| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.1 | Very low | 38.4 | Very low | 239 Ų | 239 | 157.7 Ų | 157.7 | 100% | 1.177 | 87% | 0.867 | S | S | * | * | 0 | 75.8 | 0 | -64.8 | -85.9 | -146.4 | 0 | 0 | 107 | |||||
| 2 | A | 37.2 | Very low | 38.1 | Very low | 101 Ų | 101 | 154.1 Ų | 154.1 | 84% | 0.835 | 86% | 0.861 | S | S | * | * | 73.7 | 98.4 | 107.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 3 | A | 43.6 | Very low | 37.9 | Very low | 95 Ų | 95 | 157.8 Ų | 157.8 | 79% | 0.785 | 86% | 0.863 | S | S | * | * | trans | -65.1 | 163.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 4 | P | 50.4 | Low | 37.9 | Very low | 126 Ų | 126 | 153.9 Ų | 153.9 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | trans | -125.6 | 111.2 | 144.2 | 26.2 | -9 | 0 | 0 | 0 | 112.4 | ||||
| 5 | C | 34.8 | Very low | 37.8 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | trans | 12.1 | 120.3 | 134.2 | -64.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 6 | R | 34.5 | Very low | 37.7 | Very low | 216 Ų | 216 | 156.7 Ų | 156.7 | 82% | 0.815 | 86% | 0.855 | S | S | * | * | 20.3 | 125.5 | 124 | -83.9 | -179.9 | 165.6 | -178.1 | -2.8 | 118 | |||||
| 7 | K | 35.2 | Very low | 37.6 | Very low | 214 Ų | 214 | 155.9 Ų | 155.9 | 93% | 0.93 | 85% | 0.849 | S | S | * | * | -140.1 | 112.9 | 126.2 | -73.6 | -166.4 | 179.6 | 175.1 | 0 | 110.9 | |||||
| 8 | M | 36.3 | Very low | 37.2 | Very low | 162 Ų | 162 | 153.2 Ų | 153.2 | 80% | 0.798 | 84% | 0.842 | S | S | * | * | trans | -72.4 | 139.5 | 158 | -78.7 | -166.1 | -96.2 | 0 | 0 | 109.1 | ||||
| 9 | A | 35.7 | Very low | 36.9 | Very low | 98 Ų | 98 | 157.4 Ų | 157.4 | 81% | 0.81 | 85% | 0.846 | S | S | * | * | trans | -143.1 | 96 | 155.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 10 | S | 37.1 | Very low | 36.7 | Very low | 118 Ų | 118 | 159.1 Ų | 159.1 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | -54.4 | 133.7 | 165.1 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 11 | R | 37.1 | Very low | 36.5 | Very low | 245 Ų | 245 | 156.7 Ų | 156.7 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | trans | -117.6 | 128.9 | 158.6 | -79.6 | -169.6 | 167 | -159.1 | -2.9 | 109.6 | ||||
| 12 | S | 34.7 | Very low | 36 | Very low | 114 Ų | 114 | 157 Ų | 157 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -67.9 | 137.8 | -165.1 | -164.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 13 | F | 35.4 | Very low | 35.9 | Very low | 203 Ų | 203 | 159 Ų | 159 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | trans | -63.2 | 138.3 | 152.7 | -84.2 | -101.1 | 0 | 0 | 0 | 109.8 | ||||
| 14 | S | 37.9 | Very low | 35.6 | Very low | 102 Ų | 102 | 159 Ų | 159 | 71% | 0.713 | 83% | 0.832 | S | S | * | * | trans | -155.3 | 98.2 | 154.9 | 51.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 15 | Q | 35.8 | Very low | 35 | Very low | 174 Ų | 174 | 160.4 Ų | 160.4 | 81% | 0.813 | 84% | 0.838 | S | S | * | * | 50.9 | 86.1 | 94.2 | -72.7 | -174.9 | -17 | 0 | 0 | 113 | |||||
| 16 | L | 36.5 | Very low | 35 | Very low | 179 Ų | 179 | 157.9 Ų | 157.9 | 94% | 0.937 | 83% | 0.832 | S | S | * | * | trans | -93.2 | 101.7 | 156.9 | -85 | 160.7 | 0 | 0 | 0 | 107.9 | ||||
| 17 | L | 36.5 | Very low | 35.2 | Very low | 144 Ų | 144 | 153.8 Ų | 153.8 | 75% | 0.754 | 84% | 0.837 | S | S | * | * | trans | -70.7 | 137.7 | 177 | -84.3 | 152.6 | 0 | 0 | 0 | 111.3 | Y19 | L17-Y19 PolarHBondContact O-N 3.28Š| ||
| 18 | C | 30.2 | Very low | 35.5 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 72% | 0.723 | 83% | 0.831 | S | S | * | * | trans | -55.9 | 124.3 | 169.2 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | F20 | C18-F20 HydrophobicContact CB-CD2 4.23Å; C18-F20 HydrophobicContact CB-CE2 4.44Å; C18-F20 PolarHBondContact O-N 3.49Å | ||
| 19 | Y | 30.8 | Very low | 35.5 | Very low | 233 Ų | 233 | 143.7 Ų | 143.7 | 91% | 0.914 | 83% | 0.827 | S | S | * | * | trans | -83.3 | 100.9 | 163.8 | -90.3 | -93.2 | 0 | 0 | 0 | 109.3 | L17 | L17-Y19 PolarHBondContact O-N 3.28Š| ||
| 20 | F | 33.5 | Very low | 35.6 | Very low | 191 Ų | 191 | 145.1 Ų | 145.1 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | trans | -91.8 | 105.3 | 161.6 | -90.4 | -84.9 | 0 | 0 | 0 | 108.9 | C18 | C18-F20 HydrophobicContact CB-CD2 4.23Å; C18-F20 HydrophobicContact CB-CE2 4.44Å; C18-F20 PolarHBondContact O-N 3.49Å | ||
| 21 | S | 32.4 | Very low | 35.8 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 83% | 0.829 | S | S | * | * | trans | -93.7 | 108.5 | 164.8 | 18.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 22 | R | 30.8 | Very low | 35.7 | Very low | 247 Ų | 247 | 149.5 Ų | 149.5 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | trans | -73.2 | 122.6 | 165.1 | -77.4 | -180 | 171 | -166.7 | -2.2 | 108.9 | ||||
| 23 | T | 35.1 | Very low | 35.7 | Very low | 141 Ų | 141 | 153.5 Ų | 153.5 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | trans | -120.9 | 122.7 | 155.1 | 49.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 24 | A | 37.7 | Very low | 35.9 | Very low | 97 Ų | 97 | 148.6 Ų | 148.6 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | trans | -106 | 116.4 | 174 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 25 | V | 37.6 | Very low | 36 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 93% | 0.933 | 83% | 0.828 | S | S | * | * | trans | -163.7 | 125.9 | 157.4 | 176.1 | 0 | 0 | 0 | 0 | 102.4 | ||||
| 26 | G | 33.6 | Very low | 36.1 | Very low | 69 Ų | 69 | 147.4 Ų | 147.4 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | cis | 140.4 | 140.7 | 45.5 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 27 | S | 39.4 | Very low | 36.5 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -54.4 | 149.5 | -167.8 | 56.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 28 | G | 41.6 | Very low | 36.8 | Very low | 78 Ų | 78 | 143.9 Ų | 143.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 124.6 | 80.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 29 | A | 36.3 | Very low | 37.3 | Very low | 87 Ų | 87 | 145.5 Ų | 145.5 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | trans | -173.2 | 94 | 143.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | R31 | A29-R31 PolarHBondContact O-N 2.85Š| ||
| 30 | C | 37.5 | Very low | 38 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -65.8 | 96.8 | 168 | -170.4 | 0 | 0 | 0 | 0 | 108.6 | R32 | C30-R32 PolarHBondContact O-N 2.99Š| ||
| 31 | R | 40.8 | Very low | 38.4 | Very low | 219 Ų | 219 | 141 Ų | 141 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -73.4 | 110.2 | 169.5 | -69.5 | -169.6 | -175.8 | -153.9 | 1.7 | 107.9 | A29 F33 | A29-R31 PolarHBondContact O-N 2.85Å; R31-F33 PolarHBondContact O-N 3.03Å | ||
| 32 | R | 35.3 | Very low | 39.2 | Very low | 236 Ų | 236 | 141.5 Ų | 141.5 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -58.1 | 117.2 | 169.9 | -74.8 | 177.1 | -179.2 | 166.3 | 0 | 108.6 | C30 S34 | C30-R32 PolarHBondContact O-N 2.99Å; R32-S34 PolarHBondContact O-N 2.96Å; R32-S34 VanDerWaalsContact O-N 3.15Å | ||
| 33 | F | 35 | Very low | 40 | Very low | 197 Ų | 197 | 135.8 Ų | 135.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -72.6 | 98.6 | 160 | -74.1 | -84.8 | 0 | 0 | 0 | 107.4 | R31 V35 | R31-F33 PolarHBondContact O-N 3.03Å; F33-V35 PolarHBondContact O-N 2.87Å | ||
| 34 | S | 38.8 | Very low | 40.2 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -74.2 | 104.6 | 165.4 | 46.3 | 0 | 0 | 0 | 0 | 108.2 | R32 T36 | R32-S34 PolarHBondContact O-N 2.96Å; R32-S34 VanDerWaalsContact O-N 3.15Å; S34-T36 PolarHBondContact O-N 3.22Å; S34-T36 VanDerWaalsContact O-N 3.13Å | ||
| 35 | V | 41.2 | Very low | 40.8 | Very low | 137 Ų | 137 | 140.7 Ų | 140.7 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -72.8 | 96.4 | 165.3 | -179.4 | 0 | 0 | 0 | 0 | 106.7 | F33 S37 | F33-V35 PolarHBondContact O-N 2.87Å; V35-S37 PolarHBondContact O-N 2.95Å | ||
| 36 | T | 38.6 | Very low | 40.9 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | trans | -74.5 | 116.3 | 166.3 | 48.4 | 0 | 0 | 0 | 0 | 107.9 | S34 I38 | S34-T36 PolarHBondContact O-N 3.22Å; S34-T36 VanDerWaalsContact O-N 3.13Å; T36-I38 PolarHBondContact O-N 3.41Å | ||
| 37 | S | 44.1 | Very low | 41.2 | Very low | 92 Ų | 92 | 141.3 Ų | 141.3 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | trans | -49.4 | 125.7 | 165 | 177.2 | 0 | 0 | 0 | 0 | 109.2 | V35 D39 | V35-S37 PolarHBondContact O-N 2.95Å; S37-D39 VanDerWaalsContact C-N 3.31Å; S37-D39 PolarHBondContact O-N 2.88Å | ||
| 38 | I | 43.6 | Very low | 41.5 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | trans | -74.8 | 94.4 | 165.9 | -62.6 | 172.6 | 0 | 0 | 0 | 105.2 | T36 R40 | T36-I38 PolarHBondContact O-N 3.41Å; I38-R40 PolarHBondContact O-N 3.33Å | ||
| 39 | D | 38.8 | Very low | 41.6 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -63.3 | 108.3 | 166.2 | -80.6 | -23.9 | 0 | 0 | 0 | 108 | S37 A41 | S37-D39 VanDerWaalsContact C-N 3.31Å; S37-D39 PolarHBondContact O-N 2.88Å; D39-A41 PolarHBondContact O-N 2.88Å | ||
| 40 | R | 46.6 | Very low | 42.1 | Very low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -68.8 | 84.9 | 171 | -163.4 | 178.5 | -165.3 | 166.4 | 3.1 | 107.5 | I38 T42 | I38-R40 PolarHBondContact O-N 3.33Å; R40-T42 PolarHBondContact O-N 2.72Å | ||
| 41 | A | 42 | Very low | 42.9 | Very low | 89 Ų | 89 | 146.3 Ų | 146.3 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -60.1 | 107.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | D39 | D39-A41 PolarHBondContact O-N 2.88Š| ||
| 42 | T | 48.8 | Very low | 43.7 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | -54.7 | 127.2 | 160.9 | 39.4 | 0 | 0 | 0 | 0 | 108.1 | R40 R44 | R40-T42 PolarHBondContact O-N 2.72Å; T42-R44 PolarHBondContact O-N 3.4Å | ||
| 43 | P | 47.3 | Very low | 45.3 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -64.8 | 112.4 | 174 | 27 | -29.5 | 0 | 0 | 0 | 106.9 | A45 | P43-A45 PolarHBondContact O-N 3.13Š| ||
| 44 | R | 40.3 | Very low | 47.4 | Very low | 239 Ų | 239 | 128.8 Ų | 128.8 | 90% | 0.902 | 76% | 0.762 | S | S | * | * | trans | -55.7 | 123 | 164 | -101.3 | 176.1 | 162.2 | 163.5 | -4.7 | 106.5 | T42 S46 | T42-R44 PolarHBondContact O-N 3.4Å; R44-S46 VanDerWaalsContact C-N 3.32Å; R44-S46 PolarHBondContact O-N 3.3Å | ||
| 45 | A | 49.4 | Very low | 49.7 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | -58.5 | 99.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | P43 T47 | P43-A45 PolarHBondContact O-N 3.13Å; A45-T47 PolarHBondContact O-N 3.07Å | ||
| 46 | S | 40.4 | Very low | 52 | Low | 104 Ų | 104 | 122.5 Ų | 122.5 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -68.1 | 118.6 | 168.8 | 57.3 | 0 | 0 | 0 | 0 | 107.2 | R44 A48 | R44-S46 VanDerWaalsContact C-N 3.32Å; R44-S46 PolarHBondContact O-N 3.3Å; S46-A48 PolarHBondContact O-N 2.79Å | ||
| 47 | T | 38.9 | Very low | 54.4 | Low | 133 Ų | 133 | 119.7 Ų | 119.7 | 82% | 0.816 | 70% | 0.698 | S | S | * | * | trans | -33.2 | 131.8 | 164.6 | 45.1 | 0 | 0 | 0 | 0 | 111.9 | A45 A49 | A45-T47 PolarHBondContact O-N 3.07Å; T47-A49 PolarHBondContact O-N 3.26Å | ||
| 48 | A | 46.4 | Very low | 56.7 | Low | 105 Ų | 105 | 117.8 Ų | 117.8 | 87% | 0.868 | 68% | 0.681 | S | S | * | * | trans | -21.2 | 96.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S46 D50 | S46-A48 PolarHBondContact O-N 2.79Å; A48-D50 PolarHBondContact O-N 2.83Å | ||
| 49 | A | 44 | Very low | 59.1 | Low | 78 Ų | 78 | 111.8 Ų | 111.8 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | trans | -64 | 127.7 | 158.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | T47 R51 | T47-A49 PolarHBondContact O-N 3.26Å; A49-R51 PolarHBondContact O-N 3.37Å | ||
| 50 | D | 46.2 | Very low | 61.7 | Low | 166 Ų | 166 | 105.1 Ų | 105.1 | 89% | 0.888 | 61% | 0.614 | S | S | * | * | trans | -41.6 | 109.3 | 165.3 | -103.4 | -30.1 | 0 | 0 | 0 | 108 | A48 A52 | A48-D50 PolarHBondContact O-N 2.83Å; D50-A52 VanDerWaalsContact C-N 3.3Å; D50-A52 PolarHBondContact O-N 3.27Å | ||
| 51 | R | 54.7 | Low | 63.9 | Low | 178 Ų | 178 | 93.7 Ų | 93.7 | 67% | 0.672 | 57% | 0.571 | S | S | * | * | trans | -68.9 | 96.8 | -178.2 | -73.9 | -178.2 | 178.7 | 174.9 | -3.7 | 106.1 | A49 T53 E193 | A49-R51 PolarHBondContact O-N 3.37Å; R51-T53 VanDerWaalsContact C-N 3.3Å; R51-T53 PolarHBondContact O-N 3.06Å; R51-E193 IonicContact CZ-OE1 3.33Å; R51-E193 IonicContact CZ-OE2 3.72Å; R51-E193 IonicContact NH1-OE1 3.46Å; R51-E193 PolarHBondContact NH1-OE1 3.15Å; R51-E193 IonicContact NH1-OE2 3.86Å; R51-E193 PolarHBondContact NH1-OE2 3.47Å; R51-E193 IonicContact NH2-OE2 2.67Å; R51-E193 PolarHBondContact NH2-OE2 3.18Å | ||
| 52 | A | 56.3 | Low | 66.3 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 81% | 0.81 | 54% | 0.536 | S | S | * | . | trans | -55.9 | 100.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | D50 S54 | D50-A52 VanDerWaalsContact C-N 3.3Å; D50-A52 PolarHBondContact O-N 3.27Å; A52-S54 PolarHBondContact O-N 2.89Å | ||
| 53 | T | 69.6 | Low | 68.4 | Low | 114 Ų | 114 | 83.8 Ų | 83.8 | 70% | 0.699 | 50% | 0.501 | S | S | * | . | trans | -65.8 | 99.6 | 178.7 | 21.7 | 0 | 0 | 0 | 0 | 106.9 | R51 | R51-T53 VanDerWaalsContact C-N 3.3Å; R51-T53 PolarHBondContact O-N 3.06Å | ||
| 54 | S | 79.3 | Confident | 70.5 | Confident | 71 Ų | 71 | 77.8 Ų | 77.8 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | trans | -64.3 | 135.7 | 176.2 | 85 | 0 | 0 | 0 | 0 | 107.9 | A52 W56 | A52-S54 PolarHBondContact O-N 2.89Å; S54-W56 PolarHBondContact O-N 3.24Å; S54-W56 PolarHBondContact OG-O 3.32Å | ||
| 55 | P | 87.2 | Confident | 72.9 | Confident | 45 Ų | 45 | 66.7 Ų | 66.7 | 29% | 0.292 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -73.2 | 12.9 | -177.3 | 31.4 | -37.6 | 0 | 0 | 0 | 112.9 | S239 V240 | P55-S239 CarbonylContact O-C 3.59Å; P55-V240 HydrophobicContact CB-CB 4.04Å; P55-V240 HydrophobicContact CB-CG2 3.66Å; P55-V240 HydrophobicContact CG-CG2 4.27Å; P55-V240 PolarHBondContact O-N 3.13Å |
| 56 | W | 88.6 | Confident | 74.8 | Confident | 61 Ų | 61 | 62.3 Ų | 62.3 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120 | -177.1 | -70.5 | 92.4 | 0 | 0 | 0 | 110 | S54 K229 V240 G241 K243 | S54-W56 PolarHBondContact O-N 3.24Å; S54-W56 PolarHBondContact OG-O 3.32Å; W56-K229 HydrophobicContact CH2-CG 4.04Å; W56-V240 HydrophobicContact CZ2-CG1 4.38Å; W56-G241 WeakPolarHBondContact CA-O 3.23Å; W56-K243 HydrophobicContact CB-CD 4.24Å; W56-K243 HydrophobicContact CB-CG 4.28Å; W56-K243 HydrophobicContact CD2-CD 4.41Å; W56-K243 HydrophobicContact CD2-CG 4.12Å; W56-K243 HydrophobicContact CE3-CD 4.48Å; W56-K243 HydrophobicContact CE3-CG 3.71Å; W56-K243 HydrophobicContact CG-CD 4.31Å; W56-K243 HydrophobicContact CG-CG 4.37Å; W56-K243 HydrophobicContact CZ3-CG 4.41Å |
| 57 | S | 89.8 | Confident | 77.2 | Confident | 55 Ų | 55 | 61.5 Ų | 61.5 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.7 | 169.7 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | G241 V242 K243 | S57-G241 PolarHBondContact N-O 3.36Å; S57-V242 WeakPolarHBondContact O-CA 3.49Å; S57-K243 PolarHBondContact O-N 3Å |
| 58 | L | 92.4 | Very high | 79.6 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 28% | 0.277 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.5 | 178.7 | -58.9 | 175.7 | 0 | 0 | 0 | 109.3 | W191 F245 | L58-W191 HydrophobicContact CB-CB 3.95Å; L58-W191 HydrophobicContact CD1-CD2 4.42Å; L58-W191 HydrophobicContact CD1-CE3 4.17Å; L58-W191 WeakPolarHBondContact O-CB 3.21Å; L58-W191 PolarHBondContact O-N 3.08Å; L58-F245 HydrophobicContact CD2-CE2 3.73Å; L58-F245 HydrophobicContact CD2-CZ 4.39Å |
| 59 | M | 92.9 | Very high | 81.6 | Confident | 31 Ų | 31 | 57.8 Ų | 57.8 | 15% | 0.153 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 143.3 | 173.1 | -59.9 | -75.4 | -67.5 | 0 | 0 | 108.9 | Q188 A189 A190 V242 K243 V244 F245 | M59-Q188 HydrophobicContact CE-CB 4.44Å; M59-Q188 HydrophobicContact CE-CG 4.24Å; M59-A189 WeakPolarHBondContact CA-O 3.49Å; M59-A189 VanDerWaalsContact CE-C 3.48Å; M59-A190 HydrophobicContact CE-CB 4.46Å; M59-A190 WeakPolarHBondContact SD-CA 3.49Å; M59-A190 HydrophobicContact SD-CB 3.57Å; M59-A190 VanDerWaalsContact SD-CB 3.57Å; M59-A190 PolarHBondContact SD-N 3.36Å; M59-V242 HydrophobicContact CB-CG1 4.16Å; M59-V242 HydrophobicContact CG-CG1 3.29Å; M59-K243 PolarHBondContact N-O 2.99Å; M59-V244 HydrophobicContact CB-CB 4.45Å; M59-V244 HydrophobicContact CB-CG1 4.41Å; M59-V244 HydrophobicContact CB-CG2 4.12Å; M59-V244 WeakPolarHBondContact O-CA 3.41Å; M59-F245 PolarHBondContact O-N 3.46Å |
| 60 | A | 94 | Very high | 83.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q188 A189 L197 T200 A201 F245 F247 | A60-Q188 CarbonylContact O-C 3.56Å; A60-Q188 WeakPolarHBondContact O-CA 3.29Å; A60-A189 PolarHBondContact N-O 2.79Å; A60-A189 PolarHBondContact O-N 3.24Å; A60-L197 VanDerWaalsContact CB-O 3.23Å; A60-L197 WeakPolarHBondContact CB-O 3.41Å; A60-T200 HydrophobicContact CB-CG2 3.75Å; A60-A201 HydrophobicContact CB-CB 4.09Å; A60-F245 CarbonylContact C-O 3.56Å; A60-F245 WeakPolarHBondContact CA-O 3.4Å; A60-F247 HydrophobicContact CB-CD2 4.32Å; A60-F247 HydrophobicContact CB-CE2 4.06Å |
| 61 | A | 93.6 | Very high | 86 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 147 | 179 | 0 | 0 | 0 | 0 | 0 | 110.3 | L186 P187 Q188 V244 F245 F246 F247 | A61-L186 HydrophobicContact CB-CB 4.43Å; A61-P187 CarbonylContact C-O 3.53Å; A61-P187 VanDerWaalsContact CA-O 3.24Å; A61-P187 WeakPolarHBondContact CA-O 3.5Å; A61-Q188 HydrophobicContact CB-CB 3.74Å; A61-V244 HydrophobicContact CB-CG1 3.52Å; A61-F245 PolarHBondContact N-O 3.28Å; A61-F246 HydrophobicContact CB-CD1 3.57Å; A61-F246 HydrophobicContact CB-CE1 3.85Å; A61-F246 CarbonylContact O-C 3.57Å; A61-F246 WeakPolarHBondContact O-CA 3.45Å; A61-F247 PolarHBondContact O-N 2.98Å |
| 62 | V | 92.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 124.7 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 110 | L64 P187 A201 L205 F217 F247 A249 | V62-L64 HydrophobicContact CG1-CB 4.32Å; V62-P187 PolarHBondContact N-O 3.36Å; V62-A201 VanDerWaalsContact CG2-C 3.42Å; V62-A201 HydrophobicContact CG2-CB 3.36Å; V62-A201 WeakPolarHBondContact CG2-O 3.25Å; V62-L205 HydrophobicContact CG2-CB 4.47Å; V62-F217 HydrophobicContact CG1-CE1 4.03Å; V62-F217 HydrophobicContact CG1-CZ 4.06Å; V62-F217 HydrophobicContact CG2-CE1 3.86Å; V62-F217 HydrophobicContact CG2-CZ 3.89Å; V62-F247 WeakPolarHBondContact CA-O 3.39Å; V62-A249 HydrophobicContact CG1-CB 3.82Å |
| 63 | C | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 92.7 | 162.2 | -175.4 | 0 | 0 | 0 | 0 | 108 | L186 F247 A249 F287 | C63-L186 HydrophobicContact CB-CD1 4.19Å; C63-L186 HydrophobicContact CB-CD2 4.46Å; C63-F247 PolarHBondContact N-O 3.5Å; C63-A249 PolarHBondContact O-N 3.37Å; C63-F287 HydrophobicContact CB-CE2 3.74Å; C63-F287 HydrophobicContact CB-CZ 4.49Å |
