| 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 | 46.8 | Very low | 50.3 | Low | 247 Ų | 247 | 146.5 Ų | 146.5 | 100% | 1.217 | 85% | 0.854 | S | S | * | * | 0 | 126.4 | 0 | -73.2 | -177.7 | 170.7 | 0 | 0 | 106.8 | |||||
| 2 | T | 51.9 | Low | 50.6 | Low | 140 Ų | 140 | 141.1 Ų | 141.1 | 86% | 0.859 | 84% | 0.839 | S | S | * | * | trans | -77.7 | 138.2 | -162 | -31 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 3 | D | 48.3 | Very low | 50.6 | Low | 157 Ų | 157 | 139.8 Ų | 139.8 | 84% | 0.84 | 84% | 0.837 | S | S | * | * | trans | -120.1 | 119.3 | 164.6 | -153.9 | -49.2 | 0 | 0 | 0 | 108 | ||||
| 4 | P | 58.4 | Low | 50.4 | Low | 102 Ų | 102 | 142.9 Ų | 142.9 | 66% | 0.662 | 85% | 0.845 | S | S | * | * | trans | -122 | 115 | 160.5 | 32.1 | -18.8 | 0 | 0 | 0 | 112.4 | ||||
| 5 | S | 49.8 | Very low | 50 | Low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 85% | 0.845 | S | S | * | * | trans | 33.8 | 104.5 | 136.7 | -60 | 0 | 0 | 0 | 0 | 119.1 | T7 | S5-T7 PolarHBondContact O-N 3.46Š| ||
| 6 | L | 49.3 | Very low | 50.1 | Low | 182 Ų | 182 | 146.3 Ų | 146.3 | 95% | 0.953 | 84% | 0.844 | S | S | * | * | trans | -64.4 | 113.9 | 160.1 | -70.4 | 165.2 | 0 | 0 | 0 | 110.6 | ||||
| 7 | T | 52.7 | Low | 49.8 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 117.2 | 169 | -65.6 | 0 | 0 | 0 | 0 | 109.1 | S5 | S5-T7 PolarHBondContact O-N 3.46Š|
| 8 | S | 55.1 | Low | 49.6 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 142.1 | 167.9 | -77.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 9 | P | 48 | Very low | 49.7 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 81% | 0.812 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 125.7 | 170.6 | 30.3 | -30.6 | 0 | 0 | 0 | 110.4 | E11 | P9-E11 PolarHBondContact O-N 2.78Š|
| 10 | S | 45.9 | Very low | 50.1 | Low | 122 Ų | 122 | 141.1 Ų | 141.1 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | -73.8 | 108.9 | 173.9 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | A12 | S10-A12 PolarHBondContact O-N 2.91Š| ||
| 11 | E | 47.5 | Very low | 50 | Low | 188 Ų | 188 | 140.5 Ų | 140.5 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 120.9 | 169.1 | -166.2 | 173.1 | 127.1 | 0 | 0 | 109.7 | P9 | P9-E11 PolarHBondContact O-N 2.78Š|
| 12 | A | 54 | Low | 50 | Low | 82 Ų | 82 | 136.6 Ų | 136.6 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 133.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S10 | S10-A12 PolarHBondContact O-N 2.91Š|
| 13 | P | 49.8 | Very low | 50.2 | Low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 130.4 | 179.3 | 28.7 | -31.5 | 0 | 0 | 0 | 110.9 | R15 | P13-R15 PolarHBondContact O-N 3.24Š|
| 14 | L | 48.8 | Very low | 50.1 | Low | 183 Ų | 183 | 134.4 Ų | 134.4 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | -62.9 | 113.3 | 170 | -69.8 | 170.8 | 0 | 0 | 0 | 110.1 | ||||
| 15 | R | 44.3 | Very low | 49.3 | Very low | 222 Ų | 222 | 134.4 Ų | 134.4 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -137.5 | 103.9 | 165.9 | -153.3 | 173.2 | -170.9 | -94.3 | 1.8 | 109.9 | P13 | P13-R15 PolarHBondContact O-N 3.24Š| ||
| 16 | S | 50.5 | Low | 49.2 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -81.4 | 138.4 | 170.3 | 34.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 17 | P | 46.1 | Very low | 49.2 | Very low | 103 Ų | 103 | 135 Ų | 135 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | trans | -135.1 | 130.6 | 148.6 | 30.3 | -12.9 | 0 | 0 | 0 | 113.7 | ||||
| 18 | L | 46.2 | Very low | 48.5 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | 48.5 | 101.3 | 149.5 | -91 | 76.8 | 0 | 0 | 0 | 119.2 | A20 | L18-A20 PolarHBondContact O-N 3.32Š| ||
| 19 | S | 50.6 | Low | 48.2 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -76.4 | 108.9 | 154.1 | 63.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 20 | A | 58.4 | Low | 48 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 69% | 0.694 | 81% | 0.806 | S | S | * | * | trans | -72.1 | 136.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | L18 L22 | L18-A20 PolarHBondContact O-N 3.32Å; A20-L22 PolarHBondContact O-N 2.78Å | ||
| 21 | P | 48.5 | Very low | 48 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -73.9 | 122.3 | 175.3 | 28.2 | -30.8 | 0 | 0 | 0 | 110.2 | S23 | P21-S23 PolarHBondContact O-N 3.47Š| ||
| 22 | L | 46.9 | Very low | 47.8 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | -65.8 | 115.4 | 172.3 | -64.5 | 171.2 | 0 | 0 | 0 | 109.3 | A20 L24 | A20-L22 PolarHBondContact O-N 2.78Å; L22-L24 PolarHBondContact O-N 3.03Å | ||
| 23 | S | 54.3 | Low | 47.5 | Very low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | trans | -67.3 | 106.7 | 168.9 | 170.2 | 0 | 0 | 0 | 0 | 109.4 | P21 S25 | P21-S23 PolarHBondContact O-N 3.47Å; S23-S25 PolarHBondContact O-N 3.13Å | ||
| 24 | L | 47.2 | Very low | 47.5 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -72.8 | 93.1 | 168.2 | -79.6 | 162.2 | 0 | 0 | 0 | 109.4 | L22 F26 | L22-L24 PolarHBondContact O-N 3.03Å; L24-F26 HydrophobicContact CB-CE2 4.31Å; L24-F26 PolarHBondContact O-N 3.48Å | ||
| 25 | S | 41.5 | Very low | 47.5 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -76.9 | 107.1 | 169.8 | -54.7 | 0 | 0 | 0 | 0 | 109.3 | S23 P27 | S23-S25 PolarHBondContact O-N 3.13Å; S25-P27 WeakPolarHBondContact O-CD 3.24Å | ||
| 26 | F | 47.5 | Very low | 47.6 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -83.4 | 119 | 169.4 | -78.2 | -85.3 | 0 | 0 | 0 | 109.8 | L24 F28 | L24-F26 HydrophobicContact CB-CE2 4.31Å; L24-F26 PolarHBondContact O-N 3.48Å; F26-F28 PolarHBondContact O-N 2.95Å | ||
| 27 | P | 48.8 | Very low | 47.3 | Very low | 121 Ų | 121 | 147 Ų | 147 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | trans | -88.4 | 87.1 | 174 | 34.6 | -27 | 0 | 0 | 0 | 108.2 | S25 | S25-P27 WeakPolarHBondContact O-CD 3.24Š| ||
| 28 | F | 39.2 | Very low | 47.4 | Very low | 178 Ų | 178 | 153.2 Ų | 153.2 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -142.9 | 96.4 | 154.3 | -149.9 | -96.1 | 0 | 0 | 0 | 110.1 | F26 R30 | F26-F28 PolarHBondContact O-N 2.95Å; F28-R30 HydrophobicContact CD1-CB 4.34Å; F28-R30 PolarHBondContact O-N 2.74Å; F28-R30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | L | 47.4 | Very low | 47.5 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -68.9 | 99.4 | 167.5 | -162.9 | 92.7 | 0 | 0 | 0 | 107.4 | ||||
