| 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 | 35.6 | Very low | 32.9 | Very low | 234 Ų | 234 | 157 Ų | 157 | 100% | 1.153 | 85% | 0.852 | S | S | * | * | 0 | 119.1 | 0 | -93.6 | -178.4 | -173 | 0 | 0 | 108.1 | |||||
| 2 | L | 36.6 | Very low | 32.9 | Very low | 157 Ų | 157 | 162.8 Ų | 162.8 | 82% | 0.822 | 85% | 0.852 | S | S | * | * | trans | 56.1 | 106.1 | 168.5 | -64.6 | 120.6 | 0 | 0 | 0 | 116.4 | ||||
| 3 | Q | 34.8 | Very low | 32.9 | Very low | 176 Ų | 176 | 163.7 Ų | 163.7 | 82% | 0.822 | 86% | 0.857 | S | S | * | * | 53.3 | 119.9 | 50 | -75.2 | -157.6 | -5.3 | 0 | 0 | 116.7 | |||||
| 4 | F | 29 | Very low | 32.9 | Very low | 178 Ų | 178 | 167.5 Ų | 167.5 | 78% | 0.781 | 85% | 0.854 | S | S | * | * | trans | 147.6 | 105.3 | 142.1 | -92.2 | -78 | 0 | 0 | 0 | 108.3 | ||||
| 5 | V | 31.8 | Very low | 33 | Very low | 118 Ų | 118 | 164.7 Ų | 164.7 | 72% | 0.715 | 85% | 0.852 | S | S | * | * | 50.5 | 108.8 | 60.3 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 6 | R | 32 | Very low | 33.2 | Very low | 237 Ų | 237 | 162.9 Ų | 162.9 | 89% | 0.894 | 85% | 0.851 | S | S | * | * | 176.5 | 140.6 | 101.3 | -130.7 | 158.3 | -177.6 | -168.2 | -0.2 | 113.7 | |||||
| 7 | A | 34 | Very low | 33.1 | Very low | 103 Ų | 103 | 157.7 Ų | 157.7 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | trans | -74.4 | 164.2 | 166 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 8 | G | 30 | Very low | 33.2 | Very low | 78 Ų | 78 | 154.9 Ų | 154.9 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | -175 | 94 | 167 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 9 | A | 34.6 | Very low | 33.3 | Very low | 102 Ų | 102 | 157.3 Ų | 157.3 | 84% | 0.843 | 85% | 0.846 | S | S | * | * | trans | -70.2 | 146.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 10 | R | 31.6 | Very low | 33.8 | Very low | 258 Ų | 258 | 152.9 Ų | 152.9 | 97% | 0.974 | 84% | 0.839 | S | S | * | * | trans | -155.4 | 147.2 | 157.3 | -110.4 | 174.1 | -177.2 | -173.4 | -0.6 | 111.6 | ||||
| 11 | A | 32.3 | Very low | 34 | Very low | 86 Ų | 86 | 152.1 Ų | 152.1 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | trans | -93.1 | 154.5 | -158.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 12 | W | 32.5 | Very low | 34.2 | Very low | 226 Ų | 226 | 146.3 Ų | 146.3 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | 23.4 | 120 | 142.5 | -66.6 | 89.3 | 0 | 0 | 0 | 120.6 | ||||
| 13 | L | 33.4 | Very low | 34.5 | Very low | 175 Ų | 175 | 143 Ų | 143 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -142.3 | 122.8 | 141.3 | -86.5 | 167.4 | 0 | 0 | 0 | 109.7 | ||||
| 14 | R | 32 | Very low | 34.8 | Very low | 217 Ų | 217 | 140.6 Ų | 140.6 | 82% | 0.819 | 80% | 0.798 | S | S | * | * | trans | -76 | 149.1 | 168.5 | -98.3 | 179.3 | 166.9 | 179 | -3.4 | 109.9 | ||||
| 15 | P | 34.9 | Very low | 35.1 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -108 | 139.1 | 146.3 | 18.3 | -0.4 | 0 | 0 | 0 | 111.4 | ||||
| 16 | T | 36.6 | Very low | 35.5 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -89.8 | 147.5 | 175.7 | 41.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 17 | G | 31.8 | Very low | 35.8 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | 93.7 | 145.8 | 163 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 18 | S | 33.8 | Very low | 36 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | cis | -172.1 | 138.2 | -4.5 | 44.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 19 | Q | 36.1 | Very low | 36.4 | Very low | 200 Ų | 200 | 132.8 Ų | 132.8 | 94% | 0.935 | 77% | 0.766 | S | S | * | * | trans | 57.1 | 129.1 | 145.5 | -60.5 | -171.1 | -2.9 | 0 | 0 | 121.1 | ||||
| 20 | G | 43 | Very low | 36.5 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 114.2 | 124.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 21 | L | 37.9 | Very low | 36.7 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | trans | 120.7 | 31.1 | 171.5 | -61 | 175.5 | 0 | 0 | 0 | 115.5 | S23 L24 | L21-S23 PolarHBondContact O-N 3.48Å; L21-L24 HydrophobicContact CD2-CD1 4.3Å | ||
| 22 | S | 40.3 | Very low | 37 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 35.4 | 165.8 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 23 | S | 43.1 | Very low | 37.1 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | 0.7 | 173.7 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | L21 | L21-S23 PolarHBondContact O-N 3.48Š|
| 24 | L | 40.3 | Very low | 37.1 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -109.8 | -7.7 | 172.4 | -74.5 | 171.4 | 0 | 0 | 0 | 113.1 | L21 | L21-L24 HydrophobicContact CD2-CD1 4.3Š|
| 25 | A | 35.8 | Very low | 37.4 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 58% | 0.579 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -89.9 | -18.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 26 | E | 39.4 | Very low | 37.9 | Very low | 155 Ų | 155 | 127 Ų | 127 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -85.6 | -14.7 | 178.9 | -104.3 | 168.6 | 156.9 | 0 | 0 | 113.6 | ||
| 27 | E | 38.8 | Very low | 38 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -96 | -11.3 | 178.4 | -151 | 135.5 | -156.5 | 0 | 0 | 112.9 | ||
| 28 | A | 37.5 | Very low | 38.3 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -89.1 | -6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 29 | A | 37.9 | Very low | 38.4 | Very low | 66 Ų | 66 | 131 Ų | 131 | 55% | 0.545 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -107.8 | 10.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 30 | R | 37.3 | Very low | 38.8 | Very low | 236 Ų | 236 | 126.6 Ų | 126.6 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -120.6 | 24.4 | 180 | -86.1 | -174.9 | 178.3 | 164.4 | 2.4 | 115.4 | ||
| 31 | A | 35.8 | Very low | 38.8 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | -122.7 | 32.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 32 | T | 39 | Very low | 39.2 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -106.2 | 74 | 163 | 39.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 33 | E | 34.6 | Very low | 39.8 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | trans | -73 | 124.2 | 159.9 | -69.3 | -176.2 | 163.2 | 0 | 0 | 108.4 | ||||
| 34 | N | 32.8 | Very low | 41 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 55.9 | 97.3 | 158.9 | -70.6 | -19 | 0 | 0 | 0 | 120 | E36 | N34-E36 PolarHBondContact O-N 2.95Å; N34-E36 VanDerWaalsContact O-N 3.17Å | ||
| 35 | P | 39.1 | Very low | 42.8 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 89% | 0.89 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -84.1 | 56.2 | 151.1 | 37.6 | -30.1 | 0 | 0 | 0 | 109.8 | ||
| 36 | E | 45.1 | Very low | 45.2 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -137.4 | 82.7 | 168.4 | -92.1 | -170.4 | 163.5 | 0 | 0 | 107.6 | N34 | N34-E36 PolarHBondContact O-N 2.95Å; N34-E36 VanDerWaalsContact O-N 3.17Å | ||
| 37 | Q | 38.2 | Very low | 47.5 | Very low | 185 Ų | 185 | 131.1 Ų | 131.1 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | 170.2 | 55.4 | 151.4 | -91.8 | 163.5 | 30.9 | 0 | 0 | 109.4 | A39 | Q37-A39 PolarHBondContact O-N 3.05Å; Q37-A39 VanDerWaalsContact O-N 3.15Å | ||
| 38 | V | 39 | Very low | 50 | Low | 149 Ų | 149 | 128.8 Ų | 128.8 | 90% | 0.903 | 74% | 0.737 | S | S | * | * | trans | -81.4 | 72.9 | 140.6 | -171.8 | 0 | 0 | 0 | 0 | 104.3 | S40 | V38-S40 PolarHBondContact O-N 3.41Å; V38-S40 VanDerWaalsContact O-N 3.15Å | ||
| 39 | A | 35.4 | Very low | 52.5 | Low | 70 Ų | 70 | 128.8 Ų | 128.8 | 58% | 0.579 | 72% | 0.718 | S | S | * | * | trans | -51.8 | 124 | 163.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | Q37 E41 | Q37-A39 PolarHBondContact O-N 3.05Å; Q37-A39 VanDerWaalsContact O-N 3.15Å; A39-E41 PolarHBondContact O-N 2.74Å | ||
| 40 | S | 43.8 | Very low | 55.1 | Low | 107 Ų | 107 | 133.6 Ų | 133.6 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | -30.5 | 107.7 | 167.4 | 50.5 | 0 | 0 | 0 | 0 | 110 | V38 G42 | V38-S40 PolarHBondContact O-N 3.41Å; V38-S40 VanDerWaalsContact O-N 3.15Å; S40-G42 PolarHBondContact O-N 3.05Å | ||
| 41 | E | 44.3 | Very low | 57.7 | Low | 194 Ų | 194 | 124.2 Ų | 124.2 | 91% | 0.907 | 70% | 0.695 | S | S | * | * | trans | -64.4 | 82.9 | 153.6 | -74.2 | -162 | 167.7 | 0 | 0 | 104.6 | A39 L43 | A39-E41 PolarHBondContact O-N 2.74Å; E41-L43 PolarHBondContact O-N 2.85Å | ||
| 42 | G | 45.6 | Very low | 60.4 | Low | 54 Ų | 54 | 126.6 Ų | 126.6 | 56% | 0.557 | 69% | 0.69 | S | S | * | * | trans | -54 | 134 | 171.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | S40 P44 | S40-G42 PolarHBondContact O-N 3.05Å; G42-P44 VanDerWaalsContact O-N 3.15Å | ||
| 43 | L | 52.1 | Low | 63 | Low | 163 Ų | 163 | 126 Ų | 126 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | trans | -42 | 127.3 | 166 | -75.6 | 155.3 | 0 | 0 | 0 | 107.7 | E41 E45 | E41-L43 PolarHBondContact O-N 2.85Å; L43-E45 PolarHBondContact O-N 3.45Å | ||
| 44 | P | 68.4 | Low | 65.8 | Low | 116 Ų | 116 | 123.1 Ų | 123.1 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -54 | 129.9 | -177 | 21.1 | -32.1 | 0 | 0 | 0 | 108.8 | G42 | G42-P44 VanDerWaalsContact O-N 3.15Š|
| 45 | E | 78.6 | Confident | 68.7 | Low | 176 Ų | 176 | 119.1 Ų | 119.1 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 126.3 | -177.8 | -69.5 | -174.5 | 168.1 | 0 | 0 | 109.4 | L43 V47 | L43-E45 PolarHBondContact O-N 3.45Å; E45-V47 PolarHBondContact O-N 3.4Å |
| 46 | P | 86.2 | Confident | 71.3 | Confident | 85 Ų | 85 | 114.3 Ų | 114.3 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 131.4 | -177.6 | 25.7 | -33.2 | 0 | 0 | 0 | 109.8 | L48 | P46-L48 PolarHBondContact O-N 3.02Š|
| 47 | V | 88.3 | Confident | 73.7 | Confident | 64 Ų | 64 | 114.2 Ų | 114.2 | 39% | 0.388 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.7 | 97.9 | 177.9 | -178 | 0 | 0 | 0 | 0 | 108.8 | E45 V77 G78 L79 | E45-V47 PolarHBondContact O-N 3.4Å; V47-V77 HydrophobicContact CG2-CG1 4.23Å; V47-V77 PolarHBondContact N-O 2.71Å; V47-G78 CarbonylContact O-C 3.56Å; V47-G78 VanDerWaalsContact O-CA 3.24Å; V47-G78 WeakPolarHBondContact O-CA 3.47Å; V47-L79 PolarHBondContact O-N 2.97Å |
| 48 | L | 91.7 | Very high | 76.4 | Confident | 122 Ų | 122 | 113.2 Ų | 113.2 | 64% | 0.639 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99 | 119 | 177.7 | -61.4 | -178.8 | 0 | 0 | 0 | 110.6 | P46 L79 | P46-L48 PolarHBondContact O-N 3.02Å; L48-L79 WeakPolarHBondContact CA-O 3.37Å; L48-L79 HydrophobicContact CD2-CB 4.02Å |
| 49 | R | 89.4 | Confident | 79 | Confident | 88 Ų | 88 | 110 Ų | 110 | 33% | 0.332 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.2 | 174.6 | -165.2 | -173.3 | -179.1 | -167 | 4.4 | 111.3 | E52 L79 A80 D81 | R49-E52 IonicContact CZ-OE1 2.85Å; R49-E52 IonicContact NE-OE1 3.87Å; R49-E52 IonicContact NH2-OE1 3.83Å; R49-E52 PolarHBondContact NH2-OE1 3.06Å; R49-L79 PolarHBondContact N-O 3.32Å; R49-A80 HydrophobicContact CB-CB 4.14Å; R49-D81 PolarHBondContact O-N 3.34Å |
| 50 | K | 92.5 | Very high | 81.9 | Confident | 166 Ų | 166 | 117.2 Ų | 117.2 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | trans | -93.5 | 156.3 | 172.9 | -63.4 | -177.7 | -178.7 | 177.3 | 0 | 111.1 | E52 | K50-E52 PolarHBondContact O-N 3.25Š| ||
| 51 | V | 92.8 | Very high | 84.3 | Confident | 40 Ų | 40 | 114.5 Ų | 114.5 | 24% | 0.242 | 60% | 0.597 | C | S | . | * | trans | -70.7 | 124.4 | 173.2 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | L53 V55 P61 D81 H83 | V51-L53 HydrophobicContact CG1-CB 4.49Å; V51-L53 WeakPolarHBondContact CG1-O 3.36Å; V51-V55 HydrophobicContact CB-CG2 4.24Å; V51-V55 HydrophobicContact CG1-CG2 3.91Å; V51-P61 HydrophobicContact CG2-CB 3.99Å; V51-D81 HydrophobicContact CG2-CB 3.81Å; V51-D81 WeakPolarHBondContact CG2-O 3.47Å; V51-H83 HydrophobicContact CG1-CB 4.15Å | ||
| 52 | E | 92.1 | Very high | 86.7 | Confident | 142 Ų | 142 | 107.4 Ų | 107.4 | 66% | 0.664 | 57% | 0.567 | S | S | * | * | trans | -78 | -32.8 | 179 | -66.5 | 160.5 | -142.5 | 0 | 0 | 112.6 | R49 K50 | R49-E52 IonicContact CZ-OE1 2.85Å; R49-E52 IonicContact NE-OE1 3.87Å; R49-E52 IonicContact NH2-OE1 3.83Å; R49-E52 PolarHBondContact NH2-OE1 3.06Å; K50-E52 PolarHBondContact O-N 3.25Å | ||
| 53 | L | 92.2 | Very high | 89.1 | Confident | 120 Ų | 120 | 110.6 Ų | 110.6 | 63% | 0.628 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -84 | 149 | -178.2 | -64.9 | 176.7 | 0 | 0 | 0 | 111.8 | V51 V55 | V51-L53 HydrophobicContact CG1-CB 4.49Å; V51-L53 WeakPolarHBondContact CG1-O 3.36Å; L53-V55 PolarHBondContact O-N 3.33Å |
| 54 | P | 94.1 | Very high | 91.1 | Very high | 118 Ų | 118 | 103.4 Ų | 103.4 | 77% | 0.766 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 123.5 | 178.3 | 26.9 | -34.2 | 0 | 0 | 0 | 110.8 | ||
| 55 | V | 94.1 | Very high | 92.4 | Very high | 47 Ų | 47 | 104.4 Ų | 104.4 | 29% | 0.285 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -88 | 140.9 | 177.2 | -179 | 0 | 0 | 0 | 0 | 109.7 | V51 L53 R59 P84 | V51-V55 HydrophobicContact CB-CG2 4.24Å; V51-V55 HydrophobicContact CG1-CG2 3.91Å; L53-V55 PolarHBondContact O-N 3.33Å; V55-R59 WeakPolarHBondContact CG1-O 3.38Å; V55-P84 HydrophobicContact CG1-CG 3.68Å |
| 56 | P | 93.7 | Very high | 93.1 | Very high | 37 Ų | 37 | 96.3 Ų | 96.3 | 24% | 0.24 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 138.1 | 175.5 | -23.4 | 33.1 | 0 | 0 | 0 | 112.7 | H58 R59 | P56-H58 PolarHBondContact O-N 3.11Å; P56-R59 HydrophobicContact CB-CG 4.44Å; P56-R59 PolarHBondContact O-N 2.87Å |
| 57 | T | 95.1 | Very high | 93.4 | Very high | 155 Ų | 155 | 93.2 Ų | 93.2 | 95% | 0.951 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.1 | -173.9 | -43.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 58 | H | 94.9 | Very high | 93.6 | Very high | 164 Ų | 164 | 90.3 Ų | 90.3 | 76% | 0.759 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -6.1 | -177.9 | 65.9 | -82.6 | 0 | 0 | 0 | 113.7 | P56 | P56-H58 PolarHBondContact O-N 3.11Š|
| 59 | R | 94.9 | Very high | 93.6 | Very high | 81 Ų | 81 | 84.5 Ų | 84.5 | 31% | 0.306 | 41% | 0.413 | S | S | . | . | trans | -118.9 | 140.6 | -178.8 | -53.8 | -164.6 | 73.6 | -169.1 | 2.4 | 110.4 | V55 P56 P84 D85 A88 | V55-R59 WeakPolarHBondContact CG1-O 3.38Å; P56-R59 HydrophobicContact CB-CG 4.44Å; P56-R59 PolarHBondContact O-N 2.87Å; R59-P84 HydrophobicContact CB-CB 4.31Å; R59-P84 HydrophobicContact CB-CG 3.94Å; R59-P84 PolarHBondContact NH1-O 3.27Å; R59-D85 IonicContact CZ-OD1 2.99Å; R59-D85 IonicContact NH1-OD1 3.11Å; R59-D85 PolarHBondContact NH1-OD1 2.9Å; R59-A88 PolarHBondContact NH2-O 3Å | ||
| 60 | R | 94.3 | Very high | 93.6 | Very high | 222 Ų | 222 | 85.5 Ų | 85.5 | 84% | 0.838 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -97.4 | 149.5 | 171.3 | -65 | -177.4 | -177.1 | 176.3 | 0.5 | 109.9 | ||
| 61 | P | 95.2 | Very high | 93.4 | Very high | 50 Ų | 50 | 78.2 Ų | 78.2 | 33% | 0.325 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 154.5 | 172.4 | 29 | -34.7 | 0 | 0 | 0 | 111.1 | V51 D81 L82 | V51-P61 HydrophobicContact CG2-CB 3.99Å; P61-D81 HydrophobicContact CB-CB 4.2Å; P61-D81 HydrophobicContact CG-CB 4.44Å; P61-L82 WeakPolarHBondContact CA-O 3.3Å; P61-L82 VanDerWaalsContact CB-O 3.3Å; P61-L82 WeakPolarHBondContact CB-O 3.35Å |
| 62 | V | 95.3 | Very high | 93.2 | Very high | 46 Ų | 46 | 79.8 Ų | 79.8 | 28% | 0.279 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 143 | 174.3 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | L82 A88 L182 | V62-L82 PolarHBondContact N-O 2.91Å; V62-L82 WeakPolarHBondContact O-CA 3.32Å; V62-L82 VanDerWaalsContact O-CB 3.32Å; V62-L82 WeakPolarHBondContact O-CB 3.45Å; V62-L82 PolarHBondContact O-N 2.99Å; V62-A88 HydrophobicContact CG2-CB 3.69Å; V62-L182 HydrophobicContact CG1-CD2 3.83Å |
| 63 | Q | 94.9 | Very high | 93 | Very high | 120 Ų | 120 | 80.7 Ų | 80.7 | 56% | 0.561 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 145.8 | -178.9 | -63.9 | -172.4 | -29.8 | 0 | 0 | 110.6 | L79 A80 D81 | Q63-L79 HydrophobicContact CB-CD2 3.95Å; Q63-L79 HydrophobicContact CG-CD2 3.87Å; Q63-A80 WeakPolarHBondContact CA-O 3.38Å; Q63-D81 WeakPolarHBondContact CG-OD1 3.25Å; Q63-D81 PolarHBondContact NE2-OD1 2.89Å |
| 64 | A | 94.5 | Very high | 92.7 | Very high | 13 Ų | 13 | 79.8 Ų | 79.8 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 148 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A80 L82 L182 I189 | A64-A80 PolarHBondContact N-O 3.12Å; A64-A80 PolarHBondContact O-N 3.2Å; A64-L82 HydrophobicContact CB-CD1 3.83Å; A64-L82 HydrophobicContact CB-CG 4.46Å; A64-L182 HydrophobicContact CB-CD1 4.39Å; A64-I189 HydrophobicContact CB-CD1 3.58Å; A64-I189 HydrophobicContact CB-CG1 4.42Å |
| 65 | W | 95.1 | Very high | 92.2 | Very high | 137 Ų | 137 | 77.4 Ų | 77.4 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 140.7 | 176.5 | -65 | 109.5 | 0 | 0 | 0 | 110.7 | R76 | W65-R76 HydrophobicContact CD2-CG 4.25Å; W65-R76 HydrophobicContact CE3-CB 4.17Å; W65-R76 HydrophobicContact CE3-CG 4.12Å; W65-R76 HydrophobicContact CZ3-CB 4.43Å |
| 66 | V | 94.4 | Very high | 92 | Very high | 6 Ų | 6 | 83.7 Ų | 83.7 | 4% | 0.036 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.1 | 169.3 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | V77 G78 A80 I189 D191 | V66-V77 PolarHBondContact O-N 3.31Å; V66-G78 PolarHBondContact N-O 3.05Å; V66-G78 PolarHBondContact O-N 2.83Å; V66-G78 VanDerWaalsContact O-N 3.12Å; V66-A80 HydrophobicContact CG2-CB 3.68Å; V66-I189 WeakPolarHBondContact CA-O 3.43Å; V66-I189 HydrophobicContact CG2-CG2 4.12Å; V66-D191 HydrophobicContact CG1-CB 3.98Å |
| 67 | E | 92.9 | Very high | 91.8 | Very high | 19 Ų | 19 | 84 Ų | 84 | 9% | 0.089 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 167.7 | 177.1 | -25.3 | -175.9 | -179.5 | 0 | 0 | 110.5 | E75 H188 I189 M190 D191 R210 W212 | E67-E75 VanDerWaalsContact CA-O 3.24Å; E67-E75 WeakPolarHBondContact CA-O 3.28Å; E67-E75 WeakPolarHBondContact CB-O 3.47Å; E67-E75 WeakPolarHBondContact CG-O 3.41Å; E67-H188 IonicContact OE1-CE1 3.4Å; E67-H188 IonicContact OE1-CG 2.84Å; E67-H188 IonicContact OE1-ND1 3.81Å; E67-H188 PolarHBondContact OE1-ND1 2.92Å; E67-I189 PolarHBondContact N-O 2.58Å; E67-M190 HydrophobicContact CB-CE 3.54Å; E67-M190 HydrophobicContact CB-SD 3.82Å; E67-M190 HydrophobicContact CG-CE 3.62Å; E67-M190 WeakPolarHBondContact O-CA 3.46Å; E67-M190 WeakPolarHBondContact OE2-CE 3.32Å; E67-D191 PolarHBondContact O-N 3.38Å; E67-R210 IonicContact OE2-CZ 3.6Å; E67-R210 IonicContact OE2-NH1 3.81Å; E67-R210 PolarHBondContact OE2-NH1 3.11Å; E67-W212 WeakPolarHBondContact OE2-CZ2 3.34Å |
| 68 | S | 91.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 76.9 Ų | 76.9 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | trans | -125.5 | 152 | 172.6 | -165.9 | 0 | 0 | 0 | 0 | 111.1 | Q74 D191 R210 | S68-Q74 PolarHBondContact N-O 3.24Å; S68-D191 PolarHBondContact OG-OD1 3.26Å; S68-D191 VanDerWaalsContact OG-OD1 3.09Å; S68-R210 PolarHBondContact O-NH1 3.34Å; S68-R210 VanDerWaalsContact O-NH1 3.12Å; S68-R210 PolarHBondContact O-NH2 2.97Å | ||
| 69 | L | 90.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -91.4 | 0.7 | 177.6 | -59.8 | -175.2 | 0 | 0 | 0 | 113.8 | M190 L193 L195 Y202 L206 W212 | L69-M190 HydrophobicContact CD2-SD 3.76Å; L69-M190 HydrophobicContact CG-SD 4.1Å; L69-L193 HydrophobicContact CD1-CB 4.46Å; L69-L193 HydrophobicContact CD1-CD2 3.73Å; L69-L195 HydrophobicContact CB-CD2 3.8Å; L69-L195 HydrophobicContact CD1-CD2 4.12Å; L69-Y202 PolarHBondContact O-OH 2.73Å; L69-L206 HydrophobicContact CD2-CD2 4.16Å; L69-W212 HydrophobicContact CD2-CH2 3.53Å; L69-W212 HydrophobicContact CD2-CZ3 4.12Å |
