171.1 | 165.2 | -29 | -123 | -55.5 | 0 | 0 | 0 | 106.5 | ||||
| 4 | R | 43.4 | Very low | 38.6 | Very low | 227 Ų | 227 | 137.8 Ų | 137.8 | 86% | 0.857 | 84% | 0.839 | S | S | * | * | trans | -56.1 | 149 | -177.1 | -70.8 | 158 | 156.8 | 159.9 | -6 | 116.3 | ||||
| 5 | D | 40 | Very low | 38.5 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 84% | 0.84 | S | S | * | * | 145 | 135.5 | 99.2 | -155.1 | 12.6 | 0 | 0 | 0 | 113.5 | |||||
| 6 | S | 45.1 | Very low | 38.4 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | 158.4 | 109.2 | 140.4 | -80.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 7 | G | 34.5 | Very low | 38.6 | Very low | 71 Ų | 71 | 133.7 Ų | 133.7 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | trans | 56.7 | 148 | 132.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 8 | S | 39.6 | Very low | 38.3 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | cis | -179.6 | 144.4 | -5.5 | 34.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 9 | D | 37.8 | Very low | 38.4 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 78% | 0.775 | 83% | 0.828 | S | S | * | * | trans | -42.6 | 144.6 | 176.9 | -92.4 | -65.8 | 0 | 0 | 0 | 116.9 | ||||
| 10 | H | 39.5 | Very low | 38.9 | Very low | 195 Ų | 195 | 131.1 Ų | 131.1 | 90% | 0.903 | 83% | 0.829 | S | S | * | * | -161.7 | 111.1 | 118.6 | -107.5 | 42.1 | 0 | 0 | 0 | 112.5 | |||||
| 11 | G | 31.8 | Very low | 39.1 | Very low | 70 Ų | 70 | 129.6 Ų | 129.6 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | -69.4 | 136.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 12 | G | 32.1 | Very low | 39.2 | Very low | 80 Ų | 80 | 124.8 Ų | 124.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -81.4 | 124.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 13 | L | 33.6 | Very low | 39.4 | Very low | 169 Ų | 169 | 123 Ų | 123 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -116 | 115.6 | 161.2 | -87.6 | 162 | 0 | 0 | 0 | 109 | ||||
| 14 | A | 38.6 | Very low | 39.4 | Very low | 102 Ų | 102 | 119.9 Ų | 119.9 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -59.4 | 132.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 15 | T | 37.8 | Very low | 39.3 | Very low | 139 Ų | 139 | 117.7 Ų | 117.7 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -115.4 | 125.2 | 166.1 | 46.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 16 | G | 36.2 | Very low | 39.1 | Very low | 66 Ų | 66 | 112.2 Ų | 112.2 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | trans | -70.5 | -179.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G18 | G16-G18 PolarHBondContact O-N 3.2Š| ||
| 17 | P | 41.3 | Very low | 38.9 | Very low | 139 Ų | 139 | 110 Ų | 110 | 90% | 0.903 | 76% | 0.761 | S | S | * | * | trans | -74.9 | 102 | -172.9 | 31.2 | -31.1 | 0 | 0 | 0 | 109.8 | S19 | P17-S19 PolarHBondContact O-N 3Š| ||
| 18 | G | 33.7 | Very low | 39.1 | Very low | 69 Ų | 69 | 110 Ų | 110 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -67.7 | 115 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G16 L20 | G16-G18 PolarHBondContact O-N 3.2Å; G18-L20 PolarHBondContact O-N 3.33Å | ||
| 19 | S | 40.9 | Very low | 39.1 | Very low | 120 Ų | 120 | 106.5 Ų | 106.5 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | trans | -46.8 | 114.8 | 165 | 40.8 | 0 | 0 | 0 | 0 | 111.7 | P17 | P17-S19 PolarHBondContact O-N 3Š| ||
| 20 | L | 47.7 | Very low | 39 | Very low | 160 Ų | 160 | 109.3 Ų | 109.3 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | trans | -62.5 | 139.6 | 171.6 | -75.3 | 151.3 | 0 | 0 | 0 | 110.3 | G18 | G18-L20 PolarHBondContact O-N 3.33Š| ||
| 21 | P | 43.8 | Very low | 39.1 | Very low | 99 Ų | 99 | 106.5 Ų | 106.5 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | trans | -66.3 | 137.3 | 177.3 | 25.9 | -31.5 | 0 | 0 | 0 | 110.8 | G23 | P21-G23 PolarHBondContact O-N 2.98Š| ||
| 22 | P | 43 | Very low | 39.8 | Very low | 145 Ų | 145 | 110.5 Ų | 110.5 | 94% | 0.942 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 78.1 | 178.5 | 31.7 | -32.5 | 0 | 0 | 0 | 109.4 | ||
| 23 | G | 43.7 | Very low | 40.4 | Very low | 55 Ų | 55 | 114.5 Ų | 114.5 | 57% | 0.567 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.5 | -22.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P21 | P21-G23 PolarHBondContact O-N 2.98Š|
| 24 | A | 42.8 | Very low | 41.6 | Very low | 82 Ų | 82 | 112.3 Ų | 112.3 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -82.4 | -22.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G26 | A24-G26 VanDerWaalsContact C-N 3.33Š|
| 25 | M | 42.6 | Very low | 43.4 | Very low | 180 Ų | 180 | 109.8 Ų | 109.8 | 89% | 0.887 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -78.5 | -14.3 | 175.4 | -86.5 | 172.8 | 82 | 0 | 0 | 113.7 | ||
| 26 | G | 36 | Very low | 45.8 | Very low | 35 Ų | 35 | 109.1 Ų | 109.1 | 36% | 0.361 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -81 | -23.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A24 A29 R30 | A24-G26 VanDerWaalsContact C-N 3.33Å; G26-A29 PolarHBondContact O-N 3.06Å; G26-R30 WeakPolarHBondContact O-CB 3.42Å; G26-R30 WeakPolarHBondContact O-CG 3.37Å; G26-R30 PolarHBondContact O-N 2.91Å |
| 27 | A | 39.4 | Very low | 48.5 | Very low | 67 Ų | 67 | 110.7 Ų | 110.7 | 55% | 0.554 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.2 | -34.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 28 | A | 39.4 | Very low | 50.9 | Low | 71 Ų | 71 | 106 Ų | 106 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75.7 | -28.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 29 | A | 38.6 | Very low | 53.8 | Low | 48 Ų | 48 | 103.5 Ų | 103.5 | 40% | 0.397 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -77.7 | -35.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G26 L31 Q32 | G26-A29 PolarHBondContact O-N 3.06Å; A29-L31 VanDerWaalsContact C-N 3.29Å; A29-L31 PolarHBondContact O-N 3.01Å; A29-Q32 PolarHBondContact O-N 3.39Å; A29-Q32 VanDerWaalsContact O-N 3.11Å |
| 30 | R | 37.4 | Very low | 56.4 | Low | 204 Ų | 204 | 100.7 Ų | 100.7 | 77% | 0.77 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.7 | -26.6 | 179.8 | -82.5 | -174.8 | 171.8 | -174.5 | -1.6 | 114.6 | G26 Q32 | G26-R30 WeakPolarHBondContact O-CB 3.42Å; G26-R30 WeakPolarHBondContact O-CG 3.37Å; G26-R30 PolarHBondContact O-N 2.91Å; R30-Q32 VanDerWaalsContact C-N 3.3Å; R30-Q32 PolarHBondContact O-N 3.47Å |
| 31 | L | 41 | Very low | 58.7 | Low | 137 Ų | 137 | 97.9 Ų | 97.9 | 72% | 0.717 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -13.3 | 175.1 | -74.5 | 168.3 | 0 | 0 | 0 | 114 | A29 | A29-L31 VanDerWaalsContact C-N 3.29Å; A29-L31 PolarHBondContact O-N 3.01Å |
| 32 | Q | 45.4 | Very low | 61.2 | Low | 153 Ų | 153 | 98.2 Ų | 98.2 | 72% | 0.715 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -21.5 | 176 | -65.7 | -176.2 | 17.4 | 0 | 0 | 112.5 | A29 R30 D34 | A29-Q32 PolarHBondContact O-N 3.39Å; A29-Q32 VanDerWaalsContact O-N 3.11Å; R30-Q32 VanDerWaalsContact C-N 3.3Å; R30-Q32 PolarHBondContact O-N 3.47Å; Q32-D34 PolarHBondContact O-N 3.4Å |
| 33 | H | 45.5 | Very low | 63.8 | Low | 165 Ų | 165 | 91.3 Ų | 91.3 | 76% | 0.764 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.8 | -176.7 | -82.6 | -77.4 | 0 | 0 | 0 | 115.1 | ||
| 34 | D | 58.9 | Low | 66.2 | Low | 123 Ų | 123 | 92.4 Ų | 92.4 | 66% | 0.658 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 10 | 177.7 | -80.6 | -9.9 | 0 | 0 | 0 | 113.5 | Q32 | Q32-D34 PolarHBondContact O-N 3.4Š|
| 35 | T | 76.2 | Confident | 68.7 | Low | 48 Ų | 48 | 88.8 Ų | 88.8 | 29% | 0.294 | 47% | 0.467 | S | S | . | . | trans | -113.3 | 108 | 178.2 | -55.5 | 0 | 0 | 0 | 0 | 110 | K55 Q56 N57 F62 | T35-K55 HydrophobicContact CG2-CB 3.75Å; T35-K55 HydrophobicContact CG2-CD 3.95Å; T35-K55 HydrophobicContact CG2-CG 4.43Å; T35-Q56 CarbonylContact C-O 3.54Å; T35-Q56 WeakPolarHBondContact CA-O 3.48Å; T35-N57 HydrophobicContact CG2-CB 4.4Å; T35-F62 HydrophobicContact CG2-CE1 3.99Å; T35-F62 HydrophobicContact CG2-CZ 3.8Å | ||
| 36 | E | 87.9 | Confident | 70.9 | Confident | 125 Ų | 125 | 85.5 Ų | 85.5 | 58% | 0.584 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 138.2 | 174.5 | -172.9 | 176.7 | -177.6 | 0 | 0 | 110.1 | L38 K55 Q56 | E36-L38 HydrophobicContact CG-CD2 4.18Å; E36-K55 CarbonylContact O-C 3.54Å; E36-K55 WeakPolarHBondContact O-CA 3.47Å; E36-K55 WeakPolarHBondContact O-CB 3.42Å; E36-Q56 PolarHBondContact N-O 2.89Å; E36-Q56 PolarHBondContact O-N 3.46Å |
| 37 | E | 92.9 | Very high | 73.4 | Confident | 99 Ų | 99 | 87.3 Ų | 87.3 | 46% | 0.463 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.4 | 171.2 | -175.6 | 170.6 | 121 | 0 | 0 | 109 | S40 K55 | E37-S40 WeakPolarHBondContact OE1-CB 3.41Å; E37-K55 HydrophobicContact CB-CG 4.45Å; E37-K55 HydrophobicContact CG-CG 4.41Å; E37-K55 IonicContact OE2-NZ 3.41Å; E37-K55 PolarHBondContact OE2-NZ 3.36Å |
| 38 | L | 91.4 | Very high | 76 | Confident | 42 Ų | 42 | 85.6 Ų | 85.6 | 22% | 0.22 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -37.4 | -177.1 | -59.3 | -179 | 0 | 0 | 0 | 111.9 | E36 V54 Q56 R61 Y183 | E36-L38 HydrophobicContact CG-CD2 4.18Å; L38-V54 HydrophobicContact CB-CG1 4.32Å; L38-V54 HydrophobicContact CD1-CG1 4.23Å; L38-V54 PolarHBondContact N-O 3.32Å; L38-Q56 HydrophobicContact CD1-CB 3.93Å; L38-Q56 HydrophobicContact CD2-CB 4.38Å; L38-Q56 HydrophobicContact CG-CB 4.13Å; L38-R61 HydrophobicContact CD1-CG 4.11Å; L38-Y183 HydrophobicContact CB-CD1 3.98Å; L38-Y183 HydrophobicContact CB-CE1 3.94Å; L38-Y183 HydrophobicContact CD1-CD1 4.26Å; L38-Y183 PolarHBondContact O-OH 2.86Å |
| 39 | A | 94.9 | Very high | 78.7 | Confident | 15 Ų | 15 | 88.3 Ų | 88.3 | 12% | 0.124 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 150.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D53 V54 L179 Y183 | A39-D53 CarbonylContact O-C 3.56Å; A39-D53 WeakPolarHBondContact O-CA 3.45Å; A39-V54 HydrophobicContact CB-CB 4.28Å; A39-V54 PolarHBondContact N-O 3.43Å; A39-V54 PolarHBondContact O-N 2.9Å; A39-L179 HydrophobicContact CB-CD2 3.85Å; A39-Y183 HydrophobicContact CB-CD2 4.01Å; A39-Y183 HydrophobicContact CB-CE1 4.33Å; A39-Y183 HydrophobicContact CB-CE2 3.43Å; A39-Y183 VanDerWaalsContact CB-CE2 3.43Å |
| 40 | S | 95.5 | Very high | 81.5 | Confident | 62 Ų | 62 | 86 Ų | 86 | 43% | 0.434 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.7 | 168.1 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | E37 L52 D53 | E37-S40 WeakPolarHBondContact OE1-CB 3.41Å; S40-L52 WeakPolarHBondContact CA-O 3.45Å; S40-D53 WeakPolarHBondContact CB-OD1 3.35Å; S40-D53 PolarHBondContact OG-OD1 3.35Å |
| 41 | K | 96.8 | Very high | 84.3 | Confident | 101 Ų | 101 | 79.6 Ų | 79.6 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 127 | 174.6 | -177.7 | 64.3 | 175.9 | -177 | 0 | 109.5 | V43 L52 A175 L179 | K41-V43 HydrophobicContact CG-CG2 4.38Å; K41-L52 HydrophobicContact CB-CB 4.4Å; K41-L52 PolarHBondContact N-O 3.31Å; K41-L52 PolarHBondContact O-N 2.85Å; K41-A175 HydrophobicContact CG-CB 3.97Å; K41-L179 HydrophobicContact CB-CD1 4.04Å; K41-L179 HydrophobicContact CB-CD2 4.49Å |
| 42 | R | 96.6 | Very high | 87 | Confident | 106 Ų | 106 | 73 Ų | 73 | 40% | 0.4 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136.4 | 171.8 | -179.2 | 176.4 | 164.7 | -168.3 | -13.5 | 110.4 | D44 F50 Y51 | R42-D44 IonicContact CZ-OD1 2.61Å; R42-D44 IonicContact CZ-OD2 3.59Å; R42-D44 VanDerWaalsContact CZ-OD2 3.31Å; R42-D44 IonicContact NE-OD1 2.81Å; R42-D44 PolarHBondContact NE-OD1 2.94Å; R42-D44 IonicContact NE-OD2 3.62Å; R42-D44 PolarHBondContact NE-OD2 3.38Å; R42-D44 IonicContact NH2-OD1 3.31Å; R42-D44 PolarHBondContact NH2-OD1 3.07Å; R42-D44 IonicContact NH2-OD2 3.95Å; R42-D44 PolarHBondContact NH2-OD2 3.36Å; R42-F50 CarbonylContact C-O 3.43Å; R42-F50 VanDerWaalsContact CA-O 3.31Å; R42-F50 WeakPolarHBondContact CA-O 3.43Å; R42-Y51 HydrophobicContact CB-CD1 4.3Å; R42-Y51 HydrophobicContact CB-CE1 4.34Å; R42-Y51 HydrophobicContact CG-CD1 4.39Å; R42-Y51 HydrophobicContact CG-CE1 4.12Å |
| 43 | V | 96.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119.2 | 175.4 | -172.5 | 0 | 0 | 0 | 0 | 108 | K41 I45 F50 L52 E171 A175 | K41-V43 HydrophobicContact CG-CG2 4.38Å; V43-I45 HydrophobicContact CG1-CD1 3.89Å; V43-I45 HydrophobicContact CG1-CG1 3.8Å; V43-F50 HydrophobicContact CB-CB 4.39Å; V43-F50 PolarHBondContact N-O 3.27Å; V43-F50 PolarHBondContact O-N 2.8Å; V43-L52 HydrophobicContact CG2-CD1 3.98Å; V43-E171 HydrophobicContact CG1-CB 4.3Å; V43-E171 HydrophobicContact CG1-CG 3.82Å; V43-A175 HydrophobicContact CG2-CB 3.72Å |
| 44 | D | 94.9 | Very high | 91.9 | Very high | 78 Ų | 78 | 58.7 Ų | 58.7 | 42% | 0.417 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 114.4 | -178.6 | -74.1 | -20.4 | 0 | 0 | 0 | 109.4 | R42 R49 | R42-D44 IonicContact CZ-OD1 2.61Å; R42-D44 IonicContact CZ-OD2 3.59Å; R42-D44 VanDerWaalsContact CZ-OD2 3.31Å; R42-D44 IonicContact NE-OD1 2.81Å; R42-D44 PolarHBondContact NE-OD1 2.94Å; R42-D44 IonicContact NE-OD2 3.62Å; R42-D44 PolarHBondContact NE-OD2 3.38Å; R42-D44 IonicContact NH2-OD1 3.31Å; R42-D44 PolarHBondContact NH2-OD1 3.07Å; R42-D44 IonicContact NH2-OD2 3.95Å; R42-D44 PolarHBondContact NH2-OD2 3.36Å; D44-R49 WeakPolarHBondContact OD1-CB 3.48Å; D44-R49 VanDerWaalsContact OD1-CG 3.28Å; D44-R49 WeakPolarHBondContact OD1-CG 3.39Å |
| 45 | I | 93.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 113.1 | -175.3 | -52.6 | 169.9 | 0 | 0 | 0 | 108.6 | V43 N47 K48 F50 P165 F172 | V43-I45 HydrophobicContact CG1-CD1 3.89Å; V43-I45 HydrophobicContact CG1-CG1 3.8Å; I45-N47 PolarHBondContact O-N 2.99Å; I45-K48 PolarHBondContact N-O 3.16Å; I45-K48 PolarHBondContact O-N 3.42Å; I45-F50 HydrophobicContact CB-CD2 4.41Å; I45-F50 HydrophobicContact CB-CE2 4.17Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.94Å; I45-F50 HydrophobicContact CG1-CD2 4.21Å; I45-F50 HydrophobicContact CG1-CE2 4.37Å; I45-P165 HydrophobicContact CB-CG 4.45Å; I45-P165 HydrophobicContact CG2-CB 3.72Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; I45-F172 HydrophobicContact CD1-CB 4.36Å; I45-F172 HydrophobicContact CD1-CD2 4.3Å |
| 46 | Q | 89.9 | Confident | 94 | Very high | 110 Ų | 110 | 55.5 Ų | 55.5 | 51% | 0.514 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -117.8 | -174.3 | -58.6 | 178.6 | -13 | 0 | 0 | 111.3 | P165 | Q46-P165 HydrophobicContact CG-CB 4.2Å; Q46-P165 HydrophobicContact CG-CG 4.36Å |
| 47 | N | 88.9 | Confident | 93.6 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 19.5 | 179 | 73.2 | -25.1 | 0 | 0 | 0 | 113.1 | I45 A70 R138 | I45-N47 PolarHBondContact O-N 2.99Å; N47-A70 HydrophobicContact CB-CB 4.07Å; N47-A70 PolarHBondContact O-N 2.9Å; N47-A70 VanDerWaalsContact O-N 3.17Å; N47-R138 PolarHBondContact ND2-NH2 3.22Å; N47-R138 PolarHBondContact OD1-NH2 3.04Å |
| 48 | K | 93.5 | Very high | 92.5 | Very high | 31 Ų | 31 | 51 Ų | 51 | 14% | 0.135 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 146.9 | 178.4 | -60.4 | -171.2 | 178.5 | -165.6 | 0 | 110.7 | I45 F50 E67 V68 A163 P165 | I45-K48 PolarHBondContact N-O 3.16Å; I45-K48 PolarHBondContact O-N 3.42Å; K48-F50 HydrophobicContact CB-CD2 4.44Å; K48-F50 HydrophobicContact CB-CE2 3.71Å; K48-F50 HydrophobicContact CB-CZ 4.17Å; K48-F50 HydrophobicContact CD-CE2 4.3Å; K48-F50 HydrophobicContact CD-CZ 4.01Å; K48-E67 HydrophobicContact CD-CG 4.28Å; K48-E67 WeakPolarHBondContact CD-OE1 3.38Å; K48-E67 VanDerWaalsContact CE-OE1 3.31Å; K48-E67 WeakPolarHBondContact CE-OE1 3.48Å; K48-E67 IonicContact NZ-OE1 3.18Å; K48-E67 PolarHBondContact NZ-OE1 3.25Å; K48-V68 WeakPolarHBondContact CA-O 3.41Å; K48-A163 PolarHBondContact NZ-O 2.96Å; K48-P165 HydrophobicContact CD-CG 4.43Å |
| 49 | R | 95.5 | Very high | 91.3 | Very high | 127 Ų | 127 | 56.3 Ų | 56.3 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.7 | 174.6 | -52 | -178.3 | 174.9 | 163.2 | -0.4 | 108.5 | D44 Y51 V68 | D44-R49 WeakPolarHBondContact OD1-CB 3.48Å; D44-R49 VanDerWaalsContact OD1-CG 3.28Å; D44-R49 WeakPolarHBondContact OD1-CG 3.39Å; R49-Y51 HydrophobicContact CB-CE2 4.04Å; R49-V68 HydrophobicContact CB-CB 4.43Å; R49-V68 PolarHBondContact N-O 3.45Å; R49-V68 PolarHBondContact O-N 3.06Å |
| 50 | F | 97.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 132.2 | 176.4 | -64.1 | -90.8 | 0 | 0 | 0 | 109.4 | R42 V43 I45 K48 L52 I65 A66 E67 L164 F172 | R42-F50 CarbonylContact C-O 3.43Å; R42-F50 VanDerWaalsContact CA-O 3.31Å; R42-F50 WeakPolarHBondContact CA-O 3.43Å; V43-F50 HydrophobicContact CB-CB 4.39Å; V43-F50 PolarHBondContact N-O 3.27Å; V43-F50 PolarHBondContact O-N 2.8Å; I45-F50 HydrophobicContact CB-CD2 4.41Å; I45-F50 HydrophobicContact CB-CE2 4.17Å; I45-F50 HydrophobicContact CD1-CD2 3.84Å; I45-F50 HydrophobicContact CD1-CE2 3.94Å; I45-F50 HydrophobicContact CG1-CD2 4.21Å; I45-F50 HydrophobicContact CG1-CE2 4.37Å; K48-F50 HydrophobicContact CB-CD2 4.44Å; K48-F50 HydrophobicContact CB-CE2 3.71Å; K48-F50 HydrophobicContact CB-CZ 4.17Å; K48-F50 HydrophobicContact CD-CE2 4.3Å; K48-F50 HydrophobicContact CD-CZ 4.01Å; F50-L52 HydrophobicContact CB-CD1 4.11Å; F50-I65 HydrophobicContact CD1-CG2 4.5Å; F50-A66 CarbonylContact C-O 3.59Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.41Å; F50-E67 HydrophobicContact CD1-CB 4.02Å; F50-E67 HydrophobicContact CD1-CG 4.31Å; F50-E67 HydrophobicContact CE1-CB 3.72Å; F50-E67 HydrophobicContact CE1-CG 3.65Å; F50-E67 HydrophobicContact CZ-CG 3.98Å; F50-L164 HydrophobicContact CE1-CD1 3.99Å; F50-L164 HydrophobicContact CE1-CG 3.93Å; F50-L164 HydrophobicContact CZ-CB 4.48Å; F50-L164 HydrophobicContact CZ-CD1 4.41Å; F50-L164 HydrophobicContact CZ-CG 4.01Å; F50-F172 HydrophobicContact CB-CD2 4.34Å; F50-F172 HydrophobicContact CB-CE2 3.91Å; F50-F172 HydrophobicContact CD1-CE2 4.02Å; F50-F172 HydrophobicContact CG-CD2 4.34Å; F50-F172 HydrophobicContact CG-CE2 4.01Å |
| 51 | Y | 97.6 | Very high | 90.1 | Very high | 69 Ų | 69 | 57.7 Ų | 57.7 | 27% | 0.271 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.9 | 173.3 | -60.6 | -95.9 | 0 | 0 | 0 | 108 | R42 R49 I65 A66 V68 | R42-Y51 HydrophobicContact CB-CD1 4.3Å; R42-Y51 HydrophobicContact CB-CE1 4.34Å; R42-Y51 HydrophobicContact CG-CD1 4.39Å; R42-Y51 HydrophobicContact CG-CE1 4.12Å; R49-Y51 HydrophobicContact CB-CE2 4.04Å; Y51-I65 CarbonylContact O-C 3.59Å; Y51-I65 VanDerWaalsContact O-CA 3.3Å; Y51-I65 WeakPolarHBondContact O-CA 3.38Å; Y51-A66 PolarHBondContact N-O 3.09Å; Y51-A66 PolarHBondContact O-N 3.18Å; Y51-V68 HydrophobicContact CD2-CG2 4.17Å; Y51-V68 HydrophobicContact CE2-CG2 3.87Å |
