| 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 | 43.3 | Very low | 47.8 | Very low | 235 Ų | 235 | 176.7 Ų | 176.7 | 100% | 1.158 | 85% | 0.854 | S | S | * | * | 0 | 112.8 | 0 | -90.5 | 56.6 | 171.8 | 0 | 0 | 108.2 | |||||
| 2 | N | 43.1 | Very low | 47.7 | Very low | 173 Ų | 173 | 170.8 Ų | 170.8 | 93% | 0.925 | 84% | 0.844 | S | S | * | * | trans | -67.1 | 126.2 | -177.6 | -70.9 | -60 | 0 | 0 | 0 | 111 | ||||
| 3 | H | 49.5 | Very low | 47.5 | Very low | 162 Ų | 162 | 167.9 Ų | 167.9 | 75% | 0.75 | 85% | 0.846 | S | S | * | * | trans | -108 | 118.9 | 170.4 | -157.8 | -72.7 | 0 | 0 | 0 | 107.3 | D5 | H3-D5 PolarHBondContact O-N 3.21Š| ||
| 4 | P | 61.7 | Low | 46.9 | Very low | 109 Ų | 109 | 161.3 Ų | 161.3 | 71% | 0.708 | 84% | 0.84 | S | S | * | * | trans | -83.8 | 117.6 | 175.4 | 29.5 | -28.8 | 0 | 0 | 0 | 110.7 | Y6 | P4-Y6 PolarHBondContact O-N 3.44Š| ||
| 5 | D | 48.7 | Very low | 47.1 | Very low | 149 Ų | 149 | 159.5 Ų | 159.5 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | -65.6 | 110.3 | 165.4 | -73.6 | -72.7 | 0 | 0 | 0 | 110.5 | H3 K7 | H3-D5 PolarHBondContact O-N 3.21Å; D5-K7 PolarHBondContact O-N 3.28Å | ||
| 6 | Y | 43.8 | Very low | 47.6 | Very low | 206 Ų | 206 | 155.9 Ų | 155.9 | 81% | 0.808 | 83% | 0.829 | S | S | * | * | trans | -85.2 | 93.7 | 166.8 | 56.8 | -89.1 | 0 | 0 | 0 | 109.3 | P4 L8 | P4-Y6 PolarHBondContact O-N 3.44Å; Y6-L8 PolarHBondContact O-N 3.24Å | ||
| 7 | K | 53.9 | Low | 47 | Very low | 196 Ų | 196 | 161.2 Ų | 161.2 | 85% | 0.852 | 83% | 0.834 | S | S | * | * | trans | -72 | 122.3 | 169.3 | -82.3 | -159.7 | 178.2 | -176.9 | 0 | 110.7 | D5 N9 | D5-K7 PolarHBondContact O-N 3.28Å; K7-N9 PolarHBondContact O-N 3.2Å | ||
| 8 | L | 48.6 | Very low | 46.4 | Very low | 143 Ų | 143 | 156.8 Ų | 156.8 | 75% | 0.749 | 83% | 0.834 | S | S | * | * | trans | -65.2 | 119.7 | 168.6 | -69.1 | 164.7 | 0 | 0 | 0 | 110.3 | Y6 L10 | Y6-L8 PolarHBondContact O-N 3.24Å; L8-L10 HydrophobicContact CB-CD1 4.21Å | ||
| 9 | N | 45.8 | Very low | 46.4 | Very low | 165 Ų | 165 | 156.4 Ų | 156.4 | 88% | 0.882 | 84% | 0.838 | S | S | * | * | trans | -93.2 | 95.9 | 167.3 | -95.1 | -10.1 | 0 | 0 | 0 | 109.6 | K7 | K7-N9 PolarHBondContact O-N 3.2Š| ||
| 10 | L | 44.8 | Very low | 46.4 | Very low | 156 Ų | 156 | 154.7 Ų | 154.7 | 82% | 0.817 | 84% | 0.839 | S | S | * | * | trans | -77.8 | 120.3 | 163 | -86.9 | 83 | 0 | 0 | 0 | 108.8 | L8 | L8-L10 HydrophobicContact CB-CD1 4.21Š| ||
| 11 | R | 42.3 | Very low | 46.3 | Very low | 250 Ų | 250 | 152.1 Ų | 152.1 | 94% | 0.943 | 83% | 0.833 | S | S | * | * | trans | -101.3 | 111.1 | 170.8 | -157.6 | 179.7 | -170.8 | -152.7 | 2.3 | 108.9 | ||||
| 12 | S | 47.5 | Very low | 46.5 | Very low | 106 Ų | 106 | 148 Ų | 148 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | trans | -72 | 155.4 | 178.3 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 13 | P | 44 | Very low | 46.5 | Very low | 133 Ų | 133 | 147 Ų | 147 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -82.8 | 136.4 | 178 | 10.2 | 6.2 | 0 | 0 | 0 | 111.8 | ||||
| 14 | G | 39 | Very low | 45.9 | Very low | 75 Ų | 75 | 142.9 Ų | 142.9 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -108.6 | 131.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 15 | T | 51.3 | Low | 45.4 | Very low | 134 Ų | 134 | 143.6 Ų | 143.6 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | -145.6 | 170.7 | 165.7 | 44.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 16 | P | 54.6 | Low | 45.1 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 67% | 0.669 | 83% | 0.828 | S | S | * | * | cis | -133 | -170.8 | -39.3 | 31 | -10.1 | 0 | 0 | 0 | 112.2 | ||||
| 17 | R | 37.4 | Very low | 44.7 | Very low | 246 Ų | 246 | 137 Ų | 137 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | trans | 96.2 | 133 | 154.4 | -63.7 | -179.9 | 166.8 | -135.8 | -3.4 | 119.6 | ||||
| 18 | G | 36.7 | Very low | 44 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | 179.3 | 111.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 19 | V | 46.6 | Very low | 43.3 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 90% | 0.903 | 83% | 0.833 | S | S | * | * | trans | -82 | 156.2 | -173.5 | -70.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 20 | S | 46 | Very low | 43 | Very low | 122 Ų | 122 | 129 Ų | 129 | 85% | 0.853 | 83% | 0.833 | S | S | * | * | trans | -164.9 | 143.3 | 132.5 | -151.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 21 | S | 44.6 | Very low | 43 | Very low | 101 Ų | 101 | 127 Ų | 127 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | trans | -90.6 | 146 | -169.3 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 22 | V | 47.4 | Very low | 43.4 | Very low | 149 Ų | 149 | 121.1 Ų | 121.1 | 90% | 0.903 | 83% | 0.826 | S | S | * | * | trans | -147.8 | 146.2 | 142.4 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 23 | V | 41.6 | Very low | 43.2 | Very low | 151 Ų | 151 | 119.1 Ų | 119.1 | 92% | 0.915 | 82% | 0.823 | S | S | * | * | trans | -102.3 | 153.9 | -172.7 | -81.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 24 | G | 37.6 | Very low | 43.6 | Very low | 76 Ų | 76 | 120.6 Ų | 120.6 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | 163 | 148.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 25 | P | 52.2 | Low | 44.3 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | trans | -113.9 | 165.3 | -133.6 | 39 | -29.7 | 0 | 0 | 0 | 118 | ||||
| 26 | S | 40.9 | Very low | 44 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | 38.8 | 118.8 | 148.5 | -57 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 27 | A | 36 | Very low | 43.9 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 81% | 0.81 | 83% | 0.833 | S | S | * | * | -177.5 | 139.8 | 126 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 28 | V | 40.1 | Very low | 44.6 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 92% | 0.915 | 82% | 0.823 | S | S | * | * | trans | -23.7 | 149.1 | 161.7 | -66.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 29 | G | 33.7 | Very low | 45.3 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | trans | 148.7 | 110.9 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 30 | A | 38.7 | Very low | 45.6 | Very low | 107 Ų | 107 | 130.6 Ų | 130.6 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | trans | 44.6 | 132.9 | 139.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 31 | S | 44.9 | Very low | 45.6 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -64.6 | -177.3 | 156.1 | -51.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 32 | P | 50.3 | Low | 46 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | cis | -135.8 | 174 | -6.4 | 38.2 | -19.3 | 0 | 0 | 0 | 115 | ||||