| 64 | L | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.4 | 173.4 | -175.1 | 67.1 | 0 | 0 | 0 | 108.7 | V62 V171 L172 L205 V213 A215 A249 L251 W266 | V62-L64 HydrophobicContact CG1-CB 4.32Å; L64-V171 WeakPolarHBondContact O-CA 3.45Å; L64-L172 HydrophobicContact CB-CB 4.04Å; L64-L172 HydrophobicContact CB-CD2 4.37Å; L64-L172 HydrophobicContact CD2-CD2 3.94Å; L64-L172 PolarHBondContact O-N 3.41Å; L64-L205 HydrophobicContact CD2-CD1 3.93Å; L64-V213 HydrophobicContact CD2-CG1 3.96Å; L64-A215 HydrophobicContact CD1-CB 3.58Å; L64-A249 WeakPolarHBondContact CA-O 3.3Å; L64-A249 HydrophobicContact CD1-CB 3.86Å; L64-L251 HydrophobicContact CD1-CB 4.37Å; L64-L251 HydrophobicContact CD2-CD1 4.33Å; L64-W266 HydrophobicContact CD2-CH2 3.7Å; L64-W266 HydrophobicContact CD2-CZ2 4.38Å; L64-W266 HydrophobicContact CG-CH2 4.12Å |
| 65 | Q | 91 | Very high | 91 | Very high | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.028 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.8 | 179.3 | -59.5 | -168.1 | -28.2 | 0 | 0 | 110.1 | L170 V171 A249 I250 L251 | Q65-L170 CarbonylContact C-O 3.5Å; Q65-L170 VanDerWaalsContact CA-O 3.3Å; Q65-L170 WeakPolarHBondContact CA-O 3.41Å; Q65-V171 HydrophobicContact CG-CG2 4.24Å; Q65-A249 PolarHBondContact N-O 2.99Å; Q65-I250 CarbonylContact O-C 3.51Å; Q65-I250 WeakPolarHBondContact O-CA 3.49Å; Q65-L251 PolarHBondContact O-N 3.38Å |
| 66 | R | 89.6 | Confident | 91.5 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 4% | 0.038 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.8 | 164.9 | 172 | -85.8 | -156.5 | 166.6 | 29.2 | 107.6 | V162 R164 C165 L166 D168 S169 L170 L251 W266 | R66-V162 HydrophobicContact CG-CG1 4.11Å; R66-V162 PolarHBondContact NE-O 3.03Å; R66-V162 PolarHBondContact NH2-O 3.26Å; R66-R164 PolarHBondContact NH2-O 3.46Å; R66-C165 PolarHBondContact NH1-O 3.13Å; R66-L166 VanDerWaalsContact NH2-CD2 3.34Å; R66-D168 PolarHBondContact NH1-O 2.92Å; R66-S169 VanDerWaalsContact O-CA 3.27Å; R66-S169 WeakPolarHBondContact O-CA 3.46Å; R66-L170 HydrophobicContact CB-CB 4.41Å; R66-L170 PolarHBondContact N-O 3.03Å; R66-L170 PolarHBondContact O-N 2.88Å; R66-L251 HydrophobicContact CB-CB 4.24Å; R66-L251 HydrophobicContact CB-CD2 4.01Å; R66-L251 HydrophobicContact CG-CD2 4.06Å; R66-W266 HydrophobicContact CB-CE3 4.32Å; R66-W266 HydrophobicContact CB-CH2 4.48Å; R66-W266 HydrophobicContact CB-CZ3 3.82Å |
| 67 | L | 89.8 | Confident | 91.9 | Very high | 87 Ų | 87 | 50.1 Ų | 50.1 | 46% | 0.455 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 156.8 | -177.7 | -64 | -179.5 | 0 | 0 | 0 | 111.6 | V69 I250 | L67-V69 PolarHBondContact O-N 3.42Å; L67-I250 HydrophobicContact CD1-CD1 4.19Å; L67-I250 HydrophobicContact CD1-CG2 3.95Å; L67-I250 HydrophobicContact CD2-CD1 4.47Å; L67-I250 HydrophobicContact CG-CG2 3.88Å |
| 68 | P | 90.3 | Very high | 92.2 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 129.5 | 170.1 | -26.7 | 36.6 | 0 | 0 | 0 | 111.4 | L166 A167 | P68-L166 CarbonylContact C-O 3.58Å; P68-L166 WeakPolarHBondContact CA-O 3.4Å; P68-A167 WeakPolarHBondContact CB-O 3.02Å |
| 69 | V | 88.4 | Confident | 92.4 | Very high | 90 Ų | 90 | 54.7 Ų | 54.7 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -93 | -30.7 | 177.2 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | L67 L166 | L67-V69 PolarHBondContact O-N 3.42Å; V69-L166 HydrophobicContact CB-CB 4.41Å; V69-L166 HydrophobicContact CB-CD2 3.88Å; V69-L166 HydrophobicContact CG1-CD2 4.23Å; V69-L166 HydrophobicContact CG2-CD2 4Å; V69-L166 PolarHBondContact N-O 3.27Å |
| 70 | I | 89.8 | Confident | 92.7 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -113.6 | 148.1 | -178.3 | -62.5 | -179.6 | 0 | 0 | 0 | 109 | R150 L166 | I70-R150 HydrophobicContact CD1-CB 4.05Å; I70-R150 HydrophobicContact CD1-CG 4.16Å; I70-R150 HydrophobicContact CG2-CG 4.4Å; I70-L166 HydrophobicContact CB-CB 4.2Å; I70-L166 HydrophobicContact CD1-CB 3.55Å; I70-L166 HydrophobicContact CD1-CD1 3.57Å; I70-L166 HydrophobicContact CD1-CG 4.17Å; I70-L166 HydrophobicContact CG1-CB 3.74Å; I70-L166 HydrophobicContact CG1-CD1 4.37Å; I70-L166 PolarHBondContact N-O 3.38Å; I70-L166 VanDerWaalsContact N-O 3.15Å |
| 71 | T | 91.2 | Very high | 92.9 | Very high | 109 Ų | 109 | 67.2 Ų | 67.2 | 67% | 0.669 | 37% | 0.365 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 147.9 | 172.8 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | R150 | T71-R150 PolarHBondContact O-NH2 2.85Š|
| 72 | A | 88.6 | Confident | 93.1 | Very high | 80 Ų | 80 | 72.6 Ų | 72.6 | 66% | 0.661 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 156 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 73 | D | 89.9 | Confident | 93.3 | Very high | 117 Ų | 117 | 77.8 Ų | 77.8 | 63% | 0.626 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 137.4 | 175 | -67.2 | -30.4 | 0 | 0 | 0 | 110.8 | S75 R150 | D73-S75 PolarHBondContact O-N 3.28Å; D73-R150 IonicContact OD1-CZ 2.67Å; D73-R150 IonicContact OD1-NH1 3.33Å; D73-R150 PolarHBondContact OD1-NH1 2.89Å; D73-R150 IonicContact OD1-NH2 3.98Å; D73-R150 PolarHBondContact OD1-NH2 2.7Å |
| 74 | C | 91.9 | Very high | 93.6 | Very high | 59 Ų | 59 | 81.7 Ų | 81.7 | 40% | 0.399 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 131.3 | -178.2 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | E78 Q79 | C74-E78 VanDerWaalsContact CA-OE2 3.3Å; C74-E78 WeakPolarHBondContact CA-OE2 3.41Å; C74-E78 HydrophobicContact CB-CB 4.15Å; C74-Q79 HydrophobicContact CB-CG 3.76Å; C74-Q79 PolarHBondContact O-NE2 2.98Å |
| 75 | S | 95.5 | Very high | 93.9 | Very high | 36 Ų | 36 | 85.3 Ų | 85.3 | 25% | 0.252 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 157.2 | 171.9 | 73.5 | 0 | 0 | 0 | 0 | 110.9 | D73 I77 E78 Q79 | D73-S75 PolarHBondContact O-N 3.28Å; S75-I77 PolarHBondContact O-N 3.09Å; S75-I77 VanDerWaalsContact O-N 3.15Å; S75-I77 VanDerWaalsContact OG-CG2 3.24Å; S75-I77 WeakPolarHBondContact OG-CG2 3.24Å; S75-E78 WeakPolarHBondContact CB-OE1 3.36Å; S75-E78 PolarHBondContact N-OE2 3.24Å; S75-E78 WeakPolarHBondContact O-CB 3.39Å; S75-E78 PolarHBondContact O-N 3.12Å; S75-E78 VanDerWaalsContact OG-CG 3.22Å; S75-E78 WeakPolarHBondContact OG-CG 3.23Å; S75-E78 PolarHBondContact OG-N 2.76Å; S75-E78 PolarHBondContact OG-OE1 2.71Å; S75-Q79 WeakPolarHBondContact O-CG 3.45Å; S75-Q79 PolarHBondContact O-N 2.98Å |
| 76 | P | 97 | Very high | 94.2 | Very high | 92 Ų | 92 | 89.8 Ų | 89.8 | 60% | 0.597 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.9 | -29.3 | -177.3 | 23.5 | -34.6 | 0 | 0 | 0 | 112.9 | R80 | P76-R80 WeakPolarHBondContact O-CG 3.38Å; P76-R80 PolarHBondContact O-N 3.22Å |
| 77 | I | 97.7 | Very high | 94.6 | Very high | 115 Ų | 115 | 95.1 Ų | 95.1 | 59% | 0.59 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.1 | -40.6 | 174.4 | -173.8 | 64.1 | 0 | 0 | 0 | 111.5 | S75 Q79 R80 F81 | S75-I77 PolarHBondContact O-N 3.09Å; S75-I77 VanDerWaalsContact O-N 3.15Å; S75-I77 VanDerWaalsContact OG-CG2 3.24Å; S75-I77 WeakPolarHBondContact OG-CG2 3.24Å; I77-Q79 VanDerWaalsContact C-N 3.31Å; I77-Q79 PolarHBondContact O-N 2.98Å; I77-R80 PolarHBondContact O-N 2.91Å; I77-F81 WeakPolarHBondContact O-CB 3.05Å; I77-F81 PolarHBondContact O-N 2.83Å |
| 78 | E | 96.5 | Very high | 95 | Very high | 102 Ų | 102 | 94 Ų | 94 | 48% | 0.477 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 174 | -75.5 | 154.3 | -139.8 | 0 | 0 | 111.7 | C74 S75 F81 K82 | C74-E78 VanDerWaalsContact CA-OE2 3.3Å; C74-E78 WeakPolarHBondContact CA-OE2 3.41Å; C74-E78 HydrophobicContact CB-CB 4.15Å; S75-E78 WeakPolarHBondContact CB-OE1 3.36Å; S75-E78 PolarHBondContact N-OE2 3.24Å; S75-E78 WeakPolarHBondContact O-CB 3.39Å; S75-E78 PolarHBondContact O-N 3.12Å; S75-E78 VanDerWaalsContact OG-CG 3.22Å; S75-E78 WeakPolarHBondContact OG-CG 3.23Å; S75-E78 PolarHBondContact OG-N 2.76Å; S75-E78 PolarHBondContact OG-OE1 2.71Å; E78-F81 PolarHBondContact O-N 3.21Å; E78-K82 WeakPolarHBondContact O-CB 3.34Å; E78-K82 PolarHBondContact O-N 2.83Å |
| 79 | Q | 96.9 | Very high | 95.4 | Very high | 103 Ų | 103 | 97.3 Ų | 97.3 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 176.4 | -68.6 | 174.7 | 10.4 | 0 | 0 | 111.6 | C74 S75 I77 K82 Q83 | C74-Q79 HydrophobicContact CB-CG 3.76Å; C74-Q79 PolarHBondContact O-NE2 2.98Å; S75-Q79 WeakPolarHBondContact O-CG 3.45Å; S75-Q79 PolarHBondContact O-N 2.98Å; I77-Q79 VanDerWaalsContact C-N 3.31Å; I77-Q79 PolarHBondContact O-N 2.98Å; Q79-K82 PolarHBondContact O-N 2.78Å; Q79-Q83 WeakPolarHBondContact O-CG 3.3Å; Q79-Q83 PolarHBondContact O-N 2.87Å |
| 80 | R | 97.9 | Very high | 95.8 | Very high | 178 Ų | 178 | 98.8 Ų | 98.8 | 67% | 0.672 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 176 | -69.3 | 173.7 | -173.9 | -176.1 | 1.6 | 111.6 | P76 I77 Q83 M84 | P76-R80 WeakPolarHBondContact O-CG 3.38Å; P76-R80 PolarHBondContact O-N 3.22Å; I77-R80 PolarHBondContact O-N 2.91Å; R80-Q83 PolarHBondContact O-N 3Å; R80-M84 PolarHBondContact O-N 2.96Å |
| 81 | F | 98.2 | Very high | 96.1 | Very high | 115 Ų | 115 | 103.6 Ų | 103.6 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 178.4 | -177.2 | -107.8 | 0 | 0 | 0 | 111.7 | I77 E78 Q83 M84 L85 | I77-F81 WeakPolarHBondContact O-CB 3.05Å; I77-F81 PolarHBondContact O-N 2.83Å; E78-F81 PolarHBondContact O-N 3.21Å; F81-Q83 PolarHBondContact O-N 3.1Å; F81-M84 HydrophobicContact CD2-CE 3.47Å; F81-M84 VanDerWaalsContact CD2-CE 3.47Å; F81-M84 HydrophobicContact CE2-CE 3.45Å; F81-M84 VanDerWaalsContact CE2-CE 3.45Å; F81-M84 PolarHBondContact O-N 2.91Å; F81-L85 HydrophobicContact CD1-CD1 3.84Å; F81-L85 HydrophobicContact CD1-CG 4.25Å; F81-L85 HydrophobicContact CE1-CD1 3.33Å; F81-L85 HydrophobicContact CE1-CD2 4.41Å; F81-L85 HydrophobicContact CE1-CG 3.89Å; F81-L85 HydrophobicContact CE2-CD2 4.46Å; F81-L85 HydrophobicContact CE2-CG 4.38Å; F81-L85 HydrophobicContact CZ-CD1 3.8Å; F81-L85 HydrophobicContact CZ-CD2 4.03Å; F81-L85 HydrophobicContact CZ-CG 3.95Å; F81-L85 WeakPolarHBondContact O-CG 3.45Å; F81-L85 PolarHBondContact O-N 2.91Å |
| 82 | K | 97.3 | Very high | 96.4 | Very high | 113 Ų | 113 | 106.1 Ų | 106.1 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 174.2 | -179.3 | -179.5 | 177.3 | -178.3 | 0 | 111.5 | E78 Q79 L85 Q86 | E78-K82 WeakPolarHBondContact O-CB 3.34Å; E78-K82 PolarHBondContact O-N 2.83Å; Q79-K82 PolarHBondContact O-N 2.78Å; K82-L85 PolarHBondContact O-N 3.33Å; K82-Q86 WeakPolarHBondContact O-CB 3.21Å; K82-Q86 VanDerWaalsContact O-CG 3.3Å; K82-Q86 WeakPolarHBondContact O-CG 3.31Å; K82-Q86 PolarHBondContact O-N 2.98Å |
| 83 | Q | 97.8 | Very high | 96.8 | Very high | 109 Ų | 109 | 105.2 Ų | 105.2 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 176.6 | -72.9 | 168.8 | -7.1 | 0 | 0 | 111.7 | Q79 R80 F81 L85 Q86 Q87 | Q79-Q83 WeakPolarHBondContact O-CG 3.3Å; Q79-Q83 PolarHBondContact O-N 2.87Å; R80-Q83 PolarHBondContact O-N 3Å; F81-Q83 PolarHBondContact O-N 3.1Å; Q83-L85 VanDerWaalsContact C-N 3.34Å; Q83-L85 PolarHBondContact O-N 3.44Å; Q83-Q86 PolarHBondContact O-N 3.11Å; Q83-Q87 WeakPolarHBondContact O-CG 3.5Å; Q83-Q87 PolarHBondContact O-N 2.9Å |
| 84 | M | 98.2 | Very high | 97.1 | Very high | 82 Ų | 82 | 107.8 Ų | 107.8 | 40% | 0.404 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 176 | -177.7 | -164.8 | 74.6 | 0 | 0 | 111.8 | R80 F81 Q87 M88 | R80-M84 PolarHBondContact O-N 2.96Å; F81-M84 HydrophobicContact CD2-CE 3.47Å; F81-M84 VanDerWaalsContact CD2-CE 3.47Å; F81-M84 HydrophobicContact CE2-CE 3.45Å; F81-M84 VanDerWaalsContact CE2-CE 3.45Å; F81-M84 PolarHBondContact O-N 2.91Å; M84-Q87 PolarHBondContact O-N 2.88Å; M84-M88 HydrophobicContact CE-CE 3.9Å; M84-M88 HydrophobicContact CG-CE 4.36Å; M84-M88 WeakPolarHBondContact O-CG 3.45Å; M84-M88 PolarHBondContact O-N 2.92Å |
| 85 | L | 98.3 | Very high | 97.3 | Very high | 77 Ų | 77 | 109.5 Ų | 109.5 | 40% | 0.403 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 175.8 | -75.3 | -177.6 | 0 | 0 | 0 | 111.8 | F81 K82 Q83 Q87 M88 E89 | F81-L85 HydrophobicContact CD1-CD1 3.84Å; F81-L85 HydrophobicContact CD1-CG 4.25Å; F81-L85 HydrophobicContact CE1-CD1 3.33Å; F81-L85 HydrophobicContact CE1-CD2 4.41Å; F81-L85 HydrophobicContact CE1-CG 3.89Å; F81-L85 HydrophobicContact CE2-CD2 4.46Å; F81-L85 HydrophobicContact CE2-CG 4.38Å; F81-L85 HydrophobicContact CZ-CD1 3.8Å; F81-L85 HydrophobicContact CZ-CD2 4.03Å; F81-L85 HydrophobicContact CZ-CG 3.95Å; F81-L85 WeakPolarHBondContact O-CG 3.45Å; F81-L85 PolarHBondContact O-N 2.91Å; K82-L85 PolarHBondContact O-N 3.33Å; Q83-L85 VanDerWaalsContact C-N 3.34Å; Q83-L85 PolarHBondContact O-N 3.44Å; L85-Q87 VanDerWaalsContact C-N 3.33Å; L85-Q87 PolarHBondContact O-N 3.3Å; L85-M88 HydrophobicContact CD2-CE 3.64Å; L85-M88 PolarHBondContact O-N 3.34Å; L85-E89 WeakPolarHBondContact O-CB 3.49Å; L85-E89 PolarHBondContact O-N 3.4Å |
| 86 | Q | 97.6 | Very high | 97.3 | Very high | 100 Ų | 100 | 110.3 Ų | 110.3 | 47% | 0.467 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 177.3 | -73.8 | 175.2 | -32.1 | 0 | 0 | 112 | K82 Q83 E89 L90 | K82-Q86 WeakPolarHBondContact O-CB 3.21Å; K82-Q86 VanDerWaalsContact O-CG 3.3Å; K82-Q86 WeakPolarHBondContact O-CG 3.31Å; K82-Q86 PolarHBondContact O-N 2.98Å; Q83-Q86 PolarHBondContact O-N 3.11Å; Q86-E89 PolarHBondContact O-N 3.46Å; Q86-L90 WeakPolarHBondContact O-CB 3.41Å; Q86-L90 PolarHBondContact O-N 2.91Å |
| 87 | Q | 98.1 | Very high | 97.2 | Very high | 121 Ų | 121 | 112.7 Ų | 112.7 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -48.4 | 174.5 | -74.4 | 173.9 | -12.3 | 0 | 0 | 111.7 | Q83 M84 L85 E89 L90 E91 | Q83-Q87 WeakPolarHBondContact O-CG 3.5Å; Q83-Q87 PolarHBondContact O-N 2.9Å; M84-Q87 PolarHBondContact O-N 2.88Å; L85-Q87 VanDerWaalsContact C-N 3.33Å; L85-Q87 PolarHBondContact O-N 3.3Å; Q87-E89 VanDerWaalsContact C-N 3.25Å; Q87-E89 PolarHBondContact O-N 3.01Å; Q87-L90 PolarHBondContact O-N 3.16Å; Q87-E91 WeakPolarHBondContact O-CB 3.24Å; Q87-E91 VanDerWaalsContact O-CG 3.31Å; Q87-E91 WeakPolarHBondContact O-CG 3.4Å; Q87-E91 PolarHBondContact O-N 3.44Å |
| 88 | M | 98.3 | Very high | 97.1 | Very high | 64 Ų | 64 | 110 Ų | 110 | 32% | 0.315 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.4 | -33 | 177.2 | -74.9 | -166.9 | -61.1 | 0 | 0 | 112.9 | M84 L85 K92 | M84-M88 HydrophobicContact CE-CE 3.9Å; M84-M88 HydrophobicContact CG-CE 4.36Å; M84-M88 WeakPolarHBondContact O-CG 3.45Å; M84-M88 PolarHBondContact O-N 2.92Å; L85-M88 HydrophobicContact CD2-CE 3.64Å; L85-M88 PolarHBondContact O-N 3.34Å; M88-K92 VanDerWaalsContact O-CB 3.3Å; M88-K92 WeakPolarHBondContact O-CB 3.47Å; M88-K92 VanDerWaalsContact O-CG 3.28Å; M88-K92 WeakPolarHBondContact O-CG 3.32Å; M88-K92 PolarHBondContact O-N 3.41Å |
| 89 | E | 98 | Very high | 97 | Very high | 139 Ų | 139 | 108.7 Ų | 108.7 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -48.4 | 174.6 | -176.2 | 172.5 | -166.3 | 0 | 0 | 110.3 | L85 Q86 Q87 K92 S93 | L85-E89 WeakPolarHBondContact O-CB 3.49Å; L85-E89 PolarHBondContact O-N 3.4Å; Q86-E89 PolarHBondContact O-N 3.46Å; Q87-E89 VanDerWaalsContact C-N 3.25Å; Q87-E89 PolarHBondContact O-N 3.01Å; E89-K92 CarbonylContact O-C 3.58Å; E89-K92 PolarHBondContact O-N 2.93Å; E89-S93 VanDerWaalsContact O-CB 3.24Å; E89-S93 WeakPolarHBondContact O-CB 3.38Å; E89-S93 PolarHBondContact O-N 3.38Å; E89-S93 PolarHBondContact O-OG 3.32Å |
| 90 | L | 96.3 | Very high | 96.8 | Very high | 122 Ų | 122 | 106.9 Ų | 106.9 | 64% | 0.639 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.8 | -41.7 | 178.1 | -174.4 | 147.6 | 0 | 0 | 0 | 113 | Q86 Q87 K92 S93 | Q86-L90 WeakPolarHBondContact O-CB 3.41Å; Q86-L90 PolarHBondContact O-N 2.91Å; Q87-L90 PolarHBondContact O-N 3.16Å; L90-K92 PolarHBondContact O-N 3.49Å; L90-S93 WeakPolarHBondContact CA-OG 3.38Å; L90-S93 PolarHBondContact O-N 3.19Å; L90-S93 PolarHBondContact O-OG 3.34Å |
| 91 | E | 96.8 | Very high | 96.5 | Very high | 143 Ų | 143 | 101.1 Ų | 101.1 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67 | -26.1 | 178.6 | -73.3 | 173.9 | -176.2 | 0 | 0 | 113.2 | Q87 | Q87-E91 WeakPolarHBondContact O-CB 3.24Å; Q87-E91 VanDerWaalsContact O-CG 3.31Å; Q87-E91 WeakPolarHBondContact O-CG 3.4Å; Q87-E91 PolarHBondContact O-N 3.44Å |
| 92 | K | 96.8 | Very high | 96.3 | Very high | 161 Ų | 161 | 98.5 Ų | 98.5 | 70% | 0.7 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -105.6 | -4.5 | -177.6 | -64.8 | 176 | -177.4 | 169.9 | 0 | 112.9 | M88 E89 L90 | M88-K92 VanDerWaalsContact O-CB 3.3Å; M88-K92 WeakPolarHBondContact O-CB 3.47Å; M88-K92 VanDerWaalsContact O-CG 3.28Å; M88-K92 WeakPolarHBondContact O-CG 3.32Å; M88-K92 PolarHBondContact O-N 3.41Å; E89-K92 CarbonylContact O-C 3.58Å; E89-K92 PolarHBondContact O-N 2.93Å; L90-K92 PolarHBondContact O-N 3.49Å |
| 93 | S | 97.4 | Very high | 96.1 | Very high | 62 Ų | 62 | 97.4 Ų | 97.4 | 43% | 0.434 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -79.4 | 152.1 | 176.5 | 57 | 0 | 0 | 0 | 0 | 111 | E89 L90 | E89-S93 VanDerWaalsContact O-CB 3.24Å; E89-S93 WeakPolarHBondContact O-CB 3.38Å; E89-S93 PolarHBondContact O-N 3.38Å; E89-S93 PolarHBondContact O-OG 3.32Å; L90-S93 WeakPolarHBondContact CA-OG 3.38Å; L90-S93 PolarHBondContact O-N 3.19Å; L90-S93 PolarHBondContact O-OG 3.34Å |
| 94 | M | 96.1 | Very high | 95.7 | Very high | 170 Ų | 170 | 97.3 Ų | 97.3 | 84% | 0.837 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -79.3 | 161.2 | 165.9 | -59.6 | -60.8 | -67.8 | 0 | 0 | 109.4 | S96 | M94-S96 PolarHBondContact O-N 3.36Š|
| 95 | L | 95.8 | Very high | 95.3 | Very high | 96 Ų | 96 | 93.9 Ų | 93.9 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 130.4 | 172.3 | -65.7 | 171.7 | 0 | 0 | 0 | 109.9 | E99 L100 M103 | L95-E99 WeakPolarHBondContact CA-OE2 3.21Å; L95-E99 HydrophobicContact CD2-CB 4.22Å; L95-L100 HydrophobicContact CB-CD2 3.96Å; L95-L100 HydrophobicContact CB-CG 4.02Å; L95-L100 HydrophobicContact CD1-CD2 3.76Å; L95-M103 HydrophobicContact CD1-SD 4.14Å |
| 96 | S | 96.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 93.1 Ų | 93.1 | 37% | 0.371 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 158.3 | 172.2 | 62.7 | 0 | 0 | 0 | 0 | 111.2 | M94 H98 E99 L100 | M94-S96 PolarHBondContact O-N 3.36Å; S96-H98 PolarHBondContact O-N 3.23Å; S96-H98 VanDerWaalsContact O-N 3.15Å; S96-E99 WeakPolarHBondContact CB-OE2 3.31Å; S96-E99 PolarHBondContact N-OE2 2.91Å; S96-E99 PolarHBondContact O-N 2.71Å; S96-E99 VanDerWaalsContact OG-CD 3.3Å; S96-E99 VanDerWaalsContact OG-CG 3.29Å; S96-E99 WeakPolarHBondContact OG-CG 2.85Å; S96-E99 PolarHBondContact OG-N 2.97Å; S96-E99 PolarHBondContact OG-OE2 3.46Å; S96-L100 PolarHBondContact O-N 2.72Å |
| 97 | D | 95.7 | Very high | 94.6 | Very high | 142 Ų | 142 | 93.1 Ų | 93.1 | 76% | 0.759 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -56 | -33.4 | 176.6 | -60.6 | -19.4 | 0 | 0 | 0 | 111.9 | R101 | D97-R101 VanDerWaalsContact O-CB 3.32Å; D97-R101 WeakPolarHBondContact O-CB 3.48Å; D97-R101 PolarHBondContact O-N 3.08Å |
| 98 | H | 94.3 | Very high | 94 | Very high | 59 Ų | 59 | 91.2 Ų | 91.2 | 27% | 0.273 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 176.1 | -175.4 | -85.6 | 0 | 0 | 0 | 112.3 | S96 R101 L102 T131 E135 W138 | S96-H98 PolarHBondContact O-N 3.23Å; S96-H98 VanDerWaalsContact O-N 3.15Å; H98-R101 PolarHBondContact O-N 2.9Å; H98-L102 WeakPolarHBondContact O-CB 3.48Å; H98-L102 PolarHBondContact O-N 2.9Å; H98-T131 VanDerWaalsContact CE1-CG2 3.49Å; H98-T131 WeakPolarHBondContact CE1-CG2 3.5Å; H98-T131 WeakPolarHBondContact NE2-CG2 3.27Å; H98-E135 IonicContact CE1-OE1 3.97Å; H98-E135 PolarHBondContact CE1-OE1 2.79Å; H98-E135 VanDerWaalsContact CE1-OE1 3.26Å; H98-W138 AromaticContact CD2-CH2 3.87Å; H98-W138 AromaticContact NE2-CH2 3.78Å; H98-W138 AromaticContact NE2-CZ3 3.55Å |
