| 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 | 35.3 | Very low | 33.5 | Very low | 222 Ų | 222 | 143.5 Ų | 143.5 | 100% | 1.094 | 81% | 0.805 | S | S | * | * | 0 | 114.2 | 0 | -83.7 | 176.4 | 81.4 | 0 | 0 | 107.6 | |||||
| 2 | W | 37.8 | Very low | 33.4 | Very low | 222 Ų | 222 | 147.5 Ų | 147.5 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | trans | 57.4 | 100.5 | 164.8 | -51.5 | 94.6 | 0 | 0 | 0 | 116.9 | ||||
| 3 | N | 35.3 | Very low | 33.5 | Very low | 137 Ų | 137 | 147 Ų | 147 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | 73.9 | 119.8 | 58.2 | -158.4 | 45.2 | 0 | 0 | 0 | 114.4 | |||||
| 4 | Q | 39.8 | Very low | 33.6 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | 169 | 105.6 | 136.3 | -93.9 | 170.5 | 55.3 | 0 | 0 | 107 | ||||
| 5 | G | 33.3 | Very low | 33.4 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | 94.1 | 115.7 | 78 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 6 | G | 32.4 | Very low | 33.6 | Very low | 73 Ų | 73 | 142 Ų | 142 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | cis | 102.1 | 104.6 | 38 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 7 | Y | 31.4 | Very low | 33.9 | Very low | 229 Ų | 229 | 141.9 Ų | 141.9 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | trans | 168.2 | 144.2 | 133.8 | -106.5 | -90.5 | 0 | 0 | 0 | 112.3 | ||||
| 8 | S | 32.3 | Very low | 34.3 | Very low | 89 Ų | 89 | 144.5 Ų | 144.5 | 62% | 0.622 | 82% | 0.817 | S | S | * | * | trans | -63.4 | 155 | 177.2 | 46.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 9 | E | 30.2 | Very low | 34.3 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | 163.9 | 144.2 | 97.1 | -144.8 | 170.6 | 138.2 | 0 | 0 | 111.7 | |||||
| 10 | S | 32.4 | Very low | 34.9 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | 29.5 | 133.7 | 148.7 | 62.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 11 | G | 28.9 | Very low | 35.7 | Very low | 71 Ų | 71 | 139.2 Ų | 139.2 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | 150.7 | 106 | 141.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 12 | M | 32 | Very low | 35.6 | Very low | 192 Ų | 192 | 132 Ų | 132 | 95% | 0.946 | 80% | 0.8 | S | S | * | * | trans | 59 | 106 | 143.9 | -71.5 | -174.2 | 162.5 | 0 | 0 | 119.8 | ||||
| 13 | V | 34.7 | Very low | 36 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 128.2 | 157.8 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 14 | G | 34.4 | Very low | 36.1 | Very low | 60 Ų | 60 | 130 Ų | 130 | 62% | 0.619 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 149.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 15 | G | 31.6 | Very low | 36.3 | Very low | 82 Ų | 82 | 126.4 Ų | 126.4 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 145.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 16 | Y | 35.3 | Very low | 36.9 | Very low | 219 Ų | 219 | 128.7 Ų | 128.7 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 134.9 | 160.8 | -65.4 | -85.6 | 0 | 0 | 0 | 109.2 | Q18 | Y16-Q18 PolarHBondContact O-N 3.41Š|
| 17 | T | 38.9 | Very low | 37.1 | Very low | 140 Ų | 140 | 130 Ų | 130 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 116.6 | 175.2 | 47.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 18 | Q | 41 | Very low | 37.7 | Very low | 189 Ų | 189 | 128 Ų | 128 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 117.9 | 172.6 | -76.6 | -96.4 | -16 | 0 | 0 | 110 | Y16 | Y16-Q18 PolarHBondContact O-N 3.41Š|
| 19 | S | 35.1 | Very low | 38.1 | Very low | 101 Ų | 101 | 128.9 Ų | 128.9 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -97 | 143 | 162.4 | -64.7 | 0 | 0 | 0 | 0 | 109.2 | G21 | S19-G21 PolarHBondContact O-N 3.39Š|
| 20 | P | 46.4 | Very low | 38.7 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -84 | 104.1 | -171.4 | 31.4 | -30.3 | 0 | 0 | 0 | 110.9 | ||
| 21 | G | 50.3 | Low | 39.2 | Very low | 82 Ų | 82 | 129.2 Ų | 129.2 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | 141.6 | 71.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S19 | S19-G21 PolarHBondContact O-N 3.39Š| ||
| 22 | G | 34.5 | Very low | 39.4 | Very low | 69 Ų | 69 | 129.1 Ų | 129.1 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -147.7 | 132.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | A24 | G22-A24 PolarHBondContact O-N 3.37Š| ||
| 23 | F | 45.2 | Very low | 40 | Very low | 220 Ų | 220 | 130 Ų | 130 | 97% | 0.965 | 83% | 0.827 | S | S | * | * | trans | -42.4 | 114.7 | 174.1 | -86.4 | -110.9 | 0 | 0 | 0 | 111.9 | ||||
| 24 | A | 38.4 | Very low | 40.5 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | -87.6 | 107.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | G22 | G22-A24 PolarHBondContact O-N 3.37Š| ||
| 25 | S | 43 | Very low | 41 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 84% | 0.842 | S | S | * | * | trans | -59.3 | 136.8 | 157.5 | -58.9 | 0 | 0 | 0 | 0 | 108.6 | S27 | S25-S27 PolarHBondContact O-N 3.49Š| ||
| 26 | P | 46.7 | Very low | 41.3 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -67.3 | 114.4 | 178.2 | 24.8 | -28.8 | 0 | 0 | 0 | 109.3 | ||||
| 27 | S | 37 | Very low | 41.5 | Very low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 83% | 0.828 | S | S | * | * | trans | -62.3 | 130.2 | 164.4 | 35.9 | 0 | 0 | 0 | 0 | 109.2 | S25 S29 | S25-S27 PolarHBondContact O-N 3.49Å; S27-S29 PolarHBondContact O-N 3.32Å | ||
| 28 | L | 43.7 | Very low | 41.8 | Very low | 187 Ų | 187 | 138 Ų | 138 | 98% | 0.979 | 83% | 0.827 | S | S | * | * | trans | -65.3 | 102.7 | 166 | -85.3 | 94 | 0 | 0 | 0 | 108.5 | ||||
| 29 | S | 40 | Very low | 42.1 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -117.7 | 130.3 | 163.9 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | S27 | S27-S29 PolarHBondContact O-N 3.32Š| ||
| 30 | Q | 42.1 | Very low | 42.6 | Very low | 197 Ų | 197 | 134.7 Ų | 134.7 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | trans | -30.1 | 140.3 | -179.6 | -70.7 | 166.8 | -2.7 | 0 | 0 | 118 | ||||
| 31 | G | 43.3 | Very low | 43.3 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | 86.2 | 86.3 | 133.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 32 | G | 34.3 | Very low | 45 | Very low | 69 Ų | 69 | 134.9 Ų | 134.9 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | trans | 171.1 | 103.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111 | K34 | G32-K34 VanDerWaalsContact C-N 3.27Å; G32-K34 PolarHBondContact O-N 3.19Å | ||
| 33 | E | 44.5 | Very low | 47.8 | Very low | 210 Ų | 210 | 135 Ų | 135 | 98% | 0.981 | 77% | 0.766 | S | S | * | * | trans | -61.7 | 85.5 | 173.2 | -66.6 | 174.4 | 107.8 | 0 | 0 | 110.4 | ||||
| 34 | K | 44.1 | Very low | 50.3 | Low | 202 Ų | 202 | 125 Ų | 125 | 88% | 0.878 | 72% | 0.722 | S | S | * | * | trans | -88.5 | 104.8 | 160.3 | -75.2 | -172.8 | 179.4 | 179.3 | 0 | 106.9 | G32 G36 | G32-K34 VanDerWaalsContact C-N 3.27Å; G32-K34 PolarHBondContact O-N 3.19Å; K34-G36 VanDerWaalsContact C-N 3.3Å; K34-G36 PolarHBondContact O-N 2.75Å | ||
| 35 | K | 45 | Very low | 53.2 | Low | 209 Ų | 209 | 121.1 Ų | 121.1 | 91% | 0.909 | 69% | 0.689 | S | S | * | * | trans | -41.8 | 95.9 | 164 | -119.2 | 175.8 | 178.7 | 176.1 | 0 | 108.7 | R37 | K35-R37 VanDerWaalsContact C-N 3.26Å; K35-R37 PolarHBondContact O-N 3.16Å | ||
| 36 | G | 38.2 | Very low | 55.8 | Low | 65 Ų | 65 | 116.1 Ų | 116.1 | 67% | 0.67 | 65% | 0.654 | S | S | * | * | trans | -71.6 | 87.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | K34 T38 | K34-G36 VanDerWaalsContact C-N 3.3Å; K34-G36 PolarHBondContact O-N 2.75Å; G36-T38 PolarHBondContact O-N 3.29Å; G36-T38 PolarHBondContact O-OG1 3.01Å | ||
| 37 | R | 40.4 | Very low | 58.3 | Low | 197 Ų | 197 | 111.5 Ų | 111.5 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | trans | -68.6 | 88.4 | 164.5 | -166.1 | 176.8 | -173.9 | 174.8 | 2.3 | 105.5 | K35 R39 | K35-R37 VanDerWaalsContact C-N 3.26Å; K35-R37 PolarHBondContact O-N 3.16Å; R37-R39 PolarHBondContact O-N 2.78Å | ||
| 38 | T | 44.1 | Very low | 61.3 | Low | 138 Ų | 138 | 106.8 Ų | 106.8 | 85% | 0.847 | 59% | 0.59 | S | S | * | * | trans | -68.7 | 73 | 171.9 | -43.7 | 0 | 0 | 0 | 0 | 107.4 | G36 A40 | G36-T38 PolarHBondContact O-N 3.29Å; G36-T38 PolarHBondContact O-OG1 3.01Å; T38-A40 PolarHBondContact O-N 2.77Å; T38-A40 VanDerWaalsContact O-N 3.17Å | ||
| 39 | R | 47.6 | Very low | 63.9 | Low | 136 Ų | 136 | 100 Ų | 100 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | trans | -70 | 109.8 | 171.5 | -132.4 | -177.9 | -177.2 | -174.6 | -0.7 | 104.7 | R37 T41 E67 | R37-R39 PolarHBondContact O-N 2.78Å; R39-T41 PolarHBondContact O-N 3.38Å; R39-T41 VanDerWaalsContact O-N 3.07Å; R39-E67 IonicContact CZ-OE2 3.69Å; R39-E67 VanDerWaalsContact NH1-CD 3.34Å; R39-E67 IonicContact NH1-OE1 2.62Å; R39-E67 PolarHBondContact NH1-OE1 3.48Å; R39-E67 IonicContact NH1-OE2 2.79Å; R39-E67 PolarHBondContact NH1-OE2 3.31Å | ||
| 40 | A | 45.8 | Very low | 66.7 | Low | 83 Ų | 83 | 96.7 Ų | 96.7 | 69% | 0.686 | 53% | 0.531 | S | S | * | . | trans | -48.2 | 121 | 166.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | T38 Q42 | T38-A40 PolarHBondContact O-N 2.77Å; T38-A40 VanDerWaalsContact O-N 3.17Å; A40-Q42 VanDerWaalsContact C-N 3.26Å; A40-Q42 PolarHBondContact O-N 3.42Å | ||
| 41 | T | 61.8 | Low | 69.3 | Low | 98 Ų | 98 | 87.3 Ų | 87.3 | 60% | 0.601 | 49% | 0.487 | S | S | * | . | trans | -74.8 | 86.3 | -178.4 | 44.3 | 0 | 0 | 0 | 0 | 107.5 | R39 I43 Q70 | R39-T41 PolarHBondContact O-N 3.38Å; R39-T41 VanDerWaalsContact O-N 3.07Å; T41-I43 PolarHBondContact O-N 3.02Å; T41-Q70 PolarHBondContact OG1-NE2 3.4Å | ||
| 42 | Q | 84.8 | Confident | 71.9 | Confident | 128 Ų | 128 | 87.3 Ų | 87.3 | 60% | 0.598 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 130.7 | 177.6 | -66.9 | -176.3 | -59.1 | 0 | 0 | 109.3 | A40 I44 | A40-Q42 VanDerWaalsContact C-N 3.26Å; A40-Q42 PolarHBondContact O-N 3.42Å; Q42-I44 HydrophobicContact CB-CD1 3.86Å; Q42-I44 PolarHBondContact O-N 3.35Å |
| 43 | I | 94.7 | Very high | 74.8 | Confident | 73 Ų | 73 | 88.4 Ų | 88.4 | 37% | 0.374 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 117.2 | 172.1 | -54.2 | 175.7 | 0 | 0 | 0 | 107.4 | T41 Q70 T72 F141 | T41-I43 PolarHBondContact O-N 3.02Å; I43-Q70 WeakPolarHBondContact CA-O 3.43Å; I43-Q70 HydrophobicContact CB-CB 4.41Å; I43-Q70 HydrophobicContact CG1-CB 3.99Å; I43-Q70 HydrophobicContact CG2-CB 4.42Å; I43-T72 HydrophobicContact CG2-CG2 3.54Å; I43-F141 HydrophobicContact CD1-CZ 4.01Å |
| 44 | I | 97.6 | Very high | 77.2 | Confident | 9 Ų | 9 | 78.5 Ų | 78.5 | 5% | 0.046 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 122.4 | -174.5 | -52.3 | -51.9 | 0 | 0 | 0 | 110.2 | Q42 C46 V66 V68 Q70 V71 T72 L166 | Q42-I44 HydrophobicContact CB-CD1 3.86Å; Q42-I44 PolarHBondContact O-N 3.35Å; I44-C46 PolarHBondContact O-N 2.91Å; I44-V66 HydrophobicContact CG2-CG1 4.34Å; I44-V68 HydrophobicContact CB-CG1 4.23Å; I44-V68 HydrophobicContact CG1-CG1 4.43Å; I44-V68 HydrophobicContact CG2-CG1 4.14Å; I44-Q70 PolarHBondContact N-O 3.06Å; I44-V71 CarbonylContact O-C 3.53Å; I44-V71 WeakPolarHBondContact O-CA 3.29Å; I44-V71 WeakPolarHBondContact O-CB 3.47Å; I44-T72 PolarHBondContact O-N 2.85Å; I44-L166 HydrophobicContact CD1-CD1 3.51Å |
| 45 | P | 98.4 | Very high | 79.7 | Confident | 17 Ų | 17 | 72 Ų | 72 | 11% | 0.11 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 126 | 172.3 | 29 | -33.1 | 0 | 0 | 0 | 109.7 | T72 E158 V159 A162 H163 | P45-T72 VanDerWaalsContact CA-OG1 3.29Å; P45-T72 WeakPolarHBondContact CA-OG1 3.32Å; P45-E158 HydrophobicContact CB-CB 4.13Å; P45-E158 HydrophobicContact CG-CB 4.02Å; P45-V159 HydrophobicContact CB-CG2 3.98Å; P45-A162 HydrophobicContact CG-CB 3.64Å; P45-H163 PolarHBondContact O-NE2 3.46Å |
| 46 | C | 98.7 | Very high | 82 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -130 | 162.5 | -178.5 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | I44 L51 T72 H155 | I44-C46 PolarHBondContact O-N 2.91Å; C46-L51 HydrophobicContact CB-CD1 4.29Å; C46-L51 HydrophobicContact CB-CD2 3.6Å; C46-L51 HydrophobicContact CB-CG 3.83Å; C46-T72 PolarHBondContact N-O 3.15Å; C46-H155 PolarHBondContact O-NE2 3.26Å; C46-H155 VanDerWaalsContact O-NE2 3.1Å | ||
| 47 | T | 98.8 | Very high | 84.5 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 18% | 0.184 | 37% | 0.367 | C | S | . | . | trans | -91 | 158.5 | 158.2 | 59.3 | 0 | 0 | 0 | 0 | 110.5 | S49 Q50 L51 D93 T95 V159 | T47-S49 VanDerWaalsContact C-N 3.3Å; T47-S49 PolarHBondContact O-N 2.88Å; T47-S49 PolarHBondContact OG1-OG 3.03Å; T47-S49 VanDerWaalsContact OG1-OG 3.06Å; T47-Q50 PolarHBondContact O-N 2.89Å; T47-Q50 VanDerWaalsContact OG1-CG 3.23Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.41Å; T47-Q50 PolarHBondContact OG1-N 2.91Å; T47-Q50 PolarHBondContact OG1-OE1 3.14Å; T47-L51 WeakPolarHBondContact O-CG 3.3Å; T47-L51 PolarHBondContact O-N 2.83Å; T47-D93 WeakPolarHBondContact CA-OD2 3.32Å; T47-D93 WeakPolarHBondContact CB-OD2 3.25Å; T47-T95 HydrophobicContact CG2-CG2 3.88Å; T47-V159 HydrophobicContact CG2-CG1 4.22Å | ||
| 48 | V | 98.8 | Very high | 86.7 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.5 | -44.4 | 174.1 | 170 | 0 | 0 | 0 | 0 | 110.7 | Q50 L51 M52 I73 D93 T95 A97 M99 | V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 3.29Å; V48-L51 PolarHBondContact O-N 3.28Å; V48-L51 VanDerWaalsContact O-N 3.14Å; V48-M52 HydrophobicContact CG1-CG 4.03Å; V48-M52 WeakPolarHBondContact O-CB 3.47Å; V48-M52 VanDerWaalsContact O-CG 3.28Å; V48-M52 WeakPolarHBondContact O-CG 3.37Å; V48-M52 PolarHBondContact O-N 2.87Å; V48-I73 HydrophobicContact CG2-CD1 4.34Å; V48-D93 WeakPolarHBondContact CB-OD1 3.4Å; V48-D93 HydrophobicContact CG2-CB 4.2Å; V48-D93 PolarHBondContact N-OD2 3.18Å; V48-T95 PolarHBondContact N-OG1 3.14Å; V48-A97 VanDerWaalsContact CG1-O 3.26Å; V48-A97 WeakPolarHBondContact CG1-O 3.37Å; V48-M99 HydrophobicContact CG1-CB 3.98Å; V48-M99 HydrophobicContact CG1-CE 4.28Å; V48-M99 HydrophobicContact CG2-CB 3.92Å |
| 49 | S | 98.5 | Very high | 88.7 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 31% | 0.308 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.9 | -45.2 | 178.6 | 66.3 | 0 | 0 | 0 | 0 | 112.8 | T47 L51 M52 S53 T95 | T47-S49 VanDerWaalsContact C-N 3.3Å; T47-S49 PolarHBondContact O-N 2.88Å; T47-S49 PolarHBondContact OG1-OG 3.03Å; T47-S49 VanDerWaalsContact OG1-OG 3.06Å; S49-L51 VanDerWaalsContact C-N 3.34Å; S49-L51 PolarHBondContact O-N 3.44Å; S49-M52 PolarHBondContact O-N 3.27Å; S49-S53 WeakPolarHBondContact O-CB 3.23Å; S49-S53 PolarHBondContact O-N 2.8Å; S49-S53 PolarHBondContact O-OG 3.44Å; S49-T95 VanDerWaalsContact CB-O 3.3Å; S49-T95 WeakPolarHBondContact CB-O 3.24Å; S49-T95 WeakPolarHBondContact CB-OG1 3.27Å; S49-T95 PolarHBondContact N-OG1 2.9Å; S49-T95 WeakPolarHBondContact OG-CB 3.45Å; S49-T95 PolarHBondContact OG-OG1 3.47Å |
| 50 | Q | 98.4 | Very high | 90.7 | Very high | 37 Ų | 37 | 62.9 Ų | 62.9 | 17% | 0.173 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.8 | -75.8 | 168.5 | -47.1 | 0 | 0 | 111.6 | T47 V48 S53 A54 V63 V159 | T47-Q50 PolarHBondContact O-N 2.89Å; T47-Q50 VanDerWaalsContact OG1-CG 3.23Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.41Å; T47-Q50 PolarHBondContact OG1-N 2.91Å; T47-Q50 PolarHBondContact OG1-OE1 3.14Å; V48-Q50 VanDerWaalsContact C-N 3.34Å; V48-Q50 PolarHBondContact O-N 3.29Å; Q50-S53 PolarHBondContact O-N 2.68Å; Q50-S53 PolarHBondContact O-OG 2.87Å; Q50-A54 WeakPolarHBondContact O-CA 3.46Å; Q50-A54 WeakPolarHBondContact O-CB 3.27Å; Q50-A54 PolarHBondContact O-N 3.37Å; Q50-V63 HydrophobicContact CB-CG1 3.91Å; Q50-V63 HydrophobicContact CB-CG2 4.01Å; Q50-V63 HydrophobicContact CG-CG1 3.83Å; Q50-V159 VanDerWaalsContact OE1-CG1 3.28Å |
| 51 | L | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 178.3 | -60.5 | -178.9 | 0 | 0 | 0 | 111.9 | C46 T47 V48 S49 V71 I73 M99 L129 R136 V138 | C46-L51 HydrophobicContact CB-CD1 4.29Å; C46-L51 HydrophobicContact CB-CD2 3.6Å; C46-L51 HydrophobicContact CB-CG 3.83Å; T47-L51 WeakPolarHBondContact O-CG 3.3Å; T47-L51 PolarHBondContact O-N 2.83Å; V48-L51 PolarHBondContact O-N 3.28Å; V48-L51 VanDerWaalsContact O-N 3.14Å; S49-L51 VanDerWaalsContact C-N 3.34Å; S49-L51 PolarHBondContact O-N 3.44Å; L51-V71 HydrophobicContact CD1-CG2 4.01Å; L51-V71 HydrophobicContact CD2-CB 4.31Å; L51-V71 HydrophobicContact CD2-CG1 3.8Å; L51-V71 HydrophobicContact CD2-CG2 4.31Å; L51-I73 HydrophobicContact CD1-CG2 3.61Å; L51-M99 HydrophobicContact CB-CE 3.5Å; L51-M99 VanDerWaalsContact CB-CE 3.5Å; L51-M99 HydrophobicContact CD1-CE 3.89Å; L51-M99 HydrophobicContact CG-CE 4.33Å; L51-L129 HydrophobicContact CB-CD1 4.25Å; L51-L129 HydrophobicContact CD2-CD2 4.16Å; L51-R136 VanDerWaalsContact O-CD 3.3Å; L51-R136 WeakPolarHBondContact O-CD 3.47Å; L51-R136 PolarHBondContact O-NH1 2.9Å; L51-V138 HydrophobicContact CD1-CG2 4.19Å |
| 52 | M | 96.8 | Very high | 94.7 | Very high | 87 Ų | 87 | 59 Ų | 59 | 43% | 0.429 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.7 | -34.9 | 178.1 | -68.2 | -57.3 | -71.8 | 0 | 0 | 112.3 | V48 S49 M99 R136 | V48-M52 HydrophobicContact CG1-CG 4.03Å; V48-M52 WeakPolarHBondContact O-CB 3.47Å; V48-M52 VanDerWaalsContact O-CG 3.28Å; V48-M52 WeakPolarHBondContact O-CG 3.37Å; V48-M52 PolarHBondContact O-N 2.87Å; S49-M52 PolarHBondContact O-N 3.27Å; M52-M99 HydrophobicContact CG-CE 4.01Å; M52-M99 HydrophobicContact SD-CE 3.72Å; M52-M99 HydrophobicContact SD-SD 4.1Å; M52-R136 HydrophobicContact SD-CB 3.98Å |