| 52 | L | 97.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 98.5 | 177.2 | -71.4 | 72.7 | 0 | 0 | 0 | 106.9 | S40 K41 V43 F50 L63 I65 F172 A175 L176 L179 | S40-L52 WeakPolarHBondContact CA-O 3.45Å; K41-L52 HydrophobicContact CB-CB 4.4Å; K41-L52 PolarHBondContact N-O 3.31Å; K41-L52 PolarHBondContact O-N 2.85Å; V43-L52 HydrophobicContact CG2-CD1 3.98Å; F50-L52 HydrophobicContact CB-CD1 4.11Å; L52-L63 HydrophobicContact CB-CD1 4.28Å; L52-I65 HydrophobicContact CG-CG1 4.45Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.68Å; L52-F172 HydrophobicContact CD1-CZ 3.98Å; L52-F172 HydrophobicContact CD2-CE1 4.15Å; L52-F172 HydrophobicContact CD2-CE2 4.38Å; L52-F172 HydrophobicContact CD2-CZ 3.99Å; L52-F172 HydrophobicContact CG-CE2 4.29Å; L52-F172 HydrophobicContact CG-CZ 4.07Å; L52-A175 HydrophobicContact CD2-CB 4.4Å; L52-L176 HydrophobicContact CD2-CB 4.34Å; L52-L179 HydrophobicContact CB-CD1 3.66Å; L52-L179 HydrophobicContact CD2-CD1 4.15Å |
| 53 | D | 96.9 | Very high | 89.8 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 116.5 | -178.8 | -50.4 | -33.5 | 0 | 0 | 0 | 109.6 | A39 S40 K55 K64 | A39-D53 CarbonylContact O-C 3.56Å; A39-D53 WeakPolarHBondContact O-CA 3.45Å; S40-D53 WeakPolarHBondContact CB-OD1 3.35Å; S40-D53 PolarHBondContact OG-OD1 3.35Å; D53-K55 HydrophobicContact CB-CD 4.46Å; D53-K55 VanDerWaalsContact CB-CE 3.5Å; D53-K55 HydrophobicContact CB-CG 4.12Å; D53-K55 IonicContact OD2-NZ 3.98Å; D53-K64 HydrophobicContact CB-CB 4.42Å; D53-K64 PolarHBondContact N-O 3.24Å; D53-K64 PolarHBondContact O-N 3.37Å |
| 54 | V | 95.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 119.8 | 167.1 | -177.9 | 0 | 0 | 0 | 0 | 107.5 | L38 A39 R61 L63 L179 Y183 | L38-V54 HydrophobicContact CB-CG1 4.32Å; L38-V54 HydrophobicContact CD1-CG1 4.23Å; L38-V54 PolarHBondContact N-O 3.32Å; A39-V54 HydrophobicContact CB-CB 4.28Å; A39-V54 PolarHBondContact N-O 3.43Å; A39-V54 PolarHBondContact O-N 2.9Å; V54-R61 HydrophobicContact CG1-CG 3.7Å; V54-L63 HydrophobicContact CG2-CD1 3.81Å; V54-L179 HydrophobicContact CG2-CB 4.03Å; V54-L179 HydrophobicContact CG2-CD1 4.19Å; V54-L179 HydrophobicContact CG2-CD2 3.95Å; V54-L179 HydrophobicContact CG2-CG 4.28Å; V54-Y183 HydrophobicContact CG1-CG 4.29Å |
| 55 | K | 93.9 | Very high | 89.8 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 14% | 0.135 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 153.2 | -178.7 | -56.3 | -168.5 | -165.5 | -104.6 | 0 | 110.6 | T35 E36 E37 D53 R61 F62 | T35-K55 HydrophobicContact CG2-CB 3.75Å; T35-K55 HydrophobicContact CG2-CD 3.95Å; T35-K55 HydrophobicContact CG2-CG 4.43Å; E36-K55 CarbonylContact O-C 3.54Å; E36-K55 WeakPolarHBondContact O-CA 3.47Å; E36-K55 WeakPolarHBondContact O-CB 3.42Å; E37-K55 HydrophobicContact CB-CG 4.45Å; E37-K55 HydrophobicContact CG-CG 4.41Å; E37-K55 IonicContact OE2-NZ 3.41Å; E37-K55 PolarHBondContact OE2-NZ 3.36Å; D53-K55 HydrophobicContact CB-CD 4.46Å; D53-K55 VanDerWaalsContact CB-CE 3.5Å; D53-K55 HydrophobicContact CB-CG 4.12Å; D53-K55 IonicContact OD2-NZ 3.98Å; K55-R61 CarbonylContact O-C 3.55Å; K55-R61 WeakPolarHBondContact O-CA 3.11Å; K55-F62 HydrophobicContact CB-CD1 4.46Å; K55-F62 HydrophobicContact CB-CE1 3.82Å; K55-F62 HydrophobicContact CB-CE2 3.95Å; K55-F62 HydrophobicContact CB-CZ 3.57Å; K55-F62 HydrophobicContact CD-CE2 4.43Å; K55-F62 HydrophobicContact CD-CZ 4.28Å; K55-F62 HydrophobicContact CG-CZ 4.43Å; K55-F62 PolarHBondContact N-O 3.16Å; K55-F62 WeakPolarHBondContact O-CD1 3.38Å; K55-F62 PolarHBondContact O-N 3.09Å; K55-F62 VanDerWaalsContact O-O 3.13Å |
| 56 | Q | 86.6 | Confident | 89.9 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.3 | 177.7 | -178.5 | 164.3 | -25.6 | 0 | 0 | 109.4 | T35 E36 L38 | T35-Q56 CarbonylContact C-O 3.54Å; T35-Q56 WeakPolarHBondContact CA-O 3.48Å; E36-Q56 PolarHBondContact N-O 2.89Å; E36-Q56 PolarHBondContact O-N 3.46Å; L38-Q56 HydrophobicContact CD1-CB 3.93Å; L38-Q56 HydrophobicContact CD2-CB 4.38Å; L38-Q56 HydrophobicContact CG-CB 4.13Å |
| 57 | N | 79.6 | Confident | 90.2 | Very high | 43 Ų | 43 | 45 Ų | 45 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | -178.2 | 171.4 | 64.3 | 25.9 | 0 | 0 | 0 | 109.6 | T35 K59 G60 F62 | T35-N57 HydrophobicContact CG2-CB 4.4Å; N57-K59 PolarHBondContact O-N 3.2Å; N57-K59 WeakPolarHBondContact OD1-CA 3.36Å; N57-K59 WeakPolarHBondContact OD1-CB 3.46Å; N57-K59 PolarHBondContact OD1-N 3.29Å; N57-G60 PolarHBondContact N-O 3.38Å; N57-G60 VanDerWaalsContact N-O 3.09Å; N57-G60 PolarHBondContact O-N 2.91Å; N57-G60 PolarHBondContact OD1-N 3.04Å; N57-G60 PolarHBondContact OD1-O 3.48Å; N57-F62 HydrophobicContact CB-CE1 4.19Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.48Å |
| 58 | A | 68.8 | Low | 90.4 | Very high | 85 Ų | 85 | 43.2 Ų | 43.2 | 70% | 0.702 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -11.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 59 | K | 66.4 | Low | 90.2 | Very high | 155 Ų | 155 | 42.4 Ų | 42.4 | 67% | 0.674 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -8.5 | 174.9 | -50.9 | -173.9 | 176.1 | 175.8 | 0 | 113.1 | N57 K213 | N57-K59 PolarHBondContact O-N 3.2Å; N57-K59 WeakPolarHBondContact OD1-CA 3.36Å; N57-K59 WeakPolarHBondContact OD1-CB 3.46Å; N57-K59 PolarHBondContact OD1-N 3.29Å; K59-K213 HydrophobicContact CB-CD 4.18Å; K59-K213 HydrophobicContact CG-CD 3.74Å |
| 60 | G | 77.3 | Confident | 89.1 | Confident | 35 Ų | 35 | 40 Ų | 40 | 36% | 0.361 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 118.5 | -172.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N57 | N57-G60 PolarHBondContact N-O 3.38Å; N57-G60 VanDerWaalsContact N-O 3.09Å; N57-G60 PolarHBondContact O-N 2.91Å; N57-G60 PolarHBondContact OD1-N 3.04Å; N57-G60 PolarHBondContact OD1-O 3.48Å |
| 61 | R | 87.9 | Confident | 88 | Confident | 71 Ų | 71 | 43.4 Ų | 43.4 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 142.8 | -179.4 | -166.1 | 177.6 | -69 | 164.4 | -1.4 | 110.9 | L38 V54 K55 M81 Y183 G184 V185 | L38-R61 HydrophobicContact CD1-CG 4.11Å; V54-R61 HydrophobicContact CG1-CG 3.7Å; K55-R61 CarbonylContact O-C 3.55Å; K55-R61 WeakPolarHBondContact O-CA 3.11Å; R61-M81 HydrophobicContact CB-CG 4.08Å; R61-M81 HydrophobicContact CG-CG 4Å; R61-M81 HydrophobicContact CG-SD 4.34Å; R61-Y183 WeakPolarHBondContact CD-O 3.43Å; R61-Y183 VanDerWaalsContact NH1-C 3.29Å; R61-Y183 PolarHBondContact NH1-O 3.31Å; R61-G184 PolarHBondContact NH1-O 2.82Å; R61-V185 HydrophobicContact CB-CG2 3.84Å |
| 62 | F | 92.1 | Very high | 86.9 | Confident | 34 Ų | 34 | 42.5 Ų | 42.5 | 15% | 0.149 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 157.2 | -179.5 | 67.6 | -87.1 | 0 | 0 | 0 | 111 | T35 K55 N57 K64 T78 L79 | T35-F62 HydrophobicContact CG2-CE1 3.99Å; T35-F62 HydrophobicContact CG2-CZ 3.8Å; K55-F62 HydrophobicContact CB-CD1 4.46Å; K55-F62 HydrophobicContact CB-CE1 3.82Å; K55-F62 HydrophobicContact CB-CE2 3.95Å; K55-F62 HydrophobicContact CB-CZ 3.57Å; K55-F62 HydrophobicContact CD-CE2 4.43Å; K55-F62 HydrophobicContact CD-CZ 4.28Å; K55-F62 HydrophobicContact CG-CZ 4.43Å; K55-F62 PolarHBondContact N-O 3.16Å; K55-F62 WeakPolarHBondContact O-CD1 3.38Å; K55-F62 PolarHBondContact O-N 3.09Å; K55-F62 VanDerWaalsContact O-O 3.13Å; N57-F62 HydrophobicContact CB-CE1 4.19Å; N57-F62 WeakPolarHBondContact ND2-CE1 3.48Å; F62-K64 HydrophobicContact CE2-CB 4.35Å; F62-T78 HydrophobicContact CD2-CG2 3.6Å; F62-T78 HydrophobicContact CE2-CG2 4.04Å; F62-T78 HydrophobicContact CG-CG2 4.48Å; F62-L79 WeakPolarHBondContact CB-O 3.43Å |
| 63 | L | 94.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 129.3 | 176.6 | -176.4 | 72.2 | 0 | 0 | 0 | 110 | L52 V54 I65 T78 L79 M81 A84 L176 L179 | L52-L63 HydrophobicContact CB-CD1 4.28Å; V54-L63 HydrophobicContact CG2-CD1 3.81Å; L63-I65 HydrophobicContact CD2-CD1 4.11Å; L63-I65 HydrophobicContact CD2-CG1 4.01Å; L63-I65 HydrophobicContact CG-CG1 4.18Å; L63-T78 WeakPolarHBondContact O-CA 3.14Å; L63-L79 HydrophobicContact CB-CB 4.49Å; L63-L79 PolarHBondContact N-O 3.05Å; L63-L79 PolarHBondContact O-N 3.46Å; L63-M81 HydrophobicContact CB-SD 4.36Å; L63-A84 HydrophobicContact CD2-CB 4.17Å; L63-L176 HydrophobicContact CD2-CD1 3.29Å; L63-L179 HydrophobicContact CD1-CD1 4.2Å |
| 64 | K | 96 | Very high | 86 | Confident | 59 Ų | 59 | 55.7 Ų | 55.7 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.2 | 172.1 | -174.5 | -173.1 | 176.6 | -166.7 | 0 | 109.3 | D53 F62 | D53-K64 HydrophobicContact CB-CB 4.42Å; D53-K64 PolarHBondContact N-O 3.24Å; D53-K64 PolarHBondContact O-N 3.37Å; F62-K64 HydrophobicContact CE2-CB 4.35Å |
| 65 | I | 96.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 120.9 | 176.1 | -56.7 | 163.3 | 0 | 0 | 0 | 107.8 | F50 Y51 L52 L63 R76 L77 L79 F87 I162 F172 | F50-I65 HydrophobicContact CD1-CG2 4.5Å; Y51-I65 CarbonylContact O-C 3.59Å; Y51-I65 VanDerWaalsContact O-CA 3.3Å; Y51-I65 WeakPolarHBondContact O-CA 3.38Å; L52-I65 HydrophobicContact CG-CG1 4.45Å; L63-I65 HydrophobicContact CD2-CD1 4.11Å; L63-I65 HydrophobicContact CD2-CG1 4.01Å; L63-I65 HydrophobicContact CG-CG1 4.18Å; I65-R76 CarbonylContact O-C 3.57Å; I65-R76 VanDerWaalsContact O-CA 3.24Å; I65-R76 WeakPolarHBondContact O-CA 3.45Å; I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.43Å; I65-L77 PolarHBondContact N-O 3.46Å; I65-L77 PolarHBondContact O-N 3.07Å; I65-L79 HydrophobicContact CD1-CD1 3.73Å; I65-L79 HydrophobicContact CD1-CG 4.38Å; I65-F87 HydrophobicContact CD1-CE1 4.19Å; I65-I162 HydrophobicContact CB-CD1 4.37Å; I65-I162 HydrophobicContact CG2-CD1 3.72Å; I65-F172 HydrophobicContact CD1-CE1 4.45Å; I65-F172 HydrophobicContact CD1-CZ 4.06Å; I65-F172 HydrophobicContact CG1-CZ 4.35Å; I65-F172 HydrophobicContact CG2-CE2 4.23Å; I65-F172 HydrophobicContact CG2-CZ 3.85Å |
| 66 | A | 95.9 | Very high | 85.7 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F50 Y51 S75 | F50-A66 CarbonylContact C-O 3.59Å; F50-A66 VanDerWaalsContact CA-O 3.25Å; F50-A66 WeakPolarHBondContact CA-O 3.41Å; Y51-A66 PolarHBondContact N-O 3.09Å; Y51-A66 PolarHBondContact O-N 3.18Å; A66-S75 CarbonylContact C-O 3.58Å; A66-S75 WeakPolarHBondContact CA-O 3.32Å |
| 67 | E | 94.9 | Very high | 86.1 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 9% | 0.089 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.4 | 169.8 | 177.7 | -174.4 | 158.5 | 0 | 0 | 108.9 | K48 F50 K74 S75 I162 A163 | K48-E67 HydrophobicContact CD-CG 4.28Å; K48-E67 WeakPolarHBondContact CD-OE1 3.38Å; K48-E67 VanDerWaalsContact CE-OE1 3.31Å; K48-E67 WeakPolarHBondContact CE-OE1 3.48Å; K48-E67 IonicContact NZ-OE1 3.18Å; K48-E67 PolarHBondContact NZ-OE1 3.25Å; F50-E67 HydrophobicContact CD1-CB 4.02Å; F50-E67 HydrophobicContact CD1-CG 4.31Å; F50-E67 HydrophobicContact CE1-CB 3.72Å; F50-E67 HydrophobicContact CE1-CG 3.65Å; F50-E67 HydrophobicContact CZ-CG 3.98Å; E67-K74 VanDerWaalsContact O-CA 3.32Å; E67-K74 WeakPolarHBondContact O-CA 3.36Å; E67-S75 PolarHBondContact N-O 3.42Å; E67-S75 PolarHBondContact O-N 3.13Å; E67-I162 HydrophobicContact CB-CB 4.39Å; E67-I162 HydrophobicContact CB-CG2 4.02Å; E67-I162 WeakPolarHBondContact OE2-CA 3.36Å; E67-I162 WeakPolarHBondContact OE2-CB 3.46Å; E67-A163 PolarHBondContact OE2-N 3.43Å |
| 68 | V | 94.4 | Very high | 86.6 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 22% | 0.218 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 111 | 170.7 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | K48 R49 Y51 K74 | K48-V68 WeakPolarHBondContact CA-O 3.41Å; R49-V68 HydrophobicContact CB-CB 4.43Å; R49-V68 PolarHBondContact N-O 3.45Å; R49-V68 PolarHBondContact O-N 3.06Å; Y51-V68 HydrophobicContact CD2-CG2 4.17Å; Y51-V68 HydrophobicContact CE2-CG2 3.87Å; V68-K74 HydrophobicContact CG2-CG 4.33Å |
| 69 | G | 87.9 | Confident | 87.7 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 14% | 0.144 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 161.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G71 G72 N73 | G69-G71 PolarHBondContact O-N 2.96Å; G69-G71 VanDerWaalsContact O-N 3.09Å; G69-G72 PolarHBondContact O-N 2.95Å; G69-N73 PolarHBondContact N-O 3.47Å |
| 70 | A | 73 | Confident | 88.9 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115 | N47 G72 | N47-A70 HydrophobicContact CB-CB 4.07Å; N47-A70 PolarHBondContact O-N 2.9Å; N47-A70 VanDerWaalsContact O-N 3.17Å; A70-G72 VanDerWaalsContact C-N 3.31Å; A70-G72 PolarHBondContact O-N 3Å |
| 71 | G | 74.1 | Confident | 89.5 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 72% | 0.722 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 12.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | G69 N73 | G69-G71 PolarHBondContact O-N 2.96Å; G69-G71 VanDerWaalsContact O-N 3.09Å; G71-N73 PolarHBondContact O-N 3.31Å |
| 72 | G | 75.5 | Confident | 89.5 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 77.9 | -3.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G69 A70 K74 | G69-G72 PolarHBondContact O-N 2.95Å; A70-G72 VanDerWaalsContact C-N 3.31Å; A70-G72 PolarHBondContact O-N 3Å; G72-K74 PolarHBondContact O-N 3.45Å |
| 73 | N | 84.2 | Confident | 89.4 | Confident | 124 Ų | 124 | 46.2 Ų | 46.2 | 66% | 0.663 | 28% | 0.283 | S | S | * | . | trans | -61.9 | 123.6 | 173.4 | -69.9 | -20 | 0 | 0 | 0 | 109.9 | G69 G71 | G69-N73 PolarHBondContact N-O 3.47Å; G71-N73 PolarHBondContact O-N 3.31Å | ||
| 74 | K | 89.9 | Confident | 89.4 | Confident | 170 Ų | 170 | 46.1 Ų | 46.1 | 74% | 0.739 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.3 | 176.9 | -62 | -178.1 | -174.9 | 176.8 | 0 | 109.1 | E67 V68 G72 | E67-K74 VanDerWaalsContact O-CA 3.32Å; E67-K74 WeakPolarHBondContact O-CA 3.36Å; V68-K74 HydrophobicContact CG2-CG 4.33Å; G72-K74 PolarHBondContact O-N 3.45Å |
| 75 | S | 91.8 | Very high | 89.2 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 33% | 0.329 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 153.3 | 172.4 | -57.9 | 0 | 0 | 0 | 0 | 109 | A66 E67 T161 | A66-S75 CarbonylContact C-O 3.58Å; A66-S75 WeakPolarHBondContact CA-O 3.32Å; E67-S75 PolarHBondContact N-O 3.42Å; E67-S75 PolarHBondContact O-N 3.13Å; S75-T161 WeakPolarHBondContact CB-O 3.41Å |
| 76 | R | 92.5 | Very high | 89 | Confident | 141 Ų | 141 | 49 Ų | 49 | 53% | 0.532 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 150 | -178.3 | 73.6 | 179.5 | -175.8 | -176.6 | 0.2 | 110.9 | I65 Q160 | I65-R76 CarbonylContact O-C 3.57Å; I65-R76 VanDerWaalsContact O-CA 3.24Å; I65-R76 WeakPolarHBondContact O-CA 3.45Å; R76-Q160 VanDerWaalsContact O-CB 3.3Å; R76-Q160 WeakPolarHBondContact O-CB 3.36Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å |
| 77 | L | 93.4 | Very high | 89 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 143.5 | 172.6 | -175.9 | 64.6 | 0 | 0 | 0 | 108.1 | I65 L79 Y129 I144 Q146 Q160 I162 | I65-L77 HydrophobicContact CB-CB 4.38Å; I65-L77 HydrophobicContact CD1-CD2 4.43Å; I65-L77 PolarHBondContact N-O 3.46Å; I65-L77 PolarHBondContact O-N 3.07Å; L77-L79 HydrophobicContact CD1-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD2 3.76Å; L77-L79 HydrophobicContact CG-CG 4.29Å; L77-Y129 HydrophobicContact CD1-CD1 4.32Å; L77-Y129 HydrophobicContact CD1-CE1 4.1Å; L77-I144 HydrophobicContact CD2-CB 4.44Å; L77-I144 HydrophobicContact CD2-CG2 3.65Å; L77-Q146 HydrophobicContact CD1-CB 3.55Å; L77-Q146 HydrophobicContact CD1-CG 4.39Å; L77-Q160 HydrophobicContact CD1-CB 4.33Å; L77-I162 HydrophobicContact CB-CD1 4.16Å; L77-I162 HydrophobicContact CB-CG2 4.24Å; L77-I162 HydrophobicContact CD2-CD1 3.8Å; L77-I162 HydrophobicContact CD2-CG1 4.17Å |
| 78 | T | 91.4 | Very high | 89 | Confident | 40 Ų | 40 | 50.8 Ų | 50.8 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.9 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 109.3 | F62 L63 Y129 Q146 | F62-T78 HydrophobicContact CD2-CG2 3.6Å; F62-T78 HydrophobicContact CE2-CG2 4.04Å; F62-T78 HydrophobicContact CG-CG2 4.48Å; L63-T78 WeakPolarHBondContact O-CA 3.14Å; T78-Y129 PolarHBondContact O-OH 2.9Å; T78-Q146 PolarHBondContact O-OE1 3.07Å; T78-Q146 VanDerWaalsContact O-OE1 3.13Å |
| 79 | L | 91.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144.6 | -174.7 | -52 | -177.3 | 0 | 0 | 0 | 109.6 | F62 L63 I65 L77 V83 F87 Y129 | F62-L79 WeakPolarHBondContact CB-O 3.43Å; L63-L79 HydrophobicContact CB-CB 4.49Å; L63-L79 PolarHBondContact N-O 3.05Å; L63-L79 PolarHBondContact O-N 3.46Å; I65-L79 HydrophobicContact CD1-CD1 3.73Å; I65-L79 HydrophobicContact CD1-CG 4.38Å; L77-L79 HydrophobicContact CD1-CD2 4.24Å; L77-L79 HydrophobicContact CD2-CD2 3.89Å; L77-L79 HydrophobicContact CD2-CG 4.4Å; L77-L79 HydrophobicContact CG-CD2 3.76Å; L77-L79 HydrophobicContact CG-CG 4.29Å; L79-V83 HydrophobicContact CB-CB 4.46Å; L79-V83 HydrophobicContact CB-CG1 4.12Å; L79-V83 HydrophobicContact CD1-CG1 4.48Å; L79-V83 HydrophobicContact CD2-CG1 3.87Å; L79-V83 HydrophobicContact CG-CG1 4.38Å; L79-F87 HydrophobicContact CD1-CD1 3.8Å; L79-F87 HydrophobicContact CD1-CE1 4.42Å; L79-F87 HydrophobicContact CD1-CG 4.38Å; L79-Y129 HydrophobicContact CD2-CD1 3.84Å; L79-Y129 HydrophobicContact CD2-CE1 3.23Å |
| 80 | S | 90.4 | Very high | 89.5 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 32% | 0.315 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 159.7 | 160.3 | 62.6 | 0 | 0 | 0 | 0 | 109.4 | S82 V83 A84 | S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 3.42Å; S80-S82 PolarHBondContact OG-OG 3.2Å; S80-V83 PolarHBondContact O-N 3.45Å; S80-V83 WeakPolarHBondContact OG-CB 3.49Å; S80-V83 VanDerWaalsContact OG-CG2 3.25Å; S80-V83 WeakPolarHBondContact OG-CG2 3.42Å; S80-V83 PolarHBondContact OG-N 3.47Å; S80-A84 PolarHBondContact O-N 3.15Å |
| 81 | M | 90.2 | Very high | 90.6 | Very high | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.059 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 175.7 | -69.8 | -54.6 | -62.4 | 0 | 0 | 111.9 | R61 L63 V83 A84 V85 I180 V185 | R61-M81 HydrophobicContact CB-CG 4.08Å; R61-M81 HydrophobicContact CG-CG 4Å; R61-M81 HydrophobicContact CG-SD 4.34Å; L63-M81 HydrophobicContact CB-SD 4.36Å; M81-V83 VanDerWaalsContact C-N 3.34Å; M81-V83 PolarHBondContact O-N 3.2Å; M81-A84 WeakPolarHBondContact O-CA 3.48Å; M81-A84 VanDerWaalsContact O-CB 3.31Å; M81-A84 WeakPolarHBondContact O-CB 3.49Å; M81-A84 PolarHBondContact O-N 2.97Å; M81-V85 PolarHBondContact O-N 2.82Å; M81-V85 VanDerWaalsContact O-N 3.12Å; M81-I180 HydrophobicContact CE-CG1 4.19Å; M81-V185 HydrophobicContact CB-CG2 4.18Å; M81-V185 HydrophobicContact CG-CG2 4.05Å |
| 82 | S | 87.9 | Confident | 91.6 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 174.6 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | S80 A84 V85 E86 | S80-S82 VanDerWaalsContact C-N 3.28Å; S80-S82 PolarHBondContact O-N 3.42Å; S80-S82 PolarHBondContact OG-OG 3.2Å; S82-A84 VanDerWaalsContact C-N 3.28Å; S82-A84 PolarHBondContact O-N 3.29Å; S82-V85 PolarHBondContact O-N 2.91Å; S82-E86 PolarHBondContact O-N 3.36Å |