| 99 | E | 93.7 | Very high | 93.3 | Very high | 73 Ų | 73 | 92 Ų | 92 | 34% | 0.341 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 177.9 | -69.9 | 163.1 | 140.9 | 0 | 0 | 111.9 | L95 S96 L102 M103 | L95-E99 WeakPolarHBondContact CA-OE2 3.21Å; L95-E99 HydrophobicContact CD2-CB 4.22Å; S96-E99 WeakPolarHBondContact CB-OE2 3.31Å; S96-E99 PolarHBondContact N-OE2 2.91Å; S96-E99 PolarHBondContact O-N 2.71Å; S96-E99 VanDerWaalsContact OG-CD 3.3Å; S96-E99 VanDerWaalsContact OG-CG 3.29Å; S96-E99 WeakPolarHBondContact OG-CG 2.85Å; S96-E99 PolarHBondContact OG-N 2.97Å; S96-E99 PolarHBondContact OG-OE2 3.46Å; E99-L102 PolarHBondContact O-N 2.83Å; E99-M103 WeakPolarHBondContact O-CG 3.31Å; E99-M103 PolarHBondContact O-N 2.8Å |
| 100 | L | 94.4 | Very high | 92.8 | Very high | 65 Ų | 65 | 89.1 Ų | 89.1 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 174.6 | -70.2 | 173 | 0 | 0 | 0 | 110.9 | L95 S96 L102 M103 E104 | L95-L100 HydrophobicContact CB-CD2 3.96Å; L95-L100 HydrophobicContact CB-CG 4.02Å; L95-L100 HydrophobicContact CD1-CD2 3.76Å; S96-L100 PolarHBondContact O-N 2.72Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L100-L102 PolarHBondContact O-N 2.78Å; L100-M103 WeakPolarHBondContact O-CB 3.43Å; L100-M103 PolarHBondContact O-N 2.87Å; L100-E104 WeakPolarHBondContact O-CG 3.37Å; L100-E104 PolarHBondContact O-N 2.8Å |
| 101 | R | 91.7 | Very high | 92.3 | Very high | 58 Ų | 58 | 90.5 Ų | 90.5 | 22% | 0.219 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 177.9 | -170.7 | -178.4 | 158.5 | 153.6 | -9.4 | 112.5 | D97 H98 M103 E104 D105 E127 M129 T131 | D97-R101 VanDerWaalsContact O-CB 3.32Å; D97-R101 WeakPolarHBondContact O-CB 3.48Å; D97-R101 PolarHBondContact O-N 3.08Å; H98-R101 PolarHBondContact O-N 2.9Å; R101-M103 VanDerWaalsContact C-N 3.32Å; R101-M103 PolarHBondContact O-N 3.24Å; R101-E104 PolarHBondContact O-N 3.02Å; R101-D105 WeakPolarHBondContact O-CB 3.33Å; R101-D105 VanDerWaalsContact O-CG 3.26Å; R101-D105 PolarHBondContact O-N 2.99Å; R101-E127 IonicContact CZ-OE1 3.1Å; R101-E127 IonicContact CZ-OE2 3.26Å; R101-E127 IonicContact NE-OE2 2.72Å; R101-E127 IonicContact NH1-OE1 3.28Å; R101-E127 PolarHBondContact NH1-OE1 3.4Å; R101-E127 IonicContact NH1-OE2 3.17Å; R101-E127 PolarHBondContact NH1-OE2 3.22Å; R101-E127 IonicContact NH2-OE1 2.71Å; R101-E127 PolarHBondContact NH2-OE1 3.36Å; R101-E127 IonicContact NH2-OE2 2.81Å; R101-E127 PolarHBondContact NH2-OE2 3.23Å; R101-M129 PolarHBondContact NH2-O 3.02Å; R101-T131 WeakPolarHBondContact CG-OG1 3.45Å; R101-T131 PolarHBondContact NE-OG1 2.74Å |
| 102 | L | 92.8 | Very high | 91.5 | Very high | 60 Ų | 60 | 88.9 Ų | 88.9 | 31% | 0.314 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 175 | -173.1 | 69.2 | 0 | 0 | 0 | 111.6 | H98 E99 L100 A106 T131 | H98-L102 WeakPolarHBondContact O-CB 3.48Å; H98-L102 PolarHBondContact O-N 2.9Å; E99-L102 PolarHBondContact O-N 2.83Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L100-L102 PolarHBondContact O-N 2.78Å; L102-A106 WeakPolarHBondContact O-CB 3.49Å; L102-A106 PolarHBondContact O-N 2.88Å; L102-T131 HydrophobicContact CB-CG2 4.17Å; L102-T131 HydrophobicContact CD1-CG2 4.01Å |
| 103 | M | 92.5 | Very high | 90.9 | Very high | 90 Ų | 90 | 88.2 Ų | 88.2 | 44% | 0.443 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 175 | -72.6 | 173.2 | 23.5 | 0 | 0 | 112 | L95 E99 L100 R101 D105 A106 E107 | L95-M103 HydrophobicContact CD1-SD 4.14Å; E99-M103 WeakPolarHBondContact O-CG 3.31Å; E99-M103 PolarHBondContact O-N 2.8Å; L100-M103 WeakPolarHBondContact O-CB 3.43Å; L100-M103 PolarHBondContact O-N 2.87Å; R101-M103 VanDerWaalsContact C-N 3.32Å; R101-M103 PolarHBondContact O-N 3.24Å; M103-D105 PolarHBondContact O-N 2.94Å; M103-A106 PolarHBondContact O-N 3.44Å; M103-E107 WeakPolarHBondContact O-CG 3.45Å; M103-E107 PolarHBondContact O-N 3.49Å |
| 104 | E | 91.2 | Very high | 90.3 | Very high | 107 Ų | 107 | 87.8 Ų | 87.8 | 50% | 0.5 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 178 | -70.6 | 173.7 | -176.4 | 0 | 0 | 112.2 | L100 R101 E107 R108 | L100-E104 WeakPolarHBondContact O-CG 3.37Å; L100-E104 PolarHBondContact O-N 2.8Å; R101-E104 PolarHBondContact O-N 3.02Å; E104-E107 PolarHBondContact O-N 2.83Å; E104-R108 WeakPolarHBondContact O-CB 3.45Å; E104-R108 WeakPolarHBondContact O-CG 3.46Å; E104-R108 PolarHBondContact O-N 3.03Å |
| 105 | D | 89.4 | Confident | 89 | Confident | 10 Ų | 10 | 87.8 Ų | 87.8 | 5% | 0.053 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.5 | -46 | 174.1 | -78.4 | -6.6 | 0 | 0 | 0 | 110.8 | R101 M103 R108 M109 M130 T131 | R101-D105 WeakPolarHBondContact O-CB 3.33Å; R101-D105 VanDerWaalsContact O-CG 3.26Å; R101-D105 PolarHBondContact O-N 2.99Å; M103-D105 PolarHBondContact O-N 2.94Å; D105-R108 PolarHBondContact O-N 3.43Å; D105-R108 IonicContact OD1-CZ 3.47Å; D105-R108 IonicContact OD1-NH1 2.83Å; D105-R108 PolarHBondContact OD1-NH1 3.22Å; D105-R108 IonicContact OD1-NH2 3.21Å; D105-R108 PolarHBondContact OD1-NH2 3.49Å; D105-M109 WeakPolarHBondContact O-CB 3.49Å; D105-M109 VanDerWaalsContact O-CG 3.22Å; D105-M109 WeakPolarHBondContact O-CG 3.39Å; D105-M109 PolarHBondContact O-N 2.73Å; D105-M130 HydrophobicContact CB-CE 3.73Å; D105-T131 VanDerWaalsContact OD2-CB 3.25Å; D105-T131 WeakPolarHBondContact OD2-CB 3.3Å; D105-T131 PolarHBondContact OD2-N 3.29Å; D105-T131 PolarHBondContact OD2-OG1 2.93Å |
| 106 | A | 90.3 | Very high | 87.9 | Confident | 61 Ų | 61 | 91.2 Ų | 91.2 | 50% | 0.504 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65 | -41 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L102 M103 M109 S110 | L102-A106 WeakPolarHBondContact O-CB 3.49Å; L102-A106 PolarHBondContact O-N 2.88Å; M103-A106 PolarHBondContact O-N 3.44Å; A106-M109 PolarHBondContact O-N 2.86Å; A106-S110 WeakPolarHBondContact O-CB 3.29Å; A106-S110 PolarHBondContact O-N 2.97Å |
| 107 | E | 89.9 | Confident | 86.5 | Confident | 99 Ų | 99 | 92.8 Ų | 92.8 | 46% | 0.463 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 174.6 | -76 | -171.9 | -162 | 0 | 0 | 111.8 | M103 E104 M109 S110 R111 | M103-E107 WeakPolarHBondContact O-CG 3.45Å; M103-E107 PolarHBondContact O-N 3.49Å; E104-E107 PolarHBondContact O-N 2.83Å; E107-M109 VanDerWaalsContact C-N 3.29Å; E107-M109 PolarHBondContact O-N 3.4Å; E107-S110 PolarHBondContact O-N 2.8Å; E107-R111 WeakPolarHBondContact O-CG 3.46Å; E107-R111 PolarHBondContact O-N 2.88Å; E107-R111 IonicContact OE2-NH2 3.16Å; E107-R111 PolarHBondContact OE2-NH2 2.79Å |
| 108 | R | 85 | Confident | 85.2 | Confident | 82 Ų | 82 | 91 Ų | 91 | 31% | 0.309 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 175.3 | -79.3 | -173.7 | -99.2 | 106.2 | 1.7 | 111.1 | E104 D105 R111 R112 | E104-R108 WeakPolarHBondContact O-CB 3.45Å; E104-R108 WeakPolarHBondContact O-CG 3.46Å; E104-R108 PolarHBondContact O-N 3.03Å; D105-R108 PolarHBondContact O-N 3.43Å; D105-R108 IonicContact OD1-CZ 3.47Å; D105-R108 IonicContact OD1-NH1 2.83Å; D105-R108 PolarHBondContact OD1-NH1 3.22Å; D105-R108 IonicContact OD1-NH2 3.21Å; D105-R108 PolarHBondContact OD1-NH2 3.49Å; R108-R111 PolarHBondContact O-N 2.7Å; R108-R112 WeakPolarHBondContact O-CG 3.15Å; R108-R112 PolarHBondContact O-N 2.9Å |
| 109 | M | 83.8 | Confident | 83.7 | Confident | 79 Ų | 79 | 92.2 Ų | 92.2 | 39% | 0.389 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 176.6 | -70.6 | -61.9 | -72.4 | 0 | 0 | 112.8 | D105 A106 E107 Q113 M130 | D105-M109 WeakPolarHBondContact O-CB 3.49Å; D105-M109 VanDerWaalsContact O-CG 3.22Å; D105-M109 WeakPolarHBondContact O-CG 3.39Å; D105-M109 PolarHBondContact O-N 2.73Å; A106-M109 PolarHBondContact O-N 2.86Å; E107-M109 VanDerWaalsContact C-N 3.29Å; E107-M109 PolarHBondContact O-N 3.4Å; M109-Q113 VanDerWaalsContact O-CG 3.3Å; M109-Q113 WeakPolarHBondContact O-CG 3.25Å; M109-Q113 PolarHBondContact O-N 3.15Å; M109-Q113 PolarHBondContact O-NE2 2.83Å; M109-M130 HydrophobicContact CG-CE 3.75Å; M109-M130 HydrophobicContact SD-CE 4.04Å |
| 110 | S | 87.3 | Confident | 82.2 | Confident | 80 Ų | 80 | 94.6 Ų | 94.6 | 56% | 0.559 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.5 | -38.5 | 176.4 | -175.5 | 0 | 0 | 0 | 0 | 112.6 | A106 E107 Q113 A114 | A106-S110 WeakPolarHBondContact O-CB 3.29Å; A106-S110 PolarHBondContact O-N 2.97Å; E107-S110 PolarHBondContact O-N 2.8Å; S110-Q113 PolarHBondContact O-N 3.46Å; S110-A114 PolarHBondContact O-N 2.87Å |
| 111 | R | 85.8 | Confident | 80.5 | Confident | 151 Ų | 151 | 99.6 Ų | 99.6 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | 177.5 | -69.3 | 176 | -162.5 | -172.7 | 9 | 111.3 | E107 R108 Q113 A114 Y117 | E107-R111 WeakPolarHBondContact O-CG 3.46Å; E107-R111 PolarHBondContact O-N 2.88Å; E107-R111 IonicContact OE2-NH2 3.16Å; E107-R111 PolarHBondContact OE2-NH2 2.79Å; R108-R111 PolarHBondContact O-N 2.7Å; R111-Q113 PolarHBondContact O-N 3.4Å; R111-A114 WeakPolarHBondContact O-CB 3.4Å; R111-A114 PolarHBondContact O-N 3.06Å; R111-A114 VanDerWaalsContact O-N 3.11Å; R111-Y117 WeakPolarHBondContact O-CD2 3.49Å |
| 112 | R | 81.9 | Confident | 79 | Confident | 108 Ų | 108 | 99 Ų | 99 | 41% | 0.408 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -27.5 | 174.9 | -72.3 | 176.1 | -179.8 | -179.4 | 2.1 | 113.7 | R108 Y117 D122 | R108-R112 WeakPolarHBondContact O-CG 3.15Å; R108-R112 PolarHBondContact O-N 2.9Å; R112-Y117 HydrophobicContact CB-CE2 4.4Å; R112-Y117 HydrophobicContact CG-CD2 4.27Å; R112-Y117 HydrophobicContact CG-CE1 4.46Å; R112-Y117 HydrophobicContact CG-CE2 3.64Å; R112-D122 IonicContact CZ-OD2 2.73Å; R112-D122 IonicContact NE-OD2 3.04Å; R112-D122 PolarHBondContact NE-OD2 3.46Å; R112-D122 IonicContact NH2-OD2 3.06Å; R112-D122 PolarHBondContact NH2-OD2 2.9Å |
| 113 | Q | 82.5 | Confident | 77.2 | Confident | 147 Ų | 147 | 103.2 Ų | 103.2 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -12.1 | 175.8 | -73.7 | 175.2 | 43.9 | 0 | 0 | 113.5 | M109 S110 R111 | M109-Q113 VanDerWaalsContact O-CG 3.3Å; M109-Q113 WeakPolarHBondContact O-CG 3.25Å; M109-Q113 PolarHBondContact O-N 3.15Å; M109-Q113 PolarHBondContact O-NE2 2.83Å; S110-Q113 PolarHBondContact O-N 3.46Å; R111-Q113 PolarHBondContact O-N 3.4Å |
| 114 | A | 85.7 | Confident | 75.4 | Confident | 53 Ų | 53 | 101.8 Ų | 101.8 | 44% | 0.438 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -79.4 | 139.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | S110 R111 D116 Y117 | S110-A114 PolarHBondContact O-N 2.87Å; R111-A114 WeakPolarHBondContact O-CB 3.4Å; R111-A114 PolarHBondContact O-N 3.06Å; R111-A114 VanDerWaalsContact O-N 3.11Å; A114-D116 PolarHBondContact O-N 3.35Å; A114-D116 VanDerWaalsContact O-N 3.15Å; A114-Y117 WeakPolarHBondContact O-CB 3.48Å; A114-Y117 PolarHBondContact O-N 2.87Å |
| 115 | D | 69.1 | Low | 73.8 | Confident | 171 Ų | 171 | 104.6 Ų | 104.6 | 91% | 0.914 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -18.1 | -173.2 | -66 | -34.2 | 0 | 0 | 0 | 114 | Y117 | D115-Y117 PolarHBondContact O-N 3.39Š|
| 116 | D | 72.1 | Confident | 72.4 | Confident | 167 Ų | 167 | 111 Ų | 111 | 89% | 0.893 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 25.7 | -179.8 | -78.7 | -17 | 0 | 0 | 0 | 113.5 | A114 D118 | A114-D116 PolarHBondContact O-N 3.35Å; A114-D116 VanDerWaalsContact O-N 3.15Å; D116-D118 PolarHBondContact O-N 2.96Å |
| 117 | Y | 66.4 | Low | 71.2 | Confident | 87 Ų | 87 | 113.7 Ų | 113.7 | 34% | 0.341 | 59% | 0.587 | S | S | . | * | trans | -74.8 | 117.9 | -176.1 | -175.5 | -99.4 | 0 | 0 | 0 | 112.9 | R111 R112 A114 D115 D122 | R111-Y117 WeakPolarHBondContact O-CD2 3.49Å; R112-Y117 HydrophobicContact CB-CE2 4.4Å; R112-Y117 HydrophobicContact CG-CD2 4.27Å; R112-Y117 HydrophobicContact CG-CE1 4.46Å; R112-Y117 HydrophobicContact CG-CE2 3.64Å; A114-Y117 WeakPolarHBondContact O-CB 3.48Å; A114-Y117 PolarHBondContact O-N 2.87Å; D115-Y117 PolarHBondContact O-N 3.39Å; Y117-D122 WeakPolarHBondContact OH-CB 3.46Å; Y117-D122 PolarHBondContact OH-OD2 3.33Å | ||
| 118 | D | 69 | Low | 70.4 | Confident | 104 Ų | 104 | 116.6 Ų | 116.6 | 56% | 0.556 | 60% | 0.604 | S | S | * | * | trans | -88.6 | 118.8 | 170.6 | -162.8 | -12.7 | 0 | 0 | 0 | 110.1 | D116 D120 | D116-D118 PolarHBondContact O-N 2.96Å; D118-D120 PolarHBondContact O-N 3.02Å | ||
| 119 | S | 63 | Low | 70.1 | Confident | 84 Ų | 84 | 116.7 Ų | 116.7 | 59% | 0.587 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -72 | -13 | -170.8 | -177.9 | 0 | 0 | 0 | 0 | 114 | ||
| 120 | D | 61.6 | Low | 70.2 | Confident | 124 Ų | 124 | 115.1 Ų | 115.1 | 66% | 0.663 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -86 | -7.6 | -170.5 | -74.8 | -8.5 | 0 | 0 | 0 | 113.8 | D118 | D118-D120 PolarHBondContact O-N 3.02Š|
| 121 | E | 59.8 | Low | 70.4 | Confident | 169 Ų | 169 | 111.4 Ų | 111.4 | 79% | 0.79 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -85.6 | -14.3 | -178.9 | -66 | -167.8 | 164.9 | 0 | 0 | 115 | ||
| 122 | D | 60 | Low | 70.6 | Confident | 47 Ų | 47 | 108.7 Ų | 108.7 | 25% | 0.251 | 57% | 0.569 | S | S | . | * | trans | -104.5 | 18.3 | -164.7 | -116.3 | 20.4 | 0 | 0 | 0 | 114.7 | R112 Y117 G124 | R112-D122 IonicContact CZ-OD2 2.73Å; R112-D122 IonicContact NE-OD2 3.04Å; R112-D122 PolarHBondContact NE-OD2 3.46Å; R112-D122 IonicContact NH2-OD2 3.06Å; R112-D122 PolarHBondContact NH2-OD2 2.9Å; Y117-D122 WeakPolarHBondContact OH-CB 3.46Å; Y117-D122 PolarHBondContact OH-OD2 3.33Å; D122-G124 VanDerWaalsContact C-N 3.28Å; D122-G124 PolarHBondContact O-N 2.96Å | ||
| 123 | L | 55.6 | Low | 71.1 | Confident | 147 Ų | 147 | 106.6 Ų | 106.6 | 77% | 0.77 | 57% | 0.566 | S | S | * | * | trans | -79.1 | 2.8 | -171.9 | -72.3 | 165.4 | 0 | 0 | 0 | 115.4 | ||||
| 124 | G | 54.8 | Low | 71.5 | Confident | 61 Ų | 61 | 101.9 Ų | 101.9 | 63% | 0.629 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -87.4 | -49.5 | -162.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | D122 | D122-G124 VanDerWaalsContact C-N 3.28Å; D122-G124 PolarHBondContact O-N 2.96Å |
| 125 | D | 57.3 | Low | 71.9 | Confident | 166 Ų | 166 | 102.1 Ų | 102.1 | 89% | 0.888 | 54% | 0.537 | S | S | * | . | trans | -164.9 | 89.9 | -179.2 | -90.1 | -37.5 | 0 | 0 | 0 | 108.6 | E127 | D125-E127 VanDerWaalsContact C-N 3.27Å; D125-E127 PolarHBondContact O-N 2.85Å | ||
| 126 | Q | 59.9 | Low | 73.2 | Confident | 144 Ų | 144 | 97.4 Ų | 97.4 | 67% | 0.673 | 51% | 0.512 | S | S | * | . | trans | -77.7 | 83 | 173.6 | -69.7 | 173.3 | -5.2 | 0 | 0 | 108.5 | I128 | Q126-I128 PolarHBondContact O-N 3.4Š| ||
| 127 | E | 65.7 | Low | 74.3 | Confident | 118 Ų | 118 | 91 Ų | 91 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | trans | -58.8 | 115 | 166.1 | -169.4 | 169.7 | -177 | 0 | 0 | 108.5 | R101 D125 M129 | R101-E127 IonicContact CZ-OE1 3.1Å; R101-E127 IonicContact CZ-OE2 3.26Å; R101-E127 IonicContact NE-OE2 2.72Å; R101-E127 IonicContact NH1-OE1 3.28Å; R101-E127 PolarHBondContact NH1-OE1 3.4Å; R101-E127 IonicContact NH1-OE2 3.17Å; R101-E127 PolarHBondContact NH1-OE2 3.22Å; R101-E127 IonicContact NH2-OE1 2.71Å; R101-E127 PolarHBondContact NH2-OE1 3.36Å; R101-E127 IonicContact NH2-OE2 2.81Å; R101-E127 PolarHBondContact NH2-OE2 3.23Å; D125-E127 VanDerWaalsContact C-N 3.27Å; D125-E127 PolarHBondContact O-N 2.85Å; E127-M129 PolarHBondContact O-N 2.76Å | ||
| 128 | I | 71.7 | Confident | 75.7 | Confident | 159 Ų | 159 | 92.6 Ų | 92.6 | 82% | 0.815 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -68.8 | -20.9 | -167 | -57.5 | 174.7 | 0 | 0 | 0 | 111.8 | Q126 | Q126-I128 PolarHBondContact O-N 3.4Š|
| 129 | M | 78.7 | Confident | 77 | Confident | 85 Ų | 85 | 92.1 Ų | 92.1 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -109.3 | 117.2 | -174.7 | -159 | 94.7 | -59.2 | 0 | 0 | 111.1 | R101 E127 D133 L134 | R101-M129 PolarHBondContact NH2-O 3.02Å; E127-M129 PolarHBondContact O-N 2.76Å; M129-D133 HydrophobicContact CE-CB 4.01Å; M129-D133 HydrophobicContact CG-CB 3.96Å; M129-D133 HydrophobicContact SD-CB 4.03Å; M129-L134 HydrophobicContact CG-CD2 3.73Å; M129-L134 HydrophobicContact CG-CG 3.91Å |
| 130 | M | 86.9 | Confident | 78.6 | Confident | 46 Ų | 46 | 93.9 Ų | 93.9 | 23% | 0.227 | 48% | 0.479 | C | S | . | . | trans | -71.8 | 154.6 | 174.9 | -56.6 | -61.7 | -71.1 | 0 | 0 | 109.8 | D105 M109 Q132 D133 L134 | D105-M130 HydrophobicContact CB-CE 3.73Å; M109-M130 HydrophobicContact CG-CE 3.75Å; M109-M130 HydrophobicContact SD-CE 4.04Å; M130-Q132 PolarHBondContact O-N 2.84Å; M130-D133 WeakPolarHBondContact CB-OD2 3.42Å; M130-D133 PolarHBondContact N-OD2 3.39Å; M130-D133 VanDerWaalsContact N-OD2 3.08Å; M130-D133 WeakPolarHBondContact O-CB 3.49Å; M130-D133 PolarHBondContact O-N 3.33Å; M130-D133 VanDerWaalsContact O-N 3.08Å; M130-L134 PolarHBondContact O-N 3.06Å | ||
| 131 | T | 89.9 | Confident | 80.2 | Confident | 1 Ų | 1 | 96.3 Ų | 96.3 | 1% | 0.006 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -59.4 | -35.7 | 177.2 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | H98 R101 L102 D105 D133 L134 E135 | H98-T131 VanDerWaalsContact CE1-CG2 3.49Å; H98-T131 WeakPolarHBondContact CE1-CG2 3.5Å; H98-T131 WeakPolarHBondContact NE2-CG2 3.27Å; R101-T131 WeakPolarHBondContact CG-OG1 3.45Å; R101-T131 PolarHBondContact NE-OG1 2.74Å; L102-T131 HydrophobicContact CB-CG2 4.17Å; L102-T131 HydrophobicContact CD1-CG2 4.01Å; D105-T131 VanDerWaalsContact OD2-CB 3.25Å; D105-T131 WeakPolarHBondContact OD2-CB 3.3Å; D105-T131 PolarHBondContact OD2-N 3.29Å; D105-T131 PolarHBondContact OD2-OG1 2.93Å; T131-D133 PolarHBondContact O-N 3.32Å; T131-L134 WeakPolarHBondContact O-CB 3.46Å; T131-L134 PolarHBondContact O-N 2.87Å; T131-E135 PolarHBondContact O-N 3.41Å; T131-E135 VanDerWaalsContact O-N 3.13Å |
| 132 | Q | 90 | Very high | 81.9 | Confident | 94 Ų | 94 | 94.4 Ų | 94.4 | 44% | 0.439 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 175 | -161.6 | 64.9 | 54.4 | 0 | 0 | 112.9 | M130 L134 E135 D136 | M130-Q132 PolarHBondContact O-N 2.84Å; Q132-L134 PolarHBondContact O-N 2.83Å; Q132-E135 PolarHBondContact NE2-OE2 2.87Å; Q132-E135 PolarHBondContact O-N 3Å; Q132-D136 PolarHBondContact O-N 2.87Å |
| 133 | D | 92.3 | Very high | 83.5 | Confident | 65 Ų | 65 | 99 Ų | 99 | 35% | 0.348 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -33.5 | 177.8 | -58 | -37.8 | 0 | 0 | 0 | 110.9 | M129 M130 T131 S137 | M129-D133 HydrophobicContact CE-CB 4.01Å; M129-D133 HydrophobicContact CG-CB 3.96Å; M129-D133 HydrophobicContact SD-CB 4.03Å; M130-D133 WeakPolarHBondContact CB-OD2 3.42Å; M130-D133 PolarHBondContact N-OD2 3.39Å; M130-D133 VanDerWaalsContact N-OD2 3.08Å; M130-D133 WeakPolarHBondContact O-CB 3.49Å; M130-D133 PolarHBondContact O-N 3.33Å; M130-D133 VanDerWaalsContact O-N 3.08Å; T131-D133 PolarHBondContact O-N 3.32Å; D133-S137 WeakPolarHBondContact O-CB 3.45Å; D133-S137 PolarHBondContact O-N 2.94Å |