| 30 | R | 43.8 | Very low | 47.7 | Very low | 227 Ų | 227 | 147.4 Ų | 147.4 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -99.8 | 98.9 | 160.6 | -171.3 | 171.5 | 171.1 | -163.7 | -3.2 | 108.5 | F28 | F28-R30 HydrophobicContact CD1-CB 4.34Å; F28-R30 PolarHBondContact O-N 2.74Å; F28-R30 VanDerWaalsContact O-N 3.13Å | ||
| 31 | E | 47.4 | Very low | 47.2 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -42.3 | 136.1 | 163.4 | -166.9 | 81 | -127.5 | 0 | 0 | 111.7 | ||||
| 32 | G | 42.8 | Very low | 47 | Very low | 62 Ų | 62 | 147.7 Ų | 147.7 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | trans | 96.5 | 98 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 33 | S | 48.3 | Very low | 47.3 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | 174.2 | 99.5 | 108.9 | -72.1 | 0 | 0 | 0 | 0 | 110 | V35 | S33-V35 PolarHBondContact O-N 2.65Š| |||
| 34 | R | 48.5 | Very low | 47 | Very low | 236 Ų | 236 | 146.8 Ų | 146.8 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | trans | -73.6 | 111 | 163.8 | -65.3 | 177.9 | 172.5 | -159.6 | -2.5 | 108.2 | ||||
| 35 | V | 48.8 | Very low | 47.2 | Very low | 120 Ų | 120 | 147 Ų | 147 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -162.2 | 93.9 | 143.6 | 108.6 | 0 | 0 | 0 | 0 | 108.3 | S33 | S33-V35 PolarHBondContact O-N 2.65Š| ||
| 36 | W | 45.8 | Very low | 48.1 | Very low | 228 Ų | 228 | 147 Ų | 147 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -110.3 | 83.7 | 150.4 | 53.1 | 97.3 | 0 | 0 | 0 | 105.4 | R38 | W36-R38 PolarHBondContact O-N 3.15Š| ||
| 37 | E | 45.9 | Very low | 48.8 | Very low | 160 Ų | 160 | 140.7 Ų | 140.7 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -68.9 | 119.7 | 171.3 | -160.3 | 167.6 | -164.2 | 0 | 0 | 108.4 | ||||
| 38 | R | 48 | Very low | 49.3 | Very low | 232 Ų | 232 | 137.6 Ų | 137.6 | 88% | 0.875 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 9 | 122.7 | 146 | -100 | -179.2 | -74.8 | -123.2 | -0.8 | 116.9 | W36 | W36-R38 PolarHBondContact O-N 3.15Š|
| 39 | G | 48.7 | Very low | 50 | Low | 79 Ų | 79 | 134.7 Ų | 134.7 | 81% | 0.814 | 72% | 0.722 | S | S | * | * | trans | 72.8 | 69.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 40 | A | 53 | Low | 51 | Low | 92 Ų | 92 | 132.4 Ų | 132.4 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | trans | -90.5 | 132.7 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 41 | P | 49.7 | Very low | 52.1 | Low | 89 Ų | 89 | 123.5 Ų | 123.5 | 58% | 0.578 | 69% | 0.686 | S | S | * | * | trans | -63.6 | 156.8 | 171.5 | 28.4 | -32.8 | 0 | 0 | 0 | 109.8 | Q43 | P41-Q43 PolarHBondContact O-N 3.19Š| ||
| 42 | P | 43.5 | Very low | 53.3 | Low | 130 Ų | 130 | 116.4 Ų | 116.4 | 84% | 0.844 | 65% | 0.654 | S | S | * | * | trans | -63 | 104 | -179.9 | 26.3 | -32.9 | 0 | 0 | 0 | 109.4 | P44 | P42-P44 VanDerWaalsContact O-CD 3.29Å; P42-P44 WeakPolarHBondContact O-CD 3.39Å | ||
| 43 | Q | 52.3 | Low | 55.1 | Low | 139 Ų | 139 | 115 Ų | 115 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | trans | -76 | 117.6 | 175.3 | -67.1 | -66.5 | -7.4 | 0 | 0 | 108.8 | P41 R45 | P41-Q43 PolarHBondContact O-N 3.19Å; Q43-R45 PolarHBondContact O-N 3.17Å | ||
| 44 | P | 48.7 | Very low | 56.3 | Low | 111 Ų | 111 | 114.4 Ų | 114.4 | 72% | 0.721 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 16.2 | -175.3 | 25 | -31.4 | 0 | 0 | 0 | 115 | P42 | P42-P44 VanDerWaalsContact O-CD 3.29Å; P42-P44 WeakPolarHBondContact O-CD 3.39Å |
| 45 | R | 52.4 | Low | 57.6 | Low | 154 Ų | 154 | 114.1 Ų | 114.1 | 58% | 0.581 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141 | 23.9 | -161.7 | -61.5 | -173.7 | -177.8 | -170.4 | -1.3 | 116.8 | Q43 L47 D95 | Q43-R45 PolarHBondContact O-N 3.17Å; R45-L47 PolarHBondContact O-N 3.41Å; R45-D95 IonicContact NH2-OD2 3.15Å |
| 46 | S | 60.3 | Low | 59 | Low | 102 Ų | 102 | 114.3 Ų | 114.3 | 71% | 0.713 | 61% | 0.611 | S | S | * | * | trans | -69.5 | 83.8 | 177.3 | 53.9 | 0 | 0 | 0 | 0 | 112.6 | K128 | S46-K128 PolarHBondContact O-NZ 3.34Š| ||
| 47 | L | 61.5 | Low | 60.7 | Low | 47 Ų | 47 | 104.8 Ų | 104.8 | 25% | 0.246 | 58% | 0.575 | C | S | . | * | P | Polyproline II helix | trans | -63.8 | 137.1 | 172.6 | -66.8 | 175.8 | 0 | 0 | 0 | 108.1 | R45 S49 L51 F97 K128 | R45-L47 PolarHBondContact O-N 3.41Å; L47-S49 PolarHBondContact O-N 2.87Å; L47-L51 HydrophobicContact CB-CD1 3.8Å; L47-L51 HydrophobicContact CB-CD2 3.65Å; L47-L51 HydrophobicContact CB-CG 4.18Å; L47-L51 HydrophobicContact CD1-CD1 3.61Å; L47-L51 HydrophobicContact CD1-CD2 4.49Å; L47-L51 HydrophobicContact CG-CD1 4.33Å; L47-L51 HydrophobicContact CG-CD2 4.48Å; L47-F97 HydrophobicContact CD1-CB 4.16Å; L47-F97 HydrophobicContact CD1-CD1 4.44Å; L47-F97 HydrophobicContact CD1-CD2 3.35Å; L47-F97 HydrophobicContact CD1-CE2 3.75Å; L47-F97 HydrophobicContact CD1-CG 3.73Å; L47-F97 HydrophobicContact CD1-CZ 4.47Å; L47-F97 HydrophobicContact CD2-CB 4.47Å; L47-K128 VanDerWaalsContact CA-NZ 3.27Å; L47-K128 HydrophobicContact CD2-CB 4.33Å; L47-K128 HydrophobicContact CD2-CD 3.43Å; L47-K128 VanDerWaalsContact CD2-CD 3.43Å; L47-K128 HydrophobicContact CD2-CG 4.06Å; L47-K128 HydrophobicContact CG-CD 4.44Å |
| 48 | P | 58.8 | Low | 62.5 | Low | 57 Ų | 57 | 100.8 Ų | 100.8 | 37% | 0.37 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -67.4 | 122.4 | -178 | 27.2 | -33.9 | 0 | 0 | 0 | 110.7 | P50 L51 I122 | P48-P50 CarbonylContact O-C 3.6Å; P48-L51 HydrophobicContact CG-CD2 4.15Å; P48-L51 WeakPolarHBondContact O-CD2 3.38Å; P48-L51 WeakPolarHBondContact O-CG 3.49Å; P48-L51 PolarHBondContact O-N 3.21Å; P48-I122 HydrophobicContact CG-CG2 3.84Å |
| 49 | S | 54.2 | Low | 64.4 | Low | 116 Ų | 116 | 99 Ų | 99 | 81% | 0.811 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -87.8 | 139.7 | 172.5 | 40.9 | 0 | 0 | 0 | 0 | 111 | L47 | L47-S49 PolarHBondContact O-N 2.87Š|