| 83 | V | 91.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.1 | -31.2 | 177.6 | 166.5 | 0 | 0 | 0 | 0 | 111 | L79 S80 M81 V85 F87 L122 R124 Y129 | L79-V83 HydrophobicContact CB-CB 4.46Å; L79-V83 HydrophobicContact CB-CG1 4.12Å; L79-V83 HydrophobicContact CD1-CG1 4.48Å; L79-V83 HydrophobicContact CD2-CG1 3.87Å; L79-V83 HydrophobicContact CG-CG1 4.38Å; S80-V83 PolarHBondContact O-N 3.45Å; S80-V83 WeakPolarHBondContact OG-CB 3.49Å; S80-V83 VanDerWaalsContact OG-CG2 3.25Å; S80-V83 WeakPolarHBondContact OG-CG2 3.42Å; S80-V83 PolarHBondContact OG-N 3.47Å; M81-V83 VanDerWaalsContact C-N 3.34Å; M81-V83 PolarHBondContact O-N 3.2Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V83-F87 WeakPolarHBondContact O-CB 3.43Å; V83-F87 PolarHBondContact O-N 2.81Å; V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.74Å; V83-L122 HydrophobicContact CG2-CD2 4.22Å; V83-R124 HydrophobicContact CG2-CB 3.67Å; V83-R124 HydrophobicContact CG2-CG 3.74Å; V83-Y129 HydrophobicContact CG1-CD2 4.28Å; V83-Y129 HydrophobicContact CG1-CE2 3.99Å; V83-Y129 HydrophobicContact CG2-CE2 4.32Å |
| 84 | A | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -36.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L63 S80 M81 S82 F87 R88 L176 I180 | L63-A84 HydrophobicContact CD2-CB 4.17Å; S80-A84 PolarHBondContact O-N 3.15Å; M81-A84 WeakPolarHBondContact O-CA 3.48Å; M81-A84 VanDerWaalsContact O-CB 3.31Å; M81-A84 WeakPolarHBondContact O-CB 3.49Å; M81-A84 PolarHBondContact O-N 2.97Å; S82-A84 VanDerWaalsContact C-N 3.28Å; S82-A84 PolarHBondContact O-N 3.29Å; A84-F87 PolarHBondContact O-N 2.94Å; A84-R88 PolarHBondContact O-N 2.89Å; A84-L176 HydrophobicContact CB-CD1 4.29Å; A84-I180 HydrophobicContact CB-CD1 4.22Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.17Å |
| 85 | V | 92 | Very high | 93.5 | Very high | 51 Ų | 51 | 36 Ų | 36 | 31% | 0.309 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62 | -55.3 | 174.2 | -179.7 | 0 | 0 | 0 | 0 | 110.8 | M81 S82 V83 F87 R88 D89 I180 | M81-V85 PolarHBondContact O-N 2.82Å; M81-V85 VanDerWaalsContact O-N 3.12Å; S82-V85 PolarHBondContact O-N 2.91Å; V83-V85 VanDerWaalsContact C-N 3.34Å; V85-F87 PolarHBondContact O-N 3.34Å; V85-R88 WeakPolarHBondContact O-CB 3.3Å; V85-R88 PolarHBondContact O-N 2.93Å; V85-D89 PolarHBondContact O-N 3.2Å; V85-D89 VanDerWaalsContact O-N 3.15Å; V85-I180 HydrophobicContact CG2-CD1 4.39Å; V85-I180 HydrophobicContact CG2-CG2 3.82Å |
| 86 | E | 93.3 | Very high | 93.7 | Very high | 68 Ų | 68 | 39.8 Ų | 39.8 | 32% | 0.318 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.3 | -39.8 | 178.3 | -63.5 | -179.6 | -102 | 0 | 0 | 111 | S82 R88 D89 Y90 L122 | S82-E86 PolarHBondContact O-N 3.36Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 2.64Å; E86-D89 PolarHBondContact O-N 3.36Å; E86-Y90 HydrophobicContact CB-CE2 4.48Å; E86-Y90 WeakPolarHBondContact O-CD2 3.2Å; E86-Y90 PolarHBondContact O-N 2.76Å; E86-L122 HydrophobicContact CB-CD2 3.95Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.5Å |
| 87 | F | 94.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -37.6 | 176.6 | 179.1 | -129.1 | 0 | 0 | 0 | 112.8 | I65 L79 V83 A84 V85 D89 Y90 L91 M131 I144 F172 L176 | I65-F87 HydrophobicContact CD1-CE1 4.19Å; L79-F87 HydrophobicContact CD1-CD1 3.8Å; L79-F87 HydrophobicContact CD1-CE1 4.42Å; L79-F87 HydrophobicContact CD1-CG 4.38Å; V83-F87 WeakPolarHBondContact O-CB 3.43Å; V83-F87 PolarHBondContact O-N 2.81Å; A84-F87 PolarHBondContact O-N 2.94Å; V85-F87 PolarHBondContact O-N 3.34Å; F87-D89 VanDerWaalsContact C-N 3.32Å; F87-Y90 PolarHBondContact O-N 3.09Å; F87-L91 HydrophobicContact CD1-CD1 4.39Å; F87-L91 HydrophobicContact CD2-CG 4.34Å; F87-L91 HydrophobicContact CE1-CD1 3.95Å; F87-L91 HydrophobicContact CE1-CG 4.49Å; F87-L91 HydrophobicContact CE2-CD1 4.25Å; F87-L91 HydrophobicContact CE2-CD2 3.97Å; F87-L91 HydrophobicContact CE2-CG 3.89Å; F87-L91 HydrophobicContact CZ-CD1 3.83Å; F87-L91 HydrophobicContact CZ-CD2 3.95Å; F87-L91 HydrophobicContact CZ-CG 3.95Å; F87-L91 VanDerWaalsContact O-CG 3.32Å; F87-L91 WeakPolarHBondContact O-CG 3.27Å; F87-L91 PolarHBondContact O-N 3.36Å; F87-M131 HydrophobicContact CD2-SD 3.63Å; F87-M131 HydrophobicContact CE2-SD 3.91Å; F87-I144 HydrophobicContact CE1-CD1 4.38Å; F87-I144 HydrophobicContact CE2-CD1 3.6Å; F87-I144 HydrophobicContact CE2-CG1 4.16Å; F87-I144 HydrophobicContact CZ-CD1 3.31Å; F87-I144 HydrophobicContact CZ-CG1 4.33Å; F87-F172 AromaticContact CE1-CE1 3.88Å; F87-F172 HydrophobicContact CE1-CE1 3.88Å; F87-F172 HydrophobicContact CZ-CE1 4.38Å; F87-L176 HydrophobicContact CD1-CD2 3.61Å; F87-L176 HydrophobicContact CE1-CD2 4.06Å; F87-L176 HydrophobicContact CG-CD2 4.45Å |
| 88 | R | 96.1 | Very high | 93.7 | Very high | 71 Ų | 71 | 38.2 Ų | 38.2 | 27% | 0.268 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 173.4 | -177.5 | -79.1 | -55.3 | -102 | 3.4 | 111.1 | A84 V85 E86 L91 G92 R173 L176 A177 I180 | A84-R88 PolarHBondContact O-N 2.89Å; V85-R88 WeakPolarHBondContact O-CB 3.3Å; V85-R88 PolarHBondContact O-N 2.93Å; E86-R88 VanDerWaalsContact C-N 3.34Å; E86-R88 PolarHBondContact O-N 2.64Å; R88-L91 WeakPolarHBondContact O-CB 3.43Å; R88-L91 PolarHBondContact O-N 3.3Å; R88-G92 PolarHBondContact O-N 2.8Å; R88-R173 HydrophobicContact CG-CG 4.15Å; R88-L176 HydrophobicContact CB-CD2 3.89Å; R88-L176 HydrophobicContact CB-CG 4.24Å; R88-A177 HydrophobicContact CG-CB 4.09Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.42Å |
| 89 | D | 95.1 | Very high | 93.8 | Very high | 77 Ų | 77 | 40.3 Ų | 40.3 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.4 | -47.4 | -179.9 | -59.1 | -22.3 | 0 | 0 | 0 | 110.7 | V85 E86 F87 L91 G92 D93 | V85-D89 PolarHBondContact O-N 3.2Å; V85-D89 VanDerWaalsContact O-N 3.15Å; E86-D89 PolarHBondContact O-N 3.36Å; F87-D89 VanDerWaalsContact C-N 3.32Å; D89-L91 VanDerWaalsContact C-N 3.28Å; D89-L91 PolarHBondContact O-N 2.96Å; D89-G92 WeakPolarHBondContact O-CA 3.22Å; D89-G92 PolarHBondContact O-N 2.95Å; D89-D93 PolarHBondContact O-N 2.9Å |
| 90 | Y | 96.1 | Very high | 93.8 | Very high | 54 Ų | 54 | 47.4 Ų | 47.4 | 21% | 0.212 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.1 | -36.5 | 174.4 | -76.8 | -61.3 | 0 | 0 | 0 | 113.1 | E86 F87 G92 D93 F94 E120 L122 M131 | E86-Y90 HydrophobicContact CB-CE2 4.48Å; E86-Y90 WeakPolarHBondContact O-CD2 3.2Å; E86-Y90 PolarHBondContact O-N 2.76Å; F87-Y90 PolarHBondContact O-N 3.09Å; Y90-G92 PolarHBondContact O-N 3.44Å; Y90-D93 PolarHBondContact O-N 2.88Å; Y90-F94 WeakPolarHBondContact O-CD2 3.2Å; Y90-F94 PolarHBondContact O-N 3.13Å; Y90-E120 HydrophobicContact CD1-CB 4.07Å; Y90-E120 HydrophobicContact CD1-CG 3.94Å; Y90-E120 HydrophobicContact CE1-CB 4.13Å; Y90-E120 HydrophobicContact CE1-CG 4.1Å; Y90-L122 HydrophobicContact CE2-CB 4.35Å; Y90-M131 HydrophobicContact CD1-CE 4.4Å; Y90-M131 HydrophobicContact CD2-CE 3.6Å; Y90-M131 HydrophobicContact CD2-SD 4.47Å; Y90-M131 HydrophobicContact CE2-CE 4.05Å; Y90-M131 HydrophobicContact CG-CE 3.8Å; Y90-M131 HydrophobicContact CG-SD 4.46Å |
| 91 | L | 96.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.5 | -37.6 | 173.4 | -75.4 | 173 | 0 | 0 | 0 | 111.4 | F87 R88 D89 F94 I95 L142 L169 F172 R173 L176 | F87-L91 HydrophobicContact CD1-CD1 4.39Å; F87-L91 HydrophobicContact CD2-CG 4.34Å; F87-L91 HydrophobicContact CE1-CD1 3.95Å; F87-L91 HydrophobicContact CE1-CG 4.49Å; F87-L91 HydrophobicContact CE2-CD1 4.25Å; F87-L91 HydrophobicContact CE2-CD2 3.97Å; F87-L91 HydrophobicContact CE2-CG 3.89Å; F87-L91 HydrophobicContact CZ-CD1 3.83Å; F87-L91 HydrophobicContact CZ-CD2 3.95Å; F87-L91 HydrophobicContact CZ-CG 3.95Å; F87-L91 VanDerWaalsContact O-CG 3.32Å; F87-L91 WeakPolarHBondContact O-CG 3.27Å; F87-L91 PolarHBondContact O-N 3.36Å; R88-L91 WeakPolarHBondContact O-CB 3.43Å; R88-L91 PolarHBondContact O-N 3.3Å; D89-L91 VanDerWaalsContact C-N 3.28Å; D89-L91 PolarHBondContact O-N 2.96Å; L91-F94 PolarHBondContact O-N 3.31Å; L91-I95 WeakPolarHBondContact O-CB 3.43Å; L91-I95 VanDerWaalsContact O-CD1 3.26Å; L91-I95 WeakPolarHBondContact O-CD1 3.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.1Å; L91-I95 PolarHBondContact O-N 2.78Å; L91-L142 HydrophobicContact CD2-CD2 3.6Å; L91-L169 HydrophobicContact CD2-CD2 3.85Å; L91-F172 HydrophobicContact CD1-CD1 3.85Å; L91-F172 HydrophobicContact CD1-CE1 4.38Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.2Å; L91-R173 HydrophobicContact CD1-CB 4.24Å; L91-L176 HydrophobicContact CD1-CD2 4.05Å |
| 92 | G | 95.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.4 | -52.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R88 D89 Y90 F94 I95 E96 | R88-G92 PolarHBondContact O-N 2.8Å; D89-G92 WeakPolarHBondContact O-CA 3.22Å; D89-G92 PolarHBondContact O-N 2.95Å; Y90-G92 PolarHBondContact O-N 3.44Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.04Å; G92-I95 WeakPolarHBondContact O-CB 3.25Å; G92-I95 PolarHBondContact O-N 2.98Å; G92-E96 PolarHBondContact O-N 2.87Å |
| 93 | D | 96.3 | Very high | 92.5 | Very high | 67 Ų | 67 | 53.3 Ų | 53.3 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.8 | -33.2 | 179.7 | -60.2 | -20.1 | 0 | 0 | 0 | 113.2 | D89 Y90 H97 K118 | D89-D93 PolarHBondContact O-N 2.9Å; Y90-D93 PolarHBondContact O-N 2.88Å; D93-H97 WeakPolarHBondContact O-CB 3.16Å; D93-H97 PolarHBondContact O-N 2.81Å; D93-K118 PolarHBondContact O-NZ 2.7Å |
| 94 | F | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.3 | -37.1 | 174.9 | -79.9 | -67.3 | 0 | 0 | 0 | 112.1 | Y90 L91 G92 Y98 K118 E120 M131 L133 L142 | Y90-F94 WeakPolarHBondContact O-CD2 3.2Å; Y90-F94 PolarHBondContact O-N 3.13Å; L91-F94 PolarHBondContact O-N 3.31Å; G92-F94 VanDerWaalsContact C-N 3.27Å; G92-F94 PolarHBondContact O-N 3.04Å; F94-Y98 VanDerWaalsContact O-CB 3.23Å; F94-Y98 WeakPolarHBondContact O-CB 3.11Å; F94-Y98 PolarHBondContact O-N 2.88Å; F94-K118 HydrophobicContact CD1-CB 4.17Å; F94-K118 HydrophobicContact CD1-CD 3.85Å; F94-K118 HydrophobicContact CD1-CG 4.04Å; F94-K118 HydrophobicContact CE1-CB 3.8Å; F94-K118 HydrophobicContact CE1-CD 3.9Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.39Å; F94-E120 HydrophobicContact CE2-CB 4.06Å; F94-E120 HydrophobicContact CE2-CG 4.05Å; F94-E120 HydrophobicContact CZ-CB 3.85Å; F94-E120 HydrophobicContact CZ-CG 3.77Å; F94-M131 HydrophobicContact CE2-CB 3.74Å; F94-M131 HydrophobicContact CE2-SD 4.36Å; F94-M131 HydrophobicContact CZ-CB 3.82Å; F94-M131 WeakPolarHBondContact CZ-O 3.27Å; F94-L133 HydrophobicContact CD1-CB 3.85Å; F94-L133 HydrophobicContact CD1-CD2 4.44Å; F94-L133 HydrophobicContact CE1-CB 3.91Å; F94-L142 HydrophobicContact CD1-CD1 3.92Å; F94-L142 HydrophobicContact CD2-CD1 4Å; F94-L142 HydrophobicContact CD2-CD2 4.06Å; F94-L142 HydrophobicContact CE1-CD1 3.79Å; F94-L142 HydrophobicContact CE2-CD1 3.92Å; F94-L142 HydrophobicContact CE2-CD2 4.49Å; F94-L142 HydrophobicContact CG-CD1 4.03Å; F94-L142 HydrophobicContact CG-CD2 4.38Å; F94-L142 HydrophobicContact CZ-CD1 3.81Å |
| 95 | I | 95.9 | Very high | 90 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 176.3 | -71.5 | 157.9 | 0 | 0 | 0 | 110.1 | L91 G92 H97 Y98 A99 L169 I170 R173 | L91-I95 WeakPolarHBondContact O-CB 3.43Å; L91-I95 VanDerWaalsContact O-CD1 3.26Å; L91-I95 WeakPolarHBondContact O-CD1 3.31Å; L91-I95 WeakPolarHBondContact O-CG1 3.1Å; L91-I95 PolarHBondContact O-N 2.78Å; G92-I95 WeakPolarHBondContact O-CB 3.25Å; G92-I95 PolarHBondContact O-N 2.98Å; I95-H97 PolarHBondContact O-N 2.8Å; I95-Y98 PolarHBondContact O-N 3.15Å; I95-A99 PolarHBondContact O-N 2.98Å; I95-L169 HydrophobicContact CD1-CB 4.15Å; I95-L169 HydrophobicContact CG1-CB 3.63Å; I95-I170 HydrophobicContact CD1-CB 4.49Å; I95-I170 HydrophobicContact CD1-CG1 3.94Å; I95-I170 HydrophobicContact CG1-CG1 4.08Å; I95-I170 HydrophobicContact CG2-CD1 4.17Å; I95-I170 HydrophobicContact CG2-CG1 3.79Å; I95-R173 HydrophobicContact CD1-CB 4.06Å; I95-R173 HydrophobicContact CD1-CG 4.47Å |
| 96 | E | 95.8 | Very high | 88.5 | Confident | 125 Ų | 125 | 62.4 Ų | 62.4 | 58% | 0.584 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.4 | -46.8 | 177.8 | -71.4 | -179.2 | -175.5 | 0 | 0 | 111.6 | G92 Y98 A99 Q100 | G92-E96 PolarHBondContact O-N 2.87Å; E96-Y98 PolarHBondContact O-N 2.81Å; E96-A99 PolarHBondContact O-N 2.84Å; E96-Q100 WeakPolarHBondContact O-CG 3.35Å; E96-Q100 PolarHBondContact O-N 2.9Å |
| 97 | H | 94.3 | Very high | 86.9 | Confident | 49 Ų | 49 | 65.8 Ų | 65.8 | 23% | 0.227 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 175.6 | -175.7 | 71.3 | 0 | 0 | 0 | 111.4 | D93 I95 A99 Q100 L101 K118 | D93-H97 WeakPolarHBondContact O-CB 3.16Å; D93-H97 PolarHBondContact O-N 2.81Å; I95-H97 PolarHBondContact O-N 2.8Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 3Å; H97-Q100 PolarHBondContact O-N 3.02Å; H97-Q100 VanDerWaalsContact O-N 3.12Å; H97-L101 WeakPolarHBondContact O-CG 3.48Å; H97-L101 PolarHBondContact O-N 2.86Å; H97-K118 HydrophobicContact CB-CD 3.83Å |
| 98 | Y | 93 | Very high | 85.1 | Confident | 61 Ų | 61 | 71 Ų | 71 | 24% | 0.239 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61 | -37 | 178 | 174.7 | -109.8 | 0 | 0 | 0 | 112.7 | F94 I95 E96 Q100 L101 R140 A166 | F94-Y98 VanDerWaalsContact O-CB 3.23Å; F94-Y98 WeakPolarHBondContact O-CB 3.11Å; F94-Y98 PolarHBondContact O-N 2.88Å; I95-Y98 PolarHBondContact O-N 3.15Å; E96-Y98 PolarHBondContact O-N 2.81Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 2.87Å; Y98-L101 HydrophobicContact CD2-CD1 4.35Å; Y98-L101 WeakPolarHBondContact O-CB 3.29Å; Y98-L101 PolarHBondContact O-N 2.81Å; Y98-R140 HydrophobicContact CE2-CB 4.14Å; Y98-R140 HydrophobicContact CE2-CG 4.48Å; Y98-A166 HydrophobicContact CD2-CB 3.81Å; Y98-A166 HydrophobicContact CE1-CB 4.3Å; Y98-A166 HydrophobicContact CE2-CB 3.57Å; Y98-A166 HydrophobicContact CG-CB 4.28Å |
| 99 | A | 92.3 | Very high | 83.2 | Confident | 83 Ų | 83 | 70.1 Ų | 70.1 | 69% | 0.686 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66.5 | -26.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | I95 E96 H97 | I95-A99 PolarHBondContact O-N 2.98Å; E96-A99 PolarHBondContact O-N 2.84Å; H97-A99 VanDerWaalsContact C-N 3.3Å; H97-A99 PolarHBondContact O-N 3Å |
| 100 | Q | 91.2 | Very high | 81.2 | Confident | 154 Ų | 154 | 74.3 Ų | 74.3 | 72% | 0.72 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -83.1 | -15.3 | 175.8 | -64.9 | 170.7 | 9 | 0 | 0 | 112.8 | E96 H97 Y98 G102 | E96-Q100 WeakPolarHBondContact O-CG 3.35Å; E96-Q100 PolarHBondContact O-N 2.9Å; H97-Q100 PolarHBondContact O-N 3.02Å; H97-Q100 VanDerWaalsContact O-N 3.12Å; Y98-Q100 VanDerWaalsContact C-N 3.26Å; Y98-Q100 PolarHBondContact O-N 2.87Å; Q100-G102 PolarHBondContact O-N 2.79Å |
| 101 | L | 86.4 | Confident | 79 | Confident | 47 Ų | 47 | 79.5 Ų | 79.5 | 25% | 0.246 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -76.9 | 123.6 | 178.2 | -63.1 | 174.1 | 0 | 0 | 0 | 109.9 | H97 Y98 L117 L133 | H97-L101 WeakPolarHBondContact O-CG 3.48Å; H97-L101 PolarHBondContact O-N 2.86Å; Y98-L101 HydrophobicContact CD2-CD1 4.35Å; Y98-L101 WeakPolarHBondContact O-CB 3.29Å; Y98-L101 PolarHBondContact O-N 2.81Å; L101-L117 HydrophobicContact CD1-CD1 3.82Å; L101-L133 HydrophobicContact CD1-CD2 4.18Å |
| 102 | G | 79.5 | Confident | 76.8 | Confident | 48 Ų | 48 | 85.9 Ų | 85.9 | 50% | 0.495 | 48% | 0.478 | S | S | . | . | trans | -62.1 | -177.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q100 R140 | Q100-G102 PolarHBondContact O-N 2.79Å; G102-R140 PolarHBondContact O-NH1 3.05Å; G102-R140 PolarHBondContact O-NH2 2.83Å | ||
| 103 | P | 76.5 | Confident | 74.8 | Confident | 120 Ų | 120 | 90.6 Ų | 90.6 | 78% | 0.779 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -54 | 143.1 | -179.9 | 19.9 | -30.2 | 0 | 0 | 0 | 112 | N105 | P103-N105 PolarHBondContact O-N 3.35Š|
| 104 | S | 68.1 | Low | 73.3 | Confident | 63 Ų | 63 | 97.5 Ų | 97.5 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | trans | -60.2 | 125.1 | 179 | -40.6 | 0 | 0 | 0 | 0 | 109.9 | P106 E135 | S104-P106 VanDerWaalsContact O-CD 3.3Å; S104-P106 WeakPolarHBondContact O-CD 3.34Å; S104-E135 VanDerWaalsContact CA-OE1 3.3Å; S104-E135 WeakPolarHBondContact CA-OE1 3.46Å; S104-E135 VanDerWaalsContact CB-OE1 3.24Å; S104-E135 WeakPolarHBondContact CB-OE1 3.33Å | ||
| 105 | N | 63.3 | Low | 72.1 | Confident | 93 Ų | 93 | 107.2 Ų | 107.2 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | trans | -99.8 | 102.5 | 177.7 | -100.7 | -7 | 0 | 0 | 0 | 109.5 | P103 D107 I108 V109 | P103-N105 PolarHBondContact O-N 3.35Å; N105-D107 VanDerWaalsContact C-N 3.25Å; N105-D107 PolarHBondContact O-N 3.01Å; N105-I108 HydrophobicContact CB-CD1 3.79Å; N105-I108 HydrophobicContact CB-CG1 4.14Å; N105-V109 WeakPolarHBondContact O-CG2 3.35Å | ||
| 106 | P | 60.9 | Low | 71.6 | Confident | 88 Ų | 88 | 107.4 Ų | 107.4 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -66.9 | -25 | -175.5 | 26.9 | -34 | 0 | 0 | 0 | 113.4 | S104 | S104-P106 VanDerWaalsContact O-CD 3.3Å; S104-P106 WeakPolarHBondContact O-CD 3.34Å |
| 107 | D | 59.8 | Low | 71.3 | Confident | 140 Ų | 140 | 104.7 Ų | 104.7 | 75% | 0.749 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -75.6 | -24.2 | -175.2 | -65.4 | -33.3 | 0 | 0 | 0 | 113.8 | N105 V109 | N105-D107 VanDerWaalsContact C-N 3.25Å; N105-D107 PolarHBondContact O-N 3.01Å; D107-V109 VanDerWaalsContact C-N 3.3Å; D107-V109 PolarHBondContact O-N 2.8Å |
| 108 | I | 57.7 | Low | 71.3 | Confident | 117 Ų | 117 | 104.6 Ų | 104.6 | 60% | 0.6 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -79.9 | -15.3 | -179.5 | -57.1 | 174 | 0 | 0 | 0 | 111.4 | N105 Q110 | N105-I108 HydrophobicContact CB-CD1 3.79Å; N105-I108 HydrophobicContact CB-CG1 4.14Å; I108-Q110 VanDerWaalsContact C-N 3.29Å; I108-Q110 PolarHBondContact O-N 2.97Å |
| 109 | V | 56.4 | Low | 71.4 | Confident | 52 Ų | 52 | 104.8 Ų | 104.8 | 32% | 0.315 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -79.7 | -7.4 | -170.5 | -165.1 | 0 | 0 | 0 | 0 | 113 | N105 D107 | N105-V109 WeakPolarHBondContact O-CG2 3.35Å; D107-V109 VanDerWaalsContact C-N 3.3Å; D107-V109 PolarHBondContact O-N 2.8Å |
| 110 | Q | 53.3 | Low | 71.5 | Confident | 164 Ų | 164 | 103.7 Ų | 103.7 | 77% | 0.766 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -84.5 | -28 | -176 | -75 | -172.2 | -4.6 | 0 | 0 | 114.9 | I108 | I108-Q110 VanDerWaalsContact C-N 3.29Å; I108-Q110 PolarHBondContact O-N 2.97Å |
| 111 | D | 49.6 | Very low | 71.6 | Confident | 163 Ų | 163 | 101.8 Ų | 101.8 | 87% | 0.872 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | -14.2 | -163 | -108.5 | -15.5 | 0 | 0 | 0 | 116.6 | ||
| 112 | E | 50 | Low | 71.7 | Confident | 135 Ų | 135 | 100.1 Ų | 100.1 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -113 | 148.1 | -175.3 | -85.3 | -110.2 | 149.7 | 0 | 0 | 113.5 | R114 | E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 2.89Å |
| 113 | P | 52.8 | Low | 72 | Confident | 113 Ų | 113 | 101.8 Ų | 101.8 | 73% | 0.734 | 53% | 0.527 | S | S | * | . | trans | -68.7 | 78.9 | -179.9 | 28.3 | -34.2 | 0 | 0 | 0 | 112.2 | R115 | P113-R115 PolarHBondContact O-N 3.11Š| ||