| 70 | R | 89.6 | Confident | 91.7 | Very high | 109 Ų | 109 | 67.3 Ų | 67.3 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -72.9 | -28.3 | -173.9 | -64.4 | -178.7 | -168.3 | -94.3 | -5.3 | 113.9 | E194 P196 Y202 | R70-E194 IonicContact CZ-OE2 2.88Å; R70-E194 IonicContact NH1-OE2 3.15Å; R70-E194 PolarHBondContact NH1-OE2 3.43Å; R70-E194 VanDerWaalsContact NH2-CD 3.34Å; R70-E194 IonicContact NH2-OE1 3.54Å; R70-E194 IonicContact NH2-OE2 2.8Å; R70-E194 PolarHBondContact NH2-OE2 3.14Å; R70-P196 WeakPolarHBondContact O-CG 3.21Å; R70-Y202 PolarHBondContact O-OH 3.46Å |
| 71 | G | 88.9 | Confident | 91.7 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | trans | -143.2 | 153.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E73 R210 | G71-E73 PolarHBondContact O-N 2.91Å; G71-R210 PolarHBondContact O-NH2 3.08Å | ||
| 72 | F | 88.6 | Confident | 91.7 | Very high | 72 Ų | 72 | 57 Ų | 57 | 32% | 0.316 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -62 | -45.6 | -179 | -66.9 | -81 | 0 | 0 | 0 | 112.1 | Y202 E205 L206 Y209 R210 | F72-Y202 HydrophobicContact CD2-CE2 4.22Å; F72-Y202 HydrophobicContact CE1-CD2 4.33Å; F72-Y202 HydrophobicContact CE1-CE2 4.1Å; F72-Y202 AromaticContact CE2-CD2 3.98Å; F72-Y202 HydrophobicContact CE2-CD2 3.98Å; F72-Y202 AromaticContact CE2-CE2 3.43Å; F72-Y202 HydrophobicContact CE2-CE2 3.43Å; F72-Y202 VanDerWaalsContact CE2-CE2 3.43Å; F72-Y202 AromaticContact CZ-CD2 3.53Å; F72-Y202 HydrophobicContact CZ-CD2 3.53Å; F72-Y202 AromaticContact CZ-CE2 3.36Å; F72-Y202 HydrophobicContact CZ-CE2 3.36Å; F72-E205 HydrophobicContact CE1-CB 4.16Å; F72-L206 HydrophobicContact CD1-CB 4.13Å; F72-L206 HydrophobicContact CD1-CG 4.49Å; F72-L206 HydrophobicContact CE1-CB 4.03Å; F72-Y209 HydrophobicContact CB-CD1 4.46Å; F72-R210 PolarHBondContact O-NE 3.4Å |
| 73 | E | 87.8 | Confident | 91.7 | Very high | 162 Ų | 162 | 56.3 Ų | 56.3 | 76% | 0.757 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -86.2 | -7.5 | -173.3 | -57.7 | 179.4 | 170 | 0 | 0 | 113.8 | G71 E75 | G71-E73 PolarHBondContact O-N 2.91Å; E73-E75 PolarHBondContact O-N 3.13Å |
| 74 | Q | 86.3 | Confident | 91.8 | Very high | 100 Ų | 100 | 50.7 Ų | 50.7 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | trans | -81.2 | 65.4 | -176.5 | -66.5 | -176.3 | 8.8 | 0 | 0 | 112.1 | S68 V77 R210 | S68-Q74 PolarHBondContact N-O 3.24Å; Q74-V77 HydrophobicContact CB-CG2 4.26Å; Q74-R210 PolarHBondContact O-NH2 3.25Å | ||
| 75 | E | 84.4 | Confident | 91.8 | Very high | 69 Ų | 69 | 52.5 Ų | 52.5 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | trans | -85.4 | -38.6 | -179 | -66.7 | -177.1 | -176.1 | 0 | 0 | 113.2 | E67 E73 | E67-E75 VanDerWaalsContact CA-O 3.24Å; E67-E75 WeakPolarHBondContact CA-O 3.28Å; E67-E75 WeakPolarHBondContact CB-O 3.47Å; E67-E75 WeakPolarHBondContact CG-O 3.41Å; E73-E75 PolarHBondContact O-N 3.13Å | ||
| 76 | R | 88.7 | Confident | 91.7 | Very high | 179 Ų | 179 | 48 Ų | 48 | 68% | 0.675 | 23% | 0.227 | S | C | * | . | trans | -116.6 | 68.3 | -171.1 | -59.6 | -178.6 | -169.1 | 175.6 | 2.2 | 111.3 | W65 | W65-R76 HydrophobicContact CD2-CG 4.25Å; W65-R76 HydrophobicContact CE3-CB 4.17Å; W65-R76 HydrophobicContact CE3-CG 4.12Å; W65-R76 HydrophobicContact CZ3-CB 4.43Å | ||
| 77 | V | 90.7 | Very high | 91.7 | Very high | 43 Ų | 43 | 49.6 Ų | 49.6 | 26% | 0.261 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -79.5 | -28 | -179.3 | -176.8 | 0 | 0 | 0 | 0 | 111.3 | V47 V66 Q74 | V47-V77 HydrophobicContact CG2-CG1 4.23Å; V47-V77 PolarHBondContact N-O 2.71Å; V66-V77 PolarHBondContact O-N 3.31Å; Q74-V77 HydrophobicContact CB-CG2 4.26Å |
| 78 | G | 92.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 49.9 Ų | 49.9 | 6% | 0.062 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | -172.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V47 V66 | V47-G78 CarbonylContact O-C 3.56Å; V47-G78 VanDerWaalsContact O-CA 3.24Å; V47-G78 WeakPolarHBondContact O-CA 3.47Å; V66-G78 PolarHBondContact N-O 3.05Å; V66-G78 PolarHBondContact O-N 2.83Å; V66-G78 VanDerWaalsContact O-N 3.12Å |
| 79 | L | 93.9 | Very high | 92 | Very high | 43 Ų | 43 | 51.1 Ų | 51.1 | 23% | 0.225 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 128.8 | -179.1 | -166.3 | 156.3 | 0 | 0 | 0 | 109.6 | V47 L48 R49 Q63 | V47-L79 PolarHBondContact O-N 2.97Å; L48-L79 WeakPolarHBondContact CA-O 3.37Å; L48-L79 HydrophobicContact CD2-CB 4.02Å; R49-L79 PolarHBondContact N-O 3.32Å; Q63-L79 HydrophobicContact CB-CD2 3.95Å; Q63-L79 HydrophobicContact CG-CD2 3.87Å |
| 80 | A | 95 | Very high | 92.1 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R49 Q63 A64 V66 I189 | R49-A80 HydrophobicContact CB-CB 4.14Å; Q63-A80 WeakPolarHBondContact CA-O 3.38Å; A64-A80 PolarHBondContact N-O 3.12Å; A64-A80 PolarHBondContact O-N 3.2Å; V66-A80 HydrophobicContact CG2-CB 3.68Å; A80-I189 HydrophobicContact CB-CD1 4.44Å |
| 81 | D | 95.4 | Very high | 92.3 | Very high | 42 Ų | 42 | 53.6 Ų | 53.6 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.2 | 168.1 | -64.4 | -33 | 0 | 0 | 0 | 109.7 | R49 V51 P61 Q63 | R49-D81 PolarHBondContact O-N 3.34Å; V51-D81 HydrophobicContact CG2-CB 3.81Å; V51-D81 WeakPolarHBondContact CG2-O 3.47Å; P61-D81 HydrophobicContact CB-CB 4.2Å; P61-D81 HydrophobicContact CG-CB 4.44Å; Q63-D81 WeakPolarHBondContact CG-OD1 3.25Å; Q63-D81 PolarHBondContact NE2-OD1 2.89Å |
| 82 | L | 94.5 | Very high | 92.6 | Very high | 14 Ų | 14 | 58.4 Ų | 58.4 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 141.4 | -177.3 | -59.4 | 179.2 | 0 | 0 | 0 | 111.2 | P61 V62 A64 F87 L182 I189 | P61-L82 WeakPolarHBondContact CA-O 3.3Å; P61-L82 VanDerWaalsContact CB-O 3.3Å; P61-L82 WeakPolarHBondContact CB-O 3.35Å; V62-L82 PolarHBondContact N-O 2.91Å; V62-L82 WeakPolarHBondContact O-CA 3.32Å; V62-L82 VanDerWaalsContact O-CB 3.32Å; V62-L82 WeakPolarHBondContact O-CB 3.45Å; V62-L82 PolarHBondContact O-N 2.99Å; A64-L82 HydrophobicContact CB-CD1 3.83Å; A64-L82 HydrophobicContact CB-CG 4.46Å; L82-F87 HydrophobicContact CB-CB 4.21Å; L82-F87 HydrophobicContact CB-CD2 3.69Å; L82-F87 HydrophobicContact CB-CE2 4.27Å; L82-F87 HydrophobicContact CB-CG 4.04Å; L82-F87 HydrophobicContact CD1-CB 4.28Å; L82-F87 HydrophobicContact CD1-CD1 4.03Å; L82-F87 HydrophobicContact CD1-CD2 4.2Å; L82-F87 HydrophobicContact CD1-CE1 4.4Å; L82-F87 HydrophobicContact CD1-CG 3.91Å; L82-F87 HydrophobicContact CD2-CD2 4.27Å; L82-F87 HydrophobicContact CD2-CE2 4.02Å; L82-F87 HydrophobicContact CD2-CZ 4.31Å; L82-F87 HydrophobicContact CG-CD2 4.29Å; L82-F87 HydrophobicContact CG-CG 4.48Å; L82-L182 HydrophobicContact CD1-CD2 3.97Å; L82-I189 HydrophobicContact CD1-CD1 3.95Å; L82-I189 HydrophobicContact CD2-CD1 3.77Å; L82-I189 HydrophobicContact CG-CD1 4.25Å |
| 83 | H | 96.2 | Very high | 92.8 | Very high | 31 Ų | 31 | 60.6 Ų | 60.6 | 14% | 0.144 | 31% | 0.311 | C | S | . | . | trans | -67.1 | 126.7 | -179.8 | -168.1 | -77.8 | 0 | 0 | 0 | 111.7 | V51 D85 V86 F87 | V51-H83 HydrophobicContact CG1-CB 4.15Å; H83-D85 VanDerWaalsContact C-N 3.35Å; H83-D85 IonicContact CE1-OD2 3.81Å; H83-D85 PolarHBondContact CE1-OD2 3.15Å; H83-D85 PolarHBondContact ND1-N 3.35Å; H83-D85 VanDerWaalsContact ND1-N 3.13Å; H83-D85 PolarHBondContact O-N 3.19Å; H83-V86 HydrophobicContact CB-CG2 4.5Å; H83-V86 PolarHBondContact O-N 3.43Å; H83-V86 VanDerWaalsContact O-N 3.14Å; H83-F87 PolarHBondContact O-N 3.17Å; H83-F87 VanDerWaalsContact O-N 3.11Å | ||
| 84 | P | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.4 | -29.4 | -171.6 | 26 | -32.8 | 0 | 0 | 0 | 113.4 | V55 R59 V86 A88 | V55-P84 HydrophobicContact CG1-CG 3.68Å; R59-P84 HydrophobicContact CB-CB 4.31Å; R59-P84 HydrophobicContact CB-CG 3.94Å; R59-P84 PolarHBondContact NH1-O 3.27Å; P84-V86 PolarHBondContact O-N 3.15Å; P84-A88 HydrophobicContact CB-CB 4.3Å; P84-A88 CarbonylContact O-C 3.59Å; P84-A88 WeakPolarHBondContact O-CA 3.43Å; P84-A88 VanDerWaalsContact O-CB 3.32Å; P84-A88 WeakPolarHBondContact O-CB 3.31Å; P84-A88 PolarHBondContact O-N 3.44Å |
| 85 | D | 94.7 | Very high | 93.6 | Very high | 52 Ų | 52 | 52 Ų | 52 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -77.6 | -0.4 | 177.9 | -58.4 | -22.7 | 0 | 0 | 0 | 114.4 | R59 H83 T89 K175 | R59-D85 IonicContact CZ-OD1 2.99Å; R59-D85 IonicContact NH1-OD1 3.11Å; R59-D85 PolarHBondContact NH1-OD1 2.9Å; H83-D85 VanDerWaalsContact C-N 3.35Å; H83-D85 IonicContact CE1-OD2 3.81Å; H83-D85 PolarHBondContact CE1-OD2 3.15Å; H83-D85 PolarHBondContact ND1-N 3.35Å; H83-D85 VanDerWaalsContact ND1-N 3.13Å; H83-D85 PolarHBondContact O-N 3.19Å; D85-T89 PolarHBondContact O-OG1 3.22Å; D85-K175 WeakPolarHBondContact O-CD 3.38Å; D85-K175 WeakPolarHBondContact O-CE 3.41Å; D85-K175 PolarHBondContact O-NZ 2.73Å |
| 86 | V | 94.1 | Very high | 94 | Very high | 42 Ų | 42 | 49.7 Ų | 49.7 | 26% | 0.255 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -110.5 | -48.9 | 174.2 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | H83 P84 K175 L178 T179 | H83-V86 HydrophobicContact CB-CG2 4.5Å; H83-V86 PolarHBondContact O-N 3.43Å; H83-V86 VanDerWaalsContact O-N 3.14Å; P84-V86 PolarHBondContact O-N 3.15Å; V86-K175 VanDerWaalsContact O-O 3.12Å; V86-L178 HydrophobicContact CG1-CD1 4.05Å; V86-T179 PolarHBondContact O-OG1 3.06Å |
| 87 | F | 95 | Very high | 94.3 | Very high | 39 Ų | 39 | 47 Ų | 47 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -101.3 | -9.1 | -171.9 | -67.3 | -83.3 | 0 | 0 | 0 | 114.7 | L82 H83 L178 T179 L182 L187 | L82-F87 HydrophobicContact CB-CB 4.21Å; L82-F87 HydrophobicContact CB-CD2 3.69Å; L82-F87 HydrophobicContact CB-CE2 4.27Å; L82-F87 HydrophobicContact CB-CG 4.04Å; L82-F87 HydrophobicContact CD1-CB 4.28Å; L82-F87 HydrophobicContact CD1-CD1 4.03Å; L82-F87 HydrophobicContact CD1-CD2 4.2Å; L82-F87 HydrophobicContact CD1-CE1 4.4Å; L82-F87 HydrophobicContact CD1-CG 3.91Å; L82-F87 HydrophobicContact CD2-CD2 4.27Å; L82-F87 HydrophobicContact CD2-CE2 4.02Å; L82-F87 HydrophobicContact CD2-CZ 4.31Å; L82-F87 HydrophobicContact CG-CD2 4.29Å; L82-F87 HydrophobicContact CG-CG 4.48Å; H83-F87 PolarHBondContact O-N 3.17Å; H83-F87 VanDerWaalsContact O-N 3.11Å; F87-L178 HydrophobicContact CD1-CB 4.14Å; F87-L178 HydrophobicContact CE1-CB 4.18Å; F87-L178 HydrophobicContact CE1-CD1 4.18Å; F87-L178 HydrophobicContact CE1-CD2 4.47Å; F87-L178 HydrophobicContact CZ-CD1 4.44Å; F87-T179 WeakPolarHBondContact O-CA 3.24Å; F87-T179 WeakPolarHBondContact O-CB 3.19Å; F87-T179 VanDerWaalsContact O-CG2 3.28Å; F87-T179 WeakPolarHBondContact O-CG2 3.24Å; F87-T179 PolarHBondContact O-OG1 2.84Å; F87-L182 HydrophobicContact CB-CD2 3.84Å; F87-L182 HydrophobicContact CD1-CD2 4.4Å; F87-L187 HydrophobicContact CD1-CD2 4.01Å; F87-L187 HydrophobicContact CE1-CD2 3.87Å |
| 88 | A | 94.8 | Very high | 94.4 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -129.9 | 43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R59 V62 P84 | R59-A88 PolarHBondContact NH2-O 3Å; V62-A88 HydrophobicContact CG2-CB 3.69Å; P84-A88 HydrophobicContact CB-CB 4.3Å; P84-A88 CarbonylContact O-C 3.59Å; P84-A88 WeakPolarHBondContact O-CA 3.43Å; P84-A88 VanDerWaalsContact O-CB 3.32Å; P84-A88 WeakPolarHBondContact O-CB 3.31Å; P84-A88 PolarHBondContact O-N 3.44Å |
| 89 | T | 94.4 | Very high | 94.5 | Very high | 28 Ų | 28 | 49.6 Ų | 49.6 | 17% | 0.172 | 27% | 0.266 | C | S | . | . | trans | -79.3 | 154 | 174.5 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | D85 L172 V176 T179 | D85-T89 PolarHBondContact O-OG1 3.22Å; T89-L172 HydrophobicContact CG2-CD1 3.99Å; T89-V176 HydrophobicContact CG2-CG2 4.4Å; T89-T179 PolarHBondContact N-OG1 2.96Å; T89-T179 VanDerWaalsContact N-OG1 3.11Å; T89-T179 VanDerWaalsContact O-CG2 3.25Å; T89-T179 WeakPolarHBondContact O-CG2 3.29Å | ||
| 90 | A | 94 | Very high | 94.5 | Very high | 67 Ų | 67 | 49 Ų | 49 | 55% | 0.554 | 27% | 0.268 | S | S | * | . | trans | -54.8 | 131.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R92 | A90-R92 PolarHBondContact O-N 3.34Š| ||
| 91 | P | 93.7 | Very high | 94.5 | Very high | 94 Ų | 94 | 52.3 Ų | 52.3 | 61% | 0.61 | 28% | 0.284 | S | S | * | . | trans | -72.9 | 86.7 | -174.1 | 28.5 | -34.8 | 0 | 0 | 0 | 111.7 | L93 V180 | P91-L93 PolarHBondContact O-N 3.32Å; P91-V180 HydrophobicContact CB-CG2 4.37Å | ||
| 92 | R | 94 | Very high | 94.5 | Very high | 116 Ų | 116 | 50.4 Ų | 50.4 | 44% | 0.438 | 27% | 0.274 | S | S | . | . | trans | -90 | 84.6 | -179.2 | -75.3 | -166 | 67.9 | 167.3 | 2.1 | 112.6 | A90 D94 I95 L96 V176 | A90-R92 PolarHBondContact O-N 3.34Å; R92-D94 VanDerWaalsContact C-OD1 3.26Å; R92-D94 WeakPolarHBondContact CA-OD1 3.48Å; R92-D94 VanDerWaalsContact CB-OD1 3.25Å; R92-D94 WeakPolarHBondContact CB-OD1 3.3Å; R92-D94 IonicContact CZ-OD2 3.21Å; R92-D94 IonicContact NE-OD1 3.85Å; R92-D94 PolarHBondContact NE-OD1 3.29Å; R92-D94 IonicContact NE-OD2 2.79Å; R92-D94 IonicContact NH2-OD2 3Å; R92-D94 PolarHBondContact NH2-OD2 3.46Å; R92-D94 PolarHBondContact O-N 3.38Å; R92-I95 HydrophobicContact CB-CB 4.45Å; R92-I95 HydrophobicContact CB-CD1 4.25Å; R92-I95 HydrophobicContact CB-CG1 4.3Å; R92-I95 PolarHBondContact O-N 2.85Å; R92-L96 PolarHBondContact O-N 3.04Å; R92-V176 HydrophobicContact CB-CG2 4.12Å | ||
| 93 | L | 94.3 | Very high | 94.4 | Very high | 118 Ų | 118 | 50.9 Ų | 50.9 | 62% | 0.618 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.4 | -27.1 | -179.4 | -58.3 | -178.7 | 0 | 0 | 0 | 113.4 | P91 L96 H97 | P91-L93 PolarHBondContact O-N 3.32Å; L93-L96 HydrophobicContact CD2-CD1 4.13Å; L93-L96 PolarHBondContact O-N 3.49Å; L93-H97 PolarHBondContact O-N 2.9Å |
| 94 | D | 95.8 | Very high | 94.2 | Very high | 72 Ų | 72 | 56.2 Ų | 56.2 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.3 | -47.2 | 174.1 | 60.6 | -40.4 | 0 | 0 | 0 | 111.7 | R92 H97 Q98 | R92-D94 VanDerWaalsContact C-OD1 3.26Å; R92-D94 WeakPolarHBondContact CA-OD1 3.48Å; R92-D94 VanDerWaalsContact CB-OD1 3.25Å; R92-D94 WeakPolarHBondContact CB-OD1 3.3Å; R92-D94 IonicContact CZ-OD2 3.21Å; R92-D94 IonicContact NE-OD1 3.85Å; R92-D94 PolarHBondContact NE-OD1 3.29Å; R92-D94 IonicContact NE-OD2 2.79Å; R92-D94 IonicContact NH2-OD2 3Å; R92-D94 PolarHBondContact NH2-OD2 3.46Å; R92-D94 PolarHBondContact O-N 3.38Å; D94-H97 PolarHBondContact O-N 3.21Å; D94-Q98 WeakPolarHBondContact O-CG 3.25Å; D94-Q98 PolarHBondContact O-N 3.48Å |
| 95 | I | 94.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.4 | -40.4 | -180 | -63.4 | -175.9 | 0 | 0 | 0 | 110.7 | R92 H97 Q98 V99 V169 L172 | R92-I95 HydrophobicContact CB-CB 4.45Å; R92-I95 HydrophobicContact CB-CD1 4.25Å; R92-I95 HydrophobicContact CB-CG1 4.3Å; R92-I95 PolarHBondContact O-N 2.85Å; I95-H97 VanDerWaalsContact C-N 3.33Å; I95-H97 PolarHBondContact O-N 2.97Å; I95-Q98 PolarHBondContact O-N 3.32Å; I95-V99 HydrophobicContact CG2-CG2 4.25Å; I95-V99 WeakPolarHBondContact O-CG2 3.44Å; I95-V99 PolarHBondContact O-N 3.01Å; I95-V169 HydrophobicContact CG2-CG1 4.13Å; I95-L172 HydrophobicContact CD1-CD2 3.33Å; I95-L172 HydrophobicContact CD1-CG 3.87Å |
| 96 | L | 92.3 | Very high | 94.1 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57 | -47.9 | 175.1 | -76.9 | 179.7 | 0 | 0 | 0 | 111.5 | R92 L93 Q98 V99 A100 G173 V176 A177 V180 | R92-L96 PolarHBondContact O-N 3.04Å; L93-L96 HydrophobicContact CD2-CD1 4.13Å; L93-L96 PolarHBondContact O-N 3.49Å; L96-Q98 PolarHBondContact O-N 2.8Å; L96-V99 PolarHBondContact O-N 3.25Å; L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 3.44Å; L96-G173 VanDerWaalsContact CD2-O 3.27Å; L96-G173 WeakPolarHBondContact CD2-O 3.45Å; L96-V176 HydrophobicContact CD1-CG1 3.72Å; L96-V176 HydrophobicContact CD2-CB 4.28Å; L96-V176 HydrophobicContact CD2-CG1 4.24Å; L96-V176 HydrophobicContact CG-CB 4.21Å; L96-V176 HydrophobicContact CG-CG1 3.7Å; L96-A177 HydrophobicContact CD2-CB 3.77Å; L96-V180 HydrophobicContact CD1-CG2 4.26Å |
| 97 | H | 94.8 | Very high | 93.9 | Very high | 122 Ų | 122 | 62.1 Ų | 62.1 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 177.6 | 175.5 | -103 | 0 | 0 | 0 | 112.1 | L93 D94 I95 V99 A100 M101 | L93-H97 PolarHBondContact O-N 2.9Å; D94-H97 PolarHBondContact O-N 3.21Å; I95-H97 VanDerWaalsContact C-N 3.33Å; I95-H97 PolarHBondContact O-N 2.97Å; H97-V99 PolarHBondContact O-N 3.46Å; H97-A100 PolarHBondContact O-N 2.89Å; H97-M101 WeakPolarHBondContact O-CB 3.45Å; H97-M101 WeakPolarHBondContact O-CG 3.38Å; H97-M101 PolarHBondContact O-N 2.89Å |
| 98 | Q | 94.6 | Very high | 93.9 | Very high | 91 Ų | 91 | 66.1 Ų | 66.1 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 177.9 | -72.4 | 175.4 | 22.4 | 0 | 0 | 112.2 | D94 I95 L96 M101 W102 | D94-Q98 WeakPolarHBondContact O-CG 3.25Å; D94-Q98 PolarHBondContact O-N 3.48Å; I95-Q98 PolarHBondContact O-N 3.32Å; L96-Q98 PolarHBondContact O-N 2.8Å; Q98-M101 PolarHBondContact O-N 3.44Å; Q98-W102 VanDerWaalsContact O-CB 3.3Å; Q98-W102 WeakPolarHBondContact O-CB 3.18Å; Q98-W102 PolarHBondContact O-N 3.37Å |
| 99 | V | 94.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 69 Ų | 69 | 7% | 0.073 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.7 | -41 | 179.2 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | I95 L96 H97 W102 Q103 L165 W250 | I95-V99 HydrophobicContact CG2-CG2 4.25Å; I95-V99 WeakPolarHBondContact O-CG2 3.44Å; I95-V99 PolarHBondContact O-N 3.01Å; L96-V99 PolarHBondContact O-N 3.25Å; H97-V99 PolarHBondContact O-N 3.46Å; V99-W102 PolarHBondContact O-N 3.32Å; V99-Q103 WeakPolarHBondContact O-CB 3.24Å; V99-Q103 WeakPolarHBondContact O-CG 3.17Å; V99-Q103 PolarHBondContact O-N 2.94Å; V99-L165 HydrophobicContact CG2-CD1 4.17Å; V99-W250 HydrophobicContact CG1-CH2 3.95Å; V99-W250 HydrophobicContact CG1-CZ2 4.09Å |
| 100 | A | 92.8 | Very high | 94 | Very high | 31 Ų | 31 | 69 Ų | 69 | 26% | 0.256 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L96 H97 Q103 K104 | L96-A100 WeakPolarHBondContact O-CB 3.48Å; L96-A100 PolarHBondContact O-N 3.44Å; H97-A100 PolarHBondContact O-N 2.89Å; A100-Q103 PolarHBondContact O-N 3.39Å; A100-K104 PolarHBondContact O-N 3.5Å; A100-K104 VanDerWaalsContact O-N 3.11Å |
| 101 | M | 94.8 | Very high | 94.1 | Very high | 71 Ų | 71 | 74.4 Ų | 74.4 | 35% | 0.35 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 177 | -73.3 | -59.1 | -67.1 | 0 | 0 | 112.4 | H97 Q98 K104 N105 | H97-M101 WeakPolarHBondContact O-CB 3.45Å; H97-M101 WeakPolarHBondContact O-CG 3.38Å; H97-M101 PolarHBondContact O-N 2.89Å; Q98-M101 PolarHBondContact O-N 3.44Å; M101-K104 PolarHBondContact O-N 2.86Å; M101-N105 WeakPolarHBondContact O-CB 3.23Å; M101-N105 PolarHBondContact O-N 2.86Å; M101-N105 VanDerWaalsContact O-N 3.1Å; M101-N105 PolarHBondContact O-ND2 3.17Å |