| 50 | P | 67.8 | Low | 66.2 | Low | 114 Ų | 114 | 98.5 Ų | 98.5 | 74% | 0.74 | 54% | 0.54 | S | S | * | . | S | Bend | cis | -77.2 | 136 | -8.7 | 31.4 | -32.5 | 0 | 0 | 0 | 111.8 | P48 | P48-P50 CarbonylContact O-C 3.6Š|
| 51 | L | 68 | Low | 67.9 | Low | 39 Ų | 39 | 94.3 Ų | 94.3 | 20% | 0.204 | 51% | 0.505 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 139.6 | 176.4 | -68.6 | 166.6 | 0 | 0 | 0 | 110.1 | L47 P48 T53 F97 I122 | L47-L51 HydrophobicContact CB-CD1 3.8Å; L47-L51 HydrophobicContact CB-CD2 3.65Å; L47-L51 HydrophobicContact CB-CG 4.18Å; L47-L51 HydrophobicContact CD1-CD1 3.61Å; L47-L51 HydrophobicContact CD1-CD2 4.49Å; L47-L51 HydrophobicContact CG-CD1 4.33Å; L47-L51 HydrophobicContact CG-CD2 4.48Å; P48-L51 HydrophobicContact CG-CD2 4.15Å; P48-L51 WeakPolarHBondContact O-CD2 3.38Å; P48-L51 WeakPolarHBondContact O-CG 3.49Å; P48-L51 PolarHBondContact O-N 3.21Å; L51-T53 PolarHBondContact O-N 2.88Å; L51-F97 HydrophobicContact CB-CE1 4.31Å; L51-F97 HydrophobicContact CD1-CD1 4.25Å; L51-F97 HydrophobicContact CD1-CE1 3.64Å; L51-F97 HydrophobicContact CD1-CE2 3.94Å; L51-F97 HydrophobicContact CD1-CZ 3.46Å; L51-F97 VanDerWaalsContact CD1-CZ 3.46Å; L51-F97 HydrophobicContact CG-CE1 4.49Å; L51-I122 HydrophobicContact CD2-CD1 3.81Å; L51-I122 HydrophobicContact CD2-CG2 4.46Å |
| 52 | P | 73.1 | Confident | 69.6 | Low | 15 Ų | 15 | 92.3 Ų | 92.3 | 10% | 0.097 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 128.3 | 172.3 | -18.2 | 28.7 | 0 | 0 | 0 | 109.3 | I122 Q130 | P52-I122 VanDerWaalsContact CD-CG2 3.42Å; P52-I122 HydrophobicContact CG-CB 4.33Å; P52-I122 HydrophobicContact CG-CG1 4.35Å; P52-I122 HydrophobicContact CG-CG2 3.69Å; P52-Q130 PolarHBondContact O-NE2 3Å; P52-Q130 PolarHBondContact O-OE1 2.96Å; P52-Q130 VanDerWaalsContact O-OE1 3.05Å |
| 53 | T | 79.3 | Confident | 71.9 | Confident | 32 Ų | 32 | 89.1 Ų | 89.1 | 20% | 0.196 | 47% | 0.469 | C | S | . | . | trans | -106.2 | 167.5 | 168 | 64.1 | 0 | 0 | 0 | 0 | 108.3 | L51 R55 N56 R57 H99 | L51-T53 PolarHBondContact O-N 2.88Å; T53-R55 PolarHBondContact O-N 2.81Å; T53-N56 PolarHBondContact O-N 2.95Å; T53-R57 WeakPolarHBondContact O-CB 3.43Å; T53-R57 PolarHBondContact O-N 2.8Å; T53-H99 VanDerWaalsContact CG2-CE1 3.49Å; T53-H99 WeakPolarHBondContact CG2-CE1 3.45Å | ||
| 54 | K | 74.9 | Confident | 73.7 | Confident | 110 Ų | 110 | 90.1 Ų | 90.1 | 48% | 0.478 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | -37.1 | 173.8 | -173 | 172.1 | 179.2 | 172.2 | 0 | 113.8 | S101 D102 E104 | K54-S101 WeakPolarHBondContact CB-O 2.79Å; K54-S101 WeakPolarHBondContact CD-O 3.38Å; K54-D102 PolarHBondContact N-OD2 2.9Å; K54-E104 IonicContact NZ-OE1 2.75Å |
| 55 | R | 75.4 | Confident | 75.7 | Confident | 231 Ų | 231 | 85 Ų | 85 | 87% | 0.872 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -28.7 | -179.6 | -66.3 | -178.2 | -178.9 | 149.9 | 0.5 | 114.4 | T53 | T53-R55 PolarHBondContact O-N 2.81Š|
| 56 | N | 77.5 | Confident | 77.5 | Confident | 124 Ų | 124 | 80.4 Ų | 80.4 | 66% | 0.663 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 5.2 | -174.3 | -145.4 | 53.5 | 0 | 0 | 0 | 113.1 | T53 | T53-N56 PolarHBondContact O-N 2.95Š|
| 57 | R | 81.4 | Confident | 79 | Confident | 27 Ų | 27 | 80.3 Ų | 80.3 | 10% | 0.102 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -78.8 | 137.1 | 174.4 | -173.5 | 179.5 | -60.6 | 128.5 | 10.6 | 109.6 | T53 A61 D102 | T53-R57 WeakPolarHBondContact O-CB 3.43Å; T53-R57 PolarHBondContact O-N 2.8Å; R57-A61 HydrophobicContact CG-CB 3.71Å; R57-D102 IonicContact CZ-OD1 2.89Å; R57-D102 IonicContact NH1-OD1 3.12Å; R57-D102 PolarHBondContact NH1-OD1 3.21Å; R57-D102 VanDerWaalsContact NH2-CG 3.33Å; R57-D102 IonicContact NH2-OD1 2.85Å; R57-D102 PolarHBondContact NH2-OD1 3.08Å; R57-D102 IonicContact NH2-OD2 3.79Å; R57-D102 PolarHBondContact NH2-OD2 3.13Å; R57-D102 VanDerWaalsContact NH2-OD2 3.12Å |
| 58 | T | 84.8 | Confident | 80.4 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | trans | -64.7 | 146.2 | 177 | 59.5 | 0 | 0 | 0 | 0 | 111.3 | S60 A61 T62 | T58-S60 VanDerWaalsContact C-N 3.27Å; T58-S60 PolarHBondContact O-N 3.15Å; T58-A61 WeakPolarHBondContact O-CB 3.48Å; T58-A61 PolarHBondContact O-N 3.4Å; T58-A61 VanDerWaalsContact OG1-CB 3.32Å; T58-A61 WeakPolarHBondContact OG1-CB 3.28Å; T58-A61 PolarHBondContact OG1-N 3.36Å; T58-T62 PolarHBondContact O-N 3.16Å; T58-T62 PolarHBondContact O-OG1 2.87Å | ||
| 59 | Y | 86.4 | Confident | 82.1 | Confident | 195 Ų | 195 | 80.9 Ų | 80.9 | 77% | 0.765 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -51.9 | -45.8 | 179.2 | 178.1 | -100.9 | 0 | 0 | 0 | 112.3 | A61 T62 V63 | Y59-A61 VanDerWaalsContact C-N 3.3Å; Y59-A61 PolarHBondContact O-N 2.8Å; Y59-T62 PolarHBondContact O-N 3.01Å; Y59-T62 VanDerWaalsContact O-N 3.16Å; Y59-V63 HydrophobicContact CD1-CG2 4.01Å; Y59-V63 HydrophobicContact CD2-CG2 4.34Å; Y59-V63 HydrophobicContact CE1-CG2 3.57Å; Y59-V63 HydrophobicContact CE2-CG2 3.93Å; Y59-V63 HydrophobicContact CG-CG2 4.38Å; Y59-V63 WeakPolarHBondContact O-CG2 3.15Å; Y59-V63 PolarHBondContact O-N 2.9Å |
| 60 | S | 88.1 | Confident | 84 | Confident | 68 Ų | 68 | 78.8 Ų | 78.8 | 48% | 0.476 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.7 | -29 | 178.2 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | T58 R64 | T58-S60 VanDerWaalsContact C-N 3.27Å; T58-S60 PolarHBondContact O-N 3.15Å; S60-R64 WeakPolarHBondContact O-CB 3.38Å; S60-R64 VanDerWaalsContact O-CG 3.26Å; S60-R64 WeakPolarHBondContact O-CG 3.29Å; S60-R64 PolarHBondContact O-N 3.09Å; S60-R64 PolarHBondContact O-NE 3.28Å |
| 61 | A | 87 | Confident | 85.4 | Confident | 3 Ų | 3 | 76.8 Ų | 76.8 | 3% | 0.025 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -74.4 | -37.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R57 T58 Y59 A65 | R57-A61 HydrophobicContact CG-CB 3.71Å; T58-A61 WeakPolarHBondContact O-CB 3.48Å; T58-A61 PolarHBondContact O-N 3.4Å; T58-A61 VanDerWaalsContact OG1-CB 3.32Å; T58-A61 WeakPolarHBondContact OG1-CB 3.28Å; T58-A61 PolarHBondContact OG1-N 3.36Å; Y59-A61 VanDerWaalsContact C-N 3.3Å; Y59-A61 PolarHBondContact O-N 2.8Å; A61-A65 WeakPolarHBondContact O-CB 3.35Å; A61-A65 PolarHBondContact O-N 2.79Å; A61-A65 VanDerWaalsContact O-N 3.13Å |