| 114 | R | 64.9 | Low | 72.2 | Confident | 213 Ų | 213 | 101.5 Ų | 101.5 | 80% | 0.804 | 51% | 0.511 | S | S | * | . | trans | 23.3 | 51.6 | 166.6 | -63.6 | -178.4 | -178.8 | 154.8 | 1 | 115.3 | E112 K134 | E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 2.89Å; R114-K134 PolarHBondContact O-NZ 3.31Å | ||
| 115 | R | 73.4 | Confident | 72.8 | Confident | 204 Ų | 204 | 106.5 Ų | 106.5 | 77% | 0.77 | 53% | 0.527 | S | S | * | . | trans | -67.1 | 141.6 | -177.7 | -164.9 | 173.3 | -179.6 | 179.7 | -1 | 108.4 | P113 | P113-R115 PolarHBondContact O-N 3.11Š| ||
| 116 | A | 85.3 | Confident | 73.6 | Confident | 23 Ų | 23 | 106 Ų | 106 | 19% | 0.19 | 53% | 0.525 | C | S | . | . | trans | -69.3 | 136 | 173 | 0 | 0 | 0 | 0 | 0 | 108.9 | K118 S119 D132 L133 K134 | A116-K118 VanDerWaalsContact C-N 3.3Å; A116-S119 WeakPolarHBondContact CB-OG 3.24Å; A116-D132 HydrophobicContact CB-CB 3.95Å; A116-L133 CarbonylContact C-O 3.58Å; A116-L133 WeakPolarHBondContact CA-O 3.31Å; A116-K134 HydrophobicContact CB-CG 4.36Å | ||
| 117 | L | 89.3 | Confident | 74.8 | Confident | 69 Ų | 69 | 105.9 Ų | 105.9 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -65.1 | -39.6 | 172.6 | -60.9 | 177.2 | 0 | 0 | 0 | 110.4 | L101 L133 E135 R140 | L101-L117 HydrophobicContact CD1-CD1 3.82Å; L117-L133 HydrophobicContact CB-CD2 4.42Å; L117-L133 HydrophobicContact CB-CG 4.41Å; L117-L133 HydrophobicContact CD1-CG 4.45Å; L117-L133 PolarHBondContact N-O 3.28Å; L117-E135 HydrophobicContact CD1-CB 4.12Å; L117-R140 HydrophobicContact CD1-CG 4.24Å |
| 118 | K | 93.1 | Very high | 76.3 | Confident | 47 Ų | 47 | 101.5 Ų | 101.5 | 20% | 0.204 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 139.7 | 171.4 | -178.3 | 171.8 | 174.3 | 169.9 | 0 | 108.6 | D93 F94 H97 A116 L133 | D93-K118 PolarHBondContact O-NZ 2.7Å; F94-K118 HydrophobicContact CD1-CB 4.17Å; F94-K118 HydrophobicContact CD1-CD 3.85Å; F94-K118 HydrophobicContact CD1-CG 4.04Å; F94-K118 HydrophobicContact CE1-CB 3.8Å; F94-K118 HydrophobicContact CE1-CD 3.9Å; F94-K118 HydrophobicContact CE1-CG 3.58Å; F94-K118 HydrophobicContact CZ-CG 4.39Å; H97-K118 HydrophobicContact CB-CD 3.83Å; A116-K118 VanDerWaalsContact C-N 3.3Å; K118-L133 HydrophobicContact CB-CB 4.33Å; K118-L133 PolarHBondContact O-N 3.36Å |
| 119 | S | 95 | Very high | 78 | Confident | 64 Ų | 64 | 96.5 Ų | 96.5 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131.9 | 176.4 | -78.4 | 0 | 0 | 0 | 0 | 109.9 | A116 M131 D132 | A116-S119 WeakPolarHBondContact CB-OG 3.24Å; S119-M131 CarbonylContact C-O 3.45Å; S119-M131 VanDerWaalsContact CA-O 3.28Å; S119-M131 WeakPolarHBondContact CA-O 3.4Å; S119-D132 PolarHBondContact OG-OD1 2.73Å |
| 120 | E | 95.6 | Very high | 79.8 | Confident | 61 Ų | 61 | 97 Ų | 97 | 29% | 0.285 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 158.8 | 172 | -68.7 | -60.7 | 159.6 | 0 | 0 | 109.6 | Y90 F94 M131 | Y90-E120 HydrophobicContact CD1-CB 4.07Å; Y90-E120 HydrophobicContact CD1-CG 3.94Å; Y90-E120 HydrophobicContact CE1-CB 4.13Å; Y90-E120 HydrophobicContact CE1-CG 4.1Å; F94-E120 HydrophobicContact CE2-CB 4.06Å; F94-E120 HydrophobicContact CE2-CG 4.05Å; F94-E120 HydrophobicContact CZ-CB 3.85Å; F94-E120 HydrophobicContact CZ-CG 3.77Å; E120-M131 HydrophobicContact CB-CB 4.45Å; E120-M131 HydrophobicContact CB-CE 3.97Å; E120-M131 PolarHBondContact N-O 2.75Å; E120-M131 PolarHBondContact O-N 3.41Å |
| 121 | F | 92.6 | Very high | 81.9 | Confident | 114 Ų | 114 | 89.3 Ų | 89.3 | 50% | 0.5 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 148.1 | 171.2 | 71.6 | -89.2 | 0 | 0 | 0 | 112.3 | V123 K128 Y129 Y130 | F121-V123 HydrophobicContact CD2-CG2 3.98Å; F121-V123 HydrophobicContact CE2-CG2 4.12Å; F121-K128 HydrophobicContact CD2-CD 4.47Å; F121-K128 VanDerWaalsContact CD2-CE 3.45Å; F121-Y129 CarbonylContact C-O 3.53Å; F121-Y129 WeakPolarHBondContact CA-O 3.43Å; F121-Y129 WeakPolarHBondContact CB-O 3.48Å; F121-Y130 HydrophobicContact CB-CD1 4.33Å |
| 122 | L | 87.7 | Confident | 84 | Confident | 11 Ų | 11 | 82.4 Ų | 82.4 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 135.2 | 176.3 | 172.2 | 61.6 | 0 | 0 | 0 | 109.4 | V83 E86 Y90 K128 Y129 M131 | V83-L122 HydrophobicContact CB-CD2 4.3Å; V83-L122 HydrophobicContact CG1-CD2 3.74Å; V83-L122 HydrophobicContact CG2-CD2 4.22Å; E86-L122 HydrophobicContact CB-CD2 3.95Å; E86-L122 WeakPolarHBondContact OE2-CD1 3.5Å; Y90-L122 HydrophobicContact CE2-CB 4.35Å; L122-K128 CarbonylContact O-C 3.46Å; L122-K128 WeakPolarHBondContact O-CA 3.23Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 3.32Å; L122-Y129 PolarHBondContact O-N 3.04Å; L122-M131 HydrophobicContact CB-CE 4.39Å |
| 123 | V | 86.3 | Confident | 86.2 | Confident | 83 Ų | 83 | 76 Ų | 76 | 50% | 0.503 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.8 | 174.5 | -177.5 | 0 | 0 | 0 | 0 | 108.9 | F121 R127 K128 | F121-V123 HydrophobicContact CD2-CG2 3.98Å; F121-V123 HydrophobicContact CE2-CG2 4.12Å; V123-R127 WeakPolarHBondContact CA-O 3.25Å; V123-K128 HydrophobicContact CG2-CB 4.38Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.94Å |
| 124 | R | 82 | Confident | 88.2 | Confident | 115 Ų | 115 | 72 Ų | 72 | 43% | 0.434 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 127.2 | 173.4 | -167.9 | 70.4 | 179.1 | 162.3 | -2.2 | 109.3 | V83 N126 R127 | V83-R124 HydrophobicContact CG2-CB 3.67Å; V83-R124 HydrophobicContact CG2-CG 3.74Å; R124-N126 PolarHBondContact O-N 2.9Å; R124-R127 PolarHBondContact N-O 3.11Å; R124-R127 PolarHBondContact O-N 2.92Å; R124-R127 VanDerWaalsContact O-O 3.13Å |
| 125 | E | 80.7 | Confident | 89.4 | Confident | 168 Ų | 168 | 63.7 Ų | 63.7 | 79% | 0.785 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | -118 | -175 | -57.8 | 175.2 | 171.3 | 0 | 0 | 111.6 | ||
| 126 | N | 79.6 | Confident | 89.9 | Confident | 82 Ų | 82 | 56.7 Ų | 56.7 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 20 | 176.5 | 69 | -20.3 | 0 | 0 | 0 | 113 | R124 V148 N149 | R124-N126 PolarHBondContact O-N 2.9Å; N126-V148 CarbonylContact O-C 3.58Å; N126-V148 WeakPolarHBondContact O-CA 3.36Å; N126-N149 PolarHBondContact O-N 3.47Å |
| 127 | R | 85.7 | Confident | 89.8 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 33% | 0.325 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138.4 | -178.6 | -58.3 | -177.3 | -177.4 | -126.3 | 0.4 | 110.4 | V123 R124 Y129 T147 V148 | V123-R127 WeakPolarHBondContact CA-O 3.25Å; R124-R127 PolarHBondContact N-O 3.11Å; R124-R127 PolarHBondContact O-N 2.92Å; R124-R127 VanDerWaalsContact O-O 3.13Å; R127-Y129 HydrophobicContact CB-CE2 3.82Å; R127-Y129 WeakPolarHBondContact CD-OH 2.96Å; R127-T147 WeakPolarHBondContact CA-O 3.38Å; R127-V148 HydrophobicContact CG-CG2 4.43Å |
| 128 | K | 90.5 | Very high | 89.6 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 20% | 0.204 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.9 | 172.4 | -173.4 | 164 | 176.5 | -169.5 | 0 | 109.4 | F121 L122 V123 Y130 Q146 T147 | F121-K128 HydrophobicContact CD2-CD 4.47Å; F121-K128 VanDerWaalsContact CD2-CE 3.45Å; L122-K128 CarbonylContact O-C 3.46Å; L122-K128 WeakPolarHBondContact O-CA 3.23Å; V123-K128 HydrophobicContact CG2-CB 4.38Å; V123-K128 HydrophobicContact CG2-CD 3.94Å; V123-K128 HydrophobicContact CG2-CG 3.94Å; K128-Y130 HydrophobicContact CB-CE2 4.17Å; K128-Y130 HydrophobicContact CD-CE1 4.03Å; K128-Y130 HydrophobicContact CD-CE2 3.91Å; K128-Y130 VanDerWaalsContact CD-CZ 3.47Å; K128-Y130 VanDerWaalsContact CD-OH 3.26Å; K128-Y130 WeakPolarHBondContact CD-OH 2.99Å; K128-Y130 WeakPolarHBondContact CE-OH 3.43Å; K128-Y130 HydrophobicContact CG-CD2 4.22Å; K128-Y130 HydrophobicContact CG-CE1 4.36Å; K128-Y130 HydrophobicContact CG-CE2 3.71Å; K128-Y130 PolarHBondContact NZ-OH 2.68Å; K128-Q146 WeakPolarHBondContact O-CA 3.44Å; K128-T147 PolarHBondContact N-O 2.81Å; K128-T147 PolarHBondContact O-N 3.22Å; K128-T147 PolarHBondContact O-OG1 3.29Å |
| 129 | Y | 93.7 | Very high | 89.3 | Confident | 12 Ų | 12 | 67 Ų | 67 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117.4 | 178 | -59.5 | -92 | 0 | 0 | 0 | 107.6 | L77 T78 L79 V83 F121 L122 R127 R145 Q146 | L77-Y129 HydrophobicContact CD1-CD1 4.32Å; L77-Y129 HydrophobicContact CD1-CE1 4.1Å; T78-Y129 PolarHBondContact O-OH 2.9Å; L79-Y129 HydrophobicContact CD2-CD1 3.84Å; L79-Y129 HydrophobicContact CD2-CE1 3.23Å; V83-Y129 HydrophobicContact CG1-CD2 4.28Å; V83-Y129 HydrophobicContact CG1-CE2 3.99Å; V83-Y129 HydrophobicContact CG2-CE2 4.32Å; F121-Y129 CarbonylContact C-O 3.53Å; F121-Y129 WeakPolarHBondContact CA-O 3.43Å; F121-Y129 WeakPolarHBondContact CB-O 3.48Å; L122-Y129 HydrophobicContact CG-CD2 4.48Å; L122-Y129 PolarHBondContact N-O 3.32Å; L122-Y129 PolarHBondContact O-N 3.04Å; R127-Y129 HydrophobicContact CB-CE2 3.82Å; R127-Y129 WeakPolarHBondContact CD-OH 2.96Å; Y129-R145 CarbonylContact C-O 3.56Å; Y129-R145 WeakPolarHBondContact CA-O 3.38Å; Y129-Q146 HydrophobicContact CD1-CB 3.8Å; Y129-Q146 HydrophobicContact CD1-CG 3.85Å; Y129-Q146 HydrophobicContact CE1-CB 3.79Å; Y129-Q146 HydrophobicContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.44Å; Y129-Q146 PolarHBondContact OH-OE1 3.43Å |
| 130 | Y | 94.9 | Very high | 89.2 | Confident | 62 Ų | 62 | 65 Ų | 65 | 24% | 0.243 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 131 | 174.7 | -62.7 | -92 | 0 | 0 | 0 | 108.7 | F121 K128 I144 R145 T147 | F121-Y130 HydrophobicContact CB-CD1 4.33Å; K128-Y130 HydrophobicContact CB-CE2 4.17Å; K128-Y130 HydrophobicContact CD-CE1 4.03Å; K128-Y130 HydrophobicContact CD-CE2 3.91Å; K128-Y130 VanDerWaalsContact CD-CZ 3.47Å; K128-Y130 VanDerWaalsContact CD-OH 3.26Å; K128-Y130 WeakPolarHBondContact CD-OH 2.99Å; K128-Y130 WeakPolarHBondContact CE-OH 3.43Å; K128-Y130 HydrophobicContact CG-CD2 4.22Å; K128-Y130 HydrophobicContact CG-CE1 4.36Å; K128-Y130 HydrophobicContact CG-CE2 3.71Å; K128-Y130 PolarHBondContact NZ-OH 2.68Å; Y130-I144 CarbonylContact O-C 3.51Å; Y130-I144 VanDerWaalsContact O-CA 3.3Å; Y130-I144 WeakPolarHBondContact O-CA 3.03Å; Y130-R145 PolarHBondContact N-O 2.97Å; Y130-R145 PolarHBondContact O-N 3.41Å; Y130-T147 HydrophobicContact CD2-CG2 4.34Å; Y130-T147 HydrophobicContact CE2-CG2 4.03Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.38Å |
| 131 | M | 96.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 107.7 | -178.7 | -63.7 | 174 | -78.8 | 0 | 0 | 108.3 | F87 Y90 F94 S119 E120 L122 L142 R143 I144 | F87-M131 HydrophobicContact CD2-SD 3.63Å; F87-M131 HydrophobicContact CE2-SD 3.91Å; Y90-M131 HydrophobicContact CD1-CE 4.4Å; Y90-M131 HydrophobicContact CD2-CE 3.6Å; Y90-M131 HydrophobicContact CD2-SD 4.47Å; Y90-M131 HydrophobicContact CE2-CE 4.05Å; Y90-M131 HydrophobicContact CG-CE 3.8Å; Y90-M131 HydrophobicContact CG-SD 4.46Å; F94-M131 HydrophobicContact CE2-CB 3.74Å; F94-M131 HydrophobicContact CE2-SD 4.36Å; F94-M131 HydrophobicContact CZ-CB 3.82Å; F94-M131 WeakPolarHBondContact CZ-O 3.27Å; S119-M131 CarbonylContact C-O 3.45Å; S119-M131 VanDerWaalsContact CA-O 3.28Å; S119-M131 WeakPolarHBondContact CA-O 3.4Å; E120-M131 HydrophobicContact CB-CB 4.45Å; E120-M131 HydrophobicContact CB-CE 3.97Å; E120-M131 PolarHBondContact N-O 2.75Å; E120-M131 PolarHBondContact O-N 3.41Å; L122-M131 HydrophobicContact CB-CE 4.39Å; M131-L142 HydrophobicContact CB-CD1 4.32Å; M131-R143 WeakPolarHBondContact CA-O 3.1Å; M131-I144 HydrophobicContact CG-CG1 4.22Å; M131-I144 HydrophobicContact CG-CG2 4.26Å |
| 132 | D | 95.6 | Very high | 89.3 | Confident | 18 Ų | 18 | 58.6 Ų | 58.6 | 10% | 0.096 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 112.7 | -177.2 | -57.3 | -45.9 | 0 | 0 | 0 | 109.9 | A116 S119 K134 R143 | A116-D132 HydrophobicContact CB-CB 3.95Å; S119-D132 PolarHBondContact OG-OD1 2.73Å; D132-K134 HydrophobicContact CB-CD 4.22Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.94Å; D132-R143 PolarHBondContact N-O 2.94Å; D132-R143 PolarHBondContact O-N 2.82Å; D132-R143 IonicContact OD2-CZ 2.77Å; D132-R143 IonicContact OD2-NE 2.69Å; D132-R143 IonicContact OD2-NH2 2.67Å; D132-R143 PolarHBondContact OD2-NH2 2.97Å |
| 133 | L | 96 | Very high | 89.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 121.3 | 166.6 | -175.9 | 66 | 0 | 0 | 0 | 108.4 | F94 L101 A116 L117 K118 L142 A166 | F94-L133 HydrophobicContact CD1-CB 3.85Å; F94-L133 HydrophobicContact CD1-CD2 4.44Å; F94-L133 HydrophobicContact CE1-CB 3.91Å; L101-L133 HydrophobicContact CD1-CD2 4.18Å; A116-L133 CarbonylContact C-O 3.58Å; A116-L133 WeakPolarHBondContact CA-O 3.31Å; L117-L133 HydrophobicContact CB-CD2 4.42Å; L117-L133 HydrophobicContact CB-CG 4.41Å; L117-L133 HydrophobicContact CD1-CG 4.45Å; L117-L133 PolarHBondContact N-O 3.28Å; K118-L133 HydrophobicContact CB-CB 4.33Å; K118-L133 PolarHBondContact O-N 3.36Å; L133-L142 HydrophobicContact CB-CD1 4.21Å; L133-L142 HydrophobicContact CD1-CB 4.43Å; L133-A166 HydrophobicContact CD1-CB 4.4Å |
| 134 | K | 93.7 | Very high | 90.1 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 13% | 0.13 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 157.9 | -174.1 | -68.2 | -176.2 | 173.7 | -112.5 | 0 | 111 | R114 A116 D132 R140 F141 R143 | R114-K134 PolarHBondContact O-NZ 3.31Å; A116-K134 HydrophobicContact CB-CG 4.36Å; D132-K134 HydrophobicContact CB-CD 4.22Å; D132-K134 HydrophobicContact CB-CG 4.08Å; D132-K134 PolarHBondContact O-N 2.94Å; K134-R140 CarbonylContact O-C 3.57Å; K134-R140 WeakPolarHBondContact O-CA 3.45Å; K134-F141 HydrophobicContact CB-CD1 4.34Å; K134-F141 HydrophobicContact CB-CE1 3.76Å; K134-F141 HydrophobicContact CB-CE2 4.23Å; K134-F141 HydrophobicContact CB-CZ 3.71Å; K134-F141 HydrophobicContact CD-CZ 4.22Å; K134-F141 PolarHBondContact N-O 3.23Å; K134-F141 PolarHBondContact O-N 3.25Å; K134-R143 VanDerWaalsContact CE-NH2 3.34Å |
| 135 | E | 89.6 | Confident | 90.7 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138 | 173.9 | -168 | 160.1 | 169.6 | 0 | 0 | 110.1 | S104 L117 R140 | S104-E135 VanDerWaalsContact CA-OE1 3.3Å; S104-E135 WeakPolarHBondContact CA-OE1 3.46Å; S104-E135 VanDerWaalsContact CB-OE1 3.24Å; S104-E135 WeakPolarHBondContact CB-OE1 3.33Å; L117-E135 HydrophobicContact CD1-CB 4.12Å; E135-R140 HydrophobicContact CB-CG 4.02Å; E135-R140 HydrophobicContact CG-CG 3.83Å; E135-R140 IonicContact OE1-NE 2.82Å; E135-R140 IonicContact OE1-NH2 3.57Å; E135-R140 IonicContact OE2-CZ 2.83Å; E135-R140 IonicContact OE2-NE 3.64Å; E135-R140 PolarHBondContact OE2-NE 3.43Å; E135-R140 IonicContact OE2-NH2 3.35Å; E135-R140 PolarHBondContact OE2-NH2 3.37Å |
| 136 | N | 85.2 | Confident | 91.1 | Very high | 57 Ų | 57 | 49 Ų | 49 | 31% | 0.305 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | -179.8 | 171.2 | 67.8 | 22.9 | 0 | 0 | 0 | 110 | R138 G139 F141 | N136-R138 PolarHBondContact O-N 3.35Å; N136-R138 VanDerWaalsContact OD1-CA 3.29Å; N136-R138 WeakPolarHBondContact OD1-CA 3.31Å; N136-R138 VanDerWaalsContact OD1-CB 3.32Å; N136-R138 WeakPolarHBondContact OD1-CB 3.49Å; N136-R138 PolarHBondContact OD1-N 3.15Å; N136-G139 PolarHBondContact N-O 3.3Å; N136-G139 PolarHBondContact O-N 3.27Å; N136-G139 PolarHBondContact OD1-N 3.36Å; N136-G139 VanDerWaalsContact OD1-N 3.12Å; N136-G139 PolarHBondContact OD1-O 3.12Å; N136-F141 HydrophobicContact CB-CE1 4.02Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.33Å |
| 137 | Q | 83.5 | Confident | 91.5 | Very high | 180 Ų | 180 | 46.5 Ų | 46.5 | 84% | 0.841 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.2 | 178.2 | -65.9 | 176.6 | 1.8 | 0 | 0 | 114.1 | ||
| 138 | R | 83.4 | Confident | 91.2 | Very high | 161 Ų | 161 | 44.8 Ų | 44.8 | 61% | 0.608 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -3.5 | 177.2 | -61.6 | 175.9 | 58.1 | -161.7 | -6.5 | 112.8 | N47 N136 | N47-R138 PolarHBondContact ND2-NH2 3.22Å; N47-R138 PolarHBondContact OD1-NH2 3.04Å; N136-R138 PolarHBondContact O-N 3.35Å; N136-R138 VanDerWaalsContact OD1-CA 3.29Å; N136-R138 WeakPolarHBondContact OD1-CA 3.31Å; N136-R138 VanDerWaalsContact OD1-CB 3.32Å; N136-R138 WeakPolarHBondContact OD1-CB 3.49Å; N136-R138 PolarHBondContact OD1-N 3.15Å |
| 139 | G | 88.4 | Confident | 89.9 | Confident | 14 Ų | 14 | 47.9 Ų | 47.9 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.4 | -164.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N136 | N136-G139 PolarHBondContact N-O 3.3Å; N136-G139 PolarHBondContact O-N 3.27Å; N136-G139 PolarHBondContact OD1-N 3.36Å; N136-G139 VanDerWaalsContact OD1-N 3.12Å; N136-G139 PolarHBondContact OD1-O 3.12Å |
| 140 | R | 92.4 | Very high | 88.4 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 142.9 | -178.2 | -61.4 | -175.9 | -171.5 | 133.5 | 3 | 111.7 | Y98 G102 L117 K134 E135 A166 | Y98-R140 HydrophobicContact CE2-CB 4.14Å; Y98-R140 HydrophobicContact CE2-CG 4.48Å; G102-R140 PolarHBondContact O-NH1 3.05Å; G102-R140 PolarHBondContact O-NH2 2.83Å; L117-R140 HydrophobicContact CD1-CG 4.24Å; K134-R140 CarbonylContact O-C 3.57Å; K134-R140 WeakPolarHBondContact O-CA 3.45Å; E135-R140 HydrophobicContact CB-CG 4.02Å; E135-R140 HydrophobicContact CG-CG 3.83Å; E135-R140 IonicContact OE1-NE 2.82Å; E135-R140 IonicContact OE1-NH2 3.57Å; E135-R140 IonicContact OE2-CZ 2.83Å; E135-R140 IonicContact OE2-NE 3.64Å; E135-R140 PolarHBondContact OE2-NE 3.43Å; E135-R140 IonicContact OE2-NH2 3.35Å; E135-R140 PolarHBondContact OE2-NH2 3.37Å; R140-A166 HydrophobicContact CB-CB 3.8Å; R140-A166 WeakPolarHBondContact O-CB 3.22Å; R140-A166 PolarHBondContact O-N 2.92Å |
| 141 | F | 94.6 | Very high | 86.3 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 18% | 0.18 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 143.8 | 179.7 | 67.5 | -78.8 | 0 | 0 | 0 | 111.2 | K134 N136 R143 A163 L164 | K134-F141 HydrophobicContact CB-CD1 4.34Å; K134-F141 HydrophobicContact CB-CE1 3.76Å; K134-F141 HydrophobicContact CB-CE2 4.23Å; K134-F141 HydrophobicContact CB-CZ 3.71Å; K134-F141 HydrophobicContact CD-CZ 4.22Å; K134-F141 PolarHBondContact N-O 3.23Å; K134-F141 PolarHBondContact O-N 3.25Å; N136-F141 HydrophobicContact CB-CE1 4.02Å; N136-F141 WeakPolarHBondContact ND2-CE1 3.33Å; F141-R143 HydrophobicContact CD2-CB 4.29Å; F141-R143 HydrophobicContact CE2-CB 4.01Å; F141-A163 HydrophobicContact CD2-CB 4.04Å; F141-L164 CarbonylContact C-O 3.51Å; F141-L164 WeakPolarHBondContact CA-O 3.29Å; F141-L164 WeakPolarHBondContact CB-O 3.38Å |
| 142 | L | 96.3 | Very high | 83.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 117.1 | 171.7 | -175.8 | 64.8 | 0 | 0 | 0 | 109.4 | L91 F94 M131 L133 I144 A163 L164 L169 | L91-L142 HydrophobicContact CD2-CD2 3.6Å; F94-L142 HydrophobicContact CD1-CD1 3.92Å; F94-L142 HydrophobicContact CD2-CD1 4Å; F94-L142 HydrophobicContact CD2-CD2 4.06Å; F94-L142 HydrophobicContact CE1-CD1 3.79Å; F94-L142 HydrophobicContact CE2-CD1 3.92Å; F94-L142 HydrophobicContact CE2-CD2 4.49Å; F94-L142 HydrophobicContact CG-CD1 4.03Å; F94-L142 HydrophobicContact CG-CD2 4.38Å; F94-L142 HydrophobicContact CZ-CD1 3.81Å; M131-L142 HydrophobicContact CB-CD1 4.32Å; L133-L142 HydrophobicContact CB-CD1 4.21Å; L133-L142 HydrophobicContact CD1-CB 4.43Å; L142-I144 HydrophobicContact CD2-CD1 4.38Å; L142-I144 HydrophobicContact CD2-CG1 4.33Å; L142-I144 HydrophobicContact CG-CG1 4.17Å; L142-A163 CarbonylContact O-C 3.55Å; L142-A163 WeakPolarHBondContact O-CA 3.3Å; L142-L164 PolarHBondContact N-O 3.2Å; L142-L164 PolarHBondContact O-N 3.22Å; L142-L169 HydrophobicContact CB-CD2 3.95Å; L142-L169 HydrophobicContact CD2-CD2 3.85Å |