| 102 | W | 96.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.008 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 173.5 | 171.4 | 80.8 | 0 | 0 | 0 | 111.1 | Q98 V99 K104 N105 F106 Y163 M164 L165 W250 | Q98-W102 VanDerWaalsContact O-CB 3.3Å; Q98-W102 WeakPolarHBondContact O-CB 3.18Å; Q98-W102 PolarHBondContact O-N 3.37Å; V99-W102 PolarHBondContact O-N 3.32Å; W102-K104 VanDerWaalsContact C-N 3.26Å; W102-K104 PolarHBondContact O-N 2.91Å; W102-N105 PolarHBondContact O-N 3.34Å; W102-N105 VanDerWaalsContact O-N 3.11Å; W102-F106 HydrophobicContact CE3-CD1 4.41Å; W102-F106 HydrophobicContact CH2-CD1 4.07Å; W102-F106 HydrophobicContact CH2-CD2 4.22Å; W102-F106 AromaticContact CH2-CE1 3.9Å; W102-F106 HydrophobicContact CH2-CE1 3.9Å; W102-F106 HydrophobicContact CH2-CE2 4.07Å; W102-F106 HydrophobicContact CH2-CG 4.17Å; W102-F106 AromaticContact CH2-CZ 3.85Å; W102-F106 HydrophobicContact CH2-CZ 3.85Å; W102-F106 HydrophobicContact CZ2-CD1 4.44Å; W102-F106 HydrophobicContact CZ2-CD2 4.2Å; W102-F106 HydrophobicContact CZ2-CE2 4.44Å; W102-F106 HydrophobicContact CZ2-CG 4.14Å; W102-F106 AromaticContact CZ3-CD1 3.91Å; W102-F106 HydrophobicContact CZ3-CD1 3.91Å; W102-F106 AromaticContact CZ3-CE1 3.74Å; W102-F106 HydrophobicContact CZ3-CE1 3.74Å; W102-F106 HydrophobicContact CZ3-CG 4.41Å; W102-F106 HydrophobicContact CZ3-CZ 4.14Å; W102-F106 WeakPolarHBondContact O-CB 3.21Å; W102-F106 WeakPolarHBondContact O-CD1 3.35Å; W102-F106 PolarHBondContact O-N 3.41Å; W102-Y163 WeakPolarHBondContact CA-OH 3.31Å; W102-Y163 HydrophobicContact CB-CE2 4.04Å; W102-Y163 WeakPolarHBondContact CB-OH 3.3Å; W102-Y163 AromaticContact CD1-CD2 3.66Å; W102-Y163 AromaticContact CD1-CE2 3.42Å; W102-Y163 VanDerWaalsContact CD1-CE2 3.42Å; W102-Y163 AromaticContact CD1-CZ 3.65Å; W102-Y163 VanDerWaalsContact CD1-O 3.29Å; W102-Y163 HydrophobicContact CG-CE2 4.08Å; W102-Y163 PolarHBondContact N-OH 2.91Å; W102-Y163 PolarHBondContact NE1-O 2.92Å; W102-M164 HydrophobicContact CZ2-SD 3.9Å; W102-L165 HydrophobicContact CB-CD1 3.27Å; W102-L165 HydrophobicContact CB-CG 3.95Å; W102-L165 HydrophobicContact CD2-CB 4.34Å; W102-L165 HydrophobicContact CD2-CD1 3.63Å; W102-L165 HydrophobicContact CD2-CG 4.09Å; W102-L165 HydrophobicContact CE3-CD1 4.17Å; W102-L165 HydrophobicContact CG-CB 4.3Å; W102-L165 HydrophobicContact CG-CD1 3.26Å; W102-L165 HydrophobicContact CG-CG 3.59Å; W102-W250 AromaticContact CE3-CH2 3.52Å; W102-W250 HydrophobicContact CE3-CH2 3.52Å; W102-W250 AromaticContact CE3-CZ3 3.74Å; W102-W250 HydrophobicContact CE3-CZ3 3.74Å; W102-W250 HydrophobicContact CH2-CD2 4.35Å; W102-W250 AromaticContact CH2-CE3 3.31Å; W102-W250 HydrophobicContact CH2-CE3 3.31Å; W102-W250 AromaticContact CH2-CH2 3.64Å; W102-W250 HydrophobicContact CH2-CH2 3.64Å; W102-W250 AromaticContact CH2-CZ3 3.04Å; W102-W250 HydrophobicContact CH2-CZ3 3.04Å; W102-W250 HydrophobicContact CZ2-CE3 4.47Å; W102-W250 HydrophobicContact CZ2-CZ3 4.33Å; W102-W250 AromaticContact CZ3-CE3 3.57Å; W102-W250 HydrophobicContact CZ3-CE3 3.57Å; W102-W250 AromaticContact CZ3-CH2 3.02Å; W102-W250 HydrophobicContact CZ3-CH2 3.02Å; W102-W250 HydrophobicContact CZ3-CZ2 4.22Å; W102-W250 AromaticContact CZ3-CZ3 2.74Å; W102-W250 HydrophobicContact CZ3-CZ3 2.74Å |
| 103 | Q | 91.8 | Very high | 94.3 | Very high | 23 Ų | 23 | 73 Ų | 73 | 11% | 0.107 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.5 | -37.3 | 177.4 | -79.9 | 171.8 | -7.4 | 0 | 0 | 113.1 | V99 A100 F106 W250 F268 P269 | V99-Q103 WeakPolarHBondContact O-CB 3.24Å; V99-Q103 WeakPolarHBondContact O-CG 3.17Å; V99-Q103 PolarHBondContact O-N 2.94Å; A100-Q103 PolarHBondContact O-N 3.39Å; Q103-F106 HydrophobicContact CB-CE1 4.45Å; Q103-F106 WeakPolarHBondContact O-CD1 3.4Å; Q103-F106 WeakPolarHBondContact O-CE1 3.48Å; Q103-W250 HydrophobicContact CG-CH2 3.79Å; Q103-W250 HydrophobicContact CG-CZ3 3.87Å; Q103-W250 VanDerWaalsContact NE2-CH2 3.25Å; Q103-F268 VanDerWaalsContact CD-CB 3.42Å; Q103-P269 VanDerWaalsContact OE1-CD 3.32Å |
| 104 | K | 92.1 | Very high | 94.4 | Very high | 143 Ų | 143 | 69 Ų | 69 | 62% | 0.622 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69.4 | -39.1 | 177.1 | -174.4 | 177.1 | -178.3 | 177.2 | 0 | 112.6 | A100 M101 W102 | A100-K104 PolarHBondContact O-N 3.5Å; A100-K104 VanDerWaalsContact O-N 3.11Å; M101-K104 PolarHBondContact O-N 2.86Å; W102-K104 VanDerWaalsContact C-N 3.26Å; W102-K104 PolarHBondContact O-N 2.91Å |
| 105 | N | 94.4 | Very high | 94.5 | Very high | 33 Ų | 33 | 72.3 Ų | 72.3 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -94 | -34.1 | -169.5 | -70.6 | -21.1 | 0 | 0 | 0 | 113.7 | M101 W102 K107 R108 Y163 | M101-N105 WeakPolarHBondContact O-CB 3.23Å; M101-N105 PolarHBondContact O-N 2.86Å; M101-N105 VanDerWaalsContact O-N 3.1Å; M101-N105 PolarHBondContact O-ND2 3.17Å; W102-N105 PolarHBondContact O-N 3.34Å; W102-N105 VanDerWaalsContact O-N 3.11Å; N105-K107 VanDerWaalsContact C-N 3.26Å; N105-K107 PolarHBondContact O-N 3.19Å; N105-R108 VanDerWaalsContact O-CB 3.24Å; N105-R108 WeakPolarHBondContact O-CB 3.44Å; N105-R108 PolarHBondContact O-N 3.15Å; N105-Y163 HydrophobicContact CB-CE1 4.02Å |
| 106 | F | 94.2 | Very high | 94.5 | Very high | 44 Ų | 44 | 73.6 Ų | 73.6 | 19% | 0.193 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.3 | -29.7 | -170.7 | 86.6 | -76.5 | 0 | 0 | 0 | 113.9 | W102 Q103 | W102-F106 HydrophobicContact CE3-CD1 4.41Å; W102-F106 HydrophobicContact CH2-CD1 4.07Å; W102-F106 HydrophobicContact CH2-CD2 4.22Å; W102-F106 AromaticContact CH2-CE1 3.9Å; W102-F106 HydrophobicContact CH2-CE1 3.9Å; W102-F106 HydrophobicContact CH2-CE2 4.07Å; W102-F106 HydrophobicContact CH2-CG 4.17Å; W102-F106 AromaticContact CH2-CZ 3.85Å; W102-F106 HydrophobicContact CH2-CZ 3.85Å; W102-F106 HydrophobicContact CZ2-CD1 4.44Å; W102-F106 HydrophobicContact CZ2-CD2 4.2Å; W102-F106 HydrophobicContact CZ2-CE2 4.44Å; W102-F106 HydrophobicContact CZ2-CG 4.14Å; W102-F106 AromaticContact CZ3-CD1 3.91Å; W102-F106 HydrophobicContact CZ3-CD1 3.91Å; W102-F106 AromaticContact CZ3-CE1 3.74Å; W102-F106 HydrophobicContact CZ3-CE1 3.74Å; W102-F106 HydrophobicContact CZ3-CG 4.41Å; W102-F106 HydrophobicContact CZ3-CZ 4.14Å; W102-F106 WeakPolarHBondContact O-CB 3.21Å; W102-F106 WeakPolarHBondContact O-CD1 3.35Å; W102-F106 PolarHBondContact O-N 3.41Å; Q103-F106 HydrophobicContact CB-CE1 4.45Å; Q103-F106 WeakPolarHBondContact O-CD1 3.4Å; Q103-F106 WeakPolarHBondContact O-CE1 3.48Å |
| 107 | K | 90.4 | Very high | 94.6 | Very high | 142 Ų | 142 | 78.5 Ų | 78.5 | 62% | 0.617 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.9 | 175.5 | -66.2 | 177.4 | -177.9 | -173.1 | 0 | 113.2 | N105 | N105-K107 VanDerWaalsContact C-N 3.26Å; N105-K107 PolarHBondContact O-N 3.19Å |
| 108 | R | 93.5 | Very high | 94.6 | Very high | 124 Ų | 124 | 76.4 Ų | 76.4 | 47% | 0.468 | 37% | 0.369 | S | S | . | . | trans | -80.4 | 125.6 | -171.3 | -174.5 | -176 | 178.1 | -166.9 | -2 | 110.6 | N105 Y161 | N105-R108 VanDerWaalsContact O-CB 3.24Å; N105-R108 WeakPolarHBondContact O-CB 3.44Å; N105-R108 PolarHBondContact O-N 3.15Å; R108-Y161 HydrophobicContact CB-CD2 4.43Å; R108-Y161 HydrophobicContact CG-CD2 4.16Å; R108-Y161 PolarHBondContact O-N 3.15Å | ||
| 109 | I | 96 | Very high | 94.6 | Very high | 87 Ų | 87 | 75.7 Ų | 75.7 | 45% | 0.446 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.3 | 170 | -58.4 | 173.7 | 0 | 0 | 0 | 107.6 | Y111 | I109-Y111 HydrophobicContact CB-CE2 4.21Å; I109-Y111 HydrophobicContact CG2-CD2 4.46Å; I109-Y111 HydrophobicContact CG2-CE1 3.99Å; I109-Y111 HydrophobicContact CG2-CE2 3.94Å |
| 110 | S | 96.1 | Very high | 94.7 | Very high | 28 Ų | 28 | 76.5 Ų | 76.5 | 20% | 0.196 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.3 | 175.2 | -175.9 | 0 | 0 | 0 | 0 | 110 | A112 P158 T159 | S110-A112 VanDerWaalsContact C-N 3.35Å; S110-P158 CarbonylContact O-C 3.59Å; S110-P158 VanDerWaalsContact O-CA 3.23Å; S110-P158 WeakPolarHBondContact O-CA 3.3Å; S110-T159 PolarHBondContact N-O 3.44Å; S110-T159 PolarHBondContact O-N 3.26Å |
| 111 | Y | 96.3 | Very high | 94.8 | Very high | 180 Ų | 180 | 86.3 Ų | 86.3 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | trans | -91.4 | 5.5 | 177.6 | -63.4 | -80.7 | 0 | 0 | 0 | 113.7 | I109 K113 P158 | I109-Y111 HydrophobicContact CB-CE2 4.21Å; I109-Y111 HydrophobicContact CG2-CD2 4.46Å; I109-Y111 HydrophobicContact CG2-CE1 3.99Å; I109-Y111 HydrophobicContact CG2-CE2 3.94Å; Y111-K113 PolarHBondContact O-N 2.83Å; Y111-P158 HydrophobicContact CD1-CB 4.43Å | ||
| 112 | A | 96 | Very high | 94.8 | Very high | 45 Ų | 45 | 85.2 Ų | 85.2 | 37% | 0.372 | 41% | 0.408 | S | S | . | . | trans | -64.1 | 128.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S110 P155 G157 | S110-A112 VanDerWaalsContact C-N 3.35Å; A112-P155 HydrophobicContact CB-CB 3.79Å; A112-P155 HydrophobicContact CB-CG 3.77Å; A112-P155 WeakPolarHBondContact O-CB 3.45Å; A112-G157 PolarHBondContact O-N 3.1Å | ||
| 113 | K | 96.3 | Very high | 94.5 | Very high | 135 Ų | 135 | 85.9 Ų | 85.9 | 59% | 0.587 | 42% | 0.415 | S | S | * | . | trans | -141.1 | 122.8 | 177.8 | -174.6 | 175.4 | 178.1 | 177.6 | 0 | 110.2 | Y111 P155 | Y111-K113 PolarHBondContact O-N 2.83Å; K113-P155 WeakPolarHBondContact CA-O 3.44Å | ||
| 114 | T | 96.4 | Very high | 94.4 | Very high | 35 Ų | 35 | 88.7 Ų | 88.7 | 22% | 0.215 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 144.5 | 169.5 | 52 | 0 | 0 | 0 | 0 | 110.8 | V151 G154 P155 R156 | T114-V151 HydrophobicContact CG2-CB 4.44Å; T114-V151 HydrophobicContact CG2-CG2 4.14Å; T114-G154 WeakPolarHBondContact OG1-CA 3.5Å; T114-P155 HydrophobicContact CG2-CG 3.98Å; T114-P155 PolarHBondContact N-O 2.93Å; T114-P155 PolarHBondContact OG1-O 3.12Å; T114-R156 PolarHBondContact O-NH1 3.02Å |
| 115 | K | 96.1 | Very high | 94.5 | Very high | 141 Ų | 141 | 92.6 Ų | 92.6 | 61% | 0.613 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 126.4 | 174.6 | -63.2 | -176 | -177.5 | 179.5 | 0 | 110.2 | E119 V120 G150 V151 | K115-E119 VanDerWaalsContact CA-OE2 3.3Å; K115-E119 WeakPolarHBondContact CA-OE2 3.38Å; K115-E119 HydrophobicContact CB-CB 4.12Å; K115-E119 HydrophobicContact CG-CB 4.49Å; K115-V120 HydrophobicContact CB-CG2 3.83Å; K115-G150 WeakPolarHBondContact O-CA 3.38Å; K115-V151 PolarHBondContact O-N 2.92Å |
| 116 | T | 96.3 | Very high | 94.5 | Very high | 34 Ų | 34 | 95.2 Ų | 95.2 | 21% | 0.209 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 167.4 | 169.6 | 65.9 | 0 | 0 | 0 | 0 | 110.4 | A118 E119 V120 | T116-A118 PolarHBondContact O-N 3.1Å; T116-A118 PolarHBondContact OG1-N 3.03Å; T116-E119 PolarHBondContact N-OE2 3.25Å; T116-E119 PolarHBondContact O-N 3.32Å; T116-E119 WeakPolarHBondContact OG1-CG 3.27Å; T116-V120 WeakPolarHBondContact O-CG2 3.33Å; T116-V120 PolarHBondContact O-N 3.35Å; T116-V120 VanDerWaalsContact O-N 3.08Å |
| 117 | R | 94.4 | Very high | 94.6 | Very high | 126 Ų | 126 | 95.2 Ų | 95.2 | 48% | 0.475 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -24.8 | 175.1 | 65.8 | 177.6 | -67.2 | -163.4 | -4.3 | 114 | R142 | R117-R142 HydrophobicContact CB-CB 4.43Å; R117-R142 VanDerWaalsContact CB-O 3.22Å; R117-R142 WeakPolarHBondContact CB-O 3.26Å; R117-R142 WeakPolarHBondContact O-CD 3.43Å; R117-R142 PolarHBondContact O-NH1 3.31Å |
| 118 | A | 94.1 | Very high | 94.8 | Very high | 77 Ų | 77 | 90.3 Ų | 90.3 | 64% | 0.636 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -35.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T116 R142 | T116-A118 PolarHBondContact O-N 3.1Å; T116-A118 PolarHBondContact OG1-N 3.03Å; A118-R142 PolarHBondContact O-NH1 2.89Å |
| 119 | E | 95.3 | Very high | 95 | Very high | 76 Ų | 76 | 88.6 Ų | 88.6 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -21.1 | -176.1 | -64.3 | 168.1 | 165.5 | 0 | 0 | 113.7 | K115 T116 R156 | K115-E119 VanDerWaalsContact CA-OE2 3.3Å; K115-E119 WeakPolarHBondContact CA-OE2 3.38Å; K115-E119 HydrophobicContact CB-CB 4.12Å; K115-E119 HydrophobicContact CG-CB 4.49Å; T116-E119 PolarHBondContact N-OE2 3.25Å; T116-E119 PolarHBondContact O-N 3.32Å; T116-E119 WeakPolarHBondContact OG1-CG 3.27Å; E119-R156 IonicContact OE1-CZ 2.89Å; E119-R156 IonicContact OE1-NH1 3.88Å; E119-R156 PolarHBondContact OE1-NH1 3.3Å; E119-R156 VanDerWaalsContact OE1-NH1 3.15Å; E119-R156 IonicContact OE1-NH2 3.72Å; E119-R156 PolarHBondContact OE1-NH2 3.39Å; E119-R156 IonicContact OE2-CZ 3.79Å; E119-R156 IonicContact OE2-NH1 2.67Å; E119-R156 PolarHBondContact OE2-NH1 2.9Å; E119-R156 IonicContact OE2-NH2 2.82Å |
| 120 | V | 96.1 | Very high | 94.9 | Very high | 29 Ų | 29 | 88.7 Ų | 88.7 | 18% | 0.176 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -64.3 | 151.4 | 171 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | K115 T116 R142 | K115-V120 HydrophobicContact CB-CG2 3.83Å; T116-V120 WeakPolarHBondContact O-CG2 3.33Å; T116-V120 PolarHBondContact O-N 3.35Å; T116-V120 VanDerWaalsContact O-N 3.08Å; V120-R142 HydrophobicContact CB-CG 4.35Å; V120-R142 HydrophobicContact CG1-CG 4.06Å; V120-R142 PolarHBondContact O-NE 3.41Å; V120-R142 PolarHBondContact O-NH1 3.49Å; V120-R142 PolarHBondContact O-NH2 3.42Å |
| 121 | R | 95 | Very high | 94.9 | Very high | 237 Ų | 237 | 95.4 Ų | 95.4 | 89% | 0.894 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -80.7 | 155.3 | -179 | -170.3 | 179.4 | 176.6 | -168 | -0.5 | 112.5 | R142 | R121-R142 VanDerWaalsContact C-CZ 3.41Å; R121-R142 PolarHBondContact O-NE 2.81Å |
| 122 | G | 94.3 | Very high | 94.8 | Very high | 48 Ų | 48 | 91 Ų | 91 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | S | Bend | trans | 91.3 | -135.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | G124 R142 | G122-G124 VanDerWaalsContact C-N 3.35Å; G122-G124 PolarHBondContact O-N 3.38Å; G122-R142 PolarHBondContact O-NE 3.42Å; G122-R142 PolarHBondContact O-NH2 3.01Å |
| 123 | G | 89.3 | Confident | 94.7 | Very high | 16 Ų | 16 | 91.9 Ų | 91.9 | 17% | 0.165 | 49% | 0.493 | C | S | . | . | trans | 62.6 | 2.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | S140 | G123-S140 PolarHBondContact O-OG 2.82Š| ||
| 124 | G | 90.7 | Very high | 94.7 | Very high | 83 Ų | 83 | 89.6 Ų | 89.6 | 86% | 0.856 | 51% | 0.508 | S | S | * | . | trans | -80.2 | -21.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | G122 | G122-G124 VanDerWaalsContact C-N 3.35Å; G122-G124 PolarHBondContact O-N 3.38Å | ||
| 125 | R | 93.6 | Very high | 94.6 | Very high | 225 Ų | 225 | 96 Ų | 96 | 85% | 0.849 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -95.2 | 139 | 178.8 | -176.1 | 178.9 | 173.9 | -169.6 | 0 | 111.1 | ||
| 126 | K | 95.1 | Very high | 94.6 | Very high | 87 Ų | 87 | 92.4 Ų | 92.4 | 38% | 0.378 | 53% | 0.525 | S | S | . | . | trans | -64.9 | 130.2 | 172.3 | -167.9 | 174.1 | -177 | 163.3 | 0 | 110.3 | W128 H138 | K126-W128 WeakPolarHBondContact CD-O 3.48Å; K126-W128 WeakPolarHBondContact CE-O 3.49Å; K126-W128 WeakPolarHBondContact CG-O 3.5Å; K126-W128 PolarHBondContact O-N 2.79Å; K126-H138 WeakPolarHBondContact CE-O 3.47Å | ||
| 127 | P | 94.9 | Very high | 94.6 | Very high | 45 Ų | 45 | 98.8 Ų | 98.8 | 29% | 0.292 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -61.4 | -40.4 | -176.2 | -26.5 | 35.8 | 0 | 0 | 0 | 114.5 | H138 I141 | P127-H138 HydrophobicContact CG-CB 4.43Å; P127-I141 HydrophobicContact CB-CG2 4.36Å; P127-I141 HydrophobicContact CG-CG2 3.67Å |
| 128 | W | 96.1 | Very high | 94.7 | Very high | 39 Ų | 39 | 94.9 Ų | 94.9 | 15% | 0.148 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -154.9 | 163 | 176.9 | 50.5 | 86.4 | 0 | 0 | 0 | 111.7 | K126 T133 R135 A136 H138 W146 | K126-W128 WeakPolarHBondContact CD-O 3.48Å; K126-W128 WeakPolarHBondContact CE-O 3.49Å; K126-W128 WeakPolarHBondContact CG-O 3.5Å; K126-W128 PolarHBondContact O-N 2.79Å; W128-T133 HydrophobicContact CB-CG2 4.14Å; W128-T133 HydrophobicContact CG-CG2 4.46Å; W128-R135 HydrophobicContact CZ2-CB 4Å; W128-A136 WeakPolarHBondContact CZ2-O 3.39Å; W128-A136 PolarHBondContact NE1-O 3.35Å; W128-H138 AromaticContact CH2-CD2 3.78Å; W128-H138 HydrophobicContact CZ2-CB 4.37Å; W128-H138 AromaticContact CZ2-CD2 3.53Å; W128-W146 AromaticContact CH2-CH2 3.68Å; W128-W146 HydrophobicContact CH2-CH2 3.68Å; W128-W146 AromaticContact CH2-CZ2 3.64Å; W128-W146 HydrophobicContact CH2-CZ2 3.64Å; W128-W146 AromaticContact CZ3-CH2 3.79Å; W128-W146 HydrophobicContact CZ3-CH2 3.79Å; W128-W146 HydrophobicContact CZ3-CZ2 4.05Å |
| 129 | P | 95.8 | Very high | 94.7 | Very high | 88 Ų | 88 | 93.9 Ų | 93.9 | 57% | 0.571 | 53% | 0.529 | S | S | * | . | trans | -57.3 | 155.6 | 175.7 | -24.9 | 35.3 | 0 | 0 | 0 | 113.2 | K131 | P129-K131 PolarHBondContact O-N 2.87Š| ||
| 130 | Q | 95.5 | Very high | 94.7 | Very high | 88 Ų | 88 | 90.8 Ų | 90.8 | 41% | 0.411 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -64.3 | -26.7 | -174.7 | -172 | 67.4 | 2.6 | 0 | 0 | 113.9 | R137 | Q130-R137 VanDerWaalsContact NE2-CD 3.29Š|
| 131 | K | 94.9 | Very high | 94.7 | Very high | 170 Ų | 170 | 93.4 Ų | 93.4 | 74% | 0.739 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -136.9 | 160.2 | -175.9 | -61.8 | -177.7 | -180 | -179.4 | 0 | 109.1 | P129 | P129-K131 PolarHBondContact O-N 2.87Š|
| 132 | G | 95.6 | Very high | 94.7 | Very high | 87 Ų | 87 | 84.4 Ų | 84.4 | 90% | 0.897 | 49% | 0.494 | S | S | * | . | S | Bend | trans | 98.3 | -20.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 133 | T | 93.4 | Very high | 94.7 | Very high | 63 Ų | 63 | 83.1 Ų | 83.1 | 39% | 0.387 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -95.4 | -9.5 | -175.3 | 56.8 | 0 | 0 | 0 | 0 | 115.4 | W128 R135 | W128-T133 HydrophobicContact CB-CG2 4.14Å; W128-T133 HydrophobicContact CG-CG2 4.46Å; T133-R135 PolarHBondContact O-N 3.48Å; T133-R135 VanDerWaalsContact O-N 3.07Å |
| 134 | G | 95.4 | Very high | 95 | Very high | 88 Ų | 88 | 85.4 Ų | 85.4 | 91% | 0.907 | 49% | 0.49 | S | S | * | . | trans | 66.9 | 1.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 135 | R | 95.8 | Very high | 95.3 | Very high | 168 Ų | 168 | 88.5 Ų | 88.5 | 63% | 0.634 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -95.1 | 164 | -179.2 | -61.1 | 177.6 | 78.1 | 155.1 | 4.7 | 111.9 | W128 T133 | W128-R135 HydrophobicContact CZ2-CB 4Å; T133-R135 PolarHBondContact O-N 3.48Å; T133-R135 VanDerWaalsContact O-N 3.07Å |
| 136 | A | 95.9 | Very high | 95.3 | Very high | 66 Ų | 66 | 81.4 Ų | 81.4 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -56 | 149.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W128 | W128-A136 WeakPolarHBondContact CZ2-O 3.39Å; W128-A136 PolarHBondContact NE1-O 3.35Å |
| 137 | R | 96.2 | Very high | 95.3 | Very high | 169 Ų | 169 | 89.2 Ų | 89.2 | 64% | 0.638 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 121.5 | -177.3 | -67.8 | 165.4 | 172.8 | -173.6 | 9.9 | 110.5 | Q130 | Q130-R137 VanDerWaalsContact NE2-CD 3.29Š|
| 138 | H | 95.9 | Very high | 95.2 | Very high | 43 Ų | 43 | 90.3 Ų | 90.3 | 20% | 0.199 | 51% | 0.506 | C | S | . | . | trans | -130.8 | 138.8 | 176 | -69.7 | -56.4 | 0 | 0 | 0 | 112.5 | K126 P127 W128 W146 | K126-H138 WeakPolarHBondContact CE-O 3.47Å; P127-H138 HydrophobicContact CG-CB 4.43Å; W128-H138 AromaticContact CH2-CD2 3.78Å; W128-H138 HydrophobicContact CZ2-CB 4.37Å; W128-H138 AromaticContact CZ2-CD2 3.53Å; H138-W146 HydrophobicContact CB-CZ2 4.14Å; H138-W146 AromaticContact CD2-CE2 3.81Å; H138-W146 AromaticContact CD2-CZ2 3.48Å; H138-W146 VanDerWaalsContact CD2-CZ2 3.48Å; H138-W146 WeakPolarHBondContact CD2-CZ2 3.34Å; H138-W146 AromaticContact CD2-NE1 3.61Å; H138-W146 AromaticContact CE1-NE1 3.62Å; H138-W146 AromaticContact CG-CE2 3.91Å; H138-W146 AromaticContact CG-CZ2 3.85Å; H138-W146 AromaticContact CG-NE1 3.35Å; H138-W146 AromaticContact ND1-NE1 3.36Å; H138-W146 PolarHBondContact ND1-NE1 3.43Å; H138-W146 AromaticContact NE2-NE1 3.77Å | ||
| 139 | G | 94.7 | Very high | 95.1 | Very high | 56 Ų | 56 | 89.4 Ų | 89.4 | 58% | 0.577 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -95 | -28.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 140 | S | 94.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 85.5 Ų | 85.5 | 8% | 0.084 | 48% | 0.484 | C | S | . | . | trans | -156.3 | 145.3 | -178.7 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | G123 R142 | G123-S140 PolarHBondContact O-OG 2.82Å; S140-R142 PolarHBondContact O-N 3.42Å; S140-R142 PolarHBondContact OG-N 2.7Å | ||