| 134 | L | 92.6 | Very high | 85.4 | Confident | 47 Ų | 47 | 98.4 Ų | 98.4 | 25% | 0.246 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -66.8 | -46.6 | 174.7 | -65.9 | 174 | 0 | 0 | 0 | 111.4 | M129 M130 T131 Q132 D136 S137 W138 | M129-L134 HydrophobicContact CG-CD2 3.73Å; M129-L134 HydrophobicContact CG-CG 3.91Å; M130-L134 PolarHBondContact O-N 3.06Å; T131-L134 WeakPolarHBondContact O-CB 3.46Å; T131-L134 PolarHBondContact O-N 2.87Å; Q132-L134 PolarHBondContact O-N 2.83Å; L134-D136 VanDerWaalsContact C-N 3.34Å; L134-D136 PolarHBondContact O-N 2.77Å; L134-S137 WeakPolarHBondContact O-CB 3.41Å; L134-S137 PolarHBondContact O-N 3.11Å; L134-S137 VanDerWaalsContact O-N 3.16Å; L134-S137 PolarHBondContact O-OG 2.81Å; L134-W138 HydrophobicContact CB-CH2 4.23Å; L134-W138 HydrophobicContact CB-CZ2 4.07Å; L134-W138 VanDerWaalsContact O-CG 3.26Å; L134-W138 PolarHBondContact O-N 2.77Å |
| 135 | E | 94.4 | Very high | 87.4 | Confident | 59 Ų | 59 | 102.1 Ų | 102.1 | 28% | 0.276 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.1 | -48.4 | 174.6 | -68.6 | -176.7 | 164.5 | 0 | 0 | 111 | H98 T131 Q132 S137 W138 E139 | H98-E135 IonicContact CE1-OE1 3.97Å; H98-E135 PolarHBondContact CE1-OE1 2.79Å; H98-E135 VanDerWaalsContact CE1-OE1 3.26Å; T131-E135 PolarHBondContact O-N 3.41Å; T131-E135 VanDerWaalsContact O-N 3.13Å; Q132-E135 PolarHBondContact NE2-OE2 2.87Å; Q132-E135 PolarHBondContact O-N 3Å; E135-S137 VanDerWaalsContact C-N 3.29Å; E135-S137 PolarHBondContact O-N 2.83Å; E135-W138 HydrophobicContact CG-CE3 4.5Å; E135-W138 HydrophobicContact CG-CZ3 4.41Å; E135-W138 PolarHBondContact O-N 2.98Å; E135-W138 VanDerWaalsContact O-N 3.09Å; E135-E139 WeakPolarHBondContact O-CG 3.17Å; E135-E139 PolarHBondContact O-N 3.45Å |
| 136 | D | 95.3 | Very high | 89.1 | Confident | 72 Ų | 72 | 102.5 Ų | 102.5 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59 | -41.6 | 177.2 | -75.7 | -11.8 | 0 | 0 | 0 | 111.6 | Q132 L134 W138 E139 Q140 | Q132-D136 PolarHBondContact O-N 2.87Å; L134-D136 VanDerWaalsContact C-N 3.34Å; L134-D136 PolarHBondContact O-N 2.77Å; D136-W138 VanDerWaalsContact C-N 3.33Å; D136-W138 PolarHBondContact O-N 3.34Å; D136-E139 PolarHBondContact O-N 2.95Å; D136-Q140 WeakPolarHBondContact O-CB 3.35Å; D136-Q140 VanDerWaalsContact O-CG 3.25Å; D136-Q140 WeakPolarHBondContact O-CG 3.4Å; D136-Q140 PolarHBondContact O-N 3.16Å |
| 137 | S | 95.7 | Very high | 90.6 | Very high | 31 Ų | 31 | 100.2 Ų | 100.2 | 22% | 0.217 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.7 | 86.9 | 0 | 0 | 0 | 0 | 112.2 | D133 L134 E135 Q140 R141 | D133-S137 WeakPolarHBondContact O-CB 3.45Å; D133-S137 PolarHBondContact O-N 2.94Å; L134-S137 WeakPolarHBondContact O-CB 3.41Å; L134-S137 PolarHBondContact O-N 3.11Å; L134-S137 VanDerWaalsContact O-N 3.16Å; L134-S137 PolarHBondContact O-OG 2.81Å; E135-S137 VanDerWaalsContact C-N 3.29Å; E135-S137 PolarHBondContact O-N 2.83Å; S137-Q140 PolarHBondContact O-N 3.11Å; S137-R141 VanDerWaalsContact O-CG 3.32Å; S137-R141 WeakPolarHBondContact O-CG 3.49Å; S137-R141 PolarHBondContact O-N 3.49Å; S137-R141 VanDerWaalsContact O-N 3.08Å |
| 138 | W | 95.6 | Very high | 91.7 | Very high | 121 Ų | 121 | 98.2 Ų | 98.2 | 46% | 0.458 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.3 | -40.6 | 178.3 | -62.8 | -22.8 | 0 | 0 | 0 | 111.2 | H98 L134 E135 D136 Q140 R141 L142 | H98-W138 AromaticContact CD2-CH2 3.87Å; H98-W138 AromaticContact NE2-CH2 3.78Å; H98-W138 AromaticContact NE2-CZ3 3.55Å; L134-W138 HydrophobicContact CB-CH2 4.23Å; L134-W138 HydrophobicContact CB-CZ2 4.07Å; L134-W138 VanDerWaalsContact O-CG 3.26Å; L134-W138 PolarHBondContact O-N 2.77Å; E135-W138 HydrophobicContact CG-CE3 4.5Å; E135-W138 HydrophobicContact CG-CZ3 4.41Å; E135-W138 PolarHBondContact O-N 2.98Å; E135-W138 VanDerWaalsContact O-N 3.09Å; D136-W138 VanDerWaalsContact C-N 3.33Å; D136-W138 PolarHBondContact O-N 3.34Å; W138-Q140 VanDerWaalsContact C-N 3.34Å; W138-Q140 PolarHBondContact O-N 3.15Å; W138-R141 PolarHBondContact O-N 2.82Å; W138-L142 WeakPolarHBondContact O-CB 3.43Å; W138-L142 PolarHBondContact O-N 3.31Å |
| 139 | E | 96.2 | Very high | 92.5 | Very high | 95 Ų | 95 | 94.2 Ų | 94.2 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 173 | -73.3 | -162.8 | 177 | 0 | 0 | 112.1 | E135 D136 R141 L142 K143 | E135-E139 WeakPolarHBondContact O-CG 3.17Å; E135-E139 PolarHBondContact O-N 3.45Å; D136-E139 PolarHBondContact O-N 2.95Å; E139-R141 VanDerWaalsContact C-N 3.33Å; E139-R141 PolarHBondContact O-N 3.33Å; E139-L142 PolarHBondContact O-N 2.76Å; E139-K143 WeakPolarHBondContact O-CB 3.48Å; E139-K143 WeakPolarHBondContact O-CD 3.43Å; E139-K143 VanDerWaalsContact O-CG 3.26Å; E139-K143 WeakPolarHBondContact O-CG 3.37Å; E139-K143 PolarHBondContact O-N 3.15Å; E139-K143 IonicContact OE2-NZ 3.09Å; E139-K143 PolarHBondContact OE2-NZ 2.95Å |
| 140 | Q | 96.2 | Very high | 92.8 | Very high | 120 Ų | 120 | 95.4 Ų | 95.4 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 176.4 | -74 | 173.9 | 16.3 | 0 | 0 | 111.1 | D136 S137 W138 L142 K143 N144 | D136-Q140 WeakPolarHBondContact O-CB 3.35Å; D136-Q140 VanDerWaalsContact O-CG 3.25Å; D136-Q140 WeakPolarHBondContact O-CG 3.4Å; D136-Q140 PolarHBondContact O-N 3.16Å; S137-Q140 PolarHBondContact O-N 3.11Å; W138-Q140 VanDerWaalsContact C-N 3.34Å; W138-Q140 PolarHBondContact O-N 3.15Å; Q140-L142 VanDerWaalsContact C-N 3.35Å; Q140-L142 PolarHBondContact O-N 2.99Å; Q140-K143 PolarHBondContact O-N 3Å; Q140-N144 WeakPolarHBondContact O-CB 3.48Å; Q140-N144 PolarHBondContact O-N 3.06Å; Q140-N144 PolarHBondContact O-ND2 3.15Å |
| 141 | R | 95.9 | Very high | 92.6 | Very high | 175 Ų | 175 | 98.2 Ų | 98.2 | 66% | 0.66 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 175.2 | -71 | 174.2 | -168.7 | -175 | 5.7 | 112 | S137 W138 E139 N144 F145 | S137-R141 VanDerWaalsContact O-CG 3.32Å; S137-R141 WeakPolarHBondContact O-CG 3.49Å; S137-R141 PolarHBondContact O-N 3.49Å; S137-R141 VanDerWaalsContact O-N 3.08Å; W138-R141 PolarHBondContact O-N 2.82Å; E139-R141 VanDerWaalsContact C-N 3.33Å; E139-R141 PolarHBondContact O-N 3.33Å; R141-N144 PolarHBondContact O-N 2.92Å; R141-F145 PolarHBondContact O-N 3.15Å; R141-F145 VanDerWaalsContact O-N 3.08Å |
| 142 | L | 94.8 | Very high | 92.2 | Very high | 129 Ų | 129 | 103.3 Ų | 103.3 | 68% | 0.675 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -43.7 | 177.3 | -176.9 | 65.2 | 0 | 0 | 0 | 111.6 | W138 E139 Q140 N144 F145 | W138-L142 WeakPolarHBondContact O-CB 3.43Å; W138-L142 PolarHBondContact O-N 3.31Å; E139-L142 PolarHBondContact O-N 2.76Å; Q140-L142 VanDerWaalsContact C-N 3.35Å; Q140-L142 PolarHBondContact O-N 2.99Å; L142-N144 VanDerWaalsContact C-N 3.29Å; L142-N144 PolarHBondContact O-N 2.67Å; L142-F145 PolarHBondContact O-N 3.14Å |
| 143 | K | 94.8 | Very high | 91.3 | Very high | 143 Ų | 143 | 101.8 Ų | 101.8 | 62% | 0.622 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.8 | -35.9 | 176.8 | -73.8 | 162.3 | -179.2 | 155.9 | 0 | 112 | E139 Q140 | E139-K143 WeakPolarHBondContact O-CB 3.48Å; E139-K143 WeakPolarHBondContact O-CD 3.43Å; E139-K143 VanDerWaalsContact O-CG 3.26Å; E139-K143 WeakPolarHBondContact O-CG 3.37Å; E139-K143 PolarHBondContact O-N 3.15Å; E139-K143 IonicContact OE2-NZ 3.09Å; E139-K143 PolarHBondContact OE2-NZ 2.95Å; Q140-K143 PolarHBondContact O-N 3Å |
| 144 | N | 95.4 | Very high | 90.4 | Very high | 135 Ų | 135 | 105.2 Ų | 105.2 | 72% | 0.722 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -74.2 | -26.6 | 177.2 | -67.7 | -21 | 0 | 0 | 0 | 112.9 | Q140 R141 L142 Q146 | Q140-N144 WeakPolarHBondContact O-CB 3.48Å; Q140-N144 PolarHBondContact O-N 3.06Å; Q140-N144 PolarHBondContact O-ND2 3.15Å; R141-N144 PolarHBondContact O-N 2.92Å; L142-N144 VanDerWaalsContact C-N 3.29Å; L142-N144 PolarHBondContact O-N 2.67Å; N144-Q146 PolarHBondContact O-N 3.36Å |
| 145 | F | 95.9 | Very high | 89.6 | Confident | 140 Ų | 140 | 104.8 Ų | 104.8 | 61% | 0.614 | 53% | 0.528 | S | S | * | . | trans | -84.4 | 111.9 | 180 | -178.9 | -104.3 | 0 | 0 | 0 | 111.3 | R141 L142 P147 | R141-F145 PolarHBondContact O-N 3.15Å; R141-F145 VanDerWaalsContact O-N 3.08Å; L142-F145 PolarHBondContact O-N 3.14Å; F145-P147 HydrophobicContact CE1-CB 4.12Å; F145-P147 WeakPolarHBondContact O-CD 3.42Å | ||
| 146 | Q | 93.4 | Very high | 88.7 | Confident | 173 Ų | 173 | 103.6 Ų | 103.6 | 81% | 0.808 | 52% | 0.523 | S | S | * | . | trans | -93.6 | 109.8 | 173.2 | -66.2 | -176.5 | 5.9 | 0 | 0 | 110 | N144 | N144-Q146 PolarHBondContact O-N 3.36Š| ||
| 147 | P | 90.8 | Very high | 87.9 | Confident | 96 Ų | 96 | 107.8 Ų | 107.8 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 148.2 | 176.2 | 28.3 | -33.9 | 0 | 0 | 0 | 110.6 | F145 | F145-P147 HydrophobicContact CE1-CB 4.12Å; F145-P147 WeakPolarHBondContact O-CD 3.42Å |
| 148 | A | 89.1 | Confident | 87.2 | Confident | 76 Ų | 76 | 110.5 Ų | 110.5 | 63% | 0.628 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 139.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R150 | A148-R150 PolarHBondContact O-N 3.33Š|
| 149 | P | 88.3 | Confident | 86.6 | Confident | 76 Ų | 76 | 107 Ų | 107 | 49% | 0.494 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 133.1 | -179.5 | 25.9 | -33.9 | 0 | 0 | 0 | 110.5 | R152 | P149-R152 HydrophobicContact CG-CG 4.07Š|
| 150 | R | 85.8 | Confident | 85.9 | Confident | 110 Ų | 110 | 105.5 Ų | 105.5 | 42% | 0.415 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -71.3 | -32.2 | 178.6 | -64.5 | 178.3 | 71.5 | -152.6 | -6.7 | 112.5 | I70 T71 D73 A148 | I70-R150 HydrophobicContact CD1-CB 4.05Å; I70-R150 HydrophobicContact CD1-CG 4.16Å; I70-R150 HydrophobicContact CG2-CG 4.4Å; T71-R150 PolarHBondContact O-NH2 2.85Å; D73-R150 IonicContact OD1-CZ 2.67Å; D73-R150 IonicContact OD1-NH1 3.33Å; D73-R150 PolarHBondContact OD1-NH1 2.89Å; D73-R150 IonicContact OD1-NH2 3.98Å; D73-R150 PolarHBondContact OD1-NH2 2.7Å; A148-R150 PolarHBondContact O-N 3.33Å |
| 151 | V | 83.2 | Confident | 85.1 | Confident | 105 Ų | 105 | 100.9 Ų | 100.9 | 64% | 0.636 | 52% | 0.521 | S | S | * | . | trans | -116.6 | 133.8 | 179.9 | -179.1 | 0 | 0 | 0 | 0 | 108 | D156 | V151-D156 VanDerWaalsContact CG1-OD2 3.29Å; V151-D156 WeakPolarHBondContact CG1-OD2 3.46Å | ||
| 152 | R | 80.1 | Confident | 84.4 | Confident | 108 Ų | 108 | 94.2 Ų | 94.2 | 41% | 0.408 | 50% | 0.499 | S | S | . | . | trans | -133.6 | 93 | 178.5 | -68.4 | -179.4 | -174.5 | -175.4 | 1.3 | 107.1 | P149 D154 I155 D156 | P149-R152 HydrophobicContact CG-CG 4.07Å; R152-D154 VanDerWaalsContact C-N 3.27Å; R152-D154 PolarHBondContact O-N 3.42Å; R152-I155 HydrophobicContact CB-CB 4.14Å; R152-I155 HydrophobicContact CB-CD1 4.14Å; R152-I155 HydrophobicContact CB-CG1 4.14Å; R152-I155 PolarHBondContact O-N 3.27Å; R152-D156 PolarHBondContact N-OD2 2.64Å; R152-D156 VanDerWaalsContact N-OD2 3.08Å; R152-D156 WeakPolarHBondContact O-CB 3.02Å; R152-D156 VanDerWaalsContact O-CG 3.24Å; R152-D156 PolarHBondContact O-N 3.23Å | ||
| 153 | A | 72 | Confident | 83.8 | Confident | 61 Ų | 61 | 94 Ų | 94 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -49.9 | -46.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I155 D156 E157 | A153-I155 VanDerWaalsContact C-N 3.31Å; A153-I155 PolarHBondContact O-N 2.85Å; A153-D156 PolarHBondContact O-N 3.15Å; A153-D156 VanDerWaalsContact O-N 3.13Å; A153-E157 PolarHBondContact O-N 2.97Å; A153-E157 VanDerWaalsContact O-N 3.14Å |
| 154 | D | 73.4 | Confident | 83.3 | Confident | 138 Ų | 138 | 87.3 Ų | 87.3 | 74% | 0.738 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -57.7 | -42.5 | 179.4 | -50.8 | -25.1 | 0 | 0 | 0 | 112.4 | R152 | R152-D154 VanDerWaalsContact C-N 3.27Å; R152-D154 PolarHBondContact O-N 3.42Å |
| 155 | I | 75.3 | Confident | 82.7 | Confident | 38 Ų | 38 | 81.7 Ų | 81.7 | 20% | 0.195 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -78.9 | -31.5 | 179.9 | -54.4 | -176.3 | 0 | 0 | 0 | 110.7 | R152 A153 E157 D158 S161 Q163 R164 | R152-I155 HydrophobicContact CB-CB 4.14Å; R152-I155 HydrophobicContact CB-CD1 4.14Å; R152-I155 HydrophobicContact CB-CG1 4.14Å; R152-I155 PolarHBondContact O-N 3.27Å; A153-I155 VanDerWaalsContact C-N 3.31Å; A153-I155 PolarHBondContact O-N 2.85Å; I155-E157 VanDerWaalsContact C-N 3.31Å; I155-E157 PolarHBondContact O-N 3.01Å; I155-D158 WeakPolarHBondContact O-CB 3.22Å; I155-D158 PolarHBondContact O-N 3.31Å; I155-S161 WeakPolarHBondContact CG2-OG 3.17Å; I155-S161 PolarHBondContact O-OG 3.37Å; I155-Q163 HydrophobicContact CG2-CB 4.03Å; I155-R164 HydrophobicContact CG2-CB 4.45Å; I155-R164 WeakPolarHBondContact O-CB 3.16Å |
| 156 | D | 75.1 | Confident | 82.3 | Confident | 33 Ų | 33 | 76.8 Ų | 76.8 | 18% | 0.176 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.4 | -33.7 | -177.3 | -72.7 | -36.1 | 0 | 0 | 0 | 112.4 | V151 R152 A153 R164 C165 | V151-D156 VanDerWaalsContact CG1-OD2 3.29Å; V151-D156 WeakPolarHBondContact CG1-OD2 3.46Å; R152-D156 PolarHBondContact N-OD2 2.64Å; R152-D156 VanDerWaalsContact N-OD2 3.08Å; R152-D156 WeakPolarHBondContact O-CB 3.02Å; R152-D156 VanDerWaalsContact O-CG 3.24Å; R152-D156 PolarHBondContact O-N 3.23Å; A153-D156 PolarHBondContact O-N 3.15Å; A153-D156 VanDerWaalsContact O-N 3.13Å; D156-R164 PolarHBondContact O-NH1 3.08Å; D156-C165 PolarHBondContact OD1-N 2.84Å |
| 157 | E | 78.4 | Confident | 82 | Confident | 161 Ų | 161 | 70.6 Ų | 70.6 | 75% | 0.752 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -73.9 | -26.5 | 173 | -66.3 | -172.9 | 177 | 0 | 0 | 112.8 | A153 I155 L159 | A153-E157 PolarHBondContact O-N 2.97Å; A153-E157 VanDerWaalsContact O-N 3.14Å; I155-E157 VanDerWaalsContact C-N 3.31Å; I155-E157 PolarHBondContact O-N 3.01Å; E157-L159 PolarHBondContact O-N 3.46Å |
| 158 | D | 81.8 | Confident | 81.9 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | trans | -73.5 | 96.3 | 179.9 | -76.8 | -23.7 | 0 | 0 | 0 | 112.4 | I155 T160 S161 R164 | I155-D158 WeakPolarHBondContact O-CB 3.22Å; I155-D158 PolarHBondContact O-N 3.31Å; D158-T160 PolarHBondContact O-N 3.18Å; D158-T160 VanDerWaalsContact O-N 3.15Å; D158-S161 PolarHBondContact O-N 3.05Å; D158-S161 VanDerWaalsContact O-N 3.11Å; D158-S161 PolarHBondContact O-OG 2.72Å; D158-R164 WeakPolarHBondContact O-CD 3.09Å | ||
| 159 | L | 82.2 | Confident | 81.9 | Confident | 46 Ų | 46 | 66.7 Ų | 66.7 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.8 | -179.2 | -57 | 179.9 | 0 | 0 | 0 | 114.8 | E157 L265 W266 L267 Y275 | E157-L159 PolarHBondContact O-N 3.46Å; L159-L265 HydrophobicContact CB-CD2 3.54Å; L159-L265 HydrophobicContact CD1-CD2 4.18Å; L159-W266 PolarHBondContact O-N 3.49Å; L159-L267 HydrophobicContact CD1-CD2 4.45Å; L159-L267 HydrophobicContact CD2-CD2 4.06Å; L159-Y275 VanDerWaalsContact CD1-OH 3.31Å; L159-Y275 WeakPolarHBondContact CD1-OH 3.37Å |
| 160 | T | 81.1 | Confident | 82 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 39% | 0.393 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -17.5 | 178.6 | 57.2 | 0 | 0 | 0 | 0 | 112.2 | D158 | D158-T160 PolarHBondContact O-N 3.18Å; D158-T160 VanDerWaalsContact O-N 3.15Å |
| 161 | S | 80.1 | Confident | 82.2 | Confident | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.161 | 32% | 0.318 | C | S | . | . | trans | -83.5 | 140.6 | -173.5 | 84 | 0 | 0 | 0 | 0 | 112.1 | I155 D158 R164 | I155-S161 WeakPolarHBondContact CG2-OG 3.17Å; I155-S161 PolarHBondContact O-OG 3.37Å; D158-S161 PolarHBondContact O-N 3.05Å; D158-S161 VanDerWaalsContact O-N 3.11Å; D158-S161 PolarHBondContact O-OG 2.72Å; S161-R164 WeakPolarHBondContact O-CD 3.46Å; S161-R164 WeakPolarHBondContact O-CG 3.31Å; S161-R164 WeakPolarHBondContact OG-CB 3.44Å; S161-R164 PolarHBondContact OG-N 3.26Å | ||
| 162 | V | 80.8 | Confident | 82.6 | Confident | 35 Ų | 35 | 53 Ų | 53 | 21% | 0.212 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -78.9 | -25.6 | 173.5 | -178.3 | 0 | 0 | 0 | 0 | 111.2 | R66 R164 L251 W266 | R66-V162 HydrophobicContact CG-CG1 4.11Å; R66-V162 PolarHBondContact NE-O 3.03Å; R66-V162 PolarHBondContact NH2-O 3.26Å; V162-R164 VanDerWaalsContact C-N 3.28Å; V162-R164 PolarHBondContact O-N 2.69Å; V162-L251 HydrophobicContact CG1-CD2 3.62Å; V162-W266 HydrophobicContact CG2-CD2 4.39Å; V162-W266 HydrophobicContact CG2-CZ2 3.88Å |
| 163 | Q | 82.1 | Confident | 83.1 | Confident | 124 Ų | 124 | 47.9 Ų | 47.9 | 58% | 0.579 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -81.9 | -5.6 | -174.2 | -67.8 | -174.7 | -6.6 | 0 | 0 | 113.3 | I155 L166 | I155-Q163 HydrophobicContact CG2-CB 4.03Å; Q163-L166 WeakPolarHBondContact O-CG 3.29Å |
| 164 | R | 84.5 | Confident | 83.9 | Confident | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.011 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -64.3 | 151.2 | 173.2 | 74.3 | -167.7 | -149.6 | 93.3 | 3.1 | 112.4 | R66 I155 D156 D158 S161 V162 L166 L170 W266 E271 | R66-R164 PolarHBondContact NH2-O 3.46Å; I155-R164 HydrophobicContact CG2-CB 4.45Å; I155-R164 WeakPolarHBondContact O-CB 3.16Å; D156-R164 PolarHBondContact O-NH1 3.08Å; D158-R164 WeakPolarHBondContact O-CD 3.09Å; S161-R164 WeakPolarHBondContact O-CD 3.46Å; S161-R164 WeakPolarHBondContact O-CG 3.31Å; S161-R164 WeakPolarHBondContact OG-CB 3.44Å; S161-R164 PolarHBondContact OG-N 3.26Å; V162-R164 VanDerWaalsContact C-N 3.28Å; V162-R164 PolarHBondContact O-N 2.69Å; R164-L166 PolarHBondContact O-N 3.14Å; R164-L170 HydrophobicContact CG-CD1 3.54Å; R164-L170 HydrophobicContact CG-CD2 4.47Å; R164-L170 WeakPolarHBondContact O-CD1 3.16Å; R164-W266 PolarHBondContact NE-O 3.4Å; R164-W266 PolarHBondContact NH2-O 3.32Å; R164-E271 IonicContact CZ-OE2 2.79Å; R164-E271 IonicContact NH1-OE1 2.8Å; R164-E271 IonicContact NH1-OE2 3.14Å; R164-E271 IonicContact NH2-OE1 2.7Å; R164-E271 IonicContact NH2-OE2 3.03Å; R164-E271 PolarHBondContact NH2-OE2 2.88Å |
| 165 | C | 84.3 | Confident | 84.5 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 12% | 0.122 | 23% | 0.226 | C | C | . | . | trans | 46.8 | 61.7 | 167.6 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | R66 D156 A167 D168 L170 K268 | R66-C165 PolarHBondContact NH1-O 3.13Å; D156-C165 PolarHBondContact OD1-N 2.84Å; C165-A167 PolarHBondContact O-N 3.18Å; C165-A167 VanDerWaalsContact O-N 3.15Å; C165-D168 HydrophobicContact CB-CB 4.39Å; C165-D168 PolarHBondContact O-N 3.48Å; C165-L170 HydrophobicContact CB-CD2 4.41Å; C165-K268 VanDerWaalsContact CB-CE 3.44Å; C165-K268 WeakPolarHBondContact SG-CE 3.32Å; C165-K268 PolarHBondContact SG-NZ 2.92Å | ||
| 166 | L | 86.8 | Confident | 84.9 | Confident | 37 Ų | 37 | 41.6 Ų | 41.6 | 19% | 0.194 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.6 | -174.1 | -68.6 | 164.2 | 0 | 0 | 0 | 114.1 | R66 P68 V69 I70 Q163 R164 | R66-L166 VanDerWaalsContact NH2-CD2 3.34Å; P68-L166 CarbonylContact C-O 3.58Å; P68-L166 WeakPolarHBondContact CA-O 3.4Å; V69-L166 HydrophobicContact CB-CB 4.41Å; V69-L166 HydrophobicContact CB-CD2 3.88Å; V69-L166 HydrophobicContact CG1-CD2 4.23Å; V69-L166 HydrophobicContact CG2-CD2 4Å; V69-L166 PolarHBondContact N-O 3.27Å; I70-L166 HydrophobicContact CB-CB 4.2Å; I70-L166 HydrophobicContact CD1-CB 3.55Å; I70-L166 HydrophobicContact CD1-CD1 3.57Å; I70-L166 HydrophobicContact CD1-CG 4.17Å; I70-L166 HydrophobicContact CG1-CB 3.74Å; I70-L166 HydrophobicContact CG1-CD1 4.37Å; I70-L166 PolarHBondContact N-O 3.38Å; I70-L166 VanDerWaalsContact N-O 3.15Å; Q163-L166 WeakPolarHBondContact O-CG 3.29Å; R164-L166 PolarHBondContact O-N 3.14Å |