| 143 | R | 95.1 | Very high | 81.6 | Confident | 81 Ų | 81 | 63.6 Ų | 63.6 | 31% | 0.306 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 120.5 | 175.5 | -173.3 | 179.7 | 66.9 | 172.7 | 4.7 | 109.7 | M131 D132 K134 F141 T161 | M131-R143 WeakPolarHBondContact CA-O 3.1Å; D132-R143 PolarHBondContact N-O 2.94Å; D132-R143 PolarHBondContact O-N 2.82Å; D132-R143 IonicContact OD2-CZ 2.77Å; D132-R143 IonicContact OD2-NE 2.69Å; D132-R143 IonicContact OD2-NH2 2.67Å; D132-R143 PolarHBondContact OD2-NH2 2.97Å; K134-R143 VanDerWaalsContact CE-NH2 3.34Å; F141-R143 HydrophobicContact CD2-CB 4.29Å; F141-R143 HydrophobicContact CE2-CB 4.01Å; R143-T161 HydrophobicContact CG-CG2 3.76Å |
| 144 | I | 95.3 | Very high | 79.5 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.015 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.8 | 179.7 | -55.1 | 152.4 | 0 | 0 | 0 | 108.2 | L77 F87 Y130 M131 L142 T161 I162 L164 | L77-I144 HydrophobicContact CD2-CB 4.44Å; L77-I144 HydrophobicContact CD2-CG2 3.65Å; F87-I144 HydrophobicContact CE1-CD1 4.38Å; F87-I144 HydrophobicContact CE2-CD1 3.6Å; F87-I144 HydrophobicContact CE2-CG1 4.16Å; F87-I144 HydrophobicContact CZ-CD1 3.31Å; F87-I144 HydrophobicContact CZ-CG1 4.33Å; Y130-I144 CarbonylContact O-C 3.51Å; Y130-I144 VanDerWaalsContact O-CA 3.3Å; Y130-I144 WeakPolarHBondContact O-CA 3.03Å; M131-I144 HydrophobicContact CG-CG1 4.22Å; M131-I144 HydrophobicContact CG-CG2 4.26Å; L142-I144 HydrophobicContact CD2-CD1 4.38Å; L142-I144 HydrophobicContact CD2-CG1 4.33Å; L142-I144 HydrophobicContact CG-CG1 4.17Å; I144-T161 CarbonylContact O-C 3.49Å; I144-T161 WeakPolarHBondContact O-CA 3.34Å; I144-T161 WeakPolarHBondContact O-CG2 3.39Å; I144-I162 HydrophobicContact CB-CG1 3.93Å; I144-I162 HydrophobicContact CD1-CD1 3.96Å; I144-I162 HydrophobicContact CD1-CG1 3.99Å; I144-I162 PolarHBondContact N-O 3.48Å; I144-I162 PolarHBondContact O-N 2.99Å; I144-L164 HydrophobicContact CD1-CD1 3.55Å; I144-L164 HydrophobicContact CD1-CD2 4.44Å |
| 145 | R | 93.6 | Very high | 77.2 | Confident | 84 Ų | 84 | 71 Ų | 71 | 32% | 0.317 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.9 | -177.6 | 177 | 177.9 | 59.4 | 123.7 | 3.5 | 110.4 | Y129 Y130 T147 Q160 T161 | Y129-R145 CarbonylContact C-O 3.56Å; Y129-R145 WeakPolarHBondContact CA-O 3.38Å; Y130-R145 PolarHBondContact N-O 2.97Å; Y130-R145 PolarHBondContact O-N 3.41Å; R145-T147 HydrophobicContact CG-CG2 4.32Å; R145-Q160 CarbonylContact C-O 3.51Å; R145-Q160 WeakPolarHBondContact CA-O 3.46Å; R145-T161 HydrophobicContact CB-CG2 4.25Å |
| 146 | Q | 90.8 | Very high | 75.2 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.037 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 125.5 | 172.1 | -176.7 | -163.3 | -63.6 | 0 | 0 | 110.5 | L77 T78 K128 Y129 G159 Q160 | L77-Q146 HydrophobicContact CD1-CB 3.55Å; L77-Q146 HydrophobicContact CD1-CG 4.39Å; T78-Q146 PolarHBondContact O-OE1 3.07Å; T78-Q146 VanDerWaalsContact O-OE1 3.13Å; K128-Q146 WeakPolarHBondContact O-CA 3.44Å; Y129-Q146 HydrophobicContact CD1-CB 3.8Å; Y129-Q146 HydrophobicContact CD1-CG 3.85Å; Y129-Q146 HydrophobicContact CE1-CB 3.79Å; Y129-Q146 HydrophobicContact CE1-CG 3.44Å; Y129-Q146 VanDerWaalsContact CE1-CG 3.44Å; Y129-Q146 PolarHBondContact OH-OE1 3.43Å; Q146-G159 CarbonylContact O-C 3.59Å; Q146-G159 VanDerWaalsContact O-CA 3.24Å; Q146-G159 WeakPolarHBondContact O-CA 3.48Å; Q146-Q160 HydrophobicContact CB-CB 4.34Å; Q146-Q160 PolarHBondContact N-O 3.06Å; Q146-Q160 PolarHBondContact O-N 3.26Å |
| 147 | T | 87.1 | Confident | 73.6 | Confident | 29 Ų | 29 | 74.6 Ų | 74.6 | 18% | 0.178 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 146.3 | 169 | 61.4 | 0 | 0 | 0 | 0 | 109.8 | R127 K128 Y130 R145 | R127-T147 WeakPolarHBondContact CA-O 3.38Å; K128-T147 PolarHBondContact N-O 2.81Å; K128-T147 PolarHBondContact O-N 3.22Å; K128-T147 PolarHBondContact O-OG1 3.29Å; Y130-T147 HydrophobicContact CD2-CG2 4.34Å; Y130-T147 HydrophobicContact CE2-CG2 4.03Å; Y130-T147 WeakPolarHBondContact CE2-OG1 3.38Å; R145-T147 HydrophobicContact CG-CG2 4.32Å |
| 148 | V | 78.9 | Confident | 72.4 | Confident | 50 Ų | 50 | 75 Ų | 75 | 30% | 0.303 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 126.4 | 171.3 | -174 | 0 | 0 | 0 | 0 | 107.3 | N126 R127 R150 | N126-V148 CarbonylContact O-C 3.58Å; N126-V148 WeakPolarHBondContact O-CA 3.36Å; R127-V148 HydrophobicContact CG-CG2 4.43Å; V148-R150 VanDerWaalsContact C-N 3.28Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 3.18Å |
| 149 | N | 64.4 | Low | 71.6 | Confident | 112 Ų | 112 | 68.9 Ų | 68.9 | 60% | 0.599 | 42% | 0.419 | S | S | * | . | trans | -72.9 | 88.5 | 171.9 | -76.6 | 24.8 | 0 | 0 | 0 | 107.9 | N126 | N126-N149 PolarHBondContact O-N 3.47Š| ||
| 150 | R | 60.8 | Low | 71.5 | Confident | 143 Ų | 143 | 70.6 Ų | 70.6 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 130.3 | 162.3 | -66.4 | 179.8 | 174.9 | -174 | -0.4 | 106.3 | V148 L154 | V148-R150 VanDerWaalsContact C-N 3.28Å; V148-R150 HydrophobicContact CG1-CG 4.12Å; V148-R150 PolarHBondContact O-N 3.18Å; R150-L154 HydrophobicContact CB-CB 4.31Å |
| 151 | G | 50.9 | Low | 71.5 | Confident | 51 Ų | 51 | 71.9 Ų | 71.9 | 53% | 0.526 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 171.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | G153 L154 | G151-G153 PolarHBondContact O-N 2.91Å; G151-G153 VanDerWaalsContact O-N 3.14Å; G151-L154 PolarHBondContact O-N 3.27Å |
| 152 | P | 40.1 | Very low | 71.5 | Confident | 149 Ų | 149 | 70 Ų | 70 | 97% | 0.968 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 121.7 | -176.6 | -18.5 | 29.5 | 0 | 0 | 0 | 110.5 | ||
| 153 | G | 53.4 | Low | 71.4 | Confident | 82 Ų | 82 | 70.9 Ų | 70.9 | 85% | 0.845 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 112.9 | -10.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | G151 | G151-G153 PolarHBondContact O-N 2.91Å; G151-G153 VanDerWaalsContact O-N 3.14Å |
| 154 | L | 51.5 | Low | 71.4 | Confident | 121 Ų | 121 | 67 Ų | 67 | 63% | 0.634 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -107.1 | 101.6 | 172.3 | -142.1 | 71.1 | 0 | 0 | 0 | 109.2 | R150 G151 | R150-L154 HydrophobicContact CB-CB 4.31Å; G151-L154 PolarHBondContact O-N 3.27Å |
| 155 | G | 46.7 | Very low | 71.4 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 65% | 0.649 | 42% | 0.42 | S | S | * | . | trans | -39.2 | 146.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A157 | G155-A157 VanDerWaalsContact C-N 3.33Å; G155-A157 PolarHBondContact O-N 2.99Å | ||
| 156 | S | 47 | Very low | 71.4 | Confident | 116 Ų | 116 | 63.3 Ų | 63.3 | 81% | 0.811 | 41% | 0.406 | S | S | * | . | trans | -50.1 | 93.1 | 174.4 | 165.8 | 0 | 0 | 0 | 0 | 110.4 | Q158 | S156-Q158 PolarHBondContact O-N 3.5Š| ||
| 157 | A | 52.2 | Low | 71.6 | Confident | 56 Ų | 56 | 67.8 Ų | 67.8 | 46% | 0.463 | 43% | 0.427 | S | S | . | . | trans | -56.2 | 118 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106 | G155 G159 | G155-A157 VanDerWaalsContact C-N 3.33Å; G155-A157 PolarHBondContact O-N 2.99Å; A157-G159 PolarHBondContact O-N 3.23Å | ||
| 158 | Q | 58.2 | Low | 72 | Confident | 190 Ų | 190 | 66.6 Ų | 66.6 | 89% | 0.888 | 42% | 0.42 | S | S | * | . | trans | -43 | 112.4 | -177.1 | -65.6 | -124.5 | -25.7 | 0 | 0 | 109.5 | S156 Q160 | S156-Q158 PolarHBondContact O-N 3.5Å; Q158-Q160 PolarHBondContact O-N 2.88Å | ||
| 159 | G | 65.4 | Low | 72.8 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 32% | 0.32 | 41% | 0.406 | S | S | . | . | trans | -58.4 | 135.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q146 A157 T161 | Q146-G159 CarbonylContact O-C 3.59Å; Q146-G159 VanDerWaalsContact O-CA 3.24Å; Q146-G159 WeakPolarHBondContact O-CA 3.48Å; A157-G159 PolarHBondContact O-N 3.23Å; G159-T161 PolarHBondContact O-N 2.97Å; G159-T161 PolarHBondContact O-OG1 3.45Å | ||
| 160 | Q | 87.2 | Confident | 74.4 | Confident | 50 Ų | 50 | 63.2 Ų | 63.2 | 23% | 0.234 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 123.3 | 175.5 | -79.9 | -179.8 | 2.4 | 0 | 0 | 108.7 | R76 L77 R145 Q146 Q158 | R76-Q160 VanDerWaalsContact O-CB 3.3Å; R76-Q160 WeakPolarHBondContact O-CB 3.36Å; R76-Q160 WeakPolarHBondContact O-CG 3.48Å; L77-Q160 HydrophobicContact CD1-CB 4.33Å; R145-Q160 CarbonylContact C-O 3.51Å; R145-Q160 WeakPolarHBondContact CA-O 3.46Å; Q146-Q160 HydrophobicContact CB-CB 4.34Å; Q146-Q160 PolarHBondContact N-O 3.06Å; Q146-Q160 PolarHBondContact O-N 3.26Å; Q158-Q160 PolarHBondContact O-N 2.88Å |
| 161 | T | 91.8 | Very high | 76.1 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 30% | 0.301 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 138.2 | -176.3 | -52.9 | 0 | 0 | 0 | 0 | 110.3 | S75 R143 I144 R145 G159 | S75-T161 WeakPolarHBondContact CB-O 3.41Å; R143-T161 HydrophobicContact CG-CG2 3.76Å; I144-T161 CarbonylContact O-C 3.49Å; I144-T161 WeakPolarHBondContact O-CA 3.34Å; I144-T161 WeakPolarHBondContact O-CG2 3.39Å; R145-T161 HydrophobicContact CB-CG2 4.25Å; G159-T161 PolarHBondContact O-N 2.97Å; G159-T161 PolarHBondContact O-OG1 3.45Å |
| 162 | I | 94.4 | Very high | 78.3 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 157.7 | 167.6 | 61.2 | 176 | 0 | 0 | 0 | 109.4 | I65 E67 L77 I144 L164 | I65-I162 HydrophobicContact CB-CD1 4.37Å; I65-I162 HydrophobicContact CG2-CD1 3.72Å; E67-I162 HydrophobicContact CB-CB 4.39Å; E67-I162 HydrophobicContact CB-CG2 4.02Å; E67-I162 WeakPolarHBondContact OE2-CA 3.36Å; E67-I162 WeakPolarHBondContact OE2-CB 3.46Å; L77-I162 HydrophobicContact CB-CD1 4.16Å; L77-I162 HydrophobicContact CB-CG2 4.24Å; L77-I162 HydrophobicContact CD2-CD1 3.8Å; L77-I162 HydrophobicContact CD2-CG1 4.17Å; I144-I162 HydrophobicContact CB-CG1 3.93Å; I144-I162 HydrophobicContact CD1-CD1 3.96Å; I144-I162 HydrophobicContact CD1-CG1 3.99Å; I144-I162 PolarHBondContact N-O 3.48Å; I144-I162 PolarHBondContact O-N 2.99Å; I162-L164 HydrophobicContact CB-CD1 4.35Å; I162-L164 HydrophobicContact CD1-CD1 3.65Å; I162-L164 HydrophobicContact CG1-CD1 3.76Å |
| 163 | A | 94.4 | Very high | 81.1 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 106 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | K48 E67 F141 L142 | K48-A163 PolarHBondContact NZ-O 2.96Å; E67-A163 PolarHBondContact OE2-N 3.43Å; F141-A163 HydrophobicContact CD2-CB 4.04Å; L142-A163 CarbonylContact O-C 3.55Å; L142-A163 WeakPolarHBondContact O-CA 3.3Å |
| 164 | L | 94.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124 | -178 | -72.2 | 69.7 | 0 | 0 | 0 | 109.8 | F50 F141 L142 I144 I162 A166 L169 F172 | F50-L164 HydrophobicContact CE1-CD1 3.99Å; F50-L164 HydrophobicContact CE1-CG 3.93Å; F50-L164 HydrophobicContact CZ-CB 4.48Å; F50-L164 HydrophobicContact CZ-CD1 4.41Å; F50-L164 HydrophobicContact CZ-CG 4.01Å; F141-L164 CarbonylContact C-O 3.51Å; F141-L164 WeakPolarHBondContact CA-O 3.29Å; F141-L164 WeakPolarHBondContact CB-O 3.38Å; L142-L164 PolarHBondContact N-O 3.2Å; L142-L164 PolarHBondContact O-N 3.22Å; I144-L164 HydrophobicContact CD1-CD1 3.55Å; I144-L164 HydrophobicContact CD1-CD2 4.44Å; I162-L164 HydrophobicContact CB-CD1 4.35Å; I162-L164 HydrophobicContact CD1-CD1 3.65Å; I162-L164 HydrophobicContact CG1-CD1 3.76Å; L164-A166 PolarHBondContact O-N 2.96Å; L164-L169 HydrophobicContact CB-CD2 4.22Å; L164-L169 HydrophobicContact CD2-CD2 4.37Å; L164-F172 HydrophobicContact CD2-CB 4.21Å; L164-F172 HydrophobicContact CD2-CD1 3.72Å; L164-F172 HydrophobicContact CD2-CD2 3.56Å; L164-F172 HydrophobicContact CD2-CE1 3.96Å; L164-F172 HydrophobicContact CD2-CE2 3.76Å; L164-F172 HydrophobicContact CD2-CG 3.53Å; L164-F172 HydrophobicContact CD2-CZ 3.97Å; L164-F172 HydrophobicContact CG-CD2 4.35Å; L164-F172 HydrophobicContact CG-CE2 4.4Å |
| 165 | P | 95.6 | Very high | 85.3 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 136.8 | 170 | -21.3 | 33.1 | 0 | 0 | 0 | 111.2 | I45 Q46 K48 Q167 G168 | I45-P165 HydrophobicContact CB-CG 4.45Å; I45-P165 HydrophobicContact CG2-CB 3.72Å; I45-P165 HydrophobicContact CG2-CG 3.71Å; Q46-P165 HydrophobicContact CG-CB 4.2Å; Q46-P165 HydrophobicContact CG-CG 4.36Å; K48-P165 HydrophobicContact CD-CG 4.43Å; P165-Q167 PolarHBondContact O-N 3.44Å; P165-G168 PolarHBondContact O-N 3.48Å; P165-G168 VanDerWaalsContact O-N 3.08Å |
| 166 | A | 94.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -60.3 | -31.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y98 L133 R140 L164 G168 L169 | Y98-A166 HydrophobicContact CD2-CB 3.81Å; Y98-A166 HydrophobicContact CE1-CB 4.3Å; Y98-A166 HydrophobicContact CE2-CB 3.57Å; Y98-A166 HydrophobicContact CG-CB 4.28Å; L133-A166 HydrophobicContact CD1-CB 4.4Å; R140-A166 HydrophobicContact CB-CB 3.8Å; R140-A166 WeakPolarHBondContact O-CB 3.22Å; R140-A166 PolarHBondContact O-N 2.92Å; L164-A166 PolarHBondContact O-N 2.96Å; A166-G168 PolarHBondContact O-N 3.46Å; A166-L169 HydrophobicContact CB-CD1 4.26Å; A166-L169 WeakPolarHBondContact O-CB 3.26Å; A166-L169 WeakPolarHBondContact O-CG 3.28Å; A166-L169 PolarHBondContact O-N 2.78Å |
| 167 | Q | 93.5 | Very high | 90 | Very high | 103 Ų | 103 | 41.7 Ų | 41.7 | 48% | 0.481 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -62.4 | -23.8 | 178.9 | -63.9 | 86 | -7.6 | 0 | 0 | 113.6 | P165 | P165-Q167 PolarHBondContact O-N 3.44Š|
| 168 | G | 95.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -102.4 | 8.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P165 A166 I170 E171 F172 | P165-G168 PolarHBondContact O-N 3.48Å; P165-G168 VanDerWaalsContact O-N 3.08Å; A166-G168 PolarHBondContact O-N 3.46Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 3.23Å; G168-E171 PolarHBondContact O-N 3.4Å; G168-F172 VanDerWaalsContact O-CB 3.28Å; G168-F172 WeakPolarHBondContact O-CB 3.33Å; G168-F172 PolarHBondContact O-N 2.88Å |
| 169 | L | 96.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -38.1 | -178.1 | -69.3 | 174 | 0 | 0 | 0 | 112.3 | L91 I95 L142 L164 A166 R173 | L91-L169 HydrophobicContact CD2-CD2 3.85Å; I95-L169 HydrophobicContact CD1-CB 4.15Å; I95-L169 HydrophobicContact CG1-CB 3.63Å; L142-L169 HydrophobicContact CB-CD2 3.95Å; L142-L169 HydrophobicContact CD2-CD2 3.85Å; L164-L169 HydrophobicContact CB-CD2 4.22Å; L164-L169 HydrophobicContact CD2-CD2 4.37Å; A166-L169 HydrophobicContact CB-CD1 4.26Å; A166-L169 WeakPolarHBondContact O-CB 3.26Å; A166-L169 WeakPolarHBondContact O-CG 3.28Å; A166-L169 PolarHBondContact O-N 2.78Å; L169-R173 VanDerWaalsContact O-CB 3.28Å; L169-R173 WeakPolarHBondContact O-CB 3.43Å; L169-R173 PolarHBondContact O-N 2.82Å |
| 170 | I | 96.8 | Very high | 95.1 | Very high | 90 Ų | 90 | 36.1 Ų | 36.1 | 46% | 0.462 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.5 | -52.8 | 178.9 | -61.2 | 174.1 | 0 | 0 | 0 | 110.3 | I95 G168 F172 R173 D174 | I95-I170 HydrophobicContact CD1-CB 4.49Å; I95-I170 HydrophobicContact CD1-CG1 3.94Å; I95-I170 HydrophobicContact CG1-CG1 4.08Å; I95-I170 HydrophobicContact CG2-CD1 4.17Å; I95-I170 HydrophobicContact CG2-CG1 3.79Å; G168-I170 VanDerWaalsContact C-N 3.31Å; G168-I170 PolarHBondContact O-N 3.23Å; I170-F172 VanDerWaalsContact C-N 3.28Å; I170-F172 PolarHBondContact O-N 2.96Å; I170-R173 WeakPolarHBondContact O-CB 3.12Å; I170-R173 PolarHBondContact O-N 3.19Å; I170-R173 VanDerWaalsContact O-N 3.16Å; I170-D174 VanDerWaalsContact O-CG 3.25Å; I170-D174 PolarHBondContact O-N 3.45Å |
| 171 | E | 97.4 | Very high | 95.4 | Very high | 101 Ų | 101 | 39.5 Ų | 39.5 | 47% | 0.472 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.4 | -40.3 | 179.3 | -168.6 | -172.7 | 169.4 | 0 | 0 | 111.7 | V43 G168 D174 A175 | V43-E171 HydrophobicContact CG1-CB 4.3Å; V43-E171 HydrophobicContact CG1-CG 3.82Å; G168-E171 PolarHBondContact O-N 3.4Å; E171-D174 PolarHBondContact O-N 2.97Å; E171-A175 VanDerWaalsContact O-CB 3.29Å; E171-A175 WeakPolarHBondContact O-CB 3.15Å; E171-A175 PolarHBondContact O-N 3.23Å |
| 172 | F | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65 | -43.6 | 176.4 | -164.8 | -77.4 | 0 | 0 | 0 | 111.9 | I45 F50 L52 I65 F87 L91 L164 G168 I170 L176 | I45-F172 HydrophobicContact CD1-CB 4.36Å; I45-F172 HydrophobicContact CD1-CD2 4.3Å; F50-F172 HydrophobicContact CB-CD2 4.34Å; F50-F172 HydrophobicContact CB-CE2 3.91Å; F50-F172 HydrophobicContact CD1-CE2 4.02Å; F50-F172 HydrophobicContact CG-CD2 4.34Å; F50-F172 HydrophobicContact CG-CE2 4.01Å; L52-F172 HydrophobicContact CD1-CD2 4.3Å; L52-F172 HydrophobicContact CD1-CE2 3.68Å; L52-F172 HydrophobicContact CD1-CZ 3.98Å; L52-F172 HydrophobicContact CD2-CE1 4.15Å; L52-F172 HydrophobicContact CD2-CE2 4.38Å; L52-F172 HydrophobicContact CD2-CZ 3.99Å; L52-F172 HydrophobicContact CG-CE2 4.29Å; L52-F172 HydrophobicContact CG-CZ 4.07Å; I65-F172 HydrophobicContact CD1-CE1 4.45Å; I65-F172 HydrophobicContact CD1-CZ 4.06Å; I65-F172 HydrophobicContact CG1-CZ 4.35Å; I65-F172 HydrophobicContact CG2-CE2 4.23Å; I65-F172 HydrophobicContact CG2-CZ 3.85Å; F87-F172 AromaticContact CE1-CE1 3.88Å; F87-F172 HydrophobicContact CE1-CE1 3.88Å; F87-F172 HydrophobicContact CZ-CE1 4.38Å; L91-F172 HydrophobicContact CD1-CD1 3.85Å; L91-F172 HydrophobicContact CD1-CE1 4.38Å; L164-F172 HydrophobicContact CD2-CB 4.21Å; L164-F172 HydrophobicContact CD2-CD1 3.72Å; L164-F172 HydrophobicContact CD2-CD2 3.56Å; L164-F172 HydrophobicContact CD2-CE1 3.96Å; L164-F172 HydrophobicContact CD2-CE2 3.76Å; L164-F172 HydrophobicContact CD2-CG 3.53Å; L164-F172 HydrophobicContact CD2-CZ 3.97Å; L164-F172 HydrophobicContact CG-CD2 4.35Å; L164-F172 HydrophobicContact CG-CE2 4.4Å; G168-F172 VanDerWaalsContact O-CB 3.28Å; G168-F172 WeakPolarHBondContact O-CB 3.33Å; G168-F172 PolarHBondContact O-N 2.88Å; I170-F172 VanDerWaalsContact C-N 3.28Å; I170-F172 PolarHBondContact O-N 2.96Å; F172-L176 VanDerWaalsContact O-CB 3.29Å; F172-L176 WeakPolarHBondContact O-CB 3.48Å; F172-L176 PolarHBondContact O-N 3.49Å |
| 173 | R | 97.4 | Very high | 95.1 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 28% | 0.275 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 175.8 | -178.6 | -155.3 | 65.8 | -173.1 | -0.1 | 110.9 | R88 L91 I95 L169 I170 L176 A177 | R88-R173 HydrophobicContact CG-CG 4.15Å; L91-R173 HydrophobicContact CB-CB 4.17Å; L91-R173 HydrophobicContact CB-CG 4.2Å; L91-R173 HydrophobicContact CD1-CB 4.24Å; I95-R173 HydrophobicContact CD1-CB 4.06Å; I95-R173 HydrophobicContact CD1-CG 4.47Å; L169-R173 VanDerWaalsContact O-CB 3.28Å; L169-R173 WeakPolarHBondContact O-CB 3.43Å; L169-R173 PolarHBondContact O-N 2.82Å; I170-R173 WeakPolarHBondContact O-CB 3.12Å; I170-R173 PolarHBondContact O-N 3.19Å; I170-R173 VanDerWaalsContact O-N 3.16Å; R173-L176 WeakPolarHBondContact O-CB 3.25Å; R173-L176 PolarHBondContact O-N 2.92Å; R173-A177 WeakPolarHBondContact O-CB 3.32Å; R173-A177 PolarHBondContact O-N 3.44Å |