| 62 | T | 87.2 | Confident | 86.7 | Confident | 48 Ų | 48 | 81.5 Ų | 81.5 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.3 | -53 | 173.2 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | T58 Y59 R64 A65 T66 | T58-T62 PolarHBondContact O-N 3.16Å; T58-T62 PolarHBondContact O-OG1 2.87Å; Y59-T62 PolarHBondContact O-N 3.01Å; Y59-T62 VanDerWaalsContact O-N 3.16Å; T62-R64 VanDerWaalsContact C-N 3.32Å; T62-R64 PolarHBondContact O-N 2.77Å; T62-A65 PolarHBondContact O-N 3.48Å; T62-T66 PolarHBondContact O-N 3.44Å; T62-T66 PolarHBondContact O-OG1 2.95Å; T62-T66 VanDerWaalsContact O-OG1 3.07Å |
| 63 | V | 90.8 | Very high | 87.8 | Confident | 63 Ų | 63 | 80.9 Ų | 80.9 | 38% | 0.382 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.6 | -45.4 | -178.8 | 172.2 | 0 | 0 | 0 | 0 | 112 | Y59 A65 T66 S67 | Y59-V63 HydrophobicContact CD1-CG2 4.01Å; Y59-V63 HydrophobicContact CD2-CG2 4.34Å; Y59-V63 HydrophobicContact CE1-CG2 3.57Å; Y59-V63 HydrophobicContact CE2-CG2 3.93Å; Y59-V63 HydrophobicContact CG-CG2 4.38Å; Y59-V63 WeakPolarHBondContact O-CG2 3.15Å; Y59-V63 PolarHBondContact O-N 2.9Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.83Å; V63-T66 PolarHBondContact O-N 2.85Å; V63-S67 PolarHBondContact O-N 2.89Å; V63-S67 PolarHBondContact O-OG 2.95Å; V63-S67 VanDerWaalsContact O-OG 3.11Å |
| 64 | R | 90.4 | Very high | 88.7 | Confident | 159 Ų | 159 | 81.2 Ų | 81.2 | 60% | 0.6 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.2 | -35.7 | 177.6 | -73.4 | -178.9 | -64 | 161.9 | 1.8 | 113.2 | S60 T62 S67 G68 | S60-R64 WeakPolarHBondContact O-CB 3.38Å; S60-R64 VanDerWaalsContact O-CG 3.26Å; S60-R64 WeakPolarHBondContact O-CG 3.29Å; S60-R64 PolarHBondContact O-N 3.09Å; S60-R64 PolarHBondContact O-NE 3.28Å; T62-R64 VanDerWaalsContact C-N 3.32Å; T62-R64 PolarHBondContact O-N 2.77Å; R64-S67 PolarHBondContact O-OG 3.43Å; R64-G68 PolarHBondContact O-N 2.85Å |
| 65 | A | 90.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 76.1 Ų | 76.1 | 3% | 0.033 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -72.1 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | A61 T62 V63 S67 G68 K118 V132 | A61-A65 WeakPolarHBondContact O-CB 3.35Å; A61-A65 PolarHBondContact O-N 2.79Å; A61-A65 VanDerWaalsContact O-N 3.13Å; T62-A65 PolarHBondContact O-N 3.48Å; V63-A65 VanDerWaalsContact C-N 3.33Å; V63-A65 PolarHBondContact O-N 2.83Å; A65-S67 PolarHBondContact O-N 3.38Å; A65-G68 PolarHBondContact O-N 3.02Å; A65-G68 VanDerWaalsContact O-N 3.08Å; A65-K118 WeakPolarHBondContact O-CD 3.03Å; A65-V132 HydrophobicContact CB-CG2 3.68Å |
| 66 | T | 90.9 | Very high | 90.7 | Very high | 58 Ų | 58 | 69.6 Ų | 69.6 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 177.3 | -54.4 | 0 | 0 | 0 | 0 | 112.3 | T62 V63 G68 K118 E133 | T62-T66 PolarHBondContact O-N 3.44Å; T62-T66 PolarHBondContact O-OG1 2.95Å; T62-T66 VanDerWaalsContact O-OG1 3.07Å; V63-T66 PolarHBondContact O-N 2.85Å; T66-G68 PolarHBondContact O-N 2.61Å; T66-K118 PolarHBondContact O-NZ 2.6Å; T66-E133 VanDerWaalsContact CB-OE1 3.31Å; T66-E133 WeakPolarHBondContact CB-OE1 3.08Å; T66-E133 WeakPolarHBondContact CG2-OE1 3.38Å; T66-E133 PolarHBondContact OG1-OE1 3.35Å |
| 67 | S | 92 | Very high | 91.5 | Very high | 100 Ų | 100 | 66.2 Ų | 66.2 | 70% | 0.699 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6.8 | 175 | 66 | 0 | 0 | 0 | 0 | 113.9 | V63 R64 A65 | V63-S67 PolarHBondContact O-N 2.89Å; V63-S67 PolarHBondContact O-OG 2.95Å; V63-S67 VanDerWaalsContact O-OG 3.11Å; R64-S67 PolarHBondContact O-OG 3.43Å; A65-S67 PolarHBondContact O-N 3.38Å |
| 68 | G | 90.8 | Very high | 92.1 | Very high | 25 Ų | 25 | 66.5 Ų | 66.5 | 26% | 0.258 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -76.7 | 168 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | R64 A65 T66 | R64-G68 PolarHBondContact O-N 2.85Å; A65-G68 PolarHBondContact O-N 3.02Å; A65-G68 VanDerWaalsContact O-N 3.08Å; T66-G68 PolarHBondContact O-N 2.61Å |
| 69 | P | 93.9 | Very high | 92.5 | Very high | 90 Ų | 90 | 65 Ų | 65 | 58% | 0.584 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 145.2 | 175.5 | 26.2 | -33 | 0 | 0 | 0 | 111.6 | F71 | P69-F71 HydrophobicContact CB-CE2 4.24Å; P69-F71 HydrophobicContact CB-CZ 4.19Å; P69-F71 HydrophobicContact CG-CE2 3.74Å; P69-F71 HydrophobicContact CG-CZ 3.65Å; P69-F71 WeakPolarHBondContact O-CD2 3.03Å; P69-F71 WeakPolarHBondContact O-CE2 3.48Å |
| 70 | A | 94.3 | Very high | 92.7 | Very high | 73 Ų | 73 | 60.5 Ų | 60.5 | 60% | 0.603 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 137.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | K118 | A70-K118 HydrophobicContact CB-CG 4.47Å |
| 71 | F | 96.1 | Very high | 92.8 | Very high | 71 Ų | 71 | 63.1 Ų | 63.1 | 31% | 0.311 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 161.4 | 178.6 | -61.9 | -84.8 | 0 | 0 | 0 | 110.3 | P69 T116 Y117 V119 | P69-F71 HydrophobicContact CB-CE2 4.24Å; P69-F71 HydrophobicContact CB-CZ 4.19Å; P69-F71 HydrophobicContact CG-CE2 3.74Å; P69-F71 HydrophobicContact CG-CZ 3.65Å; P69-F71 WeakPolarHBondContact O-CD2 3.03Å; P69-F71 WeakPolarHBondContact O-CE2 3.48Å; F71-T116 VanDerWaalsContact O-CA 3.29Å; F71-T116 WeakPolarHBondContact O-CA 3.31Å; F71-Y117 HydrophobicContact CB-CD2 4.29Å; F71-Y117 HydrophobicContact CB-CE1 4.06Å; F71-Y117 HydrophobicContact CB-CE2 3.72Å; F71-Y117 HydrophobicContact CD2-CE2 4.39Å; F71-Y117 HydrophobicContact CG-CE2 4.35Å; F71-Y117 PolarHBondContact N-O 2.77Å; F71-Y117 PolarHBondContact O-N 3.27Å; F71-V119 HydrophobicContact CD2-CG2 3.73Å; F71-V119 HydrophobicContact CE2-CB 4.33Å; F71-V119 HydrophobicContact CE2-CG2 3.86Å |
| 72 | K | 96.8 | Very high | 93 | Very high | 138 Ų | 138 | 69 Ų | 69 | 60% | 0.6 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 148.4 | 172.8 | -65.7 | -175.3 | 178 | -172.4 | 0 | 109.7 | T90 V115 T116 | K72-T90 PolarHBondContact O-N 2.82Å; K72-T90 PolarHBondContact O-OG1 3.19Å; K72-V115 WeakPolarHBondContact CA-O 3.17Å; K72-T116 HydrophobicContact CG-CG2 4.02Å |