| 33 | G | 43.2 | Very low | 46.4 | Very low | 65 Ų | 65 | 136 Ų | 136 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | trans | 84.9 | 116.2 | 143.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 34 | D | 52.2 | Low | 47.2 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -174.6 | 86.3 | 136.1 | -93.7 | -37.1 | 0 | 0 | 0 | 110 | K36 | D34-K36 PolarHBondContact O-N 3.05Š| ||
| 35 | K | 55.2 | Low | 48.5 | Very low | 214 Ų | 214 | 138 Ų | 138 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -73.5 | 83.1 | 163.2 | -73.6 | -178.6 | -179.1 | 170.3 | 0 | 108 | S37 | K35-S37 VanDerWaalsContact C-N 3.3Å; K35-S37 PolarHBondContact O-N 3.33Å | ||
| 36 | K | 44.5 | Very low | 49.4 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | trans | -66.9 | 89.5 | 169.8 | -168.7 | 113.9 | 178.2 | 179 | 0 | 109 | D34 K38 | D34-K36 PolarHBondContact O-N 3.05Å; K36-K38 VanDerWaalsContact C-N 3.26Å; K36-K38 HydrophobicContact CG-CG 4.39Å; K36-K38 PolarHBondContact O-N 2.94Å | ||
| 37 | S | 53.1 | Low | 51.1 | Low | 108 Ų | 108 | 145.8 Ų | 145.8 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | trans | -62.1 | 91.1 | 163.3 | 59.6 | 0 | 0 | 0 | 0 | 108.6 | K35 N39 | K35-S37 VanDerWaalsContact C-N 3.3Å; K35-S37 PolarHBondContact O-N 3.33Å; S37-N39 PolarHBondContact O-N 3.23Å | ||
| 38 | K | 50.2 | Low | 53.5 | Low | 164 Ų | 164 | 145.7 Ų | 145.7 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -72.2 | 78.6 | 161.3 | -86.4 | 177 | 177.5 | 166 | 0 | 107.2 | K36 K40 | K36-K38 VanDerWaalsContact C-N 3.26Å; K36-K38 HydrophobicContact CG-CG 4.39Å; K36-K38 PolarHBondContact O-N 2.94Å; K38-K40 PolarHBondContact O-N 3.16Å | ||
| 39 | N | 53.2 | Low | 56.1 | Low | 155 Ų | 155 | 144.7 Ų | 144.7 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | -70.5 | 74.2 | 160.9 | -155 | 8.9 | 0 | 0 | 0 | 107.3 | S37 S41 | S37-N39 PolarHBondContact O-N 3.23Å; N39-S41 PolarHBondContact O-N 2.92Å | ||
| 40 | K | 51.5 | Low | 59.1 | Low | 177 Ų | 177 | 144.1 Ų | 144.1 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -80.4 | 110.8 | 178.2 | -124.1 | -173 | -170.8 | 177.3 | 0 | 107.1 | K38 | K38-K40 PolarHBondContact O-N 3.16Š| ||
| 41 | S | 47.3 | Very low | 61.7 | Low | 82 Ų | 82 | 146.5 Ų | 146.5 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | trans | 77.8 | 88.6 | 148.3 | -160.9 | 0 | 0 | 0 | 0 | 115.9 | N39 R43 | N39-S41 PolarHBondContact O-N 2.92Å; S41-R43 PolarHBondContact O-N 3.05Å; S41-R43 WeakPolarHBondContact OG-CB 3.5Å; S41-R43 PolarHBondContact OG-N 3.38Å | ||
| 42 | M | 52.8 | Low | 64.2 | Low | 191 Ų | 191 | 146.9 Ų | 146.9 | 94% | 0.941 | 76% | 0.758 | S | S | * | * | trans | -65.2 | 64.7 | 144.5 | -73.8 | -78.8 | -85.9 | 0 | 0 | 109 | G44 | M42-G44 PolarHBondContact O-N 2.95Š| ||
| 43 | R | 55.4 | Low | 66.5 | Low | 214 Ų | 214 | 147.2 Ų | 147.2 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | trans | -75.4 | 113.8 | 162.2 | -138.7 | 167 | 170.9 | 171.7 | -3.7 | 104.5 | S41 K45 | S41-R43 PolarHBondContact O-N 3.05Å; S41-R43 WeakPolarHBondContact OG-CB 3.5Å; S41-R43 PolarHBondContact OG-N 3.38Å; R43-K45 PolarHBondContact O-N 3.16Å | ||
| 44 | G | 58.8 | Low | 69.1 | Low | 71 Ų | 71 | 149.1 Ų | 149.1 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | trans | -39.7 | 112.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | M42 K46 | M42-G44 PolarHBondContact O-N 2.95Å; G44-K46 PolarHBondContact O-N 3.47Å | ||
| 45 | K | 65.1 | Low | 71.3 | Confident | 198 Ų | 198 | 143.5 Ų | 143.5 | 86% | 0.861 | 71% | 0.71 | S | S | * | * | trans | -62.3 | 102.1 | 177.5 | -77.1 | 178.1 | 178.3 | 176 | 0 | 106.3 | R43 K47 | R43-K45 PolarHBondContact O-N 3.16Å; K45-K47 PolarHBondContact O-N 2.93Å | ||
| 46 | K | 70.2 | Confident | 73.3 | Confident | 206 Ų | 206 | 141.8 Ų | 141.8 | 90% | 0.896 | 70% | 0.703 | S | S | * | * | trans | -52.5 | 113.9 | 166.8 | -76.1 | 177.2 | 171.9 | 177.8 | 0 | 106.2 | G44 S48 | G44-K46 PolarHBondContact O-N 3.47Å; K46-S48 PolarHBondContact O-N 2.95Å | ||
| 47 | K | 77.1 | Confident | 75.8 | Confident | 200 Ų | 200 | 139 Ų | 139 | 87% | 0.87 | 69% | 0.693 | S | S | * | * | trans | -62.1 | 122.7 | 175.6 | -67.5 | -178.3 | -179.8 | 179.8 | 0 | 106.8 | K45 I49 | K45-K47 PolarHBondContact O-N 2.93Å; K47-I49 PolarHBondContact O-N 3.42Å | ||
| 48 | S | 86.9 | Confident | 78 | Confident | 97 Ų | 97 | 137.6 Ų | 137.6 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | trans | -63.5 | 126.4 | 172.7 | -173.4 | 0 | 0 | 0 | 0 | 107.9 | K46 F50 | K46-S48 PolarHBondContact O-N 2.95Å; S48-F50 VanDerWaalsContact C-N 3.27Å; S48-F50 PolarHBondContact OG-O 3.31Å | ||
| 49 | I | 94 | Very high | 80.3 | Confident | 129 Ų | 129 | 131.6 Ų | 131.6 | 66% | 0.662 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -72.7 | -30.7 | 176.9 | -59.5 | 164.2 | 0 | 0 | 0 | 109.9 | K47 V100 | K47-I49 PolarHBondContact O-N 3.42Å; I49-V100 HydrophobicContact CG2-CG2 4.04Å |
| 50 | F | 95.9 | Very high | 82.4 | Confident | 64 Ų | 64 | 126.5 Ų | 126.5 | 28% | 0.281 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -102 | 141.4 | -178.7 | -59.6 | -67.6 | 0 | 0 | 0 | 111.1 | S48 V99 N103 R104 | S48-F50 VanDerWaalsContact C-N 3.27Å; S48-F50 PolarHBondContact OG-O 3.31Å; F50-V99 WeakPolarHBondContact CE1-O 2.98Å; F50-N103 WeakPolarHBondContact CB-OD1 3.42Å; F50-R104 HydrophobicContact CB-CG 4.41Å; F50-R104 HydrophobicContact CD1-CG 4.07Å; F50-R104 HydrophobicContact CD2-CG 3.67Å; F50-R104 HydrophobicContact CE1-CG 4.24Å; F50-R104 HydrophobicContact CE2-CG 3.87Å; F50-R104 HydrophobicContact CG-CG 3.78Å; F50-R104 HydrophobicContact CZ-CG 4.15Å |
| 51 | E | 94.8 | Very high | 84.6 | Confident | 158 Ų | 158 | 122.9 Ų | 122.9 | 74% | 0.738 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 144.3 | 172.4 | -166.8 | 170.7 | -170.5 | 0 | 0 | 110.9 | N103 R104 | E51-N103 PolarHBondContact O-ND2 3.42Å; E51-N103 PolarHBondContact O-OD1 3.47Å; E51-R104 PolarHBondContact O-NH2 3.26Å |
| 52 | T | 96.9 | Very high | 87.1 | Confident | 121 Ų | 121 | 119 Ų | 119 | 74% | 0.742 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 143.2 | 172 | -59.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 53 | Y | 97.8 | Very high | 89.2 | Confident | 135 Ų | 135 | 112.5 Ų | 112.5 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -67.7 | 152.7 | 177.9 | -58.5 | -46.8 | 0 | 0 | 0 | 112 | R104 | Y53-R104 VanDerWaalsContact CE2-NH2 3.34Å; Y53-R104 VanDerWaalsContact OH-CZ 3.24Å; Y53-R104 PolarHBondContact OH-NE 3.26Å |