| 141 | I | 95.1 | Very high | 95.2 | Very high | 83 Ų | 83 | 84.5 Ų | 84.5 | 43% | 0.426 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.7 | 174.6 | 63.2 | 173.5 | 0 | 0 | 0 | 113.7 | P127 S143 W146 | P127-I141 HydrophobicContact CB-CG2 4.36Å; P127-I141 HydrophobicContact CG-CG2 3.67Å; I141-S143 VanDerWaalsContact C-N 3.34Å; I141-W146 WeakPolarHBondContact O-CB 3.33Å |
| 142 | R | 95.8 | Very high | 95.2 | Very high | 48 Ų | 48 | 79.6 Ų | 79.6 | 18% | 0.181 | 48% | 0.475 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 4.3 | 179.2 | -60.6 | 175.2 | -174 | 177.4 | -2.9 | 113.4 | R117 A118 V120 R121 G122 S140 G149 G150 | R117-R142 HydrophobicContact CB-CB 4.43Å; R117-R142 VanDerWaalsContact CB-O 3.22Å; R117-R142 WeakPolarHBondContact CB-O 3.26Å; R117-R142 WeakPolarHBondContact O-CD 3.43Å; R117-R142 PolarHBondContact O-NH1 3.31Å; A118-R142 PolarHBondContact O-NH1 2.89Å; V120-R142 HydrophobicContact CB-CG 4.35Å; V120-R142 HydrophobicContact CG1-CG 4.06Å; V120-R142 PolarHBondContact O-NE 3.41Å; V120-R142 PolarHBondContact O-NH1 3.49Å; V120-R142 PolarHBondContact O-NH2 3.42Å; R121-R142 VanDerWaalsContact C-CZ 3.41Å; R121-R142 PolarHBondContact O-NE 2.81Å; G122-R142 PolarHBondContact O-NE 3.42Å; G122-R142 PolarHBondContact O-NH2 3.01Å; S140-R142 PolarHBondContact O-N 3.42Å; S140-R142 PolarHBondContact OG-N 2.7Å; R142-G149 WeakPolarHBondContact O-CA 3.41Å; R142-G150 PolarHBondContact O-N 3.2Å |
| 143 | S | 94.1 | Very high | 95.2 | Very high | 21 Ų | 21 | 84.3 Ų | 84.3 | 15% | 0.147 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -60.8 | 147.9 | 178.7 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | I141 L145 W146 | I141-S143 VanDerWaalsContact C-N 3.34Å; S143-L145 PolarHBondContact O-N 3.26Å; S143-W146 WeakPolarHBondContact O-CB 3.45Å; S143-W146 PolarHBondContact O-N 3.44Å |
| 144 | P | 96.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 82.6 Ų | 82.6 | 42% | 0.416 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -21.7 | 176.8 | -23.6 | 31.9 | 0 | 0 | 0 | 114.8 | W146 G150 A152 | P144-W146 VanDerWaalsContact C-N 3.26Å; P144-W146 PolarHBondContact O-N 2.94Å; P144-G150 VanDerWaalsContact CA-O 3.25Å; P144-G150 WeakPolarHBondContact CA-O 3.26Å; P144-G150 WeakPolarHBondContact CB-O 3.3Å; P144-G150 WeakPolarHBondContact CG-O 3.42Å; P144-A152 HydrophobicContact CB-CB 4.1Å; P144-A152 HydrophobicContact CG-CB 3.78Å |
| 145 | L | 95.4 | Very high | 95.3 | Very high | 148 Ų | 148 | 81.3 Ų | 81.3 | 78% | 0.775 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -20.6 | 175.4 | -61.4 | 174.7 | 0 | 0 | 0 | 113.2 | S143 | S143-L145 PolarHBondContact O-N 3.26Š|
| 146 | W | 95 | Very high | 95.1 | Very high | 76 Ų | 76 | 79 Ų | 79 | 29% | 0.288 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -92.8 | 145.3 | -177.4 | -76.4 | 72.5 | 0 | 0 | 0 | 111.2 | W128 H138 I141 S143 P144 G148 G149 | W128-W146 AromaticContact CH2-CH2 3.68Å; W128-W146 HydrophobicContact CH2-CH2 3.68Å; W128-W146 AromaticContact CH2-CZ2 3.64Å; W128-W146 HydrophobicContact CH2-CZ2 3.64Å; W128-W146 AromaticContact CZ3-CH2 3.79Å; W128-W146 HydrophobicContact CZ3-CH2 3.79Å; W128-W146 HydrophobicContact CZ3-CZ2 4.05Å; H138-W146 HydrophobicContact CB-CZ2 4.14Å; H138-W146 AromaticContact CD2-CE2 3.81Å; H138-W146 AromaticContact CD2-CZ2 3.48Å; H138-W146 VanDerWaalsContact CD2-CZ2 3.48Å; H138-W146 WeakPolarHBondContact CD2-CZ2 3.34Å; H138-W146 AromaticContact CD2-NE1 3.61Å; H138-W146 AromaticContact CE1-NE1 3.62Å; H138-W146 AromaticContact CG-CE2 3.91Å; H138-W146 AromaticContact CG-CZ2 3.85Å; H138-W146 AromaticContact CG-NE1 3.35Å; H138-W146 AromaticContact ND1-NE1 3.36Å; H138-W146 PolarHBondContact ND1-NE1 3.43Å; H138-W146 AromaticContact NE2-NE1 3.77Å; I141-W146 WeakPolarHBondContact O-CB 3.33Å; S143-W146 WeakPolarHBondContact O-CB 3.45Å; S143-W146 PolarHBondContact O-N 3.44Å; P144-W146 VanDerWaalsContact C-N 3.26Å; P144-W146 PolarHBondContact O-N 2.94Å; W146-G148 PolarHBondContact O-N 3.02Å; W146-G149 PolarHBondContact O-N 3.06Å |
| 147 | R | 94.4 | Very high | 94.5 | Very high | 251 Ų | 251 | 76.2 Ų | 76.2 | 95% | 0.947 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 128.7 | 170.4 | -174.8 | -176.3 | 178.7 | -151.7 | 0.2 | 109.7 | G149 | R147-G149 PolarHBondContact O-N 2.97Š|
| 148 | G | 93.2 | Very high | 94.4 | Very high | 68 Ų | 68 | 73 Ų | 73 | 70% | 0.701 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 7.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | W146 | W146-G148 PolarHBondContact O-N 3.02Š|
| 149 | G | 94.4 | Very high | 94.3 | Very high | 21 Ų | 21 | 73.7 Ų | 73.7 | 22% | 0.216 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 171 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113 | R142 W146 R147 | R142-G149 WeakPolarHBondContact O-CA 3.41Å; W146-G149 PolarHBondContact O-N 3.06Å; R147-G149 PolarHBondContact O-N 2.97Å |
| 150 | G | 96.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 75.1 Ų | 75.1 | 5% | 0.052 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 156.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K115 R142 P144 | K115-G150 WeakPolarHBondContact O-CA 3.38Å; R142-G150 PolarHBondContact O-N 3.2Å; P144-G150 VanDerWaalsContact CA-O 3.25Å; P144-G150 WeakPolarHBondContact CA-O 3.26Å; P144-G150 WeakPolarHBondContact CB-O 3.3Å; P144-G150 WeakPolarHBondContact CG-O 3.42Å |
| 151 | V | 96.9 | Very high | 94.4 | Very high | 68 Ų | 68 | 79.1 Ų | 79.1 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 132 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | T114 K115 | T114-V151 HydrophobicContact CG2-CB 4.44Å; T114-V151 HydrophobicContact CG2-CG2 4.14Å; K115-V151 PolarHBondContact O-N 2.92Å |
| 152 | A | 94.9 | Very high | 94.4 | Very high | 67 Ų | 67 | 81.6 Ų | 81.6 | 55% | 0.554 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -70.8 | -59.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P144 | P144-A152 HydrophobicContact CB-CB 4.1Å; P144-A152 HydrophobicContact CG-CB 3.78Å |
| 153 | H | 95.1 | Very high | 94.5 | Very high | 186 Ų | 186 | 83.9 Ų | 83.9 | 86% | 0.861 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -120.7 | 102.8 | 176.2 | -60.1 | -62.1 | 0 | 0 | 0 | 108.5 | ||
| 154 | G | 94.4 | Very high | 94.5 | Very high | 27 Ų | 27 | 86.6 Ų | 86.6 | 28% | 0.278 | 46% | 0.462 | S | S | . | . | trans | -143.8 | 172.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T114 R156 | T114-G154 WeakPolarHBondContact OG1-CA 3.5Å; G154-R156 PolarHBondContact O-N 3.22Å | ||
| 155 | P | 95.9 | Very high | 94.5 | Very high | 60 Ų | 60 | 84.6 Ų | 84.6 | 39% | 0.39 | 45% | 0.448 | S | S | . | . | trans | -60.4 | 132.2 | -178.8 | 27.5 | -36.6 | 0 | 0 | 0 | 110.7 | A112 K113 T114 | A112-P155 HydrophobicContact CB-CB 3.79Å; A112-P155 HydrophobicContact CB-CG 3.77Å; A112-P155 WeakPolarHBondContact O-CB 3.45Å; K113-P155 WeakPolarHBondContact CA-O 3.44Å; T114-P155 HydrophobicContact CG2-CG 3.98Å; T114-P155 PolarHBondContact N-O 2.93Å; T114-P155 PolarHBondContact OG1-O 3.12Å | ||
| 156 | R | 91.9 | Very high | 94.5 | Very high | 120 Ų | 120 | 81.5 Ų | 81.5 | 45% | 0.453 | 44% | 0.437 | S | S | . | . | trans | -108.5 | 88.7 | -176.8 | -66.6 | -58.8 | -63.2 | 149.6 | -4.7 | 110.1 | T114 E119 G154 | T114-R156 PolarHBondContact O-NH1 3.02Å; E119-R156 IonicContact OE1-CZ 2.89Å; E119-R156 IonicContact OE1-NH1 3.88Å; E119-R156 PolarHBondContact OE1-NH1 3.3Å; E119-R156 VanDerWaalsContact OE1-NH1 3.15Å; E119-R156 IonicContact OE1-NH2 3.72Å; E119-R156 PolarHBondContact OE1-NH2 3.39Å; E119-R156 IonicContact OE2-CZ 3.79Å; E119-R156 IonicContact OE2-NH1 2.67Å; E119-R156 PolarHBondContact OE2-NH1 2.9Å; E119-R156 IonicContact OE2-NH2 2.82Å; G154-R156 PolarHBondContact O-N 3.22Å | ||
| 157 | G | 83.9 | Confident | 94.6 | Very high | 8 Ų | 8 | 84.7 Ų | 84.7 | 8% | 0.082 | 46% | 0.456 | C | S | . | . | S | Bend | trans | 60.6 | -170.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A112 T159 | A112-G157 PolarHBondContact O-N 3.1Å; G157-T159 PolarHBondContact O-N 3.28Å; G157-T159 PolarHBondContact O-OG1 2.9Å |
| 158 | P | 93.3 | Very high | 94.6 | Very high | 102 Ų | 102 | 81.3 Ų | 81.3 | 66% | 0.662 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -60.9 | 108.2 | -174.6 | 25.6 | -32.7 | 0 | 0 | 0 | 110.1 | S110 Y111 | S110-P158 CarbonylContact O-C 3.59Å; S110-P158 VanDerWaalsContact O-CA 3.23Å; S110-P158 WeakPolarHBondContact O-CA 3.3Å; Y111-P158 HydrophobicContact CD1-CB 4.43Å |
| 159 | T | 94.8 | Very high | 94.8 | Very high | 56 Ų | 56 | 79.9 Ų | 79.9 | 34% | 0.344 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.5 | 178 | -53.7 | 0 | 0 | 0 | 0 | 108.5 | S110 G157 Y161 | S110-T159 PolarHBondContact N-O 3.44Å; S110-T159 PolarHBondContact O-N 3.26Å; G157-T159 PolarHBondContact O-N 3.28Å; G157-T159 PolarHBondContact O-OG1 2.9Å; T159-Y161 HydrophobicContact CG2-CE2 4.31Å |
| 160 | S | 95.2 | Very high | 94.7 | Very high | 86 Ų | 86 | 80.6 Ų | 80.6 | 60% | 0.601 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 141.3 | 173.6 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 161 | Y | 95.4 | Very high | 94.6 | Very high | 96 Ų | 96 | 82.6 Ų | 82.6 | 38% | 0.376 | 44% | 0.438 | S | S | . | . | trans | -107.1 | 30.1 | 173.9 | -66 | -99.1 | 0 | 0 | 0 | 110.7 | R108 T159 Y163 | R108-Y161 HydrophobicContact CB-CD2 4.43Å; R108-Y161 HydrophobicContact CG-CD2 4.16Å; R108-Y161 PolarHBondContact O-N 3.15Å; T159-Y161 HydrophobicContact CG2-CE2 4.31Å; Y161-Y163 WeakPolarHBondContact O-CD1 3.36Å | ||
| 162 | Y | 96.4 | Very high | 94.6 | Very high | 136 Ų | 136 | 81.7 Ų | 81.7 | 53% | 0.533 | 43% | 0.431 | S | S | . | . | trans | -74.9 | 128.4 | -174.1 | 177.1 | -96.1 | 0 | 0 | 0 | 111 | M164 | Y162-M164 HydrophobicContact CE1-CG 4.31Å; Y162-M164 HydrophobicContact CE2-CE 4.1Å; Y162-M164 HydrophobicContact CE2-CG 4.37Å; Y162-M164 WeakPolarHBondContact OH-CE 3.47Å; Y162-M164 VanDerWaalsContact OH-CG 3.25Å; Y162-M164 WeakPolarHBondContact OH-CG 3.44Å | ||
| 163 | Y | 96.3 | Very high | 94.5 | Very high | 96 Ų | 96 | 78.7 Ų | 78.7 | 38% | 0.376 | 41% | 0.406 | S | S | . | . | trans | -150.4 | 156.8 | 166.8 | 66.6 | -76 | 0 | 0 | 0 | 108.4 | W102 N105 Y161 L165 | W102-Y163 WeakPolarHBondContact CA-OH 3.31Å; W102-Y163 HydrophobicContact CB-CE2 4.04Å; W102-Y163 WeakPolarHBondContact CB-OH 3.3Å; W102-Y163 AromaticContact CD1-CD2 3.66Å; W102-Y163 AromaticContact CD1-CE2 3.42Å; W102-Y163 VanDerWaalsContact CD1-CE2 3.42Å; W102-Y163 AromaticContact CD1-CZ 3.65Å; W102-Y163 VanDerWaalsContact CD1-O 3.29Å; W102-Y163 HydrophobicContact CG-CE2 4.08Å; W102-Y163 PolarHBondContact N-OH 2.91Å; W102-Y163 PolarHBondContact NE1-O 2.92Å; N105-Y163 HydrophobicContact CB-CE1 4.02Å; Y161-Y163 WeakPolarHBondContact O-CD1 3.36Å; Y163-L165 HydrophobicContact CE2-CG 4.49Å | ||
| 164 | M | 95.6 | Very high | 94.4 | Very high | 77 Ų | 77 | 72.3 Ų | 72.3 | 38% | 0.379 | 38% | 0.378 | S | S | . | . | trans | -112.9 | 128.2 | 179.9 | -85.6 | -67.6 | -167.5 | 0 | 0 | 111.3 | W102 Y162 H252 | W102-M164 HydrophobicContact CZ2-SD 3.9Å; Y162-M164 HydrophobicContact CE1-CG 4.31Å; Y162-M164 HydrophobicContact CE2-CE 4.1Å; Y162-M164 HydrophobicContact CE2-CG 4.37Å; Y162-M164 WeakPolarHBondContact OH-CE 3.47Å; Y162-M164 VanDerWaalsContact OH-CG 3.25Å; Y162-M164 WeakPolarHBondContact OH-CG 3.44Å; M164-H252 VanDerWaalsContact CE-NE2 3.26Å; M164-H252 WeakPolarHBondContact CE-NE2 3.45Å | ||
| 165 | L | 94.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 74.5 Ų | 74.5 | 12% | 0.12 | 38% | 0.38 | C | S | . | . | trans | -80.6 | 143.8 | 169.2 | -80.9 | 170.1 | 0 | 0 | 0 | 110.7 | V99 W102 Y163 M167 V169 R170 | V99-L165 HydrophobicContact CG2-CD1 4.17Å; W102-L165 HydrophobicContact CB-CD1 3.27Å; W102-L165 HydrophobicContact CB-CG 3.95Å; W102-L165 HydrophobicContact CD2-CB 4.34Å; W102-L165 HydrophobicContact CD2-CD1 3.63Å; W102-L165 HydrophobicContact CD2-CG 4.09Å; W102-L165 HydrophobicContact CE3-CD1 4.17Å; W102-L165 HydrophobicContact CG-CB 4.3Å; W102-L165 HydrophobicContact CG-CD1 3.26Å; W102-L165 HydrophobicContact CG-CG 3.59Å; Y163-L165 HydrophobicContact CE2-CG 4.49Å; L165-M167 PolarHBondContact O-N 3.41Å; L165-V169 HydrophobicContact CD2-CG1 4.38Å; L165-R170 HydrophobicContact CB-CG 3.79Å; L165-R170 HydrophobicContact CD1-CG 4.41Å; L165-R170 PolarHBondContact O-NE 2.93Å; L165-R170 VanDerWaalsContact O-NE 3.09Å | ||
| 166 | P | 97.3 | Very high | 94.4 | Very high | 83 Ų | 83 | 71.6 Ų | 71.6 | 54% | 0.539 | 36% | 0.361 | S | S | . | . | trans | -52.6 | 140.3 | 172.7 | -24.5 | 33.2 | 0 | 0 | 0 | 111.6 | K168 V169 R170 | P166-K168 VanDerWaalsContact C-N 3.26Å; P166-K168 PolarHBondContact O-N 3.09Å; P166-V169 HydrophobicContact CB-CB 4.49Å; P166-V169 HydrophobicContact CB-CG2 4.06Å; P166-V169 HydrophobicContact CG-CG2 4.22Å; P166-V169 PolarHBondContact O-N 3.21Å; P166-R170 PolarHBondContact O-N 3.06Å | ||
| 167 | M | 95.6 | Very high | 94.4 | Very high | 143 Ų | 143 | 66.7 Ų | 66.7 | 70% | 0.704 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -56.6 | -40.1 | -176.3 | -174.2 | 176.1 | 71.3 | 0 | 0 | 112.5 | L165 V169 R170 A171 | L165-M167 PolarHBondContact O-N 3.41Å; M167-V169 VanDerWaalsContact C-N 3.33Å; M167-V169 PolarHBondContact O-N 3.28Å; M167-R170 PolarHBondContact O-N 3.23Å; M167-A171 PolarHBondContact O-N 2.86Å |
| 168 | K | 95.9 | Very high | 94.9 | Very high | 180 Ų | 180 | 67.5 Ų | 67.5 | 78% | 0.783 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.9 | -37.4 | 178.4 | -64 | -176.3 | 179.6 | -179.2 | 0 | 112.6 | P166 L172 | P166-K168 VanDerWaalsContact C-N 3.26Å; P166-K168 PolarHBondContact O-N 3.09Å; K168-L172 VanDerWaalsContact O-CB 3.23Å; K168-L172 WeakPolarHBondContact O-CB 3.3Å; K168-L172 PolarHBondContact O-N 3.46Å |
| 169 | V | 95.4 | Very high | 95 | Very high | 37 Ų | 37 | 63.2 Ų | 63.2 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68 | -42 | 177.6 | 177 | 0 | 0 | 0 | 0 | 110.4 | I95 L165 P166 M167 L172 G173 | I95-V169 HydrophobicContact CG2-CG1 4.13Å; L165-V169 HydrophobicContact CD2-CG1 4.38Å; P166-V169 HydrophobicContact CB-CB 4.49Å; P166-V169 HydrophobicContact CB-CG2 4.06Å; P166-V169 HydrophobicContact CG-CG2 4.22Å; P166-V169 PolarHBondContact O-N 3.21Å; M167-V169 VanDerWaalsContact C-N 3.33Å; M167-V169 PolarHBondContact O-N 3.28Å; V169-L172 PolarHBondContact O-N 3.18Å; V169-G173 PolarHBondContact O-N 3.43Å |
| 170 | R | 94.1 | Very high | 94.9 | Very high | 36 Ų | 36 | 62 Ų | 62 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 176 | -71.9 | -173.2 | -73.6 | 152.5 | -1 | 112.4 | L165 P166 M167 G173 L174 W250 | L165-R170 HydrophobicContact CB-CG 3.79Å; L165-R170 HydrophobicContact CD1-CG 4.41Å; L165-R170 PolarHBondContact O-NE 2.93Å; L165-R170 VanDerWaalsContact O-NE 3.09Å; P166-R170 PolarHBondContact O-N 3.06Å; M167-R170 PolarHBondContact O-N 3.23Å; R170-G173 PolarHBondContact O-N 3.04Å; R170-L174 PolarHBondContact O-N 3.16Å; R170-W250 HydrophobicContact CB-CZ2 3.57Å; R170-W250 HydrophobicContact CG-CH2 4.25Å; R170-W250 HydrophobicContact CG-CZ2 3.66Å |
| 171 | A | 94.3 | Very high | 94.8 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 40% | 0.397 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | M167 L174 K175 | M167-A171 PolarHBondContact O-N 2.86Å; A171-L174 PolarHBondContact O-N 3.06Å; A171-K175 PolarHBondContact O-N 2.97Å; A171-K175 VanDerWaalsContact O-N 3.15Å |
| 172 | L | 95.1 | Very high | 94.8 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 176.3 | -177.3 | 56.4 | 0 | 0 | 0 | 111.6 | T89 I95 K168 V169 L174 K175 V176 | T89-L172 HydrophobicContact CG2-CD1 3.99Å; I95-L172 HydrophobicContact CD1-CD2 3.33Å; I95-L172 HydrophobicContact CD1-CG 3.87Å; K168-L172 VanDerWaalsContact O-CB 3.23Å; K168-L172 WeakPolarHBondContact O-CB 3.3Å; K168-L172 PolarHBondContact O-N 3.46Å; V169-L172 PolarHBondContact O-N 3.18Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.24Å; L172-K175 PolarHBondContact O-N 2.67Å; L172-V176 HydrophobicContact CD1-CG2 4.28Å; L172-V176 HydrophobicContact CG-CG2 4.46Å; L172-V176 VanDerWaalsContact O-CG2 3.3Å; L172-V176 WeakPolarHBondContact O-CG2 2.99Å; L172-V176 PolarHBondContact O-N 2.99Å |
| 173 | G | 93.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 3% | 0.031 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.9 | -39 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | L96 V169 R170 V176 A177 | L96-G173 VanDerWaalsContact CD2-O 3.27Å; L96-G173 WeakPolarHBondContact CD2-O 3.45Å; V169-G173 PolarHBondContact O-N 3.43Å; R170-G173 PolarHBondContact O-N 3.04Å; G173-V176 PolarHBondContact O-N 2.86Å; G173-A177 WeakPolarHBondContact O-CB 3.34Å; G173-A177 PolarHBondContact O-N 3.5Å |
| 174 | L | 93.6 | Very high | 94.5 | Very high | 53 Ų | 53 | 53.5 Ų | 53.5 | 28% | 0.277 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 175.4 | -175.2 | 65.5 | 0 | 0 | 0 | 112.1 | R170 A171 L172 V176 A177 L178 F268 | R170-L174 PolarHBondContact O-N 3.16Å; A171-L174 PolarHBondContact O-N 3.06Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.24Å; L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 PolarHBondContact O-N 3.34Å; L174-A177 WeakPolarHBondContact O-CB 3.14Å; L174-A177 PolarHBondContact O-N 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.24Å; L174-L178 PolarHBondContact O-N 3.02Å; L174-F268 HydrophobicContact CD1-CE1 3.74Å; L174-F268 HydrophobicContact CD1-CZ 3.84Å |
| 175 | K | 94.6 | Very high | 94.4 | Very high | 72 Ų | 72 | 56.4 Ų | 56.4 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 176 | -67.8 | 176.6 | 166 | -148.4 | 0 | 112 | D85 V86 A171 L172 A177 L178 T179 | D85-K175 WeakPolarHBondContact O-CD 3.38Å; D85-K175 WeakPolarHBondContact O-CE 3.41Å; D85-K175 PolarHBondContact O-NZ 2.73Å; V86-K175 VanDerWaalsContact O-O 3.12Å; A171-K175 PolarHBondContact O-N 2.97Å; A171-K175 VanDerWaalsContact O-N 3.15Å; L172-K175 PolarHBondContact O-N 2.67Å; K175-A177 VanDerWaalsContact C-N 3.33Å; K175-A177 PolarHBondContact O-N 3.04Å; K175-L178 PolarHBondContact O-N 3.24Å; K175-T179 WeakPolarHBondContact O-CB 3.26Å; K175-T179 PolarHBondContact O-N 3.43Å; K175-T179 PolarHBondContact O-OG1 3.43Å |
| 176 | V | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 177.4 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | T89 R92 L96 L172 G173 L174 T179 V180 | T89-V176 HydrophobicContact CG2-CG2 4.4Å; R92-V176 HydrophobicContact CB-CG2 4.12Å; L96-V176 HydrophobicContact CD1-CG1 3.72Å; L96-V176 HydrophobicContact CD2-CB 4.28Å; L96-V176 HydrophobicContact CD2-CG1 4.24Å; L96-V176 HydrophobicContact CG-CB 4.21Å; L96-V176 HydrophobicContact CG-CG1 3.7Å; L172-V176 HydrophobicContact CD1-CG2 4.28Å; L172-V176 HydrophobicContact CG-CG2 4.46Å; L172-V176 VanDerWaalsContact O-CG2 3.3Å; L172-V176 WeakPolarHBondContact O-CG2 2.99Å; L172-V176 PolarHBondContact O-N 2.99Å; G173-V176 PolarHBondContact O-N 2.86Å; L174-V176 VanDerWaalsContact C-N 3.32Å; L174-V176 PolarHBondContact O-N 3.34Å; V176-T179 PolarHBondContact O-N 2.76Å; V176-V180 HydrophobicContact CG1-CG2 4.27Å; V176-V180 WeakPolarHBondContact O-CB 3.36Å; V176-V180 VanDerWaalsContact O-CG2 3.29Å; V176-V180 WeakPolarHBondContact O-CG2 3.21Å; V176-V180 PolarHBondContact O-N 3.08Å |
| 177 | A | 93.1 | Very high | 94.2 | Very high | 16 Ų | 16 | 54.1 Ų | 54.1 | 13% | 0.132 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L96 G173 L174 K175 V180 K181 | L96-A177 HydrophobicContact CD2-CB 3.77Å; G173-A177 WeakPolarHBondContact O-CB 3.34Å; G173-A177 PolarHBondContact O-N 3.5Å; L174-A177 WeakPolarHBondContact O-CB 3.14Å; L174-A177 PolarHBondContact O-N 3.25Å; K175-A177 VanDerWaalsContact C-N 3.33Å; K175-A177 PolarHBondContact O-N 3.04Å; A177-V180 PolarHBondContact O-N 3.38Å; A177-K181 WeakPolarHBondContact O-CG 3.48Å; A177-K181 PolarHBondContact O-N 3.4Å |