| 73 | G | 96.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.4 | -179.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R88 V115 | G73-R88 CarbonylContact C-O 3.51Å; G73-R88 WeakPolarHBondContact CA-O 3.32Å; G73-V115 PolarHBondContact N-O 2.82Å; G73-V115 PolarHBondContact O-N 3.46Å |
| 74 | V | 96.9 | Very high | 93.4 | Very high | 39 Ų | 39 | 67 Ų | 67 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.9 | 178.3 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | K76 R88 D113 | V74-K76 PolarHBondContact O-N 3.38Å; V74-R88 PolarHBondContact N-O 2.84Å; V74-R88 PolarHBondContact O-N 3.17Å; V74-D113 CarbonylContact C-O 3.56Å; V74-D113 VanDerWaalsContact CA-O 3.29Å; V74-D113 WeakPolarHBondContact CA-O 3.32Å |
| 75 | C | 96.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.027 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 121.6 | 173.3 | -169.9 | 0 | 0 | 0 | 0 | 109.1 | V110 E111 G112 D113 | C75-V110 VanDerWaalsContact CB-O 3.28Å; C75-V110 WeakPolarHBondContact CB-O 3.49Å; C75-E111 WeakPolarHBondContact O-CA 3.35Å; C75-G112 PolarHBondContact O-N 2.97Å; C75-D113 HydrophobicContact CB-CB 4.17Å; C75-D113 PolarHBondContact N-O 2.95Å |
| 76 | K | 95.4 | Very high | 93.8 | Very high | 93 Ų | 93 | 61.4 Ų | 61.4 | 40% | 0.404 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -43.5 | -178.9 | -179.1 | 175.5 | -174.9 | 169.3 | 0 | 111.4 | V74 F86 D95 | V74-K76 PolarHBondContact O-N 3.38Å; K76-F86 HydrophobicContact CB-CB 4.49Å; K76-F86 WeakPolarHBondContact CB-O 3.49Å; K76-F86 PolarHBondContact N-O 3.48Å; K76-D95 WeakPolarHBondContact CD-OD1 3.46Å; K76-D95 WeakPolarHBondContact CD-OD2 3.33Å; K76-D95 VanDerWaalsContact NZ-CG 3.29Å; K76-D95 IonicContact NZ-OD1 2.65Å; K76-D95 PolarHBondContact NZ-OD1 2.74Å; K76-D95 VanDerWaalsContact NZ-OD1 3.15Å; K76-D95 IonicContact NZ-OD2 3.59Å; K76-D95 PolarHBondContact NZ-OD2 2.96Å |
| 77 | S | 94.3 | Very high | 94.1 | Very high | 54 Ų | 54 | 58.8 Ų | 58.8 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 134.5 | -179 | 59 | 0 | 0 | 0 | 0 | 108.8 | G85 F86 | S77-G85 CarbonylContact O-C 3.51Å; S77-G85 WeakPolarHBondContact O-CA 3.49Å; S77-F86 PolarHBondContact N-O 2.79Å; S77-F86 PolarHBondContact O-N 3.21Å |
| 78 | F | 95.1 | Very high | 94.3 | Very high | 33 Ų | 33 | 60.9 Ų | 60.9 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 131.2 | 173.7 | -175.9 | -97.7 | 0 | 0 | 0 | 109.8 | R80 V98 I100 I103 V108 P109 W148 | F78-R80 HydrophobicContact CE1-CB 4.49Å; F78-V98 HydrophobicContact CD2-CG1 4.44Å; F78-I100 HydrophobicContact CZ-CB 4.03Å; F78-I100 HydrophobicContact CZ-CG1 4.19Å; F78-I103 HydrophobicContact CD2-CD1 3.93Å; F78-I103 HydrophobicContact CE2-CD1 3.3Å; F78-I103 HydrophobicContact CZ-CD1 3.69Å; F78-V108 HydrophobicContact CD1-CG1 3.92Å; F78-V108 HydrophobicContact CE1-CG1 3.88Å; F78-P109 HydrophobicContact CB-CB 4.31Å; F78-P109 WeakPolarHBondContact CB-O 3.23Å; F78-P109 HydrophobicContact CG-CB 4.3Å; F78-P109 HydrophobicContact CG-CG 4.45Å; F78-W148 AromaticContact CE1-CH2 3.68Å; F78-W148 HydrophobicContact CE1-CH2 3.68Å; F78-W148 HydrophobicContact CE1-CZ3 4.19Å; F78-W148 AromaticContact CZ-CH2 3.79Å; F78-W148 HydrophobicContact CZ-CH2 3.79Å; F78-W148 HydrophobicContact CZ-CZ3 4.46Å |
| 79 | C | 92.8 | Very high | 94.6 | Very high | 45 Ų | 45 | 60.4 Ų | 60.4 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 109.9 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | S81 Q82 G83 H84 | C79-S81 VanDerWaalsContact C-N 3.31Å; C79-S81 PolarHBondContact O-N 2.8Å; C79-Q82 HydrophobicContact CB-CB 4.02Å; C79-Q82 HydrophobicContact CB-CG 4.22Å; C79-Q82 CarbonylContact O-C 3.4Å; C79-Q82 PolarHBondContact O-N 3.34Å; C79-G83 PolarHBondContact O-N 3.42Å; C79-H84 PolarHBondContact N-O 3.33Å; C79-H84 PolarHBondContact O-N 2.93Å |
| 80 | R | 90.8 | Very high | 94.6 | Very high | 101 Ų | 101 | 60.8 Ų | 60.8 | 38% | 0.381 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -42.6 | 178.7 | -177.5 | 178.1 | -179.4 | -174.1 | 4.5 | 112.3 | F78 Q82 G83 V108 E146 W148 | F78-R80 HydrophobicContact CE1-CB 4.49Å; R80-Q82 VanDerWaalsContact C-N 3.32Å; R80-Q82 PolarHBondContact O-N 2.88Å; R80-G83 PolarHBondContact O-N 2.98Å; R80-V108 HydrophobicContact CB-CG1 4.48Å; R80-E146 IonicContact CZ-OE1 3.34Å; R80-E146 IonicContact NH1-OE1 3.59Å; R80-E146 PolarHBondContact NH1-OE1 3.33Å; R80-E146 IonicContact NH1-OE2 3.8Å; R80-E146 PolarHBondContact NH1-OE2 2.96Å; R80-W148 HydrophobicContact CG-CZ3 4.38Å; R80-W148 PolarHBondContact NH2-O 2.83Å |
| 81 | S | 89.9 | Confident | 94.4 | Very high | 123 Ų | 123 | 63.8 Ų | 63.8 | 86% | 0.86 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -36.6 | 179.8 | -49.7 | 0 | 0 | 0 | 0 | 112.6 | C79 | C79-S81 VanDerWaalsContact C-N 3.31Å; C79-S81 PolarHBondContact O-N 2.8Å |
| 82 | Q | 90.9 | Very high | 94 | Very high | 126 Ų | 126 | 62.5 Ų | 62.5 | 59% | 0.589 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -14.7 | 176.4 | -64.8 | -177 | -13.3 | 0 | 0 | 113.2 | C79 R80 H84 | C79-Q82 HydrophobicContact CB-CB 4.02Å; C79-Q82 HydrophobicContact CB-CG 4.22Å; C79-Q82 CarbonylContact O-C 3.4Å; C79-Q82 PolarHBondContact O-N 3.34Å; R80-Q82 VanDerWaalsContact C-N 3.32Å; R80-Q82 PolarHBondContact O-N 2.88Å; Q82-H84 VanDerWaalsContact C-N 3.29Å; Q82-H84 PolarHBondContact O-N 3.37Å; Q82-H84 PolarHBondContact O-ND1 3.49Å; Q82-H84 PolarHBondContact OE1-CE1 2.85Å |
| 83 | G | 92.3 | Very high | 93.6 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 9% | 0.093 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 18.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | C79 R80 I100 | C79-G83 PolarHBondContact O-N 3.42Å; R80-G83 PolarHBondContact O-N 2.98Å; G83-I100 WeakPolarHBondContact O-CB 3.07Å; G83-I100 WeakPolarHBondContact O-CG2 3.32Å; G83-I100 PolarHBondContact O-N 2.83Å |
| 84 | H | 93.7 | Very high | 93.4 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 168.1 | -179.1 | 67.2 | -90.7 | 0 | 0 | 0 | 113 | C79 Q82 F97 V98 | C79-H84 PolarHBondContact N-O 3.33Å; C79-H84 PolarHBondContact O-N 2.93Å; Q82-H84 VanDerWaalsContact C-N 3.29Å; Q82-H84 PolarHBondContact O-N 3.37Å; Q82-H84 PolarHBondContact O-ND1 3.49Å; Q82-H84 PolarHBondContact OE1-CE1 2.85Å; H84-F97 HydrophobicContact CB-CE2 3.57Å; H84-F97 HydrophobicContact CB-CZ 3.72Å; H84-F97 AromaticContact CD2-CE2 3.76Å; H84-F97 AromaticContact CG-CE2 3.85Å; H84-V98 VanDerWaalsContact CA-O 3.3Å; H84-V98 WeakPolarHBondContact CA-O 3.42Å; H84-V98 WeakPolarHBondContact CB-O 3.47Å |