| 53 | S | 95.5 | Very high | 95.2 | Very high | 92 Ų | 92 | 53.9 Ų | 53.9 | 64% | 0.643 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -94.1 | -4.1 | 179.9 | 71.8 | 0 | 0 | 0 | 0 | 114.5 | S49 Q50 S55 | S49-S53 WeakPolarHBondContact O-CB 3.23Å; S49-S53 PolarHBondContact O-N 2.8Å; S49-S53 PolarHBondContact O-OG 3.44Å; Q50-S53 PolarHBondContact O-N 2.68Å; Q50-S53 PolarHBondContact O-OG 2.87Å; S53-S55 PolarHBondContact O-N 2.87Å |
| 54 | A | 96.3 | Very high | 95 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | trans | -58.5 | 133.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q50 F61 R62 V63 V68 R136 | Q50-A54 WeakPolarHBondContact O-CA 3.46Å; Q50-A54 WeakPolarHBondContact O-CB 3.27Å; Q50-A54 PolarHBondContact O-N 3.37Å; A54-F61 HydrophobicContact CB-CB 4.41Å; A54-R62 CarbonylContact C-O 3.42Å; A54-R62 WeakPolarHBondContact CA-O 3.36Å; A54-R62 VanDerWaalsContact CB-O 3.26Å; A54-R62 WeakPolarHBondContact CB-O 3.4Å; A54-V63 HydrophobicContact CB-CG2 3.79Å; A54-V68 HydrophobicContact CB-CG2 4.47Å; A54-R136 PolarHBondContact O-NH1 3.48Å; A54-R136 PolarHBondContact O-NH2 2.91Å | ||
| 55 | S | 95.1 | Very high | 94.6 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 46% | 0.462 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 147.6 | 172.9 | 62.8 | 0 | 0 | 0 | 0 | 109.6 | S53 F61 R62 | S53-S55 PolarHBondContact O-N 2.87Å; S55-F61 CarbonylContact O-C 3.48Å; S55-F61 VanDerWaalsContact O-CA 3.29Å; S55-F61 WeakPolarHBondContact O-CA 3.49Å; S55-R62 PolarHBondContact N-O 3.45Å; S55-R62 PolarHBondContact O-N 3.29Å; S55-R62 PolarHBondContact OG-O 2.95Å |
| 56 | Q | 93.7 | Very high | 94.4 | Very high | 73 Ų | 73 | 58.5 Ų | 58.5 | 34% | 0.341 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122.2 | 177.1 | -177.4 | -179.1 | -0.9 | 0 | 0 | 108.3 | D58 V60 F61 S131 | Q56-D58 WeakPolarHBondContact CG-O 3.48Å; Q56-D58 PolarHBondContact NE2-O 2.83Å; Q56-V60 WeakPolarHBondContact CA-O 3.33Å; Q56-F61 HydrophobicContact CB-CD1 3.92Å; Q56-F61 HydrophobicContact CB-CE1 3.99Å; Q56-F61 VanDerWaalsContact CD-CE1 3.45Å; Q56-F61 HydrophobicContact CG-CD1 4.01Å; Q56-F61 HydrophobicContact CG-CE1 3.77Å; Q56-F61 HydrophobicContact CG-CZ 4.34Å; Q56-S131 VanDerWaalsContact OE1-CB 3.28Å; Q56-S131 PolarHBondContact OE1-OG 3.14Å; Q56-S131 VanDerWaalsContact OE1-OG 3.07Å |
| 57 | V | 91.2 | Very high | 94.1 | Very high | 101 Ų | 101 | 61.4 Ų | 61.4 | 61% | 0.612 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 120.5 | 169.3 | -178.1 | 0 | 0 | 0 | 0 | 106.1 | E59 V60 | V57-E59 PolarHBondContact O-N 2.78Å; V57-V60 PolarHBondContact N-O 3.07Å; V57-V60 VanDerWaalsContact N-O 3.14Å; V57-V60 PolarHBondContact O-N 3.04Å |
| 58 | D | 87 | Confident | 93.9 | Very high | 144 Ų | 144 | 60 Ų | 60 | 77% | 0.77 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | -121 | -167.8 | -54 | -40.9 | 0 | 0 | 0 | 111.7 | Q56 | Q56-D58 WeakPolarHBondContact CG-O 3.48Å; Q56-D58 PolarHBondContact NE2-O 2.83Å |
| 59 | E | 84.3 | Confident | 93.6 | Very high | 177 Ų | 177 | 62.5 Ų | 62.5 | 83% | 0.827 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | 6.3 | 178.5 | -61 | -167.4 | 156.2 | 0 | 0 | 113.5 | V57 | V57-E59 PolarHBondContact O-N 2.78Š|
| 60 | V | 90.6 | Very high | 93.5 | Very high | 57 Ų | 57 | 62.3 Ų | 62.3 | 35% | 0.345 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125.3 | -175.2 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | Q56 V57 E67 | Q56-V60 WeakPolarHBondContact CA-O 3.33Å; V57-V60 PolarHBondContact N-O 3.07Å; V57-V60 VanDerWaalsContact N-O 3.14Å; V57-V60 PolarHBondContact O-N 3.04Å; V60-E67 HydrophobicContact CG1-CG 3.62Å |
| 61 | F | 95.2 | Very high | 93.5 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 4% | 0.044 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 141.9 | 174.1 | -57.3 | -86.2 | 0 | 0 | 0 | 111.4 | A54 S55 Q56 E67 V68 L129 S131 | A54-F61 HydrophobicContact CB-CB 4.41Å; S55-F61 CarbonylContact O-C 3.48Å; S55-F61 VanDerWaalsContact O-CA 3.29Å; S55-F61 WeakPolarHBondContact O-CA 3.49Å; Q56-F61 HydrophobicContact CB-CD1 3.92Å; Q56-F61 HydrophobicContact CB-CE1 3.99Å; Q56-F61 VanDerWaalsContact CD-CE1 3.45Å; Q56-F61 HydrophobicContact CG-CD1 4.01Å; Q56-F61 HydrophobicContact CG-CE1 3.77Å; Q56-F61 HydrophobicContact CG-CZ 4.34Å; F61-E67 WeakPolarHBondContact O-CA 3.26Å; F61-V68 HydrophobicContact CB-CG2 3.72Å; F61-V68 WeakPolarHBondContact CB-O 3.43Å; F61-V68 PolarHBondContact O-N 3.06Å; F61-L129 HydrophobicContact CB-CD2 3.77Å; F61-L129 HydrophobicContact CD1-CD2 3.77Å; F61-L129 HydrophobicContact CD1-CG 4.43Å; F61-L129 HydrophobicContact CD2-CB 4.35Å; F61-L129 HydrophobicContact CD2-CD2 3.73Å; F61-L129 HydrophobicContact CD2-CG 4.01Å; F61-L129 HydrophobicContact CE1-CD2 4.27Å; F61-L129 HydrophobicContact CE1-CG 4.47Å; F61-L129 HydrophobicContact CE2-CB 4.5Å; F61-L129 HydrophobicContact CE2-CD2 4.24Å; F61-L129 HydrophobicContact CE2-CG 4.07Å; F61-L129 HydrophobicContact CG-CD2 3.47Å; F61-L129 VanDerWaalsContact CG-CD2 3.47Å; F61-L129 HydrophobicContact CG-CG 4.2Å; F61-L129 HydrophobicContact CZ-CD2 4.49Å; F61-L129 HydrophobicContact CZ-CG 4.31Å; F61-S131 VanDerWaalsContact CZ-CB 3.5Å |
| 62 | R | 95.6 | Very high | 93.5 | Very high | 90 Ų | 90 | 61.2 Ų | 61.2 | 34% | 0.34 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.8 | 174.2 | -62.6 | -173.4 | 176.2 | -77.6 | -17.4 | 113.2 | A54 S55 G64 D65 V66 E67 | A54-R62 CarbonylContact C-O 3.42Å; A54-R62 WeakPolarHBondContact CA-O 3.36Å; A54-R62 VanDerWaalsContact CB-O 3.26Å; A54-R62 WeakPolarHBondContact CB-O 3.4Å; S55-R62 PolarHBondContact N-O 3.45Å; S55-R62 PolarHBondContact O-N 3.29Å; S55-R62 PolarHBondContact OG-O 2.95Å; R62-G64 WeakPolarHBondContact CB-O 3.14Å; R62-D65 PolarHBondContact NH1-O 3.3Å; R62-V66 CarbonylContact C-O 3.34Å; R62-V66 WeakPolarHBondContact CA-O 3.22Å; R62-E67 IonicContact CZ-OE2 3.2Å; R62-E67 IonicContact NH1-OE2 3.89Å; R62-E67 IonicContact NH2-OE2 3.23Å; R62-E67 PolarHBondContact NH2-OE2 2.88Å |
| 63 | V | 95.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 12% | 0.121 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 100.6 | 167.8 | -180 | 0 | 0 | 0 | 0 | 107.1 | Q50 A54 D65 V66 V68 | Q50-V63 HydrophobicContact CB-CG1 3.91Å; Q50-V63 HydrophobicContact CB-CG2 4.01Å; Q50-V63 HydrophobicContact CG-CG1 3.83Å; A54-V63 HydrophobicContact CB-CG2 3.79Å; V63-D65 PolarHBondContact O-N 3.33Å; V63-V66 PolarHBondContact N-O 3.39Å; V63-V66 PolarHBondContact O-N 2.85Å; V63-V66 VanDerWaalsContact O-N 3.14Å; V63-V68 HydrophobicContact CG2-CG1 4.1Å; V63-V68 HydrophobicContact CG2-CG2 4.01Å |
| 64 | G | 91.6 | Very high | 93.8 | Very high | 62 Ų | 62 | 53.2 Ų | 53.2 | 64% | 0.639 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | -123 | -163.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | R62 | R62-G64 WeakPolarHBondContact CB-O 3.14Š|
| 65 | D | 89.1 | Confident | 93.9 | Very high | 126 Ų | 126 | 53.2 Ų | 53.2 | 67% | 0.674 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.2 | 177.4 | -61.5 | -48.4 | 0 | 0 | 0 | 113.7 | R62 V63 E67 | R62-D65 PolarHBondContact NH1-O 3.3Å; V63-D65 PolarHBondContact O-N 3.33Å; D65-E67 PolarHBondContact O-N 2.91Å |
| 66 | V | 92.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 118.5 | -176 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | I44 R62 V63 V68 L166 | I44-V66 HydrophobicContact CG2-CG1 4.34Å; R62-V66 CarbonylContact C-O 3.34Å; R62-V66 WeakPolarHBondContact CA-O 3.22Å; V63-V66 PolarHBondContact N-O 3.39Å; V63-V66 PolarHBondContact O-N 2.85Å; V63-V66 VanDerWaalsContact O-N 3.14Å; V66-V68 HydrophobicContact CG1-CG1 4.27Å; V66-L166 HydrophobicContact CG1-CB 4.04Å; V66-L166 HydrophobicContact CG1-CD1 4.01Å; V66-L166 HydrophobicContact CG2-CB 3.8Å |
| 67 | E | 93.9 | Very high | 94.3 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 29% | 0.285 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 127.9 | 173.7 | -166.3 | 174 | 132.6 | 0 | 0 | 110.4 | R39 V60 F61 R62 D65 | R39-E67 IonicContact CZ-OE2 3.69Å; R39-E67 VanDerWaalsContact NH1-CD 3.34Å; R39-E67 IonicContact NH1-OE1 2.62Å; R39-E67 PolarHBondContact NH1-OE1 3.48Å; R39-E67 IonicContact NH1-OE2 2.79Å; R39-E67 PolarHBondContact NH1-OE2 3.31Å; V60-E67 HydrophobicContact CG1-CG 3.62Å; F61-E67 WeakPolarHBondContact O-CA 3.26Å; R62-E67 IonicContact CZ-OE2 3.2Å; R62-E67 IonicContact NH1-OE2 3.89Å; R62-E67 IonicContact NH2-OE2 3.23Å; R62-E67 PolarHBondContact NH2-OE2 2.88Å; D65-E67 PolarHBondContact O-N 2.91Å |
| 68 | V | 94.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 117.1 | -177.3 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | I44 A54 F61 V63 V66 V71 L129 | I44-V68 HydrophobicContact CB-CG1 4.23Å; I44-V68 HydrophobicContact CG1-CG1 4.43Å; I44-V68 HydrophobicContact CG2-CG1 4.14Å; A54-V68 HydrophobicContact CB-CG2 4.47Å; F61-V68 HydrophobicContact CB-CG2 3.72Å; F61-V68 WeakPolarHBondContact CB-O 3.43Å; F61-V68 PolarHBondContact O-N 3.06Å; V63-V68 HydrophobicContact CG2-CG1 4.1Å; V63-V68 HydrophobicContact CG2-CG2 4.01Å; V66-V68 HydrophobicContact CG1-CG1 4.27Å; V68-V71 HydrophobicContact CB-CG1 4.09Å; V68-L129 HydrophobicContact CG2-CD2 4.18Å |
| 69 | T | 92.6 | Very high | 95.2 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 34% | 0.337 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -124.2 | -58 | 177.9 | -56.5 | 0 | 0 | 0 | 0 | 110 | N128 L129 | T69-N128 WeakPolarHBondContact O-CA 3.24Å; T69-L129 PolarHBondContact O-N 2.92Å |
| 70 | Q | 96.3 | Very high | 95.9 | Very high | 40 Ų | 40 | 36.5 Ų | 36.5 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.7 | 169 | -66.4 | -179.6 | 34 | 0 | 0 | 108.9 | T41 I43 I44 G127 N128 | T41-Q70 PolarHBondContact OG1-NE2 3.4Å; I43-Q70 WeakPolarHBondContact CA-O 3.43Å; I43-Q70 HydrophobicContact CB-CB 4.41Å; I43-Q70 HydrophobicContact CG1-CB 3.99Å; I43-Q70 HydrophobicContact CG2-CB 4.42Å; I44-Q70 PolarHBondContact N-O 3.06Å; Q70-G127 CarbonylContact C-O 3.51Å; Q70-G127 WeakPolarHBondContact CA-O 3.44Å; Q70-N128 WeakPolarHBondContact CG-OD1 3.46Å |
| 71 | V | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 155 | -172 | -59.3 | 0 | 0 | 0 | 0 | 111.6 | I44 L51 V68 S126 G127 V138 | I44-V71 CarbonylContact O-C 3.53Å; I44-V71 WeakPolarHBondContact O-CA 3.29Å; I44-V71 WeakPolarHBondContact O-CB 3.47Å; L51-V71 HydrophobicContact CD1-CG2 4.01Å; L51-V71 HydrophobicContact CD2-CB 4.31Å; L51-V71 HydrophobicContact CD2-CG1 3.8Å; L51-V71 HydrophobicContact CD2-CG2 4.31Å; V68-V71 HydrophobicContact CB-CG1 4.09Å; V71-S126 WeakPolarHBondContact O-CA 3.46Å; V71-G127 PolarHBondContact N-O 2.91Å; V71-G127 PolarHBondContact O-N 3.45Å; V71-V138 HydrophobicContact CG2-CG2 4.28Å |
| 72 | T | 98.7 | Very high | 96 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 8% | 0.08 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.6 | 160.6 | 58.9 | 0 | 0 | 0 | 0 | 111 | I43 I44 P45 C46 V125 S126 H155 | I43-T72 HydrophobicContact CG2-CG2 3.54Å; I44-T72 PolarHBondContact O-N 2.85Å; P45-T72 VanDerWaalsContact CA-OG1 3.29Å; P45-T72 WeakPolarHBondContact CA-OG1 3.32Å; C46-T72 PolarHBondContact N-O 3.15Å; T72-V125 CarbonylContact C-O 3.55Å; T72-V125 WeakPolarHBondContact CA-O 3.49Å; T72-S126 WeakPolarHBondContact CG2-OG 3.22Å; T72-H155 PolarHBondContact O-CE1 2.61Å; T72-H155 PolarHBondContact OG1-CE1 3.09Å |
| 73 | I | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148.2 | 168 | 63.1 | 173.3 | 0 | 0 | 0 | 109.2 | V48 L51 V91 M99 V101 V125 | V48-I73 HydrophobicContact CG2-CD1 4.34Å; L51-I73 HydrophobicContact CD1-CG2 3.61Å; I73-V91 HydrophobicContact CD1-CB 4.29Å; I73-V91 HydrophobicContact CD1-CG1 4.13Å; I73-M99 HydrophobicContact CD1-CB 4.43Å; I73-M99 HydrophobicContact CD1-CG 4.38Å; I73-V101 HydrophobicContact CD1-CG2 4.2Å; I73-V125 HydrophobicContact CD1-CB 4.41Å; I73-V125 HydrophobicContact CG1-CB 3.71Å; I73-V125 HydrophobicContact CG1-CG1 4.33Å; I73-V125 HydrophobicContact CG1-CG2 4.21Å; I73-V125 PolarHBondContact N-O 2.91Å; I73-V125 PolarHBondContact O-N 3.33Å |
| 74 | V | 98.9 | Very high | 95.4 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.8 | 171.5 | 172.6 | 0 | 0 | 0 | 0 | 108.4 | D93 V123 K124 L146 I152 H155 | V74-D93 VanDerWaalsContact O-CB 3.32Å; V74-D93 WeakPolarHBondContact O-CB 3.27Å; V74-V123 VanDerWaalsContact CA-O 3.32Å; V74-V123 WeakPolarHBondContact CA-O 3.34Å; V74-K124 HydrophobicContact CG2-CB 3.95Å; V74-K124 HydrophobicContact CG2-CD 4.13Å; V74-K124 HydrophobicContact CG2-CG 3.75Å; V74-L146 HydrophobicContact CG1-CD1 4.21Å; V74-L146 HydrophobicContact CG1-CD2 3.81Å; V74-I152 HydrophobicContact CG1-CG1 3.99Å; V74-H155 HydrophobicContact CB-CB 3.97Å; V74-H155 HydrophobicContact CG2-CB 3.65Å |
| 75 | G | 98.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | 176.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | D92 Y122 V123 | G75-D92 CarbonylContact C-O 3.53Å; G75-D92 VanDerWaalsContact CA-O 3.23Å; G75-D92 WeakPolarHBondContact CA-O 3.34Å; G75-Y122 CarbonylContact O-C 3.48Å; G75-Y122 WeakPolarHBondContact O-CA 3.35Å; G75-V123 PolarHBondContact N-O 3.31Å; G75-V123 VanDerWaalsContact N-O 3.1Å; G75-V123 PolarHBondContact O-N 3.46Å |
| 76 | I | 98.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 137.4 | 177.9 | -166.1 | 172.7 | 0 | 0 | 0 | 110.7 | R78 D92 M94 Y122 | I76-R78 PolarHBondContact O-N 2.74Å; I76-D92 HydrophobicContact CG2-CB 4.17Å; I76-D92 PolarHBondContact N-O 3.41Å; I76-D92 PolarHBondContact O-N 2.93Å; I76-M94 HydrophobicContact CG2-CE 3.76Å; I76-Y122 HydrophobicContact CB-CD1 4.15Å; I76-Y122 HydrophobicContact CB-CD2 4.46Å; I76-Y122 HydrophobicContact CB-CE1 3.94Å; I76-Y122 HydrophobicContact CB-CE2 4.27Å; I76-Y122 HydrophobicContact CB-CG 4.42Å; I76-Y122 HydrophobicContact CD1-CD2 4.37Å; I76-Y122 HydrophobicContact CD1-CE2 3.91Å; I76-Y122 HydrophobicContact CG1-CD2 4.33Å; I76-Y122 HydrophobicContact CG1-CE2 4.25Å |
| 77 | I | 98.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 124 | 172.9 | -62 | 174.7 | 0 | 0 | 0 | 109.2 | S79 T80 Y89 L117 P119 G120 T121 V123 | I77-S79 WeakPolarHBondContact CG2-O 3.22Å; I77-T80 WeakPolarHBondContact CG2-OG1 3.32Å; I77-Y89 HydrophobicContact CD1-CD1 3.77Å; I77-Y89 HydrophobicContact CD1-CE1 3.97Å; I77-Y89 HydrophobicContact CD1-CG 4.47Å; I77-Y89 HydrophobicContact CG1-CD1 4.34Å; I77-Y89 HydrophobicContact CG2-CD1 4.07Å; I77-L117 HydrophobicContact CD1-CB 3.53Å; I77-L117 HydrophobicContact CD1-CD1 4.43Å; I77-P119 WeakPolarHBondContact O-CA 3.28Å; I77-G120 PolarHBondContact O-N 3.44Å; I77-T121 PolarHBondContact N-O 2.88Å; I77-V123 HydrophobicContact CD1-CG1 3.67Å; I77-V123 HydrophobicContact CD1-CG2 4.38Å; I77-V123 HydrophobicContact CG1-CG1 4.03Å; I77-V123 HydrophobicContact CG1-CG2 3.95Å |
| 78 | R | 98.7 | Very high | 95.8 | Very high | 123 Ų | 123 | 43 Ų | 43 | 46% | 0.464 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -35.6 | 175 | -62.1 | -57 | -164 | 177.7 | 4.5 | 112.7 | I76 K90 D92 P98 | I76-R78 PolarHBondContact O-N 2.74Å; R78-K90 HydrophobicContact CB-CB 4.28Å; R78-K90 PolarHBondContact N-O 3.41Å; R78-D92 HydrophobicContact CG-CB 3.58Å; R78-D92 IonicContact CZ-OD2 2.83Å; R78-D92 IonicContact NE-OD2 3.93Å; R78-D92 PolarHBondContact NE-OD2 2.91Å; R78-D92 IonicContact NH2-OD2 2.78Å; R78-D92 PolarHBondContact NH2-OD2 3.32Å; R78-P98 HydrophobicContact CG-CB 4.46Å; R78-P98 HydrophobicContact CG-CG 4.16Å |
| 79 | S | 98.5 | Very high | 96 | Very high | 32 Ų | 32 | 43 Ų | 43 | 22% | 0.224 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 154.7 | 174.4 | 67.5 | 0 | 0 | 0 | 0 | 110.7 | I77 Y89 K90 | I77-S79 WeakPolarHBondContact CG2-O 3.22Å; S79-Y89 WeakPolarHBondContact O-CA 3.28Å; S79-K90 PolarHBondContact O-N 2.88Å; S79-K90 WeakPolarHBondContact OG-CB 3.3Å; S79-K90 WeakPolarHBondContact OG-CD 3.5Å; S79-K90 VanDerWaalsContact OG-CG 3.31Å; S79-K90 WeakPolarHBondContact OG-CG 3.43Å |
| 80 | T | 98.2 | Very high | 96.3 | Very high | 33 Ų | 33 | 44.5 Ų | 44.5 | 20% | 0.202 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 122.6 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 108.6 | I77 I87 Q88 Y89 V116 L117 | I77-T80 WeakPolarHBondContact CG2-OG1 3.32Å; T80-I87 HydrophobicContact CG2-CG2 3.9Å; T80-Q88 CarbonylContact C-O 3.49Å; T80-Q88 WeakPolarHBondContact CA-O 3.34Å; T80-Y89 HydrophobicContact CG2-CD1 3.8Å; T80-Y89 HydrophobicContact CG2-CE1 3.51Å; T80-Y89 WeakPolarHBondContact OG1-CD1 3.2Å; T80-V116 HydrophobicContact CG2-CG1 3.54Å; T80-L117 PolarHBondContact OG1-O 3.28Å |
| 81 | D | 96.4 | Very high | 96.4 | Very high | 94 Ų | 94 | 42.6 Ų | 42.6 | 50% | 0.503 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 104.8 | 179.9 | -65.3 | -58.8 | 0 | 0 | 0 | 109.2 | Q88 | D81-Q88 HydrophobicContact CB-CB 4.3Å; D81-Q88 PolarHBondContact N-O 3.1Å; D81-Q88 PolarHBondContact O-N 3.47Å |
| 82 | K | 92.3 | Very high | 96.4 | Very high | 84 Ų | 84 | 43.3 Ų | 43.3 | 37% | 0.365 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 133.3 | 178.5 | 179.6 | 170.5 | 178.6 | 172.5 | 0 | 111.2 | I87 D113 V116 | K82-I87 HydrophobicContact CG-CG1 4.23Å; K82-D113 IonicContact NZ-OD1 2.57Å; K82-D113 PolarHBondContact NZ-OD1 3.49Å; K82-V116 HydrophobicContact CD-CG2 3.73Å |