| 54 | M | 97.3 | Very high | 91.2 | Very high | 105 Ų | 105 | 110.6 Ų | 110.6 | 52% | 0.517 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -63.1 | 153.6 | 171 | -59.2 | -178 | 79.5 | 0 | 0 | 110.7 | D58 V59 L68 | M54-D58 HydrophobicContact CB-CB 4.45Å; M54-D58 HydrophobicContact CE-CB 4.04Å; M54-V59 HydrophobicContact CB-CG2 3.78Å; M54-L68 HydrophobicContact CE-CD1 4.21Å; M54-L68 HydrophobicContact SD-CD1 4.13Å; M54-L68 HydrophobicContact SD-CD2 4.36Å |
| 55 | S | 98.4 | Very high | 93 | Very high | 45 Ų | 45 | 114.5 Ų | 114.5 | 32% | 0.315 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 159.7 | 172.3 | 74.9 | 0 | 0 | 0 | 0 | 110.6 | E57 D58 V59 | S55-E57 VanDerWaalsContact CB-OE2 3.31Å; S55-E57 WeakPolarHBondContact CB-OE2 3.24Å; S55-E57 PolarHBondContact O-N 3.41Å; S55-E57 PolarHBondContact OG-OE2 2.74Å; S55-D58 PolarHBondContact O-N 2.95Å; S55-D58 WeakPolarHBondContact OG-CB 3.4Å; S55-D58 PolarHBondContact OG-N 3.1Å; S55-D58 VanDerWaalsContact OG-N 3.08Å; S55-D58 PolarHBondContact OG-OD2 2.83Å; S55-V59 WeakPolarHBondContact O-CG2 3.36Å; S55-V59 PolarHBondContact O-N 2.94Å; S55-V59 VanDerWaalsContact O-N 3.09Å |
| 56 | K | 97.8 | Very high | 94.5 | Very high | 178 Ų | 178 | 107.9 Ų | 107.9 | 77% | 0.774 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.1 | -34.8 | 179.2 | -68.9 | -177.6 | 178.7 | -179 | 0 | 110.8 | S60 | K56-S60 WeakPolarHBondContact O-CB 3.48Å; K56-S60 PolarHBondContact O-N 3.08Å |
| 57 | E | 98.3 | Very high | 95.7 | Very high | 120 Ų | 120 | 101.4 Ų | 101.4 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.1 | -54.4 | 177.5 | -60.6 | 71.1 | -155.7 | 0 | 0 | 109.5 | S55 V59 S60 E61 | S55-E57 VanDerWaalsContact CB-OE2 3.31Å; S55-E57 WeakPolarHBondContact CB-OE2 3.24Å; S55-E57 PolarHBondContact O-N 3.41Å; S55-E57 PolarHBondContact OG-OE2 2.74Å; E57-V59 VanDerWaalsContact C-N 3.32Å; E57-V59 PolarHBondContact O-N 3.34Å; E57-S60 PolarHBondContact O-N 3.05Å; E57-S60 VanDerWaalsContact O-N 3.1Å; E57-S60 PolarHBondContact O-OG 3.16Å; E57-E61 WeakPolarHBondContact O-CG 3.06Å; E57-E61 PolarHBondContact O-N 3.4Å |
| 58 | D | 98 | Very high | 96.7 | Very high | 79 Ų | 79 | 92.4 Ų | 92.4 | 42% | 0.422 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 179.8 | -63.8 | -40.6 | 0 | 0 | 0 | 112.5 | M54 S55 G62 | M54-D58 HydrophobicContact CB-CB 4.45Å; M54-D58 HydrophobicContact CE-CB 4.04Å; S55-D58 PolarHBondContact O-N 2.95Å; S55-D58 WeakPolarHBondContact OG-CB 3.4Å; S55-D58 PolarHBondContact OG-N 3.1Å; S55-D58 VanDerWaalsContact OG-N 3.08Å; S55-D58 PolarHBondContact OG-OD2 2.83Å; D58-G62 WeakPolarHBondContact O-CA 3.27Å; D58-G62 PolarHBondContact O-N 2.79Å |
| 59 | V | 98.3 | Very high | 97.2 | Very high | 38 Ų | 38 | 89 Ų | 89 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 175.3 | 171.3 | 0 | 0 | 0 | 0 | 110 | M54 S55 E57 E61 G62 L63 V112 | M54-V59 HydrophobicContact CB-CG2 3.78Å; S55-V59 WeakPolarHBondContact O-CG2 3.36Å; S55-V59 PolarHBondContact O-N 2.94Å; S55-V59 VanDerWaalsContact O-N 3.09Å; E57-V59 VanDerWaalsContact C-N 3.32Å; E57-V59 PolarHBondContact O-N 3.34Å; V59-E61 VanDerWaalsContact C-N 3.34Å; V59-E61 PolarHBondContact O-N 3.09Å; V59-G62 PolarHBondContact O-N 3.4Å; V59-L63 HydrophobicContact CG1-CD1 3.82Å; V59-L63 HydrophobicContact CG1-CG 4.36Å; V59-L63 WeakPolarHBondContact O-CB 3.45Å; V59-L63 VanDerWaalsContact O-CG 3.27Å; V59-L63 WeakPolarHBondContact O-CG 3.37Å; V59-L63 PolarHBondContact O-N 3.21Å; V59-V112 HydrophobicContact CG1-CG1 4.42Å; V59-V112 HydrophobicContact CG1-CG2 3.98Å |
| 60 | S | 98.3 | Very high | 97.4 | Very high | 49 Ų | 49 | 87.9 Ų | 87.9 | 34% | 0.343 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | -178.7 | 79.8 | 0 | 0 | 0 | 0 | 112.3 | K56 E57 K64 | K56-S60 WeakPolarHBondContact O-CB 3.48Å; K56-S60 PolarHBondContact O-N 3.08Å; E57-S60 PolarHBondContact O-N 3.05Å; E57-S60 VanDerWaalsContact O-N 3.1Å; E57-S60 PolarHBondContact O-OG 3.16Å; S60-K64 WeakPolarHBondContact O-CD 3.5Å; S60-K64 VanDerWaalsContact O-CG 3.24Å; S60-K64 WeakPolarHBondContact O-CG 3.38Å; S60-K64 PolarHBondContact O-N 2.93Å; S60-K64 VanDerWaalsContact O-N 3.16Å |
| 61 | E | 98.4 | Very high | 97.5 | Very high | 101 Ų | 101 | 85.2 Ų | 85.2 | 47% | 0.472 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.6 | -41.7 | 177.1 | -67.6 | -174.9 | 177.9 | 0 | 0 | 111.6 | E57 V59 L63 K64 R65 | E57-E61 WeakPolarHBondContact O-CG 3.06Å; E57-E61 PolarHBondContact O-N 3.4Å; V59-E61 VanDerWaalsContact C-N 3.34Å; V59-E61 PolarHBondContact O-N 3.09Å; E61-L63 VanDerWaalsContact C-N 3.31Å; E61-L63 PolarHBondContact O-N 2.63Å; E61-K64 PolarHBondContact O-N 2.99Å; E61-R65 WeakPolarHBondContact O-CG 3.34Å; E61-R65 PolarHBondContact O-N 3.39Å; E61-R65 IonicContact OE2-NH1 3.83Å |
| 62 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62 | -39 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | D58 V59 G66 T67 L68 | D58-G62 WeakPolarHBondContact O-CA 3.27Å; D58-G62 PolarHBondContact O-N 2.79Å; V59-G62 PolarHBondContact O-N 3.4Å; G62-G66 PolarHBondContact O-N 2.87Å; G62-T67 WeakPolarHBondContact CA-OG1 3.45Å; G62-T67 PolarHBondContact O-N 3.37Å; G62-T67 PolarHBondContact O-OG1 2.63Å; G62-T67 VanDerWaalsContact O-OG1 3.05Å; G62-L68 PolarHBondContact O-N 2.96Å; G62-L68 VanDerWaalsContact O-N 3.16Å |
| 63 | L | 97.6 | Very high | 97.7 | Very high | 55 Ų | 55 | 75.5 Ų | 75.5 | 29% | 0.288 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.5 | -44.9 | 172.9 | -69.9 | 171.5 | 0 | 0 | 0 | 111.6 | V59 E61 R65 G66 L68 Q70 V112 | V59-L63 HydrophobicContact CG1-CD1 3.82Å; V59-L63 HydrophobicContact CG1-CG 4.36Å; V59-L63 WeakPolarHBondContact O-CB 3.45Å; V59-L63 VanDerWaalsContact O-CG 3.27Å; V59-L63 WeakPolarHBondContact O-CG 3.37Å; V59-L63 PolarHBondContact O-N 3.21Å; E61-L63 VanDerWaalsContact C-N 3.31Å; E61-L63 PolarHBondContact O-N 2.63Å; L63-R65 VanDerWaalsContact C-N 3.27Å; L63-R65 PolarHBondContact O-N 3.12Å; L63-G66 PolarHBondContact O-N 2.83Å; L63-L68 HydrophobicContact CD2-CB 4.05Å; L63-L68 HydrophobicContact CG-CB 4.39Å; L63-Q70 HydrophobicContact CD2-CB 3.89Å; L63-V112 HydrophobicContact CD1-CG2 4.33Å; L63-V112 HydrophobicContact CD2-CG1 4.03Å; L63-V112 HydrophobicContact CD2-CG2 4.43Å; L63-V112 HydrophobicContact CG-CG1 4.45Å |