| 178 | L | 94.3 | Very high | 94.1 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 176.3 | -68.6 | 174.5 | 0 | 0 | 0 | 112 | V86 F87 L174 K175 K181 L182 I279 | V86-L178 HydrophobicContact CG1-CD1 4.05Å; F87-L178 HydrophobicContact CD1-CB 4.14Å; F87-L178 HydrophobicContact CE1-CB 4.18Å; F87-L178 HydrophobicContact CE1-CD1 4.18Å; F87-L178 HydrophobicContact CE1-CD2 4.47Å; F87-L178 HydrophobicContact CZ-CD1 4.44Å; L174-L178 WeakPolarHBondContact O-CG 3.24Å; L174-L178 PolarHBondContact O-N 3.02Å; K175-L178 PolarHBondContact O-N 3.24Å; L178-K181 PolarHBondContact O-N 2.9Å; L178-L182 WeakPolarHBondContact O-CB 3.32Å; L178-L182 PolarHBondContact O-N 2.93Å; L178-I279 HydrophobicContact CD2-CD1 3.96Å |
| 179 | T | 94.9 | Very high | 94 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 8% | 0.08 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 177.7 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | V86 F87 T89 K175 V176 K181 L182 A183 | V86-T179 PolarHBondContact O-OG1 3.06Å; F87-T179 WeakPolarHBondContact O-CA 3.24Å; F87-T179 WeakPolarHBondContact O-CB 3.19Å; F87-T179 VanDerWaalsContact O-CG2 3.28Å; F87-T179 WeakPolarHBondContact O-CG2 3.24Å; F87-T179 PolarHBondContact O-OG1 2.84Å; T89-T179 PolarHBondContact N-OG1 2.96Å; T89-T179 VanDerWaalsContact N-OG1 3.11Å; T89-T179 VanDerWaalsContact O-CG2 3.25Å; T89-T179 WeakPolarHBondContact O-CG2 3.29Å; K175-T179 WeakPolarHBondContact O-CB 3.26Å; K175-T179 PolarHBondContact O-N 3.43Å; K175-T179 PolarHBondContact O-OG1 3.43Å; V176-T179 PolarHBondContact O-N 2.76Å; T179-K181 VanDerWaalsContact C-N 3.33Å; T179-K181 PolarHBondContact O-N 3.42Å; T179-L182 PolarHBondContact O-N 3.35Å; T179-A183 VanDerWaalsContact O-CB 3.31Å; T179-A183 WeakPolarHBondContact O-CB 3.41Å; T179-A183 PolarHBondContact O-N 2.75Å |
| 180 | V | 93.9 | Very high | 93.9 | Very high | 29 Ų | 29 | 38.8 Ų | 38.8 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 178 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | P91 L96 V176 A177 A183 Q184 | P91-V180 HydrophobicContact CB-CG2 4.37Å; L96-V180 HydrophobicContact CD1-CG2 4.26Å; V176-V180 HydrophobicContact CG1-CG2 4.27Å; V176-V180 WeakPolarHBondContact O-CB 3.36Å; V176-V180 VanDerWaalsContact O-CG2 3.29Å; V176-V180 WeakPolarHBondContact O-CG2 3.21Å; V176-V180 PolarHBondContact O-N 3.08Å; A177-V180 PolarHBondContact O-N 3.38Å; V180-A183 PolarHBondContact O-N 2.95Å; V180-Q184 HydrophobicContact CG1-CG 4.39Å; V180-Q184 WeakPolarHBondContact O-CB 3.34Å; V180-Q184 VanDerWaalsContact O-CG 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.26Å; V180-Q184 PolarHBondContact O-N 3.5Å |
| 181 | K | 93 | Very high | 93.6 | Very high | 20 Ų | 20 | 39 Ų | 39 | 9% | 0.087 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 177.9 | -77 | -73 | 170.3 | -169 | 0 | 113 | A177 L178 T179 Q184 D185 D186 L187 M274 K275 | A177-K181 WeakPolarHBondContact O-CG 3.48Å; A177-K181 PolarHBondContact O-N 3.4Å; L178-K181 PolarHBondContact O-N 2.9Å; T179-K181 VanDerWaalsContact C-N 3.33Å; T179-K181 PolarHBondContact O-N 3.42Å; K181-Q184 PolarHBondContact O-N 3.38Å; K181-D185 PolarHBondContact O-N 3.19Å; K181-D186 HydrophobicContact CD-CB 3.58Å; K181-D186 IonicContact NZ-OD2 2.75Å; K181-D186 PolarHBondContact NZ-OD2 3.45Å; K181-D186 PolarHBondContact O-N 3.44Å; K181-L187 HydrophobicContact CB-CB 4.18Å; K181-L187 PolarHBondContact O-N 3.48Å; K181-M274 PolarHBondContact NZ-O 3.03Å; K181-K275 PolarHBondContact NZ-O 2.75Å |
| 182 | L | 94.4 | Very high | 93.3 | Very high | 27 Ų | 27 | 37 Ų | 37 | 14% | 0.141 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.8 | -42.9 | 174.2 | -176.5 | 61 | 0 | 0 | 0 | 112 | V62 A64 L82 F87 L178 T179 Q184 D185 L187 | V62-L182 HydrophobicContact CG1-CD2 3.83Å; A64-L182 HydrophobicContact CB-CD1 4.39Å; L82-L182 HydrophobicContact CD1-CD2 3.97Å; F87-L182 HydrophobicContact CB-CD2 3.84Å; F87-L182 HydrophobicContact CD1-CD2 4.4Å; L178-L182 WeakPolarHBondContact O-CB 3.32Å; L178-L182 PolarHBondContact O-N 2.93Å; T179-L182 PolarHBondContact O-N 3.35Å; L182-Q184 PolarHBondContact O-N 2.79Å; L182-D185 PolarHBondContact O-N 2.9Å; L182-L187 HydrophobicContact CB-CB 4.39Å; L182-L187 HydrophobicContact CB-CD2 3.97Å; L182-L187 HydrophobicContact CD1-CB 4.48Å; L182-L187 HydrophobicContact CD1-CD2 4.24Å |
| 183 | A | 94 | Very high | 93.1 | Very high | 81 Ų | 81 | 34.7 Ų | 34.7 | 67% | 0.669 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -70.2 | -16.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | T179 V180 | T179-A183 VanDerWaalsContact O-CB 3.31Å; T179-A183 WeakPolarHBondContact O-CB 3.41Å; T179-A183 PolarHBondContact O-N 2.75Å; V180-A183 PolarHBondContact O-N 2.95Å |
| 184 | Q | 93.4 | Very high | 92.9 | Very high | 109 Ų | 109 | 38.1 Ų | 38.1 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 4.2 | 176.2 | -71.8 | 179.7 | -38.8 | 0 | 0 | 113 | V180 K181 L182 D186 | V180-Q184 HydrophobicContact CG1-CG 4.39Å; V180-Q184 WeakPolarHBondContact O-CB 3.34Å; V180-Q184 VanDerWaalsContact O-CG 3.24Å; V180-Q184 WeakPolarHBondContact O-CG 3.26Å; V180-Q184 PolarHBondContact O-N 3.5Å; K181-Q184 PolarHBondContact O-N 3.38Å; L182-Q184 PolarHBondContact O-N 2.79Å; Q184-D186 HydrophobicContact CB-CB 4.42Å; Q184-D186 PolarHBondContact O-N 3.21Å |
| 185 | D | 93 | Very high | 92.8 | Very high | 138 Ų | 138 | 36.1 Ų | 36.1 | 74% | 0.738 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 23.1 | -174.1 | -56.2 | -43.3 | 0 | 0 | 0 | 114.1 | K181 L182 | K181-D185 PolarHBondContact O-N 3.19Å; L182-D185 PolarHBondContact O-N 2.9Å |
| 186 | D | 93.4 | Very high | 92.6 | Very high | 44 Ų | 44 | 36.2 Ų | 36.2 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | trans | -93.6 | -8.7 | -179.2 | -85 | -13 | 0 | 0 | 0 | 112.5 | K181 Q184 K275 A276 Q277 | K181-D186 HydrophobicContact CD-CB 3.58Å; K181-D186 IonicContact NZ-OD2 2.75Å; K181-D186 PolarHBondContact NZ-OD2 3.45Å; K181-D186 PolarHBondContact O-N 3.44Å; Q184-D186 HydrophobicContact CB-CB 4.42Å; Q184-D186 PolarHBondContact O-N 3.21Å; D186-K275 WeakPolarHBondContact CB-O 3.47Å; D186-K275 VanDerWaalsContact OD2-O 3.07Å; D186-A276 CarbonylContact O-C 3.16Å; D186-A276 WeakPolarHBondContact O-CA 3.4Å; D186-Q277 PolarHBondContact O-N 2.9Å | ||
| 187 | L | 93.8 | Very high | 92.4 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 116.3 | -177.2 | -178 | 66.8 | 0 | 0 | 0 | 110.5 | F87 K181 L182 Q277 I279 | F87-L187 HydrophobicContact CD1-CD2 4.01Å; F87-L187 HydrophobicContact CE1-CD2 3.87Å; K181-L187 HydrophobicContact CB-CB 4.18Å; K181-L187 PolarHBondContact O-N 3.48Å; L182-L187 HydrophobicContact CB-CB 4.39Å; L182-L187 HydrophobicContact CB-CD2 3.97Å; L182-L187 HydrophobicContact CD1-CB 4.48Å; L182-L187 HydrophobicContact CD1-CD2 4.24Å; L187-Q277 WeakPolarHBondContact CA-O 3.16Å; L187-Q277 HydrophobicContact CD1-CB 4.36Å; L187-Q277 HydrophobicContact CD1-CG 4.47Å; L187-I279 HydrophobicContact CD1-CD1 3.63Å; L187-I279 HydrophobicContact CD1-CG1 3.88Å |
| 188 | H | 94 | Very high | 92.3 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.5 | 177.2 | -58.1 | -87.9 | 0 | 0 | 0 | 110.6 | E67 M190 W212 Q277 V278 I279 | E67-H188 IonicContact OE1-CE1 3.4Å; E67-H188 IonicContact OE1-CG 2.84Å; E67-H188 IonicContact OE1-ND1 3.81Å; E67-H188 PolarHBondContact OE1-ND1 2.92Å; H188-M190 HydrophobicContact CB-CE 3.55Å; H188-W212 AromaticContact CD2-CD1 3.71Å; H188-W212 AromaticContact CD2-NE1 3.66Å; H188-W212 AromaticContact CE1-CD1 3.5Å; H188-W212 VanDerWaalsContact CE1-CD1 3.5Å; H188-W212 AromaticContact CE1-NE1 3.35Å; H188-W212 PolarHBondContact CE1-NE1 3.32Å; H188-W212 VanDerWaalsContact CE1-NE1 3.35Å; H188-W212 AromaticContact CG-NE1 3.63Å; H188-W212 AromaticContact ND1-NE1 3.42Å; H188-W212 PolarHBondContact ND1-NE1 2.94Å; H188-W212 AromaticContact NE2-CD1 3.25Å; H188-W212 AromaticContact NE2-NE1 3.48Å; H188-W212 PolarHBondContact NE2-NE1 3.27Å; H188-Q277 PolarHBondContact N-O 3.02Å; H188-V278 HydrophobicContact CB-CG2 4.32Å; H188-V278 WeakPolarHBondContact O-CA 3.25Å; H188-I279 PolarHBondContact O-N 3.09Å |
| 189 | I | 94.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.1 | 179.5 | -64.7 | -179.8 | 0 | 0 | 0 | 109 | A64 V66 E67 A80 L82 V281 | A64-I189 HydrophobicContact CB-CD1 3.58Å; A64-I189 HydrophobicContact CB-CG1 4.42Å; V66-I189 WeakPolarHBondContact CA-O 3.43Å; V66-I189 HydrophobicContact CG2-CG2 4.12Å; E67-I189 PolarHBondContact N-O 2.58Å; A80-I189 HydrophobicContact CB-CD1 4.44Å; L82-I189 HydrophobicContact CD1-CD1 3.95Å; L82-I189 HydrophobicContact CD2-CD1 3.77Å; L82-I189 HydrophobicContact CG-CD1 4.25Å; I189-V281 HydrophobicContact CG2-CB 4.03Å; I189-V281 HydrophobicContact CG2-CG2 3.45Å; I189-V281 VanDerWaalsContact CG2-CG2 3.45Å |
| 190 | M | 92 | Very high | 92.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 146.9 | 178.7 | -57.1 | -67.8 | 130.6 | 0 | 0 | 111.4 | E67 L69 H188 L193 W212 V278 I279 V281 | E67-M190 HydrophobicContact CB-CE 3.54Å; E67-M190 HydrophobicContact CB-SD 3.82Å; E67-M190 HydrophobicContact CG-CE 3.62Å; E67-M190 WeakPolarHBondContact O-CA 3.46Å; E67-M190 WeakPolarHBondContact OE2-CE 3.32Å; L69-M190 HydrophobicContact CD2-SD 3.76Å; L69-M190 HydrophobicContact CG-SD 4.1Å; H188-M190 HydrophobicContact CB-CE 3.55Å; M190-L193 HydrophobicContact CB-CD2 4.2Å; M190-L193 HydrophobicContact CG-CD2 4.21Å; M190-W212 HydrophobicContact CE-CH2 4.15Å; M190-W212 HydrophobicContact CE-CZ2 3.82Å; M190-V278 HydrophobicContact CB-CG1 4.38Å; M190-V278 HydrophobicContact CE-CG1 3.96Å; M190-V278 HydrophobicContact CG-CG1 3.17Å; M190-V278 HydrophobicContact SD-CG1 4.12Å; M190-I279 PolarHBondContact N-O 2.93Å; M190-V281 PolarHBondContact O-N 2.92Å |
| 191 | D | 88.8 | Confident | 92.3 | Very high | 40 Ų | 40 | 47 Ų | 47 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -72.3 | -45.3 | 169.9 | 74.1 | -29 | 0 | 0 | 0 | 112 | V66 E67 S68 | V66-D191 HydrophobicContact CG1-CB 3.98Å; E67-D191 PolarHBondContact O-N 3.38Å; S68-D191 PolarHBondContact OG-OD1 3.26Å; S68-D191 VanDerWaalsContact OG-OD1 3.09Å |
| 192 | S | 88.1 | Confident | 92.3 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | trans | -150.7 | 142.8 | -171.9 | 61.9 | 0 | 0 | 0 | 0 | 109.2 | E194 | S192-E194 PolarHBondContact O-N 2.6Š| ||
| 193 | L | 89.9 | Confident | 92.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -93.7 | 28 | 175.6 | -62.9 | 177.7 | 0 | 0 | 0 | 111.8 | L69 M190 D220 P227 I230 L242 V278 R280 | L69-L193 HydrophobicContact CD1-CB 4.46Å; L69-L193 HydrophobicContact CD1-CD2 3.73Å; M190-L193 HydrophobicContact CB-CD2 4.2Å; M190-L193 HydrophobicContact CG-CD2 4.21Å; L193-D220 HydrophobicContact CD1-CB 3.83Å; L193-P227 HydrophobicContact CB-CG 4.47Å; L193-P227 WeakPolarHBondContact O-CG 3.42Å; L193-I230 HydrophobicContact CB-CG2 4.48Å; L193-I230 WeakPolarHBondContact O-CB 3.01Å; L193-L242 HydrophobicContact CD1-CD1 4.26Å; L193-V278 HydrophobicContact CD2-CG1 4.3Å; L193-R280 HydrophobicContact CD1-CB 3.87Å; L193-R280 HydrophobicContact CD1-CG 4.46Å; L193-R280 HydrophobicContact CD2-CB 4.35Å; L193-R280 HydrophobicContact CG-CB 3.8Å; L193-R280 HydrophobicContact CG-CG 4Å | ||
| 194 | E | 89.6 | Confident | 92.2 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 35% | 0.346 | 24% | 0.238 | S | C | . | . | trans | -82.3 | 126 | 178 | -73.3 | 175.6 | -152.6 | 0 | 0 | 110.3 | R70 S192 P227 | R70-E194 IonicContact CZ-OE2 2.88Å; R70-E194 IonicContact NH1-OE2 3.15Å; R70-E194 PolarHBondContact NH1-OE2 3.43Å; R70-E194 VanDerWaalsContact NH2-CD 3.34Å; R70-E194 IonicContact NH2-OE1 3.54Å; R70-E194 IonicContact NH2-OE2 2.8Å; R70-E194 PolarHBondContact NH2-OE2 3.14Å; S192-E194 PolarHBondContact O-N 2.6Å; E194-P227 HydrophobicContact CG-CB 4.08Å; E194-P227 HydrophobicContact CG-CG 4.15Å | ||
| 195 | L | 91.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | trans | -97.2 | 147.5 | 172.5 | -61.6 | 177.5 | 0 | 0 | 0 | 110.1 | L69 T197 Y202 L203 I230 A233 | L69-L195 HydrophobicContact CB-CD2 3.8Å; L69-L195 HydrophobicContact CD1-CD2 4.12Å; L195-T197 WeakPolarHBondContact CB-O 3.46Å; L195-T197 PolarHBondContact O-N 3.15Å; L195-Y202 HydrophobicContact CD2-CD1 4.16Å; L195-Y202 HydrophobicContact CD2-CE1 3.96Å; L195-L203 HydrophobicContact CD1-CD1 4.42Å; L195-L203 HydrophobicContact CD2-CD1 4.13Å; L195-I230 HydrophobicContact CD1-CB 4.47Å; L195-I230 HydrophobicContact CD1-CD1 3.52Å; L195-I230 HydrophobicContact CD2-CD1 4.26Å; L195-I230 HydrophobicContact CG-CD1 3.87Å; L195-A233 HydrophobicContact CD1-CB 3.8Å | ||
| 196 | P | 91.1 | Very high | 92.3 | Very high | 75 Ų | 75 | 36.9 Ų | 36.9 | 49% | 0.487 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -67.9 | -28.2 | 173.8 | 30.9 | -34.7 | 0 | 0 | 0 | 111.5 | R70 Y202 | R70-P196 WeakPolarHBondContact O-CG 3.21Å; P196-Y202 HydrophobicContact CG-CD1 4.5Å; P196-Y202 HydrophobicContact CG-CD2 4.48Å; P196-Y202 HydrophobicContact CG-CE1 3.86Å; P196-Y202 HydrophobicContact CG-CE2 3.81Å; P196-Y202 VanDerWaalsContact CG-CZ 3.48Å |
| 197 | T | 90.5 | Very high | 92.3 | Very high | 64 Ų | 64 | 34.9 Ų | 34.9 | 39% | 0.393 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -139.7 | 141.9 | -179.7 | -47.9 | 0 | 0 | 0 | 0 | 109.2 | L195 D199 | L195-T197 WeakPolarHBondContact CB-O 3.46Å; L195-T197 PolarHBondContact O-N 3.15Å; T197-D199 HydrophobicContact CG2-CB 3.98Å; T197-D199 WeakPolarHBondContact CG2-OD2 3.48Å; T197-D199 PolarHBondContact O-N 2.99Å; T197-D199 VanDerWaalsContact O-N 3.13Å |
| 198 | G | 91.5 | Very high | 92.2 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 16% | 0.155 | 22% | 0.22 | C | C | . | . | trans | -76.3 | 15.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 199 | D | 93.3 | Very high | 92.3 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 46% | 0.46 | 24% | 0.235 | S | C | . | . | trans | -82.1 | 129.1 | -174.6 | -73.2 | -25.1 | 0 | 0 | 0 | 111.1 | T197 Q201 Y202 | T197-D199 HydrophobicContact CG2-CB 3.98Å; T197-D199 WeakPolarHBondContact CG2-OD2 3.48Å; T197-D199 PolarHBondContact O-N 2.99Å; T197-D199 VanDerWaalsContact O-N 3.13Å; D199-Q201 PolarHBondContact O-N 3.11Å; D199-Y202 WeakPolarHBondContact O-CB 3.12Å; D199-Y202 PolarHBondContact O-N 3Å | ||
| 200 | P | 94.6 | Very high | 92.2 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 20% | 0.195 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -27.4 | 179.5 | 26.3 | -34.2 | 0 | 0 | 0 | 112.3 | Y202 L203 T204 R236 L237 | P200-Y202 VanDerWaalsContact C-N 3.35Å; P200-L203 PolarHBondContact O-N 2.79Å; P200-T204 PolarHBondContact O-N 3.49Å; P200-T204 PolarHBondContact O-OG1 3.13Å; P200-R236 HydrophobicContact CB-CB 4.47Å; P200-R236 HydrophobicContact CG-CB 4.49Å; P200-L237 HydrophobicContact CB-CD1 3.92Å; P200-L237 HydrophobicContact CB-CD2 3.98Å; P200-L237 HydrophobicContact CB-CG 3.83Å |
| 201 | Q | 94.1 | Very high | 92.2 | Very high | 115 Ų | 115 | 57.3 Ų | 57.3 | 54% | 0.537 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.1 | -36.2 | 178.8 | -173.8 | 64 | 15.8 | 0 | 0 | 112 | D199 L203 T204 E205 | D199-Q201 PolarHBondContact O-N 3.11Å; Q201-L203 VanDerWaalsContact C-N 3.31Å; Q201-L203 PolarHBondContact O-N 3.37Å; Q201-T204 WeakPolarHBondContact CA-OG1 3.42Å; Q201-T204 PolarHBondContact O-N 3.44Å; Q201-T204 PolarHBondContact O-OG1 3.15Å; Q201-E205 HydrophobicContact CG-CG 4.44Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.16Å; Q201-E205 PolarHBondContact NE2-OE1 3.19Å; Q201-E205 WeakPolarHBondContact O-CB 3.32Å; Q201-E205 VanDerWaalsContact O-CG 3.32Å; Q201-E205 WeakPolarHBondContact O-CG 3.41Å; Q201-E205 PolarHBondContact O-N 2.91Å |
| 202 | Y | 93.8 | Very high | 92.3 | Very high | 29 Ų | 29 | 55.7 Ų | 55.7 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 174.9 | 176.6 | -92.3 | 0 | 0 | 0 | 111 | L69 R70 F72 L195 P196 D199 P200 T204 E205 L206 | L69-Y202 PolarHBondContact O-OH 2.73Å; R70-Y202 PolarHBondContact O-OH 3.46Å; F72-Y202 HydrophobicContact CD2-CE2 4.22Å; F72-Y202 HydrophobicContact CE1-CD2 4.33Å; F72-Y202 HydrophobicContact CE1-CE2 4.1Å; F72-Y202 AromaticContact CE2-CD2 3.98Å; F72-Y202 HydrophobicContact CE2-CD2 3.98Å; F72-Y202 AromaticContact CE2-CE2 3.43Å; F72-Y202 HydrophobicContact CE2-CE2 3.43Å; F72-Y202 VanDerWaalsContact CE2-CE2 3.43Å; F72-Y202 AromaticContact CZ-CD2 3.53Å; F72-Y202 HydrophobicContact CZ-CD2 3.53Å; F72-Y202 AromaticContact CZ-CE2 3.36Å; F72-Y202 HydrophobicContact CZ-CE2 3.36Å; L195-Y202 HydrophobicContact CD2-CD1 4.16Å; L195-Y202 HydrophobicContact CD2-CE1 3.96Å; P196-Y202 HydrophobicContact CG-CD1 4.5Å; P196-Y202 HydrophobicContact CG-CD2 4.48Å; P196-Y202 HydrophobicContact CG-CE1 3.86Å; P196-Y202 HydrophobicContact CG-CE2 3.81Å; P196-Y202 VanDerWaalsContact CG-CZ 3.48Å; D199-Y202 WeakPolarHBondContact O-CB 3.12Å; D199-Y202 PolarHBondContact O-N 3Å; P200-Y202 VanDerWaalsContact C-N 3.35Å; Y202-T204 PolarHBondContact O-N 3.16Å; Y202-E205 PolarHBondContact O-N 3Å; Y202-L206 HydrophobicContact CE1-CD1 3.82Å; Y202-L206 VanDerWaalsContact O-CB 3.26Å; Y202-L206 WeakPolarHBondContact O-CB 3.44Å; Y202-L206 PolarHBondContact O-N 3.39Å |
| 203 | L | 93 | Very high | 92.4 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.8 | -38.4 | -178.8 | -169.4 | 71.3 | 0 | 0 | 0 | 112.4 | L195 P200 Q201 A207 I230 T234 L237 F240 | L195-L203 HydrophobicContact CD1-CD1 4.42Å; L195-L203 HydrophobicContact CD2-CD1 4.13Å; P200-L203 PolarHBondContact O-N 2.79Å; Q201-L203 VanDerWaalsContact C-N 3.31Å; Q201-L203 PolarHBondContact O-N 3.37Å; L203-A207 WeakPolarHBondContact O-CB 3.34Å; L203-A207 PolarHBondContact O-N 3.5Å; L203-A207 VanDerWaalsContact O-N 3.08Å; L203-I230 HydrophobicContact CD1-CD1 4.11Å; L203-I230 HydrophobicContact CD2-CD1 4.28Å; L203-T234 HydrophobicContact CD2-CG2 4.04Å; L203-L237 HydrophobicContact CD2-CD1 4.07Å; L203-F240 HydrophobicContact CD2-CB 4.1Å; L203-F240 HydrophobicContact CD2-CD1 3.6Å; L203-F240 HydrophobicContact CD2-CD2 4.49Å; L203-F240 HydrophobicContact CD2-CE1 4.16Å; L203-F240 HydrophobicContact CD2-CG 3.8Å; L203-F240 HydrophobicContact CG-CD1 3.96Å; L203-F240 HydrophobicContact CG-CE1 3.99Å; L203-F240 HydrophobicContact CG-CG 4.47Å |
| 204 | T | 93.8 | Very high | 92.3 | Very high | 39 Ų | 39 | 62.1 Ų | 62.1 | 24% | 0.239 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69 | -42.5 | 177.4 | 52 | 0 | 0 | 0 | 0 | 111.7 | P200 Q201 Y202 A207 H208 L237 F240 | P200-T204 PolarHBondContact O-N 3.49Å; P200-T204 PolarHBondContact O-OG1 3.13Å; Q201-T204 WeakPolarHBondContact CA-OG1 3.42Å; Q201-T204 PolarHBondContact O-N 3.44Å; Q201-T204 PolarHBondContact O-OG1 3.15Å; Y202-T204 PolarHBondContact O-N 3.16Å; T204-A207 PolarHBondContact O-N 3.26Å; T204-H208 WeakPolarHBondContact O-CB 3.21Å; T204-H208 PolarHBondContact O-N 3.34Å; T204-L237 HydrophobicContact CG2-CD1 4.03Å; T204-L237 HydrophobicContact CG2-CD2 4.04Å; T204-F240 HydrophobicContact CG2-CE2 3.96Å |
| 205 | E | 94.3 | Very high | 92.4 | Very high | 92 Ų | 92 | 59.8 Ų | 59.8 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 176.1 | -73.2 | 174.4 | -173.2 | 0 | 0 | 111.7 | F72 Q201 Y202 A207 H208 Y209 | F72-E205 HydrophobicContact CE1-CB 4.16Å; Q201-E205 HydrophobicContact CG-CG 4.44Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.16Å; Q201-E205 PolarHBondContact NE2-OE1 3.19Å; Q201-E205 WeakPolarHBondContact O-CB 3.32Å; Q201-E205 VanDerWaalsContact O-CG 3.32Å; Q201-E205 WeakPolarHBondContact O-CG 3.41Å; Q201-E205 PolarHBondContact O-N 2.91Å; Y202-E205 PolarHBondContact O-N 3Å; E205-A207 PolarHBondContact O-N 3.46Å; E205-H208 PolarHBondContact O-N 3.43Å; E205-Y209 WeakPolarHBondContact O-CB 3.21Å; E205-Y209 PolarHBondContact O-N 3.11Å |