| 167 | A | 87.1 | Confident | 85.2 | Confident | 43 Ų | 43 | 46.9 Ų | 46.9 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -23.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | P68 C165 | P68-A167 WeakPolarHBondContact CB-O 3.02Å; C165-A167 PolarHBondContact O-N 3.18Å; C165-A167 VanDerWaalsContact O-N 3.15Å |
| 168 | D | 87.9 | Confident | 85.1 | Confident | 69 Ų | 69 | 41.5 Ų | 41.5 | 37% | 0.369 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -102.6 | 153.8 | -174.9 | -69.8 | -43.7 | 0 | 0 | 0 | 111.9 | R66 C165 K268 | R66-D168 PolarHBondContact NH1-O 2.92Å; C165-D168 HydrophobicContact CB-CB 4.39Å; C165-D168 PolarHBondContact O-N 3.48Å; D168-K268 HydrophobicContact CB-CD 4.43Å; D168-K268 WeakPolarHBondContact OD2-CD 3.39Å; D168-K268 WeakPolarHBondContact OD2-CE 3.41Å; D168-K268 IonicContact OD2-NZ 2.98Å; D168-K268 PolarHBondContact OD2-NZ 3.15Å |
| 169 | S | 89.7 | Confident | 84.8 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 15% | 0.147 | 24% | 0.236 | C | C | . | . | trans | -77.4 | 132.1 | 166.7 | 65.8 | 0 | 0 | 0 | 0 | 110.7 | R66 | R66-S169 VanDerWaalsContact O-CA 3.27Å; R66-S169 WeakPolarHBondContact O-CA 3.46Å | ||
| 170 | L | 90 | Very high | 84.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 146.6 | 178.5 | -60.2 | 176.9 | 0 | 0 | 0 | 111.3 | Q65 R66 R164 C165 W266 L267 K268 | Q65-L170 CarbonylContact C-O 3.5Å; Q65-L170 VanDerWaalsContact CA-O 3.3Å; Q65-L170 WeakPolarHBondContact CA-O 3.41Å; R66-L170 HydrophobicContact CB-CB 4.41Å; R66-L170 PolarHBondContact N-O 3.03Å; R66-L170 PolarHBondContact O-N 2.88Å; R164-L170 HydrophobicContact CG-CD1 3.54Å; R164-L170 HydrophobicContact CG-CD2 4.47Å; R164-L170 WeakPolarHBondContact O-CD1 3.16Å; C165-L170 HydrophobicContact CB-CD2 4.41Å; L170-W266 HydrophobicContact CB-CB 4.35Å; L170-W266 HydrophobicContact CB-CE3 3.97Å; L170-W266 HydrophobicContact CD1-CB 4.19Å; L170-L267 WeakPolarHBondContact CA-O 3.46Å; L170-K268 HydrophobicContact CD2-CG 3.89Å |
| 171 | V | 91.3 | Very high | 84.3 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 135.6 | 178.1 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | L64 Q65 L186 W266 L267 I288 | L64-V171 WeakPolarHBondContact O-CA 3.45Å; Q65-V171 HydrophobicContact CG-CG2 4.24Å; V171-L186 HydrophobicContact CG1-CD2 3.94Å; V171-W266 WeakPolarHBondContact O-CA 3.33Å; V171-L267 PolarHBondContact N-O 2.79Å; V171-L267 PolarHBondContact O-N 3.46Å; V171-I288 HydrophobicContact CG1-CD1 4.37Å; V171-I288 HydrophobicContact CG2-CD1 4.05Å; V171-I288 HydrophobicContact CG2-CG2 4.22Å |
| 172 | L | 90.2 | Very high | 84.5 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 126.8 | 176.8 | -174.3 | 67.1 | 0 | 0 | 0 | 111.5 | L64 L186 P187 L205 T209 L264 L265 W266 | L64-L172 HydrophobicContact CB-CB 4.04Å; L64-L172 HydrophobicContact CB-CD2 4.37Å; L64-L172 HydrophobicContact CD2-CD2 3.94Å; L64-L172 PolarHBondContact O-N 3.41Å; L172-L186 WeakPolarHBondContact O-CD2 3.32Å; L172-P187 HydrophobicContact CD2-CG 4.03Å; L172-P187 HydrophobicContact CG-CG 4.38Å; L172-L205 HydrophobicContact CD2-CD1 4.14Å; L172-T209 HydrophobicContact CD2-CG2 4.45Å; L172-L264 HydrophobicContact CD1-CB 4.33Å; L172-L264 HydrophobicContact CD1-CD2 3.76Å; L172-L264 HydrophobicContact CD2-CD2 4.28Å; L172-L264 HydrophobicContact CG-CD2 4.2Å; L172-L265 CarbonylContact C-O 3.55Å; L172-L265 WeakPolarHBondContact CA-O 3.46Å; L172-W266 HydrophobicContact CB-CE3 4.3Å; L172-W266 HydrophobicContact CB-CH2 4.18Å; L172-W266 HydrophobicContact CB-CZ2 4.46Å; L172-W266 HydrophobicContact CB-CZ3 4.09Å; L172-W266 HydrophobicContact CD1-CD2 4.15Å; L172-W266 HydrophobicContact CD1-CH2 4.47Å; L172-W266 HydrophobicContact CD1-CZ2 3.91Å |
| 173 | L | 90.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 145.6 | 163.7 | -68.8 | -168 | 0 | 0 | 0 | 110.3 | W184 L186 L265 L267 L272 L276 | L173-W184 HydrophobicContact CB-CE3 4.32Å; L173-W184 HydrophobicContact CD1-CB 4.28Å; L173-L186 HydrophobicContact CD2-CD2 3.93Å; L173-L186 HydrophobicContact CD2-CG 4.46Å; L173-L265 HydrophobicContact CB-CB 4.42Å; L173-L265 PolarHBondContact N-O 2.86Å; L173-L265 PolarHBondContact O-N 3.05Å; L173-L267 HydrophobicContact CD1-CD1 3.46Å; L173-L267 VanDerWaalsContact CD1-CD1 3.46Å; L173-L267 HydrophobicContact CD1-CG 4.49Å; L173-L267 HydrophobicContact CG-CD1 4.16Å; L173-L272 HydrophobicContact CD1-CD1 3.93Å; L173-L272 HydrophobicContact CD2-CD1 4.01Å; L173-L272 HydrophobicContact CG-CD1 4Å; L173-L276 HydrophobicContact CD1-CD2 4.17Å; L173-L276 HydrophobicContact CD1-CG 4.47Å; L173-L276 HydrophobicContact CD2-CD2 4.09Å |
| 174 | A | 88.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q176 L185 P187 V208 S263 L264 | A174-Q176 HydrophobicContact CB-CG 4.46Å; A174-Q176 PolarHBondContact O-N 2.7Å; A174-L185 PolarHBondContact N-O 3.5Å; A174-L185 PolarHBondContact O-N 2.8Å; A174-P187 HydrophobicContact CB-CG 4.04Å; A174-V208 HydrophobicContact CB-CG1 3.79Å; A174-V208 HydrophobicContact CB-CG2 4.37Å; A174-S263 CarbonylContact C-O 3.6Å; A174-S263 VanDerWaalsContact CA-O 3.25Å; A174-S263 WeakPolarHBondContact CA-O 3.47Å; A174-L264 HydrophobicContact CB-CD2 4.03Å |
| 175 | E | 87.5 | Confident | 85.5 | Confident | 72 Ų | 72 | 49.3 Ų | 49.3 | 34% | 0.336 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 121.4 | 167.8 | -167.6 | -178.2 | -171.3 | 0 | 0 | 108.7 | K182 W184 S263 | E175-K182 HydrophobicContact CG-CB 4.37Å; E175-K182 WeakPolarHBondContact OE1-CB 3.43Å; E175-K182 WeakPolarHBondContact OE1-CD 3.32Å; E175-W184 HydrophobicContact CB-CD2 4.38Å; E175-W184 HydrophobicContact CB-CE3 4.05Å; E175-W184 HydrophobicContact CB-CH2 3.9Å; E175-W184 HydrophobicContact CB-CZ2 4.22Å; E175-W184 HydrophobicContact CB-CZ3 3.81Å; E175-W184 HydrophobicContact CG-CZ2 4.49Å; E175-S263 PolarHBondContact N-O 2.89Å |
| 176 | Q | 84.2 | Confident | 85.8 | Confident | 32 Ų | 32 | 48.5 Ų | 48.5 | 15% | 0.15 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 138.8 | 178.8 | -64.8 | -161.5 | -21.1 | 0 | 0 | 111.1 | A174 V178 L183 Q188 | A174-Q176 HydrophobicContact CB-CG 4.46Å; A174-Q176 PolarHBondContact O-N 2.7Å; Q176-V178 PolarHBondContact O-N 3.09Å; Q176-L183 PolarHBondContact N-O 2.89Å; Q176-L183 PolarHBondContact O-N 2.72Å; Q176-L183 VanDerWaalsContact O-O 3.13Å; Q176-Q188 PolarHBondContact NE2-O 3.48Å; Q176-Q188 VanDerWaalsContact NE2-O 3.16Å |
| 177 | Q | 80.6 | Confident | 86 | Confident | 145 Ų | 145 | 46.7 Ų | 46.7 | 68% | 0.678 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 111.1 | 173.2 | -171.3 | 173.4 | -0.9 | 0 | 0 | 109.5 | G179 | Q177-G179 WeakPolarHBondContact CG-O 3.49Å; Q177-G179 PolarHBondContact NE2-O 3.49Å |
| 178 | V | 76.5 | Confident | 86.2 | Confident | 48 Ų | 48 | 45.5 Ų | 45.5 | 29% | 0.291 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 97.3 | 175.8 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | Q176 A180 E181 L183 L185 | Q176-V178 PolarHBondContact O-N 3.09Å; V178-A180 PolarHBondContact O-N 3.46Å; V178-E181 PolarHBondContact N-O 2.96Å; V178-E181 PolarHBondContact O-N 2.71Å; V178-L183 HydrophobicContact CB-CD1 4.43Å; V178-L185 HydrophobicContact CG2-CD1 3.64Å |
| 179 | G | 74.4 | Confident | 86.4 | Confident | 67 Ų | 67 | 42.7 Ų | 42.7 | 69% | 0.691 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | -119.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q177 | Q177-G179 WeakPolarHBondContact CG-O 3.49Å; Q177-G179 PolarHBondContact NE2-O 3.49Å |
| 180 | A | 71.6 | Confident | 86.5 | Confident | 101 Ų | 101 | 44 Ų | 44 | 84% | 0.835 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -14.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V178 | V178-A180 PolarHBondContact O-N 3.46Š|
| 181 | E | 81.5 | Confident | 86.7 | Confident | 109 Ų | 109 | 48.6 Ų | 48.6 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 137.1 | -177.4 | -68 | 178 | -171.8 | 0 | 0 | 111 | V178 L183 K277 | V178-E181 PolarHBondContact N-O 2.96Å; V178-E181 PolarHBondContact O-N 2.71Å; E181-L183 HydrophobicContact CB-CD2 4.42Å; E181-L183 HydrophobicContact CB-CG 4.2Å; E181-K277 IonicContact OE2-NZ 3.61Å; E181-K277 PolarHBondContact OE2-NZ 2.91Å; E181-K277 VanDerWaalsContact OE2-NZ 3.16Å |
| 182 | K | 84.8 | Confident | 86.7 | Confident | 145 Ų | 145 | 53.5 Ų | 53.5 | 63% | 0.63 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.2 | 165.2 | -62.3 | -171.7 | -177.2 | -177.1 | 0 | 108.6 | E175 | E175-K182 HydrophobicContact CG-CB 4.37Å; E175-K182 WeakPolarHBondContact OE1-CB 3.43Å; E175-K182 WeakPolarHBondContact OE1-CD 3.32Å |
| 183 | L | 87.8 | Confident | 86.7 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.1 | -176.9 | -64.1 | 175.9 | 0 | 0 | 0 | 110.3 | Q176 V178 E181 L185 | Q176-L183 PolarHBondContact N-O 2.89Å; Q176-L183 PolarHBondContact O-N 2.72Å; Q176-L183 VanDerWaalsContact O-O 3.13Å; V178-L183 HydrophobicContact CB-CD1 4.43Å; E181-L183 HydrophobicContact CB-CD2 4.42Å; E181-L183 HydrophobicContact CB-CG 4.2Å; L183-L185 HydrophobicContact CB-CD1 4.34Å; L183-L185 HydrophobicContact CB-CG 4.27Å; L183-L185 PolarHBondContact O-N 3.27Å |
| 184 | W | 89.7 | Confident | 86.6 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 119.3 | 169.3 | -67 | 99.1 | 0 | 0 | 0 | 109.3 | L173 E175 S263 L265 Y275 L276 | L173-W184 HydrophobicContact CB-CE3 4.32Å; L173-W184 HydrophobicContact CD1-CB 4.28Å; E175-W184 HydrophobicContact CB-CD2 4.38Å; E175-W184 HydrophobicContact CB-CE3 4.05Å; E175-W184 HydrophobicContact CB-CH2 3.9Å; E175-W184 HydrophobicContact CB-CZ2 4.22Å; E175-W184 HydrophobicContact CB-CZ3 3.81Å; E175-W184 HydrophobicContact CG-CZ2 4.49Å; W184-S263 WeakPolarHBondContact CZ3-O 3.39Å; W184-L265 HydrophobicContact CD2-CD1 3.87Å; W184-L265 HydrophobicContact CE3-CD1 3.62Å; W184-L265 HydrophobicContact CE3-CG 4.22Å; W184-L265 HydrophobicContact CH2-CD1 3.41Å; W184-L265 VanDerWaalsContact CH2-CD1 3.41Å; W184-L265 HydrophobicContact CH2-CG 3.68Å; W184-L265 HydrophobicContact CZ2-CD1 3.68Å; W184-L265 HydrophobicContact CZ2-CG 4.4Å; W184-L265 HydrophobicContact CZ3-CB 4.25Å; W184-L265 HydrophobicContact CZ3-CD1 3.38Å; W184-L265 HydrophobicContact CZ3-CG 3.57Å; W184-Y275 AromaticContact CD1-CD1 4Å; W184-Y275 HydrophobicContact CG-CD1 4.24Å; W184-L276 WeakPolarHBondContact O-CD2 3.46Å |
| 185 | L | 90.3 | Very high | 86.8 | Confident | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 166.6 | -178.4 | -67.9 | 171.7 | 0 | 0 | 0 | 110 | A174 V178 L183 Y280 | A174-L185 PolarHBondContact N-O 3.5Å; A174-L185 PolarHBondContact O-N 2.8Å; V178-L185 HydrophobicContact CG2-CD1 3.64Å; L183-L185 HydrophobicContact CB-CD1 4.34Å; L183-L185 HydrophobicContact CB-CG 4.27Å; L183-L185 PolarHBondContact O-N 3.27Å; L185-Y280 HydrophobicContact CD2-CD1 4.22Å; L185-Y280 HydrophobicContact CD2-CD2 4.3Å; L185-Y280 HydrophobicContact CD2-CE1 3.94Å; L185-Y280 HydrophobicContact CD2-CE2 4.01Å; L185-Y280 HydrophobicContact CD2-CG 4.38Å |
| 186 | L | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -64.4 | 143.5 | 165.8 | -64.9 | 173.1 | 0 | 0 | 0 | 109.2 | A61 C63 V171 L172 L173 Q188 F246 Y280 V284 F287 | A61-L186 HydrophobicContact CB-CB 4.43Å; C63-L186 HydrophobicContact CB-CD1 4.19Å; C63-L186 HydrophobicContact CB-CD2 4.46Å; V171-L186 HydrophobicContact CG1-CD2 3.94Å; L172-L186 WeakPolarHBondContact O-CD2 3.32Å; L173-L186 HydrophobicContact CD2-CD2 3.93Å; L173-L186 HydrophobicContact CD2-CG 4.46Å; L186-Q188 PolarHBondContact O-N 2.85Å; L186-F246 HydrophobicContact CD1-CD1 3.64Å; L186-F246 HydrophobicContact CD1-CE1 3.82Å; L186-Y280 WeakPolarHBondContact CB-OH 3.33Å; L186-Y280 HydrophobicContact CG-CE1 4.49Å; L186-Y280 PolarHBondContact N-OH 3.08Å; L186-V284 HydrophobicContact CD1-CG1 4.31Å; L186-V284 HydrophobicContact CD1-CG2 4.05Å; L186-F287 HydrophobicContact CD1-CZ 4.3Å | ||
| 187 | P | 91 | Very high | 87.5 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | -50.1 | 114.8 | 173.3 | -27 | 33.1 | 0 | 0 | 0 | 111.1 | A61 V62 L172 A174 V208 | A61-P187 CarbonylContact C-O 3.53Å; A61-P187 VanDerWaalsContact CA-O 3.24Å; A61-P187 WeakPolarHBondContact CA-O 3.5Å; V62-P187 PolarHBondContact N-O 3.36Å; L172-P187 HydrophobicContact CD2-CG 4.03Å; L172-P187 HydrophobicContact CG-CG 4.38Å; A174-P187 HydrophobicContact CB-CG 4.04Å; P187-V208 HydrophobicContact CB-CG2 4.11Å | ||
| 188 | Q | 91.2 | Very high | 88.1 | Confident | 17 Ų | 17 | 63.8 Ų | 63.8 | 8% | 0.079 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.7 | -178.2 | 57.8 | 174.8 | 17.2 | 0 | 0 | 112 | M59 A60 A61 Q176 L186 | M59-Q188 HydrophobicContact CE-CB 4.44Å; M59-Q188 HydrophobicContact CE-CG 4.24Å; A60-Q188 CarbonylContact O-C 3.56Å; A60-Q188 WeakPolarHBondContact O-CA 3.29Å; A61-Q188 HydrophobicContact CB-CB 3.74Å; Q176-Q188 PolarHBondContact NE2-O 3.48Å; Q176-Q188 VanDerWaalsContact NE2-O 3.16Å; L186-Q188 PolarHBondContact O-N 2.85Å |
| 189 | A | 91.6 | Very high | 88.9 | Confident | 11 Ų | 11 | 66 Ų | 66 | 9% | 0.091 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | M59 A60 T200 A204 | M59-A189 WeakPolarHBondContact CA-O 3.49Å; M59-A189 VanDerWaalsContact CE-C 3.48Å; A60-A189 PolarHBondContact N-O 2.79Å; A60-A189 PolarHBondContact O-N 3.24Å; A189-T200 HydrophobicContact CB-CG2 4.2Å; A189-A204 HydrophobicContact CB-CB 3.59Å |
| 190 | A | 92.5 | Very high | 89.8 | Confident | 48 Ų | 48 | 62.8 Ų | 62.8 | 40% | 0.397 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 136.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M59 R203 | M59-A190 HydrophobicContact CE-CB 4.46Å; M59-A190 WeakPolarHBondContact SD-CA 3.49Å; M59-A190 HydrophobicContact SD-CB 3.57Å; M59-A190 VanDerWaalsContact SD-CB 3.57Å; M59-A190 PolarHBondContact SD-N 3.36Å; A190-R203 PolarHBondContact O-NH2 3.08Å |
| 191 | W | 94.3 | Very high | 90.7 | Very high | 96 Ų | 96 | 58 Ų | 58 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | trans | -67.4 | 139.9 | 175 | 177.1 | 74.2 | 0 | 0 | 0 | 110.7 | L58 E193 E195 L197 T200 | L58-W191 HydrophobicContact CB-CB 3.95Å; L58-W191 HydrophobicContact CD1-CD2 4.42Å; L58-W191 HydrophobicContact CD1-CE3 4.17Å; L58-W191 WeakPolarHBondContact O-CB 3.21Å; L58-W191 PolarHBondContact O-N 3.08Å; W191-E193 HydrophobicContact CH2-CG 4.24Å; W191-E193 HydrophobicContact CZ3-CG 4.26Å; W191-E195 PolarHBondContact NE1-O 3.43Å; W191-L197 HydrophobicContact CB-CD2 4.37Å; W191-L197 HydrophobicContact CG-CD2 4.2Å; W191-T200 HydrophobicContact CB-CG2 4.47Å | ||
| 192 | Q | 91.5 | Very high | 91.2 | Very high | 105 Ų | 105 | 55.5 Ų | 55.5 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | trans | -117.5 | 148.9 | 177.7 | -65.8 | 179.2 | 2.9 | 0 | 0 | 109.7 | G194 E195 | Q192-G194 PolarHBondContact O-N 2.98Å; Q192-E195 HydrophobicContact CB-CG 4.49Å; Q192-E195 PolarHBondContact O-N 3.21Å | ||
| 193 | E | 88.4 | Confident | 91.5 | Very high | 132 Ų | 132 | 52.1 Ų | 52.1 | 62% | 0.617 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 130.8 | 179.7 | -60.4 | -169.7 | 178.9 | 0 | 0 | 110.8 | R51 W191 | R51-E193 IonicContact CZ-OE1 3.33Å; R51-E193 IonicContact CZ-OE2 3.72Å; R51-E193 IonicContact NH1-OE1 3.46Å; R51-E193 PolarHBondContact NH1-OE1 3.15Å; R51-E193 IonicContact NH1-OE2 3.86Å; R51-E193 PolarHBondContact NH1-OE2 3.47Å; R51-E193 IonicContact NH2-OE2 2.67Å; R51-E193 PolarHBondContact NH2-OE2 3.18Å; W191-E193 HydrophobicContact CH2-CG 4.24Å; W191-E193 HydrophobicContact CZ3-CG 4.26Å |
| 194 | G | 89.4 | Confident | 91.6 | Very high | 83 Ų | 83 | 50.2 Ų | 50.2 | 86% | 0.856 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.4 | -10.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q192 | Q192-G194 PolarHBondContact O-N 2.98Š|
| 195 | E | 92.3 | Very high | 91.5 | Very high | 51 Ų | 51 | 47.2 Ų | 47.2 | 24% | 0.238 | 25% | 0.25 | C | S | . | . | trans | -94.1 | 150.4 | 172.8 | -62.9 | -176.5 | 162.2 | 0 | 0 | 111.8 | W191 Q192 Q199 T200 R203 | W191-E195 PolarHBondContact NE1-O 3.43Å; Q192-E195 HydrophobicContact CB-CG 4.49Å; Q192-E195 PolarHBondContact O-N 3.21Å; E195-Q199 HydrophobicContact CB-CB 4.47Å; E195-T200 PolarHBondContact OE2-OG1 3.43Å; E195-R203 IonicContact OE1-CZ 2.92Å; E195-R203 IonicContact OE1-NE 3.02Å; E195-R203 PolarHBondContact OE1-NE 3.02Å; E195-R203 VanDerWaalsContact OE1-NE 3.09Å; E195-R203 IonicContact OE1-NH2 3.82Å; E195-R203 IonicContact OE2-CZ 2.69Å; E195-R203 IonicContact OE2-NE 3.79Å; E195-R203 PolarHBondContact OE2-NE 3.45Å; E195-R203 IonicContact OE2-NH2 3.86Å; E195-R203 PolarHBondContact OE2-NH2 3.15Å | ||
| 196 | T | 93.4 | Very high | 91.3 | Very high | 77 Ų | 77 | 51.3 Ų | 51.3 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | trans | -78.6 | 152.9 | 162.1 | 64.1 | 0 | 0 | 0 | 0 | 110.3 | R198 Q199 T200 | T196-R198 PolarHBondContact O-N 2.98Å; T196-R198 VanDerWaalsContact O-N 3.13Å; T196-Q199 WeakPolarHBondContact O-CB 3.22Å; T196-Q199 PolarHBondContact O-N 3.05Å; T196-Q199 WeakPolarHBondContact OG1-CB 3.45Å; T196-Q199 VanDerWaalsContact OG1-CD 3.25Å; T196-Q199 VanDerWaalsContact OG1-CG 3.23Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.36Å; T196-Q199 PolarHBondContact OG1-N 2.78Å; T196-Q199 PolarHBondContact OG1-OE1 3.26Å; T196-Q199 VanDerWaalsContact OG1-OE1 3.06Å; T196-T200 PolarHBondContact O-N 2.82Å; T196-T200 PolarHBondContact O-OG1 3.34Å | ||
| 197 | L | 92.9 | Very high | 91 | Very high | 50 Ų | 50 | 55.4 Ų | 55.4 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.2 | -32.8 | 176.9 | -71.3 | 173.3 | 0 | 0 | 0 | 112.8 | A60 W191 A201 F245 F247 | A60-L197 VanDerWaalsContact CB-O 3.23Å; A60-L197 WeakPolarHBondContact CB-O 3.41Å; W191-L197 HydrophobicContact CB-CD2 4.37Å; W191-L197 HydrophobicContact CG-CD2 4.2Å; L197-A201 PolarHBondContact O-N 3.22Å; L197-A201 VanDerWaalsContact O-N 3.1Å; L197-F245 HydrophobicContact CD1-CD2 4.37Å; L197-F245 HydrophobicContact CD1-CG 4.3Å; L197-F247 HydrophobicContact CB-CE2 3.77Å; L197-F247 HydrophobicContact CB-CZ 3.53Å |
| 198 | R | 93.1 | Very high | 90.4 | Very high | 75 Ų | 75 | 56.7 Ų | 56.7 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66 | -46.6 | 174.2 | 176.8 | -178.3 | 160.4 | 176.3 | -0.3 | 111.8 | T196 T200 A201 E202 F217 N220 F247 | T196-R198 PolarHBondContact O-N 2.98Å; T196-R198 VanDerWaalsContact O-N 3.13Å; R198-T200 VanDerWaalsContact C-N 3.29Å; R198-T200 PolarHBondContact O-N 2.96Å; R198-A201 CarbonylContact O-C 3.57Å; R198-A201 WeakPolarHBondContact O-CA 3.43Å; R198-A201 VanDerWaalsContact O-CB 3.24Å; R198-A201 WeakPolarHBondContact O-CB 3.39Å; R198-A201 PolarHBondContact O-N 2.86Å; R198-E202 IonicContact CZ-OE1 2.72Å; R198-E202 IonicContact NE-OE1 2.88Å; R198-E202 PolarHBondContact NE-OE1 2.74Å; R198-E202 IonicContact NH2-OE1 3.93Å; R198-E202 PolarHBondContact NH2-OE1 3.28Å; R198-E202 PolarHBondContact O-N 3.01Å; R198-F217 HydrophobicContact CG-CD1 4.41Å; R198-N220 WeakPolarHBondContact CD-OD1 3.28Å; R198-N220 PolarHBondContact NH1-OD1 3.23Å; R198-F247 HydrophobicContact CB-CE1 4.45Å |