| 83 | S | 91.3 | Very high | 96.4 | Very high | 57 Ų | 57 | 44 Ų | 44 | 40% | 0.399 | 22% | 0.223 | S | C | . | . | trans | -117.6 | 176 | 168.8 | -67.9 | 0 | 0 | 0 | 0 | 110.4 | T85 N86 | S83-T85 VanDerWaalsContact C-N 3.32Å; S83-T85 PolarHBondContact O-N 3.42Å; S83-N86 CarbonylContact C-O 3.58Å; S83-N86 WeakPolarHBondContact CA-O 3.37Å; S83-N86 PolarHBondContact N-O 3.42Å | ||
| 84 | M | 87.5 | Confident | 96.4 | Very high | 172 Ų | 172 | 49.4 Ų | 49.4 | 85% | 0.847 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -59.7 | -39.6 | 178 | -74.8 | -169.9 | -83.8 | 0 | 0 | 113.1 | V105 T107 | M84-V105 WeakPolarHBondContact O-CG2 3.31Å; M84-T107 WeakPolarHBondContact O-CG2 3.28Å |
| 85 | T | 89.2 | Confident | 96.4 | Very high | 70 Ų | 70 | 51.8 Ų | 51.8 | 43% | 0.429 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -108.5 | -7.8 | -172.4 | 58.3 | 0 | 0 | 0 | 0 | 114 | S83 W104 V105 | S83-T85 VanDerWaalsContact C-N 3.32Å; S83-T85 PolarHBondContact O-N 3.42Å; T85-W104 VanDerWaalsContact O-CE3 3.27Å; T85-V105 PolarHBondContact O-N 3.41Å |
| 86 | N | 92.6 | Very high | 96.3 | Very high | 11 Ų | 11 | 53.6 Ų | 53.6 | 6% | 0.059 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 160.5 | -178.1 | 58.5 | 91.3 | 0 | 0 | 0 | 112.5 | S83 Q88 K102 Q103 W104 | S83-N86 CarbonylContact C-O 3.58Å; S83-N86 WeakPolarHBondContact CA-O 3.37Å; S83-N86 PolarHBondContact N-O 3.42Å; N86-Q88 PolarHBondContact OD1-NE2 3.21Å; N86-K102 HydrophobicContact CB-CG 4.15Å; N86-K102 VanDerWaalsContact CG-CE 3.47Å; N86-Q103 CarbonylContact C-O 3.57Å; N86-Q103 WeakPolarHBondContact CA-O 3.29Å; N86-Q103 VanDerWaalsContact CB-O 3.27Å; N86-Q103 WeakPolarHBondContact CB-O 3.26Å; N86-W104 HydrophobicContact CB-CE3 4.05Å; N86-W104 HydrophobicContact CB-CZ3 4.41Å |
| 87 | I | 95.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.7 | 166.2 | -54.2 | 160.1 | 0 | 0 | 0 | 107.6 | T80 K82 Y89 Q103 V105 V116 | T80-I87 HydrophobicContact CG2-CG2 3.9Å; K82-I87 HydrophobicContact CG-CG1 4.23Å; I87-Y89 HydrophobicContact CB-CE2 4.14Å; I87-Y89 HydrophobicContact CG2-CD1 4.28Å; I87-Y89 HydrophobicContact CG2-CD2 4.24Å; I87-Y89 HydrophobicContact CG2-CE1 3.69Å; I87-Y89 HydrophobicContact CG2-CE2 3.65Å; I87-Q103 PolarHBondContact N-O 2.89Å; I87-Q103 PolarHBondContact O-N 3.14Å; I87-V105 HydrophobicContact CD1-CG1 3.61Å; I87-V105 HydrophobicContact CG1-CG1 3.7Å; I87-V116 HydrophobicContact CD1-CG2 3.91Å; I87-V116 HydrophobicContact CG2-CG1 4.49Å |
| 88 | Q | 97.6 | Very high | 96.2 | Very high | 81 Ų | 81 | 58.3 Ų | 58.3 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.8 | 174.8 | -70.7 | 171.6 | 58.5 | 0 | 0 | 109.3 | T80 D81 N86 V101 K102 | T80-Q88 CarbonylContact C-O 3.49Å; T80-Q88 WeakPolarHBondContact CA-O 3.34Å; D81-Q88 HydrophobicContact CB-CB 4.3Å; D81-Q88 PolarHBondContact N-O 3.1Å; D81-Q88 PolarHBondContact O-N 3.47Å; N86-Q88 PolarHBondContact OD1-NE2 3.21Å; Q88-V101 CarbonylContact C-O 3.49Å; Q88-V101 WeakPolarHBondContact CA-O 3.32Å; Q88-K102 HydrophobicContact CG-CG 4.34Å |
| 89 | Y | 98.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.008 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 147.5 | 175.7 | -56.7 | -76.6 | 0 | 0 | 0 | 109.7 | I77 S79 T80 I87 V101 Q103 L117 V143 | I77-Y89 HydrophobicContact CD1-CD1 3.77Å; I77-Y89 HydrophobicContact CD1-CE1 3.97Å; I77-Y89 HydrophobicContact CD1-CG 4.47Å; I77-Y89 HydrophobicContact CG1-CD1 4.34Å; I77-Y89 HydrophobicContact CG2-CD1 4.07Å; S79-Y89 WeakPolarHBondContact O-CA 3.28Å; T80-Y89 HydrophobicContact CG2-CD1 3.8Å; T80-Y89 HydrophobicContact CG2-CE1 3.51Å; T80-Y89 WeakPolarHBondContact OG1-CD1 3.2Å; I87-Y89 HydrophobicContact CB-CE2 4.14Å; I87-Y89 HydrophobicContact CG2-CD1 4.28Å; I87-Y89 HydrophobicContact CG2-CD2 4.24Å; I87-Y89 HydrophobicContact CG2-CE1 3.69Å; I87-Y89 HydrophobicContact CG2-CE2 3.65Å; Y89-V101 PolarHBondContact N-O 3.3Å; Y89-V101 PolarHBondContact O-N 3.18Å; Y89-Q103 HydrophobicContact CE2-CB 4.46Å; Y89-L117 HydrophobicContact CE1-CB 4.17Å; Y89-L117 WeakPolarHBondContact CE1-O 3.42Å; Y89-L117 PolarHBondContact OH-N 3.34Å; Y89-V143 HydrophobicContact CD2-CG1 4.45Å; Y89-V143 HydrophobicContact CD2-CG2 4.45Å; Y89-V143 HydrophobicContact CE2-CB 4.47Å; Y89-V143 HydrophobicContact CE2-CG1 4.16Å; Y89-V143 HydrophobicContact CE2-CG2 4.25Å |
| 90 | K | 98.8 | Very high | 96.2 | Very high | 86 Ų | 86 | 53 Ų | 53 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 111.4 | 161.4 | -70.5 | -169.1 | 177.9 | -171.6 | 0 | 109.3 | R78 S79 P98 M99 D100 | R78-K90 HydrophobicContact CB-CB 4.28Å; R78-K90 PolarHBondContact N-O 3.41Å; S79-K90 PolarHBondContact O-N 2.88Å; S79-K90 WeakPolarHBondContact OG-CB 3.3Å; S79-K90 WeakPolarHBondContact OG-CD 3.5Å; S79-K90 VanDerWaalsContact OG-CG 3.31Å; S79-K90 WeakPolarHBondContact OG-CG 3.43Å; K90-P98 HydrophobicContact CB-CB 4.04Å; K90-M99 WeakPolarHBondContact CA-O 3.49Å; K90-D100 WeakPolarHBondContact CE-OD1 3.31Å; K90-D100 WeakPolarHBondContact CG-OD1 3.31Å |
| 91 | V | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.3 | -175.2 | -178.4 | 0 | 0 | 0 | 0 | 110 | I73 P98 M99 V101 V123 V125 | I73-V91 HydrophobicContact CD1-CB 4.29Å; I73-V91 HydrophobicContact CD1-CG1 4.13Å; V91-P98 CarbonylContact O-C 3.57Å; V91-P98 WeakPolarHBondContact O-CA 3.28Å; V91-M99 PolarHBondContact N-O 2.89Å; V91-M99 PolarHBondContact O-N 2.8Å; V91-V101 HydrophobicContact CB-CG2 4.05Å; V91-V101 HydrophobicContact CG2-CB 4.24Å; V91-V101 HydrophobicContact CG2-CG2 3.67Å; V91-V123 HydrophobicContact CG1-CG2 4.2Å; V91-V123 HydrophobicContact CG2-CG2 4.18Å; V91-V125 HydrophobicContact CG2-CG2 4.23Å |
| 92 | D | 98.8 | Very high | 96.3 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 8% | 0.08 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.1 | -176.2 | -177.7 | 8.2 | 0 | 0 | 0 | 111.1 | G75 I76 R78 M94 P98 | G75-D92 CarbonylContact C-O 3.53Å; G75-D92 VanDerWaalsContact CA-O 3.23Å; G75-D92 WeakPolarHBondContact CA-O 3.34Å; I76-D92 HydrophobicContact CG2-CB 4.17Å; I76-D92 PolarHBondContact N-O 3.41Å; I76-D92 PolarHBondContact O-N 2.93Å; R78-D92 HydrophobicContact CG-CB 3.58Å; R78-D92 IonicContact CZ-OD2 2.83Å; R78-D92 IonicContact NE-OD2 3.93Å; R78-D92 PolarHBondContact NE-OD2 2.91Å; R78-D92 IonicContact NH2-OD2 2.78Å; R78-D92 PolarHBondContact NH2-OD2 3.32Å; D92-M94 WeakPolarHBondContact OD1-CA 3.49Å; D92-M94 PolarHBondContact OD1-N 2.9Å; D92-P98 HydrophobicContact CB-CB 4.22Å; D92-P98 HydrophobicContact CB-CG 4.07Å |
| 93 | D | 98.5 | Very high | 96.4 | Very high | 29 Ų | 29 | 47.5 Ų | 47.5 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | trans | -108.6 | 9.9 | 176.3 | 76.8 | -10.7 | 0 | 0 | 0 | 113 | T47 V48 V74 T95 | T47-D93 WeakPolarHBondContact CA-OD2 3.32Å; T47-D93 WeakPolarHBondContact CB-OD2 3.25Å; V48-D93 WeakPolarHBondContact CB-OD1 3.4Å; V48-D93 HydrophobicContact CG2-CB 4.2Å; V48-D93 PolarHBondContact N-OD2 3.18Å; V74-D93 VanDerWaalsContact O-CB 3.32Å; V74-D93 WeakPolarHBondContact O-CB 3.27Å; D93-T95 VanDerWaalsContact CG-OG1 3.25Å; D93-T95 PolarHBondContact O-N 3.24Å; D93-T95 WeakPolarHBondContact OD1-CB 3.45Å; D93-T95 WeakPolarHBondContact OD1-CG2 3.29Å; D93-T95 PolarHBondContact OD1-N 2.8Å; D93-T95 PolarHBondContact OD1-OG1 3.1Å; D93-T95 PolarHBondContact OD2-OG1 3.3Å | ||
| 94 | M | 98.4 | Very high | 96.4 | Very high | 113 Ų | 113 | 51.8 Ų | 51.8 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 69.7 | 5.2 | -177.2 | -43.8 | -65.4 | 143.6 | 0 | 0 | 115.8 | I76 D92 | I76-M94 HydrophobicContact CG2-CE 3.76Å; D92-M94 WeakPolarHBondContact OD1-CA 3.49Å; D92-M94 PolarHBondContact OD1-N 2.9Å |
| 95 | T | 98.5 | Very high | 96.4 | Very high | 60 Ų | 60 | 44.7 Ų | 44.7 | 37% | 0.368 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -92.9 | -14.3 | 179.7 | 70.4 | 0 | 0 | 0 | 0 | 113.5 | T47 V48 S49 D93 | T47-T95 HydrophobicContact CG2-CG2 3.88Å; V48-T95 PolarHBondContact N-OG1 3.14Å; S49-T95 VanDerWaalsContact CB-O 3.3Å; S49-T95 WeakPolarHBondContact CB-O 3.24Å; S49-T95 WeakPolarHBondContact CB-OG1 3.27Å; S49-T95 PolarHBondContact N-OG1 2.9Å; S49-T95 WeakPolarHBondContact OG-CB 3.45Å; S49-T95 PolarHBondContact OG-OG1 3.47Å; D93-T95 VanDerWaalsContact CG-OG1 3.25Å; D93-T95 PolarHBondContact O-N 3.24Å; D93-T95 WeakPolarHBondContact OD1-CB 3.45Å; D93-T95 WeakPolarHBondContact OD1-CG2 3.29Å; D93-T95 PolarHBondContact OD1-N 2.8Å; D93-T95 PolarHBondContact OD1-OG1 3.1Å; D93-T95 PolarHBondContact OD2-OG1 3.3Å |
| 96 | G | 96.3 | Very high | 96 | Very high | 40 Ų | 40 | 46.1 Ų | 46.1 | 41% | 0.412 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -167.4 | -162.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 97 | A | 97.7 | Very high | 95.2 | Very high | 70 Ų | 70 | 50.4 Ų | 50.4 | 58% | 0.579 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -66.6 | 147.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | V48 M99 | V48-A97 VanDerWaalsContact CG1-O 3.26Å; V48-A97 WeakPolarHBondContact CG1-O 3.37Å; A97-M99 PolarHBondContact O-N 3.46Å |
| 98 | P | 98.6 | Very high | 94.3 | Very high | 52 Ų | 52 | 58.5 Ų | 58.5 | 34% | 0.338 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -54 | 135.5 | -179.6 | -25.9 | 33.6 | 0 | 0 | 0 | 112.7 | R78 K90 V91 D92 | R78-P98 HydrophobicContact CG-CB 4.46Å; R78-P98 HydrophobicContact CG-CG 4.16Å; K90-P98 HydrophobicContact CB-CB 4.04Å; V91-P98 CarbonylContact O-C 3.57Å; V91-P98 WeakPolarHBondContact O-CA 3.28Å; D92-P98 HydrophobicContact CB-CB 4.22Å; D92-P98 HydrophobicContact CB-CG 4.07Å |
| 99 | M | 98.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 134.2 | 178.8 | 179.1 | 67.2 | 76.4 | 0 | 0 | 110.7 | V48 L51 M52 I73 K90 V91 A97 V101 V138 | V48-M99 HydrophobicContact CG1-CB 3.98Å; V48-M99 HydrophobicContact CG1-CE 4.28Å; V48-M99 HydrophobicContact CG2-CB 3.92Å; L51-M99 HydrophobicContact CB-CE 3.5Å; L51-M99 VanDerWaalsContact CB-CE 3.5Å; L51-M99 HydrophobicContact CD1-CE 3.89Å; L51-M99 HydrophobicContact CG-CE 4.33Å; M52-M99 HydrophobicContact CG-CE 4.01Å; M52-M99 HydrophobicContact SD-CE 3.72Å; M52-M99 HydrophobicContact SD-SD 4.1Å; I73-M99 HydrophobicContact CD1-CB 4.43Å; I73-M99 HydrophobicContact CD1-CG 4.38Å; K90-M99 WeakPolarHBondContact CA-O 3.49Å; V91-M99 PolarHBondContact N-O 2.89Å; V91-M99 PolarHBondContact O-N 2.8Å; A97-M99 PolarHBondContact O-N 3.46Å; M99-V101 HydrophobicContact CG-CG2 4.27Å; M99-V101 PolarHBondContact O-N 2.7Å; M99-V138 HydrophobicContact CG-CG2 4.08Å; M99-V138 HydrophobicContact SD-CG2 4.38Å |
| 100 | D | 98.6 | Very high | 91.9 | Very high | 41 Ų | 41 | 63.9 Ų | 63.9 | 22% | 0.219 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 122.2 | 170.3 | -70.2 | -57.1 | 0 | 0 | 0 | 110.2 | K90 H135 S137 V138 | K90-D100 WeakPolarHBondContact CE-OD1 3.31Å; K90-D100 WeakPolarHBondContact CG-OD1 3.31Å; D100-H135 IonicContact OD2-CE1 3.17Å; D100-H135 PolarHBondContact OD2-CE1 2.99Å; D100-H135 IonicContact OD2-NE2 3.53Å; D100-H135 PolarHBondContact OD2-NE2 3.01Å; D100-S137 CarbonylContact O-C 3.52Å; D100-S137 WeakPolarHBondContact O-CA 3.24Å; D100-S137 VanDerWaalsContact O-CB 3.24Å; D100-S137 WeakPolarHBondContact O-CB 3.23Å; D100-V138 PolarHBondContact O-N 3.04Å |
| 101 | V | 98.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 120.7 | -178.5 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | I73 Q88 Y89 V91 M99 V125 V138 A140 V143 | I73-V101 HydrophobicContact CD1-CG2 4.2Å; Q88-V101 CarbonylContact C-O 3.49Å; Q88-V101 WeakPolarHBondContact CA-O 3.32Å; Y89-V101 PolarHBondContact N-O 3.3Å; Y89-V101 PolarHBondContact O-N 3.18Å; V91-V101 HydrophobicContact CB-CG2 4.05Å; V91-V101 HydrophobicContact CG2-CB 4.24Å; V91-V101 HydrophobicContact CG2-CG2 3.67Å; M99-V101 HydrophobicContact CG-CG2 4.27Å; M99-V101 PolarHBondContact O-N 2.7Å; V101-V125 HydrophobicContact CG1-CG1 3.63Å; V101-V125 HydrophobicContact CG1-CG2 4.33Å; V101-V125 HydrophobicContact CG2-CG1 4.42Å; V101-V138 CarbonylContact C-O 3.57Å; V101-V138 VanDerWaalsContact CA-O 3.31Å; V101-V138 WeakPolarHBondContact CA-O 3.25Å; V101-V138 HydrophobicContact CG2-CB 4.31Å; V101-A140 HydrophobicContact CG1-CB 3.77Å; V101-V143 HydrophobicContact CG1-CG2 4.4Å |
| 102 | K | 97.4 | Very high | 89.4 | Confident | 58 Ų | 58 | 63 Ų | 63 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.8 | 179.7 | -175.9 | 178.1 | -178 | 175.6 | 0 | 110.8 | N86 Q88 W104 V138 V139 A140 | N86-K102 HydrophobicContact CB-CG 4.15Å; N86-K102 VanDerWaalsContact CG-CE 3.47Å; Q88-K102 HydrophobicContact CG-CG 4.34Å; K102-W104 HydrophobicContact CD-CZ2 4.34Å; K102-W104 VanDerWaalsContact NZ-CZ2 3.26Å; K102-V138 PolarHBondContact N-O 3.49Å; K102-V139 CarbonylContact O-C 3.6Å; K102-V139 WeakPolarHBondContact O-CA 3.29Å; K102-A140 PolarHBondContact O-N 2.64Å |
| 103 | Q | 95.2 | Very high | 88 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 18% | 0.178 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125 | 172.4 | -174.9 | 178.1 | 13.9 | 0 | 0 | 109.2 | N86 I87 Y89 V143 | N86-Q103 CarbonylContact C-O 3.57Å; N86-Q103 WeakPolarHBondContact CA-O 3.29Å; N86-Q103 VanDerWaalsContact CB-O 3.27Å; N86-Q103 WeakPolarHBondContact CB-O 3.26Å; I87-Q103 PolarHBondContact N-O 2.89Å; I87-Q103 PolarHBondContact O-N 3.14Å; Y89-Q103 HydrophobicContact CE2-CB 4.46Å; Q103-V143 HydrophobicContact CB-CG2 4.37Å |
| 104 | W | 91.1 | Very high | 86.7 | Confident | 146 Ų | 146 | 72 Ų | 72 | 55% | 0.553 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 141.3 | 172.1 | -65.4 | 104 | 0 | 0 | 0 | 109.8 | T85 N86 K102 | T85-W104 VanDerWaalsContact O-CE3 3.27Å; N86-W104 HydrophobicContact CB-CE3 4.05Å; N86-W104 HydrophobicContact CB-CZ3 4.41Å; K102-W104 HydrophobicContact CD-CZ2 4.34Å; K102-W104 VanDerWaalsContact NZ-CZ2 3.26Å |
| 105 | V | 86.7 | Confident | 85.8 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 15% | 0.145 | 40% | 0.403 | C | S | . | . | trans | -113.2 | 143.7 | 175.7 | -61.9 | 0 | 0 | 0 | 0 | 110 | M84 T85 I87 T107 V112 | M84-V105 WeakPolarHBondContact O-CG2 3.31Å; T85-V105 PolarHBondContact O-N 3.41Å; I87-V105 HydrophobicContact CD1-CG1 3.61Å; I87-V105 HydrophobicContact CG1-CG1 3.7Å; V105-T107 PolarHBondContact O-N 3.26Å; V105-V112 HydrophobicContact CB-CG1 3.61Å; V105-V112 HydrophobicContact CB-CG2 4.15Å; V105-V112 HydrophobicContact CG1-CG1 3.54Å; V105-V112 HydrophobicContact CG2-CG1 4.05Å | ||
| 106 | D | 81.7 | Confident | 85.5 | Confident | 99 Ų | 99 | 68.8 Ų | 68.8 | 53% | 0.529 | 40% | 0.398 | S | S | . | . | trans | -78.9 | 116.4 | 169.5 | -167.7 | -20.6 | 0 | 0 | 0 | 108.7 | E108 D109 V112 | D106-E108 PolarHBondContact O-N 2.81Å; D106-E108 PolarHBondContact OD1-N 3.13Å; D106-D109 HydrophobicContact CB-CB 4.17Å; D106-D109 PolarHBondContact O-N 3.39Å; D106-V112 WeakPolarHBondContact O-CG2 3.41Å | ||
| 107 | T | 76.4 | Confident | 85.5 | Confident | 102 Ų | 102 | 68.1 Ų | 68.1 | 63% | 0.626 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -15.7 | -178.5 | 46.5 | 0 | 0 | 0 | 0 | 113.4 | M84 V105 | M84-T107 WeakPolarHBondContact O-CG2 3.28Å; V105-T107 PolarHBondContact O-N 3.26Å |
| 108 | E | 75.8 | Confident | 85.4 | Confident | 170 Ų | 170 | 68.2 Ų | 68.2 | 79% | 0.794 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -12.9 | 179.5 | -58.6 | -171.6 | 172.5 | 0 | 0 | 112.7 | D106 P110 | D106-E108 PolarHBondContact O-N 2.81Å; D106-E108 PolarHBondContact OD1-N 3.13Å; E108-P110 VanDerWaalsContact O-CD 3.27Å; E108-P110 WeakPolarHBondContact O-CD 3.42Å |
| 109 | D | 75.9 | Confident | 85.4 | Confident | 72 Ų | 72 | 69.5 Ų | 69.5 | 39% | 0.385 | 39% | 0.388 | S | S | . | . | trans | -87 | 110.3 | 179.2 | -175.3 | -8.2 | 0 | 0 | 0 | 110.9 | D106 S111 V112 | D106-D109 HydrophobicContact CB-CB 4.17Å; D106-D109 PolarHBondContact O-N 3.39Å; D109-S111 PolarHBondContact O-N 3.4Å; D109-S111 VanDerWaalsContact O-N 3.15Å; D109-S111 VanDerWaalsContact OD1-CB 3.23Å; D109-S111 WeakPolarHBondContact OD1-CB 3.49Å; D109-S111 PolarHBondContact OD1-N 2.88Å; D109-S111 PolarHBondContact OD1-OG 3.03Å; D109-S111 PolarHBondContact OD2-OG 3.42Å; D109-V112 HydrophobicContact CB-CG2 4.01Å; D109-V112 VanDerWaalsContact O-CG2 3.23Å; D109-V112 WeakPolarHBondContact O-CG2 3.41Å; D109-V112 PolarHBondContact O-N 2.73Å | ||
| 110 | P | 69.6 | Low | 85.4 | Confident | 123 Ų | 123 | 71.7 Ų | 71.7 | 80% | 0.799 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -68.1 | -12.1 | 180 | 29.1 | -34.8 | 0 | 0 | 0 | 113.2 | E108 V112 | E108-P110 VanDerWaalsContact O-CD 3.27Å; E108-P110 WeakPolarHBondContact O-CD 3.42Å; P110-V112 VanDerWaalsContact C-N 3.28Å; P110-V112 PolarHBondContact O-N 3.32Å |
| 111 | S | 74.4 | Confident | 85.4 | Confident | 50 Ų | 50 | 71.4 Ų | 71.4 | 35% | 0.35 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -78.3 | -9.2 | 179 | 77.4 | 0 | 0 | 0 | 0 | 113.8 | D109 D113 S114 T115 | D109-S111 PolarHBondContact O-N 3.4Å; D109-S111 VanDerWaalsContact O-N 3.15Å; D109-S111 VanDerWaalsContact OD1-CB 3.23Å; D109-S111 WeakPolarHBondContact OD1-CB 3.49Å; D109-S111 PolarHBondContact OD1-N 2.88Å; D109-S111 PolarHBondContact OD1-OG 3.03Å; D109-S111 PolarHBondContact OD2-OG 3.42Å; S111-D113 VanDerWaalsContact C-N 3.26Å; S111-D113 PolarHBondContact O-N 3.09Å; S111-D113 VanDerWaalsContact O-N 3.16Å; S111-S114 WeakPolarHBondContact O-CA 3.17Å; S111-S114 WeakPolarHBondContact O-CB 3.43Å; S111-S114 PolarHBondContact O-N 3.01Å; S111-T115 PolarHBondContact O-N 2.82Å |