| 85 | G | 94.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 65.8 Ų | 65.8 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | -164.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S77 V98 | S77-G85 CarbonylContact O-C 3.51Å; S77-G85 WeakPolarHBondContact O-CA 3.49Å; G85-V98 VanDerWaalsContact C-CG1 3.48Å; G85-V98 PolarHBondContact N-O 2.85Å; G85-V98 WeakPolarHBondContact O-CG1 3.29Å; G85-V98 PolarHBondContact O-N 3.18Å |
| 86 | F | 95.9 | Very high | 93.1 | Very high | 42 Ų | 42 | 65.9 Ų | 65.9 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 140.2 | -178.6 | -68.6 | -82.4 | 0 | 0 | 0 | 111.3 | K76 S77 D95 I96 F97 | K76-F86 HydrophobicContact CB-CB 4.49Å; K76-F86 WeakPolarHBondContact CB-O 3.49Å; K76-F86 PolarHBondContact N-O 3.48Å; S77-F86 PolarHBondContact N-O 2.79Å; S77-F86 PolarHBondContact O-N 3.21Å; F86-D95 HydrophobicContact CB-CB 4.19Å; F86-D95 HydrophobicContact CD1-CB 3.97Å; F86-D95 HydrophobicContact CG-CB 4.39Å; F86-I96 CarbonylContact C-O 3.58Å; F86-I96 VanDerWaalsContact CA-O 3.31Å; F86-I96 WeakPolarHBondContact CA-O 3.29Å; F86-F97 HydrophobicContact CE1-CB 4.36Å; F86-F97 HydrophobicContact CE1-CD2 4.31Å; F86-F97 HydrophobicContact CZ-CD2 4.36Å |
| 87 | I | 96.8 | Very high | 93 | Very high | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.015 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 131.5 | 174.9 | -62.8 | 164.7 | 0 | 0 | 0 | 108 | P89 I96 V98 V115 Y117 A131 V134 | I87-P89 WeakPolarHBondContact O-CD 3.5Å; I87-I96 PolarHBondContact N-O 3.42Å; I87-I96 PolarHBondContact O-N 3.37Å; I87-V98 HydrophobicContact CD1-CB 3.93Å; I87-V98 HydrophobicContact CD1-CG1 4.09Å; I87-V98 HydrophobicContact CD1-CG2 4.22Å; I87-V98 HydrophobicContact CG1-CB 4.37Å; I87-V98 HydrophobicContact CG1-CG1 4.04Å; I87-V115 HydrophobicContact CD1-CG2 3.9Å; I87-V115 HydrophobicContact CG1-CG2 4.09Å; I87-V115 HydrophobicContact CG2-CG2 3.7Å; I87-Y117 HydrophobicContact CD1-CD1 4.47Å; I87-Y117 HydrophobicContact CG2-CD1 4.06Å; I87-Y117 HydrophobicContact CG2-CE1 3.78Å; I87-A131 HydrophobicContact CD1-CB 3.73Å; I87-V134 HydrophobicContact CD1-CG1 3.84Å; I87-V134 HydrophobicContact CD1-CG2 4.13Å |
| 88 | R | 96.5 | Very high | 93.1 | Very high | 144 Ų | 144 | 59.3 Ų | 59.3 | 54% | 0.543 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 116.1 | 172.1 | -173.3 | 171.8 | 64.8 | -175.7 | -1 | 109.1 | G73 V74 | G73-R88 CarbonylContact C-O 3.51Å; G73-R88 WeakPolarHBondContact CA-O 3.32Å; V74-R88 PolarHBondContact N-O 2.84Å; V74-R88 PolarHBondContact O-N 3.17Å |
| 89 | P | 96.5 | Very high | 93 | Very high | 14 Ų | 14 | 59.6 Ų | 59.6 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 141.3 | 177.4 | 23.9 | -33.2 | 0 | 0 | 0 | 111.6 | I87 N91 G92 D94 I96 Y117 | I87-P89 WeakPolarHBondContact O-CD 3.5Å; P89-N91 VanDerWaalsContact C-N 3.25Å; P89-N91 PolarHBondContact O-N 3.27Å; P89-G92 WeakPolarHBondContact CG-O 3.3Å; P89-G92 PolarHBondContact O-N 3.12Å; P89-D94 WeakPolarHBondContact CD-O 3.3Å; P89-I96 HydrophobicContact CB-CD1 4.37Å; P89-I96 HydrophobicContact CG-CD1 4.49Å; P89-Y117 WeakPolarHBondContact CB-OH 3.29Å |
| 90 | T | 95 | Very high | 93.1 | Very high | 98 Ų | 98 | 59.9 Ų | 59.9 | 60% | 0.601 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -30.5 | 174.7 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | K72 G92 | K72-T90 PolarHBondContact O-N 2.82Å; K72-T90 PolarHBondContact O-OG1 3.19Å; T90-G92 PolarHBondContact O-N 2.83Å; T90-G92 VanDerWaalsContact O-N 3.17Å |
| 91 | N | 89.2 | Confident | 93.2 | Very high | 136 Ų | 136 | 56.9 Ų | 56.9 | 73% | 0.727 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -0.1 | 176.1 | -62.8 | 79.3 | 0 | 0 | 0 | 113.7 | P89 | P89-N91 VanDerWaalsContact C-N 3.25Å; P89-N91 PolarHBondContact O-N 3.27Å |
| 92 | G | 86.9 | Confident | 93.4 | Very high | 45 Ų | 45 | 51.1 Ų | 51.1 | 46% | 0.464 | 29% | 0.29 | S | S | . | . | trans | 75.8 | 179.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P89 T90 | P89-G92 WeakPolarHBondContact CG-O 3.3Å; P89-G92 PolarHBondContact O-N 3.12Å; T90-G92 PolarHBondContact O-N 2.83Å; T90-G92 VanDerWaalsContact O-N 3.17Å | ||
| 93 | G | 89.1 | Confident | 93.6 | Very high | 69 Ų | 69 | 46 Ų | 46 | 71% | 0.711 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 105.2 | -164.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 94 | D | 91.4 | Very high | 93.6 | Very high | 141 Ų | 141 | 48.4 Ų | 48.4 | 75% | 0.754 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -70.8 | 149.1 | -177.7 | -69.4 | -63.8 | 0 | 0 | 0 | 112.8 | P89 I96 | P89-D94 WeakPolarHBondContact CD-O 3.3Å; D94-I96 PolarHBondContact O-N 3.34Å |
| 95 | D | 94.1 | Very high | 93.5 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 20% | 0.203 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 132 | 172.9 | -62.4 | -34.8 | 0 | 0 | 0 | 110.3 | R45 K76 F86 | R45-D95 IonicContact NH2-OD2 3.15Å; K76-D95 WeakPolarHBondContact CD-OD1 3.46Å; K76-D95 WeakPolarHBondContact CD-OD2 3.33Å; K76-D95 VanDerWaalsContact NZ-CG 3.29Å; K76-D95 IonicContact NZ-OD1 2.65Å; K76-D95 PolarHBondContact NZ-OD1 2.74Å; K76-D95 VanDerWaalsContact NZ-OD1 3.15Å; K76-D95 IonicContact NZ-OD2 3.59Å; K76-D95 PolarHBondContact NZ-OD2 2.96Å; F86-D95 HydrophobicContact CB-CB 4.19Å; F86-D95 HydrophobicContact CD1-CB 3.97Å; F86-D95 HydrophobicContact CG-CB 4.39Å |
| 96 | I | 94.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 128.8 | -176.3 | -53.3 | -178.7 | 0 | 0 | 0 | 109.2 | F86 I87 P89 D94 Y117 V119 I129 A131 | F86-I96 CarbonylContact C-O 3.58Å; F86-I96 VanDerWaalsContact CA-O 3.31Å; F86-I96 WeakPolarHBondContact CA-O 3.29Å; I87-I96 PolarHBondContact N-O 3.42Å; I87-I96 PolarHBondContact O-N 3.37Å; P89-I96 HydrophobicContact CB-CD1 4.37Å; P89-I96 HydrophobicContact CG-CD1 4.49Å; D94-I96 PolarHBondContact O-N 3.34Å; I96-Y117 HydrophobicContact CD1-CD2 4.49Å; I96-Y117 HydrophobicContact CD1-CE2 3.42Å; I96-Y117 VanDerWaalsContact CD1-CE2 3.42Å; I96-Y117 VanDerWaalsContact CD1-OH 3.3Å; I96-Y117 WeakPolarHBondContact CD1-OH 3.33Å; I96-V119 HydrophobicContact CD1-CG2 4.47Å; I96-I129 HydrophobicContact CD1-CD1 3.82Å; I96-I129 HydrophobicContact CG1-CD1 3.64Å; I96-I129 HydrophobicContact CG1-CG1 4.22Å; I96-I129 HydrophobicContact CG2-CD1 4.34Å; I96-I129 HydrophobicContact CG2-CG1 4.16Å; I96-A131 HydrophobicContact CG2-CB 3.8Å |