| 199 | Q | 92.9 | Very high | 89.5 | Confident | 93 Ų | 93 | 56.5 Ų | 56.5 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62 | -38.1 | 177 | -75 | 163.2 | -25.2 | 0 | 0 | 111.6 | E195 T196 A201 E202 R203 | E195-Q199 HydrophobicContact CB-CB 4.47Å; T196-Q199 WeakPolarHBondContact O-CB 3.22Å; T196-Q199 PolarHBondContact O-N 3.05Å; T196-Q199 WeakPolarHBondContact OG1-CB 3.45Å; T196-Q199 VanDerWaalsContact OG1-CD 3.25Å; T196-Q199 VanDerWaalsContact OG1-CG 3.23Å; T196-Q199 WeakPolarHBondContact OG1-CG 3.36Å; T196-Q199 PolarHBondContact OG1-N 2.78Å; T196-Q199 PolarHBondContact OG1-OE1 3.26Å; T196-Q199 VanDerWaalsContact OG1-OE1 3.06Å; Q199-A201 VanDerWaalsContact C-N 3.25Å; Q199-A201 PolarHBondContact O-N 2.98Å; Q199-E202 WeakPolarHBondContact O-CB 3.49Å; Q199-E202 PolarHBondContact O-N 3.29Å; Q199-R203 WeakPolarHBondContact O-CB 3.3Å; Q199-R203 PolarHBondContact O-N 2.95Å |
| 200 | T | 93.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60 | -38.1 | 171.5 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | A60 A189 W191 E195 T196 R198 R203 A204 | A60-T200 HydrophobicContact CB-CG2 3.75Å; A189-T200 HydrophobicContact CB-CG2 4.2Å; W191-T200 HydrophobicContact CB-CG2 4.47Å; E195-T200 PolarHBondContact OE2-OG1 3.43Å; T196-T200 PolarHBondContact O-N 2.82Å; T196-T200 PolarHBondContact O-OG1 3.34Å; R198-T200 VanDerWaalsContact C-N 3.29Å; R198-T200 PolarHBondContact O-N 2.96Å; T200-R203 PolarHBondContact O-N 3.22Å; T200-A204 WeakPolarHBondContact O-CB 3.45Å; T200-A204 PolarHBondContact O-N 3.23Å |
| 201 | A | 92.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.2 | -44.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A60 V62 L197 R198 Q199 R203 A204 L205 F217 F247 | A60-A201 HydrophobicContact CB-CB 4.09Å; V62-A201 VanDerWaalsContact CG2-C 3.42Å; V62-A201 HydrophobicContact CG2-CB 3.36Å; V62-A201 WeakPolarHBondContact CG2-O 3.25Å; L197-A201 PolarHBondContact O-N 3.22Å; L197-A201 VanDerWaalsContact O-N 3.1Å; R198-A201 CarbonylContact O-C 3.57Å; R198-A201 WeakPolarHBondContact O-CA 3.43Å; R198-A201 VanDerWaalsContact O-CB 3.24Å; R198-A201 WeakPolarHBondContact O-CB 3.39Å; R198-A201 PolarHBondContact O-N 2.86Å; Q199-A201 VanDerWaalsContact C-N 3.25Å; Q199-A201 PolarHBondContact O-N 2.98Å; A201-R203 VanDerWaalsContact C-N 3.3Å; A201-R203 PolarHBondContact O-N 3.47Å; A201-A204 WeakPolarHBondContact O-CB 3.25Å; A201-A204 PolarHBondContact O-N 3.08Å; A201-A204 VanDerWaalsContact O-N 3.11Å; A201-L205 PolarHBondContact O-N 2.98Å; A201-F217 HydrophobicContact CB-CE1 4.13Å; A201-F247 HydrophobicContact CB-CB 4.23Å; A201-F247 HydrophobicContact CB-CD2 3.78Å; A201-F247 HydrophobicContact CB-CG 4.2Å |
| 202 | E | 90.8 | Very high | 84.4 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 27% | 0.271 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.2 | -44.1 | 172.3 | -74.8 | 167.6 | -172.6 | 0 | 0 | 111.4 | R198 Q199 L205 N206 F217 | R198-E202 IonicContact CZ-OE1 2.72Å; R198-E202 IonicContact NE-OE1 2.88Å; R198-E202 PolarHBondContact NE-OE1 2.74Å; R198-E202 IonicContact NH2-OE1 3.93Å; R198-E202 PolarHBondContact NH2-OE1 3.28Å; R198-E202 PolarHBondContact O-N 3.01Å; Q199-E202 WeakPolarHBondContact O-CB 3.49Å; Q199-E202 PolarHBondContact O-N 3.29Å; E202-L205 PolarHBondContact O-N 2.99Å; E202-N206 VanDerWaalsContact O-CG 3.25Å; E202-N206 PolarHBondContact O-N 2.59Å; E202-N206 PolarHBondContact O-ND2 3.46Å; E202-F217 HydrophobicContact CB-CE2 4.27Å; E202-F217 HydrophobicContact CB-CZ 4.35Å; E202-F217 HydrophobicContact CG-CD2 3.68Å; E202-F217 HydrophobicContact CG-CE1 4.29Å; E202-F217 HydrophobicContact CG-CE2 3.24Å; E202-F217 HydrophobicContact CG-CG 4.4Å; E202-F217 HydrophobicContact CG-CZ 3.57Å |
| 203 | R | 90.8 | Very high | 83.4 | Confident | 73 Ų | 73 | 55.1 Ų | 55.1 | 28% | 0.275 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 173.7 | -179.2 | 169.8 | 56.8 | 75.9 | -0.2 | 112.4 | A190 E195 Q199 T200 A201 L205 N206 S207 | A190-R203 PolarHBondContact O-NH2 3.08Å; E195-R203 IonicContact OE1-CZ 2.92Å; E195-R203 IonicContact OE1-NE 3.02Å; E195-R203 PolarHBondContact OE1-NE 3.02Å; E195-R203 VanDerWaalsContact OE1-NE 3.09Å; E195-R203 IonicContact OE1-NH2 3.82Å; E195-R203 IonicContact OE2-CZ 2.69Å; E195-R203 IonicContact OE2-NE 3.79Å; E195-R203 PolarHBondContact OE2-NE 3.45Å; E195-R203 IonicContact OE2-NH2 3.86Å; E195-R203 PolarHBondContact OE2-NH2 3.15Å; Q199-R203 WeakPolarHBondContact O-CB 3.3Å; Q199-R203 PolarHBondContact O-N 2.95Å; T200-R203 PolarHBondContact O-N 3.22Å; A201-R203 VanDerWaalsContact C-N 3.3Å; A201-R203 PolarHBondContact O-N 3.47Å; R203-L205 VanDerWaalsContact C-N 3.3Å; R203-L205 PolarHBondContact O-N 3.24Å; R203-N206 PolarHBondContact O-N 3.13Å; R203-S207 WeakPolarHBondContact O-CB 3.35Å; R203-S207 PolarHBondContact O-N 3.03Å |
| 204 | A | 89.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111 | A189 T200 A201 S207 V208 | A189-A204 HydrophobicContact CB-CB 3.59Å; T200-A204 WeakPolarHBondContact O-CB 3.45Å; T200-A204 PolarHBondContact O-N 3.23Å; A201-A204 WeakPolarHBondContact O-CB 3.25Å; A201-A204 PolarHBondContact O-N 3.08Å; A201-A204 VanDerWaalsContact O-N 3.11Å; A204-S207 PolarHBondContact O-N 2.87Å; A204-S207 PolarHBondContact O-OG 3.36Å; A204-V208 WeakPolarHBondContact O-CG2 3.47Å; A204-V208 PolarHBondContact O-N 2.94Å |
| 205 | L | 87.9 | Confident | 82.9 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 178.2 | -176.8 | 66.8 | 0 | 0 | 0 | 111.7 | V62 L64 L172 A201 E202 R203 S207 V208 T209 A215 | V62-L205 HydrophobicContact CG2-CB 4.47Å; L64-L205 HydrophobicContact CD2-CD1 3.93Å; L172-L205 HydrophobicContact CD2-CD1 4.14Å; A201-L205 PolarHBondContact O-N 2.98Å; E202-L205 PolarHBondContact O-N 2.99Å; R203-L205 VanDerWaalsContact C-N 3.3Å; R203-L205 PolarHBondContact O-N 3.24Å; L205-S207 VanDerWaalsContact C-N 3.26Å; L205-S207 PolarHBondContact O-N 3.41Å; L205-V208 PolarHBondContact O-N 2.81Å; L205-T209 HydrophobicContact CD1-CG2 4.25Å; L205-T209 PolarHBondContact O-N 3.34Å; L205-T209 PolarHBondContact O-OG1 3.16Å; L205-A215 HydrophobicContact CD2-CB 3.36Å |
| 206 | N | 87.2 | Confident | 82.8 | Confident | 106 Ų | 106 | 54.8 Ų | 54.8 | 57% | 0.567 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.1 | -30.8 | 179 | -66.9 | -20.9 | 0 | 0 | 0 | 112.7 | E202 R203 V208 | E202-N206 VanDerWaalsContact O-CG 3.25Å; E202-N206 PolarHBondContact O-N 2.59Å; E202-N206 PolarHBondContact O-ND2 3.46Å; R203-N206 PolarHBondContact O-N 3.13Å; N206-V208 VanDerWaalsContact C-N 3.32Å |
| 207 | S | 84.3 | Confident | 82.8 | Confident | 86 Ų | 86 | 52.4 Ų | 52.4 | 60% | 0.601 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -70.6 | -30.2 | 177.4 | 72.7 | 0 | 0 | 0 | 0 | 113 | R203 A204 L205 | R203-S207 WeakPolarHBondContact O-CB 3.35Å; R203-S207 PolarHBondContact O-N 3.03Å; A204-S207 PolarHBondContact O-N 2.87Å; A204-S207 PolarHBondContact O-OG 3.36Å; L205-S207 VanDerWaalsContact C-N 3.26Å; L205-S207 PolarHBondContact O-N 3.41Å |
| 208 | V | 78 | Confident | 82.6 | Confident | 27 Ų | 27 | 55 Ų | 55 | 16% | 0.164 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -90.2 | -34.8 | -177.8 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | A174 P187 A204 L205 N206 L264 | A174-V208 HydrophobicContact CB-CG1 3.79Å; A174-V208 HydrophobicContact CB-CG2 4.37Å; P187-V208 HydrophobicContact CB-CG2 4.11Å; A204-V208 WeakPolarHBondContact O-CG2 3.47Å; A204-V208 PolarHBondContact O-N 2.94Å; L205-V208 PolarHBondContact O-N 2.81Å; N206-V208 VanDerWaalsContact C-N 3.32Å; V208-L264 HydrophobicContact CG1-CD1 4.37Å; V208-L264 HydrophobicContact CG1-CD2 3.21Å; V208-L264 HydrophobicContact CG1-CG 4.13Å |
| 209 | T | 72.3 | Confident | 82.5 | Confident | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.08 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -99.8 | 97.1 | -179.6 | 52.9 | 0 | 0 | 0 | 0 | 109.4 | L172 L205 A211 V213 L264 | L172-T209 HydrophobicContact CD2-CG2 4.45Å; L205-T209 HydrophobicContact CD1-CG2 4.25Å; L205-T209 PolarHBondContact O-N 3.34Å; L205-T209 PolarHBondContact O-OG1 3.16Å; T209-A211 PolarHBondContact O-N 3.37Å; T209-V213 HydrophobicContact CG2-CB 4.1Å; T209-V213 HydrophobicContact CG2-CG2 3.75Å; T209-L264 HydrophobicContact CG2-CD1 4.34Å |
| 210 | A | 54.9 | Low | 82.5 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 69% | 0.686 | 33% | 0.33 | S | S | * | . | trans | -58.2 | -19.6 | -164.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 211 | A | 54.9 | Low | 82.5 | Confident | 66 Ų | 66 | 57.6 Ų | 57.6 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -172.8 | 135.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | T209 S258 | T209-A211 PolarHBondContact O-N 3.37Å; A211-S258 WeakPolarHBondContact O-CB 3.25Å |
| 212 | G | 61.4 | Low | 82.6 | Confident | 55 Ų | 55 | 60.2 Ų | 60.2 | 57% | 0.567 | 38% | 0.375 | S | S | * | . | trans | 107.9 | -18.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117 | K214 T255 | G212-K214 PolarHBondContact O-N 2.91Å; G212-T255 WeakPolarHBondContact O-CG2 3.24Å | ||
| 213 | V | 71.5 | Confident | 82.6 | Confident | 28 Ų | 28 | 60.3 Ų | 60.3 | 17% | 0.17 | 38% | 0.382 | C | S | . | . | trans | -64.6 | 105.4 | -178.4 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | L64 T209 A215 L251 | L64-V213 HydrophobicContact CD2-CG1 3.96Å; T209-V213 HydrophobicContact CG2-CB 4.1Å; T209-V213 HydrophobicContact CG2-CG2 3.75Å; V213-A215 PolarHBondContact O-N 3.47Å; V213-L251 HydrophobicContact CG1-CD1 3.42Å; V213-L251 VanDerWaalsContact CG1-CD1 3.42Å | ||
| 214 | K | 81.8 | Confident | 82.6 | Confident | 156 Ų | 156 | 57.8 Ų | 57.8 | 68% | 0.678 | 38% | 0.378 | S | S | * | . | trans | -81.2 | 112.7 | 176.4 | -71.7 | -179.7 | -178.6 | 175.7 | 0 | 108.9 | G212 A252 | G212-K214 PolarHBondContact O-N 2.91Å; K214-A252 HydrophobicContact CB-CB 4.04Å; K214-A252 WeakPolarHBondContact O-CB 3.36Å; K214-A252 PolarHBondContact O-N 3.28Å | ||
| 215 | A | 86.1 | Confident | 82.8 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | L64 L205 V213 F217 A249 I250 | L64-A215 HydrophobicContact CD1-CB 3.58Å; L205-A215 HydrophobicContact CD2-CB 3.36Å; V213-A215 PolarHBondContact O-N 3.47Å; A215-F217 HydrophobicContact CB-CE2 4.38Å; A215-A249 HydrophobicContact CB-CB 4.24Å; A215-I250 CarbonylContact C-O 3.39Å; A215-I250 WeakPolarHBondContact CA-O 3.48Å |
| 216 | T | 90.6 | Very high | 83 | Confident | 76 Ų | 76 | 62.1 Ų | 62.1 | 47% | 0.466 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 113.2 | 174 | 55.4 | 0 | 0 | 0 | 0 | 109.2 | A249 I250 A252 | T216-A249 CarbonylContact O-C 3.31Å; T216-A249 VanDerWaalsContact O-CA 3.31Å; T216-A249 WeakPolarHBondContact O-CA 3.26Å; T216-I250 PolarHBondContact N-O 2.86Å; T216-I250 PolarHBondContact O-N 3.34Å; T216-I250 PolarHBondContact OG1-O 3.31Å; T216-A252 HydrophobicContact CG2-CB 4.45Å |
| 217 | F | 92.1 | Very high | 83.2 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 12% | 0.118 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 130.5 | 176.1 | -76.5 | -96.8 | 0 | 0 | 0 | 110.1 | V62 R198 A201 E202 A215 G219 F247 A249 | V62-F217 HydrophobicContact CG1-CE1 4.03Å; V62-F217 HydrophobicContact CG1-CZ 4.06Å; V62-F217 HydrophobicContact CG2-CE1 3.86Å; V62-F217 HydrophobicContact CG2-CZ 3.89Å; R198-F217 HydrophobicContact CG-CD1 4.41Å; A201-F217 HydrophobicContact CB-CE1 4.13Å; E202-F217 HydrophobicContact CB-CE2 4.27Å; E202-F217 HydrophobicContact CB-CZ 4.35Å; E202-F217 HydrophobicContact CG-CD2 3.68Å; E202-F217 HydrophobicContact CG-CE1 4.29Å; E202-F217 HydrophobicContact CG-CE2 3.24Å; E202-F217 HydrophobicContact CG-CG 4.4Å; E202-F217 HydrophobicContact CG-CZ 3.57Å; A215-F217 HydrophobicContact CB-CE2 4.38Å; F217-G219 VanDerWaalsContact C-N 3.34Å; F217-G219 PolarHBondContact O-N 2.88Å; F217-F247 HydrophobicContact CD1-CB 4.35Å; F217-F247 HydrophobicContact CE1-CB 4.28Å; F217-A249 HydrophobicContact CD1-CB 3.99Å; F217-A249 HydrophobicContact CD2-CB 4.32Å; F217-A249 HydrophobicContact CE1-CB 3.95Å; F217-A249 HydrophobicContact CE2-CB 4.25Å; F217-A249 HydrophobicContact CG-CB 4.18Å; F217-A249 HydrophobicContact CZ-CB 4.09Å |
| 218 | L | 90.1 | Very high | 83.4 | Confident | 104 Ų | 104 | 62.1 Ų | 62.1 | 55% | 0.545 | 38% | 0.384 | S | S | . | . | trans | -77.4 | -18.3 | -174 | -67.4 | -178.3 | 0 | 0 | 0 | 114.1 | K248 I250 | L218-K248 HydrophobicContact CD1-CB 4.33Å; L218-K248 HydrophobicContact CD1-CD 3.62Å; L218-K248 HydrophobicContact CD1-CG 3.71Å; L218-K248 PolarHBondContact N-O 3.24Å; L218-I250 HydrophobicContact CD1-CD1 4.02Å; L218-I250 HydrophobicContact CD1-CG1 4.22Å; L218-I250 HydrophobicContact CD2-CD1 3.66Å; L218-I250 HydrophobicContact CD2-CG1 4.19Å; L218-I250 HydrophobicContact CG-CD1 4.16Å; L218-I250 HydrophobicContact CG-CG1 4.26Å | ||
| 219 | G | 90.8 | Very high | 83.9 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 33% | 0.33 | 40% | 0.403 | S | S | . | . | trans | 177.9 | 176.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F217 | F217-G219 VanDerWaalsContact C-N 3.34Å; F217-G219 PolarHBondContact O-N 2.88Å | ||
| 220 | N | 92.8 | Very high | 84.3 | Confident | 117 Ų | 117 | 68.5 Ų | 68.5 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -93.1 | -5.4 | 180 | -64.4 | -8 | 0 | 0 | 0 | 113.1 | R198 F247 | R198-N220 WeakPolarHBondContact CD-OD1 3.28Å; R198-N220 PolarHBondContact NH1-OD1 3.23Å; N220-F247 WeakPolarHBondContact O-CE1 3.4Å |
| 221 | A | 92.9 | Very high | 85.5 | Confident | 73 Ų | 73 | 68.9 Ų | 68.9 | 60% | 0.603 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -90.5 | 136.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 222 | P | 93.3 | Very high | 86.3 | Confident | 55 Ų | 55 | 74.3 Ų | 74.3 | 36% | 0.357 | 42% | 0.417 | S | S | . | . | trans | -70.3 | 139.4 | 174.1 | 29.7 | -33.9 | 0 | 0 | 0 | 110.7 | F245 F246 F247 | P222-F245 HydrophobicContact CB-CB 4.07Å; P222-F245 HydrophobicContact CB-CD1 4.11Å; P222-F245 HydrophobicContact CG-CD1 3.98Å; P222-F246 CarbonylContact C-O 3.54Å; P222-F246 WeakPolarHBondContact CA-O 3.3Å; P222-F247 HydrophobicContact CB-CE1 4.16Å; P222-F247 HydrophobicContact CB-CE2 4.46Å; P222-F247 HydrophobicContact CB-CZ 4.04Å | ||
| 223 | C | 91 | Very high | 86.7 | Confident | 60 Ų | 60 | 76.9 Ų | 76.9 | 41% | 0.405 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -80 | -19.3 | 178.8 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | F246 K248 F287 | C223-F246 PolarHBondContact N-O 3.31Å; C223-K248 WeakPolarHBondContact SG-CB 3.45Å; C223-F287 HydrophobicContact CB-CB 4.13Å; C223-F287 HydrophobicContact CB-CD2 4.4Å; C223-F287 HydrophobicContact CB-CG 4.14Å |
| 224 | G | 91.5 | Very high | 86.5 | Confident | 20 Ų | 20 | 78.2 Ų | 78.2 | 21% | 0.206 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 165.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F246 | G224-F246 WeakPolarHBondContact O-CD2 3.48Å; G224-F246 PolarHBondContact O-N 2.87Å |
| 225 | V | 93.2 | Very high | 86.1 | Confident | 51 Ų | 51 | 75.9 Ų | 75.9 | 31% | 0.309 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 128.4 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | K227 V244 F245 | V225-K227 HydrophobicContact CG1-CG 3.93Å; V225-V244 CarbonylContact C-O 3.59Å; V225-V244 VanDerWaalsContact CA-O 3.31Å; V225-V244 WeakPolarHBondContact CA-O 3.4Å; V225-F245 HydrophobicContact CG1-CD1 4.38Å; V225-F245 HydrophobicContact CG1-CE1 4.19Å; V225-F245 HydrophobicContact CG1-CZ 4.47Å; V225-F245 HydrophobicContact CG2-CD1 3.5Å; V225-F245 VanDerWaalsContact CG2-CD1 3.5Å; V225-F245 HydrophobicContact CG2-CE1 3.61Å; V225-F245 HydrophobicContact CG2-CG 4.45Å |
| 226 | Y | 92.2 | Very high | 85.6 | Confident | 43 Ų | 43 | 78.9 Ų | 78.9 | 17% | 0.169 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 128.2 | 169.1 | -179.7 | -117.2 | 0 | 0 | 0 | 110 | Y228 K243 V244 Y280 N283 | Y226-Y228 AromaticContact CD1-CD1 3.62Å; Y226-Y228 HydrophobicContact CD1-CD1 3.62Å; Y226-Y228 HydrophobicContact CD1-CE1 4.26Å; Y226-Y228 AromaticContact CE1-CD1 3.37Å; Y226-Y228 HydrophobicContact CE1-CD1 3.37Å; Y226-Y228 HydrophobicContact CE1-CE1 4.16Å; Y226-Y228 AromaticContact CE1-CG 3.95Å; Y226-Y228 HydrophobicContact CE1-CG 3.95Å; Y226-K243 WeakPolarHBondContact O-CA 3.45Å; Y226-V244 PolarHBondContact N-O 2.99Å; Y226-V244 PolarHBondContact O-N 2.91Å; Y226-Y280 AromaticContact CD1-CD2 3.61Å; Y226-Y280 HydrophobicContact CD1-CD2 3.61Å; Y226-Y280 HydrophobicContact CD1-CE2 4.05Å; Y226-Y280 HydrophobicContact CD2-CD2 4.4Å; Y226-Y280 AromaticContact CE1-CD2 3.76Å; Y226-Y280 HydrophobicContact CE1-CD2 3.76Å; Y226-Y280 AromaticContact CG-CD2 3.94Å; Y226-Y280 HydrophobicContact CG-CD2 3.94Å; Y226-Y280 HydrophobicContact CG-CE2 4.43Å; Y226-N283 HydrophobicContact CD2-CB 4.48Å; Y226-N283 VanDerWaalsContact CD2-ND2 3.29Å; Y226-N283 WeakPolarHBondContact CD2-ND2 3.24Å |
| 227 | K | 91.9 | Very high | 84.5 | Confident | 135 Ų | 135 | 83.9 Ų | 83.9 | 59% | 0.587 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125 | -179.6 | -52.5 | -178.2 | -176.6 | 166.5 | 0 | 108.3 | V225 K243 | V225-K227 HydrophobicContact CG1-CG 3.93Å; K227-K243 HydrophobicContact CD-CG 4.47Å; K227-K243 HydrophobicContact CG-CG 4.09Å |
| 228 | Y | 88.9 | Confident | 83.4 | Confident | 56 Ų | 56 | 88.4 Ų | 88.4 | 22% | 0.22 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 147.7 | 173.4 | 68.3 | -84.9 | 0 | 0 | 0 | 110.9 | Y226 L230 G241 V242 V244 | Y226-Y228 AromaticContact CD1-CD1 3.62Å; Y226-Y228 HydrophobicContact CD1-CD1 3.62Å; Y226-Y228 HydrophobicContact CD1-CE1 4.26Å; Y226-Y228 AromaticContact CE1-CD1 3.37Å; Y226-Y228 HydrophobicContact CE1-CD1 3.37Å; Y226-Y228 HydrophobicContact CE1-CE1 4.16Å; Y226-Y228 AromaticContact CE1-CG 3.95Å; Y226-Y228 HydrophobicContact CE1-CG 3.95Å; Y228-L230 HydrophobicContact CE2-CD2 4.49Å; Y228-G241 WeakPolarHBondContact O-CA 3.35Å; Y228-V242 HydrophobicContact CD1-CB 4.26Å; Y228-V242 HydrophobicContact CE1-CB 3.65Å; Y228-V242 HydrophobicContact CE1-CG1 3.95Å; Y228-V242 HydrophobicContact CE1-CG2 4.42Å; Y228-V242 HydrophobicContact CE2-CB 4.13Å; Y228-V242 HydrophobicContact CE2-CG2 4.12Å; Y228-V242 PolarHBondContact N-O 3.29Å; Y228-V242 VanDerWaalsContact N-O 3.08Å; Y228-V242 PolarHBondContact O-N 2.94Å; Y228-V244 HydrophobicContact CE1-CG2 3.97Å |
| 229 | K | 87.1 | Confident | 82.6 | Confident | 133 Ų | 133 | 85 Ų | 85 | 58% | 0.578 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 140.2 | 175.9 | -62.6 | -178.4 | -178.9 | 179.9 | 0 | 108.5 | W56 | W56-K229 HydrophobicContact CH2-CG 4.04Å |
| 230 | L | 82.1 | Confident | 82.3 | Confident | 41 Ų | 41 | 85.6 Ų | 85.6 | 22% | 0.215 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 155 | 174.9 | -71.5 | 156.7 | 0 | 0 | 0 | 109.9 | Y228 R235 V240 | Y228-L230 HydrophobicContact CE2-CD2 4.49Å; L230-R235 HydrophobicContact CB-CG 4.35Å; L230-R235 VanDerWaalsContact O-CZ 3.23Å; L230-R235 PolarHBondContact O-NE 3.46Å; L230-R235 PolarHBondContact O-NH2 3.42Å; L230-V240 PolarHBondContact N-O 3.03Å |