| 112 | V | 69.8 | Low | 85.4 | Confident | 17 Ų | 17 | 75 Ų | 75 | 10% | 0.103 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -59.7 | -30.7 | -174.8 | 174.2 | 0 | 0 | 0 | 0 | 113.6 | V105 D106 D109 P110 S114 T115 V116 | V105-V112 HydrophobicContact CB-CG1 3.61Å; V105-V112 HydrophobicContact CB-CG2 4.15Å; V105-V112 HydrophobicContact CG1-CG1 3.54Å; V105-V112 HydrophobicContact CG2-CG1 4.05Å; D106-V112 WeakPolarHBondContact O-CG2 3.41Å; D109-V112 HydrophobicContact CB-CG2 4.01Å; D109-V112 VanDerWaalsContact O-CG2 3.23Å; D109-V112 WeakPolarHBondContact O-CG2 3.41Å; D109-V112 PolarHBondContact O-N 2.73Å; P110-V112 VanDerWaalsContact C-N 3.28Å; P110-V112 PolarHBondContact O-N 3.32Å; V112-S114 VanDerWaalsContact C-N 3.28Å; V112-S114 PolarHBondContact O-N 2.79Å; V112-T115 WeakPolarHBondContact CA-OG1 3.45Å; V112-T115 PolarHBondContact O-N 2.9Å; V112-T115 PolarHBondContact O-OG1 3.1Å; V112-V116 WeakPolarHBondContact O-CG2 3.15Å |
| 113 | D | 70.4 | Confident | 85.4 | Confident | 124 Ų | 124 | 72.2 Ų | 72.2 | 66% | 0.663 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -66.3 | -32.4 | 172.9 | -80.1 | -38.1 | 0 | 0 | 0 | 112.4 | K82 S111 T115 | K82-D113 IonicContact NZ-OD1 2.57Å; K82-D113 PolarHBondContact NZ-OD1 3.49Å; S111-D113 VanDerWaalsContact C-N 3.26Å; S111-D113 PolarHBondContact O-N 3.09Å; S111-D113 VanDerWaalsContact O-N 3.16Å; D113-T115 VanDerWaalsContact C-N 3.32Å |
| 114 | S | 71.4 | Confident | 85.6 | Confident | 109 Ų | 109 | 72 Ų | 72 | 76% | 0.762 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -14.5 | 179.7 | -55.7 | 0 | 0 | 0 | 0 | 113 | S111 V112 | S111-S114 WeakPolarHBondContact O-CA 3.17Å; S111-S114 WeakPolarHBondContact O-CB 3.43Å; S111-S114 PolarHBondContact O-N 3.01Å; V112-S114 VanDerWaalsContact C-N 3.28Å; V112-S114 PolarHBondContact O-N 2.79Å |
| 115 | T | 78.6 | Confident | 86 | Confident | 65 Ų | 65 | 65.1 Ų | 65.1 | 40% | 0.399 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -4.8 | -179 | 61 | 0 | 0 | 0 | 0 | 113.7 | S111 V112 D113 L117 | S111-T115 PolarHBondContact O-N 2.82Å; V112-T115 WeakPolarHBondContact CA-OG1 3.45Å; V112-T115 PolarHBondContact O-N 2.9Å; V112-T115 PolarHBondContact O-OG1 3.1Å; D113-T115 VanDerWaalsContact C-N 3.32Å; T115-L117 PolarHBondContact O-N 2.91Å |
| 116 | V | 92.3 | Very high | 86.5 | Confident | 41 Ų | 41 | 65 Ų | 65 | 25% | 0.248 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 119.2 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 109.9 | T80 K82 I87 V112 | T80-V116 HydrophobicContact CG2-CG1 3.54Å; K82-V116 HydrophobicContact CD-CG2 3.73Å; I87-V116 HydrophobicContact CD1-CG2 3.91Å; I87-V116 HydrophobicContact CG2-CG1 4.49Å; V112-V116 WeakPolarHBondContact O-CG2 3.15Å |
| 117 | L | 95.8 | Very high | 87.3 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 14% | 0.136 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 130.8 | 179.4 | -58.9 | 176.9 | 0 | 0 | 0 | 111 | I77 T80 Y89 T115 V123 V143 P145 | I77-L117 HydrophobicContact CD1-CB 3.53Å; I77-L117 HydrophobicContact CD1-CD1 4.43Å; T80-L117 PolarHBondContact OG1-O 3.28Å; Y89-L117 HydrophobicContact CE1-CB 4.17Å; Y89-L117 WeakPolarHBondContact CE1-O 3.42Å; Y89-L117 PolarHBondContact OH-N 3.34Å; T115-L117 PolarHBondContact O-N 2.91Å; L117-V123 HydrophobicContact CD1-CG1 3.53Å; L117-V143 HydrophobicContact CD1-CG1 3.89Å; L117-P145 HydrophobicContact CD2-CB 4.42Å; L117-P145 HydrophobicContact CD2-CG 4.24Å |
| 118 | P | 96.7 | Very high | 88.2 | Confident | 73 Ų | 73 | 57.2 Ų | 57.2 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 161.7 | -177.8 | 31.1 | -34.6 | 0 | 0 | 0 | 112.6 | T121 | P118-T121 WeakPolarHBondContact O-CB 3.47Å; P118-T121 PolarHBondContact O-N 3.36Å; P118-T121 PolarHBondContact O-OG1 3.28Å |
| 119 | P | 98.4 | Very high | 89.3 | Confident | 78 Ų | 78 | 49.1 Ų | 49.1 | 51% | 0.506 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 145.1 | 167.1 | -24.5 | 35.1 | 0 | 0 | 0 | 112.3 | I77 | I77-P119 WeakPolarHBondContact O-CA 3.28Š|
| 120 | G | 98.4 | Very high | 90.2 | Very high | 48 Ų | 48 | 51.6 Ų | 51.6 | 50% | 0.495 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -10.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I77 | I77-G120 PolarHBondContact O-N 3.44Š|
| 121 | T | 98.5 | Very high | 91.3 | Very high | 35 Ų | 35 | 47.3 Ų | 47.3 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | trans | -80.8 | 130.3 | 176.1 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | I77 P118 V123 P145 | I77-T121 PolarHBondContact N-O 2.88Å; P118-T121 WeakPolarHBondContact O-CB 3.47Å; P118-T121 PolarHBondContact O-N 3.36Å; P118-T121 PolarHBondContact O-OG1 3.28Å; T121-V123 HydrophobicContact CG2-CG1 4.07Å; T121-P145 HydrophobicContact CG2-CB 3.91Å | ||
| 122 | Y | 98.8 | Very high | 92 | Very high | 77 Ų | 77 | 51.9 Ų | 51.9 | 30% | 0.302 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 134.4 | 167.5 | -84.2 | -86.7 | 0 | 0 | 0 | 110.3 | G75 I76 P145 L146 M149 I152 | G75-Y122 CarbonylContact O-C 3.48Å; G75-Y122 WeakPolarHBondContact O-CA 3.35Å; I76-Y122 HydrophobicContact CB-CD1 4.15Å; I76-Y122 HydrophobicContact CB-CD2 4.46Å; I76-Y122 HydrophobicContact CB-CE1 3.94Å; I76-Y122 HydrophobicContact CB-CE2 4.27Å; I76-Y122 HydrophobicContact CB-CG 4.42Å; I76-Y122 HydrophobicContact CD1-CD2 4.37Å; I76-Y122 HydrophobicContact CD1-CE2 3.91Å; I76-Y122 HydrophobicContact CG1-CD2 4.33Å; I76-Y122 HydrophobicContact CG1-CE2 4.25Å; Y122-P145 CarbonylContact O-C 3.54Å; Y122-P145 WeakPolarHBondContact O-CA 3.28Å; Y122-L146 PolarHBondContact O-N 2.99Å; Y122-M149 HydrophobicContact CD2-CE 3.59Å; Y122-M149 HydrophobicContact CD2-SD 4.22Å; Y122-M149 HydrophobicContact CE2-CE 3.71Å; Y122-M149 HydrophobicContact CG-CE 4.03Å; Y122-M149 HydrophobicContact CG-SD 4.38Å; Y122-I152 HydrophobicContact CD1-CD1 3.58Å; Y122-I152 HydrophobicContact CD1-CG1 4.31Å; Y122-I152 HydrophobicContact CE1-CD1 3.57Å; Y122-I152 HydrophobicContact CG-CD1 4.11Å |
| 123 | V | 98.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148 | -176.3 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | V74 G75 I77 V91 L117 T121 V125 V143 R144 | V74-V123 VanDerWaalsContact CA-O 3.32Å; V74-V123 WeakPolarHBondContact CA-O 3.34Å; G75-V123 PolarHBondContact N-O 3.31Å; G75-V123 VanDerWaalsContact N-O 3.1Å; G75-V123 PolarHBondContact O-N 3.46Å; I77-V123 HydrophobicContact CD1-CG1 3.67Å; I77-V123 HydrophobicContact CD1-CG2 4.38Å; I77-V123 HydrophobicContact CG1-CG1 4.03Å; I77-V123 HydrophobicContact CG1-CG2 3.95Å; V91-V123 HydrophobicContact CG1-CG2 4.2Å; V91-V123 HydrophobicContact CG2-CG2 4.18Å; L117-V123 HydrophobicContact CD1-CG1 3.53Å; T121-V123 HydrophobicContact CG2-CG1 4.07Å; V123-V125 HydrophobicContact CG2-CG2 3.89Å; V123-V143 HydrophobicContact CB-CG1 4.17Å; V123-V143 HydrophobicContact CG1-CG1 4.19Å; V123-V143 HydrophobicContact CG2-CG1 4.41Å; V123-R144 CarbonylContact C-O 3.58Å; V123-R144 WeakPolarHBondContact CA-O 3.49Å; V123-R144 WeakPolarHBondContact CB-O 3.42Å |
| 124 | K | 98.7 | Very high | 93.6 | Very high | 34 Ų | 34 | 60 Ų | 60 | 15% | 0.148 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.3 | 160.4 | -169.5 | 166.5 | -164.6 | 162.4 | 0 | 107.5 | V74 R144 L146 E158 | V74-K124 HydrophobicContact CG2-CB 3.95Å; V74-K124 HydrophobicContact CG2-CD 4.13Å; V74-K124 HydrophobicContact CG2-CG 3.75Å; K124-R144 HydrophobicContact CB-CG 4.03Å; K124-R144 VanDerWaalsContact CD-NH2 3.27Å; K124-R144 PolarHBondContact N-O 3.37Å; K124-R144 PolarHBondContact O-N 3.24Å; K124-L146 HydrophobicContact CB-CD1 3.96Å; K124-E158 IonicContact NZ-OE2 3.14Å; K124-E158 PolarHBondContact NZ-OE2 2.84Å |
| 125 | V | 98.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.3 | 178.5 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | T72 I73 V91 V101 V123 V138 A140 S142 V143 | T72-V125 CarbonylContact C-O 3.55Å; T72-V125 WeakPolarHBondContact CA-O 3.49Å; I73-V125 HydrophobicContact CD1-CB 4.41Å; I73-V125 HydrophobicContact CG1-CB 3.71Å; I73-V125 HydrophobicContact CG1-CG1 4.33Å; I73-V125 HydrophobicContact CG1-CG2 4.21Å; I73-V125 PolarHBondContact N-O 2.91Å; I73-V125 PolarHBondContact O-N 3.33Å; V91-V125 HydrophobicContact CG2-CG2 4.23Å; V101-V125 HydrophobicContact CG1-CG1 3.63Å; V101-V125 HydrophobicContact CG1-CG2 4.33Å; V101-V125 HydrophobicContact CG2-CG1 4.42Å; V123-V125 HydrophobicContact CG2-CG2 3.89Å; V125-V138 HydrophobicContact CG1-CG1 4.08Å; V125-A140 HydrophobicContact CG1-CB 3.86Å; V125-S142 WeakPolarHBondContact CA-O 3.21Å; V125-V143 HydrophobicContact CG1-CG2 4.44Å; V125-V143 HydrophobicContact CG2-CG1 4.25Å; V125-V143 HydrophobicContact CG2-CG2 4.41Å |
| 126 | S | 98.3 | Very high | 95.4 | Very high | 21 Ų | 21 | 57.2 Ų | 57.2 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.2 | 169.1 | -53.9 | 0 | 0 | 0 | 0 | 109.2 | V71 T72 A140 F141 S142 | V71-S126 WeakPolarHBondContact O-CA 3.46Å; T72-S126 WeakPolarHBondContact CG2-OG 3.22Å; S126-A140 WeakPolarHBondContact O-CA 3.35Å; S126-F141 VanDerWaalsContact CB-CE2 3.49Å; S126-F141 PolarHBondContact O-N 2.89Å; S126-S142 PolarHBondContact N-O 2.71Å; S126-S142 PolarHBondContact O-N 3.36Å; S126-S142 VanDerWaalsContact O-N 3.15Å |
| 127 | G | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | -178.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q70 V71 V139 | Q70-G127 CarbonylContact C-O 3.51Å; Q70-G127 WeakPolarHBondContact CA-O 3.44Å; V71-G127 PolarHBondContact N-O 2.91Å; V71-G127 PolarHBondContact O-N 3.45Å; G127-V139 CarbonylContact C-O 3.56Å; G127-V139 WeakPolarHBondContact CA-O 3.44Å |
| 128 | N | 96.6 | Very high | 95.8 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.3 | 176.4 | -67.2 | -89.6 | 0 | 0 | 0 | 109.9 | T69 Q70 V138 V139 | T69-N128 WeakPolarHBondContact O-CA 3.24Å; Q70-N128 WeakPolarHBondContact CG-OD1 3.46Å; N128-V138 WeakPolarHBondContact O-CA 3.49Å; N128-V139 PolarHBondContact N-O 3.41Å; N128-V139 PolarHBondContact O-N 3.28Å |
| 129 | L | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 134.5 | 170.1 | -175.9 | 63.9 | 0 | 0 | 0 | 109.6 | L51 F61 V68 T69 | L51-L129 HydrophobicContact CB-CD1 4.25Å; L51-L129 HydrophobicContact CD2-CD2 4.16Å; F61-L129 HydrophobicContact CB-CD2 3.77Å; F61-L129 HydrophobicContact CD1-CD2 3.77Å; F61-L129 HydrophobicContact CD1-CG 4.43Å; F61-L129 HydrophobicContact CD2-CB 4.35Å; F61-L129 HydrophobicContact CD2-CD2 3.73Å; F61-L129 HydrophobicContact CD2-CG 4.01Å; F61-L129 HydrophobicContact CE1-CD2 4.27Å; F61-L129 HydrophobicContact CE1-CG 4.47Å; F61-L129 HydrophobicContact CE2-CB 4.5Å; F61-L129 HydrophobicContact CE2-CD2 4.24Å; F61-L129 HydrophobicContact CE2-CG 4.07Å; F61-L129 HydrophobicContact CG-CD2 3.47Å; F61-L129 VanDerWaalsContact CG-CD2 3.47Å; F61-L129 HydrophobicContact CG-CG 4.2Å; F61-L129 HydrophobicContact CZ-CD2 4.49Å; F61-L129 HydrophobicContact CZ-CG 4.31Å; V68-L129 HydrophobicContact CG2-CD2 4.18Å; T69-L129 PolarHBondContact O-N 2.92Å |
| 130 | R | 95.2 | Very high | 95.7 | Very high | 123 Ų | 123 | 50.1 Ų | 50.1 | 46% | 0.464 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 153.5 | 176.8 | -66.2 | -65.6 | -178.5 | -113.6 | 7 | 109.9 | R136 S137 V139 | R130-R136 VanDerWaalsContact O-CA 3.31Å; R130-R136 WeakPolarHBondContact O-CA 3.46Å; R130-S137 PolarHBondContact N-O 2.98Å; R130-S137 PolarHBondContact O-N 2.83Å; R130-V139 HydrophobicContact CB-CG2 4.49Å; R130-V139 HydrophobicContact CG-CG2 3.77Å |
| 131 | S | 93.4 | Very high | 95.5 | Very high | 33 Ų | 33 | 53 Ų | 53 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.4 | 172.7 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | Q56 F61 H135 | Q56-S131 VanDerWaalsContact OE1-CB 3.28Å; Q56-S131 PolarHBondContact OE1-OG 3.14Å; Q56-S131 VanDerWaalsContact OE1-OG 3.07Å; F61-S131 VanDerWaalsContact CZ-CB 3.5Å; S131-H135 WeakPolarHBondContact CA-O 3.43Å |
| 132 | F | 89.3 | Confident | 95.3 | Very high | 147 Ų | 147 | 53.5 Ų | 53.5 | 65% | 0.645 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 124.3 | 174.3 | -179.6 | -102.2 | 0 | 0 | 0 | 108.4 | N134 H135 | F132-N134 PolarHBondContact O-N 3.44Å; F132-H135 PolarHBondContact N-O 3.22Å; F132-H135 WeakPolarHBondContact O-CA 3.41Å; F132-H135 VanDerWaalsContact O-CB 3.31Å; F132-H135 WeakPolarHBondContact O-CB 3.33Å; F132-H135 PolarHBondContact O-N 3.47Å |
| 133 | Q | 89.1 | Confident | 95.2 | Very high | 170 Ų | 170 | 50.7 Ų | 50.7 | 79% | 0.794 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 41.7 | -176.4 | -62.3 | 179.7 | -10.9 | 0 | 0 | 113 | H135 | Q133-H135 PolarHBondContact O-N 3.33Š|
| 134 | N | 84.1 | Confident | 95.1 | Very high | 140 Ų | 140 | 55.1 Ų | 55.1 | 75% | 0.749 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 11.8 | -176.8 | -157 | 41.6 | 0 | 0 | 0 | 115.2 | F132 | F132-N134 PolarHBondContact O-N 3.44Š|
| 135 | H | 91.9 | Very high | 95.1 | Very high | 96 Ų | 96 | 56.1 Ų | 56.1 | 44% | 0.444 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 120.8 | 170.7 | 179.4 | 67.5 | 0 | 0 | 0 | 110.1 | D100 S131 F132 Q133 | D100-H135 IonicContact OD2-CE1 3.17Å; D100-H135 PolarHBondContact OD2-CE1 2.99Å; D100-H135 IonicContact OD2-NE2 3.53Å; D100-H135 PolarHBondContact OD2-NE2 3.01Å; S131-H135 WeakPolarHBondContact CA-O 3.43Å; F132-H135 PolarHBondContact N-O 3.22Å; F132-H135 WeakPolarHBondContact O-CA 3.41Å; F132-H135 VanDerWaalsContact O-CB 3.31Å; F132-H135 WeakPolarHBondContact O-CB 3.33Å; F132-H135 PolarHBondContact O-N 3.47Å; Q133-H135 PolarHBondContact O-N 3.33Å |
| 136 | R | 95.2 | Very high | 95.1 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 137.6 | -177.1 | -67.3 | 179.8 | -179.2 | -132.9 | -4.5 | 111.2 | L51 M52 A54 R130 | L51-R136 VanDerWaalsContact O-CD 3.3Å; L51-R136 WeakPolarHBondContact O-CD 3.47Å; L51-R136 PolarHBondContact O-NH1 2.9Å; M52-R136 HydrophobicContact SD-CB 3.98Å; A54-R136 PolarHBondContact O-NH1 3.48Å; A54-R136 PolarHBondContact O-NH2 2.91Å; R130-R136 VanDerWaalsContact O-CA 3.31Å; R130-R136 WeakPolarHBondContact O-CA 3.46Å |
| 137 | S | 97.8 | Very high | 95 | Very high | 25 Ų | 25 | 65.2 Ų | 65.2 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 162.2 | 178.9 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | D100 R130 | D100-S137 CarbonylContact O-C 3.52Å; D100-S137 WeakPolarHBondContact O-CA 3.24Å; D100-S137 VanDerWaalsContact O-CB 3.24Å; D100-S137 WeakPolarHBondContact O-CB 3.23Å; R130-S137 PolarHBondContact N-O 2.98Å; R130-S137 PolarHBondContact O-N 2.83Å |
| 138 | V | 98.6 | Very high | 95 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122.5 | 172.4 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | L51 V71 M99 D100 V101 K102 V125 N128 A140 | L51-V138 HydrophobicContact CD1-CG2 4.19Å; V71-V138 HydrophobicContact CG2-CG2 4.28Å; M99-V138 HydrophobicContact CG-CG2 4.08Å; M99-V138 HydrophobicContact SD-CG2 4.38Å; D100-V138 PolarHBondContact O-N 3.04Å; V101-V138 CarbonylContact C-O 3.57Å; V101-V138 VanDerWaalsContact CA-O 3.31Å; V101-V138 WeakPolarHBondContact CA-O 3.25Å; V101-V138 HydrophobicContact CG2-CB 4.31Å; K102-V138 PolarHBondContact N-O 3.49Å; V125-V138 HydrophobicContact CG1-CG1 4.08Å; N128-V138 WeakPolarHBondContact O-CA 3.49Å; V138-A140 PolarHBondContact O-N 2.91Å |
| 139 | V | 97.6 | Very high | 95.1 | Very high | 35 Ų | 35 | 71.9 Ų | 71.9 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 102.2 | 168.4 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | K102 G127 N128 R130 | K102-V139 CarbonylContact O-C 3.6Å; K102-V139 WeakPolarHBondContact O-CA 3.29Å; G127-V139 CarbonylContact C-O 3.56Å; G127-V139 WeakPolarHBondContact CA-O 3.44Å; N128-V139 PolarHBondContact N-O 3.41Å; N128-V139 PolarHBondContact O-N 3.28Å; R130-V139 HydrophobicContact CB-CG2 4.49Å; R130-V139 HydrophobicContact CG-CG2 3.77Å |
| 140 | A | 97.3 | Very high | 95.1 | Very high | 7 Ų | 7 | 77 Ų | 77 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V101 K102 V125 S126 V138 V143 | V101-A140 HydrophobicContact CG1-CB 3.77Å; K102-A140 PolarHBondContact O-N 2.64Å; V125-A140 HydrophobicContact CG1-CB 3.86Å; S126-A140 WeakPolarHBondContact O-CA 3.35Å; V138-A140 PolarHBondContact O-N 2.91Å; A140-V143 HydrophobicContact CB-CG2 3.61Å |
| 141 | F | 93.9 | Very high | 95.3 | Very high | 109 Ų | 109 | 73.1 Ų | 73.1 | 48% | 0.478 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -13.3 | 163.7 | 56.1 | -101 | 0 | 0 | 0 | 111.4 | I43 S126 | I43-F141 HydrophobicContact CD1-CZ 4.01Å; S126-F141 VanDerWaalsContact CB-CE2 3.49Å; S126-F141 PolarHBondContact O-N 2.89Å |
| 142 | S | 94.1 | Very high | 95.5 | Very high | 46 Ų | 46 | 73.5 Ų | 73.5 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 129.9 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | V125 S126 | V125-S142 WeakPolarHBondContact CA-O 3.21Å; S126-S142 PolarHBondContact N-O 2.71Å; S126-S142 PolarHBondContact O-N 3.36Å; S126-S142 VanDerWaalsContact O-N 3.15Å |