| 174 | D | 97.7 | Very high | 94.4 | Very high | 74 Ų | 74 | 45.4 Ų | 45.4 | 40% | 0.396 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -69.1 | -39.8 | -176.8 | -65.5 | -11 | 0 | 0 | 0 | 111.4 | I170 E171 L176 A177 K178 | I170-D174 VanDerWaalsContact O-CG 3.25Å; I170-D174 PolarHBondContact O-N 3.45Å; E171-D174 PolarHBondContact O-N 2.97Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 2.89Å; D174-A177 PolarHBondContact O-N 2.91Å; D174-K178 WeakPolarHBondContact O-CB 3.43Å; D174-K178 PolarHBondContact O-N 3.35Å |
| 175 | A | 97.3 | Very high | 93 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 7% | 0.074 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K41 V43 L52 E171 L179 | K41-A175 HydrophobicContact CG-CB 3.97Å; V43-A175 HydrophobicContact CG2-CB 3.72Å; L52-A175 HydrophobicContact CD2-CB 4.4Å; E171-A175 VanDerWaalsContact O-CB 3.29Å; E171-A175 WeakPolarHBondContact O-CB 3.15Å; E171-A175 PolarHBondContact O-N 3.23Å; A175-L179 WeakPolarHBondContact O-CG 3.48Å; A175-L179 PolarHBondContact O-N 2.95Å |
| 176 | L | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 177.5 | -179.2 | 60.6 | 0 | 0 | 0 | 111.9 | L52 L63 A84 F87 R88 L91 F172 R173 D174 K178 L179 I180 | L52-L176 HydrophobicContact CD2-CB 4.34Å; L63-L176 HydrophobicContact CD2-CD1 3.29Å; A84-L176 HydrophobicContact CB-CD1 4.29Å; F87-L176 HydrophobicContact CD1-CD2 3.61Å; F87-L176 HydrophobicContact CE1-CD2 4.06Å; F87-L176 HydrophobicContact CG-CD2 4.45Å; R88-L176 HydrophobicContact CB-CD2 3.89Å; R88-L176 HydrophobicContact CB-CG 4.24Å; L91-L176 HydrophobicContact CD1-CD2 4.05Å; F172-L176 VanDerWaalsContact O-CB 3.29Å; F172-L176 WeakPolarHBondContact O-CB 3.48Å; F172-L176 PolarHBondContact O-N 3.49Å; R173-L176 WeakPolarHBondContact O-CB 3.25Å; R173-L176 PolarHBondContact O-N 2.92Å; D174-L176 VanDerWaalsContact C-N 3.32Å; D174-L176 PolarHBondContact O-N 2.89Å; L176-K178 PolarHBondContact O-N 2.99Å; L176-L179 PolarHBondContact O-N 3.38Å; L176-I180 HydrophobicContact CD1-CD1 4.02Å; L176-I180 HydrophobicContact CD1-CG1 4.39Å; L176-I180 HydrophobicContact CG-CD1 3.78Å; L176-I180 VanDerWaalsContact O-CG1 3.3Å; L176-I180 WeakPolarHBondContact O-CG1 3.45Å; L176-I180 PolarHBondContact O-N 3.3Å |
| 177 | A | 96.3 | Very high | 89.1 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 13% | 0.132 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.6 | R88 R173 D174 L179 I180 D181 | R88-A177 HydrophobicContact CG-CB 4.09Å; R173-A177 WeakPolarHBondContact O-CB 3.32Å; R173-A177 PolarHBondContact O-N 3.44Å; D174-A177 PolarHBondContact O-N 2.91Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 2.94Å; A177-I180 CarbonylContact O-C 3.57Å; A177-I180 WeakPolarHBondContact O-CA 3.09Å; A177-I180 WeakPolarHBondContact O-CB 3.48Å; A177-I180 PolarHBondContact O-N 3.38Å; A177-D181 PolarHBondContact O-N 3.12Å |
| 178 | K | 95.4 | Very high | 86.8 | Confident | 131 Ų | 131 | 65.4 Ų | 65.4 | 57% | 0.57 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.8 | -43.6 | 176.4 | -176.5 | 173 | -178.3 | 173.5 | 0 | 112.8 | D174 L176 I180 D181 D182 | D174-K178 WeakPolarHBondContact O-CB 3.43Å; D174-K178 PolarHBondContact O-N 3.35Å; L176-K178 PolarHBondContact O-N 2.99Å; K178-I180 VanDerWaalsContact C-N 3.28Å; K178-I180 PolarHBondContact O-N 3.18Å; K178-D181 PolarHBondContact O-N 3.32Å; K178-D182 WeakPolarHBondContact CE-OD2 3.23Å; K178-D182 WeakPolarHBondContact O-CB 3.45Å; K178-D182 VanDerWaalsContact O-CG 3.28Å; K178-D182 PolarHBondContact O-N 3.39Å |
| 179 | L | 94.6 | Very high | 84.7 | Confident | 12 Ų | 12 | 70.1 Ų | 70.1 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.1 | -31.6 | 177.4 | -71.6 | 173.5 | 0 | 0 | 0 | 112.6 | A39 K41 L52 V54 L63 A175 L176 A177 Y183 | A39-L179 HydrophobicContact CB-CD2 3.85Å; K41-L179 HydrophobicContact CB-CD1 4.04Å; K41-L179 HydrophobicContact CB-CD2 4.49Å; L52-L179 HydrophobicContact CB-CD1 3.66Å; L52-L179 HydrophobicContact CD2-CD1 4.15Å; V54-L179 HydrophobicContact CG2-CB 4.03Å; V54-L179 HydrophobicContact CG2-CD1 4.19Å; V54-L179 HydrophobicContact CG2-CD2 3.95Å; V54-L179 HydrophobicContact CG2-CG 4.28Å; L63-L179 HydrophobicContact CD1-CD1 4.2Å; A175-L179 WeakPolarHBondContact O-CG 3.48Å; A175-L179 PolarHBondContact O-N 2.95Å; L176-L179 PolarHBondContact O-N 3.38Å; A177-L179 VanDerWaalsContact C-N 3.33Å; A177-L179 PolarHBondContact O-N 2.94Å; L179-Y183 HydrophobicContact CD2-CD2 4.3Å; L179-Y183 HydrophobicContact CD2-CE2 4.42Å; L179-Y183 WeakPolarHBondContact O-CA 3.38Å; L179-Y183 WeakPolarHBondContact O-CB 3.42Å; L179-Y183 PolarHBondContact O-N 3.37Å |
| 180 | I | 92.6 | Very high | 82.7 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 8% | 0.082 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -73.8 | -37.3 | 174.5 | -70 | 163.9 | 0 | 0 | 0 | 110.8 | M81 A84 V85 R88 L176 A177 K178 G184 | M81-I180 HydrophobicContact CE-CG1 4.19Å; A84-I180 HydrophobicContact CB-CD1 4.22Å; A84-I180 HydrophobicContact CB-CG1 4.42Å; A84-I180 WeakPolarHBondContact O-CD1 3.17Å; V85-I180 HydrophobicContact CG2-CD1 4.39Å; V85-I180 HydrophobicContact CG2-CG2 3.82Å; R88-I180 HydrophobicContact CB-CD1 3.96Å; R88-I180 HydrophobicContact CG-CD1 4.42Å; L176-I180 HydrophobicContact CD1-CD1 4.02Å; L176-I180 HydrophobicContact CD1-CG1 4.39Å; L176-I180 HydrophobicContact CG-CD1 3.78Å; L176-I180 VanDerWaalsContact O-CG1 3.3Å; L176-I180 WeakPolarHBondContact O-CG1 3.45Å; L176-I180 PolarHBondContact O-N 3.3Å; A177-I180 CarbonylContact O-C 3.57Å; A177-I180 WeakPolarHBondContact O-CA 3.09Å; A177-I180 WeakPolarHBondContact O-CB 3.48Å; A177-I180 PolarHBondContact O-N 3.38Å; K178-I180 VanDerWaalsContact C-N 3.28Å; K178-I180 PolarHBondContact O-N 3.18Å; I180-G184 WeakPolarHBondContact O-CA 3.28Å; I180-G184 PolarHBondContact O-N 2.91Å |
| 181 | D | 92.3 | Very high | 80.8 | Confident | 122 Ų | 122 | 77.4 Ų | 77.4 | 65% | 0.652 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -70.7 | -41.8 | 178.1 | -61.4 | -22.3 | 0 | 0 | 0 | 110.5 | A177 K178 | A177-D181 PolarHBondContact O-N 3.12Å; K178-D181 PolarHBondContact O-N 3.32Å |
| 182 | D | 92.1 | Very high | 79.6 | Confident | 96 Ų | 96 | 75.1 Ų | 75.1 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -76.9 | -34.8 | -178.7 | -68.2 | -20.3 | 0 | 0 | 0 | 112.7 | K178 | K178-D182 WeakPolarHBondContact CE-OD2 3.23Å; K178-D182 WeakPolarHBondContact O-CB 3.45Å; K178-D182 VanDerWaalsContact O-CG 3.28Å; K178-D182 PolarHBondContact O-N 3.39Å |
| 183 | Y | 88.7 | Confident | 78.7 | Confident | 71 Ų | 71 | 79.1 Ų | 79.1 | 28% | 0.278 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -134 | 13.5 | -171.2 | -54.1 | -89.6 | 0 | 0 | 0 | 114 | L38 A39 V54 R61 L179 V185 | L38-Y183 HydrophobicContact CB-CD1 3.98Å; L38-Y183 HydrophobicContact CB-CE1 3.94Å; L38-Y183 HydrophobicContact CD1-CD1 4.26Å; L38-Y183 PolarHBondContact O-OH 2.86Å; A39-Y183 HydrophobicContact CB-CD2 4.01Å; A39-Y183 HydrophobicContact CB-CE1 4.33Å; A39-Y183 HydrophobicContact CB-CE2 3.43Å; A39-Y183 VanDerWaalsContact CB-CE2 3.43Å; V54-Y183 HydrophobicContact CG1-CG 4.29Å; R61-Y183 WeakPolarHBondContact CD-O 3.43Å; R61-Y183 VanDerWaalsContact NH1-C 3.29Å; R61-Y183 PolarHBondContact NH1-O 3.31Å; L179-Y183 HydrophobicContact CD2-CD2 4.3Å; L179-Y183 HydrophobicContact CD2-CE2 4.42Å; L179-Y183 WeakPolarHBondContact O-CA 3.38Å; L179-Y183 WeakPolarHBondContact O-CB 3.42Å; L179-Y183 PolarHBondContact O-N 3.37Å; Y183-V185 PolarHBondContact O-N 3.48Å |
| 184 | G | 78.4 | Confident | 77.6 | Confident | 26 Ų | 26 | 84.5 Ų | 84.5 | 27% | 0.268 | 45% | 0.449 | S | S | . | . | trans | -50.3 | 137.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | R61 I180 D186 | R61-G184 PolarHBondContact NH1-O 2.82Å; I180-G184 WeakPolarHBondContact O-CA 3.28Å; I180-G184 PolarHBondContact O-N 2.91Å; G184-D186 PolarHBondContact O-N 2.89Å | ||
| 185 | V | 66.4 | Low | 76.7 | Confident | 73 Ų | 73 | 82.8 Ų | 82.8 | 44% | 0.442 | 45% | 0.449 | S | S | . | . | trans | -80.4 | 111.7 | 163.9 | -165.9 | 0 | 0 | 0 | 0 | 102.7 | R61 M81 Y183 E187 | R61-V185 HydrophobicContact CB-CG2 3.84Å; M81-V185 HydrophobicContact CB-CG2 4.18Å; M81-V185 HydrophobicContact CG-CG2 4.05Å; Y183-V185 PolarHBondContact O-N 3.48Å; V185-E187 HydrophobicContact CB-CG 4.43Å; V185-E187 HydrophobicContact CG1-CG 3.95Å; V185-E187 PolarHBondContact O-N 2.9Å | ||
| 186 | D | 54.1 | Low | 76.2 | Confident | 160 Ų | 160 | 87 Ų | 87 | 86% | 0.856 | 47% | 0.474 | S | S | * | . | trans | -59.5 | 78.7 | 149.7 | -73 | -38 | 0 | 0 | 0 | 104.7 | G184 E188 | G184-D186 PolarHBondContact O-N 2.89Å; D186-E188 PolarHBondContact O-N 2.85Å | ||
| 187 | E | 53.5 | Low | 76 | Confident | 141 Ų | 141 | 89.8 Ų | 89.8 | 66% | 0.659 | 49% | 0.494 | S | S | * | . | trans | -66.8 | 73.2 | 154.4 | -91.1 | -170.5 | 154.2 | 0 | 0 | 103.8 | V185 P189 | V185-E187 HydrophobicContact CB-CG 4.43Å; V185-E187 HydrophobicContact CG1-CG 3.95Å; V185-E187 PolarHBondContact O-N 2.9Å; E187-P189 WeakPolarHBondContact O-CD 3.08Å | ||
| 188 | E | 46.8 | Very low | 75.8 | Confident | 158 Ų | 158 | 92.7 Ų | 92.7 | 74% | 0.738 | 51% | 0.506 | S | S | * | . | trans | -53.2 | 106.2 | 138.5 | -159.3 | 169.7 | -141.4 | 0 | 0 | 102.3 | D186 A190 | D186-E188 PolarHBondContact O-N 2.85Å; E188-A190 PolarHBondContact O-N 3.18Å | ||
| 189 | P | 51.2 | Low | 75.7 | Confident | 102 Ų | 102 | 90.7 Ų | 90.7 | 66% | 0.662 | 51% | 0.505 | S | S | * | . | trans | -52.6 | 125.3 | 178.7 | -13.4 | 25.7 | 0 | 0 | 0 | 103.5 | E187 E191 | E187-P189 WeakPolarHBondContact O-CD 3.08Å; P189-E191 PolarHBondContact O-N 3.45Å | ||
| 190 | A | 54 | Low | 75.5 | Confident | 57 Ų | 57 | 93.5 Ų | 93.5 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | trans | -41.6 | 121.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | E188 L192 | E188-A190 PolarHBondContact O-N 3.18Å; A190-L192 HydrophobicContact CB-CD2 4.31Å; A190-L192 HydrophobicContact CB-CG 4.14Å; A190-L192 VanDerWaalsContact O-CG 3.27Å; A190-L192 WeakPolarHBondContact O-CG 3.33Å; A190-L192 PolarHBondContact O-N 2.82Å | ||
| 191 | E | 56.8 | Low | 75.4 | Confident | 188 Ų | 188 | 100.2 Ų | 100.2 | 88% | 0.879 | 56% | 0.559 | S | S | * | * | trans | -63.4 | 90.5 | -175.4 | -75.7 | -168.7 | 157.6 | 0 | 0 | 106.8 | P189 | P189-E191 PolarHBondContact O-N 3.45Š| ||
| 192 | L | 73.3 | Confident | 75.2 | Confident | 53 Ų | 53 | 100 Ų | 100 | 28% | 0.277 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -98.8 | 139 | -177.2 | -69 | -178.9 | 0 | 0 | 0 | 106.7 | A190 V209 G210 V216 | A190-L192 HydrophobicContact CB-CD2 4.31Å; A190-L192 HydrophobicContact CB-CG 4.14Å; A190-L192 VanDerWaalsContact O-CG 3.27Å; A190-L192 WeakPolarHBondContact O-CG 3.33Å; A190-L192 PolarHBondContact O-N 2.82Å; L192-V209 HydrophobicContact CB-CG1 4.27Å; L192-V209 HydrophobicContact CD1-CG1 4.33Å; L192-V209 HydrophobicContact CD2-CG1 4Å; L192-V209 HydrophobicContact CG-CG1 4.41Å; L192-G210 VanDerWaalsContact CD1-C 3.45Å; L192-V216 HydrophobicContact CD2-CG1 3.94Å; L192-V216 HydrophobicContact CD2-CG2 4.02Å |
| 193 | P | 77 | Confident | 75.3 | Confident | 84 Ų | 84 | 98.6 Ų | 98.6 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 143.4 | 179.4 | 25.2 | -33.8 | 0 | 0 | 0 | 110.4 | G195 V209 | P193-G195 PolarHBondContact O-N 2.88Å; P193-V209 HydrophobicContact CG-CB 3.97Å; P193-V209 HydrophobicContact CG-CG1 4.18Å; P193-V209 HydrophobicContact CG-CG2 3.81Å |
| 194 | E | 74.3 | Confident | 75.5 | Confident | 185 Ų | 185 | 101.1 Ų | 101.1 | 86% | 0.864 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 136 | 176.5 | -164.5 | 176.5 | -179.8 | 0 | 0 | 110.3 | ||
| 195 | G | 80.2 | Confident | 76.4 | Confident | 39 Ų | 39 | 102.3 Ų | 102.3 | 40% | 0.402 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 140.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P193 F207 | P193-G195 PolarHBondContact O-N 2.88Å; G195-F207 WeakPolarHBondContact CA-O 3.49Å |
| 196 | T | 86.6 | Confident | 77.6 | Confident | 96 Ų | 96 | 101.6 Ų | 101.6 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 153.1 | 176.4 | -62.5 | 0 | 0 | 0 | 0 | 110.2 | F207 | T196-F207 PolarHBondContact N-O 2.73Å; T196-F207 VanDerWaalsContact N-O 3.15Å; T196-F207 PolarHBondContact O-N 3.23Å |
| 197 | S | 90.8 | Very high | 79.6 | Confident | 60 Ų | 60 | 97 Ų | 97 | 42% | 0.42 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 152 | 171.2 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | F205 | S197-F205 CarbonylContact C-O 3.48Å; S197-F205 WeakPolarHBondContact CA-O 3.26Å; S197-F205 WeakPolarHBondContact CB-O 3.34Å |
| 198 | L | 93.1 | Very high | 81.4 | Confident | 77 Ų | 77 | 92.2 Ų | 92.2 | 40% | 0.403 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.2 | 173.3 | 60.5 | 94.7 | 0 | 0 | 0 | 109.7 | V200 R204 F205 F207 | L198-V200 HydrophobicContact CD1-CG2 3.74Å; L198-R204 WeakPolarHBondContact O-CA 3.44Å; L198-F205 HydrophobicContact CD1-CB 3.99Å; L198-F205 HydrophobicContact CD1-CD2 3.73Å; L198-F205 HydrophobicContact CD1-CG 4.23Å; L198-F205 HydrophobicContact CG-CB 4.07Å; L198-F205 PolarHBondContact N-O 2.84Å; L198-F205 PolarHBondContact O-N 3.29Å; L198-F207 HydrophobicContact CD2-CD2 4.46Å; L198-F207 HydrophobicContact CD2-CE2 3.49Å; L198-F207 VanDerWaalsContact CD2-CE2 3.49Å; L198-F207 HydrophobicContact CD2-CZ 3.99Å; L198-F207 HydrophobicContact CG-CE2 3.96Å |
| 199 | T | 92.4 | Very high | 83.4 | Confident | 89 Ų | 89 | 86 Ų | 86 | 55% | 0.546 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.3 | 178.7 | -57.6 | 0 | 0 | 0 | 0 | 108.7 | K203 | T199-K203 WeakPolarHBondContact CA-O 3.2Å |
| 200 | V | 91.8 | Very high | 85 | Confident | 71 Ų | 71 | 82 Ų | 82 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 121.8 | 176.2 | -178.6 | 0 | 0 | 0 | 0 | 107.3 | L198 N202 K203 | L198-V200 HydrophobicContact CD1-CG2 3.74Å; V200-N202 PolarHBondContact O-N 2.86Å; V200-K203 PolarHBondContact N-O 2.88Å; V200-K203 WeakPolarHBondContact O-CA 3.41Å; V200-K203 WeakPolarHBondContact O-CB 3.35Å; V200-K203 PolarHBondContact O-N 2.81Å; V200-K203 VanDerWaalsContact O-O 3.07Å |
| 201 | D | 88.9 | Confident | 86.3 | Confident | 157 Ų | 157 | 82.5 Ų | 82.5 | 84% | 0.84 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | -125.7 | -172.6 | -51.8 | -42.7 | 0 | 0 | 0 | 111.9 | K203 | D201-K203 VanDerWaalsContact C-N 3.33Š|
| 202 | N | 89.6 | Confident | 87 | Confident | 116 Ų | 116 | 77.1 Ų | 77.1 | 62% | 0.62 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 26.5 | 175.2 | -166.4 | 26.3 | 0 | 0 | 0 | 112.7 | V200 | V200-N202 PolarHBondContact O-N 2.86Š|
| 203 | K | 92.6 | Very high | 86.4 | Confident | 68 Ų | 68 | 79.5 Ų | 79.5 | 30% | 0.296 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.9 | 178.3 | -59.5 | -177.6 | -177 | -152.9 | 0 | 110.5 | T199 V200 D201 F205 E222 V223 K224 | T199-K203 WeakPolarHBondContact CA-O 3.2Å; V200-K203 PolarHBondContact N-O 2.88Å; V200-K203 WeakPolarHBondContact O-CA 3.41Å; V200-K203 WeakPolarHBondContact O-CB 3.35Å; V200-K203 PolarHBondContact O-N 2.81Å; V200-K203 VanDerWaalsContact O-O 3.07Å; D201-K203 VanDerWaalsContact C-N 3.33Å; K203-F205 HydrophobicContact CB-CE2 3.92Å; K203-F205 HydrophobicContact CB-CZ 4.37Å; K203-F205 HydrophobicContact CD-CE2 4.21Å; K203-F205 HydrophobicContact CD-CZ 3.97Å; K203-E222 HydrophobicContact CD-CG 4.23Å; K203-E222 VanDerWaalsContact CD-OE1 3.25Å; K203-E222 WeakPolarHBondContact CD-OE1 3.43Å; K203-E222 WeakPolarHBondContact CE-OE1 3.24Å; K203-E222 IonicContact NZ-OE1 3.28Å; K203-E222 PolarHBondContact NZ-OE1 2.97Å; K203-E222 IonicContact NZ-OE2 3.41Å; K203-V223 WeakPolarHBondContact CA-O 3.44Å; K203-K224 HydrophobicContact CG-CD 4.42Å; K203-K224 HydrophobicContact CG-CG 4.02Å |
| 204 | R | 94.1 | Very high | 86.1 | Confident | 123 Ų | 123 | 84.5 Ų | 84.5 | 46% | 0.464 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128 | 167.9 | -168 | 176.6 | -66.8 | 172.8 | 4.2 | 109.7 | L198 F206 V223 | L198-R204 WeakPolarHBondContact O-CA 3.44Å; R204-F206 HydrophobicContact CB-CE2 4.08Å; R204-F206 HydrophobicContact CG-CD2 4.22Å; R204-F206 HydrophobicContact CG-CE2 3.7Å; R204-F206 HydrophobicContact CG-CZ 3.95Å; R204-V223 PolarHBondContact N-O 2.84Å; R204-V223 PolarHBondContact O-N 2.86Å |
| 205 | F | 96.3 | Very high | 86.3 | Confident | 51 Ų | 51 | 77.4 Ų | 77.4 | 22% | 0.224 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 126.2 | 174.5 | -63.5 | -89.7 | 0 | 0 | 0 | 109.3 | S197 L198 K203 F207 S221 E222 | S197-F205 CarbonylContact C-O 3.48Å; S197-F205 WeakPolarHBondContact CA-O 3.26Å; S197-F205 WeakPolarHBondContact CB-O 3.34Å; L198-F205 HydrophobicContact CD1-CB 3.99Å; L198-F205 HydrophobicContact CD1-CD2 3.73Å; L198-F205 HydrophobicContact CD1-CG 4.23Å; L198-F205 HydrophobicContact CG-CB 4.07Å; L198-F205 PolarHBondContact N-O 2.84Å; L198-F205 PolarHBondContact O-N 3.29Å; K203-F205 HydrophobicContact CB-CE2 3.92Å; K203-F205 HydrophobicContact CB-CZ 4.37Å; K203-F205 HydrophobicContact CD-CE2 4.21Å; K203-F205 HydrophobicContact CD-CZ 3.97Å; F205-F207 HydrophobicContact CB-CE2 3.86Å; F205-F207 HydrophobicContact CB-CZ 4.34Å; F205-S221 CarbonylContact C-O 3.53Å; F205-S221 WeakPolarHBondContact CA-O 3.44Å; F205-E222 HydrophobicContact CD1-CB 4Å; F205-E222 HydrophobicContact CD1-CG 4.31Å; F205-E222 HydrophobicContact CE1-CB 3.71Å; F205-E222 HydrophobicContact CE1-CG 3.7Å; F205-E222 HydrophobicContact CZ-CG 4.05Å |
| 206 | F | 93 | Very high | 86.6 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 25% | 0.254 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 137.9 | 175.6 | -65.7 | -95.7 | 0 | 0 | 0 | 110 | R204 V220 S221 V223 | R204-F206 HydrophobicContact CB-CE2 4.08Å; R204-F206 HydrophobicContact CG-CD2 4.22Å; R204-F206 HydrophobicContact CG-CE2 3.7Å; R204-F206 HydrophobicContact CG-CZ 3.95Å; F206-V220 CarbonylContact O-C 3.53Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.33Å; F206-S221 PolarHBondContact N-O 3.19Å; F206-S221 PolarHBondContact O-N 2.89Å; F206-V223 HydrophobicContact CD2-CB 4.41Å; F206-V223 HydrophobicContact CD2-CG2 3.68Å; F206-V223 HydrophobicContact CE2-CB 4.06Å; F206-V223 HydrophobicContact CE2-CG2 3.67Å |