| 97 | F | 93.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 134.8 | 177.4 | 176.7 | -104 | 0 | 0 | 0 | 111.2 | L47 L51 H84 F86 H99 Q130 A131 | L47-F97 HydrophobicContact CD1-CB 4.16Å; L47-F97 HydrophobicContact CD1-CD1 4.44Å; L47-F97 HydrophobicContact CD1-CD2 3.35Å; L47-F97 HydrophobicContact CD1-CE2 3.75Å; L47-F97 HydrophobicContact CD1-CG 3.73Å; L47-F97 HydrophobicContact CD1-CZ 4.47Å; L47-F97 HydrophobicContact CD2-CB 4.47Å; L51-F97 HydrophobicContact CB-CE1 4.31Å; L51-F97 HydrophobicContact CD1-CD1 4.25Å; L51-F97 HydrophobicContact CD1-CE1 3.64Å; L51-F97 HydrophobicContact CD1-CE2 3.94Å; L51-F97 HydrophobicContact CD1-CZ 3.46Å; L51-F97 VanDerWaalsContact CD1-CZ 3.46Å; L51-F97 HydrophobicContact CG-CE1 4.49Å; H84-F97 HydrophobicContact CB-CE2 3.57Å; H84-F97 HydrophobicContact CB-CZ 3.72Å; H84-F97 AromaticContact CD2-CE2 3.76Å; H84-F97 AromaticContact CG-CE2 3.85Å; F86-F97 HydrophobicContact CE1-CB 4.36Å; F86-F97 HydrophobicContact CE1-CD2 4.31Å; F86-F97 HydrophobicContact CZ-CD2 4.36Å; F97-H99 HydrophobicContact CE1-CB 4.15Å; F97-H99 HydrophobicContact CZ-CB 4.46Å; F97-Q130 HydrophobicContact CD1-CG 4.11Å; F97-Q130 CarbonylContact O-C 3.53Å; F97-Q130 WeakPolarHBondContact O-CA 3.39Å; F97-A131 PolarHBondContact O-N 3.5Å |
| 98 | V | 94.7 | Very high | 93 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 139.4 | 172.9 | 60.1 | 0 | 0 | 0 | 0 | 110.4 | F78 H84 G85 I87 I103 A131 V134 | F78-V98 HydrophobicContact CD2-CG1 4.44Å; H84-V98 VanDerWaalsContact CA-O 3.3Å; H84-V98 WeakPolarHBondContact CA-O 3.42Å; H84-V98 WeakPolarHBondContact CB-O 3.47Å; G85-V98 VanDerWaalsContact C-CG1 3.48Å; G85-V98 PolarHBondContact N-O 2.85Å; G85-V98 WeakPolarHBondContact O-CG1 3.29Å; G85-V98 PolarHBondContact O-N 3.18Å; I87-V98 HydrophobicContact CD1-CB 3.93Å; I87-V98 HydrophobicContact CD1-CG1 4.09Å; I87-V98 HydrophobicContact CD1-CG2 4.22Å; I87-V98 HydrophobicContact CG1-CB 4.37Å; I87-V98 HydrophobicContact CG1-CG1 4.04Å; V98-I103 HydrophobicContact CG2-CD1 3.91Å; V98-I103 HydrophobicContact CG2-CG1 3.71Å; V98-A131 HydrophobicContact CB-CB 4.19Å; V98-A131 HydrophobicContact CG2-CB 4.46Å; V98-V134 HydrophobicContact CG2-CB 4.48Å; V98-V134 HydrophobicContact CG2-CG2 3.76Å |
| 99 | H | 94.6 | Very high | 92.9 | Very high | 38 Ų | 38 | 50.2 Ų | 50.2 | 18% | 0.176 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 146.4 | 174.3 | -170.6 | -96.3 | 0 | 0 | 0 | 110 | T53 F97 S101 D102 | T53-H99 VanDerWaalsContact CG2-CE1 3.49Å; T53-H99 WeakPolarHBondContact CG2-CE1 3.45Å; F97-H99 HydrophobicContact CE1-CB 4.15Å; F97-H99 HydrophobicContact CZ-CB 4.46Å; H99-S101 PolarHBondContact CE1-OG 2.87Å; H99-S101 WeakPolarHBondContact ND1-CB 3.39Å; H99-S101 PolarHBondContact ND1-N 2.8Å; H99-S101 PolarHBondContact ND1-OG 2.98Å; H99-S101 VanDerWaalsContact ND1-OG 3.08Å; H99-S101 PolarHBondContact O-N 2.79Å; H99-S101 VanDerWaalsContact O-N 3.13Å; H99-D102 PolarHBondContact O-N 2.69Å |
| 100 | I | 94 | Very high | 92.8 | Very high | 51 Ų | 51 | 51.1 Ų | 51.1 | 26% | 0.262 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -51.6 | -38.4 | 179.5 | -172.8 | 168.5 | 0 | 0 | 0 | 112.8 | F78 G83 D102 I103 W148 | F78-I100 HydrophobicContact CZ-CB 4.03Å; F78-I100 HydrophobicContact CZ-CG1 4.19Å; G83-I100 WeakPolarHBondContact O-CB 3.07Å; G83-I100 WeakPolarHBondContact O-CG2 3.32Å; G83-I100 PolarHBondContact O-N 2.83Å; I100-D102 PolarHBondContact O-N 2.79Å; I100-I103 PolarHBondContact O-N 2.88Å; I100-W148 HydrophobicContact CD1-CE3 4Å; I100-W148 HydrophobicContact CD1-CH2 3.78Å; I100-W148 HydrophobicContact CD1-CZ3 3.32Å; I100-W148 HydrophobicContact CG1-CH2 3.66Å; I100-W148 HydrophobicContact CG1-CZ2 4.35Å; I100-W148 HydrophobicContact CG1-CZ3 3.75Å |
| 101 | S | 93.4 | Very high | 92.8 | Very high | 38 Ų | 38 | 52.7 Ų | 52.7 | 27% | 0.266 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -67.5 | -17.9 | 179.4 | -47.5 | 0 | 0 | 0 | 0 | 114.5 | K54 H99 | K54-S101 WeakPolarHBondContact CB-O 2.79Å; K54-S101 WeakPolarHBondContact CD-O 3.38Å; H99-S101 PolarHBondContact CE1-OG 2.87Å; H99-S101 WeakPolarHBondContact ND1-CB 3.39Å; H99-S101 PolarHBondContact ND1-N 2.8Å; H99-S101 PolarHBondContact ND1-OG 2.98Å; H99-S101 VanDerWaalsContact ND1-OG 3.08Å; H99-S101 PolarHBondContact O-N 2.79Å; H99-S101 VanDerWaalsContact O-N 3.13Å |
| 102 | D | 94.4 | Very high | 93 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -96.8 | -3.7 | 179 | -75.1 | -77.4 | 0 | 0 | 0 | 112.4 | K54 R57 H99 I100 E133 V134 | K54-D102 PolarHBondContact N-OD2 2.9Å; R57-D102 IonicContact CZ-OD1 2.89Å; R57-D102 IonicContact NH1-OD1 3.12Å; R57-D102 PolarHBondContact NH1-OD1 3.21Å; R57-D102 VanDerWaalsContact NH2-CG 3.33Å; R57-D102 IonicContact NH2-OD1 2.85Å; R57-D102 PolarHBondContact NH2-OD1 3.08Å; R57-D102 IonicContact NH2-OD2 3.79Å; R57-D102 PolarHBondContact NH2-OD2 3.13Å; R57-D102 VanDerWaalsContact NH2-OD2 3.12Å; H99-D102 PolarHBondContact O-N 2.69Å; I100-D102 PolarHBondContact O-N 2.79Å; D102-E133 PolarHBondContact O-N 2.81Å; D102-V134 PolarHBondContact O-N 3.15Å |
| 103 | I | 94.4 | Very high | 93.4 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 9% | 0.087 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 132.6 | 174.4 | -64.3 | 157.6 | 0 | 0 | 0 | 109.2 | F78 V98 I100 P109 V134 W148 | F78-I103 HydrophobicContact CD2-CD1 3.93Å; F78-I103 HydrophobicContact CE2-CD1 3.3Å; F78-I103 HydrophobicContact CZ-CD1 3.69Å; V98-I103 HydrophobicContact CG2-CD1 3.91Å; V98-I103 HydrophobicContact CG2-CG1 3.71Å; I100-I103 PolarHBondContact O-N 2.88Å; I103-P109 HydrophobicContact CD1-CG 3.61Å; I103-P109 HydrophobicContact CG1-CG 4.22Å; I103-P109 HydrophobicContact CG2-CG 3.91Å; I103-V134 HydrophobicContact CG1-CB 4.16Å; I103-V134 HydrophobicContact CG1-CG1 4.47Å; I103-W148 HydrophobicContact CB-CZ2 4.42Å; I103-W148 HydrophobicContact CG2-CZ2 3.96Å |