| 143 | V | 96.8 | Very high | 96 | Very high | 18 Ų | 18 | 70.4 Ų | 70.4 | 11% | 0.109 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 113.5 | 168.5 | -176.8 | 0 | 0 | 0 | 0 | 105.8 | Y89 V101 Q103 L117 V123 V125 A140 | Y89-V143 HydrophobicContact CD2-CG1 4.45Å; Y89-V143 HydrophobicContact CD2-CG2 4.45Å; Y89-V143 HydrophobicContact CE2-CB 4.47Å; Y89-V143 HydrophobicContact CE2-CG1 4.16Å; Y89-V143 HydrophobicContact CE2-CG2 4.25Å; V101-V143 HydrophobicContact CG1-CG2 4.4Å; Q103-V143 HydrophobicContact CB-CG2 4.37Å; L117-V143 HydrophobicContact CD1-CG1 3.89Å; V123-V143 HydrophobicContact CB-CG1 4.17Å; V123-V143 HydrophobicContact CG1-CG1 4.19Å; V123-V143 HydrophobicContact CG2-CG1 4.41Å; V125-V143 HydrophobicContact CG1-CG2 4.44Å; V125-V143 HydrophobicContact CG2-CG1 4.25Å; V125-V143 HydrophobicContact CG2-CG2 4.41Å; A140-V143 HydrophobicContact CB-CG2 3.61Å |
| 144 | R | 96.4 | Very high | 96.4 | Very high | 92 Ų | 92 | 64.9 Ų | 64.9 | 35% | 0.347 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.9 | 179.3 | 66.5 | 172.3 | 179.7 | 82.5 | -6.2 | 111.2 | V123 K124 E151 | V123-R144 CarbonylContact C-O 3.58Å; V123-R144 WeakPolarHBondContact CA-O 3.49Å; V123-R144 WeakPolarHBondContact CB-O 3.42Å; K124-R144 HydrophobicContact CB-CG 4.03Å; K124-R144 VanDerWaalsContact CD-NH2 3.27Å; K124-R144 PolarHBondContact N-O 3.37Å; K124-R144 PolarHBondContact O-N 3.24Å; R144-E151 IonicContact CZ-OE2 3.84Å; R144-E151 IonicContact NH1-OE1 2.75Å; R144-E151 PolarHBondContact NH1-OE1 2.86Å; R144-E151 IonicContact NH1-OE2 2.7Å; R144-E151 PolarHBondContact NH1-OE2 3.44Å; R144-E151 IonicContact NH2-OE2 2.97Å; R144-E151 PolarHBondContact NH2-OE2 2.88Å |
| 145 | P | 98.1 | Very high | 97.1 | Very high | 55 Ų | 55 | 58.6 Ų | 58.6 | 36% | 0.357 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 148.5 | 166.8 | 29.2 | -33.1 | 0 | 0 | 0 | 110 | L117 T121 Y122 | L117-P145 HydrophobicContact CD2-CB 4.42Å; L117-P145 HydrophobicContact CD2-CG 4.24Å; T121-P145 HydrophobicContact CG2-CB 3.91Å; Y122-P145 CarbonylContact O-C 3.54Å; Y122-P145 WeakPolarHBondContact O-CA 3.28Å |
| 146 | L | 98.1 | Very high | 97.4 | Very high | 23 Ų | 23 | 58.7 Ų | 58.7 | 12% | 0.12 | 31% | 0.308 | C | S | . | . | trans | -76.4 | 133.8 | 167.3 | -92 | 62.8 | 0 | 0 | 0 | 108.9 | V74 Y122 K124 E151 I152 | V74-L146 HydrophobicContact CG1-CD1 4.21Å; V74-L146 HydrophobicContact CG1-CD2 3.81Å; Y122-L146 PolarHBondContact O-N 2.99Å; K124-L146 HydrophobicContact CB-CD1 3.96Å; L146-E151 HydrophobicContact CD2-CB 3.75Å; L146-E151 HydrophobicContact CG-CB 3.97Å; L146-I152 HydrophobicContact CD2-CD1 4.37Å; L146-I152 HydrophobicContact CD2-CG1 3.57Å | ||
| 147 | E | 97 | Very high | 97.6 | Very high | 191 Ų | 191 | 63.3 Ų | 63.3 | 89% | 0.893 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -97.3 | -29.6 | 173.1 | -63.5 | -177.5 | 178 | 0 | 0 | 111 | ||
| 148 | D | 97.8 | Very high | 97.6 | Very high | 78 Ų | 78 | 65.3 Ų | 65.3 | 42% | 0.417 | 34% | 0.34 | S | S | . | . | trans | -120.8 | 129 | 172.8 | -176.2 | 1.2 | 0 | 0 | 0 | 110.4 | N150 E151 | D148-N150 PolarHBondContact O-N 3.2Å; D148-N150 WeakPolarHBondContact OD1-CB 3.45Å; D148-N150 PolarHBondContact OD1-N 2.9Å; D148-N150 PolarHBondContact OD1-ND2 2.87Å; D148-N150 WeakPolarHBondContact OD2-CB 3.32Å; D148-N150 PolarHBondContact OD2-ND2 2.99Å; D148-E151 HydrophobicContact CB-CG 4.44Å; D148-E151 VanDerWaalsContact O-CB 3.3Å; D148-E151 WeakPolarHBondContact O-CB 3.44Å; D148-E151 VanDerWaalsContact O-CG 3.26Å; D148-E151 WeakPolarHBondContact O-CG 3.39Å; D148-E151 PolarHBondContact O-N 2.93Å | ||
| 149 | M | 97.7 | Very high | 97.6 | Very high | 99 Ų | 99 | 65.6 Ų | 65.6 | 49% | 0.488 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -16.3 | 178.1 | -64.5 | -61.4 | -75.5 | 0 | 0 | 112.9 | Y122 E151 I152 | Y122-M149 HydrophobicContact CD2-CE 3.59Å; Y122-M149 HydrophobicContact CD2-SD 4.22Å; Y122-M149 HydrophobicContact CE2-CE 3.71Å; Y122-M149 HydrophobicContact CG-CE 4.03Å; Y122-M149 HydrophobicContact CG-SD 4.38Å; M149-E151 PolarHBondContact O-N 2.87Å; M149-I152 HydrophobicContact CE-CD1 3.32Å; M149-I152 WeakPolarHBondContact O-CB 3.16Å; M149-I152 PolarHBondContact O-N 3.07Å; M149-I152 VanDerWaalsContact O-N 3.09Å; M149-I152 HydrophobicContact SD-CD1 4.11Å |
| 150 | N | 98.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 67.7 Ų | 67.7 | 57% | 0.572 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -60.5 | -22.6 | 171.1 | -65.5 | -49.2 | 0 | 0 | 0 | 112.4 | D148 I152 T153 S154 | D148-N150 PolarHBondContact O-N 3.2Å; D148-N150 WeakPolarHBondContact OD1-CB 3.45Å; D148-N150 PolarHBondContact OD1-N 2.9Å; D148-N150 PolarHBondContact OD1-ND2 2.87Å; D148-N150 WeakPolarHBondContact OD2-CB 3.32Å; D148-N150 PolarHBondContact OD2-ND2 2.99Å; N150-I152 PolarHBondContact O-N 3.17Å; N150-T153 PolarHBondContact O-N 2.74Å; N150-T153 VanDerWaalsContact O-N 3.14Å; N150-S154 PolarHBondContact O-N 2.78Å |
| 151 | E | 98.4 | Very high | 97.5 | Very high | 43 Ų | 43 | 73.3 Ų | 73.3 | 20% | 0.201 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.2 | -27.3 | 174.9 | -64.6 | -170.6 | -115.9 | 0 | 0 | 112.9 | R144 L146 D148 M149 H155 | R144-E151 IonicContact CZ-OE2 3.84Å; R144-E151 IonicContact NH1-OE1 2.75Å; R144-E151 PolarHBondContact NH1-OE1 2.86Å; R144-E151 IonicContact NH1-OE2 2.7Å; R144-E151 PolarHBondContact NH1-OE2 3.44Å; R144-E151 IonicContact NH2-OE2 2.97Å; R144-E151 PolarHBondContact NH2-OE2 2.88Å; L146-E151 HydrophobicContact CD2-CB 3.75Å; L146-E151 HydrophobicContact CG-CB 3.97Å; D148-E151 HydrophobicContact CB-CG 4.44Å; D148-E151 VanDerWaalsContact O-CB 3.3Å; D148-E151 WeakPolarHBondContact O-CB 3.44Å; D148-E151 VanDerWaalsContact O-CG 3.26Å; D148-E151 WeakPolarHBondContact O-CG 3.39Å; D148-E151 PolarHBondContact O-N 2.93Å; M149-E151 PolarHBondContact O-N 2.87Å; E151-H155 VanDerWaalsContact O-CB 3.25Å; E151-H155 WeakPolarHBondContact O-CB 3.36Å; E151-H155 PolarHBondContact O-N 3.13Å |
| 152 | I | 98.5 | Very high | 97.6 | Very high | 40 Ų | 40 | 68.9 Ų | 68.9 | 21% | 0.205 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.2 | -50.7 | 173.7 | -58.6 | 178 | 0 | 0 | 0 | 109.5 | V74 Y122 L146 M149 N150 H155 I156 | V74-I152 HydrophobicContact CG1-CG1 3.99Å; Y122-I152 HydrophobicContact CD1-CD1 3.58Å; Y122-I152 HydrophobicContact CD1-CG1 4.31Å; Y122-I152 HydrophobicContact CE1-CD1 3.57Å; Y122-I152 HydrophobicContact CG-CD1 4.11Å; L146-I152 HydrophobicContact CD2-CD1 4.37Å; L146-I152 HydrophobicContact CD2-CG1 3.57Å; M149-I152 HydrophobicContact CE-CD1 3.32Å; M149-I152 WeakPolarHBondContact O-CB 3.16Å; M149-I152 PolarHBondContact O-N 3.07Å; M149-I152 VanDerWaalsContact O-N 3.09Å; M149-I152 HydrophobicContact SD-CD1 4.11Å; N150-I152 PolarHBondContact O-N 3.17Å; I152-H155 PolarHBondContact O-N 3.13Å; I152-I156 HydrophobicContact CG2-CD1 4.11Å; I152-I156 VanDerWaalsContact O-CG1 3.32Å; I152-I156 WeakPolarHBondContact O-CG1 3.46Å; I152-I156 PolarHBondContact O-N 3.21Å |
| 153 | T | 98.4 | Very high | 97.6 | Very high | 83 Ų | 83 | 67.9 Ų | 67.9 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 178.7 | -53.3 | 0 | 0 | 0 | 0 | 111 | N150 H155 I156 L157 | N150-T153 PolarHBondContact O-N 2.74Å; N150-T153 VanDerWaalsContact O-N 3.14Å; T153-H155 VanDerWaalsContact C-N 3.34Å; T153-H155 PolarHBondContact O-N 2.87Å; T153-I156 PolarHBondContact O-N 3.22Å; T153-L157 WeakPolarHBondContact O-CG 3.43Å; T153-L157 PolarHBondContact O-N 3.48Å; T153-L157 VanDerWaalsContact O-N 3.1Å |
| 154 | S | 98.4 | Very high | 97.5 | Very high | 53 Ų | 53 | 72.4 Ų | 72.4 | 37% | 0.371 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.7 | -47.5 | 175.1 | -167.8 | 0 | 0 | 0 | 0 | 111.2 | N150 I156 L157 E158 | N150-S154 PolarHBondContact O-N 2.78Å; S154-I156 VanDerWaalsContact C-N 3.35Å; S154-I156 PolarHBondContact O-N 3.18Å; S154-L157 PolarHBondContact O-N 3.24Å; S154-L157 VanDerWaalsContact O-N 3.13Å; S154-E158 WeakPolarHBondContact O-CB 3.37Å; S154-E158 VanDerWaalsContact O-CG 3.29Å; S154-E158 WeakPolarHBondContact O-CG 3.33Å; S154-E158 PolarHBondContact O-N 3.35Å; S154-E158 PolarHBondContact OG-OE1 3.14Å |
| 155 | H | 98.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 70.6 Ų | 70.6 | 4% | 0.037 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 179.3 | -172.1 | 78 | 0 | 0 | 0 | 112 | C46 T72 V74 E151 I152 T153 L157 E158 V159 | C46-H155 PolarHBondContact O-NE2 3.26Å; C46-H155 VanDerWaalsContact O-NE2 3.1Å; T72-H155 PolarHBondContact O-CE1 2.61Å; T72-H155 PolarHBondContact OG1-CE1 3.09Å; V74-H155 HydrophobicContact CB-CB 3.97Å; V74-H155 HydrophobicContact CG2-CB 3.65Å; E151-H155 VanDerWaalsContact O-CB 3.25Å; E151-H155 WeakPolarHBondContact O-CB 3.36Å; E151-H155 PolarHBondContact O-N 3.13Å; I152-H155 PolarHBondContact O-N 3.13Å; T153-H155 VanDerWaalsContact C-N 3.34Å; T153-H155 PolarHBondContact O-N 2.87Å; H155-L157 VanDerWaalsContact C-N 3.31Å; H155-L157 PolarHBondContact O-N 2.89Å; H155-E158 WeakPolarHBondContact O-CB 3.45Å; H155-E158 PolarHBondContact O-N 2.8Å; H155-V159 VanDerWaalsContact O-CG2 3.24Å; H155-V159 WeakPolarHBondContact O-CG2 3.31Å; H155-V159 PolarHBondContact O-N 3.47Å |
| 156 | I | 98.6 | Very high | 96.9 | Very high | 99 Ų | 99 | 71.3 Ų | 71.3 | 51% | 0.508 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 175.2 | -67.5 | 164.2 | 0 | 0 | 0 | 110.9 | I152 T153 S154 V160 | I152-I156 HydrophobicContact CG2-CD1 4.11Å; I152-I156 VanDerWaalsContact O-CG1 3.32Å; I152-I156 WeakPolarHBondContact O-CG1 3.46Å; I152-I156 PolarHBondContact O-N 3.21Å; T153-I156 PolarHBondContact O-N 3.22Å; S154-I156 VanDerWaalsContact C-N 3.35Å; S154-I156 PolarHBondContact O-N 3.18Å; I156-V160 WeakPolarHBondContact O-CG2 3.38Å; I156-V160 PolarHBondContact O-N 3.12Å |
| 157 | L | 98.5 | Very high | 96.1 | Very high | 117 Ų | 117 | 71.3 Ų | 71.3 | 61% | 0.613 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.4 | -40.4 | 177.5 | -64.2 | 174.2 | 0 | 0 | 0 | 112.1 | T153 S154 H155 V160 H161 | T153-L157 WeakPolarHBondContact O-CG 3.43Å; T153-L157 PolarHBondContact O-N 3.48Å; T153-L157 VanDerWaalsContact O-N 3.1Å; S154-L157 PolarHBondContact O-N 3.24Å; S154-L157 VanDerWaalsContact O-N 3.13Å; H155-L157 VanDerWaalsContact C-N 3.31Å; H155-L157 PolarHBondContact O-N 2.89Å; L157-V160 PolarHBondContact O-N 3.24Å; L157-H161 VanDerWaalsContact O-CB 3.28Å; L157-H161 WeakPolarHBondContact O-CB 3.43Å; L157-H161 PolarHBondContact O-N 2.99Å |
| 158 | E | 97.7 | Very high | 95.1 | Very high | 68 Ų | 68 | 69.4 Ų | 69.4 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 175.6 | -76.5 | 164.5 | -148.2 | 0 | 0 | 111.2 | P45 K124 S154 H155 H161 A162 | P45-E158 HydrophobicContact CB-CB 4.13Å; P45-E158 HydrophobicContact CG-CB 4.02Å; K124-E158 IonicContact NZ-OE2 3.14Å; K124-E158 PolarHBondContact NZ-OE2 2.84Å; S154-E158 WeakPolarHBondContact O-CB 3.37Å; S154-E158 VanDerWaalsContact O-CG 3.29Å; S154-E158 WeakPolarHBondContact O-CG 3.33Å; S154-E158 PolarHBondContact O-N 3.35Å; S154-E158 PolarHBondContact OG-OE1 3.14Å; H155-E158 WeakPolarHBondContact O-CB 3.45Å; H155-E158 PolarHBondContact O-N 2.8Å; E158-H161 PolarHBondContact O-N 3.39Å; E158-A162 VanDerWaalsContact O-CB 3.22Å; E158-A162 WeakPolarHBondContact O-CB 3.46Å; E158-A162 PolarHBondContact O-N 3.48Å |
| 159 | V | 98.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.1 | -53.3 | 177.2 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | P45 T47 Q50 H155 H161 A162 H163 | P45-V159 HydrophobicContact CB-CG2 3.98Å; T47-V159 HydrophobicContact CG2-CG1 4.22Å; Q50-V159 VanDerWaalsContact OE1-CG1 3.28Å; H155-V159 VanDerWaalsContact O-CG2 3.24Å; H155-V159 WeakPolarHBondContact O-CG2 3.31Å; H155-V159 PolarHBondContact O-N 3.47Å; V159-H161 VanDerWaalsContact C-N 3.35Å; V159-H161 PolarHBondContact O-N 3.28Å; V159-A162 PolarHBondContact O-N 2.89Å; V159-H163 PolarHBondContact O-CD2 3.43Å; V159-H163 VanDerWaalsContact O-CD2 3.28Å; V159-H163 PolarHBondContact O-N 3.27Å; V159-H163 VanDerWaalsContact O-N 3.1Å |
| 160 | V | 97.3 | Very high | 91.1 | Very high | 79 Ų | 79 | 74.8 Ų | 74.8 | 48% | 0.479 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.3 | -47.3 | -178.1 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | I156 L157 M164 | I156-V160 WeakPolarHBondContact O-CG2 3.38Å; I156-V160 PolarHBondContact O-N 3.12Å; L157-V160 PolarHBondContact O-N 3.24Å; V160-M164 HydrophobicContact CG1-CE 4.24Å; V160-M164 HydrophobicContact CG1-CG 4.42Å; V160-M164 HydrophobicContact CG1-SD 4.22Å; V160-M164 WeakPolarHBondContact O-CB 3.19Å; V160-M164 VanDerWaalsContact O-CG 3.27Å; V160-M164 WeakPolarHBondContact O-CG 3.4Å; V160-M164 PolarHBondContact O-N 2.84Å |
| 161 | H | 96.3 | Very high | 88.6 | Confident | 125 Ų | 125 | 75.7 Ų | 75.7 | 58% | 0.579 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.2 | -49.5 | -179.2 | -177.6 | 73.4 | 0 | 0 | 0 | 112.2 | L157 E158 V159 H163 M164 A165 | L157-H161 VanDerWaalsContact O-CB 3.28Å; L157-H161 WeakPolarHBondContact O-CB 3.43Å; L157-H161 PolarHBondContact O-N 2.99Å; E158-H161 PolarHBondContact O-N 3.39Å; V159-H161 VanDerWaalsContact C-N 3.35Å; V159-H161 PolarHBondContact O-N 3.28Å; H161-H163 PolarHBondContact O-N 3.38Å; H161-M164 PolarHBondContact O-N 2.98Å; H161-A165 WeakPolarHBondContact O-CB 3.26Å; H161-A165 PolarHBondContact O-N 3.47Å |
| 162 | A | 95.4 | Very high | 86.1 | Confident | 16 Ų | 16 | 79.3 Ų | 79.3 | 13% | 0.132 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60.8 | -48 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P45 E158 V159 M164 A165 L166 | P45-A162 HydrophobicContact CG-CB 3.64Å; E158-A162 VanDerWaalsContact O-CB 3.22Å; E158-A162 WeakPolarHBondContact O-CB 3.46Å; E158-A162 PolarHBondContact O-N 3.48Å; V159-A162 PolarHBondContact O-N 2.89Å; A162-M164 PolarHBondContact O-N 2.77Å; A162-A165 PolarHBondContact O-N 3.39Å; A162-L166 VanDerWaalsContact O-CB 3.31Å; A162-L166 WeakPolarHBondContact O-CB 3.37Å; A162-L166 VanDerWaalsContact O-CG 3.28Å; A162-L166 WeakPolarHBondContact O-CG 3.31Å; A162-L166 PolarHBondContact O-N 2.91Å |
| 163 | H | 94.9 | Very high | 83.5 | Confident | 25 Ų | 25 | 83.6 Ų | 83.6 | 12% | 0.116 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -68 | -33.8 | 179.8 | -79.3 | -88.3 | 0 | 0 | 0 | 112.9 | P45 V159 H161 G167 | P45-H163 PolarHBondContact O-NE2 3.46Å; V159-H163 PolarHBondContact O-CD2 3.43Å; V159-H163 VanDerWaalsContact O-CD2 3.28Å; V159-H163 PolarHBondContact O-N 3.27Å; V159-H163 VanDerWaalsContact O-N 3.1Å; H161-H163 PolarHBondContact O-N 3.38Å; H163-G167 WeakPolarHBondContact O-CA 3.41Å; H163-G167 PolarHBondContact O-N 3.25Å |
| 164 | M | 93.8 | Very high | 80.9 | Confident | 112 Ų | 112 | 82.7 Ų | 82.7 | 55% | 0.552 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.2 | -38.3 | 172.2 | -74.2 | -166.2 | -42.8 | 0 | 0 | 113.1 | V160 H161 A162 K168 | V160-M164 HydrophobicContact CG1-CE 4.24Å; V160-M164 HydrophobicContact CG1-CG 4.42Å; V160-M164 HydrophobicContact CG1-SD 4.22Å; V160-M164 WeakPolarHBondContact O-CB 3.19Å; V160-M164 VanDerWaalsContact O-CG 3.27Å; V160-M164 WeakPolarHBondContact O-CG 3.4Å; V160-M164 PolarHBondContact O-N 2.84Å; H161-M164 PolarHBondContact O-N 2.98Å; A162-M164 PolarHBondContact O-N 2.77Å; M164-K168 WeakPolarHBondContact O-CG 3.2Å |
| 165 | A | 91.8 | Very high | 78.5 | Confident | 54 Ų | 54 | 88.9 Ų | 88.9 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.9 | -42.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H161 A162 | H161-A165 WeakPolarHBondContact O-CB 3.26Å; H161-A165 PolarHBondContact O-N 3.47Å; A162-A165 PolarHBondContact O-N 3.39Å |
| 166 | L | 90.6 | Very high | 75.6 | Confident | 70 Ų | 70 | 91.8 Ų | 91.8 | 37% | 0.366 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -84.5 | -25.6 | -177.4 | -62.9 | 171.7 | 0 | 0 | 0 | 113.3 | I44 V66 A162 K168 | I44-L166 HydrophobicContact CD1-CD1 3.51Å; V66-L166 HydrophobicContact CG1-CB 4.04Å; V66-L166 HydrophobicContact CG1-CD1 4.01Å; V66-L166 HydrophobicContact CG2-CB 3.8Å; A162-L166 VanDerWaalsContact O-CB 3.31Å; A162-L166 WeakPolarHBondContact O-CB 3.37Å; A162-L166 VanDerWaalsContact O-CG 3.28Å; A162-L166 WeakPolarHBondContact O-CG 3.31Å; A162-L166 PolarHBondContact O-N 2.91Å; L166-K168 VanDerWaalsContact C-N 3.31Å |
| 167 | G | 82.1 | Confident | 72.9 | Confident | 24 Ų | 24 | 91.4 Ų | 91.4 | 25% | 0.247 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -79.4 | -9.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | H163 | H163-G167 WeakPolarHBondContact O-CA 3.41Å; H163-G167 PolarHBondContact O-N 3.25Å |
| 168 | K | 75.2 | Confident | 69.8 | Low | 150 Ų | 150 | 89.3 Ų | 89.3 | 65% | 0.652 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -70.1 | 128.3 | 170.6 | -74.8 | 171 | -173.7 | 179.8 | 0 | 108.3 | M164 L166 Q170 | M164-K168 WeakPolarHBondContact O-CG 3.2Å; L166-K168 VanDerWaalsContact C-N 3.31Å; K168-Q170 PolarHBondContact O-N 3.1Å |
| 169 | P | 59.8 | Low | 67.3 | Low | 112 Ų | 112 | 94.8 Ų | 94.8 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | trans | -55.8 | 121.1 | 169.8 | 21.1 | -28.4 | 0 | 0 | 0 | 106.8 | T171 | P169-T171 VanDerWaalsContact C-N 3.27Å; P169-T171 PolarHBondContact O-N 2.86Å | ||
| 170 | Q | 52.7 | Low | 64.4 | Low | 179 Ų | 179 | 99 Ų | 99 | 84% | 0.836 | 63% | 0.627 | S | S | * | * | trans | -57.5 | 103.2 | 168.8 | -78.6 | -162.2 | -34.2 | 0 | 0 | 105.8 | K168 V172 | K168-Q170 PolarHBondContact O-N 3.1Å; Q170-V172 PolarHBondContact O-N 2.84Å | ||