| 207 | F | 95.6 | Very high | 86.9 | Confident | 65 Ų | 65 | 74.9 Ų | 74.9 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 86.8 | 178.1 | -61.2 | -98.3 | 0 | 0 | 0 | 107.9 | G195 T196 L198 F205 M218 V220 | G195-F207 WeakPolarHBondContact CA-O 3.49Å; T196-F207 PolarHBondContact N-O 2.73Å; T196-F207 VanDerWaalsContact N-O 3.15Å; T196-F207 PolarHBondContact O-N 3.23Å; L198-F207 HydrophobicContact CD2-CD2 4.46Å; L198-F207 HydrophobicContact CD2-CE2 3.49Å; L198-F207 VanDerWaalsContact CD2-CE2 3.49Å; L198-F207 HydrophobicContact CD2-CZ 3.99Å; L198-F207 HydrophobicContact CG-CE2 3.96Å; F205-F207 HydrophobicContact CB-CE2 3.86Å; F205-F207 HydrophobicContact CB-CZ 4.34Å; F207-M218 HydrophobicContact CB-SD 4.42Å; F207-M218 HydrophobicContact CD1-SD 4.1Å; F207-V220 HydrophobicContact CD1-CG1 4.1Å; F207-V220 HydrophobicContact CD1-CG2 3.85Å; F207-V220 HydrophobicContact CE1-CG1 3.75Å; F207-V220 HydrophobicContact CE1-CG2 4.08Å; F207-V220 HydrophobicContact CZ-CG1 4.18Å |
| 208 | D | 91.6 | Very high | 87.1 | Confident | 40 Ų | 40 | 74.5 Ų | 74.5 | 21% | 0.214 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 120.6 | -176.6 | -49.9 | -42.9 | 0 | 0 | 0 | 109.4 | M218 R219 | D208-M218 CarbonylContact O-C 3.53Å; D208-M218 WeakPolarHBondContact O-CA 3.29Å; D208-R219 HydrophobicContact CB-CB 4.48Å; D208-R219 PolarHBondContact N-O 3.09Å; D208-R219 PolarHBondContact O-N 2.85Å; D208-R219 IonicContact OD2-CZ 3.7Å; D208-R219 IonicContact OD2-NE 3.54Å; D208-R219 PolarHBondContact OD2-NE 3.49Å; D208-R219 IonicContact OD2-NH2 2.7Å; D208-R219 PolarHBondContact OD2-NH2 3.42Å |
| 209 | V | 88.9 | Confident | 87.2 | Confident | 27 Ų | 27 | 75.1 Ų | 75.1 | 16% | 0.164 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.2 | 167.6 | -178.1 | 0 | 0 | 0 | 0 | 108.6 | L192 P193 V216 F217 M218 W238 | L192-V209 HydrophobicContact CB-CG1 4.27Å; L192-V209 HydrophobicContact CD1-CG1 4.33Å; L192-V209 HydrophobicContact CD2-CG1 4Å; L192-V209 HydrophobicContact CG-CG1 4.41Å; P193-V209 HydrophobicContact CG-CB 3.97Å; P193-V209 HydrophobicContact CG-CG1 4.18Å; P193-V209 HydrophobicContact CG-CG2 3.81Å; V209-V216 HydrophobicContact CG1-CG1 3.68Å; V209-F217 WeakPolarHBondContact CA-O 3.49Å; V209-M218 HydrophobicContact CG2-CE 3.97Å; V209-W238 HydrophobicContact CG1-CH2 3.84Å; V209-W238 HydrophobicContact CG1-CZ2 4.41Å; V209-W238 HydrophobicContact CG2-CH2 4.14Å |
| 210 | G | 84.8 | Confident | 87.3 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 19% | 0.186 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 160.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | L192 V216 F217 | L192-G210 VanDerWaalsContact CD1-C 3.45Å; G210-V216 CarbonylContact O-C 3.52Å; G210-V216 WeakPolarHBondContact O-CA 3.32Å; G210-F217 PolarHBondContact N-O 2.9Å; G210-F217 VanDerWaalsContact O-CD1 3.29Å; G210-F217 WeakPolarHBondContact O-CD1 3.2Å; G210-F217 PolarHBondContact O-N 2.82Å; G210-F217 VanDerWaalsContact O-O 3.06Å |
| 211 | S | 80.6 | Confident | 87.5 | Confident | 68 Ų | 68 | 68.9 Ų | 68.9 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 146.5 | 169.9 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | ||
| 212 | N | 72.5 | Confident | 87.7 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 40% | 0.396 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | -177.3 | 165 | 65.5 | 37.4 | 0 | 0 | 0 | 108.6 | Y214 G215 F217 | N212-Y214 PolarHBondContact O-N 2.8Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.45Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.28Å; N212-Y214 PolarHBondContact OD1-N 3.16Å; N212-G215 PolarHBondContact N-O 2.96Å; N212-G215 VanDerWaalsContact N-O 3.11Å; N212-G215 PolarHBondContact O-N 3.33Å; N212-F217 HydrophobicContact CB-CD1 4.48Å; N212-F217 HydrophobicContact CB-CE1 3.94Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.47Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.3Å |
| 213 | K | 60.1 | Low | 87.9 | Confident | 103 Ų | 103 | 59.8 Ų | 59.8 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -14.8 | 178.3 | 67.4 | 177.9 | -172.3 | 158.5 | 0 | 116 | K59 | K59-K213 HydrophobicContact CB-CD 4.18Å; K59-K213 HydrophobicContact CG-CD 3.74Å |
| 214 | Y | 71 | Confident | 87.9 | Confident | 189 Ų | 189 | 60.3 Ų | 60.3 | 74% | 0.741 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 2.3 | 176.9 | -58.6 | -70.1 | 0 | 0 | 0 | 112.8 | N212 | N212-Y214 PolarHBondContact O-N 2.8Å; N212-Y214 WeakPolarHBondContact OD1-CA 3.45Å; N212-Y214 VanDerWaalsContact OD1-CB 3.31Å; N212-Y214 WeakPolarHBondContact OD1-CB 3.28Å; N212-Y214 PolarHBondContact OD1-N 3.16Å |
| 215 | G | 77.1 | Confident | 87.5 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 37% | 0.371 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.3 | -172.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N212 | N212-G215 PolarHBondContact N-O 2.96Å; N212-G215 VanDerWaalsContact N-O 3.11Å; N212-G215 PolarHBondContact O-N 3.33Å |
| 216 | V | 88.3 | Confident | 87.2 | Confident | 49 Ų | 49 | 63.9 Ų | 63.9 | 30% | 0.297 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 140.2 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | L192 V209 G210 C235 W238 | L192-V216 HydrophobicContact CD2-CG1 3.94Å; L192-V216 HydrophobicContact CD2-CG2 4.02Å; V209-V216 HydrophobicContact CG1-CG1 3.68Å; G210-V216 CarbonylContact O-C 3.52Å; G210-V216 WeakPolarHBondContact O-CA 3.32Å; V216-C235 HydrophobicContact CB-CB 3.89Å; V216-C235 HydrophobicContact CG1-CB 4.21Å; V216-C235 WeakPolarHBondContact O-CB 3.3Å; V216-C235 PolarHBondContact O-N 3.17Å; V216-W238 HydrophobicContact CG1-CH2 3.72Å; V216-W238 HydrophobicContact CG1-CZ2 4.11Å |
| 217 | F | 92.3 | Very high | 86.8 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 158.4 | 178.2 | 67.4 | -90.4 | 0 | 0 | 0 | 110.8 | V209 G210 N212 R219 T232 V233 | V209-F217 WeakPolarHBondContact CA-O 3.49Å; G210-F217 PolarHBondContact N-O 2.9Å; G210-F217 VanDerWaalsContact O-CD1 3.29Å; G210-F217 WeakPolarHBondContact O-CD1 3.2Å; G210-F217 PolarHBondContact O-N 2.82Å; G210-F217 VanDerWaalsContact O-O 3.06Å; N212-F217 HydrophobicContact CB-CD1 4.48Å; N212-F217 HydrophobicContact CB-CE1 3.94Å; N212-F217 WeakPolarHBondContact ND2-CD1 3.47Å; N212-F217 WeakPolarHBondContact ND2-CE1 3.3Å; F217-R219 HydrophobicContact CD2-CB 4.49Å; F217-R219 HydrophobicContact CE2-CB 4.24Å; F217-T232 HydrophobicContact CB-CG2 3.84Å; F217-T232 HydrophobicContact CD2-CG2 3.53Å; F217-T232 HydrophobicContact CE2-CG2 4.29Å; F217-T232 HydrophobicContact CG-CG2 3.81Å; F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.46Å |
| 218 | M | 94.6 | Very high | 86.7 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.3 | 171.4 | -177.2 | -179.4 | -70.3 | 0 | 0 | 108 | F207 D208 V209 V220 V233 W238 | F207-M218 HydrophobicContact CB-SD 4.42Å; F207-M218 HydrophobicContact CD1-SD 4.1Å; D208-M218 CarbonylContact O-C 3.53Å; D208-M218 WeakPolarHBondContact O-CA 3.29Å; V209-M218 HydrophobicContact CG2-CE 3.97Å; M218-V220 HydrophobicContact CG-CG2 4.2Å; M218-V220 HydrophobicContact SD-CG2 4.2Å; M218-V233 PolarHBondContact N-O 2.84Å; M218-V233 PolarHBondContact O-N 2.82Å; M218-W238 HydrophobicContact CB-CZ2 3.65Å |
| 219 | R | 94.7 | Very high | 86.7 | Confident | 90 Ų | 90 | 72.6 Ų | 72.6 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 115.6 | 171 | -175.1 | 176.8 | 60.8 | -149.4 | -3.9 | 108.8 | D208 F217 I231 | D208-R219 HydrophobicContact CB-CB 4.48Å; D208-R219 PolarHBondContact N-O 3.09Å; D208-R219 PolarHBondContact O-N 2.85Å; D208-R219 IonicContact OD2-CZ 3.7Å; D208-R219 IonicContact OD2-NE 3.54Å; D208-R219 PolarHBondContact OD2-NE 3.49Å; D208-R219 IonicContact OD2-NH2 2.7Å; D208-R219 PolarHBondContact OD2-NH2 3.42Å; F217-R219 HydrophobicContact CD2-CB 4.49Å; F217-R219 HydrophobicContact CE2-CB 4.24Å; R219-I231 WeakPolarHBondContact CA-O 3.38Å |
| 220 | V | 95.5 | Very high | 87 | Confident | 29 Ų | 29 | 74 Ų | 74 | 18% | 0.176 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 112.3 | 173.8 | -173.5 | 0 | 0 | 0 | 0 | 107.7 | F206 F207 M218 S230 I231 | F206-V220 CarbonylContact O-C 3.53Å; F206-V220 VanDerWaalsContact O-CA 3.27Å; F206-V220 WeakPolarHBondContact O-CA 3.33Å; F207-V220 HydrophobicContact CD1-CG1 4.1Å; F207-V220 HydrophobicContact CD1-CG2 3.85Å; F207-V220 HydrophobicContact CE1-CG1 3.75Å; F207-V220 HydrophobicContact CE1-CG2 4.08Å; F207-V220 HydrophobicContact CZ-CG1 4.18Å; M218-V220 HydrophobicContact CG-CG2 4.2Å; M218-V220 HydrophobicContact SD-CG2 4.2Å; V220-S230 VanDerWaalsContact O-CA 3.24Å; V220-S230 WeakPolarHBondContact O-CA 3.31Å; V220-I231 HydrophobicContact CB-CD1 4.44Å; V220-I231 HydrophobicContact CB-CG1 3.92Å; V220-I231 PolarHBondContact N-O 2.81Å; V220-I231 PolarHBondContact O-N 2.85Å |
| 221 | S | 95.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 126.7 | -178.2 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | F205 F206 N229 | F205-S221 CarbonylContact C-O 3.53Å; F205-S221 WeakPolarHBondContact CA-O 3.44Å; F206-S221 PolarHBondContact N-O 3.19Å; F206-S221 PolarHBondContact O-N 2.89Å; S221-N229 CarbonylContact C-O 3.53Å; S221-N229 VanDerWaalsContact CA-O 3.25Å; S221-N229 WeakPolarHBondContact CA-O 3.45Å |
| 222 | E | 94.4 | Very high | 88.2 | Confident | 43 Ų | 43 | 78 Ų | 78 | 20% | 0.201 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 124 | 163.7 | -179.8 | -176.6 | 157.8 | 0 | 0 | 108.9 | K203 F205 R228 N229 | K203-E222 HydrophobicContact CD-CG 4.23Å; K203-E222 VanDerWaalsContact CD-OE1 3.25Å; K203-E222 WeakPolarHBondContact CD-OE1 3.43Å; K203-E222 WeakPolarHBondContact CE-OE1 3.24Å; K203-E222 IonicContact NZ-OE1 3.28Å; K203-E222 PolarHBondContact NZ-OE1 2.97Å; K203-E222 IonicContact NZ-OE2 3.41Å; F205-E222 HydrophobicContact CD1-CB 4Å; F205-E222 HydrophobicContact CD1-CG 4.31Å; F205-E222 HydrophobicContact CE1-CB 3.71Å; F205-E222 HydrophobicContact CE1-CG 3.7Å; F205-E222 HydrophobicContact CZ-CG 4.05Å; E222-R228 WeakPolarHBondContact O-CA 3.4Å; E222-N229 PolarHBondContact N-O 2.81Å; E222-N229 PolarHBondContact O-N 3.48Å |
| 223 | V | 93.1 | Very high | 89.3 | Confident | 39 Ų | 39 | 75 Ų | 75 | 24% | 0.236 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.2 | -178.9 | -175 | 0 | 0 | 0 | 0 | 110.5 | K203 R204 F206 R228 | K203-V223 WeakPolarHBondContact CA-O 3.44Å; R204-V223 PolarHBondContact N-O 2.84Å; R204-V223 PolarHBondContact O-N 2.86Å; F206-V223 HydrophobicContact CD2-CB 4.41Å; F206-V223 HydrophobicContact CD2-CG2 3.68Å; F206-V223 HydrophobicContact CE2-CB 4.06Å; F206-V223 HydrophobicContact CE2-CG2 3.67Å; V223-R228 HydrophobicContact CG2-CG 4.01Å |
| 224 | K | 91.3 | Very high | 90.9 | Very high | 79 Ų | 79 | 72.9 Ų | 72.9 | 34% | 0.343 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 165.3 | 166 | -69.3 | -174.1 | 176.9 | -177 | 0 | 108.9 | K203 T226 Y227 | K203-K224 HydrophobicContact CG-CD 4.42Å; K203-K224 HydrophobicContact CG-CG 4.02Å; K224-T226 PolarHBondContact O-N 3.42Å; K224-T226 VanDerWaalsContact O-N 3.11Å; K224-Y227 PolarHBondContact N-O 3.13Å; K224-Y227 PolarHBondContact O-N 3.02Å; K224-Y227 VanDerWaalsContact O-O 3.05Å |
| 225 | P | 86.8 | Confident | 91.9 | Very high | 111 Ų | 111 | 66.5 Ų | 66.5 | 72% | 0.721 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -34.4 | 177.1 | -28.9 | 36.1 | 0 | 0 | 0 | 114.6 | ||
| 226 | T | 88.9 | Confident | 92.6 | Very high | 139 Ų | 139 | 74 Ų | 74 | 85% | 0.853 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -6.2 | -175.5 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | K224 | K224-T226 PolarHBondContact O-N 3.42Å; K224-T226 VanDerWaalsContact O-N 3.11Å |
| 227 | Y | 86.6 | Confident | 92.9 | Very high | 121 Ų | 121 | 74.1 Ų | 74.1 | 48% | 0.475 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 137.4 | -169.8 | 179.2 | -106.5 | 0 | 0 | 0 | 111.9 | K224 N229 | K224-Y227 PolarHBondContact N-O 3.13Å; K224-Y227 PolarHBondContact O-N 3.02Å; K224-Y227 VanDerWaalsContact O-O 3.05Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 WeakPolarHBondContact OH-CB 3.34Å; Y227-N229 PolarHBondContact OH-ND2 2.87Å |
| 228 | R | 91.9 | Very high | 93 | Very high | 148 Ų | 148 | 75.9 Ų | 75.9 | 56% | 0.558 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 124.9 | 173.2 | 178.8 | 167.9 | -175.8 | -135.9 | 2.1 | 109.8 | E222 V223 | E222-R228 WeakPolarHBondContact O-CA 3.4Å; V223-R228 HydrophobicContact CG2-CG 4.01Å |
| 229 | N | 93.2 | Very high | 92.9 | Very high | 77 Ų | 77 | 77.9 Ų | 77.9 | 41% | 0.412 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151 | 172.3 | -162.1 | 9.6 | 0 | 0 | 0 | 109.9 | S221 E222 Y227 | S221-N229 CarbonylContact C-O 3.53Å; S221-N229 VanDerWaalsContact CA-O 3.25Å; S221-N229 WeakPolarHBondContact CA-O 3.45Å; E222-N229 PolarHBondContact N-O 2.81Å; E222-N229 PolarHBondContact O-N 3.48Å; Y227-N229 HydrophobicContact CE1-CB 3.57Å; Y227-N229 WeakPolarHBondContact OH-CB 3.34Å; Y227-N229 PolarHBondContact OH-ND2 2.87Å |
| 230 | S | 95 | Very high | 93 | Very high | 57 Ų | 57 | 81.2 Ų | 81.2 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 145.3 | 175.9 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | V220 | V220-S230 VanDerWaalsContact O-CA 3.24Å; V220-S230 WeakPolarHBondContact O-CA 3.31Å |
| 231 | I | 95.1 | Very high | 93 | Very high | 86 Ų | 86 | 84.9 Ų | 84.9 | 44% | 0.441 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 155.5 | 166.7 | 63.1 | 169.4 | 0 | 0 | 0 | 110.1 | R219 V220 V233 F241 | R219-I231 WeakPolarHBondContact CA-O 3.38Å; V220-I231 HydrophobicContact CB-CD1 4.44Å; V220-I231 HydrophobicContact CB-CG1 3.92Å; V220-I231 PolarHBondContact N-O 2.81Å; V220-I231 PolarHBondContact O-N 2.85Å; I231-V233 HydrophobicContact CD1-CG2 3.96Å; I231-V233 HydrophobicContact CG1-CG2 4.32Å; I231-F241 HydrophobicContact CD1-CZ 4.24Å |
| 232 | T | 94.5 | Very high | 92.9 | Very high | 84 Ų | 84 | 86.3 Ų | 86.3 | 52% | 0.515 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.3 | 173.3 | -63.3 | 0 | 0 | 0 | 0 | 109.1 | F217 | F217-T232 HydrophobicContact CB-CG2 3.84Å; F217-T232 HydrophobicContact CD2-CG2 3.53Å; F217-T232 HydrophobicContact CE2-CG2 4.29Å; F217-T232 HydrophobicContact CG-CG2 3.81Å |
| 233 | V | 94.9 | Very high | 93 | Very high | 11 Ų | 11 | 89.8 Ų | 89.8 | 7% | 0.067 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 113.2 | -177.8 | -168.2 | 0 | 0 | 0 | 0 | 108.9 | F217 M218 I231 V237 W238 F241 | F217-V233 CarbonylContact C-O 3.58Å; F217-V233 WeakPolarHBondContact CA-O 3.46Å; M218-V233 PolarHBondContact N-O 2.84Å; M218-V233 PolarHBondContact O-N 2.82Å; I231-V233 HydrophobicContact CD1-CG2 3.96Å; I231-V233 HydrophobicContact CG1-CG2 4.32Å; V233-V237 HydrophobicContact CG1-CG2 3.65Å; V233-W238 PolarHBondContact O-NE1 3.46Å; V233-F241 HydrophobicContact CG1-CB 4.45Å; V233-F241 HydrophobicContact CG1-CD2 4.21Å; V233-F241 HydrophobicContact CG1-CG 4.3Å; V233-F241 HydrophobicContact CG2-CE2 4.37Å |
| 234 | P | 94.1 | Very high | 93.2 | Very high | 58 Ų | 58 | 91.4 Ų | 91.4 | 38% | 0.377 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 142.3 | 176.8 | -23.1 | 34.3 | 0 | 0 | 0 | 112.6 | K236 V237 W238 | P234-K236 HydrophobicContact CB-CG 4.13Å; P234-K236 PolarHBondContact O-N 2.78Å; P234-K236 VanDerWaalsContact O-N 3.15Å; P234-V237 VanDerWaalsContact O-CG2 3.31Å; P234-V237 WeakPolarHBondContact O-CG2 3.24Å; P234-V237 PolarHBondContact O-N 3.42Å; P234-W238 VanDerWaalsContact O-CD1 3.23Å |
| 235 | C | 92.6 | Very high | 93.4 | Very high | 55 Ų | 55 | 94.8 Ų | 94.8 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -53.2 | -40.1 | -177.7 | 178.4 | 0 | 0 | 0 | 0 | 113.4 | V216 V237 W238 | V216-C235 HydrophobicContact CB-CB 3.89Å; V216-C235 HydrophobicContact CG1-CB 4.21Å; V216-C235 WeakPolarHBondContact O-CB 3.3Å; V216-C235 PolarHBondContact O-N 3.17Å; C235-V237 PolarHBondContact O-N 2.86Å; C235-W238 VanDerWaalsContact CA-CE2 3.47Å; C235-W238 HydrophobicContact CB-CD2 4.15Å; C235-W238 HydrophobicContact CB-CE3 4.34Å; C235-W238 HydrophobicContact CB-CH2 4.2Å; C235-W238 HydrophobicContact CB-CZ2 3.98Å; C235-W238 HydrophobicContact CB-CZ3 4.37Å; C235-W238 WeakPolarHBondContact O-CB 3.35Å; C235-W238 PolarHBondContact O-N 3.41Å |
| 236 | K | 91.5 | Very high | 93.8 | Very high | 192 Ų | 192 | 92.9 Ų | 92.9 | 84% | 0.835 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -56.1 | -16.2 | 178.4 | 70 | -177.7 | -178.7 | 179.5 | 0 | 115.4 | P234 | P234-K236 HydrophobicContact CB-CG 4.13Å; P234-K236 PolarHBondContact O-N 2.78Å; P234-K236 VanDerWaalsContact O-N 3.15Å |
| 237 | V | 94.8 | Very high | 94.2 | Very high | 52 Ų | 52 | 91.7 Ų | 91.7 | 32% | 0.315 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -114 | 0 | 178.3 | -51.9 | 0 | 0 | 0 | 0 | 114.2 | V233 P234 C235 S239 K240 F241 | V233-V237 HydrophobicContact CG1-CG2 3.65Å; P234-V237 VanDerWaalsContact O-CG2 3.31Å; P234-V237 WeakPolarHBondContact O-CG2 3.24Å; P234-V237 PolarHBondContact O-N 3.42Å; C235-V237 PolarHBondContact O-N 2.86Å; V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 3.14Å; V237-K240 PolarHBondContact O-N 2.8Å; V237-K240 VanDerWaalsContact O-N 3.13Å; V237-F241 PolarHBondContact O-N 3.49Å |
| 238 | W | 94.4 | Very high | 94.7 | Very high | 72 Ų | 72 | 92.1 Ų | 92.1 | 27% | 0.273 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -56.4 | -44.5 | -175.1 | -71.8 | -5.1 | 0 | 0 | 0 | 112.9 | V209 V216 M218 V233 P234 C235 K240 F241 G242 | V209-W238 HydrophobicContact CG1-CH2 3.84Å; V209-W238 HydrophobicContact CG1-CZ2 4.41Å; V209-W238 HydrophobicContact CG2-CH2 4.14Å; V216-W238 HydrophobicContact CG1-CH2 3.72Å; V216-W238 HydrophobicContact CG1-CZ2 4.11Å; M218-W238 HydrophobicContact CB-CZ2 3.65Å; V233-W238 PolarHBondContact O-NE1 3.46Å; P234-W238 VanDerWaalsContact O-CD1 3.23Å; C235-W238 VanDerWaalsContact CA-CE2 3.47Å; C235-W238 HydrophobicContact CB-CD2 4.15Å; C235-W238 HydrophobicContact CB-CE3 4.34Å; C235-W238 HydrophobicContact CB-CH2 4.2Å; C235-W238 HydrophobicContact CB-CZ2 3.98Å; C235-W238 HydrophobicContact CB-CZ3 4.37Å; C235-W238 WeakPolarHBondContact O-CB 3.35Å; C235-W238 PolarHBondContact O-N 3.41Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 2.74Å; W238-F241 PolarHBondContact O-N 2.82Å; W238-G242 PolarHBondContact O-N 2.91Å |
| 239 | S | 93.4 | Very high | 94.9 | Very high | 92 Ų | 92 | 87.3 Ų | 87.3 | 64% | 0.643 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.9 | -42.4 | 178.8 | -47.3 | 0 | 0 | 0 | 0 | 112.2 | V237 N243 | V237-S239 VanDerWaalsContact C-N 3.34Å; V237-S239 PolarHBondContact O-N 3.14Å; S239-N243 VanDerWaalsContact O-CB 3.3Å; S239-N243 WeakPolarHBondContact O-CB 3.2Å; S239-N243 PolarHBondContact O-N 2.85Å; S239-N243 PolarHBondContact O-ND2 2.82Å; S239-N243 PolarHBondContact O-OD1 3.08Å |
| 240 | K | 95.3 | Very high | 95 | Very high | 160 Ų | 160 | 88.4 Ų | 88.4 | 70% | 0.696 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.7 | -41.6 | 177.5 | -67.5 | -177.3 | 179.4 | -179.3 | 0 | 111.5 | V237 W238 T244 | V237-K240 PolarHBondContact O-N 2.8Å; V237-K240 VanDerWaalsContact O-N 3.13Å; W238-K240 VanDerWaalsContact C-N 3.33Å; W238-K240 PolarHBondContact O-N 2.74Å; K240-T244 WeakPolarHBondContact O-CB 3.39Å; K240-T244 PolarHBondContact O-N 2.64Å; K240-T244 VanDerWaalsContact O-N 3.09Å; K240-T244 PolarHBondContact O-OG1 2.61Å |