| 64 | K | 97.5 | Very high | 97.8 | Very high | 174 Ų | 174 | 74.4 Ų | 74.4 | 76% | 0.757 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -59.6 | -37 | 176.5 | -75.2 | 169 | -174.2 | 171.3 | 0 | 112.8 | S60 E61 G66 | S60-K64 WeakPolarHBondContact O-CD 3.5Å; S60-K64 VanDerWaalsContact O-CG 3.24Å; S60-K64 WeakPolarHBondContact O-CG 3.38Å; S60-K64 PolarHBondContact O-N 2.93Å; S60-K64 VanDerWaalsContact O-N 3.16Å; E61-K64 PolarHBondContact O-N 2.99Å; K64-G66 VanDerWaalsContact C-N 3.31Å |
| 65 | R | 97.3 | Very high | 97.8 | Very high | 153 Ų | 153 | 70.9 Ų | 70.9 | 58% | 0.577 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -11.3 | 177.2 | -66.3 | -171 | -43.8 | -94.8 | -6.4 | 113.7 | E61 L63 T67 | E61-R65 WeakPolarHBondContact O-CG 3.34Å; E61-R65 PolarHBondContact O-N 3.39Å; E61-R65 IonicContact OE2-NH1 3.83Å; L63-R65 VanDerWaalsContact C-N 3.27Å; L63-R65 PolarHBondContact O-N 3.12Å; R65-T67 HydrophobicContact CB-CG2 4.07Å; R65-T67 PolarHBondContact NH2-OG1 2.84Å; R65-T67 PolarHBondContact O-N 3.42Å |
| 66 | G | 95.5 | Very high | 97.8 | Very high | 58 Ų | 58 | 70.8 Ų | 70.8 | 60% | 0.598 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 11.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G62 L63 K64 L68 | G62-G66 PolarHBondContact O-N 2.87Å; L63-G66 PolarHBondContact O-N 2.83Å; K64-G66 VanDerWaalsContact C-N 3.31Å; G66-L68 VanDerWaalsContact C-N 3.31Å |
| 67 | T | 96.4 | Very high | 97.8 | Very high | 70 Ų | 70 | 68.3 Ų | 68.3 | 43% | 0.429 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -82 | -13.1 | 176.9 | 55.5 | 0 | 0 | 0 | 0 | 113.3 | G62 R65 | G62-T67 WeakPolarHBondContact CA-OG1 3.45Å; G62-T67 PolarHBondContact O-N 3.37Å; G62-T67 PolarHBondContact O-OG1 2.63Å; G62-T67 VanDerWaalsContact O-OG1 3.05Å; R65-T67 HydrophobicContact CB-CG2 4.07Å; R65-T67 PolarHBondContact NH2-OG1 2.84Å; R65-T67 PolarHBondContact O-N 3.42Å |
| 68 | L | 97.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.063 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -122.8 | 147.5 | 174.7 | -64 | -179.8 | 0 | 0 | 0 | 109 | M54 G62 L63 G66 V112 V113 K114 | M54-L68 HydrophobicContact CE-CD1 4.21Å; M54-L68 HydrophobicContact SD-CD1 4.13Å; M54-L68 HydrophobicContact SD-CD2 4.36Å; G62-L68 PolarHBondContact O-N 2.96Å; G62-L68 VanDerWaalsContact O-N 3.16Å; L63-L68 HydrophobicContact CD2-CB 4.05Å; L63-L68 HydrophobicContact CG-CB 4.39Å; G66-L68 VanDerWaalsContact C-N 3.31Å; L68-V112 HydrophobicContact CB-CG1 3.56Å; L68-V112 HydrophobicContact CD1-CG1 3.78Å; L68-V112 HydrophobicContact CD2-CG1 4.44Å; L68-V112 HydrophobicContact CG-CG1 4.13Å; L68-V113 WeakPolarHBondContact CA-O 3.42Å; L68-K114 HydrophobicContact CD2-CB 3.71Å; L68-K114 HydrophobicContact CD2-CG 4.18Å |
| 69 | I | 97.3 | Very high | 97.7 | Very high | 26 Ų | 26 | 73.5 Ų | 73.5 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130 | -178.7 | -59.7 | 174.3 | 0 | 0 | 0 | 108.3 | I85 P88 I94 V112 V113 L115 | I69-I85 HydrophobicContact CG2-CD1 4.03Å; I69-P88 HydrophobicContact CD1-CG 4.29Å; I69-P88 HydrophobicContact CG2-CG 4.18Å; I69-I94 HydrophobicContact CB-CD1 4.24Å; I69-I94 HydrophobicContact CD1-CD1 3.55Å; I69-I94 HydrophobicContact CG1-CD1 4.49Å; I69-I94 HydrophobicContact CG2-CD1 3.79Å; I69-V112 CarbonylContact O-C 3.51Å; I69-V112 WeakPolarHBondContact O-CA 3.49Å; I69-V113 HydrophobicContact CB-CG2 4.06Å; I69-V113 PolarHBondContact N-O 2.87Å; I69-V113 PolarHBondContact O-N 3.45Å; I69-L115 HydrophobicContact CD1-CD1 3.83Å; I69-L115 HydrophobicContact CD1-CD2 4.24Å; I69-L115 HydrophobicContact CD1-CG 3.91Å |
| 70 | Q | 97.6 | Very high | 97.6 | Very high | 104 Ų | 104 | 77.2 Ų | 77.2 | 49% | 0.486 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.5 | 177.5 | -175.6 | -179.4 | -52.1 | 0 | 0 | 110.4 | L63 L110 V111 V112 | L63-Q70 HydrophobicContact CD2-CB 3.89Å; Q70-L110 HydrophobicContact CG-CD1 3.9Å; Q70-L110 HydrophobicContact CG-CG 4.17Å; Q70-V111 VanDerWaalsContact CA-O 3.31Å; Q70-V111 WeakPolarHBondContact CA-O 3.27Å; Q70-V112 HydrophobicContact CB-CG2 4.29Å; Q70-V112 HydrophobicContact CG-CG2 4.24Å |
| 71 | G | 97.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 79.1 Ų | 79.1 | 9% | 0.093 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 164.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V111 | G71-V111 PolarHBondContact N-O 2.91Å; G71-V111 WeakPolarHBondContact O-CG2 2.97Å; G71-V111 PolarHBondContact O-N 2.94Å |
| 72 | V | 98.4 | Very high | 97.5 | Very high | 73 Ų | 73 | 76.4 Ų | 76.4 | 44% | 0.442 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.7 | 174 | 179.7 | 0 | 0 | 0 | 0 | 109.3 | P86 D109 L110 | V72-P86 WeakPolarHBondContact O-CD 3.48Å; V72-D109 WeakPolarHBondContact CA-O 3.48Å; V72-L110 HydrophobicContact CG2-CD1 4.23Å |
| 73 | L | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | trans | -77 | 128.1 | -177.9 | -173 | 65.5 | 0 | 0 | 0 | 112.2 | I75 A83 I85 I96 R102 A105 G108 D109 V111 | L73-I75 HydrophobicContact CG-CG1 4.49Å; L73-A83 HydrophobicContact CD1-CB 3.85Å; L73-I85 HydrophobicContact CB-CG2 4.46Å; L73-I85 HydrophobicContact CD1-CG2 3.92Å; L73-I96 HydrophobicContact CD1-CD1 3.63Å; L73-R102 HydrophobicContact CD2-CG 3.67Å; L73-A105 HydrophobicContact CD2-CB 3.45Å; L73-A105 VanDerWaalsContact CD2-CB 3.45Å; L73-G108 PolarHBondContact O-N 3.24Å; L73-D109 PolarHBondContact N-O 2.81Å; L73-V111 HydrophobicContact CB-CG1 4.21Å; L73-V111 HydrophobicContact CB-CG2 4.09Å; L73-V111 HydrophobicContact CD1-CG2 4.5Å; L73-V111 HydrophobicContact CD2-CG1 4.29Å | ||
| 74 | R | 98.6 | Very high | 97.6 | Very high | 113 Ų | 113 | 76.5 Ų | 76.5 | 43% | 0.426 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.9 | 172.6 | -65.7 | -178.6 | -69 | 142 | -1.1 | 109.9 | A83 F84 D93 N107 | R74-A83 CarbonylContact O-C 3.59Å; R74-A83 VanDerWaalsContact O-CA 3.24Å; R74-A83 WeakPolarHBondContact O-CA 3.36Å; R74-F84 PolarHBondContact N-O 3.12Å; R74-F84 PolarHBondContact O-N 3.2Å; R74-D93 IonicContact CZ-OD2 2.62Å; R74-D93 IonicContact NH1-OD2 2.93Å; R74-D93 IonicContact NH2-OD1 2.93Å; R74-D93 PolarHBondContact NH2-OD1 2.74Å; R74-D93 IonicContact NH2-OD2 2.99Å; R74-D93 PolarHBondContact NH2-OD2 3.39Å; R74-N107 WeakPolarHBondContact CA-OD1 3.45Å |
| 75 | I | 98.7 | Very high | 97.6 | Very high | 31 Ų | 31 | 68.2 Ų | 68.2 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.3 | 176.5 | -60.1 | 169.5 | 0 | 0 | 0 | 108.7 | L73 P77 F80 A83 R102 N107 | L73-I75 HydrophobicContact CG-CG1 4.49Å; I75-P77 WeakPolarHBondContact O-CD 3.45Å; I75-F80 HydrophobicContact CG2-CB 4.38Å; I75-A83 HydrophobicContact CG1-CB 4.13Å; I75-R102 VanDerWaalsContact CD1-CZ 3.46Å; I75-N107 HydrophobicContact CB-CB 4.27Å; I75-N107 HydrophobicContact CD1-CB 4.03Å; I75-N107 HydrophobicContact CG1-CB 4.2Å; I75-N107 PolarHBondContact N-OD1 3.32Å |