| 171 | T | 45.7 | Very low | 61.9 | Low | 126 Ų | 126 | 101.4 Ų | 101.4 | 77% | 0.773 | 64% | 0.641 | S | S | * | * | trans | -63.3 | 90.7 | 164 | 51.1 | 0 | 0 | 0 | 0 | 104.6 | P169 P173 | P169-T171 VanDerWaalsContact C-N 3.27Å; P169-T171 PolarHBondContact O-N 2.86Å; T171-P173 VanDerWaalsContact O-CD 3.27Å; T171-P173 WeakPolarHBondContact O-CD 3.13Å; T171-P173 VanDerWaalsContact O-N 3.16Å | ||
| 172 | V | 45.1 | Very low | 59 | Low | 118 Ų | 118 | 102.6 Ų | 102.6 | 72% | 0.715 | 65% | 0.652 | S | S | * | * | trans | -48.7 | 121.5 | 161.6 | -89 | 0 | 0 | 0 | 0 | 105.9 | Q170 G174 | Q170-V172 PolarHBondContact O-N 2.84Å; V172-G174 PolarHBondContact O-N 2.87Å | ||
| 173 | P | 43.4 | Very low | 56.1 | Low | 130 Ų | 130 | 106.6 Ų | 106.6 | 84% | 0.844 | 68% | 0.679 | S | S | * | * | trans | -63.9 | 90.6 | 167.8 | -15.2 | 29.7 | 0 | 0 | 0 | 106.5 | T171 I175 | T171-P173 VanDerWaalsContact O-CD 3.27Å; T171-P173 WeakPolarHBondContact O-CD 3.13Å; T171-P173 VanDerWaalsContact O-N 3.16Å; P173-I175 PolarHBondContact O-N 2.99Å; P173-I175 VanDerWaalsContact O-N 3.16Å | ||
| 174 | G | 44.6 | Very low | 53.6 | Low | 65 Ų | 65 | 113.6 Ų | 113.6 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | trans | -68.5 | 110.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V172 G176 | V172-G174 PolarHBondContact O-N 2.87Å; G174-G176 PolarHBondContact O-N 3.08Å | ||
| 175 | I | 47.4 | Very low | 51 | Low | 183 Ų | 183 | 114 Ų | 114 | 94% | 0.938 | 73% | 0.725 | S | S | * | * | trans | -59.7 | 110.9 | 155.5 | -64.3 | 168.8 | 0 | 0 | 0 | 106.3 | P173 | P173-I175 PolarHBondContact O-N 2.99Å; P173-I175 VanDerWaalsContact O-N 3.16Å | ||
| 176 | G | 37.7 | Very low | 48.4 | Very low | 69 Ų | 69 | 119.9 Ų | 119.9 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | 169.1 | 90.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G174 | G174-G176 PolarHBondContact O-N 3.08Š| ||
| 177 | G | 43 | Very low | 46 | Very low | 91 Ų | 91 | 124 Ų | 124 | 94% | 0.938 | 77% | 0.767 | S | S | * | * | trans | -57.8 | 143.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 178 | G | 33.5 | Very low | 44.3 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -179.1 | 100.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | A180 | G178-A180 PolarHBondContact O-N 2.81Š| ||
| 179 | M | 44.8 | Very low | 42.4 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -48.3 | 123.3 | 174.5 | -68 | -87.9 | -87.7 | 0 | 0 | 111.4 | ||||
| 180 | A | 37.9 | Very low | 41.4 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -137.3 | 86.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | G178 N182 | G178-A180 PolarHBondContact O-N 2.81Å; A180-N182 PolarHBondContact O-N 2.87Å | ||
| 181 | V | 43.3 | Very low | 41 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -61.2 | 115.7 | 156.3 | -121.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 182 | N | 35.8 | Very low | 40.4 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | -172.5 | 131.9 | 127.8 | -115.9 | -8.3 | 0 | 0 | 0 | 115 | A180 | A180-N182 PolarHBondContact O-N 2.87Š| |||
| 183 | S | 34.8 | Very low | 39.8 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | 61.4 | 94.7 | 144.5 | 62 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 184 | M | 42.5 | Very low | 39.3 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 140.7 | 143.7 | -69.6 | -78.3 | 179.9 | 0 | 0 | 111.4 | ||
| 185 | P | 39.8 | Very low | 39 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 117 | 148.8 | 4.8 | 14.9 | 0 | 0 | 0 | 108.9 | L187 | P185-L187 PolarHBondContact O-N 3.03Š|
| 186 | M | 37.5 | Very low | 38.2 | Very low | 177 Ų | 177 | 124.4 Ų | 124.4 | 87% | 0.872 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 127.4 | 168.3 | -73.8 | -78.5 | -177.2 | 0 | 0 | 110.5 | ||
| 187 | L | 39.3 | Very low | 38.3 | Very low | 158 Ų | 158 | 126.1 Ų | 126.1 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 139.7 | 160.1 | -81.1 | 105.9 | 0 | 0 | 0 | 109.6 | P185 Q189 | P185-L187 PolarHBondContact O-N 3.03Å; L187-Q189 PolarHBondContact O-N 2.95Å |
| 188 | P | 45.6 | Very low | 37.9 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 124.1 | 170.8 | -14.7 | 29.1 | 0 | 0 | 0 | 110.9 | G190 | P188-G190 PolarHBondContact O-N 2.8Š|
| 189 | Q | 35.5 | Very low | 38.1 | Very low | 198 Ų | 198 | 135.5 Ų | 135.5 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 120.7 | 167 | -82 | 175 | -1.8 | 0 | 0 | 110.4 | L187 | L187-Q189 PolarHBondContact O-N 2.95Š|
| 190 | G | 38.6 | Very low | 37.4 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 141.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P188 | P188-G190 PolarHBondContact O-N 2.8Š|
| 191 | P | 44.9 | Very low | 37.1 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 132.9 | -179.7 | 33.5 | -28.9 | 0 | 0 | 0 | 110.7 | ||
| 192 | G | 33.5 | Very low | 36.9 | Very low | 64 Ų | 64 | 133 Ų | 133 | 66% | 0.66 | 80% | 0.801 | S | S | * | * | trans | 141.5 | 124.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 193 | M | 31.8 | Very low | 36.8 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | 81.5 | 96.9 | 147.1 | -76.5 | 70.1 | 148.1 | 0 | 0 | 120.6 | ||||
| 194 | N | 33.3 | Very low | 37 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | 87.8 | 136.2 | 109.9 | -142.9 | 36.6 | 0 | 0 | 0 | 120.5 | |||||
| 195 | A | 37.4 | Very low | 37 | Very low | 91 Ų | 91 | 134.5 Ų | 134.5 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -64.3 | 154.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 196 | G | 31.6 | Very low | 37.2 | Very low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | -178.7 | 70.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 197 | S | 40.6 | Very low | 37.4 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -80.2 | 113.3 | 162.9 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 198 | Y | 33.7 | Very low | 37.7 | Very low | 221 Ų | 221 | 129.3 Ų | 129.3 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -145.8 | 127.9 | 161.2 | -58.5 | -77.8 | 0 | 0 | 0 | 110.7 | ||||
| 199 | T | 37.4 | Very low | 37.8 | Very low | 140 Ų | 140 | 127.9 Ų | 127.9 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | -81.3 | 154.8 | -176.4 | 46.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 200 | G | 30 | Very low | 39.1 | Very low | 69 Ų | 69 | 125.3 Ų | 125.3 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 125.9 | 136 | 149.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 201 | T | 32.3 | Very low | 40.7 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 82% | 0.816 | 75% | 0.746 | S | S | * | * | cis | -164.7 | 139.8 | 3 | 21.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 202 | N | 38.8 | Very low | 42.5 | Very low | 152 Ų | 152 | 118.6 Ų | 118.6 | 81% | 0.813 | 71% | 0.705 | S | S | * | * | trans | 34.9 | 104 | 151.4 | -59.9 | -7.5 | 0 | 0 | 0 | 119.2 | ||||
| 203 | E | 34.1 | Very low | 45.1 | Very low | 190 Ų | 190 | 116.9 Ų | 116.9 | 89% | 0.888 | 68% | 0.683 | S | S | * | * | -149.3 | 115.2 | 113.2 | -64 | -154.2 | 149.7 | 0 | 0 | 107.3 | P205 | E203-P205 VanDerWaalsContact O-CD 3.27Å; E203-P205 WeakPolarHBondContact O-CD 3.48Å | |||
| 204 | N | 39.1 | Very low | 47.7 | Very low | 162 Ų | 162 | 110 Ų | 110 | 87% | 0.866 | 65% | 0.654 | S | S | * | * | trans | -70.8 | 115 | -175 | -116.7 | -7.7 | 0 | 0 | 0 | 109.6 | L206 | N204-L206 PolarHBondContact O-N 2.83Å; N204-L206 VanDerWaalsContact O-N 3.14Å | ||
| 205 | P | 42.7 | Very low | 50.4 | Low | 103 Ų | 103 | 105.2 Ų | 105.2 | 67% | 0.669 | 63% | 0.629 | S | S | * | * | trans | -73.2 | 108.8 | 162.5 | 4.7 | 13.4 | 0 | 0 | 0 | 105.7 | E203 M207 | E203-P205 VanDerWaalsContact O-CD 3.27Å; E203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-M207 VanDerWaalsContact C-N 3.33Å; P205-M207 PolarHBondContact O-N 2.79Å | ||
| 206 | L | 42.8 | Very low | 53 | Low | 126 Ų | 126 | 102.3 Ų | 102.3 | 66% | 0.66 | 60% | 0.6 | S | S | * | * | trans | -51.8 | 99.8 | 170.1 | -91.8 | 150.3 | 0 | 0 | 0 | 108.4 | N204 V208 | N204-L206 PolarHBondContact O-N 2.83Å; N204-L206 VanDerWaalsContact O-N 3.14Å; L206-V208 VanDerWaalsContact C-N 3.25Å; L206-V208 PolarHBondContact O-N 3.44Å | ||
| 207 | M | 43.1 | Very low | 55.8 | Low | 134 Ų | 134 | 100.6 Ų | 100.6 | 66% | 0.66 | 58% | 0.576 | S | S | * | * | trans | -69.1 | 90.5 | 169.3 | -71.7 | -155.2 | 178.6 | 0 | 0 | 107.5 | P205 I209 | P205-M207 VanDerWaalsContact C-N 3.33Å; P205-M207 PolarHBondContact O-N 2.79Å; M207-I209 HydrophobicContact CB-CG1 4.4Å; M207-I209 PolarHBondContact O-N 2.85Å | ||
| 208 | V | 46 | Very low | 58.1 | Low | 85 Ų | 85 | 100 Ų | 100 | 52% | 0.515 | 56% | 0.562 | S | S | . | * | trans | -76 | 84.6 | 168.8 | -176.6 | 0 | 0 | 0 | 0 | 107 | L206 G211 L212 | L206-V208 VanDerWaalsContact C-N 3.25Å; L206-V208 PolarHBondContact O-N 3.44Å; V208-G211 VanDerWaalsContact CG1-CA 3.47Å; V208-L212 WeakPolarHBondContact CA-O 3.37Å | ||
| 209 | I | 47.6 | Very low | 60.9 | Low | 99 Ų | 99 | 89.6 Ų | 89.6 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | B | Isolated β-bridge | trans | -81.1 | 126.9 | 168.8 | -63.4 | 174.1 | 0 | 0 | 0 | 105.8 | M207 G211 L212 N217 | M207-I209 HydrophobicContact CB-CG1 4.4Å; M207-I209 PolarHBondContact O-N 2.85Å; I209-G211 PolarHBondContact O-N 3.48Å; I209-L212 PolarHBondContact O-N 3.15Å; I209-N217 PolarHBondContact O-ND2 3.11Å |
| 210 | N | 61.6 | Low | 63.6 | Low | 144 Ų | 144 | 83.5 Ų | 83.5 | 77% | 0.77 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 24.7 | 176.1 | -61.4 | 15.2 | 0 | 0 | 0 | 117.1 | L212 | N210-L212 PolarHBondContact O-N 3.02Š|
| 211 | G | 71.8 | Confident | 66.5 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 61% | 0.608 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 1.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V208 I209 | V208-G211 VanDerWaalsContact CG1-CA 3.47Å; I209-G211 PolarHBondContact O-N 3.48Å |
| 212 | L | 84.3 | Confident | 69.3 | Low | 7 Ų | 7 | 79.5 Ų | 79.5 | 4% | 0.037 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -104.4 | 143.4 | 174.1 | -62.3 | 178.4 | 0 | 0 | 0 | 109.9 | V208 I209 N210 Q216 N217 L220 F255 L256 | V208-L212 WeakPolarHBondContact CA-O 3.37Å; I209-L212 PolarHBondContact O-N 3.15Å; N210-L212 PolarHBondContact O-N 3.02Å; L212-Q216 HydrophobicContact CB-CB 3.96Å; L212-Q216 HydrophobicContact CD2-CB 4.33Å; L212-N217 PolarHBondContact O-ND2 2.78Å; L212-N217 VanDerWaalsContact O-ND2 3.09Å; L212-L220 HydrophobicContact CD1-CD2 3.5Å; L212-L220 VanDerWaalsContact CD1-CD2 3.5Å; L212-F255 HydrophobicContact CD2-CD1 4.29Å; L212-F255 HydrophobicContact CD2-CE1 3.59Å; L212-L256 HydrophobicContact CD1-CD2 3.9Å; L212-L256 HydrophobicContact CD2-CD2 3.92Å |
| 213 | S | 88.2 | Confident | 71.9 | Confident | 28 Ų | 28 | 72.4 Ų | 72.4 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | trans | -60.1 | 160.6 | 168.4 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | N215 Q216 N217 | S213-N215 PolarHBondContact O-N 3.37Å; S213-Q216 PolarHBondContact O-N 2.97Å; S213-Q216 VanDerWaalsContact O-N 3.12Å; S213-Q216 WeakPolarHBondContact OG-CB 3.3Å; S213-Q216 VanDerWaalsContact OG-CG 3.25Å; S213-Q216 WeakPolarHBondContact OG-CG 3.26Å; S213-Q216 PolarHBondContact OG-N 2.89Å; S213-Q216 PolarHBondContact OG-OE1 3.36Å; S213-N217 PolarHBondContact O-N 3.24Å; S213-N217 PolarHBondContact O-ND2 3.22Å | ||
| 214 | A | 84.7 | Confident | 74.6 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 31% | 0.314 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -54.3 | -41.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N217 Q218 | A214-N217 PolarHBondContact O-N 3.48Å; A214-Q218 WeakPolarHBondContact O-CB 3.44Å; A214-Q218 VanDerWaalsContact O-CG 3.28Å; A214-Q218 WeakPolarHBondContact O-CG 3.41Å; A214-Q218 PolarHBondContact O-N 3.03Å |
| 215 | N | 90.1 | Very high | 76.9 | Confident | 61 Ų | 61 | 62.2 Ų | 62.2 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 178.4 | -63.7 | -22.9 | 0 | 0 | 0 | 111.8 | S213 Q218 V219 I244 V248 | S213-N215 PolarHBondContact O-N 3.37Å; N215-Q218 PolarHBondContact O-N 2.94Å; N215-V219 WeakPolarHBondContact O-CG2 3.38Å; N215-V219 PolarHBondContact O-N 3.06Å; N215-I244 HydrophobicContact CB-CD1 4.47Å; N215-V248 HydrophobicContact CB-CG1 4.09Å; N215-V248 WeakPolarHBondContact ND2-CG1 3.36Å |
| 216 | Q | 92.4 | Very high | 79 | Confident | 30 Ų | 30 | 58 Ų | 58 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 176.2 | -74.5 | 159.9 | -25 | 0 | 0 | 111.5 | L212 S213 Q218 V219 L220 A252 F255 | L212-Q216 HydrophobicContact CB-CB 3.96Å; L212-Q216 HydrophobicContact CD2-CB 4.33Å; S213-Q216 PolarHBondContact O-N 2.97Å; S213-Q216 VanDerWaalsContact O-N 3.12Å; S213-Q216 WeakPolarHBondContact OG-CB 3.3Å; S213-Q216 VanDerWaalsContact OG-CG 3.25Å; S213-Q216 WeakPolarHBondContact OG-CG 3.26Å; S213-Q216 PolarHBondContact OG-N 2.89Å; S213-Q216 PolarHBondContact OG-OE1 3.36Å; Q216-Q218 PolarHBondContact O-N 2.98Å; Q216-V219 PolarHBondContact O-N 2.68Å; Q216-L220 WeakPolarHBondContact O-CB 3.33Å; Q216-L220 PolarHBondContact O-N 3Å; Q216-A252 HydrophobicContact CG-CB 3.89Å; Q216-F255 HydrophobicContact CG-CD1 4.24Å |
| 217 | N | 90.1 | Very high | 81 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 14% | 0.139 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 174.5 | -85.3 | -47.1 | 0 | 0 | 0 | 112.6 | I209 L212 S213 A214 L220 S221 | I209-N217 PolarHBondContact O-ND2 3.11Å; L212-N217 PolarHBondContact O-ND2 2.78Å; L212-N217 VanDerWaalsContact O-ND2 3.09Å; S213-N217 PolarHBondContact O-N 3.24Å; S213-N217 PolarHBondContact O-ND2 3.22Å; A214-N217 PolarHBondContact O-N 3.48Å; N217-L220 PolarHBondContact O-N 2.92Å; N217-S221 VanDerWaalsContact O-CB 3.29Å; N217-S221 WeakPolarHBondContact O-CB 3.34Å; N217-S221 PolarHBondContact O-N 3.23Å; N217-S221 PolarHBondContact O-OG 3.22Å |
| 218 | Q | 89.9 | Confident | 83.1 | Confident | 94 Ų | 94 | 55.5 Ų | 55.5 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.2 | -42.7 | 177.9 | -76.9 | 175 | -26.5 | 0 | 0 | 111.8 | A214 N215 Q216 L222 L241 I244 | A214-Q218 WeakPolarHBondContact O-CB 3.44Å; A214-Q218 VanDerWaalsContact O-CG 3.28Å; A214-Q218 WeakPolarHBondContact O-CG 3.41Å; A214-Q218 PolarHBondContact O-N 3.03Å; N215-Q218 PolarHBondContact O-N 2.94Å; Q216-Q218 PolarHBondContact O-N 2.98Å; Q218-L222 WeakPolarHBondContact O-CG 3.33Å; Q218-L222 PolarHBondContact O-N 3.47Å; Q218-L241 HydrophobicContact CB-CD2 4.09Å; Q218-I244 VanDerWaalsContact OE1-CD1 3.29Å |
| 219 | V | 92.9 | Very high | 84.8 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.7 | -50 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | N215 Q216 S221 L222 I223 L237 L241 I249 A252 V253 L256 | N215-V219 WeakPolarHBondContact O-CG2 3.38Å; N215-V219 PolarHBondContact O-N 3.06Å; Q216-V219 PolarHBondContact O-N 2.68Å; V219-S221 VanDerWaalsContact C-N 3.33Å; V219-S221 PolarHBondContact O-N 2.79Å; V219-L222 PolarHBondContact O-N 2.96Å; V219-I223 HydrophobicContact CG1-CD1 3.72Å; V219-I223 HydrophobicContact CG1-CG1 4.5Å; V219-I223 WeakPolarHBondContact O-CG1 3.39Å; V219-I223 PolarHBondContact O-N 3.46Å; V219-I223 VanDerWaalsContact O-N 3.08Å; V219-L237 HydrophobicContact CG1-CD1 4.22Å; V219-L237 HydrophobicContact CG1-CD2 4.47Å; V219-L241 HydrophobicContact CG2-CD1 3.62Å; V219-I249 HydrophobicContact CG2-CG2 4.43Å; V219-A252 HydrophobicContact CB-CB 4.32Å; V219-A252 HydrophobicContact CG2-CB 3.98Å; V219-V253 HydrophobicContact CG1-CG2 3.8Å; V219-L256 HydrophobicContact CB-CD1 4.23Å; V219-L256 HydrophobicContact CG1-CD1 3.86Å |
| 220 | L | 92.9 | Very high | 86.7 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.9 | -40.2 | -179.7 | -177.1 | 60.7 | 0 | 0 | 0 | 112.4 | L212 Q216 N217 L222 I223 K224 L256 H261 I262 | L212-L220 HydrophobicContact CD1-CD2 3.5Å; L212-L220 VanDerWaalsContact CD1-CD2 3.5Å; Q216-L220 WeakPolarHBondContact O-CB 3.33Å; Q216-L220 PolarHBondContact O-N 3Å; N217-L220 PolarHBondContact O-N 2.92Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 2.82Å; L220-I223 PolarHBondContact O-N 3.39Å; L220-K224 HydrophobicContact CD1-CD 4.46Å; L220-K224 HydrophobicContact CD1-CG 4.35Å; L220-K224 HydrophobicContact CG-CD 4.27Å; L220-K224 WeakPolarHBondContact O-CB 3.41Å; L220-K224 WeakPolarHBondContact O-CG 3.4Å; L220-K224 PolarHBondContact O-N 2.87Å; L220-L256 HydrophobicContact CB-CD1 3.89Å; L220-L256 HydrophobicContact CB-CD2 4.19Å; L220-L256 HydrophobicContact CD1-CD2 4.44Å; L220-L256 HydrophobicContact CD2-CD2 4.22Å; L220-H261 HydrophobicContact CD1-CB 4.02Å; L220-H261 HydrophobicContact CD2-CB 4.49Å; L220-I262 HydrophobicContact CD1-CG2 3.68Å |
| 221 | S | 90.6 | Very high | 88.1 | Confident | 77 Ų | 77 | 50.6 Ų | 50.6 | 54% | 0.538 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 179 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | N217 V219 G225 | N217-S221 VanDerWaalsContact O-CB 3.29Å; N217-S221 WeakPolarHBondContact O-CB 3.34Å; N217-S221 PolarHBondContact O-N 3.23Å; N217-S221 PolarHBondContact O-OG 3.22Å; V219-S221 VanDerWaalsContact C-N 3.33Å; V219-S221 PolarHBondContact O-N 2.79Å; S221-G225 PolarHBondContact O-N 2.62Å |