| 241 | F | 95.4 | Very high | 95 | Very high | 107 Ų | 107 | 89.5 Ų | 89.5 | 47% | 0.469 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63 | -48.9 | 178.4 | -167.2 | -84.1 | 0 | 0 | 0 | 111 | I231 V233 V237 W238 T244 F245 | I231-F241 HydrophobicContact CD1-CZ 4.24Å; V233-F241 HydrophobicContact CG1-CB 4.45Å; V233-F241 HydrophobicContact CG1-CD2 4.21Å; V233-F241 HydrophobicContact CG1-CG 4.3Å; V233-F241 HydrophobicContact CG2-CE2 4.37Å; V237-F241 PolarHBondContact O-N 3.49Å; W238-F241 PolarHBondContact O-N 2.82Å; F241-T244 PolarHBondContact O-N 3.2Å; F241-F245 PolarHBondContact O-N 2.86Å |
| 242 | G | 94.3 | Very high | 95 | Very high | 30 Ų | 30 | 90.7 Ų | 90.7 | 31% | 0.309 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.4 | -48.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | W238 T244 F245 C246 | W238-G242 PolarHBondContact O-N 2.91Å; G242-T244 VanDerWaalsContact C-N 3.28Å; G242-T244 PolarHBondContact O-N 2.82Å; G242-F245 WeakPolarHBondContact O-CB 3.38Å; G242-F245 PolarHBondContact O-N 3.46Å; G242-C246 PolarHBondContact O-N 3.19Å; G242-C246 PolarHBondContact O-SG 2.94Å |
| 243 | N | 95.8 | Very high | 95 | Very high | 115 Ų | 115 | 93.1 Ų | 93.1 | 62% | 0.615 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -58.5 | -41.5 | 177.8 | -70.3 | -6.8 | 0 | 0 | 0 | 112.1 | S239 F245 C246 K247 | S239-N243 VanDerWaalsContact O-CB 3.3Å; S239-N243 WeakPolarHBondContact O-CB 3.2Å; S239-N243 PolarHBondContact O-N 2.85Å; S239-N243 PolarHBondContact O-ND2 2.82Å; S239-N243 PolarHBondContact O-OD1 3.08Å; N243-F245 VanDerWaalsContact C-N 3.34Å; N243-C246 PolarHBondContact O-N 2.88Å; N243-K247 WeakPolarHBondContact O-CB 3.41Å; N243-K247 PolarHBondContact O-N 2.85Å |
| 244 | T | 96.8 | Very high | 94.9 | Very high | 74 Ų | 74 | 97.9 Ų | 97.9 | 45% | 0.454 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 111 | K240 F241 G242 K247 Y248 | K240-T244 WeakPolarHBondContact O-CB 3.39Å; K240-T244 PolarHBondContact O-N 2.64Å; K240-T244 VanDerWaalsContact O-N 3.09Å; K240-T244 PolarHBondContact O-OG1 2.61Å; F241-T244 PolarHBondContact O-N 3.2Å; G242-T244 VanDerWaalsContact C-N 3.28Å; G242-T244 PolarHBondContact O-N 2.82Å; T244-K247 PolarHBondContact O-N 3.49Å; T244-Y248 HydrophobicContact CG2-CD2 3.88Å; T244-Y248 HydrophobicContact CG2-CE2 3.61Å; T244-Y248 WeakPolarHBondContact O-CD2 3.22Å; T244-Y248 PolarHBondContact O-N 2.86Å |
| 245 | F | 95.8 | Very high | 94.9 | Very high | 149 Ų | 149 | 98.7 Ų | 98.7 | 65% | 0.654 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63 | -46.9 | 177.2 | -167.4 | -90.7 | 0 | 0 | 0 | 112.2 | F241 G242 N243 K247 Y248 A249 | F241-F245 PolarHBondContact O-N 2.86Å; G242-F245 WeakPolarHBondContact O-CB 3.38Å; G242-F245 PolarHBondContact O-N 3.46Å; N243-F245 VanDerWaalsContact C-N 3.34Å; F245-K247 PolarHBondContact O-N 2.77Å; F245-Y248 PolarHBondContact O-N 2.75Å; F245-A249 PolarHBondContact O-N 2.82Å |
| 246 | C | 96.6 | Very high | 94.8 | Very high | 71 Ų | 71 | 102.6 Ų | 102.6 | 48% | 0.48 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 177.2 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | G242 N243 Y248 A249 E250 | G242-C246 PolarHBondContact O-N 3.19Å; G242-C246 PolarHBondContact O-SG 2.94Å; N243-C246 PolarHBondContact O-N 2.88Å; C246-Y248 PolarHBondContact O-N 2.93Å; C246-A249 WeakPolarHBondContact O-CB 3.2Å; C246-A249 PolarHBondContact O-N 2.83Å; C246-E250 PolarHBondContact O-N 3.35Å |
| 247 | K | 96.6 | Very high | 94.8 | Very high | 115 Ų | 115 | 97.2 Ų | 97.2 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -55.3 | -50.5 | 176.2 | 179 | -174.2 | 171.3 | -175 | 0 | 111.4 | N243 T244 F245 A249 E250 E251 | N243-K247 WeakPolarHBondContact O-CB 3.41Å; N243-K247 PolarHBondContact O-N 2.85Å; T244-K247 PolarHBondContact O-N 3.49Å; F245-K247 PolarHBondContact O-N 2.77Å; K247-A249 VanDerWaalsContact C-N 3.33Å; K247-A249 PolarHBondContact O-N 2.89Å; K247-E250 PolarHBondContact O-N 3.42Å; K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 IonicContact NZ-OE1 3.98Å; K247-E251 PolarHBondContact O-N 2.74Å |
| 248 | Y | 97.2 | Very high | 94.6 | Very high | 130 Ų | 130 | 101.2 Ų | 101.2 | 51% | 0.51 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.9 | -32.9 | -179.9 | -75.8 | -59.4 | 0 | 0 | 0 | 112.9 | T244 F245 C246 E250 E251 M252 | T244-Y248 HydrophobicContact CG2-CD2 3.88Å; T244-Y248 HydrophobicContact CG2-CE2 3.61Å; T244-Y248 WeakPolarHBondContact O-CD2 3.22Å; T244-Y248 PolarHBondContact O-N 2.86Å; F245-Y248 PolarHBondContact O-N 2.75Å; C246-Y248 PolarHBondContact O-N 2.93Å; Y248-E250 VanDerWaalsContact C-N 3.32Å; Y248-E250 PolarHBondContact O-N 2.94Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.3Å; Y248-E251 PolarHBondContact O-N 3.01Å; Y248-M252 WeakPolarHBondContact O-CB 3.24Å; Y248-M252 WeakPolarHBondContact O-CG 3.3Å; Y248-M252 PolarHBondContact O-N 3.32Å |
| 249 | A | 95.4 | Very high | 94.2 | Very high | 47 Ų | 47 | 101.3 Ų | 101.3 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F245 C246 K247 R253 | F245-A249 PolarHBondContact O-N 2.82Å; C246-A249 WeakPolarHBondContact O-CB 3.2Å; C246-A249 PolarHBondContact O-N 2.83Å; K247-A249 VanDerWaalsContact C-N 3.33Å; K247-A249 PolarHBondContact O-N 2.89Å; A249-R253 PolarHBondContact O-N 3.39Å; A249-R253 VanDerWaalsContact O-N 3.13Å |
| 250 | E | 94.9 | Very high | 93.9 | Very high | 100 Ų | 100 | 105.8 Ų | 105.8 | 47% | 0.467 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 174.3 | -70.6 | 179.6 | 179.8 | 0 | 0 | 112.9 | C246 K247 Y248 M252 R253 K254 | C246-E250 PolarHBondContact O-N 3.35Å; K247-E250 PolarHBondContact O-N 3.42Å; Y248-E250 VanDerWaalsContact C-N 3.32Å; Y248-E250 PolarHBondContact O-N 2.94Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 3.36Å; E250-R253 WeakPolarHBondContact O-CB 3.43Å; E250-R253 PolarHBondContact O-N 2.81Å; E250-K254 WeakPolarHBondContact O-CG 3.33Å; E250-K254 PolarHBondContact O-N 2.75Å; E250-K254 VanDerWaalsContact O-N 3.07Å |
| 251 | E | 96 | Very high | 93.3 | Very high | 79 Ų | 79 | 104.1 Ų | 104.1 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 176.4 | -73.7 | -179.7 | 178.6 | 0 | 0 | 111.5 | K247 Y248 R253 K254 I255 | K247-E251 WeakPolarHBondContact CE-OE1 3.45Å; K247-E251 IonicContact NZ-OE1 3.98Å; K247-E251 PolarHBondContact O-N 2.74Å; Y248-E251 WeakPolarHBondContact CD1-OE2 3.3Å; Y248-E251 PolarHBondContact O-N 3.01Å; E251-R253 VanDerWaalsContact C-N 3.34Å; E251-R253 PolarHBondContact O-N 3.28Å; E251-K254 PolarHBondContact O-N 2.98Å; E251-I255 WeakPolarHBondContact O-CG1 3.21Å; E251-I255 PolarHBondContact O-N 3.48Å |
| 252 | M | 94.6 | Very high | 92.7 | Very high | 111 Ų | 111 | 105.7 Ų | 105.7 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 175.8 | -74.7 | -64.7 | 171.3 | 0 | 0 | 112.5 | Y248 E250 I255 Q256 | Y248-M252 WeakPolarHBondContact O-CB 3.24Å; Y248-M252 WeakPolarHBondContact O-CG 3.3Å; Y248-M252 PolarHBondContact O-N 3.32Å; E250-M252 VanDerWaalsContact C-N 3.32Å; E250-M252 PolarHBondContact O-N 3.36Å; M252-I255 PolarHBondContact O-N 2.8Å; M252-I255 HydrophobicContact SD-CD1 4.2Å; M252-Q256 WeakPolarHBondContact O-CG 3.3Å; M252-Q256 PolarHBondContact O-N 2.74Å |
| 253 | R | 94.1 | Very high | 92.1 | Very high | 135 Ų | 135 | 112.9 Ų | 112.9 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 174.8 | -164.6 | -169 | -44 | 164.3 | 10.5 | 111.6 | A249 E250 E251 I255 Q256 E257 | A249-R253 PolarHBondContact O-N 3.39Å; A249-R253 VanDerWaalsContact O-N 3.13Å; E250-R253 WeakPolarHBondContact O-CB 3.43Å; E250-R253 PolarHBondContact O-N 2.81Å; E251-R253 VanDerWaalsContact C-N 3.34Å; E251-R253 PolarHBondContact O-N 3.28Å; R253-I255 VanDerWaalsContact C-N 3.29Å; R253-I255 PolarHBondContact O-N 2.77Å; R253-Q256 PolarHBondContact O-N 3.11Å; R253-Q256 VanDerWaalsContact O-N 3.16Å; R253-E257 WeakPolarHBondContact O-CG 3.41Å; R253-E257 PolarHBondContact O-N 3.3Å |
| 254 | K | 93.9 | Very high | 91.2 | Very high | 111 Ų | 111 | 110.1 Ų | 110.1 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.3 | -36.5 | 176.8 | -69 | 173.1 | -178.1 | 172.6 | 0 | 112.4 | E250 E251 R258 | E250-K254 WeakPolarHBondContact O-CG 3.33Å; E250-K254 PolarHBondContact O-N 2.75Å; E250-K254 VanDerWaalsContact O-N 3.07Å; E251-K254 PolarHBondContact O-N 2.98Å; K254-R258 WeakPolarHBondContact O-CG 3.25Å; K254-R258 PolarHBondContact O-N 2.8Å; K254-R258 VanDerWaalsContact O-N 3.09Å |
| 255 | I | 93.9 | Very high | 90.2 | Very high | 76 Ų | 76 | 110 Ų | 110 | 39% | 0.39 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -47.6 | 175.2 | -67.5 | 165.8 | 0 | 0 | 0 | 110 | E251 M252 R253 E257 R258 S259 | E251-I255 WeakPolarHBondContact O-CG1 3.21Å; E251-I255 PolarHBondContact O-N 3.48Å; M252-I255 PolarHBondContact O-N 2.8Å; M252-I255 HydrophobicContact SD-CD1 4.2Å; R253-I255 VanDerWaalsContact C-N 3.29Å; R253-I255 PolarHBondContact O-N 2.77Å; I255-E257 PolarHBondContact O-N 2.95Å; I255-R258 PolarHBondContact O-N 2.92Å; I255-S259 WeakPolarHBondContact O-CB 3.39Å; I255-S259 PolarHBondContact O-N 2.78Å; I255-S259 PolarHBondContact O-OG 2.67Å |
| 256 | Q | 90.5 | Very high | 89 | Confident | 136 Ų | 136 | 110.5 Ų | 110.5 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 179.2 | -71.5 | 176 | 0.7 | 0 | 0 | 112.4 | M252 R253 S259 R260 | M252-Q256 WeakPolarHBondContact O-CG 3.3Å; M252-Q256 PolarHBondContact O-N 2.74Å; R253-Q256 PolarHBondContact O-N 3.11Å; R253-Q256 VanDerWaalsContact O-N 3.16Å; Q256-S259 PolarHBondContact O-N 2.9Å; Q256-R260 WeakPolarHBondContact O-CB 3.42Å; Q256-R260 PolarHBondContact O-N 2.9Å |
| 257 | E | 91.6 | Very high | 87.5 | Confident | 80 Ų | 80 | 113.4 Ų | 113.4 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.2 | -50.6 | 175.6 | -75 | 167 | 177.2 | 0 | 0 | 111.4 | R253 I255 S259 R260 E261 | R253-E257 WeakPolarHBondContact O-CG 3.41Å; R253-E257 PolarHBondContact O-N 3.3Å; I255-E257 PolarHBondContact O-N 2.95Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 3.18Å; E257-R260 WeakPolarHBondContact O-CB 3.32Å; E257-R260 PolarHBondContact O-N 2.83Å; E257-R260 VanDerWaalsContact O-N 3.07Å; E257-E261 WeakPolarHBondContact O-CG 3.39Å; E257-E261 PolarHBondContact O-N 3.12Å |
| 258 | R | 90.3 | Very high | 85.6 | Confident | 136 Ų | 136 | 114.2 Ų | 114.2 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 175.9 | -74.7 | -172 | -61.5 | -115.5 | 0.8 | 112.8 | K254 I255 R260 K262 | K254-R258 WeakPolarHBondContact O-CG 3.25Å; K254-R258 PolarHBondContact O-N 2.8Å; K254-R258 VanDerWaalsContact O-N 3.09Å; I255-R258 PolarHBondContact O-N 2.92Å; R258-R260 VanDerWaalsContact C-N 3.31Å; R258-K262 WeakPolarHBondContact O-CB 3.28Å; R258-K262 WeakPolarHBondContact O-CG 3.49Å; R258-K262 PolarHBondContact O-N 3.07Å |
| 259 | S | 85.1 | Confident | 83.6 | Confident | 73 Ų | 73 | 113.5 Ų | 113.5 | 51% | 0.51 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.6 | -37.1 | 175.6 | -71 | 0 | 0 | 0 | 0 | 111.9 | I255 Q256 E257 R263 | I255-S259 WeakPolarHBondContact O-CB 3.39Å; I255-S259 PolarHBondContact O-N 2.78Å; I255-S259 PolarHBondContact O-OG 2.67Å; Q256-S259 PolarHBondContact O-N 2.9Å; E257-S259 VanDerWaalsContact C-N 3.32Å; E257-S259 PolarHBondContact O-N 3.18Å; S259-R263 WeakPolarHBondContact O-CB 3.18Å; S259-R263 PolarHBondContact O-N 3.47Å |
| 260 | R | 87.4 | Confident | 81.6 | Confident | 186 Ų | 186 | 120.7 Ų | 120.7 | 70% | 0.702 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.8 | -43.2 | 176.7 | -169.7 | 176.9 | 72.8 | 178.3 | 2.8 | 111.8 | Q256 E257 R258 R263 A264 | Q256-R260 WeakPolarHBondContact O-CB 3.42Å; Q256-R260 PolarHBondContact O-N 2.9Å; E257-R260 WeakPolarHBondContact O-CB 3.32Å; E257-R260 PolarHBondContact O-N 2.83Å; E257-R260 VanDerWaalsContact O-N 3.07Å; R258-R260 VanDerWaalsContact C-N 3.31Å; R260-R263 PolarHBondContact O-N 2.96Å; R260-A264 WeakPolarHBondContact O-CB 3.31Å; R260-A264 PolarHBondContact O-N 2.93Å |
| 261 | E | 83.9 | Confident | 79.5 | Confident | 126 Ų | 126 | 119.3 Ų | 119.3 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.4 | -45.8 | 176.6 | -74.3 | 171 | 179.9 | 0 | 0 | 111.7 | E257 R263 A264 S265 | E257-E261 WeakPolarHBondContact O-CG 3.39Å; E257-E261 PolarHBondContact O-N 3.12Å; E261-R263 VanDerWaalsContact C-N 3.34Å; E261-R263 PolarHBondContact O-N 2.89Å; E261-A264 PolarHBondContact O-N 3.05Å; E261-A264 VanDerWaalsContact O-N 3.16Å; E261-S265 PolarHBondContact O-N 2.83Å; E261-S265 PolarHBondContact O-OG 3.18Å |
| 262 | K | 82.9 | Confident | 77.1 | Confident | 139 Ų | 139 | 124.5 Ų | 124.5 | 60% | 0.604 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.2 | -45.2 | 174.8 | -76.9 | -177.7 | 176.9 | -167.6 | 0 | 112.5 | R258 A264 S265 E266 | R258-K262 WeakPolarHBondContact O-CB 3.28Å; R258-K262 WeakPolarHBondContact O-CG 3.49Å; R258-K262 PolarHBondContact O-N 3.07Å; K262-A264 VanDerWaalsContact C-N 3.31Å; K262-A264 PolarHBondContact O-N 3.3Å; K262-S265 WeakPolarHBondContact CA-OG 3.46Å; K262-S265 PolarHBondContact O-N 2.69Å; K262-S265 PolarHBondContact O-OG 3.17Å; K262-E266 WeakPolarHBondContact O-CG 3.32Å; K262-E266 PolarHBondContact O-N 3Å; K262-E266 VanDerWaalsContact O-N 3.09Å |
| 263 | R | 79.9 | Confident | 74.9 | Confident | 181 Ų | 181 | 128.4 Ų | 128.4 | 68% | 0.683 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.4 | -34.1 | 177.7 | -168.5 | 177 | -179.7 | -178.3 | 0.6 | 112.2 | S259 R260 E261 L267 | S259-R263 WeakPolarHBondContact O-CB 3.18Å; S259-R263 PolarHBondContact O-N 3.47Å; R260-R263 PolarHBondContact O-N 2.96Å; E261-R263 VanDerWaalsContact C-N 3.34Å; E261-R263 PolarHBondContact O-N 2.89Å; R263-L267 HydrophobicContact CG-CD1 4.47Å; R263-L267 WeakPolarHBondContact O-CD1 3.2Å; R263-L267 WeakPolarHBondContact O-CG 3.29Å |
| 264 | A | 77.6 | Confident | 72.8 | Confident | 58 Ų | 58 | 124.7 Ų | 124.7 | 48% | 0.479 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -70.8 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R260 E261 K262 L267 | R260-A264 WeakPolarHBondContact O-CB 3.31Å; R260-A264 PolarHBondContact O-N 2.93Å; E261-A264 PolarHBondContact O-N 3.05Å; E261-A264 VanDerWaalsContact O-N 3.16Å; K262-A264 VanDerWaalsContact C-N 3.31Å; K262-A264 PolarHBondContact O-N 3.3Å; A264-L267 PolarHBondContact O-N 3.09Å |
| 265 | S | 76.8 | Confident | 70.9 | Confident | 72 Ų | 72 | 126.6 Ų | 126.6 | 50% | 0.503 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.9 | -32.7 | 175.9 | 54.7 | 0 | 0 | 0 | 0 | 113.4 | E261 K262 L267 L268 | E261-S265 PolarHBondContact O-N 2.83Å; E261-S265 PolarHBondContact O-OG 3.18Å; K262-S265 WeakPolarHBondContact CA-OG 3.46Å; K262-S265 PolarHBondContact O-N 2.69Å; K262-S265 PolarHBondContact O-OG 3.17Å; S265-L267 PolarHBondContact O-N 2.98Å; S265-L268 PolarHBondContact O-N 3.18Å |
| 266 | E | 70.3 | Confident | 68.9 | Low | 159 Ų | 159 | 130.7 Ų | 130.7 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -12.8 | 176.7 | -73 | 170 | -176.7 | 0 | 0 | 113.6 | K262 | K262-E266 WeakPolarHBondContact O-CG 3.32Å; K262-E266 PolarHBondContact O-N 3Å; K262-E266 VanDerWaalsContact O-N 3.09Å |
| 267 | L | 64.7 | Low | 67.1 | Low | 131 Ų | 131 | 126.9 Ų | 126.9 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -2.2 | 178.4 | -75.1 | 165.5 | 0 | 0 | 0 | 113.4 | R263 A264 S265 | R263-L267 HydrophobicContact CG-CD1 4.47Å; R263-L267 WeakPolarHBondContact O-CD1 3.2Å; R263-L267 WeakPolarHBondContact O-CG 3.29Å; A264-L267 PolarHBondContact O-N 3.09Å; S265-L267 PolarHBondContact O-N 2.98Å |
| 268 | L | 57.4 | Low | 65.6 | Low | 132 Ų | 132 | 130.8 Ų | 130.8 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -81.4 | 118.7 | 169.8 | -70.9 | 168.9 | 0 | 0 | 0 | 108.3 | S265 E270 | S265-L268 PolarHBondContact O-N 3.18Å; L268-E270 PolarHBondContact O-N 3.44Å |
| 269 | P | 54.7 | Low | 63.8 | Low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | trans | -64.7 | 133.6 | 174.1 | -7.4 | 21.7 | 0 | 0 | 0 | 108.6 | G271 | P269-G271 PolarHBondContact O-N 2.83Š| ||
| 270 | E | 53.9 | Low | 62.3 | Low | 197 Ų | 197 | 139.9 Ų | 139.9 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | trans | -55.4 | 107 | 162.7 | -74.4 | -173.3 | 149.7 | 0 | 0 | 107.4 | L268 Q272 | L268-E270 PolarHBondContact O-N 3.44Å; E270-Q272 PolarHBondContact O-N 3.28Å | ||
| 271 | G | 49.4 | Very low | 61 | Low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | -61.6 | 111.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | P269 H273 | P269-G271 PolarHBondContact O-N 2.83Å; G271-H273 PolarHBondContact O-N 3.47Å | ||
| 272 | Q | 46.5 | Very low | 59.8 | Low | 187 Ų | 187 | 138.2 Ų | 138.2 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | 14.4 | 97.6 | 155.9 | -80.1 | 156.4 | 4 | 0 | 0 | 114 | E270 G274 | E270-Q272 PolarHBondContact O-N 3.28Å; Q272-G274 VanDerWaalsContact C-N 3.33Å; Q272-G274 PolarHBondContact O-N 3.22Å | ||
| 273 | H | 47.1 | Very low | 58.6 | Low | 193 Ų | 193 | 138.2 Ų | 138.2 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | trans | -59.2 | 106.4 | 154.5 | -139.8 | -6.3 | 0 | 0 | 0 | 105.6 | G271 D275 | G271-H273 PolarHBondContact O-N 3.47Å; H273-D275 PolarHBondContact O-N 3.23Å | ||
| 274 | G | 49.8 | Very low | 57.3 | Low | 57 Ų | 57 | 135.6 Ų | 135.6 | 59% | 0.588 | 77% | 0.772 | S | S | * | * | trans | -55.2 | 109.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q272 D276 | Q272-G274 VanDerWaalsContact C-N 3.33Å; Q272-G274 PolarHBondContact O-N 3.22Å; G274-D276 PolarHBondContact O-N 3.31Å | ||
| 275 | D | 54.8 | Low | 56 | Low | 152 Ų | 152 | 140.5 Ų | 140.5 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -63.7 | 85 | 160.3 | -178.9 | 46.2 | 0 | 0 | 0 | 106.9 | H273 G277 | H273-D275 PolarHBondContact O-N 3.23Å; D275-G277 PolarHBondContact O-N 3.02Å | ||
| 276 | D | 53.2 | Low | 54.7 | Low | 162 Ų | 162 | 145.1 Ų | 145.1 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -82.6 | 83.7 | 160.5 | -76.9 | -28.9 | 0 | 0 | 0 | 106.2 | G274 | G274-D276 PolarHBondContact O-N 3.31Š| ||
| 277 | G | 51.8 | Low | 53.5 | Low | 55 Ų | 55 | 144.1 Ų | 144.1 | 57% | 0.567 | 82% | 0.815 | S | S | * | * | trans | -59.9 | 143.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111 | D275 | D275-G277 PolarHBondContact O-N 3.02Š| ||
| 278 | D | 59.1 | Low | 52.7 | Low | 162 Ų | 162 | 145.1 Ų | 145.1 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | trans | -46.6 | 140 | 168.4 | -69.4 | -50 | 0 | 0 | 0 | 112.3 | ||||
| 279 | D | 53.4 | Low | 52.3 | Low | 163 Ų | 163 | 146.2 Ų | 146.2 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | trans | -154.8 | 119.2 | 142.5 | -112.6 | -22.6 | 0 | 0 | 0 | 110.5 | ||||
| 280 | D | 53.8 | Low | 52.1 | Low | 238 Ų | 238 | 148.9 Ų | 148.9 | 100% | 1.273 | 84% | 0.843 | S | S | * | * | trans | 28.5 | 0 | 163.5 | -93.9 | -18.6 | 0 | 0 | 0 | 122.1 |
Retrieved 280 of 280 residues in 52.4 ms
(Link to these results)