| 231 | P | 79.9 | Confident | 82 | Confident | 92 Ų | 92 | 80 Ų | 80 | 60% | 0.597 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 147.3 | 171.6 | -22.9 | 33.4 | 0 | 0 | 0 | 111 | A233 A234 R235 | P231-A233 PolarHBondContact O-N 3.35Å; P231-A234 PolarHBondContact O-N 3.41Å; P231-R235 PolarHBondContact O-N 3.31Å |
| 232 | K | 71.7 | Confident | 81.9 | Confident | 179 Ų | 179 | 77 Ų | 77 | 78% | 0.778 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -53.1 | -32.7 | -174.6 | -68.3 | -178 | -179.8 | 179.3 | 0 | 113.2 | A234 R235 | K232-A234 VanDerWaalsContact C-N 3.29Å; K232-A234 PolarHBondContact O-N 2.85Å; K232-R235 PolarHBondContact O-N 2.99Å |
| 233 | A | 68.8 | Low | 81.9 | Confident | 109 Ų | 109 | 77 Ų | 77 | 90% | 0.901 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -65.9 | -25.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P231 | P231-A233 PolarHBondContact O-N 3.35Š|
| 234 | A | 68.3 | Low | 82 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 47% | 0.471 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -107.5 | 6.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P231 K232 | P231-A234 PolarHBondContact O-N 3.41Å; K232-A234 VanDerWaalsContact C-N 3.29Å; K232-A234 PolarHBondContact O-N 2.85Å |
| 235 | R | 73.8 | Confident | 82.2 | Confident | 106 Ų | 106 | 75 Ų | 75 | 40% | 0.4 | 39% | 0.392 | S | S | . | . | trans | -82.1 | 122.2 | 179.7 | -72.1 | -177.5 | -169.6 | 165.4 | 6.8 | 110.2 | L230 P231 K232 | L230-R235 HydrophobicContact CB-CG 4.35Å; L230-R235 VanDerWaalsContact O-CZ 3.23Å; L230-R235 PolarHBondContact O-NE 3.46Å; L230-R235 PolarHBondContact O-NH2 3.42Å; P231-R235 PolarHBondContact O-N 3.31Å; K232-R235 PolarHBondContact O-N 2.99Å | ||
| 236 | T | 73.5 | Confident | 82.3 | Confident | 90 Ų | 90 | 72.6 Ų | 72.6 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | B | Isolated β-bridge | trans | -108.9 | 161.5 | 161.9 | 23.4 | 0 | 0 | 0 | 0 | 109.4 | N238 S239 | T236-N238 PolarHBondContact O-N 3.21Å; T236-N238 VanDerWaalsContact O-N 3.12Å; T236-S239 CarbonylContact O-C 3.55Å; T236-S239 VanDerWaalsContact O-C 3.31Å; T236-S239 PolarHBondContact O-N 3.45Å; T236-S239 PolarHBondContact OG1-OG 2.97Å |
| 237 | E | 69.5 | Low | 82.4 | Confident | 181 Ų | 181 | 70.6 Ų | 70.6 | 85% | 0.846 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -32.2 | 176.7 | -63.6 | -176.2 | 173.4 | 0 | 0 | 111.9 | ||
| 238 | N | 68.4 | Low | 82.4 | Confident | 122 Ų | 122 | 66.2 Ų | 66.2 | 65% | 0.652 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -7.2 | 178.3 | -62.7 | -16.2 | 0 | 0 | 0 | 114.1 | T236 | T236-N238 PolarHBondContact O-N 3.21Å; T236-N238 VanDerWaalsContact O-N 3.12Å |
| 239 | S | 73 | Confident | 82.6 | Confident | 33 Ų | 33 | 63.5 Ų | 63.5 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -142.8 | 78.9 | -179.5 | 72.9 | 0 | 0 | 0 | 0 | 112.8 | P55 T236 | P55-S239 CarbonylContact O-C 3.59Å; T236-S239 CarbonylContact O-C 3.55Å; T236-S239 VanDerWaalsContact O-C 3.31Å; T236-S239 PolarHBondContact O-N 3.45Å; T236-S239 PolarHBondContact OG1-OG 2.97Å |
| 240 | V | 84.8 | Confident | 82.8 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -75.6 | -35.8 | 177.4 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | P55 W56 L230 | P55-V240 HydrophobicContact CB-CB 4.04Å; P55-V240 HydrophobicContact CB-CG2 3.66Å; P55-V240 HydrophobicContact CG-CG2 4.27Å; P55-V240 PolarHBondContact O-N 3.13Å; W56-V240 HydrophobicContact CZ2-CG1 4.38Å; L230-V240 PolarHBondContact N-O 3.03Å |
| 241 | G | 86.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | -173.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | W56 S57 Y228 | W56-G241 WeakPolarHBondContact CA-O 3.23Å; S57-G241 PolarHBondContact N-O 3.36Å; Y228-G241 WeakPolarHBondContact O-CA 3.35Å |
| 242 | V | 90.4 | Very high | 83.2 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 6% | 0.061 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.8 | -174.5 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | S57 M59 Y228 V244 | S57-V242 WeakPolarHBondContact O-CA 3.49Å; M59-V242 HydrophobicContact CB-CG1 4.16Å; M59-V242 HydrophobicContact CG-CG1 3.29Å; Y228-V242 HydrophobicContact CD1-CB 4.26Å; Y228-V242 HydrophobicContact CE1-CB 3.65Å; Y228-V242 HydrophobicContact CE1-CG1 3.95Å; Y228-V242 HydrophobicContact CE1-CG2 4.42Å; Y228-V242 HydrophobicContact CE2-CB 4.13Å; Y228-V242 HydrophobicContact CE2-CG2 4.12Å; Y228-V242 PolarHBondContact N-O 3.29Å; Y228-V242 VanDerWaalsContact N-O 3.08Å; Y228-V242 PolarHBondContact O-N 2.94Å; V242-V244 HydrophobicContact CG1-CG2 4.05Å |
| 243 | K | 93.4 | Very high | 82.9 | Confident | 54 Ų | 54 | 53.5 Ų | 53.5 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 115.3 | 169.3 | -60.7 | -178.6 | -177.5 | 162.1 | 0 | 108.4 | W56 S57 M59 Y226 K227 F245 | W56-K243 HydrophobicContact CB-CD 4.24Å; W56-K243 HydrophobicContact CB-CG 4.28Å; W56-K243 HydrophobicContact CD2-CD 4.41Å; W56-K243 HydrophobicContact CD2-CG 4.12Å; W56-K243 HydrophobicContact CE3-CD 4.48Å; W56-K243 HydrophobicContact CE3-CG 3.71Å; W56-K243 HydrophobicContact CG-CD 4.31Å; W56-K243 HydrophobicContact CG-CG 4.37Å; W56-K243 HydrophobicContact CZ3-CG 4.41Å; S57-K243 PolarHBondContact O-N 3Å; M59-K243 PolarHBondContact N-O 2.99Å; Y226-K243 WeakPolarHBondContact O-CA 3.45Å; K227-K243 HydrophobicContact CD-CG 4.47Å; K227-K243 HydrophobicContact CG-CG 4.09Å; K243-F245 HydrophobicContact CB-CE2 3.91Å; K243-F245 HydrophobicContact CB-CZ 4.39Å |
| 244 | V | 93.6 | Very high | 82.3 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.4 | 177.4 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | M59 A61 V225 Y226 Y228 V242 F246 | M59-V244 HydrophobicContact CB-CB 4.45Å; M59-V244 HydrophobicContact CB-CG1 4.41Å; M59-V244 HydrophobicContact CB-CG2 4.12Å; M59-V244 WeakPolarHBondContact O-CA 3.41Å; A61-V244 HydrophobicContact CB-CG1 3.52Å; V225-V244 CarbonylContact C-O 3.59Å; V225-V244 VanDerWaalsContact CA-O 3.31Å; V225-V244 WeakPolarHBondContact CA-O 3.4Å; Y226-V244 PolarHBondContact N-O 2.99Å; Y226-V244 PolarHBondContact O-N 2.91Å; Y228-V244 HydrophobicContact CE1-CG2 3.97Å; V242-V244 HydrophobicContact CG1-CG2 4.05Å; V244-F246 HydrophobicContact CB-CZ 4.44Å; V244-F246 HydrophobicContact CG1-CD1 4.38Å; V244-F246 HydrophobicContact CG1-CE1 3.82Å; V244-F246 HydrophobicContact CG1-CZ 4.13Å |
| 245 | F | 94.9 | Very high | 81.7 | Confident | 37 Ų | 37 | 51 Ų | 51 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.4 | 175.8 | -65.9 | -91.3 | 0 | 0 | 0 | 109.6 | L58 M59 A60 A61 L197 P222 V225 K243 F247 | L58-F245 HydrophobicContact CD2-CE2 3.73Å; L58-F245 HydrophobicContact CD2-CZ 4.39Å; M59-F245 PolarHBondContact O-N 3.46Å; A60-F245 CarbonylContact C-O 3.56Å; A60-F245 WeakPolarHBondContact CA-O 3.4Å; A61-F245 PolarHBondContact N-O 3.28Å; L197-F245 HydrophobicContact CD1-CD2 4.37Å; L197-F245 HydrophobicContact CD1-CG 4.3Å; P222-F245 HydrophobicContact CB-CB 4.07Å; P222-F245 HydrophobicContact CB-CD1 4.11Å; P222-F245 HydrophobicContact CG-CD1 3.98Å; V225-F245 HydrophobicContact CG1-CD1 4.38Å; V225-F245 HydrophobicContact CG1-CE1 4.19Å; V225-F245 HydrophobicContact CG1-CZ 4.47Å; V225-F245 HydrophobicContact CG2-CD1 3.5Å; V225-F245 VanDerWaalsContact CG2-CD1 3.5Å; V225-F245 HydrophobicContact CG2-CE1 3.61Å; V225-F245 HydrophobicContact CG2-CG 4.45Å; K243-F245 HydrophobicContact CB-CE2 3.91Å; K243-F245 HydrophobicContact CB-CZ 4.39Å; F245-F247 HydrophobicContact CB-CE2 4.05Å |
| 246 | F | 95.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130.9 | -179.4 | -57.1 | -68.8 | 0 | 0 | 0 | 111.1 | A61 L186 P222 C223 G224 V244 Y280 V284 F287 | A61-F246 HydrophobicContact CB-CD1 3.57Å; A61-F246 HydrophobicContact CB-CE1 3.85Å; A61-F246 CarbonylContact O-C 3.57Å; A61-F246 WeakPolarHBondContact O-CA 3.45Å; L186-F246 HydrophobicContact CD1-CD1 3.64Å; L186-F246 HydrophobicContact CD1-CE1 3.82Å; P222-F246 CarbonylContact C-O 3.54Å; P222-F246 WeakPolarHBondContact CA-O 3.3Å; C223-F246 PolarHBondContact N-O 3.31Å; G224-F246 WeakPolarHBondContact O-CD2 3.48Å; G224-F246 PolarHBondContact O-N 2.87Å; V244-F246 HydrophobicContact CB-CZ 4.44Å; V244-F246 HydrophobicContact CG1-CD1 4.38Å; V244-F246 HydrophobicContact CG1-CE1 3.82Å; V244-F246 HydrophobicContact CG1-CZ 4.13Å; F246-Y280 AromaticContact CE1-CE2 3.91Å; F246-Y280 HydrophobicContact CE1-CE2 3.91Å; F246-Y280 AromaticContact CE1-CZ 3.8Å; F246-Y280 WeakPolarHBondContact CE1-OH 3.44Å; F246-Y280 HydrophobicContact CZ-CD2 4.39Å; F246-Y280 AromaticContact CZ-CE2 3.61Å; F246-Y280 HydrophobicContact CZ-CE2 3.61Å; F246-Y280 AromaticContact CZ-CZ 3.91Å; F246-V284 HydrophobicContact CE1-CG2 4.39Å; F246-V284 HydrophobicContact CZ-CG2 4.16Å; F246-F287 HydrophobicContact CB-CE1 3.9Å; F246-F287 HydrophobicContact CB-CE2 4.43Å; F246-F287 HydrophobicContact CB-CZ 3.71Å; F246-F287 HydrophobicContact CD1-CZ 4.19Å; F246-F287 AromaticContact CD2-CE1 3.58Å; F246-F287 HydrophobicContact CD2-CE1 3.58Å; F246-F287 AromaticContact CD2-CZ 3.97Å; F246-F287 HydrophobicContact CD2-CZ 3.97Å; F246-F287 HydrophobicContact CE2-CE1 4.28Å; F246-F287 AromaticContact CG-CE1 3.78Å; F246-F287 HydrophobicContact CG-CE1 3.78Å; F246-F287 AromaticContact CG-CZ 3.68Å; F246-F287 HydrophobicContact CG-CZ 3.68Å |
| 247 | F | 94.6 | Very high | 79.1 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.6 | 171.9 | -68.4 | -86.1 | 0 | 0 | 0 | 109.9 | A60 A61 V62 C63 L197 R198 A201 F217 N220 P222 F245 | A60-F247 HydrophobicContact CB-CD2 4.32Å; A60-F247 HydrophobicContact CB-CE2 4.06Å; A61-F247 PolarHBondContact O-N 2.98Å; V62-F247 WeakPolarHBondContact CA-O 3.39Å; C63-F247 PolarHBondContact N-O 3.5Å; L197-F247 HydrophobicContact CB-CE2 3.77Å; L197-F247 HydrophobicContact CB-CZ 3.53Å; R198-F247 HydrophobicContact CB-CE1 4.45Å; A201-F247 HydrophobicContact CB-CB 4.23Å; A201-F247 HydrophobicContact CB-CD2 3.78Å; A201-F247 HydrophobicContact CB-CG 4.2Å; F217-F247 HydrophobicContact CD1-CB 4.35Å; F217-F247 HydrophobicContact CE1-CB 4.28Å; N220-F247 WeakPolarHBondContact O-CE1 3.4Å; P222-F247 HydrophobicContact CB-CE1 4.16Å; P222-F247 HydrophobicContact CB-CE2 4.46Å; P222-F247 HydrophobicContact CB-CZ 4.04Å; F245-F247 HydrophobicContact CB-CE2 4.05Å |
| 248 | K | 93.1 | Very high | 77.8 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 18% | 0.183 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 130.5 | 177.4 | -175 | 170.6 | 168 | 164.6 | 0 | 110.3 | L218 C223 | L218-K248 HydrophobicContact CD1-CB 4.33Å; L218-K248 HydrophobicContact CD1-CD 3.62Å; L218-K248 HydrophobicContact CD1-CG 3.71Å; L218-K248 PolarHBondContact N-O 3.24Å; C223-K248 WeakPolarHBondContact SG-CB 3.45Å |
| 249 | A | 91.9 | Very high | 76.5 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 148.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V62 C63 L64 Q65 A215 T216 F217 | V62-A249 HydrophobicContact CG1-CB 3.82Å; C63-A249 PolarHBondContact O-N 3.37Å; L64-A249 WeakPolarHBondContact CA-O 3.3Å; L64-A249 HydrophobicContact CD1-CB 3.86Å; Q65-A249 PolarHBondContact N-O 2.99Å; A215-A249 HydrophobicContact CB-CB 4.24Å; T216-A249 CarbonylContact O-C 3.31Å; T216-A249 VanDerWaalsContact O-CA 3.31Å; T216-A249 WeakPolarHBondContact O-CA 3.26Å; F217-A249 HydrophobicContact CD1-CB 3.99Å; F217-A249 HydrophobicContact CD2-CB 4.32Å; F217-A249 HydrophobicContact CE1-CB 3.95Å; F217-A249 HydrophobicContact CE2-CB 4.25Å; F217-A249 HydrophobicContact CG-CB 4.18Å; F217-A249 HydrophobicContact CZ-CB 4.09Å |
| 250 | I | 91.6 | Very high | 75.3 | Confident | 31 Ų | 31 | 45 Ų | 45 | 16% | 0.159 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.6 | 176.3 | -61.5 | 177.5 | 0 | 0 | 0 | 108.7 | Q65 L67 A215 T216 L218 A252 | Q65-I250 CarbonylContact O-C 3.51Å; Q65-I250 WeakPolarHBondContact O-CA 3.49Å; L67-I250 HydrophobicContact CD1-CD1 4.19Å; L67-I250 HydrophobicContact CD1-CG2 3.95Å; L67-I250 HydrophobicContact CD2-CD1 4.47Å; L67-I250 HydrophobicContact CG-CG2 3.88Å; A215-I250 CarbonylContact C-O 3.39Å; A215-I250 WeakPolarHBondContact CA-O 3.48Å; T216-I250 PolarHBondContact N-O 2.86Å; T216-I250 PolarHBondContact O-N 3.34Å; T216-I250 PolarHBondContact OG1-O 3.31Å; L218-I250 HydrophobicContact CD1-CD1 4.02Å; L218-I250 HydrophobicContact CD1-CG1 4.22Å; L218-I250 HydrophobicContact CD2-CD1 3.66Å; L218-I250 HydrophobicContact CD2-CG1 4.19Å; L218-I250 HydrophobicContact CG-CD1 4.16Å; L218-I250 HydrophobicContact CG-CG1 4.26Å; I250-A252 PolarHBondContact O-N 2.78Å |
| 251 | L | 88.6 | Confident | 73.8 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 9% | 0.089 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 123.9 | 172.2 | -176.8 | 68.3 | 0 | 0 | 0 | 109.3 | L64 Q65 R66 V162 V213 W266 | L64-L251 HydrophobicContact CD1-CB 4.37Å; L64-L251 HydrophobicContact CD2-CD1 4.33Å; Q65-L251 PolarHBondContact O-N 3.38Å; R66-L251 HydrophobicContact CB-CB 4.24Å; R66-L251 HydrophobicContact CB-CD2 4.01Å; R66-L251 HydrophobicContact CG-CD2 4.06Å; V162-L251 HydrophobicContact CG1-CD2 3.62Å; V213-L251 HydrophobicContact CG1-CD1 3.42Å; V213-L251 VanDerWaalsContact CG1-CD1 3.42Å; L251-W266 HydrophobicContact CD2-CH2 3.95Å; L251-W266 HydrophobicContact CD2-CZ2 4.38Å |
| 252 | A | 82.2 | Confident | 72.3 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 25% | 0.248 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 138.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | K214 T216 I250 G254 | K214-A252 HydrophobicContact CB-CB 4.04Å; K214-A252 WeakPolarHBondContact O-CB 3.36Å; K214-A252 PolarHBondContact O-N 3.28Å; T216-A252 HydrophobicContact CG2-CB 4.45Å; I250-A252 PolarHBondContact O-N 2.78Å; A252-G254 PolarHBondContact O-N 3.37Å |
| 253 | D | 64.1 | Low | 71.4 | Confident | 156 Ų | 156 | 51.2 Ų | 51.2 | 83% | 0.834 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 129.9 | 179.8 | -65 | -38.1 | 0 | 0 | 0 | 110.9 | ||
| 254 | G | 57.3 | Low | 70.9 | Confident | 75 Ų | 75 | 49.8 Ų | 49.8 | 77% | 0.773 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 122.6 | 2.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | A252 P256 | A252-G254 PolarHBondContact O-N 3.37Å; G254-P256 VanDerWaalsContact O-CD 3.31Å; G254-P256 WeakPolarHBondContact O-CD 3.33Å |
| 255 | T | 55.1 | Low | 70.6 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 23% | 0.233 | 35% | 0.347 | C | S | . | . | trans | -89.9 | 113.1 | 170.4 | 19.6 | 0 | 0 | 0 | 0 | 112.1 | G212 G257 | G212-T255 WeakPolarHBondContact O-CG2 3.24Å; T255-G257 PolarHBondContact O-N 2.9Å | ||
| 256 | P | 46.3 | Very low | 70.4 | Confident | 111 Ų | 111 | 49.5 Ų | 49.5 | 72% | 0.721 | 34% | 0.342 | S | S | * | . | trans | -59.2 | 131 | 160.7 | 26.9 | -31 | 0 | 0 | 0 | 106.5 | G254 S258 | G254-P256 VanDerWaalsContact O-CD 3.31Å; G254-P256 WeakPolarHBondContact O-CD 3.33Å; P256-S258 PolarHBondContact O-N 3.03Å | ||
| 257 | G | 47 | Very low | 70.1 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 60% | 0.598 | 34% | 0.342 | S | S | * | . | trans | -54.1 | 103.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | T255 A259 | T255-G257 PolarHBondContact O-N 2.9Å; G257-A259 PolarHBondContact O-N 3.36Å | ||
| 258 | S | 42.9 | Very low | 69.9 | Low | 67 Ų | 67 | 51.6 Ų | 51.6 | 47% | 0.469 | 35% | 0.351 | S | S | . | . | trans | -55 | 140.6 | 168.2 | 179.1 | 0 | 0 | 0 | 0 | 107.3 | A211 P256 | A211-S258 WeakPolarHBondContact O-CB 3.25Å; P256-S258 PolarHBondContact O-N 3.03Å | ||
| 259 | A | 40.5 | Very low | 69.6 | Low | 67 Ų | 67 | 52.1 Ų | 52.1 | 55% | 0.554 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -27 | 137.9 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G257 T261 | G257-A259 PolarHBondContact O-N 3.36Å; A259-T261 VanDerWaalsContact C-N 3.3Å; A259-T261 PolarHBondContact O-N 3.35Å; A259-T261 PolarHBondContact O-OG1 3.46Å |
| 260 | P | 47.8 | Very low | 69.4 | Low | 105 Ų | 105 | 55.7 Ų | 55.7 | 68% | 0.682 | 38% | 0.378 | S | S | * | . | trans | -56 | 97.6 | 178.3 | 25.1 | -33.6 | 0 | 0 | 0 | 108.6 | A262 | P260-A262 PolarHBondContact O-N 2.67Š| ||
| 261 | T | 54 | Low | 69.3 | Low | 60 Ų | 60 | 56.2 Ų | 56.2 | 37% | 0.368 | 38% | 0.38 | S | S | . | . | trans | -78.1 | 120.9 | 169.3 | -43.2 | 0 | 0 | 0 | 0 | 103 | A259 S263 L264 | A259-T261 VanDerWaalsContact C-N 3.3Å; A259-T261 PolarHBondContact O-N 3.35Å; A259-T261 PolarHBondContact O-OG1 3.46Å; T261-S263 WeakPolarHBondContact CG2-OG 3.41Å; T261-S263 PolarHBondContact O-N 2.71Å; T261-L264 PolarHBondContact O-N 3.39Å | ||
| 262 | A | 54.4 | Low | 69.3 | Low | 91 Ų | 91 | 55.4 Ų | 55.4 | 75% | 0.752 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -10.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | P260 | P260-A262 PolarHBondContact O-N 2.67Š|
| 263 | S | 71 | Confident | 69.5 | Low | 34 Ų | 34 | 60.3 Ų | 60.3 | 24% | 0.238 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -0.3 | 176.7 | 55.2 | 0 | 0 | 0 | 0 | 115.5 | A174 E175 W184 T261 | A174-S263 CarbonylContact C-O 3.6Å; A174-S263 VanDerWaalsContact CA-O 3.25Å; A174-S263 WeakPolarHBondContact CA-O 3.47Å; E175-S263 PolarHBondContact N-O 2.89Å; W184-S263 WeakPolarHBondContact CZ3-O 3.39Å; T261-S263 WeakPolarHBondContact CG2-OG 3.41Å; T261-S263 PolarHBondContact O-N 2.71Å |
| 264 | L | 83.1 | Confident | 70.7 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 13% | 0.126 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 130.8 | -175.3 | -70 | 174.5 | 0 | 0 | 0 | 113.4 | L172 A174 V208 T209 T261 | L172-L264 HydrophobicContact CD1-CB 4.33Å; L172-L264 HydrophobicContact CD1-CD2 3.76Å; L172-L264 HydrophobicContact CD2-CD2 4.28Å; L172-L264 HydrophobicContact CG-CD2 4.2Å; A174-L264 HydrophobicContact CB-CD2 4.03Å; V208-L264 HydrophobicContact CG1-CD1 4.37Å; V208-L264 HydrophobicContact CG1-CD2 3.21Å; V208-L264 HydrophobicContact CG1-CG 4.13Å; T209-L264 HydrophobicContact CG2-CD1 4.34Å; T261-L264 PolarHBondContact O-N 3.39Å |
| 265 | L | 87.9 | Confident | 72.2 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 9% | 0.089 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135.1 | 175.3 | -66.6 | 170.3 | 0 | 0 | 0 | 110.4 | L159 L172 L173 W184 L267 Y275 | L159-L265 HydrophobicContact CB-CD2 3.54Å; L159-L265 HydrophobicContact CD1-CD2 4.18Å; L172-L265 CarbonylContact C-O 3.55Å; L172-L265 WeakPolarHBondContact CA-O 3.46Å; L173-L265 HydrophobicContact CB-CB 4.42Å; L173-L265 PolarHBondContact N-O 2.86Å; L173-L265 PolarHBondContact O-N 3.05Å; W184-L265 HydrophobicContact CD2-CD1 3.87Å; W184-L265 HydrophobicContact CE3-CD1 3.62Å; W184-L265 HydrophobicContact CE3-CG 4.22Å; W184-L265 HydrophobicContact CH2-CD1 3.41Å; W184-L265 VanDerWaalsContact CH2-CD1 3.41Å; W184-L265 HydrophobicContact CH2-CG 3.68Å; W184-L265 HydrophobicContact CZ2-CD1 3.68Å; W184-L265 HydrophobicContact CZ2-CG 4.4Å; W184-L265 HydrophobicContact CZ3-CB 4.25Å; W184-L265 HydrophobicContact CZ3-CD1 3.38Å; W184-L265 HydrophobicContact CZ3-CG 3.57Å; L265-L267 HydrophobicContact CB-CG 4.28Å; L265-Y275 HydrophobicContact CD1-CD1 4.34Å; L265-Y275 HydrophobicContact CD1-CE1 4.03Å |