| 222 | L | 92.5 | Very high | 89.2 | Confident | 40 Ų | 40 | 48 Ų | 48 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71 | -36.6 | 176.4 | -73.4 | 177.2 | 0 | 0 | 0 | 112.6 | Q218 V219 L220 C226 I232 L237 R240 L241 | Q218-L222 WeakPolarHBondContact O-CG 3.33Å; Q218-L222 PolarHBondContact O-N 3.47Å; V219-L222 PolarHBondContact O-N 2.96Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 2.82Å; L222-C226 PolarHBondContact O-N 3.43Å; L222-I232 HydrophobicContact CB-CD1 4.42Å; L222-L237 HydrophobicContact CB-CD2 3.73Å; L222-L237 HydrophobicContact CD1-CD2 4.01Å; L222-R240 HydrophobicContact CD1-CB 3.84Å; L222-L241 HydrophobicContact CD1-CD1 3.88Å; L222-L241 HydrophobicContact CD1-CD2 3.7Å; L222-L241 HydrophobicContact CD1-CG 3.56Å |
| 223 | I | 92.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -44 | 176 | -64.8 | 168 | 0 | 0 | 0 | 110.5 | V219 L220 C226 I232 L237 I262 | V219-I223 HydrophobicContact CG1-CD1 3.72Å; V219-I223 HydrophobicContact CG1-CG1 4.5Å; V219-I223 WeakPolarHBondContact O-CG1 3.39Å; V219-I223 PolarHBondContact O-N 3.46Å; V219-I223 VanDerWaalsContact O-N 3.08Å; L220-I223 PolarHBondContact O-N 3.39Å; I223-C226 WeakPolarHBondContact O-CB 3.11Å; I223-C226 PolarHBondContact O-N 2.91Å; I223-I232 HydrophobicContact CB-CG2 4.11Å; I223-I232 HydrophobicContact CG1-CG2 3.5Å; I223-I232 HydrophobicContact CG2-CG2 4.42Å; I223-L237 HydrophobicContact CD1-CD1 4.35Å; I223-L237 HydrophobicContact CG1-CD1 4.31Å; I223-L237 HydrophobicContact CG1-CD2 4.24Å; I223-I262 HydrophobicContact CB-CG2 4.42Å; I223-I262 HydrophobicContact CD1-CD1 3.69Å; I223-I262 HydrophobicContact CD1-CG2 3.91Å; I223-I262 HydrophobicContact CG2-CG2 3.86Å |
| 224 | K | 90.5 | Very high | 89.9 | Confident | 82 Ų | 82 | 47.6 Ų | 47.6 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 175.5 | -75.4 | -176.1 | 171.4 | -162.7 | 0 | 112.7 | L220 C226 S273 D275 | L220-K224 HydrophobicContact CD1-CD 4.46Å; L220-K224 HydrophobicContact CD1-CG 4.35Å; L220-K224 HydrophobicContact CG-CD 4.27Å; L220-K224 WeakPolarHBondContact O-CB 3.41Å; L220-K224 WeakPolarHBondContact O-CG 3.4Å; L220-K224 PolarHBondContact O-N 2.87Å; K224-C226 PolarHBondContact O-N 3.32Å; K224-S273 VanDerWaalsContact CE-OG 3.28Å; K224-S273 WeakPolarHBondContact CE-OG 3.26Å; K224-S273 WeakPolarHBondContact CG-OG 3.4Å; K224-D275 WeakPolarHBondContact CE-OD2 3.49Å; K224-D275 IonicContact NZ-OD2 3.41Å; K224-D275 PolarHBondContact NZ-OD2 3.5Å |
| 225 | G | 86.6 | Confident | 90.3 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 58% | 0.577 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | S221 P227 | S221-G225 PolarHBondContact O-N 2.62Å; G225-P227 WeakPolarHBondContact O-CD 3.44Å |
| 226 | C | 88.1 | Confident | 90.4 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 11% | 0.108 | 30% | 0.299 | C | S | . | . | trans | -82.7 | 115.1 | -179.3 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | L222 I223 K224 D228 G231 I232 | L222-C226 PolarHBondContact O-N 3.43Å; I223-C226 WeakPolarHBondContact O-CB 3.11Å; I223-C226 PolarHBondContact O-N 2.91Å; K224-C226 PolarHBondContact O-N 3.32Å; C226-D228 VanDerWaalsContact C-N 3.26Å; C226-D228 PolarHBondContact O-N 2.94Å; C226-G231 VanDerWaalsContact SG-C 3.59Å; C226-I232 HydrophobicContact CB-CB 4.07Å | ||
| 227 | P | 84 | Confident | 90.4 | Very high | 114 Ų | 114 | 50.9 Ų | 50.9 | 74% | 0.74 | 29% | 0.292 | S | S | * | . | trans | -77.7 | -13.1 | 179.8 | 33.2 | -36 | 0 | 0 | 0 | 112.8 | G225 | G225-P227 WeakPolarHBondContact O-CD 3.44Š| ||
| 228 | D | 87.2 | Confident | 90.5 | Very high | 93 Ų | 93 | 52.5 Ų | 52.5 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | trans | -71.3 | 130 | -174.5 | -70.6 | -51.6 | 0 | 0 | 0 | 110.6 | C226 Q230 G231 | C226-D228 VanDerWaalsContact C-N 3.26Å; C226-D228 PolarHBondContact O-N 2.94Å; D228-Q230 PolarHBondContact O-N 3.21Å; D228-Q230 VanDerWaalsContact O-N 3.11Å; D228-G231 PolarHBondContact O-N 2.97Å | ||
| 229 | P | 82.5 | Confident | 90.6 | Very high | 104 Ų | 104 | 55.1 Ų | 55.1 | 68% | 0.675 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.9 | -177.6 | -26.4 | 34 | 0 | 0 | 0 | 113.3 | G231 K272 | P229-G231 VanDerWaalsContact C-N 3.27Å; P229-G231 PolarHBondContact O-N 3.48Å; P229-K272 PolarHBondContact O-NZ 3.46Å |
| 230 | Q | 87 | Confident | 90.5 | Very high | 114 Ų | 114 | 62.2 Ų | 62.2 | 53% | 0.533 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -5.8 | 180 | -62.1 | 178.2 | 3.6 | 0 | 0 | 112.9 | D228 T265 I266 | D228-Q230 PolarHBondContact O-N 3.21Å; D228-Q230 VanDerWaalsContact O-N 3.11Å; Q230-T265 WeakPolarHBondContact O-CB 3.4Å; Q230-T265 PolarHBondContact O-OG1 2.81Å; Q230-I266 HydrophobicContact CB-CD1 4.07Å; Q230-I266 HydrophobicContact CB-CG2 4.36Å; Q230-I266 HydrophobicContact CG-CD1 4.29Å; Q230-I266 HydrophobicContact CG-CG2 4.14Å |
| 231 | G | 90.7 | Very high | 90.4 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | trans | 81.1 | -172.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C226 D228 P229 Y271 | C226-G231 VanDerWaalsContact SG-C 3.59Å; D228-G231 PolarHBondContact O-N 2.97Å; P229-G231 VanDerWaalsContact C-N 3.27Å; P229-G231 PolarHBondContact O-N 3.48Å; G231-Y271 CarbonylContact C-O 3.53Å; G231-Y271 VanDerWaalsContact CA-O 3.26Å; G231-Y271 WeakPolarHBondContact CA-O 3.23Å | ||
| 232 | I | 94.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.015 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138.6 | -176.9 | -168.9 | 167.6 | 0 | 0 | 0 | 110.8 | L222 I223 C226 D236 L237 Y271 | L222-I232 HydrophobicContact CB-CD1 4.42Å; I223-I232 HydrophobicContact CB-CG2 4.11Å; I223-I232 HydrophobicContact CG1-CG2 3.5Å; I223-I232 HydrophobicContact CG2-CG2 4.42Å; C226-I232 HydrophobicContact CB-CB 4.07Å; I232-D236 HydrophobicContact CD1-CB 4.22Å; I232-D236 HydrophobicContact CG1-CB 3.75Å; I232-L237 HydrophobicContact CD1-CD2 3.83Å; I232-L237 HydrophobicContact CD1-CG 4.07Å; I232-L237 HydrophobicContact CG1-CD2 4.43Å; I232-L237 HydrophobicContact CG1-CG 4.18Å; I232-L237 HydrophobicContact CG2-CD1 4.3Å; I232-L237 HydrophobicContact CG2-CD2 4.17Å; I232-L237 HydrophobicContact CG2-CG 4.11Å; I232-Y271 PolarHBondContact N-O 3.43Å; I232-Y271 PolarHBondContact O-N 3.29Å |
| 233 | S | 95.1 | Very high | 89.9 | Confident | 15 Ų | 15 | 65.5 Ų | 65.5 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 155.5 | 176.6 | 77.9 | 0 | 0 | 0 | 0 | 112.4 | Q235 D236 L237 D269 | S233-Q235 PolarHBondContact O-N 3.18Å; S233-Q235 PolarHBondContact OG-N 3.04Å; S233-D236 PolarHBondContact O-N 2.87Å; S233-D236 PolarHBondContact OG-N 3Å; S233-D236 PolarHBondContact OG-OD2 2.93Å; S233-L237 PolarHBondContact O-N 3.25Å; S233-D269 CarbonylContact C-O 3.58Å; S233-D269 VanDerWaalsContact CA-O 3.26Å; S233-D269 WeakPolarHBondContact CA-O 3.43Å |
| 234 | I | 93.4 | Very high | 89.8 | Confident | 13 Ų | 13 | 66.3 Ų | 66.3 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.9 | -34.3 | 171 | -75.1 | 175.4 | 0 | 0 | 0 | 111.7 | L237 K238 L246 K250 D269 Y271 | I234-L237 PolarHBondContact O-N 3.44Å; I234-K238 PolarHBondContact O-N 2.65Å; I234-L246 HydrophobicContact CG2-CD1 3.7Å; I234-K250 HydrophobicContact CD1-CG 4.48Å; I234-D269 PolarHBondContact N-O 2.99Å; I234-Y271 HydrophobicContact CD1-CE2 3.68Å; I234-Y271 HydrophobicContact CG1-CD2 4.21Å; I234-Y271 HydrophobicContact CG1-CE2 3.67Å |
| 235 | Q | 92.1 | Very high | 89.9 | Confident | 135 Ų | 135 | 65.4 Ų | 65.4 | 63% | 0.631 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69 | -40.3 | 179.3 | -170.3 | 68.7 | -9.6 | 0 | 0 | 111.6 | S233 K238 Q239 | S233-Q235 PolarHBondContact O-N 3.18Å; S233-Q235 PolarHBondContact OG-N 3.04Å; Q235-K238 PolarHBondContact O-N 2.84Å; Q235-Q239 PolarHBondContact O-N 2.94Å |
| 236 | D | 92.3 | Very high | 90 | Very high | 63 Ų | 63 | 66 Ų | 66 | 34% | 0.337 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.2 | -39 | 176.1 | -64.7 | -44 | 0 | 0 | 0 | 111.6 | I232 S233 K238 Q239 R240 | I232-D236 HydrophobicContact CD1-CB 4.22Å; I232-D236 HydrophobicContact CG1-CB 3.75Å; S233-D236 PolarHBondContact O-N 2.87Å; S233-D236 PolarHBondContact OG-N 3Å; S233-D236 PolarHBondContact OG-OD2 2.93Å; D236-K238 VanDerWaalsContact C-N 3.28Å; D236-K238 PolarHBondContact O-N 3.26Å; D236-Q239 PolarHBondContact O-N 3.45Å; D236-R240 WeakPolarHBondContact O-CG 3.37Å; D236-R240 PolarHBondContact O-N 3.4Å |
| 237 | L | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 170.4 | -74.8 | 171.3 | 0 | 0 | 0 | 110.7 | V219 L222 I223 I232 S233 I234 Q239 R240 L241 I249 V253 | V219-L237 HydrophobicContact CG1-CD1 4.22Å; V219-L237 HydrophobicContact CG1-CD2 4.47Å; L222-L237 HydrophobicContact CB-CD2 3.73Å; L222-L237 HydrophobicContact CD1-CD2 4.01Å; I223-L237 HydrophobicContact CD1-CD1 4.35Å; I223-L237 HydrophobicContact CG1-CD1 4.31Å; I223-L237 HydrophobicContact CG1-CD2 4.24Å; I232-L237 HydrophobicContact CD1-CD2 3.83Å; I232-L237 HydrophobicContact CD1-CG 4.07Å; I232-L237 HydrophobicContact CG1-CD2 4.43Å; I232-L237 HydrophobicContact CG1-CG 4.18Å; I232-L237 HydrophobicContact CG2-CD1 4.3Å; I232-L237 HydrophobicContact CG2-CD2 4.17Å; I232-L237 HydrophobicContact CG2-CG 4.11Å; S233-L237 PolarHBondContact O-N 3.25Å; I234-L237 PolarHBondContact O-N 3.44Å; L237-Q239 PolarHBondContact O-N 2.91Å; L237-R240 PolarHBondContact O-N 3.23Å; L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.47Å; L237-L241 WeakPolarHBondContact O-CG 3.28Å; L237-L241 PolarHBondContact O-N 2.96Å; L237-I249 HydrophobicContact CB-CG2 4.06Å; L237-I249 HydrophobicContact CD1-CG2 4.38Å; L237-V253 HydrophobicContact CD1-CG2 4.05Å |
| 238 | K | 92.2 | Very high | 90.4 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 26% | 0.257 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -35.9 | 178.1 | 177.8 | 57.6 | -164.1 | 146.3 | 0 | 113 | I234 Q235 D236 L241 S242 I244 L246 I249 | I234-K238 PolarHBondContact O-N 2.65Å; Q235-K238 PolarHBondContact O-N 2.84Å; D236-K238 VanDerWaalsContact C-N 3.28Å; D236-K238 PolarHBondContact O-N 3.26Å; K238-L241 CarbonylContact O-C 3.48Å; K238-S242 PolarHBondContact NZ-O 2.84Å; K238-S242 PolarHBondContact O-N 3.3Å; K238-I244 PolarHBondContact NZ-O 2.9Å; K238-L246 HydrophobicContact CB-CD1 4.12Å; K238-L246 HydrophobicContact CD-CB 4.36Å; K238-L246 HydrophobicContact CG-CD1 4.3Å; K238-I249 HydrophobicContact CB-CD1 4.11Å; K238-I249 HydrophobicContact CD-CD1 3.85Å |
| 239 | Q | 92.4 | Very high | 90.7 | Very high | 150 Ų | 150 | 60.9 Ų | 60.9 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.8 | -41.8 | 176.9 | -171.1 | 177.1 | 4 | 0 | 0 | 111.7 | Q235 D236 L237 | Q235-Q239 PolarHBondContact O-N 2.94Å; D236-Q239 PolarHBondContact O-N 3.45Å; L237-Q239 PolarHBondContact O-N 2.91Å |
| 240 | R | 90.6 | Very high | 91.2 | Very high | 149 Ų | 149 | 60.9 Ų | 60.9 | 56% | 0.562 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -76.4 | -31.7 | 179.3 | -65.8 | -177.3 | -171.7 | -148.5 | 4.6 | 112.8 | L222 D236 L237 | L222-R240 HydrophobicContact CD1-CB 3.84Å; D236-R240 WeakPolarHBondContact O-CG 3.37Å; D236-R240 PolarHBondContact O-N 3.4Å; L237-R240 PolarHBondContact O-N 3.23Å |
| 241 | L | 90.9 | Very high | 91.5 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 55.1 | 176.5 | -58 | 172.1 | 0 | 0 | 0 | 110.6 | Q218 V219 L222 L237 K238 G243 I244 I249 | Q218-L241 HydrophobicContact CB-CD2 4.09Å; V219-L241 HydrophobicContact CG2-CD1 3.62Å; L222-L241 HydrophobicContact CD1-CD1 3.88Å; L222-L241 HydrophobicContact CD1-CD2 3.7Å; L222-L241 HydrophobicContact CD1-CG 3.56Å; L237-L241 VanDerWaalsContact O-CB 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.47Å; L237-L241 WeakPolarHBondContact O-CG 3.28Å; L237-L241 PolarHBondContact O-N 2.96Å; K238-L241 CarbonylContact O-C 3.48Å; L241-G243 PolarHBondContact O-N 3.28Å; L241-G243 VanDerWaalsContact O-N 3.13Å; L241-I244 HydrophobicContact CB-CB 4.27Å; L241-I244 HydrophobicContact CB-CD1 4.06Å; L241-I244 HydrophobicContact CB-CG1 4.27Å; L241-I244 HydrophobicContact CD1-CD1 4.19Å; L241-I244 HydrophobicContact CD2-CD1 4.12Å; L241-I244 HydrophobicContact CG-CD1 4.35Å; L241-I244 PolarHBondContact O-N 3.32Å; L241-I249 HydrophobicContact CB-CD1 4.03Å; L241-I249 HydrophobicContact CD1-CD1 4.39Å; L241-I249 HydrophobicContact CD1-CG1 4.4Å |
| 242 | S | 86.5 | Confident | 91.7 | Very high | 97 Ų | 97 | 61.7 Ų | 61.7 | 68% | 0.678 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -31.8 | -174.8 | 61.6 | 0 | 0 | 0 | 0 | 113.2 | K238 I244 | K238-S242 PolarHBondContact NZ-O 2.84Å; K238-S242 PolarHBondContact O-N 3.3Å; S242-I244 VanDerWaalsContact C-N 3.35Å; S242-I244 PolarHBondContact O-N 3.35Å |
| 243 | G | 85.9 | Confident | 91.7 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 84% | 0.835 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -5.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L241 | L241-G243 PolarHBondContact O-N 3.28Å; L241-G243 VanDerWaalsContact O-N 3.13Å |
| 244 | I | 90.2 | Very high | 91.6 | Very high | 20 Ų | 20 | 66.9 Ų | 66.9 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -110 | 135.8 | -179 | -53.8 | 179.9 | 0 | 0 | 0 | 109.3 | N215 Q218 K238 L241 S242 V248 I249 | N215-I244 HydrophobicContact CB-CD1 4.47Å; Q218-I244 VanDerWaalsContact OE1-CD1 3.29Å; K238-I244 PolarHBondContact NZ-O 2.9Å; L241-I244 HydrophobicContact CB-CB 4.27Å; L241-I244 HydrophobicContact CB-CD1 4.06Å; L241-I244 HydrophobicContact CB-CG1 4.27Å; L241-I244 HydrophobicContact CD1-CD1 4.19Å; L241-I244 HydrophobicContact CD2-CD1 4.12Å; L241-I244 HydrophobicContact CG-CD1 4.35Å; L241-I244 PolarHBondContact O-N 3.32Å; S242-I244 VanDerWaalsContact C-N 3.35Å; S242-I244 PolarHBondContact O-N 3.35Å; I244-V248 HydrophobicContact CG2-CB 3.75Å; I244-V248 HydrophobicContact CG2-CG1 3.53Å; I244-I249 HydrophobicContact CB-CD1 4.41Å; I244-I249 HydrophobicContact CB-CG1 4.22Å; I244-I249 HydrophobicContact CG2-CG1 3.83Å |
| 245 | S | 92.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 69.6 Ų | 69.6 | 44% | 0.441 | 38% | 0.376 | S | S | . | . | trans | -66.7 | 149.6 | 178.9 | 75.3 | 0 | 0 | 0 | 0 | 111.4 | A247 V248 I249 | S245-A247 PolarHBondContact O-N 2.97Å; S245-V248 PolarHBondContact O-N 3.32Å; S245-V248 VanDerWaalsContact O-N 3.11Å; S245-V248 VanDerWaalsContact OG-CG2 3.26Å; S245-V248 WeakPolarHBondContact OG-CG2 3.38Å; S245-V248 PolarHBondContact OG-N 3Å; S245-I249 PolarHBondContact O-N 3.32Å; S245-I249 VanDerWaalsContact O-N 3.1Å | ||
| 246 | L | 89.6 | Confident | 91.8 | Very high | 69 Ų | 69 | 63.2 Ų | 63.2 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59 | -35.3 | 178.9 | -177.2 | 64.3 | 0 | 0 | 0 | 111.9 | I234 K238 V248 I249 K250 | I234-L246 HydrophobicContact CG2-CD1 3.7Å; K238-L246 HydrophobicContact CB-CD1 4.12Å; K238-L246 HydrophobicContact CD-CB 4.36Å; K238-L246 HydrophobicContact CG-CD1 4.3Å; L246-V248 PolarHBondContact O-N 2.84Å; L246-I249 PolarHBondContact O-N 2.85Å; L246-K250 WeakPolarHBondContact O-CG 3.28Å; L246-K250 PolarHBondContact O-N 2.99Å |
| 247 | A | 90.8 | Very high | 91.7 | Very high | 71 Ų | 71 | 62.5 Ų | 62.5 | 59% | 0.587 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.2 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S245 K250 Q251 | S245-A247 PolarHBondContact O-N 2.97Å; A247-K250 PolarHBondContact O-N 2.98Å; A247-Q251 WeakPolarHBondContact O-CB 3.3Å; A247-Q251 PolarHBondContact O-N 2.59Å |
| 248 | V | 89.3 | Confident | 91.6 | Very high | 45 Ų | 45 | 68.3 Ų | 68.3 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.6 | -36.4 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | N215 I244 S245 L246 Q251 A252 | N215-V248 HydrophobicContact CB-CG1 4.09Å; N215-V248 WeakPolarHBondContact ND2-CG1 3.36Å; I244-V248 HydrophobicContact CG2-CB 3.75Å; I244-V248 HydrophobicContact CG2-CG1 3.53Å; S245-V248 PolarHBondContact O-N 3.32Å; S245-V248 VanDerWaalsContact O-N 3.11Å; S245-V248 VanDerWaalsContact OG-CG2 3.26Å; S245-V248 WeakPolarHBondContact OG-CG2 3.38Å; S245-V248 PolarHBondContact OG-N 3Å; L246-V248 PolarHBondContact O-N 2.84Å; V248-Q251 PolarHBondContact O-N 2.79Å; V248-A252 WeakPolarHBondContact O-CB 3.41Å; V248-A252 PolarHBondContact O-N 3.06Å |
| 249 | I | 92.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.6 | -46.9 | 174.4 | -64.5 | 172.1 | 0 | 0 | 0 | 110.3 | V219 L237 K238 L241 I244 S245 L246 Q251 A252 V253 | V219-I249 HydrophobicContact CG2-CG2 4.43Å; L237-I249 HydrophobicContact CB-CG2 4.06Å; L237-I249 HydrophobicContact CD1-CG2 4.38Å; K238-I249 HydrophobicContact CB-CD1 4.11Å; K238-I249 HydrophobicContact CD-CD1 3.85Å; L241-I249 HydrophobicContact CB-CD1 4.03Å; L241-I249 HydrophobicContact CD1-CD1 4.39Å; L241-I249 HydrophobicContact CD1-CG1 4.4Å; I244-I249 HydrophobicContact CB-CD1 4.41Å; I244-I249 HydrophobicContact CB-CG1 4.22Å; I244-I249 HydrophobicContact CG2-CG1 3.83Å; S245-I249 PolarHBondContact O-N 3.32Å; S245-I249 VanDerWaalsContact O-N 3.1Å; L246-I249 PolarHBondContact O-N 2.85Å; I249-Q251 PolarHBondContact O-N 2.83Å; I249-A252 PolarHBondContact O-N 3.19Å; I249-V253 HydrophobicContact CG2-CG2 4.41Å; I249-V253 WeakPolarHBondContact O-CG2 3.42Å; I249-V253 PolarHBondContact O-N 3.41Å |
| 250 | K | 93.8 | Very high | 91.3 | Very high | 104 Ų | 104 | 65.8 Ų | 65.8 | 45% | 0.452 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 177.5 | -73.6 | -170.7 | 174.4 | -159.1 | 0 | 112.2 | I234 L246 A247 A252 V253 E254 | I234-K250 HydrophobicContact CD1-CG 4.48Å; L246-K250 WeakPolarHBondContact O-CG 3.28Å; L246-K250 PolarHBondContact O-N 2.99Å; A247-K250 PolarHBondContact O-N 2.98Å; K250-A252 VanDerWaalsContact C-N 3.32Å; K250-A252 PolarHBondContact O-N 3.06Å; K250-V253 PolarHBondContact O-N 3.11Å; K250-E254 WeakPolarHBondContact O-CB 3.17Å; K250-E254 PolarHBondContact O-N 3.25Å |