| 76 | N | 97.9 | Very high | 97.6 | Very high | 42 Ų | 42 | 63.7 Ų | 63.7 | 23% | 0.225 | 33% | 0.332 | C | S | . | . | trans | -67.9 | 117.5 | 174.5 | -177.9 | -17.5 | 0 | 0 | 0 | 109.8 | K78 K79 F80 E82 | N76-K78 PolarHBondContact O-N 3.32Å; N76-K78 PolarHBondContact OD1-N 2.99Å; N76-K79 HydrophobicContact CB-CB 4.38Å; N76-K79 WeakPolarHBondContact CB-O 3.39Å; N76-K79 CarbonylContact O-C 3.11Å; N76-K79 PolarHBondContact O-N 2.97Å; N76-K79 PolarHBondContact OD1-N 3Å; N76-F80 WeakPolarHBondContact O-CA 3.34Å; N76-F80 PolarHBondContact O-N 3.17Å; N76-E82 HydrophobicContact CB-CB 4.05Å; N76-E82 PolarHBondContact N-O 2.62Å; N76-E82 PolarHBondContact ND2-OE2 2.93Å; N76-E82 VanDerWaalsContact ND2-OE2 3.14Å | ||
| 77 | P | 96.9 | Very high | 97.5 | Very high | 127 Ų | 127 | 62 Ų | 62 | 83% | 0.825 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -67.6 | -24.2 | -175.9 | 27.3 | -35.1 | 0 | 0 | 0 | 112.9 | I75 | I75-P77 WeakPolarHBondContact O-CD 3.45Š|
| 78 | K | 97.8 | Very high | 97.2 | Very high | 195 Ų | 195 | 62.8 Ų | 62.8 | 85% | 0.848 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -86 | -28.2 | 176.7 | -63.6 | -175.3 | 178.8 | -179.2 | 0 | 112.4 | N76 | N76-K78 PolarHBondContact O-N 3.32Å; N76-K78 PolarHBondContact OD1-N 2.99Å |
| 79 | K | 97.1 | Very high | 96.9 | Very high | 112 Ų | 112 | 68.4 Ų | 68.4 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | trans | -132.5 | 80 | -179.1 | -68.5 | -172.6 | -77.2 | 164.4 | 0 | 109.4 | N76 H81 E82 | N76-K79 HydrophobicContact CB-CB 4.38Å; N76-K79 WeakPolarHBondContact CB-O 3.39Å; N76-K79 CarbonylContact O-C 3.11Å; N76-K79 PolarHBondContact O-N 2.97Å; N76-K79 PolarHBondContact OD1-N 3Å; K79-H81 PolarHBondContact O-N 2.84Å; K79-E82 HydrophobicContact CB-CB 4.34Å; K79-E82 HydrophobicContact CB-CG 4.08Å; K79-E82 WeakPolarHBondContact CD-OE1 3.32Å; K79-E82 VanDerWaalsContact CE-CD 3.43Å; K79-E82 VanDerWaalsContact CE-OE1 3.27Å; K79-E82 WeakPolarHBondContact CE-OE1 3.31Å; K79-E82 WeakPolarHBondContact CE-OE2 3.31Å; K79-E82 IonicContact NZ-OE1 2.63Å; K79-E82 PolarHBondContact NZ-OE1 2.82Å; K79-E82 IonicContact NZ-OE2 2.67Å; K79-E82 PolarHBondContact NZ-OE2 3.14Å; K79-E82 WeakPolarHBondContact O-CB 3.34Å; K79-E82 PolarHBondContact O-N 3.35Å | ||
| 80 | F | 96.8 | Very high | 96.4 | Very high | 117 Ų | 117 | 70.2 Ų | 70.2 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -12.2 | -170.8 | 69.8 | -94 | 0 | 0 | 0 | 115.3 | I75 N76 E82 V99 R102 | I75-F80 HydrophobicContact CG2-CB 4.38Å; N76-F80 WeakPolarHBondContact O-CA 3.34Å; N76-F80 PolarHBondContact O-N 3.17Å; F80-E82 VanDerWaalsContact C-N 3.33Å; F80-V99 HydrophobicContact CD2-CG1 4.01Å; F80-V99 HydrophobicContact CE2-CG1 4.01Å; F80-R102 PolarHBondContact O-NH1 3.49Å |
| 81 | H | 97.1 | Very high | 95.8 | Very high | 89 Ų | 89 | 72 Ų | 72 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -22.7 | 171 | -62.2 | -70.6 | 0 | 0 | 0 | 112.3 | K79 G98 | K79-H81 PolarHBondContact O-N 2.84Å; H81-G98 VanDerWaalsContact O-CA 3.27Å; H81-G98 WeakPolarHBondContact O-CA 3.24Å; H81-G98 PolarHBondContact O-N 3.46Å |
| 82 | E | 97.9 | Very high | 95.4 | Very high | 44 Ų | 44 | 81.5 Ų | 81.5 | 21% | 0.206 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 122.1 | 178.2 | -64.1 | 179.9 | 179.5 | 0 | 0 | 109.8 | N76 K79 F80 F84 F95 | N76-E82 HydrophobicContact CB-CB 4.05Å; N76-E82 PolarHBondContact N-O 2.62Å; N76-E82 PolarHBondContact ND2-OE2 2.93Å; N76-E82 VanDerWaalsContact ND2-OE2 3.14Å; K79-E82 HydrophobicContact CB-CB 4.34Å; K79-E82 HydrophobicContact CB-CG 4.08Å; K79-E82 WeakPolarHBondContact CD-OE1 3.32Å; K79-E82 VanDerWaalsContact CE-CD 3.43Å; K79-E82 VanDerWaalsContact CE-OE1 3.27Å; K79-E82 WeakPolarHBondContact CE-OE1 3.31Å; K79-E82 WeakPolarHBondContact CE-OE2 3.31Å; K79-E82 IonicContact NZ-OE1 2.63Å; K79-E82 PolarHBondContact NZ-OE1 2.82Å; K79-E82 IonicContact NZ-OE2 2.67Å; K79-E82 PolarHBondContact NZ-OE2 3.14Å; K79-E82 WeakPolarHBondContact O-CB 3.34Å; K79-E82 PolarHBondContact O-N 3.35Å; F80-E82 VanDerWaalsContact C-N 3.33Å; E82-F84 HydrophobicContact CB-CE2 4.08Å; E82-F84 HydrophobicContact CB-CZ 4.32Å; E82-F95 HydrophobicContact CB-CE2 3.8Å; E82-F95 HydrophobicContact CB-CZ 4.43Å; E82-F95 HydrophobicContact CG-CE2 3.82Å; E82-F95 HydrophobicContact CG-CZ 4Å |
| 83 | A | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 158.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L73 R74 I75 I96 | L73-A83 HydrophobicContact CD1-CB 3.85Å; R74-A83 CarbonylContact O-C 3.59Å; R74-A83 VanDerWaalsContact O-CA 3.24Å; R74-A83 WeakPolarHBondContact O-CA 3.36Å; I75-A83 HydrophobicContact CG1-CB 4.13Å; A83-I96 HydrophobicContact CB-CB 4.22Å; A83-I96 PolarHBondContact N-O 2.67Å; A83-I96 VanDerWaalsContact N-O 3.12Å; A83-I96 PolarHBondContact O-N 2.93Å |
| 84 | F | 98.1 | Very high | 95.2 | Very high | 56 Ų | 56 | 82.5 Ų | 82.5 | 25% | 0.246 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 144.8 | -171.1 | -57.1 | -87.1 | 0 | 0 | 0 | 110.6 | R74 E82 D93 I94 F95 | R74-F84 PolarHBondContact N-O 3.12Å; R74-F84 PolarHBondContact O-N 3.2Å; E82-F84 HydrophobicContact CB-CE2 4.08Å; E82-F84 HydrophobicContact CB-CZ 4.32Å; F84-D93 HydrophobicContact CB-CB 4.08Å; F84-D93 HydrophobicContact CD1-CB 4.08Å; F84-D93 HydrophobicContact CG-CB 4.49Å; F84-I94 WeakPolarHBondContact CA-O 3.34Å; F84-F95 HydrophobicContact CD1-CB 4.48Å; F84-F95 AromaticContact CD1-CD2 3.97Å; F84-F95 HydrophobicContact CD1-CD2 3.97Å; F84-F95 HydrophobicContact CE1-CB 4.34Å; F84-F95 AromaticContact CE1-CD2 3.39Å; F84-F95 HydrophobicContact CE1-CD2 3.39Å; F84-F95 HydrophobicContact CE1-CE2 4.1Å; F84-F95 HydrophobicContact CE1-CG 4.26Å; F84-F95 AromaticContact CZ-CD2 3.72Å; F84-F95 HydrophobicContact CZ-CD2 3.72Å; F84-F95 AromaticContact CZ-CE2 3.95Å; F84-F95 HydrophobicContact CZ-CE2 3.95Å |
| 85 | I | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 149.6 | 160.9 | 66.5 | 164.1 | 0 | 0 | 0 | 109.6 | I69 L73 S87 D93 I94 I96 V111 V113 | I69-I85 HydrophobicContact CG2-CD1 4.03Å; L73-I85 HydrophobicContact CB-CG2 4.46Å; L73-I85 HydrophobicContact CD1-CG2 3.92Å; I85-S87 PolarHBondContact O-N 2.87Å; I85-D93 CarbonylContact O-C 3.54Å; I85-D93 WeakPolarHBondContact O-CA 3.12Å; I85-D93 WeakPolarHBondContact O-CB 3.33Å; I85-I94 HydrophobicContact CD1-CB 4.46Å; I85-I94 HydrophobicContact CD1-CD1 3.93Å; I85-I94 HydrophobicContact CG1-CB 3.75Å; I85-I94 HydrophobicContact CG1-CD1 3.99Å; I85-I94 HydrophobicContact CG1-CG1 4.38Å; I85-I94 HydrophobicContact CG1-CG2 4.36Å; I85-I94 PolarHBondContact N-O 3.42Å; I85-I94 VanDerWaalsContact N-O 3.12Å; I85-I94 PolarHBondContact O-N 2.97Å; I85-I96 HydrophobicContact CG2-CD1 4.16Å; I85-V111 HydrophobicContact CG2-CG2 3.72Å; I85-V113 HydrophobicContact CD1-CB 4.29Å; I85-V113 HydrophobicContact CD1-CG1 3.98Å; I85-V113 HydrophobicContact CD1-CG2 3.32Å; I85-V113 HydrophobicContact CG1-CG2 4.35Å |