| 266 | W | 89 | Confident | 73.8 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 6% | 0.057 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.3 | 166.9 | -69.8 | 92.1 | 0 | 0 | 0 | 107.8 | L64 R66 L159 V162 R164 L170 V171 L172 L251 | L64-W266 HydrophobicContact CD2-CH2 3.7Å; L64-W266 HydrophobicContact CD2-CZ2 4.38Å; L64-W266 HydrophobicContact CG-CH2 4.12Å; R66-W266 HydrophobicContact CB-CE3 4.32Å; R66-W266 HydrophobicContact CB-CH2 4.48Å; R66-W266 HydrophobicContact CB-CZ3 3.82Å; L159-W266 PolarHBondContact O-N 3.49Å; V162-W266 HydrophobicContact CG2-CD2 4.39Å; V162-W266 HydrophobicContact CG2-CZ2 3.88Å; R164-W266 PolarHBondContact NE-O 3.4Å; R164-W266 PolarHBondContact NH2-O 3.32Å; L170-W266 HydrophobicContact CB-CB 4.35Å; L170-W266 HydrophobicContact CB-CE3 3.97Å; L170-W266 HydrophobicContact CD1-CB 4.19Å; V171-W266 WeakPolarHBondContact O-CA 3.33Å; L172-W266 HydrophobicContact CB-CE3 4.3Å; L172-W266 HydrophobicContact CB-CH2 4.18Å; L172-W266 HydrophobicContact CB-CZ2 4.46Å; L172-W266 HydrophobicContact CB-CZ3 4.09Å; L172-W266 HydrophobicContact CD1-CD2 4.15Å; L172-W266 HydrophobicContact CD1-CH2 4.47Å; L172-W266 HydrophobicContact CD1-CZ2 3.91Å; L251-W266 HydrophobicContact CD2-CH2 3.95Å; L251-W266 HydrophobicContact CD2-CZ2 4.38Å |
| 267 | L | 89.6 | Confident | 75.8 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.7 | -174.7 | -65.4 | -177.4 | 0 | 0 | 0 | 113.5 | L159 L170 V171 L173 L265 E271 L272 Y275 | L159-L267 HydrophobicContact CD1-CD2 4.45Å; L159-L267 HydrophobicContact CD2-CD2 4.06Å; L170-L267 WeakPolarHBondContact CA-O 3.46Å; V171-L267 PolarHBondContact N-O 2.79Å; V171-L267 PolarHBondContact O-N 3.46Å; L173-L267 HydrophobicContact CD1-CD1 3.46Å; L173-L267 VanDerWaalsContact CD1-CD1 3.46Å; L173-L267 HydrophobicContact CD1-CG 4.49Å; L173-L267 HydrophobicContact CG-CD1 4.16Å; L265-L267 HydrophobicContact CB-CG 4.28Å; L267-E271 HydrophobicContact CB-CB 4.38Å; L267-E271 HydrophobicContact CD2-CB 4.24Å; L267-L272 HydrophobicContact CB-CD1 4.25Å; L267-L272 HydrophobicContact CD1-CD1 4.35Å; L267-Y275 HydrophobicContact CD1-CD2 3.3Å; L267-Y275 HydrophobicContact CD1-CE2 3.64Å; L267-Y275 HydrophobicContact CD1-CG 3.93Å; L267-Y275 HydrophobicContact CD2-CD2 4.44Å; L267-Y275 HydrophobicContact CD2-CE2 3.92Å; L267-Y275 HydrophobicContact CG-CE2 4.48Å |
| 268 | K | 90.1 | Very high | 77.8 | Confident | 45 Ų | 45 | 63 Ų | 63 | 20% | 0.196 | 36% | 0.355 | C | S | . | . | trans | -73.7 | 159.8 | 164.8 | -58.9 | -174 | -171.3 | -163.1 | 0 | 110.4 | C165 D168 L170 S270 E271 L272 | C165-K268 VanDerWaalsContact CB-CE 3.44Å; C165-K268 WeakPolarHBondContact SG-CE 3.32Å; C165-K268 PolarHBondContact SG-NZ 2.92Å; D168-K268 HydrophobicContact CB-CD 4.43Å; D168-K268 WeakPolarHBondContact OD2-CD 3.39Å; D168-K268 WeakPolarHBondContact OD2-CE 3.41Å; D168-K268 IonicContact OD2-NZ 2.98Å; D168-K268 PolarHBondContact OD2-NZ 3.15Å; L170-K268 HydrophobicContact CD2-CG 3.89Å; K268-S270 PolarHBondContact O-N 2.73Å; K268-E271 HydrophobicContact CB-CG 4.24Å; K268-E271 PolarHBondContact N-OE2 3.28Å; K268-E271 PolarHBondContact O-N 3.02Å; K268-E271 VanDerWaalsContact O-N 3.15Å; K268-L272 PolarHBondContact O-N 3.27Å | ||
| 269 | K | 87.8 | Confident | 80 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 23% | 0.23 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.1 | -34.3 | 174.8 | -173.5 | 179.5 | -178.1 | 170.4 | 0 | 113.1 | L272 G285 I288 N290 | K269-L272 WeakPolarHBondContact O-CB 3.31Å; K269-G285 PolarHBondContact NZ-O 3.37Å; K269-I288 HydrophobicContact CB-CG2 4.38Å; K269-I288 HydrophobicContact CD-CG2 4.16Å; K269-I288 HydrophobicContact CG-CG2 4.28Å; K269-I288 PolarHBondContact NZ-O 3.35Å; K269-N290 WeakPolarHBondContact CB-OD1 3.49Å; K269-N290 HydrophobicContact CD-CB 4.21Å; K269-N290 WeakPolarHBondContact CD-ND2 3.5Å; K269-N290 WeakPolarHBondContact CD-OD1 3.44Å |
| 270 | S | 88.2 | Confident | 82.3 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 176.9 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | K268 | K268-S270 PolarHBondContact O-N 2.73Å |
| 271 | E | 88.8 | Confident | 84.3 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -76.2 | -29.8 | 179.9 | -63.9 | 163.8 | 176 | 0 | 0 | 112.1 | R164 L267 K268 Q273 K274 Y275 | R164-E271 IonicContact CZ-OE2 2.79Å; R164-E271 IonicContact NH1-OE1 2.8Å; R164-E271 IonicContact NH1-OE2 3.14Å; R164-E271 IonicContact NH2-OE1 2.7Å; R164-E271 IonicContact NH2-OE2 3.03Å; R164-E271 PolarHBondContact NH2-OE2 2.88Å; L267-E271 HydrophobicContact CB-CB 4.38Å; L267-E271 HydrophobicContact CD2-CB 4.24Å; K268-E271 HydrophobicContact CB-CG 4.24Å; K268-E271 PolarHBondContact N-OE2 3.28Å; K268-E271 PolarHBondContact O-N 3.02Å; K268-E271 VanDerWaalsContact O-N 3.15Å; E271-Q273 PolarHBondContact O-N 2.84Å; E271-K274 WeakPolarHBondContact O-CB 3.36Å; E271-K274 PolarHBondContact O-N 3.06Å; E271-Y275 WeakPolarHBondContact O-CD2 3.34Å |
| 272 | L | 87.9 | Confident | 86 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -53.4 | -31.9 | -179.1 | -153.3 | 77.9 | 0 | 0 | 0 | 113.2 | L173 L267 K268 K269 K274 Y275 L276 M281 V284 I288 | L173-L272 HydrophobicContact CD1-CD1 3.93Å; L173-L272 HydrophobicContact CD2-CD1 4.01Å; L173-L272 HydrophobicContact CG-CD1 4Å; L267-L272 HydrophobicContact CB-CD1 4.25Å; L267-L272 HydrophobicContact CD1-CD1 4.35Å; K268-L272 PolarHBondContact O-N 3.27Å; K269-L272 WeakPolarHBondContact O-CB 3.31Å; L272-K274 PolarHBondContact O-N 3.04Å; L272-Y275 PolarHBondContact O-N 3.25Å; L272-L276 HydrophobicContact CD1-CD1 4.07Å; L272-L276 HydrophobicContact CD2-CD1 3.6Å; L272-L276 HydrophobicContact CG-CD1 3.46Å; L272-L276 VanDerWaalsContact CG-CD1 3.46Å; L272-L276 HydrophobicContact CG-CG 4.1Å; L272-L276 PolarHBondContact O-N 3.42Å; L272-L276 VanDerWaalsContact O-N 3.14Å; L272-M281 HydrophobicContact CB-CE 4.15Å; L272-M281 HydrophobicContact CB-SD 4.13Å; L272-M281 HydrophobicContact CD2-CE 4.02Å; L272-M281 HydrophobicContact CD2-SD 3.64Å; L272-M281 HydrophobicContact CG-SD 4.03Å; L272-V284 HydrophobicContact CD2-CG1 3.88Å; L272-I288 HydrophobicContact CD2-CD1 3.57Å |
| 273 | Q | 87.4 | Confident | 87.6 | Confident | 134 Ų | 134 | 55.2 Ų | 55.2 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.4 | -27.1 | 179 | -60.5 | -177.6 | 19.2 | 0 | 0 | 113.2 | E271 M281 | E271-Q273 PolarHBondContact O-N 2.84Å; Q273-M281 HydrophobicContact CG-CE 3.72Å; Q273-M281 HydrophobicContact CG-CG 4.18Å; Q273-M281 HydrophobicContact CG-SD 4.38Å |
| 274 | K | 88.9 | Confident | 88.5 | Confident | 179 Ų | 179 | 53.6 Ų | 53.6 | 78% | 0.778 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -76.2 | -29 | -178.8 | -61 | -179.8 | -179 | 177.4 | 0 | 112.4 | E271 L272 | E271-K274 WeakPolarHBondContact O-CB 3.36Å; E271-K274 PolarHBondContact O-N 3.06Å; L272-K274 PolarHBondContact O-N 3.04Å |
| 275 | Y | 88 | Confident | 88.6 | Confident | 84 Ų | 84 | 53.3 Ų | 53.3 | 33% | 0.329 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -100.1 | -35.3 | -173.3 | -64.4 | -89 | 0 | 0 | 0 | 113.3 | L159 W184 L265 L267 E271 L272 | L159-Y275 VanDerWaalsContact CD1-OH 3.31Å; L159-Y275 WeakPolarHBondContact CD1-OH 3.37Å; W184-Y275 AromaticContact CD1-CD1 4Å; W184-Y275 HydrophobicContact CG-CD1 4.24Å; L265-Y275 HydrophobicContact CD1-CD1 4.34Å; L265-Y275 HydrophobicContact CD1-CE1 4.03Å; L267-Y275 HydrophobicContact CD1-CD2 3.3Å; L267-Y275 HydrophobicContact CD1-CE2 3.64Å; L267-Y275 HydrophobicContact CD1-CG 3.93Å; L267-Y275 HydrophobicContact CD2-CD2 4.44Å; L267-Y275 HydrophobicContact CD2-CE2 3.92Å; L267-Y275 HydrophobicContact CG-CE2 4.48Å; E271-Y275 WeakPolarHBondContact O-CD2 3.34Å; L272-Y275 PolarHBondContact O-N 3.25Å |
| 276 | L | 88.6 | Confident | 88.7 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -88 | 142 | -175.9 | -62.7 | -177.5 | 0 | 0 | 0 | 111.9 | L173 W184 L272 Y280 M281 V284 | L173-L276 HydrophobicContact CD1-CD2 4.17Å; L173-L276 HydrophobicContact CD1-CG 4.47Å; L173-L276 HydrophobicContact CD2-CD2 4.09Å; W184-L276 WeakPolarHBondContact O-CD2 3.46Å; L272-L276 HydrophobicContact CD1-CD1 4.07Å; L272-L276 HydrophobicContact CD2-CD1 3.6Å; L272-L276 HydrophobicContact CG-CD1 3.46Å; L272-L276 VanDerWaalsContact CG-CD1 3.46Å; L272-L276 HydrophobicContact CG-CG 4.1Å; L272-L276 PolarHBondContact O-N 3.42Å; L272-L276 VanDerWaalsContact O-N 3.14Å; L276-Y280 HydrophobicContact CB-CD1 4.19Å; L276-Y280 HydrophobicContact CD1-CD1 3.8Å; L276-Y280 HydrophobicContact CD1-CE1 3.96Å; L276-Y280 HydrophobicContact CD2-CD1 3.83Å; L276-Y280 HydrophobicContact CD2-CE1 3.84Å; L276-Y280 HydrophobicContact CG-CD1 4.15Å; L276-Y280 HydrophobicContact CG-CE1 4.45Å; L276-M281 HydrophobicContact CB-CB 4.19Å; L276-M281 HydrophobicContact CD1-SD 4.13Å; L276-V284 HydrophobicContact CD1-CG1 4.43Å |
| 277 | K | 89.5 | Confident | 88.7 | Confident | 109 Ų | 109 | 61.5 Ų | 61.5 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | trans | -57.7 | 140 | 170.4 | -68.5 | -174.9 | 178.2 | 177.3 | 0 | 109.8 | E181 A279 Y280 M281 | E181-K277 IonicContact OE2-NZ 3.61Å; E181-K277 PolarHBondContact OE2-NZ 2.91Å; E181-K277 VanDerWaalsContact OE2-NZ 3.16Å; K277-A279 VanDerWaalsContact C-N 3.32Å; K277-A279 PolarHBondContact O-N 3.41Å; K277-A279 VanDerWaalsContact O-N 3.15Å; K277-Y280 WeakPolarHBondContact O-CA 3.33Å; K277-Y280 WeakPolarHBondContact O-CB 3.46Å; K277-Y280 PolarHBondContact O-N 2.89Å; K277-M281 PolarHBondContact O-N 2.91Å | ||
| 278 | P | 88.8 | Confident | 88.5 | Confident | 113 Ų | 113 | 61.6 Ų | 61.6 | 73% | 0.734 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -54.5 | -40.5 | -172.9 | -29.3 | 34.4 | 0 | 0 | 0 | 115 | Y280 M281 M282 | P278-Y280 VanDerWaalsContact C-N 3.31Å; P278-Y280 PolarHBondContact O-N 3.25Å; P278-M281 PolarHBondContact O-N 3.19Å; P278-M282 PolarHBondContact O-N 3.48Å |
| 279 | A | 89 | Confident | 88 | Confident | 54 Ų | 54 | 64 Ų | 64 | 45% | 0.446 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.7 | -33.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | K277 N283 | K277-A279 VanDerWaalsContact C-N 3.32Å; K277-A279 PolarHBondContact O-N 3.41Å; K277-A279 VanDerWaalsContact O-N 3.15Å; A279-N283 PolarHBondContact O-ND2 2.95Å |
| 280 | Y | 89.4 | Confident | 87.3 | Confident | 6 Ų | 6 | 66 Ų | 66 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.5 | -43.9 | 176 | -172.7 | -97.5 | 0 | 0 | 0 | 110.2 | L185 L186 Y226 F246 L276 K277 P278 M282 N283 V284 | L185-Y280 HydrophobicContact CD2-CD1 4.22Å; L185-Y280 HydrophobicContact CD2-CD2 4.3Å; L185-Y280 HydrophobicContact CD2-CE1 3.94Å; L185-Y280 HydrophobicContact CD2-CE2 4.01Å; L185-Y280 HydrophobicContact CD2-CG 4.38Å; L186-Y280 WeakPolarHBondContact CB-OH 3.33Å; L186-Y280 HydrophobicContact CG-CE1 4.49Å; L186-Y280 PolarHBondContact N-OH 3.08Å; Y226-Y280 AromaticContact CD1-CD2 3.61Å; Y226-Y280 HydrophobicContact CD1-CD2 3.61Å; Y226-Y280 HydrophobicContact CD1-CE2 4.05Å; Y226-Y280 HydrophobicContact CD2-CD2 4.4Å; Y226-Y280 AromaticContact CE1-CD2 3.76Å; Y226-Y280 HydrophobicContact CE1-CD2 3.76Å; Y226-Y280 AromaticContact CG-CD2 3.94Å; Y226-Y280 HydrophobicContact CG-CD2 3.94Å; Y226-Y280 HydrophobicContact CG-CE2 4.43Å; F246-Y280 AromaticContact CE1-CE2 3.91Å; F246-Y280 HydrophobicContact CE1-CE2 3.91Å; F246-Y280 AromaticContact CE1-CZ 3.8Å; F246-Y280 WeakPolarHBondContact CE1-OH 3.44Å; F246-Y280 HydrophobicContact CZ-CD2 4.39Å; F246-Y280 AromaticContact CZ-CE2 3.61Å; F246-Y280 HydrophobicContact CZ-CE2 3.61Å; F246-Y280 AromaticContact CZ-CZ 3.91Å; L276-Y280 HydrophobicContact CB-CD1 4.19Å; L276-Y280 HydrophobicContact CD1-CD1 3.8Å; L276-Y280 HydrophobicContact CD1-CE1 3.96Å; L276-Y280 HydrophobicContact CD2-CD1 3.83Å; L276-Y280 HydrophobicContact CD2-CE1 3.84Å; L276-Y280 HydrophobicContact CG-CD1 4.15Å; L276-Y280 HydrophobicContact CG-CE1 4.45Å; K277-Y280 WeakPolarHBondContact O-CA 3.33Å; K277-Y280 WeakPolarHBondContact O-CB 3.46Å; K277-Y280 PolarHBondContact O-N 2.89Å; P278-Y280 VanDerWaalsContact C-N 3.31Å; P278-Y280 PolarHBondContact O-N 3.25Å; Y280-M282 VanDerWaalsContact C-N 3.31Å; Y280-M282 PolarHBondContact O-N 3.06Å; Y280-N283 PolarHBondContact O-N 3.17Å; Y280-V284 HydrophobicContact CD1-CG2 3.82Å; Y280-V284 HydrophobicContact CE1-CG2 3.55Å; Y280-V284 HydrophobicContact CG-CG2 4.44Å; Y280-V284 WeakPolarHBondContact O-CG2 3.35Å; Y280-V284 PolarHBondContact O-N 3.39Å |
| 281 | M | 89.1 | Confident | 86 | Confident | 22 Ų | 22 | 73.1 Ų | 73.1 | 11% | 0.108 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.3 | -40.5 | 176.5 | -177.3 | 55.5 | -166.5 | 0 | 0 | 112.6 | L272 Q273 L276 K277 P278 N283 V284 G285 | L272-M281 HydrophobicContact CB-CE 4.15Å; L272-M281 HydrophobicContact CB-SD 4.13Å; L272-M281 HydrophobicContact CD2-CE 4.02Å; L272-M281 HydrophobicContact CD2-SD 3.64Å; L272-M281 HydrophobicContact CG-SD 4.03Å; Q273-M281 HydrophobicContact CG-CE 3.72Å; Q273-M281 HydrophobicContact CG-CG 4.18Å; Q273-M281 HydrophobicContact CG-SD 4.38Å; L276-M281 HydrophobicContact CB-CB 4.19Å; L276-M281 HydrophobicContact CD1-SD 4.13Å; K277-M281 PolarHBondContact O-N 2.91Å; P278-M281 PolarHBondContact O-N 3.19Å; M281-N283 VanDerWaalsContact C-N 3.26Å; M281-N283 PolarHBondContact O-N 3.39Å; M281-V284 PolarHBondContact O-N 3.38Å; M281-G285 PolarHBondContact O-N 3.5Å |
| 282 | M | 88.9 | Confident | 85.9 | Confident | 110 Ų | 110 | 74.7 Ų | 74.7 | 54% | 0.542 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.8 | -35.8 | 177.1 | -175.3 | -176.1 | 65.1 | 0 | 0 | 112.7 | P278 Y280 R286 | P278-M282 PolarHBondContact O-N 3.48Å; Y280-M282 VanDerWaalsContact C-N 3.31Å; Y280-M282 PolarHBondContact O-N 3.06Å; M282-R286 WeakPolarHBondContact O-CG 3.22Å |
| 283 | N | 88.9 | Confident | 85.8 | Confident | 35 Ų | 35 | 78.6 Ų | 78.6 | 19% | 0.187 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -79.4 | -39.6 | 179.3 | -69.5 | -60.7 | 0 | 0 | 0 | 111.7 | Y226 A279 Y280 M281 F287 | Y226-N283 HydrophobicContact CD2-CB 4.48Å; Y226-N283 VanDerWaalsContact CD2-ND2 3.29Å; Y226-N283 WeakPolarHBondContact CD2-ND2 3.24Å; A279-N283 PolarHBondContact O-ND2 2.95Å; Y280-N283 PolarHBondContact O-N 3.17Å; M281-N283 VanDerWaalsContact C-N 3.26Å; M281-N283 PolarHBondContact O-N 3.39Å; N283-F287 WeakPolarHBondContact O-CD1 3.3Å; N283-F287 WeakPolarHBondContact O-CE1 3.41Å |
| 284 | V | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.2 | -41.8 | 179.5 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | L186 F246 L272 L276 Y280 M281 R286 F287 I288 | L186-V284 HydrophobicContact CD1-CG1 4.31Å; L186-V284 HydrophobicContact CD1-CG2 4.05Å; F246-V284 HydrophobicContact CE1-CG2 4.39Å; F246-V284 HydrophobicContact CZ-CG2 4.16Å; L272-V284 HydrophobicContact CD2-CG1 3.88Å; L276-V284 HydrophobicContact CD1-CG1 4.43Å; Y280-V284 HydrophobicContact CD1-CG2 3.82Å; Y280-V284 HydrophobicContact CE1-CG2 3.55Å; Y280-V284 HydrophobicContact CG-CG2 4.44Å; Y280-V284 WeakPolarHBondContact O-CG2 3.35Å; Y280-V284 PolarHBondContact O-N 3.39Å; M281-V284 PolarHBondContact O-N 3.38Å; V284-R286 PolarHBondContact O-N 3.15Å; V284-R286 VanDerWaalsContact O-N 3.11Å; V284-F287 HydrophobicContact CB-CE1 4.36Å; V284-F287 HydrophobicContact CB-CZ 4.18Å; V284-F287 HydrophobicContact CG1-CE2 4.4Å; V284-F287 HydrophobicContact CG1-CZ 4.02Å; V284-F287 HydrophobicContact CG2-CE1 4.34Å; V284-F287 HydrophobicContact CG2-CZ 4.11Å; V284-F287 PolarHBondContact O-N 3.11Å; V284-I288 HydrophobicContact CG1-CD1 3.3Å; V284-I288 HydrophobicContact CG1-CG1 4.03Å; V284-I288 WeakPolarHBondContact O-CG1 3.47Å; V284-I288 PolarHBondContact O-N 3.33Å |
| 285 | G | 86.6 | Confident | 85.5 | Confident | 19 Ų | 19 | 69.4 Ų | 69.4 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -17.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K269 M281 | K269-G285 PolarHBondContact NZ-O 3.37Å; M281-G285 PolarHBondContact O-N 3.5Å |
| 286 | R | 88.9 | Confident | 85.3 | Confident | 179 Ų | 179 | 68.5 Ų | 68.5 | 68% | 0.675 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -32.9 | 176.2 | -73.7 | 172.5 | -173.3 | -161.9 | 0.3 | 113.3 | M282 V284 | M282-R286 WeakPolarHBondContact O-CG 3.22Å; V284-R286 PolarHBondContact O-N 3.15Å; V284-R286 VanDerWaalsContact O-N 3.11Å |
| 287 | F | 88.6 | Confident | 85.1 | Confident | 25 Ų | 25 | 72.5 Ų | 72.5 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -11.2 | -176.7 | 63.9 | -103.7 | 0 | 0 | 0 | 113.9 | C63 L186 C223 F246 N283 V284 L289 | C63-F287 HydrophobicContact CB-CE2 3.74Å; C63-F287 HydrophobicContact CB-CZ 4.49Å; L186-F287 HydrophobicContact CD1-CZ 4.3Å; C223-F287 HydrophobicContact CB-CB 4.13Å; C223-F287 HydrophobicContact CB-CD2 4.4Å; C223-F287 HydrophobicContact CB-CG 4.14Å; F246-F287 HydrophobicContact CB-CE1 3.9Å; F246-F287 HydrophobicContact CB-CE2 4.43Å; F246-F287 HydrophobicContact CB-CZ 3.71Å; F246-F287 HydrophobicContact CD1-CZ 4.19Å; F246-F287 AromaticContact CD2-CE1 3.58Å; F246-F287 HydrophobicContact CD2-CE1 3.58Å; F246-F287 AromaticContact CD2-CZ 3.97Å; F246-F287 HydrophobicContact CD2-CZ 3.97Å; F246-F287 HydrophobicContact CE2-CE1 4.28Å; F246-F287 AromaticContact CG-CE1 3.78Å; F246-F287 HydrophobicContact CG-CE1 3.78Å; F246-F287 AromaticContact CG-CZ 3.68Å; F246-F287 HydrophobicContact CG-CZ 3.68Å; N283-F287 WeakPolarHBondContact O-CD1 3.3Å; N283-F287 WeakPolarHBondContact O-CE1 3.41Å; V284-F287 HydrophobicContact CB-CE1 4.36Å; V284-F287 HydrophobicContact CB-CZ 4.18Å; V284-F287 HydrophobicContact CG1-CE2 4.4Å; V284-F287 HydrophobicContact CG1-CZ 4.02Å; V284-F287 HydrophobicContact CG2-CE1 4.34Å; V284-F287 HydrophobicContact CG2-CZ 4.11Å; V284-F287 PolarHBondContact O-N 3.11Å; F287-L289 PolarHBondContact O-N 3.23Å |
| 288 | I | 86.6 | Confident | 84.8 | Confident | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | trans | -79.6 | 108.9 | 167.8 | -60.6 | 175.9 | 0 | 0 | 0 | 108.6 | V171 K269 L272 V284 | V171-I288 HydrophobicContact CG1-CD1 4.37Å; V171-I288 HydrophobicContact CG2-CD1 4.05Å; V171-I288 HydrophobicContact CG2-CG2 4.22Å; K269-I288 HydrophobicContact CB-CG2 4.38Å; K269-I288 HydrophobicContact CD-CG2 4.16Å; K269-I288 HydrophobicContact CG-CG2 4.28Å; K269-I288 PolarHBondContact NZ-O 3.35Å; L272-I288 HydrophobicContact CD2-CD1 3.57Å; V284-I288 HydrophobicContact CG1-CD1 3.3Å; V284-I288 HydrophobicContact CG1-CG1 4.03Å; V284-I288 WeakPolarHBondContact O-CG1 3.47Å; V284-I288 PolarHBondContact O-N 3.33Å | ||
| 289 | L | 79.4 | Confident | 84.5 | Confident | 95 Ų | 95 | 66.6 Ų | 66.6 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | trans | -78.6 | 135.2 | 174 | -59 | 175.4 | 0 | 0 | 0 | 109.7 | F287 L291 | F287-L289 PolarHBondContact O-N 3.23Å; L289-L291 HydrophobicContact CB-CG 4.33Å; L289-L291 HydrophobicContact CD1-CD1 4.49Å | ||
| 290 | N | 72.3 | Confident | 84.1 | Confident | 95 Ų | 95 | 67.7 Ų | 67.7 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | trans | -109.7 | 107.1 | 155.9 | -82.6 | 10 | 0 | 0 | 0 | 104.2 | K269 | K269-N290 WeakPolarHBondContact CB-OD1 3.49Å; K269-N290 HydrophobicContact CD-CB 4.21Å; K269-N290 WeakPolarHBondContact CD-ND2 3.5Å; K269-N290 WeakPolarHBondContact CD-OD1 3.44Å | ||
| 291 | L | 62.3 | Low | 83.7 | Confident | 224 Ų | 224 | 73.3 Ų | 73.3 | 100% | 1.173 | 36% | 0.364 | S | S | * | . | trans | -100.6 | 0 | 172.9 | -69.3 | 172.3 | 0 | 0 | 0 | 108.6 | L289 | L289-L291 HydrophobicContact CB-CG 4.33Å; L289-L291 HydrophobicContact CD1-CD1 4.49Å |
Retrieved 291 of 291 residues in 180.4 ms
(Link to these results)