| 251 | Q | 93.4 | Very high | 91.2 | Very high | 132 Ų | 132 | 61.8 Ų | 61.8 | 62% | 0.617 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.3 | -39.4 | 176.6 | -171.6 | -178.2 | 11.1 | 0 | 0 | 112.2 | A247 V248 I249 F255 | A247-Q251 WeakPolarHBondContact O-CB 3.3Å; A247-Q251 PolarHBondContact O-N 2.59Å; V248-Q251 PolarHBondContact O-N 2.79Å; I249-Q251 PolarHBondContact O-N 2.83Å; Q251-F255 WeakPolarHBondContact O-CB 3.26Å; Q251-F255 PolarHBondContact O-N 3.1Å |
| 252 | A | 94.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q216 V219 V248 I249 K250 F255 L256 | Q216-A252 HydrophobicContact CG-CB 3.89Å; V219-A252 HydrophobicContact CB-CB 4.32Å; V219-A252 HydrophobicContact CG2-CB 3.98Å; V248-A252 WeakPolarHBondContact O-CB 3.41Å; V248-A252 PolarHBondContact O-N 3.06Å; I249-A252 PolarHBondContact O-N 3.19Å; K250-A252 VanDerWaalsContact C-N 3.32Å; K250-A252 PolarHBondContact O-N 3.06Å; A252-F255 PolarHBondContact O-N 3.34Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 WeakPolarHBondContact O-CG 3.48Å; A252-L256 PolarHBondContact O-N 3.49Å |
| 253 | V | 95 | Very high | 91.6 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 176.5 | 168.8 | 0 | 0 | 0 | 0 | 111.2 | V219 L237 I249 K250 F255 L256 S257 I262 Y271 | V219-V253 HydrophobicContact CG1-CG2 3.8Å; L237-V253 HydrophobicContact CD1-CG2 4.05Å; I249-V253 HydrophobicContact CG2-CG2 4.41Å; I249-V253 WeakPolarHBondContact O-CG2 3.42Å; I249-V253 PolarHBondContact O-N 3.41Å; K250-V253 PolarHBondContact O-N 3.11Å; V253-F255 PolarHBondContact O-N 3.19Å; V253-L256 PolarHBondContact O-N 3.38Å; V253-S257 WeakPolarHBondContact O-CB 3.27Å; V253-S257 PolarHBondContact O-N 2.9Å; V253-I262 HydrophobicContact CB-CD1 4.46Å; V253-I262 HydrophobicContact CG1-CD1 3.98Å; V253-Y271 HydrophobicContact CG1-CD1 3.68Å; V253-Y271 HydrophobicContact CG1-CD2 3.99Å; V253-Y271 HydrophobicContact CG1-CE1 3.27Å; V253-Y271 HydrophobicContact CG1-CE2 3.67Å; V253-Y271 HydrophobicContact CG1-CG 4.01Å |
| 254 | E | 93.5 | Very high | 92 | Very high | 125 Ų | 125 | 60.1 Ų | 60.1 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59 | -47 | 177.4 | -177.6 | 177.9 | -168.1 | 0 | 0 | 111.6 | K250 S257 N258 | K250-E254 WeakPolarHBondContact O-CB 3.17Å; K250-E254 PolarHBondContact O-N 3.25Å; E254-S257 PolarHBondContact O-N 3.29Å; E254-N258 WeakPolarHBondContact O-CB 3.45Å; E254-N258 VanDerWaalsContact O-CG 3.24Å; E254-N258 PolarHBondContact O-N 3.32Å; E254-N258 PolarHBondContact O-ND2 2.66Å |
| 255 | F | 94.2 | Very high | 92 | Very high | 70 Ų | 70 | 61.3 Ų | 61.3 | 31% | 0.307 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 175.6 | 178.2 | -89.4 | 0 | 0 | 0 | 112 | L212 Q216 Q251 A252 V253 S257 N258 E259 | L212-F255 HydrophobicContact CD2-CD1 4.29Å; L212-F255 HydrophobicContact CD2-CE1 3.59Å; Q216-F255 HydrophobicContact CG-CD1 4.24Å; Q251-F255 WeakPolarHBondContact O-CB 3.26Å; Q251-F255 PolarHBondContact O-N 3.1Å; A252-F255 PolarHBondContact O-N 3.34Å; V253-F255 PolarHBondContact O-N 3.19Å; F255-S257 PolarHBondContact O-N 2.99Å; F255-N258 PolarHBondContact O-N 3.33Å; F255-E259 HydrophobicContact CD1-CG 4.07Å; F255-E259 HydrophobicContact CD2-CG 4.37Å; F255-E259 HydrophobicContact CE1-CG 3.62Å; F255-E259 HydrophobicContact CE2-CG 3.96Å; F255-E259 HydrophobicContact CG-CG 4.43Å; F255-E259 HydrophobicContact CZ-CG 3.57Å; F255-E259 WeakPolarHBondContact O-CB 3.45Å; F255-E259 WeakPolarHBondContact O-CG 3.39Å; F255-E259 PolarHBondContact O-N 2.75Å |
| 256 | L | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.1 | -32.6 | -179.4 | -70.2 | 170.8 | 0 | 0 | 0 | 112.1 | L212 V219 L220 A252 V253 G260 H261 I262 | L212-L256 HydrophobicContact CD1-CD2 3.9Å; L212-L256 HydrophobicContact CD2-CD2 3.92Å; V219-L256 HydrophobicContact CB-CD1 4.23Å; V219-L256 HydrophobicContact CG1-CD1 3.86Å; L220-L256 HydrophobicContact CB-CD1 3.89Å; L220-L256 HydrophobicContact CB-CD2 4.19Å; L220-L256 HydrophobicContact CD1-CD2 4.44Å; L220-L256 HydrophobicContact CD2-CD2 4.22Å; A252-L256 WeakPolarHBondContact O-CB 3.42Å; A252-L256 WeakPolarHBondContact O-CG 3.48Å; A252-L256 PolarHBondContact O-N 3.49Å; V253-L256 PolarHBondContact O-N 3.38Å; L256-G260 PolarHBondContact O-N 2.96Å; L256-H261 HydrophobicContact CB-CB 4.27Å; L256-H261 HydrophobicContact CD2-CB 4.03Å; L256-H261 WeakPolarHBondContact O-CB 3.4Å; L256-H261 PolarHBondContact O-N 3.05Å; L256-I262 HydrophobicContact CB-CD1 3.71Å; L256-I262 HydrophobicContact CB-CG1 3.8Å; L256-I262 HydrophobicContact CB-CG2 4.39Å; L256-I262 HydrophobicContact CD1-CD1 4.46Å; L256-I262 PolarHBondContact O-N 3.46Å |
| 257 | S | 92.1 | Very high | 91.7 | Very high | 48 Ų | 48 | 63 Ų | 63 | 34% | 0.336 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.7 | -48.1 | 174.7 | -171.3 | 0 | 0 | 0 | 0 | 111.1 | V253 E254 F255 E259 G260 | V253-S257 WeakPolarHBondContact O-CB 3.27Å; V253-S257 PolarHBondContact O-N 2.9Å; E254-S257 PolarHBondContact O-N 3.29Å; F255-S257 PolarHBondContact O-N 2.99Å; S257-E259 VanDerWaalsContact C-N 3.33Å; S257-E259 PolarHBondContact O-N 2.97Å; S257-G260 PolarHBondContact O-N 2.91Å |
| 258 | N | 90.8 | Very high | 91.6 | Very high | 123 Ų | 123 | 67.5 Ų | 67.5 | 66% | 0.658 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.8 | -36.7 | 179.5 | -69.9 | -21 | 0 | 0 | 0 | 112.9 | E254 F255 G260 | E254-N258 WeakPolarHBondContact O-CB 3.45Å; E254-N258 VanDerWaalsContact O-CG 3.24Å; E254-N258 PolarHBondContact O-N 3.32Å; E254-N258 PolarHBondContact O-ND2 2.66Å; F255-N258 PolarHBondContact O-N 3.33Å; N258-G260 PolarHBondContact O-N 2.84Å |
| 259 | E | 87.4 | Confident | 91.7 | Very high | 117 Ų | 117 | 69.4 Ų | 69.4 | 55% | 0.547 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -2.5 | 174.7 | -65.6 | -63 | 130.7 | 0 | 0 | 113.2 | F255 S257 H261 | F255-E259 HydrophobicContact CD1-CG 4.07Å; F255-E259 HydrophobicContact CD2-CG 4.37Å; F255-E259 HydrophobicContact CE1-CG 3.62Å; F255-E259 HydrophobicContact CE2-CG 3.96Å; F255-E259 HydrophobicContact CG-CG 4.43Å; F255-E259 HydrophobicContact CZ-CG 3.57Å; F255-E259 WeakPolarHBondContact O-CB 3.45Å; F255-E259 WeakPolarHBondContact O-CG 3.39Å; F255-E259 PolarHBondContact O-N 2.75Å; S257-E259 VanDerWaalsContact C-N 3.33Å; S257-E259 PolarHBondContact O-N 2.97Å; E259-H261 PolarHBondContact O-N 3.38Å |
| 260 | G | 89.3 | Confident | 91.8 | Very high | 39 Ų | 39 | 71.3 Ų | 71.3 | 40% | 0.402 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 14.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L256 S257 N258 T274 | L256-G260 PolarHBondContact O-N 2.96Å; S257-G260 PolarHBondContact O-N 2.91Å; N258-G260 PolarHBondContact O-N 2.84Å; G260-T274 WeakPolarHBondContact O-CB 3.48Å; G260-T274 PolarHBondContact O-OG1 3.37Å |
| 261 | H | 89.6 | Confident | 91.8 | Very high | 64 Ų | 64 | 67.8 Ų | 67.8 | 30% | 0.296 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -75.3 | -28.3 | 177 | -67.3 | -56.8 | 0 | 0 | 0 | 113.6 | L220 L256 E259 S273 T274 | L220-H261 HydrophobicContact CD1-CB 4.02Å; L220-H261 HydrophobicContact CD2-CB 4.49Å; L256-H261 HydrophobicContact CB-CB 4.27Å; L256-H261 HydrophobicContact CD2-CB 4.03Å; L256-H261 WeakPolarHBondContact O-CB 3.4Å; L256-H261 PolarHBondContact O-N 3.05Å; E259-H261 PolarHBondContact O-N 3.38Å; H261-S273 WeakPolarHBondContact O-CA 3.45Å; H261-S273 PolarHBondContact O-OG 3.26Å; H261-S273 VanDerWaalsContact O-OG 3.13Å; H261-T274 VanDerWaalsContact C-OG1 3.28Å; H261-T274 PolarHBondContact O-N 3.23Å; H261-T274 PolarHBondContact O-OG1 3.01Å |
| 262 | I | 94.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 161.4 | -179.1 | 68.1 | 177.4 | 0 | 0 | 0 | 110.5 | L220 I223 V253 L256 Y271 K272 T274 | L220-I262 HydrophobicContact CD1-CG2 3.68Å; I223-I262 HydrophobicContact CB-CG2 4.42Å; I223-I262 HydrophobicContact CD1-CD1 3.69Å; I223-I262 HydrophobicContact CD1-CG2 3.91Å; I223-I262 HydrophobicContact CG2-CG2 3.86Å; V253-I262 HydrophobicContact CB-CD1 4.46Å; V253-I262 HydrophobicContact CG1-CD1 3.98Å; L256-I262 HydrophobicContact CB-CD1 3.71Å; L256-I262 HydrophobicContact CB-CG1 3.8Å; L256-I262 HydrophobicContact CB-CG2 4.39Å; L256-I262 HydrophobicContact CD1-CD1 4.46Å; L256-I262 PolarHBondContact O-N 3.46Å; I262-Y271 HydrophobicContact CD1-CD1 3.8Å; I262-Y271 HydrophobicContact CD1-CG 4.24Å; I262-Y271 HydrophobicContact CG1-CD1 4.34Å; I262-K272 CarbonylContact C-O 3.59Å; I262-K272 WeakPolarHBondContact CA-O 3.34Å; I262-K272 VanDerWaalsContact CB-O 3.28Å; I262-K272 WeakPolarHBondContact CB-O 3.48Å; I262-T274 PolarHBondContact N-OG1 2.69Å |
| 263 | F | 92.1 | Very high | 91.7 | Very high | 93 Ų | 93 | 65.4 Ų | 65.4 | 41% | 0.408 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 154.4 | 173 | 64.3 | -86.3 | 0 | 0 | 0 | 110.9 | T265 Y271 K272 S273 | F263-T265 HydrophobicContact CD2-CG2 4.32Å; F263-T265 HydrophobicContact CE2-CG2 3.86Å; F263-Y271 WeakPolarHBondContact O-CA 3.38Å; F263-K272 HydrophobicContact CE1-CB 4.16Å; F263-K272 HydrophobicContact CE2-CB 4.37Å; F263-K272 HydrophobicContact CZ-CB 3.96Å; F263-K272 HydrophobicContact CZ-CD 4.31Å; F263-K272 HydrophobicContact CZ-CG 4.38Å; F263-K272 PolarHBondContact N-O 3.33Å; F263-K272 PolarHBondContact O-N 2.57Å; F263-S273 WeakPolarHBondContact CE1-O 3.27Å |
| 264 | S | 93.3 | Very high | 91.4 | Very high | 69 Ų | 69 | 68.4 Ų | 68.4 | 48% | 0.483 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 138 | 174 | 57.4 | 0 | 0 | 0 | 0 | 111 | H270 | S264-H270 VanDerWaalsContact CA-O 3.28Å; S264-H270 WeakPolarHBondContact CA-O 3.23Å |
| 265 | T | 90.1 | Very high | 90.6 | Very high | 45 Ų | 45 | 67.1 Ų | 67.1 | 28% | 0.276 | 36% | 0.355 | S | S | . | . | trans | -100.7 | -83.4 | -173.2 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | Q230 F263 H270 K272 | Q230-T265 WeakPolarHBondContact O-CB 3.4Å; Q230-T265 PolarHBondContact O-OG1 2.81Å; F263-T265 HydrophobicContact CD2-CG2 4.32Å; F263-T265 HydrophobicContact CE2-CG2 3.86Å; T265-H270 PolarHBondContact N-O 3.28Å; T265-H270 VanDerWaalsContact OG1-CB 3.3Å; T265-H270 WeakPolarHBondContact OG1-CB 3.33Å; T265-H270 PolarHBondContact OG1-O 3.42Å; T265-K272 HydrophobicContact CG2-CB 3.61Å; T265-K272 HydrophobicContact CG2-CD 4.46Å | ||
| 266 | I | 86.9 | Confident | 88.8 | Confident | 95 Ų | 95 | 70.7 Ų | 70.7 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -94.8 | -25.2 | -172 | 55.6 | 166.6 | 0 | 0 | 0 | 112.9 | Q230 H270 | Q230-I266 HydrophobicContact CB-CD1 4.07Å; Q230-I266 HydrophobicContact CB-CG2 4.36Å; Q230-I266 HydrophobicContact CG-CD1 4.29Å; Q230-I266 HydrophobicContact CG-CG2 4.14Å; I266-H270 HydrophobicContact CG1-CB 3.84Å |
| 267 | D | 89.6 | Confident | 86.6 | Confident | 73 Ų | 73 | 77.6 Ų | 77.6 | 39% | 0.39 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -154.4 | -175.1 | 177.5 | 61.4 | 34.1 | 0 | 0 | 0 | 110 | D269 H270 | D267-D269 PolarHBondContact O-N 3.38Å; D267-D269 WeakPolarHBondContact OD1-CA 3.45Å; D267-D269 PolarHBondContact OD1-N 3.49Å; D267-H270 IonicContact OD1-CE1 3.38Å; D267-H270 IonicContact OD1-CG 3.41Å; D267-H270 PolarHBondContact OD1-N 3.04Å; D267-H270 IonicContact OD1-ND1 2.79Å; D267-H270 PolarHBondContact OD1-ND1 3.49Å; D267-H270 IonicContact OD2-CE1 2.99Å; D267-H270 PolarHBondContact OD2-CE1 3.03Å; D267-H270 IonicContact OD2-ND1 2.64Å; D267-H270 PolarHBondContact OD2-ND1 2.83Å |
| 268 | E | 87.8 | Confident | 84 | Confident | 164 Ų | 164 | 86.2 Ų | 86.2 | 77% | 0.766 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -6.6 | -179 | -61.5 | -176.8 | 173 | 0 | 0 | 113.8 | Y271 | E268-Y271 VanDerWaalsContact O-CZ 3.31Å; E268-Y271 PolarHBondContact O-OH 3.16Å |
| 269 | D | 92.1 | Very high | 83.6 | Confident | 85 Ų | 85 | 84.4 Ų | 84.4 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -3.9 | -175.9 | -74.9 | -39.8 | 0 | 0 | 0 | 113.4 | S233 I234 D267 Y271 | S233-D269 CarbonylContact C-O 3.58Å; S233-D269 VanDerWaalsContact CA-O 3.26Å; S233-D269 WeakPolarHBondContact CA-O 3.43Å; I234-D269 PolarHBondContact N-O 2.99Å; D267-D269 PolarHBondContact O-N 3.38Å; D267-D269 WeakPolarHBondContact OD1-CA 3.45Å; D267-D269 PolarHBondContact OD1-N 3.49Å; D269-Y271 VanDerWaalsContact C-CE2 3.49Å |
| 270 | H | 93.6 | Very high | 83.4 | Confident | 40 Ų | 40 | 82.7 Ų | 82.7 | 19% | 0.185 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131 | 177.5 | -70.9 | 77.3 | 0 | 0 | 0 | 113 | S264 T265 I266 D267 | S264-H270 VanDerWaalsContact CA-O 3.28Å; S264-H270 WeakPolarHBondContact CA-O 3.23Å; T265-H270 PolarHBondContact N-O 3.28Å; T265-H270 VanDerWaalsContact OG1-CB 3.3Å; T265-H270 WeakPolarHBondContact OG1-CB 3.33Å; T265-H270 PolarHBondContact OG1-O 3.42Å; I266-H270 HydrophobicContact CG1-CB 3.84Å; D267-H270 IonicContact OD1-CE1 3.38Å; D267-H270 IonicContact OD1-CG 3.41Å; D267-H270 PolarHBondContact OD1-N 3.04Å; D267-H270 IonicContact OD1-ND1 2.79Å; D267-H270 PolarHBondContact OD1-ND1 3.49Å; D267-H270 IonicContact OD2-CE1 2.99Å; D267-H270 PolarHBondContact OD2-CE1 3.03Å; D267-H270 IonicContact OD2-ND1 2.64Å; D267-H270 PolarHBondContact OD2-ND1 2.83Å |
| 271 | Y | 94.8 | Very high | 83.1 | Confident | 31 Ų | 31 | 85.1 Ų | 85.1 | 12% | 0.122 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144 | -171 | -61.7 | -91.4 | 0 | 0 | 0 | 112.8 | G231 I232 I234 V253 I262 F263 E268 D269 | G231-Y271 CarbonylContact C-O 3.53Å; G231-Y271 VanDerWaalsContact CA-O 3.26Å; G231-Y271 WeakPolarHBondContact CA-O 3.23Å; I232-Y271 PolarHBondContact N-O 3.43Å; I232-Y271 PolarHBondContact O-N 3.29Å; I234-Y271 HydrophobicContact CD1-CE2 3.68Å; I234-Y271 HydrophobicContact CG1-CD2 4.21Å; I234-Y271 HydrophobicContact CG1-CE2 3.67Å; V253-Y271 HydrophobicContact CG1-CD1 3.68Å; V253-Y271 HydrophobicContact CG1-CD2 3.99Å; V253-Y271 HydrophobicContact CG1-CE1 3.27Å; V253-Y271 HydrophobicContact CG1-CE2 3.67Å; V253-Y271 HydrophobicContact CG1-CG 4.01Å; I262-Y271 HydrophobicContact CD1-CD1 3.8Å; I262-Y271 HydrophobicContact CD1-CG 4.24Å; I262-Y271 HydrophobicContact CG1-CD1 4.34Å; F263-Y271 WeakPolarHBondContact O-CA 3.38Å; E268-Y271 VanDerWaalsContact O-CZ 3.31Å; E268-Y271 PolarHBondContact O-OH 3.16Å; D269-Y271 VanDerWaalsContact C-CE2 3.49Å |
| 272 | K | 93.6 | Very high | 82.7 | Confident | 76 Ų | 76 | 86.4 Ų | 86.4 | 33% | 0.33 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 154.7 | 174.1 | -162.7 | 169.4 | -168.2 | 167.3 | 0 | 110.8 | P229 I262 F263 T265 | P229-K272 PolarHBondContact O-NZ 3.46Å; I262-K272 CarbonylContact C-O 3.59Å; I262-K272 WeakPolarHBondContact CA-O 3.34Å; I262-K272 VanDerWaalsContact CB-O 3.28Å; I262-K272 WeakPolarHBondContact CB-O 3.48Å; F263-K272 HydrophobicContact CE1-CB 4.16Å; F263-K272 HydrophobicContact CE2-CB 4.37Å; F263-K272 HydrophobicContact CZ-CB 3.96Å; F263-K272 HydrophobicContact CZ-CD 4.31Å; F263-K272 HydrophobicContact CZ-CG 4.38Å; F263-K272 PolarHBondContact N-O 3.33Å; F263-K272 PolarHBondContact O-N 2.57Å; T265-K272 HydrophobicContact CG2-CB 3.61Å; T265-K272 HydrophobicContact CG2-CD 4.46Å |
| 273 | S | 92.2 | Very high | 82 | Confident | 10 Ų | 10 | 91.6 Ų | 91.6 | 7% | 0.07 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 143.3 | 178 | -165.5 | 0 | 0 | 0 | 0 | 111.6 | K224 H261 F263 D275 | K224-S273 VanDerWaalsContact CE-OG 3.28Å; K224-S273 WeakPolarHBondContact CE-OG 3.26Å; K224-S273 WeakPolarHBondContact CG-OG 3.4Å; H261-S273 WeakPolarHBondContact O-CA 3.45Å; H261-S273 PolarHBondContact O-OG 3.26Å; H261-S273 VanDerWaalsContact O-OG 3.13Å; F263-S273 WeakPolarHBondContact CE1-O 3.27Å; S273-D275 VanDerWaalsContact C-N 3.26Å |
| 274 | T | 87.8 | Confident | 81.3 | Confident | 67 Ų | 67 | 91.5 Ų | 91.5 | 41% | 0.411 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -74 | -17.3 | 175.1 | -45.8 | 0 | 0 | 0 | 0 | 112.7 | G260 H261 I262 N276 | G260-T274 WeakPolarHBondContact O-CB 3.48Å; G260-T274 PolarHBondContact O-OG1 3.37Å; H261-T274 VanDerWaalsContact C-OG1 3.28Å; H261-T274 PolarHBondContact O-N 3.23Å; H261-T274 PolarHBondContact O-OG1 3.01Å; I262-T274 PolarHBondContact N-OG1 2.69Å; T274-N276 PolarHBondContact O-N 2.85Å |
| 275 | D | 77.5 | Confident | 80.5 | Confident | 97 Ų | 97 | 93.1 Ų | 93.1 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -72.6 | 110 | 170.4 | -70.1 | -29.9 | 0 | 0 | 0 | 108 | K224 S273 D277 | K224-D275 WeakPolarHBondContact CE-OD2 3.49Å; K224-D275 IonicContact NZ-OD2 3.41Å; K224-D275 PolarHBondContact NZ-OD2 3.5Å; S273-D275 VanDerWaalsContact C-N 3.26Å; D275-D277 PolarHBondContact O-N 3.01Å |
| 276 | N | 55.8 | Low | 79.8 | Confident | 145 Ų | 145 | 96.8 Ų | 96.8 | 78% | 0.775 | 50% | 0.501 | S | S | * | . | trans | -63.7 | 115 | 175.9 | -74.4 | -25.3 | 0 | 0 | 0 | 109.8 | T274 D278 | T274-N276 PolarHBondContact O-N 2.85Å; N276-D278 PolarHBondContact O-N 3.15Å | ||
| 277 | D | 48.2 | Very low | 79.2 | Confident | 146 Ų | 146 | 96.9 Ų | 96.9 | 78% | 0.781 | 50% | 0.502 | S | S | * | . | trans | -74.1 | 97.7 | 157.9 | -76.6 | -35.7 | 0 | 0 | 0 | 107.8 | D275 | D275-D277 PolarHBondContact O-N 3.01Š| ||
| 278 | D | 37 | Very low | 78.2 | Confident | 229 Ų | 229 | 99.1 Ų | 99.1 | 100% | 1.225 | 51% | 0.513 | S | S | * | . | trans | -93.3 | 0 | 152.9 | -85 | -34.8 | 0 | 0 | 0 | 109.3 | N276 | N276-D278 PolarHBondContact O-N 3.15Š|
Retrieved 278 of 278 residues in 46.5 ms
(Link to these results)