| 206 | L | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 176.4 | -176.6 | 145.7 | 0 | 0 | 0 | 111.6 | L69 F72 Y202 H208 Y209 R210 W212 | L69-L206 HydrophobicContact CD2-CD2 4.16Å; F72-L206 HydrophobicContact CD1-CB 4.13Å; F72-L206 HydrophobicContact CD1-CG 4.49Å; F72-L206 HydrophobicContact CE1-CB 4.03Å; Y202-L206 HydrophobicContact CE1-CD1 3.82Å; Y202-L206 VanDerWaalsContact O-CB 3.26Å; Y202-L206 WeakPolarHBondContact O-CB 3.44Å; Y202-L206 PolarHBondContact O-N 3.39Å; L206-H208 VanDerWaalsContact C-N 3.31Å; L206-H208 PolarHBondContact O-N 3.4Å; L206-Y209 PolarHBondContact O-N 3.26Å; L206-R210 PolarHBondContact O-N 3.4Å; L206-W212 HydrophobicContact CD2-CE3 4.24Å; L206-W212 HydrophobicContact CD2-CH2 3.49Å; L206-W212 VanDerWaalsContact CD2-CH2 3.49Å; L206-W212 HydrophobicContact CD2-CZ2 4.31Å; L206-W212 HydrophobicContact CD2-CZ3 3.44Å; L206-W212 VanDerWaalsContact CD2-CZ3 3.44Å |
| 207 | A | 92.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.3 | -34.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L203 T204 E205 R211 W212 F240 | L203-A207 WeakPolarHBondContact O-CB 3.34Å; L203-A207 PolarHBondContact O-N 3.5Å; L203-A207 VanDerWaalsContact O-N 3.08Å; T204-A207 PolarHBondContact O-N 3.26Å; E205-A207 PolarHBondContact O-N 3.46Å; A207-R211 PolarHBondContact O-N 2.82Å; A207-W212 HydrophobicContact CB-CB 4.45Å; A207-W212 HydrophobicContact CB-CE3 3.98Å; A207-W212 PolarHBondContact O-N 3.13Å; A207-F240 HydrophobicContact CB-CE1 3.84Å; A207-F240 HydrophobicContact CB-CZ 3.51Å |
| 208 | H | 93.4 | Very high | 92.7 | Very high | 158 Ų | 158 | 53 Ų | 53 | 73% | 0.731 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.2 | -43.9 | 175.1 | -177.6 | -87.2 | 0 | 0 | 0 | 111.5 | T204 E205 L206 R211 | T204-H208 WeakPolarHBondContact O-CB 3.21Å; T204-H208 PolarHBondContact O-N 3.34Å; E205-H208 PolarHBondContact O-N 3.43Å; L206-H208 VanDerWaalsContact C-N 3.31Å; L206-H208 PolarHBondContact O-N 3.4Å; H208-R211 PolarHBondContact O-N 3.17Å |
| 209 | Y | 94.4 | Very high | 92.7 | Very high | 119 Ų | 119 | 52.7 Ų | 52.7 | 47% | 0.467 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.2 | -48.9 | 176.9 | -179 | -94 | 0 | 0 | 0 | 111.5 | F72 E205 L206 R211 | F72-Y209 HydrophobicContact CB-CD1 4.46Å; E205-Y209 WeakPolarHBondContact O-CB 3.21Å; E205-Y209 PolarHBondContact O-N 3.11Å; L206-Y209 PolarHBondContact O-N 3.26Å; Y209-R211 VanDerWaalsContact C-N 3.25Å; Y209-R211 PolarHBondContact O-N 3.39Å |
| 210 | R | 92.6 | Very high | 92.6 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 8% | 0.079 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -3 | 178.9 | -63.7 | -171.6 | -177 | -179.2 | 9.2 | 114.8 | E67 S68 G71 F72 Q74 L206 W212 | E67-R210 IonicContact OE2-CZ 3.6Å; E67-R210 IonicContact OE2-NH1 3.81Å; E67-R210 PolarHBondContact OE2-NH1 3.11Å; S68-R210 PolarHBondContact O-NH1 3.34Å; S68-R210 VanDerWaalsContact O-NH1 3.12Å; S68-R210 PolarHBondContact O-NH2 2.97Å; G71-R210 PolarHBondContact O-NH2 3.08Å; F72-R210 PolarHBondContact O-NE 3.4Å; Q74-R210 PolarHBondContact O-NH2 3.25Å; L206-R210 PolarHBondContact O-N 3.4Å; R210-W212 VanDerWaalsContact C-N 3.3Å; R210-W212 HydrophobicContact CB-CD2 4.23Å; R210-W212 HydrophobicContact CB-CG 4.24Å; R210-W212 HydrophobicContact CB-CZ2 4.43Å; R210-W212 VanDerWaalsContact CD-CZ2 3.45Å; R210-W212 PolarHBondContact O-N 3.1Å |
| 211 | R | 92.9 | Very high | 92.3 | Very high | 224 Ų | 224 | 50 Ų | 50 | 85% | 0.845 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 34.3 | 178.2 | -52.3 | -179.4 | 178.6 | -173.2 | -0.8 | 114.5 | A207 H208 Y209 G213 | A207-R211 PolarHBondContact O-N 2.82Å; H208-R211 PolarHBondContact O-N 3.17Å; Y209-R211 VanDerWaalsContact C-N 3.25Å; Y209-R211 PolarHBondContact O-N 3.39Å; R211-G213 PolarHBondContact O-N 3.42Å; R211-G213 VanDerWaalsContact O-N 3.16Å |
| 212 | W | 90.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | trans | -66.5 | -13.5 | 175.2 | -67.7 | -14.1 | 0 | 0 | 0 | 113.8 | E67 L69 H188 M190 L206 A207 R210 V216 A276 V278 | E67-W212 WeakPolarHBondContact OE2-CZ2 3.34Å; L69-W212 HydrophobicContact CD2-CH2 3.53Å; L69-W212 HydrophobicContact CD2-CZ3 4.12Å; H188-W212 AromaticContact CD2-CD1 3.71Å; H188-W212 AromaticContact CD2-NE1 3.66Å; H188-W212 AromaticContact CE1-CD1 3.5Å; H188-W212 VanDerWaalsContact CE1-CD1 3.5Å; H188-W212 AromaticContact CE1-NE1 3.35Å; H188-W212 PolarHBondContact CE1-NE1 3.32Å; H188-W212 VanDerWaalsContact CE1-NE1 3.35Å; H188-W212 AromaticContact CG-NE1 3.63Å; H188-W212 AromaticContact ND1-NE1 3.42Å; H188-W212 PolarHBondContact ND1-NE1 2.94Å; H188-W212 AromaticContact NE2-CD1 3.25Å; H188-W212 AromaticContact NE2-NE1 3.48Å; H188-W212 PolarHBondContact NE2-NE1 3.27Å; M190-W212 HydrophobicContact CE-CH2 4.15Å; M190-W212 HydrophobicContact CE-CZ2 3.82Å; L206-W212 HydrophobicContact CD2-CE3 4.24Å; L206-W212 HydrophobicContact CD2-CH2 3.49Å; L206-W212 VanDerWaalsContact CD2-CH2 3.49Å; L206-W212 HydrophobicContact CD2-CZ2 4.31Å; L206-W212 HydrophobicContact CD2-CZ3 3.44Å; L206-W212 VanDerWaalsContact CD2-CZ3 3.44Å; A207-W212 HydrophobicContact CB-CB 4.45Å; A207-W212 HydrophobicContact CB-CE3 3.98Å; A207-W212 PolarHBondContact O-N 3.13Å; R210-W212 VanDerWaalsContact C-N 3.3Å; R210-W212 HydrophobicContact CB-CD2 4.23Å; R210-W212 HydrophobicContact CB-CG 4.24Å; R210-W212 HydrophobicContact CB-CZ2 4.43Å; R210-W212 VanDerWaalsContact CD-CZ2 3.45Å; R210-W212 PolarHBondContact O-N 3.1Å; W212-V216 HydrophobicContact CB-CG2 4.17Å; W212-V216 HydrophobicContact CE3-CG1 4.43Å; W212-A276 HydrophobicContact CB-CB 3.7Å; W212-A276 HydrophobicContact CG-CB 4.22Å; W212-A276 VanDerWaalsContact O-CB 3.26Å; W212-A276 WeakPolarHBondContact O-CB 3.42Å; W212-A276 PolarHBondContact O-N 2.87Å; W212-V278 HydrophobicContact CE3-CG2 4.26Å; W212-V278 HydrophobicContact CH2-CG2 4.28Å; W212-V278 HydrophobicContact CZ3-CG2 4.12Å | ||
| 213 | G | 90.1 | Very high | 91.4 | Very high | 28 Ų | 28 | 51.2 Ų | 51.2 | 29% | 0.289 | 25% | 0.246 | S | C | . | . | trans | 88.3 | -172.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R211 S215 | R211-G213 PolarHBondContact O-N 3.42Å; R211-G213 VanDerWaalsContact O-N 3.16Å; G213-S215 VanDerWaalsContact C-N 3.34Å; G213-S215 PolarHBondContact O-N 2.74Å | ||
| 214 | D | 88.4 | Confident | 91.1 | Very high | 114 Ų | 114 | 58.7 Ų | 58.7 | 61% | 0.61 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -75.3 | -21.3 | -163.7 | -47.1 | -61.2 | 0 | 0 | 0 | 114.5 | T239 K275 | D214-T239 WeakPolarHBondContact O-CB 3.34Å; D214-T239 WeakPolarHBondContact O-CG2 3.42Å; D214-K275 IonicContact OD2-NZ 3.82Å; D214-K275 PolarHBondContact OD2-NZ 2.88Å |
| 215 | S | 91.6 | Very high | 90.8 | Very high | 26 Ų | 26 | 62.9 Ų | 62.9 | 18% | 0.182 | 30% | 0.298 | C | S | . | . | trans | -140.2 | 128.5 | -172 | 65.1 | 0 | 0 | 0 | 0 | 110.1 | G213 M274 K275 A276 | G213-S215 VanDerWaalsContact C-N 3.34Å; G213-S215 PolarHBondContact O-N 2.74Å; S215-M274 WeakPolarHBondContact OG-CA 3.17Å; S215-K275 PolarHBondContact O-N 3.33Å; S215-K275 PolarHBondContact OG-N 3.39Å; S215-A276 PolarHBondContact O-N 3.15Å | ||
| 216 | V | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 133.7 | -172.2 | -173 | 0 | 0 | 0 | 0 | 109.7 | W212 L218 T239 F240 N241 A276 V278 | W212-V216 HydrophobicContact CB-CG2 4.17Å; W212-V216 HydrophobicContact CE3-CG1 4.43Å; V216-L218 HydrophobicContact CG1-CD2 3.9Å; V216-T239 PolarHBondContact N-O 3.19Å; V216-T239 VanDerWaalsContact N-O 3.15Å; V216-F240 HydrophobicContact CB-CD1 3.64Å; V216-F240 HydrophobicContact CB-CE1 3.61Å; V216-F240 HydrophobicContact CB-CZ 4.47Å; V216-F240 HydrophobicContact CG1-CD1 4.37Å; V216-F240 HydrophobicContact CG1-CE1 4.35Å; V216-F240 HydrophobicContact CG2-CD1 4.03Å; V216-F240 HydrophobicContact CG2-CE1 3.45Å; V216-F240 VanDerWaalsContact CG2-CE1 3.45Å; V216-F240 HydrophobicContact CG2-CZ 3.96Å; V216-F240 WeakPolarHBondContact O-CA 3.46Å; V216-N241 PolarHBondContact O-N 3.32Å; V216-N241 VanDerWaalsContact O-N 3.17Å; V216-A276 WeakPolarHBondContact CA-O 3.46Å; V216-A276 HydrophobicContact CG1-CB 4.23Å; V216-A276 HydrophobicContact CG2-CB 4.26Å; V216-V278 HydrophobicContact CG1-CB 4.41Å; V216-V278 HydrophobicContact CG1-CG2 3.54Å |
| 217 | L | 92.9 | Very high | 90.3 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.037 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 119.1 | 171.8 | -177.1 | 58.8 | 0 | 0 | 0 | 110.2 | V219 N241 I243 M274 A276 Q277 V278 | L217-V219 HydrophobicContact CD2-CG2 4.32Å; L217-V219 HydrophobicContact CG-CG2 4.08Å; L217-N241 HydrophobicContact CD1-CB 4.18Å; L217-I243 HydrophobicContact CD1-CB 4.41Å; L217-I243 HydrophobicContact CD1-CD1 3.65Å; L217-I243 HydrophobicContact CD1-CG1 3.87Å; L217-M274 HydrophobicContact CB-SD 3.55Å; L217-M274 VanDerWaalsContact CB-SD 3.55Å; L217-M274 HydrophobicContact CD1-SD 4.22Å; L217-M274 HydrophobicContact CG-SD 4.36Å; L217-A276 PolarHBondContact N-O 3.04Å; L217-Q277 HydrophobicContact CB-CG 4.2Å; L217-Q277 HydrophobicContact CD2-CG 4.23Å; L217-Q277 HydrophobicContact CG-CG 4.42Å; L217-V278 PolarHBondContact O-N 3.47Å |
| 218 | L | 92.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.9 | 172.6 | -51.5 | -177 | 0 | 0 | 0 | 109.7 | V216 I230 T234 N241 L242 I243 V278 | V216-L218 HydrophobicContact CG1-CD2 3.9Å; L218-I230 HydrophobicContact CD1-CD1 3.62Å; L218-I230 HydrophobicContact CD1-CG1 3.77Å; L218-T234 HydrophobicContact CD1-CG2 3.72Å; L218-N241 PolarHBondContact N-O 3.24Å; L218-L242 HydrophobicContact CB-CD1 3.71Å; L218-I243 PolarHBondContact O-N 2.95Å; L218-V278 WeakPolarHBondContact CA-O 3.19Å; L218-V278 HydrophobicContact CD2-CB 3.56Å; L218-V278 HydrophobicContact CD2-CG1 3.94Å; L218-V278 HydrophobicContact CD2-CG2 3.9Å |
| 219 | V | 91.9 | Very high | 90.1 | Very high | 8 Ų | 8 | 62.3 Ų | 62.3 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.8 | 177.3 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | L217 I243 A245 T248 V278 I279 R280 | L217-V219 HydrophobicContact CD2-CG2 4.32Å; L217-V219 HydrophobicContact CG-CG2 4.08Å; V219-I243 VanDerWaalsContact CA-O 3.3Å; V219-I243 WeakPolarHBondContact CA-O 3.25Å; V219-A245 HydrophobicContact CG1-CB 4.13Å; V219-T248 HydrophobicContact CG1-CG2 4.45Å; V219-V278 PolarHBondContact N-O 3.05Å; V219-I279 HydrophobicContact CB-CG1 4.38Å; V219-I279 HydrophobicContact CG2-CG1 4.48Å; V219-R280 WeakPolarHBondContact O-CB 3.19Å; V219-R280 PolarHBondContact O-N 2.96Å |
| 220 | D | 90.6 | Very high | 90 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 166.4 | 171.8 | -152.4 | -18.5 | 0 | 0 | 0 | 110.8 | L193 M226 L242 I243 P244 A245 R280 | L193-D220 HydrophobicContact CD1-CB 3.83Å; D220-M226 HydrophobicContact CB-CE 3.88Å; D220-M226 HydrophobicContact CB-CG 4.13Å; D220-L242 HydrophobicContact CB-CD1 4.49Å; D220-I243 PolarHBondContact N-O 3.03Å; D220-I243 VanDerWaalsContact N-O 3.15Å; D220-P244 CarbonylContact O-C 3.55Å; D220-P244 VanDerWaalsContact O-C 3.31Å; D220-P244 WeakPolarHBondContact O-CA 3.26Å; D220-A245 WeakPolarHBondContact O-CA 3.44Å; D220-A245 VanDerWaalsContact O-CB 3.3Å; D220-A245 WeakPolarHBondContact O-CB 3.39Å; D220-A245 PolarHBondContact O-N 2.68Å; D220-R280 WeakPolarHBondContact OD1-CD 3.41Å; D220-R280 IonicContact OD1-CZ 3.42Å; D220-R280 IonicContact OD1-NE 2.79Å; D220-R280 IonicContact OD1-NH1 3.76Å; D220-R280 PolarHBondContact OD1-NH1 3.03Å; D220-R280 VanDerWaalsContact OD1-NH1 3.11Å; D220-R280 IonicContact OD2-NH1 3.44Å; D220-R280 PolarHBondContact OD2-NH1 2.94Å |
| 221 | L | 87.9 | Confident | 90.1 | Very high | 59 Ų | 59 | 58.5 Ų | 58.5 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -74 | -57.6 | -174.1 | -59.7 | 158.5 | 0 | 0 | 0 | 112.4 | A245 A282 | L221-A245 PolarHBondContact O-N 3.22Å; L221-A282 HydrophobicContact CD1-CB 3.18Å; L221-A282 HydrophobicContact CD2-CB 3.96Å; L221-A282 HydrophobicContact CG-CB 4.14Å |
| 222 | T | 86.7 | Confident | 90.1 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 26% | 0.264 | 27% | 0.274 | S | S | . | . | trans | -118 | 160.1 | -175.3 | 60.4 | 0 | 0 | 0 | 0 | 108.8 | E225 M226 | T222-E225 VanDerWaalsContact OG1-CB 3.24Å; T222-E225 WeakPolarHBondContact OG1-CB 3.38Å; T222-E225 VanDerWaalsContact OG1-CD 3.27Å; T222-E225 VanDerWaalsContact OG1-CG 3.26Å; T222-E225 WeakPolarHBondContact OG1-CG 3.33Å; T222-E225 PolarHBondContact OG1-N 2.86Å; T222-E225 PolarHBondContact OG1-OE2 3.24Å; T222-M226 WeakPolarHBondContact O-CG 3.44Å | ||
| 223 | H | 84.1 | Confident | 90.2 | Very high | 125 Ų | 125 | 52 Ų | 52 | 58% | 0.579 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -84.2 | -30.9 | 178.4 | 178.9 | -89.9 | 0 | 0 | 0 | 111.1 | ||
| 224 | E | 85.8 | Confident | 90.3 | Very high | 158 Ų | 158 | 51.2 Ų | 51.2 | 74% | 0.738 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -30.4 | -175.1 | -63.1 | 71.4 | -158.4 | 0 | 0 | 112.6 | ||
| 225 | E | 86.8 | Confident | 90.5 | Very high | 128 Ų | 128 | 50 Ų | 50 | 60% | 0.598 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 14.7 | -177.9 | -53.9 | 167.2 | 153.2 | 0 | 0 | 113 | T222 | T222-E225 VanDerWaalsContact OG1-CB 3.24Å; T222-E225 WeakPolarHBondContact OG1-CB 3.38Å; T222-E225 VanDerWaalsContact OG1-CD 3.27Å; T222-E225 VanDerWaalsContact OG1-CG 3.26Å; T222-E225 WeakPolarHBondContact OG1-CG 3.33Å; T222-E225 PolarHBondContact OG1-N 2.86Å; T222-E225 PolarHBondContact OG1-OE2 3.24Å |
| 226 | M | 87.1 | Confident | 90.6 | Very high | 25 Ų | 25 | 56.1 Ų | 56.1 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | trans | -71.9 | 126.4 | 176.7 | -69.7 | -178.2 | 174.7 | 0 | 0 | 110.2 | D220 T222 V231 L242 P244 | D220-M226 HydrophobicContact CB-CE 3.88Å; D220-M226 HydrophobicContact CB-CG 4.13Å; T222-M226 WeakPolarHBondContact O-CG 3.44Å; M226-V231 HydrophobicContact CB-CG2 3.87Å; M226-L242 HydrophobicContact CE-CD1 4.45Å; M226-L242 HydrophobicContact CE-CD2 4.43Å; M226-L242 HydrophobicContact CE-CG 4.11Å; M226-L242 HydrophobicContact CG-CD2 4.46Å; M226-L242 HydrophobicContact SD-CD2 3.63Å; M226-L242 HydrophobicContact SD-CG 3.96Å; M226-P244 HydrophobicContact CE-CB 3.89Å; M226-P244 HydrophobicContact CE-CG 4.47Å | ||
| 227 | P | 90.2 | Very high | 90.5 | Very high | 21 Ų | 21 | 57.9 Ų | 57.9 | 14% | 0.136 | 29% | 0.291 | C | S | . | . | trans | -66.6 | 139.9 | -179.9 | 22.4 | -26.9 | 0 | 0 | 0 | 110.9 | L193 E194 S229 I230 V231 | L193-P227 HydrophobicContact CB-CG 4.47Å; L193-P227 WeakPolarHBondContact O-CG 3.42Å; E194-P227 HydrophobicContact CG-CB 4.08Å; E194-P227 HydrophobicContact CG-CG 4.15Å; P227-S229 PolarHBondContact O-N 3.2Å; P227-I230 HydrophobicContact CG-CB 4.49Å; P227-I230 HydrophobicContact CG-CG2 3.73Å; P227-I230 WeakPolarHBondContact O-CG2 3.24Å; P227-I230 PolarHBondContact O-N 3.01Å; P227-V231 WeakPolarHBondContact O-CG2 3.22Å; P227-V231 PolarHBondContact O-N 3.27Å | ||
| 228 | Q | 91.4 | Very high | 90.4 | Very high | 155 Ų | 155 | 67 Ų | 67 | 72% | 0.724 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.7 | -36.4 | -177 | -68.9 | 179.1 | -13.4 | 0 | 0 | 112.1 | I230 V231 E232 | Q228-I230 VanDerWaalsContact C-N 3.35Å; Q228-I230 PolarHBondContact O-N 3.49Å; Q228-V231 PolarHBondContact O-N 3.25Å; Q228-E232 WeakPolarHBondContact O-CG 3.3Å; Q228-E232 PolarHBondContact O-N 3.41Å |
| 229 | S | 91.9 | Very high | 90.3 | Very high | 38 Ų | 38 | 69.9 Ų | 69.9 | 27% | 0.266 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -54.5 | -46.6 | -179.9 | -21.1 | 0 | 0 | 0 | 0 | 112.7 | P227 A233 | P227-S229 PolarHBondContact O-N 3.2Å; S229-A233 WeakPolarHBondContact O-CB 3.2Å; S229-A233 PolarHBondContact O-N 2.84Å |
| 230 | I | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -76.6 | -33.8 | -178.5 | -164.6 | 61.5 | 0 | 0 | 0 | 111.8 | L193 L195 L203 L218 P227 Q228 T234 L242 | L193-I230 HydrophobicContact CB-CG2 4.48Å; L193-I230 WeakPolarHBondContact O-CB 3.01Å; L195-I230 HydrophobicContact CD1-CB 4.47Å; L195-I230 HydrophobicContact CD1-CD1 3.52Å; L195-I230 HydrophobicContact CD2-CD1 4.26Å; L195-I230 HydrophobicContact CG-CD1 3.87Å; L203-I230 HydrophobicContact CD1-CD1 4.11Å; L203-I230 HydrophobicContact CD2-CD1 4.28Å; L218-I230 HydrophobicContact CD1-CD1 3.62Å; L218-I230 HydrophobicContact CD1-CG1 3.77Å; P227-I230 HydrophobicContact CG-CB 4.49Å; P227-I230 HydrophobicContact CG-CG2 3.73Å; P227-I230 WeakPolarHBondContact O-CG2 3.24Å; P227-I230 PolarHBondContact O-N 3.01Å; Q228-I230 VanDerWaalsContact C-N 3.35Å; Q228-I230 PolarHBondContact O-N 3.49Å; I230-T234 HydrophobicContact CD1-CG2 3.96Å; I230-T234 HydrophobicContact CG1-CG2 3.99Å; I230-T234 VanDerWaalsContact O-CB 3.3Å; I230-T234 WeakPolarHBondContact O-CB 3.45Å; I230-T234 WeakPolarHBondContact O-CG2 3.47Å; I230-T234 PolarHBondContact O-N 3.26Å; I230-T234 PolarHBondContact O-OG1 3.12Å; I230-L242 HydrophobicContact CG2-CD2 3.97Å |
| 231 | V | 93.4 | Very high | 90.4 | Very high | 61 Ų | 61 | 72.6 Ų | 72.6 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 177.7 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | M226 P227 Q228 T234 S235 L242 | M226-V231 HydrophobicContact CB-CG2 3.87Å; P227-V231 WeakPolarHBondContact O-CG2 3.22Å; P227-V231 PolarHBondContact O-N 3.27Å; Q228-V231 PolarHBondContact O-N 3.25Å; V231-T234 PolarHBondContact O-OG1 3.49Å; V231-S235 WeakPolarHBondContact O-CB 3.21Å; V231-S235 PolarHBondContact O-N 2.91Å; V231-S235 PolarHBondContact O-OG 2.8Å; V231-L242 HydrophobicContact CG2-CD2 3.94Å |
| 232 | E | 92.4 | Very high | 90.6 | Very high | 94 Ų | 94 | 71.6 Ų | 71.6 | 44% | 0.439 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 177.4 | -71.4 | -173.9 | -177 | 0 | 0 | 112.1 | Q228 T234 S235 | Q228-E232 WeakPolarHBondContact O-CG 3.3Å; Q228-E232 PolarHBondContact O-N 3.41Å; E232-T234 PolarHBondContact O-N 3.25Å; E232-S235 PolarHBondContact O-OG 2.93Å |
| 233 | A | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L195 S229 | L195-A233 HydrophobicContact CD1-CB 3.8Å; S229-A233 WeakPolarHBondContact O-CB 3.2Å; S229-A233 PolarHBondContact O-N 2.84Å |
| 234 | T | 93.3 | Very high | 91 | Very high | 12 Ų | 12 | 66.9 Ų | 66.9 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74.2 | -35.5 | -176.4 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | L203 L218 I230 V231 E232 R236 L237 F240 L242 | L203-T234 HydrophobicContact CD2-CG2 4.04Å; L218-T234 HydrophobicContact CD1-CG2 3.72Å; I230-T234 HydrophobicContact CD1-CG2 3.96Å; I230-T234 HydrophobicContact CG1-CG2 3.99Å; I230-T234 VanDerWaalsContact O-CB 3.3Å; I230-T234 WeakPolarHBondContact O-CB 3.45Å; I230-T234 WeakPolarHBondContact O-CG2 3.47Å; I230-T234 PolarHBondContact O-N 3.26Å; I230-T234 PolarHBondContact O-OG1 3.12Å; V231-T234 PolarHBondContact O-OG1 3.49Å; E232-T234 PolarHBondContact O-N 3.25Å; T234-R236 PolarHBondContact O-N 3.11Å; T234-R236 VanDerWaalsContact O-N 3.12Å; T234-L237 PolarHBondContact O-N 3.03Å; T234-F240 HydrophobicContact CG2-CB 4.41Å; T234-L242 HydrophobicContact CG2-CB 4.34Å |
| 235 | S | 91.9 | Very high | 90.9 | Very high | 89 Ų | 89 | 60.9 Ų | 60.9 | 62% | 0.622 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59 | -26.8 | -179.4 | 68.2 | 0 | 0 | 0 | 0 | 114.1 | V231 E232 | V231-S235 WeakPolarHBondContact O-CB 3.21Å; V231-S235 PolarHBondContact O-N 2.91Å; V231-S235 PolarHBondContact O-OG 2.8Å; E232-S235 PolarHBondContact O-OG 2.93Å |
| 236 | R | 92.8 | Very high | 90.5 | Very high | 153 Ų | 153 | 59.2 Ų | 59.2 | 58% | 0.577 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -16.3 | -179.9 | -61.4 | 176.4 | -172.2 | 169.5 | 7.4 | 112.9 | P200 T234 | P200-R236 HydrophobicContact CB-CB 4.47Å; P200-R236 HydrophobicContact CG-CB 4.49Å; T234-R236 PolarHBondContact O-N 3.11Å; T234-R236 VanDerWaalsContact O-N 3.12Å |