| 86 | P | 96.6 | Very high | 95.1 | Very high | 58 Ų | 58 | 80 Ų | 80 | 38% | 0.377 | 41% | 0.414 | S | S | . | . | trans | -56.4 | 137 | 173 | -22.9 | 33.9 | 0 | 0 | 0 | 111.7 | V72 D93 | V72-P86 WeakPolarHBondContact O-CD 3.48Å; P86-D93 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 87 | S | 93.6 | Very high | 95.1 | Very high | 23 Ų | 23 | 81.8 Ų | 81.8 | 16% | 0.161 | 42% | 0.423 | C | S | . | . | trans | -69.7 | 140.2 | 167.2 | 167.4 | 0 | 0 | 0 | 0 | 109.8 | I85 D89 G90 R92 | I85-S87 PolarHBondContact O-N 2.87Å; S87-D89 PolarHBondContact O-N 2.8Å; S87-D89 PolarHBondContact OG-N 2.86Å; S87-G90 PolarHBondContact O-N 3.38Å; S87-R92 WeakPolarHBondContact CB-O 3.45Å | ||
| 88 | P | 91.4 | Very high | 95.1 | Very high | 86 Ų | 86 | 76.4 Ų | 76.4 | 56% | 0.558 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27.3 | 175.1 | 26 | -34.1 | 0 | 0 | 0 | 112.6 | I69 | I69-P88 HydrophobicContact CD1-CG 4.29Å; I69-P88 HydrophobicContact CG2-CG 4.18Å |
| 89 | D | 89.8 | Confident | 95.1 | Very high | 130 Ų | 130 | 69.4 Ų | 69.4 | 70% | 0.695 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.2 | -178.1 | -54.1 | -48.2 | 0 | 0 | 0 | 112.8 | S87 D91 | S87-D89 PolarHBondContact O-N 2.8Å; S87-D89 PolarHBondContact OG-N 2.86Å; D89-D91 VanDerWaalsContact C-N 3.3Å; D89-D91 PolarHBondContact O-N 3.31Å |
| 90 | G | 86.3 | Confident | 95.1 | Very high | 65 Ų | 65 | 67.8 Ų | 67.8 | 67% | 0.67 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 79.6 | 4.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S87 | S87-G90 PolarHBondContact O-N 3.38Š|
| 91 | D | 85.4 | Confident | 95.1 | Very high | 141 Ų | 141 | 65.4 Ų | 65.4 | 75% | 0.754 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -73.4 | -94.6 | 179.4 | -69.7 | -30.3 | 0 | 0 | 0 | 112.3 | D89 | D89-D91 VanDerWaalsContact C-N 3.3Å; D89-D91 PolarHBondContact O-N 3.31Å |
| 92 | R | 90.9 | Very high | 95.1 | Very high | 209 Ų | 209 | 63 Ų | 63 | 79% | 0.789 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -115.9 | 139.1 | -178.2 | -67.3 | -171.9 | -70.7 | 167.9 | -1.9 | 109.5 | S87 | S87-R92 WeakPolarHBondContact CB-O 3.45Š|
| 93 | D | 95.4 | Very high | 95.1 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 145.2 | 175.3 | -68.3 | -42.9 | 0 | 0 | 0 | 111.7 | R74 F84 I85 P86 F95 | R74-D93 IonicContact CZ-OD2 2.62Å; R74-D93 IonicContact NH1-OD2 2.93Å; R74-D93 IonicContact NH2-OD1 2.93Å; R74-D93 PolarHBondContact NH2-OD1 2.74Å; R74-D93 IonicContact NH2-OD2 2.99Å; R74-D93 PolarHBondContact NH2-OD2 3.39Å; F84-D93 HydrophobicContact CB-CB 4.08Å; F84-D93 HydrophobicContact CD1-CB 4.08Å; F84-D93 HydrophobicContact CG-CB 4.49Å; I85-D93 CarbonylContact O-C 3.54Å; I85-D93 WeakPolarHBondContact O-CA 3.12Å; I85-D93 WeakPolarHBondContact O-CB 3.33Å; P86-D93 WeakPolarHBondContact CA-OD1 3.45Å; D93-F95 PolarHBondContact O-N 3.19Å |
| 94 | I | 96.8 | Very high | 95.1 | Very high | 26 Ų | 26 | 67.8 Ų | 67.8 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119.2 | 174.2 | -61.5 | 160.9 | 0 | 0 | 0 | 107.8 | I69 F84 I85 V113 L115 | I69-I94 HydrophobicContact CB-CD1 4.24Å; I69-I94 HydrophobicContact CD1-CD1 3.55Å; I69-I94 HydrophobicContact CG1-CD1 4.49Å; I69-I94 HydrophobicContact CG2-CD1 3.79Å; F84-I94 WeakPolarHBondContact CA-O 3.34Å; I85-I94 HydrophobicContact CD1-CB 4.46Å; I85-I94 HydrophobicContact CD1-CD1 3.93Å; I85-I94 HydrophobicContact CG1-CB 3.75Å; I85-I94 HydrophobicContact CG1-CD1 3.99Å; I85-I94 HydrophobicContact CG1-CG1 4.38Å; I85-I94 HydrophobicContact CG1-CG2 4.36Å; I85-I94 PolarHBondContact N-O 3.42Å; I85-I94 VanDerWaalsContact N-O 3.12Å; I85-I94 PolarHBondContact O-N 2.97Å; I94-V113 HydrophobicContact CG2-CG2 4.46Å; I94-L115 HydrophobicContact CD1-CD2 4.17Å; I94-L115 HydrophobicContact CG1-CD2 4.21Å; I94-L115 HydrophobicContact CG2-CD2 3.81Å |
| 95 | F | 97.6 | Very high | 95.1 | Very high | 74 Ų | 74 | 65.7 Ų | 65.7 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 134 | 179.8 | -178.5 | -123.2 | 0 | 0 | 0 | 111.8 | E82 F84 D93 D97 K122 | E82-F95 HydrophobicContact CB-CE2 3.8Å; E82-F95 HydrophobicContact CB-CZ 4.43Å; E82-F95 HydrophobicContact CG-CE2 3.82Å; E82-F95 HydrophobicContact CG-CZ 4Å; F84-F95 HydrophobicContact CD1-CB 4.48Å; F84-F95 AromaticContact CD1-CD2 3.97Å; F84-F95 HydrophobicContact CD1-CD2 3.97Å; F84-F95 HydrophobicContact CE1-CB 4.34Å; F84-F95 AromaticContact CE1-CD2 3.39Å; F84-F95 HydrophobicContact CE1-CD2 3.39Å; F84-F95 HydrophobicContact CE1-CE2 4.1Å; F84-F95 HydrophobicContact CE1-CG 4.26Å; F84-F95 AromaticContact CZ-CD2 3.72Å; F84-F95 HydrophobicContact CZ-CD2 3.72Å; F84-F95 AromaticContact CZ-CE2 3.95Å; F84-F95 HydrophobicContact CZ-CE2 3.95Å; D93-F95 PolarHBondContact O-N 3.19Å; F95-D97 HydrophobicContact CD1-CB 4.24Å; F95-D97 HydrophobicContact CE1-CB 3.53Å; F95-D97 HydrophobicContact CZ-CB 3.99Å; F95-K122 HydrophobicContact CE1-CD 3.98Å |
| 96 | I | 97.9 | Very high | 95.1 | Very high | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.092 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 111.4 | 174.9 | -58.7 | 169.4 | 0 | 0 | 0 | 107.5 | L73 A83 I85 A101 R102 V113 | L73-I96 HydrophobicContact CD1-CD1 3.63Å; A83-I96 HydrophobicContact CB-CB 4.22Å; A83-I96 PolarHBondContact N-O 2.67Å; A83-I96 VanDerWaalsContact N-O 3.12Å; A83-I96 PolarHBondContact O-N 2.93Å; I85-I96 HydrophobicContact CG2-CD1 4.16Å; I96-A101 HydrophobicContact CG2-CB 4.03Å; I96-R102 HydrophobicContact CG2-CB 4.01Å; I96-V113 HydrophobicContact CD1-CG1 3.95Å |
| 97 | D | 97.4 | Very high | 95.2 | Very high | 78 Ų | 78 | 73.2 Ų | 73.2 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 109 | -175.1 | -169.6 | 48.2 | 0 | 0 | 0 | 112.3 | F95 A101 K122 | F95-D97 HydrophobicContact CD1-CB 4.24Å; F95-D97 HydrophobicContact CE1-CB 3.53Å; F95-D97 HydrophobicContact CZ-CB 3.99Å; D97-A101 WeakPolarHBondContact O-CB 3.27Å; D97-K122 IonicContact OD1-NZ 3.68Å; D97-K122 PolarHBondContact OD1-NZ 2.89Å; D97-K122 WeakPolarHBondContact OD2-CE 3.41Å; D97-K122 IonicContact OD2-NZ 3.93Å; D97-K122 PolarHBondContact OD2-NZ 2.94Å |