| 237 | L | 91.4 | Very high | 88.9 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 20% | 0.199 | 32% | 0.319 | C | S | . | . | trans | -102.2 | 146 | -174.9 | -65.3 | 173.5 | 0 | 0 | 0 | 111.2 | P200 L203 T204 T234 F240 | P200-L237 HydrophobicContact CB-CD1 3.92Å; P200-L237 HydrophobicContact CB-CD2 3.98Å; P200-L237 HydrophobicContact CB-CG 3.83Å; L203-L237 HydrophobicContact CD2-CD1 4.07Å; T204-L237 HydrophobicContact CG2-CD1 4.03Å; T204-L237 HydrophobicContact CG2-CD2 4.04Å; T234-L237 PolarHBondContact O-N 3.03Å; L237-F240 HydrophobicContact CB-CB 4.25Å; L237-F240 HydrophobicContact CB-CD2 4.29Å; L237-F240 HydrophobicContact CD1-CB 4.28Å; L237-F240 HydrophobicContact CD1-CD2 3.68Å; L237-F240 HydrophobicContact CD1-CE2 4.36Å; L237-F240 HydrophobicContact CD1-CG 4.15Å | ||
| 238 | K | 91 | Very high | 87.3 | Confident | 199 Ų | 199 | 60.9 Ų | 60.9 | 87% | 0.865 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -94.5 | -26 | 176.2 | -66.4 | -179.5 | -178.6 | 174.1 | 0 | 113.1 | ||
| 239 | T | 91.1 | Very high | 84.4 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -88.3 | -26.4 | -174.2 | 44.5 | 0 | 0 | 0 | 0 | 113.1 | D214 V216 M274 | D214-T239 WeakPolarHBondContact O-CB 3.34Å; D214-T239 WeakPolarHBondContact O-CG2 3.42Å; V216-T239 PolarHBondContact N-O 3.19Å; V216-T239 VanDerWaalsContact N-O 3.15Å; T239-M274 VanDerWaalsContact O-CE 3.25Å; T239-M274 WeakPolarHBondContact O-CE 3.23Å |
| 240 | F | 92.7 | Very high | 81.5 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.2 | 176.3 | -67.4 | -98.4 | 0 | 0 | 0 | 108.8 | L203 T204 A207 V216 T234 L237 | L203-F240 HydrophobicContact CD2-CB 4.1Å; L203-F240 HydrophobicContact CD2-CD1 3.6Å; L203-F240 HydrophobicContact CD2-CD2 4.49Å; L203-F240 HydrophobicContact CD2-CE1 4.16Å; L203-F240 HydrophobicContact CD2-CG 3.8Å; L203-F240 HydrophobicContact CG-CD1 3.96Å; L203-F240 HydrophobicContact CG-CE1 3.99Å; L203-F240 HydrophobicContact CG-CG 4.47Å; T204-F240 HydrophobicContact CG2-CE2 3.96Å; A207-F240 HydrophobicContact CB-CE1 3.84Å; A207-F240 HydrophobicContact CB-CZ 3.51Å; V216-F240 HydrophobicContact CB-CD1 3.64Å; V216-F240 HydrophobicContact CB-CE1 3.61Å; V216-F240 HydrophobicContact CB-CZ 4.47Å; V216-F240 HydrophobicContact CG1-CD1 4.37Å; V216-F240 HydrophobicContact CG1-CE1 4.35Å; V216-F240 HydrophobicContact CG2-CD1 4.03Å; V216-F240 HydrophobicContact CG2-CE1 3.45Å; V216-F240 VanDerWaalsContact CG2-CE1 3.45Å; V216-F240 HydrophobicContact CG2-CZ 3.96Å; V216-F240 WeakPolarHBondContact O-CA 3.46Å; T234-F240 HydrophobicContact CG2-CB 4.41Å; L237-F240 HydrophobicContact CB-CB 4.25Å; L237-F240 HydrophobicContact CB-CD2 4.29Å; L237-F240 HydrophobicContact CD1-CB 4.28Å; L237-F240 HydrophobicContact CD1-CD2 3.68Å; L237-F240 HydrophobicContact CD1-CE2 4.36Å; L237-F240 HydrophobicContact CD1-CG 4.15Å |
| 241 | N | 92 | Very high | 78.3 | Confident | 58 Ų | 58 | 74 Ų | 74 | 31% | 0.31 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.5 | 177.1 | -69.6 | -52.1 | 0 | 0 | 0 | 109.9 | V216 L217 L218 M274 | V216-N241 PolarHBondContact O-N 3.32Å; V216-N241 VanDerWaalsContact O-N 3.17Å; L217-N241 HydrophobicContact CD1-CB 4.18Å; L218-N241 PolarHBondContact N-O 3.24Å; N241-M274 HydrophobicContact CB-CE 4.28Å; N241-M274 WeakPolarHBondContact ND2-CE 3.22Å |
| 242 | L | 90.8 | Very high | 75.2 | Confident | 38 Ų | 38 | 77.8 Ų | 77.8 | 20% | 0.199 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.1 | 173.3 | -177.3 | 63.2 | 0 | 0 | 0 | 109.9 | L193 L218 D220 M226 I230 V231 T234 | L193-L242 HydrophobicContact CD1-CD1 4.26Å; L218-L242 HydrophobicContact CB-CD1 3.71Å; D220-L242 HydrophobicContact CB-CD1 4.49Å; M226-L242 HydrophobicContact CE-CD1 4.45Å; M226-L242 HydrophobicContact CE-CD2 4.43Å; M226-L242 HydrophobicContact CE-CG 4.11Å; M226-L242 HydrophobicContact CG-CD2 4.46Å; M226-L242 HydrophobicContact SD-CD2 3.63Å; M226-L242 HydrophobicContact SD-CG 3.96Å; I230-L242 HydrophobicContact CG2-CD2 3.97Å; V231-L242 HydrophobicContact CG2-CD2 3.94Å; T234-L242 HydrophobicContact CG2-CB 4.34Å |
| 243 | I | 89.6 | Confident | 72.1 | Confident | 43 Ų | 43 | 80.2 Ų | 80.2 | 22% | 0.221 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 138.5 | -177.5 | -57.9 | -171.7 | 0 | 0 | 0 | 109.5 | L217 L218 V219 D220 A247 | L217-I243 HydrophobicContact CD1-CB 4.41Å; L217-I243 HydrophobicContact CD1-CD1 3.65Å; L217-I243 HydrophobicContact CD1-CG1 3.87Å; L218-I243 PolarHBondContact O-N 2.95Å; V219-I243 VanDerWaalsContact CA-O 3.3Å; V219-I243 WeakPolarHBondContact CA-O 3.25Å; D220-I243 PolarHBondContact N-O 3.03Å; D220-I243 VanDerWaalsContact N-O 3.15Å; I243-A247 HydrophobicContact CG2-CB 3.51Å |
| 244 | P | 90.4 | Very high | 69.3 | Low | 26 Ų | 26 | 86.2 Ų | 86.2 | 17% | 0.169 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 153.5 | 173.2 | 30 | -35.1 | 0 | 0 | 0 | 112 | D220 M226 V246 A247 | D220-P244 CarbonylContact O-C 3.55Å; D220-P244 VanDerWaalsContact O-C 3.31Å; D220-P244 WeakPolarHBondContact O-CA 3.26Å; M226-P244 HydrophobicContact CE-CB 3.89Å; M226-P244 HydrophobicContact CE-CG 4.47Å; P244-V246 PolarHBondContact O-N 3.31Å; P244-A247 HydrophobicContact CG-CB 4.03Å; P244-A247 WeakPolarHBondContact O-CB 3.38Å; P244-A247 PolarHBondContact O-N 2.93Å |
| 245 | A | 83.6 | Confident | 66.3 | Low | 31 Ų | 31 | 94.2 Ų | 94.2 | 26% | 0.256 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -65.9 | -30.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110 | V219 D220 L221 A247 T248 | V219-A245 HydrophobicContact CG1-CB 4.13Å; D220-A245 WeakPolarHBondContact O-CA 3.44Å; D220-A245 VanDerWaalsContact O-CB 3.3Å; D220-A245 WeakPolarHBondContact O-CB 3.39Å; D220-A245 PolarHBondContact O-N 2.68Å; L221-A245 PolarHBondContact O-N 3.22Å; A245-A247 PolarHBondContact O-N 3.2Å; A245-T248 WeakPolarHBondContact O-CA 3.37Å; A245-T248 VanDerWaalsContact O-CB 3.3Å; A245-T248 WeakPolarHBondContact O-CB 3.37Å; A245-T248 PolarHBondContact O-N 3.19Å; A245-T248 PolarHBondContact O-OG1 3.09Å |
| 246 | V | 77.2 | Confident | 63.6 | Low | 94 Ų | 94 | 95.8 Ų | 95.8 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -62.1 | -26.3 | 171.8 | -172.8 | 0 | 0 | 0 | 0 | 111.9 | P244 T248 R249 | P244-V246 PolarHBondContact O-N 3.31Å; V246-T248 PolarHBondContact O-N 3.36Å; V246-R249 CarbonylContact O-C 3.31Å; V246-R249 VanDerWaalsContact O-CA 3.31Å; V246-R249 WeakPolarHBondContact O-CA 3.25Å; V246-R249 WeakPolarHBondContact O-CB 3.47Å; V246-R249 PolarHBondContact O-N 3.26Å; V246-R249 VanDerWaalsContact O-O 3.05Å |
| 247 | A | 54.6 | Low | 60.5 | Low | 36 Ų | 36 | 93.5 Ų | 93.5 | 30% | 0.298 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -75.6 | -12 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I243 P244 A245 | I243-A247 HydrophobicContact CG2-CB 3.51Å; P244-A247 HydrophobicContact CG-CB 4.03Å; P244-A247 WeakPolarHBondContact O-CB 3.38Å; P244-A247 PolarHBondContact O-N 2.93Å; A245-A247 PolarHBondContact O-N 3.2Å |
| 248 | T | 55.8 | Low | 57.7 | Low | 44 Ų | 44 | 97.7 Ų | 97.7 | 27% | 0.27 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -74.8 | -15.3 | 162.5 | 77.5 | 0 | 0 | 0 | 0 | 112.5 | V219 A245 V246 F268 | V219-T248 HydrophobicContact CG1-CG2 4.45Å; A245-T248 WeakPolarHBondContact O-CA 3.37Å; A245-T248 VanDerWaalsContact O-CB 3.3Å; A245-T248 WeakPolarHBondContact O-CB 3.37Å; A245-T248 PolarHBondContact O-N 3.19Å; A245-T248 PolarHBondContact O-OG1 3.09Å; V246-T248 PolarHBondContact O-N 3.36Å; T248-F268 HydrophobicContact CG2-CE2 4.2Å; T248-F268 HydrophobicContact CG2-CZ 4.04Å |
| 249 | R | 30.3 | Very low | 54.8 | Low | 189 Ų | 189 | 94.3 Ų | 94.3 | 71% | 0.713 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -84.3 | 127.4 | 165.3 | 179 | -174.4 | -74.1 | -137.1 | -1.4 | 109.5 | V246 R251 | V246-R249 CarbonylContact O-C 3.31Å; V246-R249 VanDerWaalsContact O-CA 3.31Å; V246-R249 WeakPolarHBondContact O-CA 3.25Å; V246-R249 WeakPolarHBondContact O-CB 3.47Å; V246-R249 PolarHBondContact O-N 3.26Å; V246-R249 VanDerWaalsContact O-O 3.05Å; R249-R251 PolarHBondContact O-N 2.93Å |
| 250 | W | 31.1 | Very low | 51.8 | Low | 75 Ų | 75 | 97 Ų | 97 | 28% | 0.284 | 52% | 0.522 | S | S | . | . | trans | -51.8 | 105.8 | 173.8 | -58.7 | 84.8 | 0 | 0 | 0 | 110.9 | V99 W102 Q103 R170 H252 | V99-W250 HydrophobicContact CG1-CH2 3.95Å; V99-W250 HydrophobicContact CG1-CZ2 4.09Å; W102-W250 AromaticContact CE3-CH2 3.52Å; W102-W250 HydrophobicContact CE3-CH2 3.52Å; W102-W250 AromaticContact CE3-CZ3 3.74Å; W102-W250 HydrophobicContact CE3-CZ3 3.74Å; W102-W250 HydrophobicContact CH2-CD2 4.35Å; W102-W250 AromaticContact CH2-CE3 3.31Å; W102-W250 HydrophobicContact CH2-CE3 3.31Å; W102-W250 AromaticContact CH2-CH2 3.64Å; W102-W250 HydrophobicContact CH2-CH2 3.64Å; W102-W250 AromaticContact CH2-CZ3 3.04Å; W102-W250 HydrophobicContact CH2-CZ3 3.04Å; W102-W250 HydrophobicContact CZ2-CE3 4.47Å; W102-W250 HydrophobicContact CZ2-CZ3 4.33Å; W102-W250 AromaticContact CZ3-CE3 3.57Å; W102-W250 HydrophobicContact CZ3-CE3 3.57Å; W102-W250 AromaticContact CZ3-CH2 3.02Å; W102-W250 HydrophobicContact CZ3-CH2 3.02Å; W102-W250 HydrophobicContact CZ3-CZ2 4.22Å; W102-W250 AromaticContact CZ3-CZ3 2.74Å; W102-W250 HydrophobicContact CZ3-CZ3 2.74Å; Q103-W250 HydrophobicContact CG-CH2 3.79Å; Q103-W250 HydrophobicContact CG-CZ3 3.87Å; Q103-W250 VanDerWaalsContact NE2-CH2 3.25Å; R170-W250 HydrophobicContact CB-CZ2 3.57Å; R170-W250 HydrophobicContact CG-CH2 4.25Å; R170-W250 HydrophobicContact CG-CZ2 3.66Å; W250-H252 PolarHBondContact O-N 2.83Å | ||
| 251 | R | 26.8 | Very low | 48.6 | Very low | 206 Ų | 206 | 104.7 Ų | 104.7 | 78% | 0.777 | 56% | 0.558 | S | S | * | * | trans | -67.9 | 102.8 | -176 | -161.6 | -176.3 | -67.2 | -109.7 | 4.4 | 111.2 | R249 | R249-R251 PolarHBondContact O-N 2.93Š| ||
| 252 | H | 28.3 | Very low | 45.6 | Very low | 140 Ų | 140 | 107.3 Ų | 107.3 | 65% | 0.648 | 58% | 0.578 | S | S | * | * | trans | -116.4 | 91.9 | 148.4 | -84.6 | -79.9 | 0 | 0 | 0 | 106.9 | M164 W250 | M164-H252 VanDerWaalsContact CE-NE2 3.26Å; M164-H252 WeakPolarHBondContact CE-NE2 3.45Å; W250-H252 PolarHBondContact O-N 2.83Å | ||
| 253 | E | 26.4 | Very low | 42.6 | Very low | 145 Ų | 145 | 110.4 Ų | 110.4 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | trans | -159 | 128.1 | 147.5 | -146.7 | 145.9 | -177.6 | 0 | 0 | 110.2 | ||||
| 254 | P | 35 | Very low | 39.8 | Very low | 126 Ų | 126 | 114.5 Ų | 114.5 | 82% | 0.818 | 63% | 0.629 | S | S | * | * | trans | -91.9 | 114.3 | 168.1 | 32.8 | -22.5 | 0 | 0 | 0 | 108.2 | ||||
| 255 | K | 29.5 | Very low | 37 | Very low | 180 Ų | 180 | 120.5 Ų | 120.5 | 78% | 0.783 | 66% | 0.659 | S | S | * | * | trans | -130 | 131 | 159.6 | -86.8 | -177.5 | 179.1 | 171.1 | 0 | 110 | ||||
| 256 | S | 35.1 | Very low | 34.7 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 85% | 0.846 | 67% | 0.669 | S | S | * | * | trans | -66.8 | 118.9 | -174 | 47.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 257 | S | 27.9 | Very low | 32.4 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | trans | -165 | 151 | 155.7 | 39.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 258 | P | 32.1 | Very low | 31.9 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 83% | 0.825 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 139.3 | -159.6 | 30.4 | -34.3 | 0 | 0 | 0 | 112.2 | P260 | P258-P260 WeakPolarHBondContact O-CD 3.3Š|
| 259 | V | 31.1 | Very low | 30.7 | Very low | 127 Ų | 127 | 120 Ų | 120 | 77% | 0.77 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 126.8 | -174.2 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 260 | P | 27.4 | Very low | 31 | Very low | 118 Ų | 118 | 114.4 Ų | 114.4 | 77% | 0.766 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 142.6 | 140.5 | 30 | -20.3 | 0 | 0 | 0 | 109.5 | P258 | P258-P260 WeakPolarHBondContact O-CD 3.3Š|
| 261 | Q | 26.8 | Very low | 31.5 | Very low | 169 Ų | 169 | 111.5 Ų | 111.5 | 79% | 0.79 | 64% | 0.636 | S | S | * | * | trans | -32 | 146.1 | -168.7 | -63.1 | -78.3 | -1.7 | 0 | 0 | 117.4 | T263 | Q261-T263 PolarHBondContact O-N 2.9Š| ||
| 262 | P | 28.9 | Very low | 32.3 | Very low | 113 Ų | 113 | 105.6 Ų | 105.6 | 73% | 0.734 | 62% | 0.619 | S | S | * | * | trans | -72.7 | 103.5 | -175.1 | 30.4 | -33.2 | 0 | 0 | 0 | 111.7 | ||||
| 263 | T | 27.8 | Very low | 32.9 | Very low | 104 Ų | 104 | 109.2 Ų | 109.2 | 64% | 0.638 | 63% | 0.627 | S | S | * | * | trans | -68 | 139.9 | 154.3 | 16.3 | 0 | 0 | 0 | 0 | 108.8 | Q261 L265 | Q261-T263 PolarHBondContact O-N 2.9Å; T263-L265 VanDerWaalsContact C-N 3.3Å; T263-L265 PolarHBondContact O-N 3.45Å | ||
| 264 | P | 30 | Very low | 33.9 | Very low | 129 Ų | 129 | 103 Ų | 103 | 84% | 0.838 | 60% | 0.599 | S | S | * | * | trans | -73.5 | 86.7 | 179.7 | 29.9 | -31.6 | 0 | 0 | 0 | 109.3 | A266 | P264-A266 PolarHBondContact O-N 3.36Š| ||
| 265 | L | 32.3 | Very low | 34.7 | Very low | 152 Ų | 152 | 102.1 Ų | 102.1 | 80% | 0.796 | 58% | 0.582 | S | S | * | * | trans | -72.7 | 113.4 | -179.3 | -71.9 | 171.8 | 0 | 0 | 0 | 110.9 | T263 G267 | T263-L265 VanDerWaalsContact C-N 3.3Å; T263-L265 PolarHBondContact O-N 3.45Å; L265-G267 PolarHBondContact O-N 3.16Å | ||
| 266 | A | 34 | Very low | 36 | Very low | 57 Ų | 57 | 93.6 Ų | 93.6 | 47% | 0.471 | 55% | 0.545 | S | S | . | . | trans | -56.3 | 118.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | P264 | P264-A266 PolarHBondContact O-N 3.36Š| ||
| 267 | G | 29.5 | Very low | 37.5 | Very low | 30 Ų | 30 | 88.8 Ų | 88.8 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | trans | -69.8 | 155.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L265 P269 T270 | L265-G267 PolarHBondContact O-N 3.16Å; G267-P269 VanDerWaalsContact C-N 3.26Å; G267-P269 WeakPolarHBondContact O-CD 3.21Å; G267-P269 WeakPolarHBondContact O-CG 3.46Å; G267-T270 PolarHBondContact O-N 2.91Å | ||
| 268 | F | 43.5 | Very low | 39.4 | Very low | 47 Ų | 47 | 83.8 Ų | 83.8 | 21% | 0.206 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -32.1 | -28.2 | 173 | -102.3 | -107 | 0 | 0 | 0 | 119.8 | Q103 L174 T248 T270 S271 L272 | Q103-F268 VanDerWaalsContact CD-CB 3.42Å; L174-F268 HydrophobicContact CD1-CE1 3.74Å; L174-F268 HydrophobicContact CD1-CZ 3.84Å; T248-F268 HydrophobicContact CG2-CE2 4.2Å; T248-F268 HydrophobicContact CG2-CZ 4.04Å; F268-T270 PolarHBondContact O-N 2.96Å; F268-T270 VanDerWaalsContact O-N 3.08Å; F268-S271 WeakPolarHBondContact O-CB 3.48Å; F268-S271 PolarHBondContact O-N 3.04Å; F268-L272 PolarHBondContact O-N 3.33Å |
| 269 | P | 31.8 | Very low | 41.2 | Very low | 61 Ų | 61 | 79.4 Ų | 79.4 | 40% | 0.396 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -55.4 | -25.1 | 174.2 | 17.4 | -35 | 0 | 0 | 0 | 115.1 | Q103 G267 | Q103-P269 VanDerWaalsContact OE1-CD 3.32Å; G267-P269 VanDerWaalsContact C-N 3.26Å; G267-P269 WeakPolarHBondContact O-CD 3.21Å; G267-P269 WeakPolarHBondContact O-CG 3.46Å |
| 270 | T | 36 | Very low | 42.5 | Very low | 70 Ų | 70 | 75.2 Ų | 75.2 | 43% | 0.429 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -82.7 | -27.1 | 174.9 | -29.8 | 0 | 0 | 0 | 0 | 112.5 | G267 F268 R273 | G267-T270 PolarHBondContact O-N 2.91Å; F268-T270 PolarHBondContact O-N 2.96Å; F268-T270 VanDerWaalsContact O-N 3.08Å; T270-R273 VanDerWaalsContact O-CB 3.26Å; T270-R273 WeakPolarHBondContact O-CB 3.45Å; T270-R273 PolarHBondContact O-N 3.27Å; T270-R273 VanDerWaalsContact O-N 3.16Å |
| 271 | S | 40.5 | Very low | 43.3 | Very low | 15 Ų | 15 | 70.9 Ų | 70.9 | 11% | 0.105 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -71.2 | -35.3 | -177.5 | 134.3 | 0 | 0 | 0 | 0 | 112.2 | F268 R273 M274 | F268-S271 WeakPolarHBondContact O-CB 3.48Å; F268-S271 PolarHBondContact O-N 3.04Å; S271-R273 PolarHBondContact O-N 3.24Å; S271-M274 WeakPolarHBondContact O-CB 3.47Å; S271-M274 PolarHBondContact O-N 2.92Å; S271-M274 VanDerWaalsContact O-N 3.13Å |
| 272 | L | 43.5 | Very low | 43.7 | Very low | 82 Ų | 82 | 64.1 Ų | 64.1 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -68.3 | -13.8 | 172 | -96.9 | 131.6 | 0 | 0 | 0 | 113.6 | F268 | F268-L272 PolarHBondContact O-N 3.33Š|
| 273 | R | 42.1 | Very low | 43.9 | Very low | 216 Ų | 216 | 69.5 Ų | 69.5 | 82% | 0.815 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -85.5 | -12.7 | 174.3 | -119.6 | -178 | -168.3 | -168.4 | 0.9 | 112.8 | T270 S271 | T270-R273 VanDerWaalsContact O-CB 3.26Å; T270-R273 WeakPolarHBondContact O-CB 3.45Å; T270-R273 PolarHBondContact O-N 3.27Å; T270-R273 VanDerWaalsContact O-N 3.16Å; S271-R273 PolarHBondContact O-N 3.24Å |
| 274 | M | 48 | Very low | 44.1 | Very low | 15 Ų | 15 | 71.8 Ų | 71.8 | 7% | 0.074 | 37% | 0.367 | C | S | . | . | trans | -78.7 | 135.9 | -179.2 | -60.6 | -170.8 | 128 | 0 | 0 | 109.3 | K181 S215 L217 T239 N241 S271 | K181-M274 PolarHBondContact NZ-O 3.03Å; S215-M274 WeakPolarHBondContact OG-CA 3.17Å; L217-M274 HydrophobicContact CB-SD 3.55Å; L217-M274 VanDerWaalsContact CB-SD 3.55Å; L217-M274 HydrophobicContact CD1-SD 4.22Å; L217-M274 HydrophobicContact CG-SD 4.36Å; T239-M274 VanDerWaalsContact O-CE 3.25Å; T239-M274 WeakPolarHBondContact O-CE 3.23Å; N241-M274 HydrophobicContact CB-CE 4.28Å; N241-M274 WeakPolarHBondContact ND2-CE 3.22Å; S271-M274 WeakPolarHBondContact O-CB 3.47Å; S271-M274 PolarHBondContact O-N 2.92Å; S271-M274 VanDerWaalsContact O-N 3.13Å | ||
| 275 | K | 50.3 | Low | 43.9 | Very low | 106 Ų | 106 | 68.7 Ų | 68.7 | 46% | 0.461 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -68.1 | -64.1 | 178.6 | -73.4 | 178.7 | 176.2 | 171.4 | 0 | 108.6 | K181 D186 D214 S215 | K181-K275 PolarHBondContact NZ-O 2.75Å; D186-K275 WeakPolarHBondContact CB-O 3.47Å; D186-K275 VanDerWaalsContact OD2-O 3.07Å; D214-K275 IonicContact OD2-NZ 3.82Å; D214-K275 PolarHBondContact OD2-NZ 2.88Å; S215-K275 PolarHBondContact O-N 3.33Å; S215-K275 PolarHBondContact OG-N 3.39Å |
| 276 | A | 56.7 | Low | 43.8 | Very low | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 143.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D186 W212 S215 V216 L217 | D186-A276 CarbonylContact O-C 3.16Å; D186-A276 WeakPolarHBondContact O-CA 3.4Å; W212-A276 HydrophobicContact CB-CB 3.7Å; W212-A276 HydrophobicContact CG-CB 4.22Å; W212-A276 VanDerWaalsContact O-CB 3.26Å; W212-A276 WeakPolarHBondContact O-CB 3.42Å; W212-A276 PolarHBondContact O-N 2.87Å; S215-A276 PolarHBondContact O-N 3.15Å; V216-A276 WeakPolarHBondContact CA-O 3.46Å; V216-A276 HydrophobicContact CG1-CB 4.23Å; V216-A276 HydrophobicContact CG2-CB 4.26Å; L217-A276 PolarHBondContact N-O 3.04Å |
| 277 | Q | 67.1 | Low | 43.6 | Very low | 20 Ų | 20 | 74.9 Ų | 74.9 | 9% | 0.093 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 121.3 | 165.8 | -173.3 | 164.3 | 3.1 | 0 | 0 | 109.1 | D186 L187 H188 L217 I279 | D186-Q277 PolarHBondContact O-N 2.9Å; L187-Q277 WeakPolarHBondContact CA-O 3.16Å; L187-Q277 HydrophobicContact CD1-CB 4.36Å; L187-Q277 HydrophobicContact CD1-CG 4.47Å; H188-Q277 PolarHBondContact N-O 3.02Å; L217-Q277 HydrophobicContact CB-CG 4.2Å; L217-Q277 HydrophobicContact CD2-CG 4.23Å; L217-Q277 HydrophobicContact CG-CG 4.42Å; Q277-I279 HydrophobicContact CG-CD1 4.46Å; Q277-I279 HydrophobicContact CG-CG1 4.1Å |
| 278 | V | 67.5 | Low | 43.5 | Very low | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 116.4 | -179.5 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | H188 M190 L193 W212 V216 L217 L218 V219 | H188-V278 HydrophobicContact CB-CG2 4.32Å; H188-V278 WeakPolarHBondContact O-CA 3.25Å; M190-V278 HydrophobicContact CB-CG1 4.38Å; M190-V278 HydrophobicContact CE-CG1 3.96Å; M190-V278 HydrophobicContact CG-CG1 3.17Å; M190-V278 HydrophobicContact SD-CG1 4.12Å; L193-V278 HydrophobicContact CD2-CG1 4.3Å; W212-V278 HydrophobicContact CE3-CG2 4.26Å; W212-V278 HydrophobicContact CH2-CG2 4.28Å; W212-V278 HydrophobicContact CZ3-CG2 4.12Å; V216-V278 HydrophobicContact CG1-CB 4.41Å; V216-V278 HydrophobicContact CG1-CG2 3.54Å; L217-V278 PolarHBondContact O-N 3.47Å; L218-V278 WeakPolarHBondContact CA-O 3.19Å; L218-V278 HydrophobicContact CD2-CB 3.56Å; L218-V278 HydrophobicContact CD2-CG1 3.94Å; L218-V278 HydrophobicContact CD2-CG2 3.9Å; V219-V278 PolarHBondContact N-O 3.05Å |
| 279 | I | 70.9 | Confident | 42.7 | Very low | 36 Ų | 36 | 84.6 Ų | 84.6 | 19% | 0.185 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.5 | -179.6 | -57.8 | -174.3 | 0 | 0 | 0 | 108.3 | L178 L187 H188 M190 V219 Q277 V281 | L178-I279 HydrophobicContact CD2-CD1 3.96Å; L187-I279 HydrophobicContact CD1-CD1 3.63Å; L187-I279 HydrophobicContact CD1-CG1 3.88Å; H188-I279 PolarHBondContact O-N 3.09Å; M190-I279 PolarHBondContact N-O 2.93Å; V219-I279 HydrophobicContact CB-CG1 4.38Å; V219-I279 HydrophobicContact CG2-CG1 4.48Å; Q277-I279 HydrophobicContact CG-CD1 4.46Å; Q277-I279 HydrophobicContact CG-CG1 4.1Å; I279-V281 PolarHBondContact O-N 3.08Å |
| 280 | R | 56.8 | Low | 42.5 | Very low | 39 Ų | 39 | 87 Ų | 87 | 15% | 0.147 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 125.8 | 166.1 | -164.1 | -169.9 | -179.5 | 172 | -4.6 | 108.7 | L193 V219 D220 | L193-R280 HydrophobicContact CD1-CB 3.87Å; L193-R280 HydrophobicContact CD1-CG 4.46Å; L193-R280 HydrophobicContact CD2-CB 4.35Å; L193-R280 HydrophobicContact CG-CB 3.8Å; L193-R280 HydrophobicContact CG-CG 4Å; V219-R280 WeakPolarHBondContact O-CB 3.19Å; V219-R280 PolarHBondContact O-N 2.96Å; D220-R280 WeakPolarHBondContact OD1-CD 3.41Å; D220-R280 IonicContact OD1-CZ 3.42Å; D220-R280 IonicContact OD1-NE 2.79Å; D220-R280 IonicContact OD1-NH1 3.76Å; D220-R280 PolarHBondContact OD1-NH1 3.03Å; D220-R280 VanDerWaalsContact OD1-NH1 3.11Å; D220-R280 IonicContact OD2-NH1 3.44Å; D220-R280 PolarHBondContact OD2-NH1 2.94Å |
| 281 | V | 45.3 | Very low | 42.6 | Very low | 27 Ų | 27 | 94.5 Ų | 94.5 | 16% | 0.164 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 126.3 | 165.6 | 163 | 0 | 0 | 0 | 0 | 107.8 | I189 M190 I279 R283 | I189-V281 HydrophobicContact CG2-CB 4.03Å; I189-V281 HydrophobicContact CG2-CG2 3.45Å; I189-V281 VanDerWaalsContact CG2-CG2 3.45Å; M190-V281 PolarHBondContact O-N 2.92Å; I279-V281 PolarHBondContact O-N 3.08Å; V281-R283 PolarHBondContact O-N 3.48Å |
| 282 | A | 34.8 | Very low | 42.2 | Very low | 27 Ų | 27 | 102.5 Ų | 102.5 | 22% | 0.223 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 125.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L221 Q284 | L221-A282 HydrophobicContact CD1-CB 3.18Å; L221-A282 HydrophobicContact CD2-CB 3.96Å; L221-A282 HydrophobicContact CG-CB 4.14Å; A282-Q284 PolarHBondContact O-N 3.36Å; A282-Q284 VanDerWaalsContact O-N 3.15Å |
| 283 | R | 34.3 | Very low | 41.6 | Very low | 225 Ų | 225 | 106.8 Ų | 106.8 | 85% | 0.849 | 52% | 0.517 | S | S | * | . | trans | -73.1 | 98 | 159 | -169.1 | 177.4 | -171.9 | -179.2 | 3.1 | 106.5 | V281 A285 | V281-R283 PolarHBondContact O-N 3.48Å; R283-A285 PolarHBondContact O-N 2.94Å | ||
| 284 | Q | 31.8 | Very low | 41.2 | Very low | 152 Ų | 152 | 102 Ų | 102 | 71% | 0.71 | 52% | 0.515 | S | S | * | . | trans | -66.3 | 106.9 | 167.9 | -161.5 | 81.5 | 22.6 | 0 | 0 | 106.3 | A282 L286 | A282-Q284 PolarHBondContact O-N 3.36Å; A282-Q284 VanDerWaalsContact O-N 3.15Å; Q284-L286 PolarHBondContact O-N 2.9Å; Q284-L286 VanDerWaalsContact O-N 3.1Å | ||
| 285 | A | 25.6 | Very low | 40.5 | Very low | 64 Ų | 64 | 106 Ų | 106 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | trans | -57.9 | 116 | 165.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | R283 H287 | R283-A285 PolarHBondContact O-N 2.94Å; A285-H287 PolarHBondContact O-N 3.37Å | ||
| 286 | L | 28.9 | Very low | 39.6 | Very low | 180 Ų | 180 | 108.8 Ų | 108.8 | 94% | 0.942 | 57% | 0.569 | S | S | * | * | trans | -64.4 | 83.9 | 165.2 | -90.6 | 152.5 | 0 | 0 | 0 | 107.1 | Q284 | Q284-L286 PolarHBondContact O-N 2.9Å; Q284-L286 VanDerWaalsContact O-N 3.1Å | ||
| 287 | H | 29.5 | Very low | 38.4 | Very low | 160 Ų | 160 | 113.8 Ų | 113.8 | 74% | 0.741 | 60% | 0.601 | S | S | * | * | trans | -97.9 | 126.4 | 160.4 | -87.2 | -65.2 | 0 | 0 | 0 | 108.6 | A285 V289 | A285-H287 PolarHBondContact O-N 3.37Å; H287-V289 PolarHBondContact O-N 3.43Å | ||
| 288 | D | 29.3 | Very low | 36.7 | Very low | 152 Ų | 152 | 118.7 Ų | 118.7 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | trans | -25.9 | 118.8 | 179.7 | -67.6 | -57.3 | 0 | 0 | 0 | 115.2 | P290 | D288-P290 WeakPolarHBondContact O-CD 3.37Š| ||
| 289 | V | 26.4 | Very low | 34.8 | Very low | 129 Ų | 129 | 128 Ų | 128 | 78% | 0.782 | 68% | 0.678 | S | S | * | * | trans | -83.9 | 110 | 162.7 | 177.7 | 0 | 0 | 0 | 0 | 107.3 | H287 R291 | H287-V289 PolarHBondContact O-N 3.43Å; V289-R291 PolarHBondContact O-N 3.37Å | ||
| 290 | P | 28.1 | Very low | 32.9 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 70% | 0.702 | S | S | * | * | trans | -66.1 | 111.4 | 169.8 | 25.3 | -30.9 | 0 | 0 | 0 | 108.9 | D288 H292 | D288-P290 WeakPolarHBondContact O-CD 3.37Å; P290-H292 VanDerWaalsContact C-N 3.34Å; P290-H292 PolarHBondContact O-N 2.97Å | ||
| 291 | R | 37.7 | Very low | 31.8 | Very low | 228 Ų | 228 | 137 Ų | 137 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -67.8 | 85.2 | 171.5 | -70.5 | -176.3 | -175.1 | 174.7 | 2.6 | 110.1 | V289 | V289-R291 PolarHBondContact O-N 3.37Š| ||
| 292 | H | 32.1 | Very low | 30.9 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -148.2 | 103.5 | 158.4 | -74.3 | -60.9 | 0 | 0 | 0 | 110.8 | P290 | P290-H292 VanDerWaalsContact C-N 3.34Å; P290-H292 PolarHBondContact O-N 2.97Å | ||
| 293 | L | 30.1 | Very low | 30.9 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -125.1 | 118.6 | 159.7 | -114.9 | 151.8 | 0 | 0 | 0 | 106.8 | ||||
| 294 | P | 33.1 | Very low | 31.1 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -74.5 | 142.4 | 179.2 | 28.8 | -31.8 | 0 | 0 | 0 | 111.2 | ||||
| 295 | A | 33.7 | Very low | 31 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -65.2 | 140.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 296 | L | 31.1 | Very low | 31.4 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -149.3 | 156.2 | 163.4 | -86.3 | -171.1 | 0 | 0 | 0 | 109.3 | ||||
| 297 | P | 32.5 | Very low | 31.4 | Very low | 106 Ų | 106 | 145 Ų | 145 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | -108 | 164.3 | -117.1 | 31.9 | -22.6 | 0 | 0 | 0 | 115.3 | F299 | P297-F299 PolarHBondContact O-N 3.29Š| |||
| 298 | S | 31.7 | Very low | 31.3 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -44.5 | 127.2 | 169.1 | -63.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 299 | F | 27.1 | Very low | 31.2 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -119.9 | 111.9 | 157.4 | -106.4 | -89.7 | 0 | 0 | 0 | 108.9 | P297 | P297-F299 PolarHBondContact O-N 3.29Š| ||
| 300 | A | 30.9 | Very low | 31.3 | Very low | 83 Ų | 83 | 140.7 Ų | 140.7 | 69% | 0.686 | 80% | 0.8 | S | S | * | * | trans | -83.6 | 151.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 301 | L | 33.1 | Very low | 31.3 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | trans | 137.5 | 128.1 | 165.1 | -79.2 | 158.3 | 0 | 0 | 0 | 107.6 | ||||
| 302 | G | 27.9 | Very low | 31 | Very low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | cis | -176.9 | 139.6 | -3.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 303 | L | 34.2 | Very low | 30.8 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -70.6 | 158.3 | 174.5 | -76.5 | 160.6 | 0 | 0 | 0 | 110.7 | ||||
| 304 | P | 37.3 | Very low | 31.4 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | -136 | 149.2 | 113.9 | 32.1 | -18.7 | 0 | 0 | 0 | 115.3 | |||||
| 305 | H | 31.5 | Very low | 31.2 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | -58.1 | 146 | 167.9 | -115.6 | -35.5 | 0 | 0 | 0 | 113.6 | ||||
| 306 | Q | 32.6 | Very low | 31.1 | Very low | 164 Ų | 164 | 135.2 Ų | 135.2 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | 179.4 | 135 | 101.8 | -93.3 | -152.6 | 45.8 | 0 | 0 | 113 | |||||
| 307 | N | 29.5 | Very low | 30.9 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | 38.6 | 137.5 | 137.4 | -58.7 | -20.2 | 0 | 0 | 0 | 120.1 | ||||
| 308 | G | 26.6 | Very low | 31 | Very low | 65 Ų | 65 | 131.8 Ų | 131.8 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | cis | 158 | 168.3 | 11.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 309 | S | 28.6 | Very low | 31 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 93.4 | 106 | 167.9 | -40.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 310 | Q | 28.8 | Very low | 31.1 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | 84 | 139.1 | 99.6 | -82.5 | -176.9 | -13.2 | 0 | 0 | 111.7 | |||||
| 311 | E | 27.8 | Very low | 31 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | cis | -178.5 | 163 | 3.9 | 179.1 | 156.9 | -174.7 | 0 | 0 | 107.3 | ||||
| 312 | S | 29.9 | Very low | 30.9 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | trans | 84 | 110.8 | 158.2 | 74.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 313 | Q | 29.2 | Very low | 30.8 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | -110.8 | 171.1 | 131.9 | -80.3 | -155.7 | 2.6 | 0 | 0 | 106.6 | ||||
| 314 | P | 42.6 | Very low | 30.9 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | cis | -141.3 | 175.5 | 20.9 | 36.1 | -13.4 | 0 | 0 | 0 | 116 | ||||
| 315 | G | 28.1 | Very low | 30.6 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -152.1 | 120.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 316 | T | 31.5 | Very low | 30.7 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -102.8 | 134.2 | -168.6 | -48.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 317 | G | 27 | Very low | 30.8 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 93.3 | 165.6 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 318 | P | 35.9 | Very low | 31.3 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 84% | 0.844 | 76% | 0.762 | S | S | * | * | cis | -126.7 | 170 | -12.6 | 37.7 | -20.7 | 0 | 0 | 0 | 115.3 | ||||
| 319 | S | 29.8 | Very low | 31.7 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -45.2 | 136.8 | 163.7 | 178.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 320 | L | 30 | Very low | 32.2 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 94% | 0.942 | 77% | 0.766 | S | S | * | * | trans | -138.3 | 131.3 | 151.6 | -93.9 | 172.1 | 0 | 0 | 0 | 110.6 | ||||
| 321 | A | 29.6 | Very low | 32.8 | Very low | 80 Ų | 80 | 129.7 Ų | 129.7 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | trans | -82.1 | 150.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 322 | L | 30.5 | Very low | 33.4 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | 23.9 | 117.9 | 139 | -81 | 138.8 | 0 | 0 | 0 | 119.3 | ||||
| 323 | G | 26.7 | Very low | 33.8 | Very low | 79 Ų | 79 | 128.1 Ų | 128.1 | 81% | 0.814 | 74% | 0.74 | S | S | * | * | trans | -161.8 | 67.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q325 | G323-Q325 PolarHBondContact O-N 3Š| ||
| 324 | Q | 34.8 | Very low | 34.1 | Very low | 173 Ų | 173 | 121.9 Ų | 121.9 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | trans | -69.9 | 120.8 | 169.4 | -80.6 | -172.8 | -3.2 | 0 | 0 | 109 | ||||
| 325 | Q | 32.2 | Very low | 33.8 | Very low | 166 Ų | 166 | 124.6 Ų | 124.6 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -128.4 | 88.9 | 156.7 | -161.4 | 161.2 | -12.3 | 0 | 0 | 107 | G323 M327 | G323-Q325 PolarHBondContact O-N 3Å; Q325-M327 PolarHBondContact O-N 2.92Å | ||
| 326 | V | 33.9 | Very low | 34 | Very low | 129 Ų | 129 | 131.9 Ų | 131.9 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | trans | -79.2 | 106.6 | 173.9 | 178.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 327 | M | 35 | Very low | 34.1 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 52% | 0.522 | 73% | 0.729 | S | S | . | * | trans | -81.2 | 134.2 | 170.1 | -70.2 | -153.5 | 176.7 | 0 | 0 | 110.3 | Q325 | Q325-M327 PolarHBondContact O-N 2.92Š| ||
| 328 | S | 39.8 | Very low | 34.7 | Very low | 59 Ų | 59 | 135.4 Ų | 135.4 | 41% | 0.413 | 73% | 0.733 | S | S | . | * | trans | -58.8 | 145.4 | 172.4 | 160.5 | 0 | 0 | 0 | 0 | 111.6 | E330 Q331 | S328-E330 PolarHBondContact O-N 3.06Å; S328-E330 VanDerWaalsContact O-N 3.1Å; S328-E330 PolarHBondContact OG-N 2.75Å; S328-Q331 PolarHBondContact O-N 3.43Å | ||
| 329 | W | 34.8 | Very low | 34.4 | Very low | 206 Ų | 206 | 132.7 Ų | 132.7 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -56.4 | -23.8 | 177.1 | -150.7 | 85.5 | 0 | 0 | 0 | 113 | L333 | W329-L333 HydrophobicContact CD2-CD1 4.41Å; W329-L333 HydrophobicContact CE3-CD1 3.67Å; W329-L333 HydrophobicContact CH2-CD1 3.81Å; W329-L333 HydrophobicContact CZ3-CD1 3.33Å |
| 330 | E | 38.3 | Very low | 34.5 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -75.5 | -29.3 | 177.1 | -65.8 | -175.8 | 154.7 | 0 | 0 | 113.1 | S328 | S328-E330 PolarHBondContact O-N 3.06Å; S328-E330 VanDerWaalsContact O-N 3.1Å; S328-E330 PolarHBondContact OG-N 2.75Å |
| 331 | Q | 40.5 | Very low | 34.5 | Very low | 117 Ų | 117 | 136 Ų | 136 | 55% | 0.547 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -79 | -28.5 | -178.2 | -71 | 178.4 | -23.8 | 0 | 0 | 112.7 | S328 | S328-Q331 PolarHBondContact O-N 3.43Å |
| 332 | L | 40.8 | Very low | 34.6 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 66% | 0.66 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -78.2 | -20.5 | 179 | -83.2 | 164.6 | 0 | 0 | 0 | 114 | ||
| 333 | L | 39.3 | Very low | 34.7 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 56% | 0.555 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -89.5 | -21.3 | 175.9 | -76.9 | 168 | 0 | 0 | 0 | 113.3 | W329 | W329-L333 HydrophobicContact CD2-CD1 4.41Å; W329-L333 HydrophobicContact CE3-CD1 3.67Å; W329-L333 HydrophobicContact CH2-CD1 3.81Å; W329-L333 HydrophobicContact CZ3-CD1 3.33Å |
| 334 | G | 34.8 | Very low | 34.9 | Very low | 56 Ų | 56 | 140.1 Ų | 140.1 | 58% | 0.577 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -76.3 | -26.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 335 | Q | 36 | Very low | 34.5 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 2.6 | -173.2 | -68.6 | -155.5 | 21.1 | 0 | 0 | 115.5 | ||
| 336 | R | 32.2 | Very low | 34.5 | Very low | 229 Ų | 229 | 141.8 Ų | 141.8 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 19.9 | -179 | -140.5 | 178.7 | -165.4 | -167.1 | 4.6 | 115.2 | ||
| 337 | L | 33.8 | Very low | 34.3 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -124.1 | 13.3 | 175.3 | -70.5 | 177.9 | 0 | 0 | 0 | 115.1 | ||
| 338 | T | 40.4 | Very low | 34 | Very low | 132 Ų | 132 | 147 Ų | 147 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -128.4 | 67.9 | 171 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | ||
| 339 | G | 29.8 | Very low | 33.5 | Very low | 73 Ų | 73 | 155.9 Ų | 155.9 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -155.1 | 103.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 340 | N | 30.9 | Very low | 33.4 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 91.6 | 60.3 | 157.9 | -125 | -3.1 | 0 | 0 | 0 | 118.4 | R342 | N340-R342 PolarHBondContact O-N 2.81Š| ||
| 341 | K | 30.6 | Very low | 33.2 | Very low | 207 Ų | 207 | 147.5 Ų | 147.5 | 90% | 0.9 | 78% | 0.776 | S | S | * | * | trans | -67.4 | 104.3 | 146.8 | -89.4 | -171.4 | 177.4 | -179.7 | 0 | 108.5 | ||||
| 342 | R | 31 | Very low | 33.1 | Very low | 220 Ų | 220 | 145.8 Ų | 145.8 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.1 | 161.1 | -66 | -179.1 | -177.6 | -173.3 | -0.2 | 108.3 | N340 G344 | N340-R342 PolarHBondContact O-N 2.81Å; R342-G344 PolarHBondContact O-N 3.22Å |
| 343 | P | 32.9 | Very low | 32.8 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 125.2 | 174.2 | 25 | -30.2 | 0 | 0 | 0 | 109.2 | R345 | P343-R345 PolarHBondContact O-N 3.01Š|
| 344 | G | 30.4 | Very low | 32.9 | Very low | 65 Ų | 65 | 148.6 Ų | 148.6 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 132.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R342 V346 | R342-G344 PolarHBondContact O-N 3.22Å; G344-V346 PolarHBondContact O-N 3.07Å; G344-V346 VanDerWaalsContact O-N 3.09Å |
| 345 | R | 27.7 | Very low | 32.9 | Very low | 239 Ų | 239 | 154.7 Ų | 154.7 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | trans | -62.1 | 108.4 | 162.3 | -90.8 | 179.5 | -122.2 | -118.6 | -2.3 | 108.3 | P343 W347 | P343-R345 PolarHBondContact O-N 3.01Å; R345-W347 PolarHBondContact O-N 3.23Å | ||
| 346 | V | 31.2 | Very low | 32.9 | Very low | 134 Ų | 134 | 150.9 Ų | 150.9 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 116.4 | 166.3 | 179.1 | 0 | 0 | 0 | 0 | 107 | G344 | G344-V346 PolarHBondContact O-N 3.07Å; G344-V346 VanDerWaalsContact O-N 3.09Å |
| 347 | W | 29.4 | Very low | 33.3 | Very low | 229 Ų | 229 | 152.5 Ų | 152.5 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 130 | 164.2 | -78.3 | 81 | 0 | 0 | 0 | 108 | R345 R349 | R345-W347 PolarHBondContact O-N 3.23Å; W347-R349 PolarHBondContact O-N 2.88Å |
| 348 | P | 29.8 | Very low | 33.3 | Very low | 116 Ų | 116 | 152.2 Ų | 152.2 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 128.5 | 174.4 | 5.8 | 3.1 | 0 | 0 | 0 | 109.6 | A350 | P348-A350 PolarHBondContact O-N 3.42Š|
| 349 | R | 28.7 | Very low | 32.9 | Very low | 245 Ų | 245 | 153.3 Ų | 153.3 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | trans | -59.7 | 115.5 | 169.5 | -143.7 | 176.7 | -171.2 | -176.7 | 1.3 | 107.6 | W347 A351 | W347-R349 PolarHBondContact O-N 2.88Å; R349-A351 PolarHBondContact O-N 2.58Å | ||
| 350 | A | 32.8 | Very low | 33.1 | Very low | 103 Ų | 103 | 157.7 Ų | 157.7 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -63.3 | 108 | 172 | 0 | 0 | 0 | 0 | 0 | 108.9 | P348 | P348-A350 PolarHBondContact O-N 3.42Š| ||
| 351 | A | 35 | Very low | 33.3 | Very low | 89 Ų | 89 | 158.2 Ų | 158.2 | 74% | 0.736 | 84% | 0.837 | S | S | * | * | trans | -71.8 | 133.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | R349 | R349-A351 PolarHBondContact O-N 2.58Š| ||
| 352 | G | 37.8 | Very low | 33.4 | Very low | 81 Ų | 81 | 155.1 Ų | 155.1 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | -62.8 | 134.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 353 | L | 33.9 | Very low | 33.6 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 85% | 0.848 | 83% | 0.834 | S | S | * | * | trans | -121.5 | 106.1 | 164.4 | -103.3 | 134.2 | 0 | 0 | 0 | 107.4 | ||||
| 354 | T | 41.8 | Very low | 33.6 | Very low | 129 Ų | 129 | 152.4 Ų | 152.4 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | -75.5 | 134.8 | 155.6 | 44.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 355 | K | 33.9 | Very low | 33.9 | Very low | 185 Ų | 185 | 159.2 Ų | 159.2 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | trans | 170.3 | 105.7 | 153.7 | -97.5 | 172.8 | -178.3 | -172.9 | 0 | 107.1 | ||||
| 356 | S | 37.4 | Very low | 34.4 | Very low | 95 Ų | 95 | 152.5 Ų | 152.5 | 66% | 0.664 | 84% | 0.842 | S | S | * | * | 57.9 | 92.5 | 91.7 | 74.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 357 | H | 41.1 | Very low | 34.7 | Very low | 262 Ų | 262 | 154.2 Ų | 154.2 | 100% | 1.213 | 84% | 0.844 | S | S | * | * | -173.2 | 0 | 113.4 | -101.8 | -60.2 | 0 | 0 | 0 | 110.6 |
Retrieved 357 of 357 residues in 51.8 ms
(Link to these results)