| 98 | G | 97 | Very high | 95.4 | Very high | 15 Ų | 15 | 74.3 Ų | 74.3 | 16% | 0.155 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | 88.5 | 164.7 | 171 | 0 | 0 | 0 | 0 | 0 | 114.6 | H81 V100 R102 | H81-G98 VanDerWaalsContact O-CA 3.27Å; H81-G98 WeakPolarHBondContact O-CA 3.24Å; H81-G98 PolarHBondContact O-N 3.46Å; G98-V100 VanDerWaalsContact C-N 3.28Å; G98-V100 PolarHBondContact O-N 3.31Å; G98-R102 WeakPolarHBondContact O-CB 3.37Å; G98-R102 PolarHBondContact O-N 3.19Å |
| 99 | V | 97.1 | Very high | 95.8 | Very high | 48 Ų | 48 | 73.4 Ų | 73.4 | 29% | 0.291 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -70.1 | -26.3 | -175 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | F50 F80 N103 | F50-V99 WeakPolarHBondContact CE1-O 2.98Å; F80-V99 HydrophobicContact CD2-CG1 4.01Å; F80-V99 HydrophobicContact CE2-CG1 4.01Å; V99-N103 PolarHBondContact O-N 3.35Å |
| 100 | V | 96.9 | Very high | 96.2 | Very high | 77 Ų | 77 | 72.8 Ų | 72.8 | 47% | 0.467 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.1 | -48.9 | 179.8 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | I49 G98 R102 N103 | I49-V100 HydrophobicContact CG2-CG2 4.04Å; G98-V100 VanDerWaalsContact C-N 3.28Å; G98-V100 PolarHBondContact O-N 3.31Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 2.73Å; V100-N103 WeakPolarHBondContact O-CA 3.4Å; V100-N103 PolarHBondContact O-N 3.29Å |
| 101 | A | 97.1 | Very high | 96.7 | Very high | 67 Ų | 67 | 70.8 Ų | 70.8 | 55% | 0.554 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.9 | -37.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | I96 D97 N103 | I96-A101 HydrophobicContact CG2-CB 4.03Å; D97-A101 WeakPolarHBondContact O-CB 3.27Å; A101-N103 PolarHBondContact O-N 2.92Å |
| 102 | R | 97.6 | Very high | 97.3 | Very high | 39 Ų | 39 | 66.6 Ų | 66.6 | 15% | 0.147 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.6 | 172.5 | -166.2 | 174.9 | 79.6 | -152.8 | -1.5 | 113.8 | L73 I75 F80 I96 G98 V100 A105 | L73-R102 HydrophobicContact CD2-CG 3.67Å; I75-R102 VanDerWaalsContact CD1-CZ 3.46Å; F80-R102 PolarHBondContact O-NH1 3.49Å; I96-R102 HydrophobicContact CG2-CB 4.01Å; G98-R102 WeakPolarHBondContact O-CB 3.37Å; G98-R102 PolarHBondContact O-N 3.19Å; V100-R102 VanDerWaalsContact C-N 3.3Å; V100-R102 PolarHBondContact O-N 2.73Å; R102-A105 HydrophobicContact CG-CB 4.15Å; R102-A105 PolarHBondContact NE-O 3.2Å; R102-A105 VanDerWaalsContact O-CB 3.32Å; R102-A105 WeakPolarHBondContact O-CB 3.48Å; R102-A105 PolarHBondContact O-N 2.97Å |
| 103 | N | 97.9 | Very high | 97.7 | Very high | 29 Ų | 29 | 57.8 Ų | 57.8 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | 72.7 | 176.5 | -167.1 | -3.3 | 0 | 0 | 0 | 114.3 | F50 E51 V99 V100 A101 A105 | F50-N103 WeakPolarHBondContact CB-OD1 3.42Å; E51-N103 PolarHBondContact O-ND2 3.42Å; E51-N103 PolarHBondContact O-OD1 3.47Å; V99-N103 PolarHBondContact O-N 3.35Å; V100-N103 WeakPolarHBondContact O-CA 3.4Å; V100-N103 PolarHBondContact O-N 3.29Å; A101-N103 PolarHBondContact O-N 2.92Å; N103-A105 PolarHBondContact O-N 2.82Å |
| 104 | R | 97.8 | Very high | 97.7 | Very high | 116 Ų | 116 | 62.1 Ų | 62.1 | 44% | 0.438 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | -5.8 | 175.4 | -59 | 167.9 | -78.7 | 171 | -4.4 | 116 | F50 E51 Y53 | F50-R104 HydrophobicContact CB-CG 4.41Å; F50-R104 HydrophobicContact CD1-CG 4.07Å; F50-R104 HydrophobicContact CD2-CG 3.67Å; F50-R104 HydrophobicContact CE1-CG 4.24Å; F50-R104 HydrophobicContact CE2-CG 3.87Å; F50-R104 HydrophobicContact CG-CG 3.78Å; F50-R104 HydrophobicContact CZ-CG 4.15Å; E51-R104 PolarHBondContact O-NH2 3.26Å; Y53-R104 VanDerWaalsContact CE2-NH2 3.34Å; Y53-R104 VanDerWaalsContact OH-CZ 3.24Å; Y53-R104 PolarHBondContact OH-NE 3.26Å |
| 105 | A | 98.3 | Very high | 97.7 | Very high | 12 Ų | 12 | 64.5 Ų | 64.5 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | trans | -66 | 147.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L73 R102 N103 V111 | L73-A105 HydrophobicContact CD2-CB 3.45Å; L73-A105 VanDerWaalsContact CD2-CB 3.45Å; R102-A105 HydrophobicContact CG-CB 4.15Å; R102-A105 PolarHBondContact NE-O 3.2Å; R102-A105 VanDerWaalsContact O-CB 3.32Å; R102-A105 WeakPolarHBondContact O-CB 3.48Å; R102-A105 PolarHBondContact O-N 2.97Å; N103-A105 PolarHBondContact O-N 2.82Å; A105-V111 HydrophobicContact CB-CG1 3.76Å | ||
| 106 | L | 98.3 | Very high | 97.6 | Very high | 111 Ų | 111 | 65.9 Ų | 65.9 | 58% | 0.581 | 36% | 0.364 | S | S | * | . | trans | -111.3 | 165.6 | -178 | -60.9 | -179.8 | 0 | 0 | 0 | 111.2 | G108 D109 | L106-G108 PolarHBondContact O-N 3Å; L106-D109 PolarHBondContact N-OD2 2.89Å; L106-D109 WeakPolarHBondContact O-CB 3.32Å; L106-D109 PolarHBondContact O-N 2.8Å | ||
| 107 | N | 98.4 | Very high | 97.5 | Very high | 104 Ų | 104 | 68.2 Ų | 68.2 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 129.4 | 178.4 | -177.5 | 81 | 0 | 0 | 0 | 110.5 | R74 I75 | R74-N107 WeakPolarHBondContact CA-OD1 3.45Å; I75-N107 HydrophobicContact CB-CB 4.27Å; I75-N107 HydrophobicContact CD1-CB 4.03Å; I75-N107 HydrophobicContact CG1-CB 4.2Å; I75-N107 PolarHBondContact N-OD1 3.32Å |
| 108 | G | 98.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 71.7 Ų | 71.7 | 47% | 0.474 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -6.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L73 L106 | L73-G108 PolarHBondContact O-N 3.24Å; L106-G108 PolarHBondContact O-N 3Å |
| 109 | D | 98.6 | Very high | 97.2 | Very high | 68 Ų | 68 | 77.4 Ų | 77.4 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | trans | -67.4 | 140.7 | 176.4 | -73.1 | -11.8 | 0 | 0 | 0 | 111.1 | V72 L73 L106 V111 | V72-D109 WeakPolarHBondContact CA-O 3.48Å; L73-D109 PolarHBondContact N-O 2.81Å; L106-D109 PolarHBondContact N-OD2 2.89Å; L106-D109 WeakPolarHBondContact O-CB 3.32Å; L106-D109 PolarHBondContact O-N 2.8Å; D109-V111 HydrophobicContact CB-CG1 3.94Å; D109-V111 PolarHBondContact O-N 3.39Å | ||
| 110 | L | 98.2 | Very high | 97 | Very high | 117 Ų | 117 | 80.2 Ų | 80.2 | 61% | 0.613 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 112.9 | 166.2 | -173.5 | 68 | 0 | 0 | 0 | 108.4 | Q70 V72 | Q70-L110 HydrophobicContact CG-CD1 3.9Å; Q70-L110 HydrophobicContact CG-CG 4.17Å; V72-L110 HydrophobicContact CG2-CD1 4.23Å |
| 111 | V | 98.4 | Very high | 96.9 | Very high | 23 Ų | 23 | 82.9 Ų | 82.9 | 14% | 0.139 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 163.6 | -174.4 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | Q70 G71 L73 I85 A105 D109 V113 | Q70-V111 VanDerWaalsContact CA-O 3.31Å; Q70-V111 WeakPolarHBondContact CA-O 3.27Å; G71-V111 PolarHBondContact N-O 2.91Å; G71-V111 WeakPolarHBondContact O-CG2 2.97Å; G71-V111 PolarHBondContact O-N 2.94Å; L73-V111 HydrophobicContact CB-CG1 4.21Å; L73-V111 HydrophobicContact CB-CG2 4.09Å; L73-V111 HydrophobicContact CD1-CG2 4.5Å; L73-V111 HydrophobicContact CD2-CG1 4.29Å; I85-V111 HydrophobicContact CG2-CG2 3.72Å; A105-V111 HydrophobicContact CB-CG1 3.76Å; D109-V111 HydrophobicContact CB-CG1 3.94Å; D109-V111 PolarHBondContact O-N 3.39Å; V111-V113 HydrophobicContact CG2-CG1 4.34Å |
| 112 | V | 98.1 | Very high | 96.4 | Very high | 52 Ų | 52 | 86.2 Ų | 86.2 | 32% | 0.315 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.3 | 171.8 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | V59 L63 L68 I69 Q70 | V59-V112 HydrophobicContact CG1-CG1 4.42Å; V59-V112 HydrophobicContact CG1-CG2 3.98Å; L63-V112 HydrophobicContact CD1-CG2 4.33Å; L63-V112 HydrophobicContact CD2-CG1 4.03Å; L63-V112 HydrophobicContact CD2-CG2 4.43Å; L63-V112 HydrophobicContact CG-CG1 4.45Å; L68-V112 HydrophobicContact CB-CG1 3.56Å; L68-V112 HydrophobicContact CD1-CG1 3.78Å; L68-V112 HydrophobicContact CD2-CG1 4.44Å; L68-V112 HydrophobicContact CG-CG1 4.13Å; I69-V112 CarbonylContact O-C 3.51Å; I69-V112 WeakPolarHBondContact O-CA 3.49Å; Q70-V112 HydrophobicContact CB-CG2 4.29Å; Q70-V112 HydrophobicContact CG-CG2 4.24Å |
| 113 | V | 97.6 | Very high | 95.5 | Very high | 25 Ų | 25 | 93.4 Ų | 93.4 | 15% | 0.152 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 154.7 | -179.4 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | L68 I69 I85 I94 I96 V111 | L68-V113 WeakPolarHBondContact CA-O 3.42Å; I69-V113 HydrophobicContact CB-CG2 4.06Å; I69-V113 PolarHBondContact N-O 2.87Å; I69-V113 PolarHBondContact O-N 3.45Å; I85-V113 HydrophobicContact CD1-CB 4.29Å; I85-V113 HydrophobicContact CD1-CG1 3.98Å; I85-V113 HydrophobicContact CD1-CG2 3.32Å; I85-V113 HydrophobicContact CG1-CG2 4.35Å; I94-V113 HydrophobicContact CG2-CG2 4.46Å; I96-V113 HydrophobicContact CD1-CG1 3.95Å; V111-V113 HydrophobicContact CG2-CG1 4.34Å |
| 114 | K | 96.6 | Very high | 95.4 | Very high | 160 Ų | 160 | 96.6 Ų | 96.6 | 70% | 0.696 | 51% | 0.508 | S | S | * | . | trans | -110.2 | 131.1 | 168.9 | -174.4 | 179.1 | 177.4 | -178.5 | 0 | 108.1 | L68 | L68-K114 HydrophobicContact CD2-CB 3.71Å; L68-K114 HydrophobicContact CD2-CG 4.18Å | ||
| 115 | L | 95.4 | Very high | 95.3 | Very high | 76 Ų | 76 | 95.6 Ų | 95.6 | 40% | 0.398 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 138.8 | 174.3 | -66.5 | 179.6 | 0 | 0 | 0 | 110.3 | I69 I94 W121 | I69-L115 HydrophobicContact CD1-CD1 3.83Å; I69-L115 HydrophobicContact CD1-CD2 4.24Å; I69-L115 HydrophobicContact CD1-CG 3.91Å; I94-L115 HydrophobicContact CD1-CD2 4.17Å; I94-L115 HydrophobicContact CG1-CD2 4.21Å; I94-L115 HydrophobicContact CG2-CD2 3.81Å; L115-W121 HydrophobicContact CD1-CZ2 4.35Å |
| 116 | L | 95.6 | Very high | 95.1 | Very high | 102 Ų | 102 | 100.2 Ų | 100.2 | 53% | 0.534 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 160 | 166.9 | -63.5 | 177.8 | 0 | 0 | 0 | 109.5 | Q120 W121 | L116-Q120 HydrophobicContact CB-CB 4.21Å; L116-Q120 HydrophobicContact CD1-CB 4.4Å; L116-W121 PolarHBondContact O-NE1 2.88Å |
| 117 | P | 96.1 | Very high | 94.9 | Very high | 67 Ų | 67 | 99.6 Ų | 99.6 | 44% | 0.435 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -52 | 144.5 | 164.8 | -27.6 | 38.2 | 0 | 0 | 0 | 112 | D119 Q120 W121 | P117-D119 WeakPolarHBondContact CB-OD1 3.4Å; P117-D119 PolarHBondContact O-N 3.42Å; P117-Q120 WeakPolarHBondContact O-CB 3.49Å; P117-Q120 PolarHBondContact O-N 2.85Å; P117-W121 PolarHBondContact O-NE1 2.86Å |
| 118 | E | 93.3 | Very high | 94.7 | Very high | 151 Ų | 151 | 99.3 Ų | 99.3 | 71% | 0.706 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -59.1 | -31.6 | -174.2 | -67.6 | -177 | -175.2 | 0 | 0 | 113.3 | Q120 W121 | E118-Q120 PolarHBondContact O-N 3.35Å; E118-Q120 VanDerWaalsContact O-N 3.16Å; E118-W121 HydrophobicContact CB-CD2 4.48Å; E118-W121 HydrophobicContact CG-CD2 4.41Å; E118-W121 HydrophobicContact CG-CE3 4.48Å; E118-W121 HydrophobicContact CG-CH2 4.02Å; E118-W121 HydrophobicContact CG-CZ2 3.93Å; E118-W121 HydrophobicContact CG-CZ3 4.29Å; E118-W121 WeakPolarHBondContact O-CB 3.42Å; E118-W121 PolarHBondContact O-N 2.81Å |
| 119 | D | 95.2 | Very high | 94.5 | Very high | 136 Ų | 136 | 102.9 Ų | 102.9 | 73% | 0.727 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -63.9 | -17.1 | 176 | 59.6 | -64.8 | 0 | 0 | 0 | 113.5 | P117 | P117-D119 WeakPolarHBondContact CB-OD1 3.4Å; P117-D119 PolarHBondContact O-N 3.42Å |
| 120 | Q | 93.9 | Very high | 94.2 | Very high | 107 Ų | 107 | 105.4 Ų | 105.4 | 50% | 0.5 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -99.5 | -0.6 | 177.6 | -58.6 | 178.5 | 22 | 0 | 0 | 112.5 | L116 P117 E118 | L116-Q120 HydrophobicContact CB-CB 4.21Å; L116-Q120 HydrophobicContact CD1-CB 4.4Å; P117-Q120 WeakPolarHBondContact O-CB 3.49Å; P117-Q120 PolarHBondContact O-N 2.85Å; E118-Q120 PolarHBondContact O-N 3.35Å; E118-Q120 VanDerWaalsContact O-N 3.16Å |
| 121 | W | 94.1 | Very high | 93.9 | Very high | 132 Ų | 132 | 104.5 Ų | 104.5 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -73 | 142.2 | 178.5 | -66.1 | 9.5 | 0 | 0 | 0 | 110 | L115 L116 P117 E118 | L115-W121 HydrophobicContact CD1-CZ2 4.35Å; L116-W121 PolarHBondContact O-NE1 2.88Å; P117-W121 PolarHBondContact O-NE1 2.86Å; E118-W121 HydrophobicContact CB-CD2 4.48Å; E118-W121 HydrophobicContact CG-CD2 4.41Å; E118-W121 HydrophobicContact CG-CE3 4.48Å; E118-W121 HydrophobicContact CG-CH2 4.02Å; E118-W121 HydrophobicContact CG-CZ2 3.93Å; E118-W121 HydrophobicContact CG-CZ3 4.29Å; E118-W121 WeakPolarHBondContact O-CB 3.42Å; E118-W121 PolarHBondContact O-N 2.81Å |
| 122 | K | 87.3 | Confident | 93.5 | Very high | 137 Ų | 137 | 111.3 Ų | 111.3 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | trans | -77.1 | 128.2 | 171.7 | -65.1 | -161.8 | -175.3 | -179.6 | 0 | 109.2 | F95 D97 | F95-K122 HydrophobicContact CE1-CD 3.98Å; D97-K122 IonicContact OD1-NZ 3.68Å; D97-K122 PolarHBondContact OD1-NZ 2.89Å; D97-K122 WeakPolarHBondContact OD2-CE 3.41Å; D97-K122 IonicContact OD2-NZ 3.93Å; D97-K122 PolarHBondContact OD2-NZ 2.94Å | ||
| 123 | S | 78.6 | Confident | 93.1 | Very high | 190 Ų | 190 | 116.6 Ų | 116.6 | 100% | 1.329 | 60% | 0.597 | S | S | * | * | trans | -81.1 | 0 | 171.6 | -161.9 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 123 of 123 residues in 219.2 ms
(Link to these results)