| 104 | E | 92.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 46.7 Ų | 46.7 | 29% | 0.285 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 153.9 | 176.9 | -55.2 | -165.2 | 151.8 | 0 | 0 | 110.2 | K54 V134 K135 | K54-E104 IonicContact NZ-OE1 2.75Å; E104-V134 PolarHBondContact N-O 3.01Å; E104-K135 HydrophobicContact CB-CG 4.12Å; E104-K135 WeakPolarHBondContact OE2-CE 3.18Å; E104-K135 IonicContact OE2-NZ 3.72Å |
| 105 | G | 90.8 | Very high | 94 | Very high | 57 Ų | 57 | 40.1 Ų | 40.1 | 59% | 0.588 | 22% | 0.219 | S | C | * | . | S | Bend | trans | 99.5 | -179.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | W148 | G105-W148 PolarHBondContact O-NE1 3.19Å; G105-W148 VanDerWaalsContact O-NE1 3.12Å |
| 106 | E | 90.9 | Very high | 94.2 | Very high | 142 Ų | 142 | 40.2 Ų | 40.2 | 66% | 0.664 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -93.7 | -20.7 | -171.7 | -62.3 | -179.5 | 133.9 | 0 | 0 | 112.9 | T147 W148 | E106-T147 CarbonylContact O-C 3.4Å; E106-T147 WeakPolarHBondContact O-CA 3.46Å; E106-T147 VanDerWaalsContact O-CB 3.23Å; E106-T147 WeakPolarHBondContact O-CB 3.4Å; E106-W148 VanDerWaalsContact C-CD1 3.46Å; E106-W148 PolarHBondContact O-N 3.38Å |
| 107 | Y | 92.1 | Very high | 94.3 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 29% | 0.29 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -87 | 141.1 | -175.5 | -60.2 | -84.5 | 0 | 0 | 0 | 112.3 | L139 H145 T147 W148 I153 | Y107-L139 HydrophobicContact CD1-CD1 4.17Å; Y107-L139 HydrophobicContact CD1-CD2 4.15Å; Y107-L139 HydrophobicContact CD2-CD2 4.46Å; Y107-L139 HydrophobicContact CE1-CD1 3.88Å; Y107-L139 HydrophobicContact CE2-CD1 4.4Å; Y107-L139 HydrophobicContact CG-CD2 4.02Å; Y107-H145 HydrophobicContact CD1-CB 4.23Å; Y107-T147 HydrophobicContact CD1-CG2 4.27Å; Y107-T147 HydrophobicContact CE1-CG2 4.39Å; Y107-W148 PolarHBondContact O-NE1 2.89Å; Y107-I153 HydrophobicContact CD1-CD1 4.35Å; Y107-I153 HydrophobicContact CE1-CD1 3.42Å; Y107-I153 VanDerWaalsContact CE1-CD1 3.42Å |
| 108 | V | 93.7 | Very high | 94.4 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 122.4 | 167.3 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | F78 R80 V110 E146 W148 | F78-V108 HydrophobicContact CD1-CG1 3.92Å; F78-V108 HydrophobicContact CE1-CG1 3.88Å; R80-V108 HydrophobicContact CB-CG1 4.48Å; V108-V110 PolarHBondContact O-N 3.49Å; V108-E146 WeakPolarHBondContact CB-O 3.48Å; V108-E146 HydrophobicContact CG2-CB 4.27Å; V108-E146 WeakPolarHBondContact CG2-O 3.39Å; V108-E146 PolarHBondContact N-O 2.85Å; V108-W148 HydrophobicContact CB-CH2 4.29Å; V108-W148 HydrophobicContact CB-CZ3 4.3Å; V108-W148 HydrophobicContact CG1-CH2 4.08Å; V108-W148 HydrophobicContact CG1-CZ3 4.1Å; V108-W148 HydrophobicContact CG2-CD2 3.97Å; V108-W148 HydrophobicContact CG2-CE3 3.63Å; V108-W148 HydrophobicContact CG2-CH2 4.15Å; V108-W148 HydrophobicContact CG2-CZ2 4.47Å; V108-W148 HydrophobicContact CG2-CZ3 3.72Å |
| 109 | P | 94.4 | Very high | 94.3 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 5% | 0.045 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 135.1 | 179.1 | -21.1 | 30.3 | 0 | 0 | 0 | 111.6 | F78 I103 I136 | F78-P109 HydrophobicContact CB-CB 4.31Å; F78-P109 WeakPolarHBondContact CB-O 3.23Å; F78-P109 HydrophobicContact CG-CB 4.3Å; F78-P109 HydrophobicContact CG-CG 4.45Å; I103-P109 HydrophobicContact CD1-CG 3.61Å; I103-P109 HydrophobicContact CG1-CG 4.22Å; I103-P109 HydrophobicContact CG2-CG 3.91Å; P109-I136 HydrophobicContact CB-CD1 4.34Å; P109-I136 HydrophobicContact CG-CD1 4.09Å |
| 110 | V | 94.5 | Very high | 94.2 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 19% | 0.194 | 23% | 0.234 | C | C | . | . | trans | -116.9 | 157.8 | 175.2 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | C75 V108 G112 D113 T143 | C75-V110 VanDerWaalsContact CB-O 3.28Å; C75-V110 WeakPolarHBondContact CB-O 3.49Å; V108-V110 PolarHBondContact O-N 3.49Å; V110-G112 PolarHBondContact O-N 2.92Å; V110-D113 PolarHBondContact N-OD2 3.12Å; V110-D113 WeakPolarHBondContact O-CB 3.44Å; V110-D113 VanDerWaalsContact O-CG 3.3Å; V110-D113 PolarHBondContact O-N 3.4Å; V110-D113 VanDerWaalsContact O-N 3.15Å; V110-T143 HydrophobicContact CB-CG2 4.41Å; V110-T143 HydrophobicContact CG1-CG2 3.52Å | ||
| 111 | E | 94.8 | Very high | 93.9 | Very high | 131 Ų | 131 | 48.1 Ų | 48.1 | 61% | 0.612 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 133 | 174.3 | 62.5 | -178.6 | -179.1 | 0 | 0 | 111.5 | C75 N140 | C75-E111 WeakPolarHBondContact O-CA 3.35Å; E111-N140 PolarHBondContact O-ND2 3.07Å |
| 112 | G | 94.8 | Very high | 93.5 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -9.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | C75 V110 E114 | C75-G112 PolarHBondContact O-N 2.97Å; V110-G112 PolarHBondContact O-N 2.92Å; G112-E114 PolarHBondContact O-N 3.23Å |
| 113 | D | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -66 | 133.5 | 177.4 | -72.8 | -14 | 0 | 0 | 0 | 111.9 | V74 C75 V110 V115 I136 N140 H145 | V74-D113 CarbonylContact C-O 3.56Å; V74-D113 VanDerWaalsContact CA-O 3.29Å; V74-D113 WeakPolarHBondContact CA-O 3.32Å; C75-D113 HydrophobicContact CB-CB 4.17Å; C75-D113 PolarHBondContact N-O 2.95Å; V110-D113 PolarHBondContact N-OD2 3.12Å; V110-D113 WeakPolarHBondContact O-CB 3.44Å; V110-D113 VanDerWaalsContact O-CG 3.3Å; V110-D113 PolarHBondContact O-N 3.4Å; V110-D113 VanDerWaalsContact O-N 3.15Å; D113-V115 HydrophobicContact CB-CG1 4.47Å; D113-I136 HydrophobicContact CB-CG2 4.25Å; D113-N140 WeakPolarHBondContact OD1-CB 3.2Å; D113-N140 PolarHBondContact OD1-N 2.89Å; D113-H145 IonicContact OD1-CE1 2.61Å; D113-H145 PolarHBondContact OD1-CE1 2.85Å; D113-H145 IonicContact OD1-NE2 3.93Å; D113-H145 IonicContact OD2-CE1 3.99Å; D113-H145 IonicContact OD2-ND1 2.95Å | ||
| 114 | E | 96.1 | Very high | 91.8 | Very high | 95 Ų | 95 | 53.8 Ų | 53.8 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 126.1 | 171.8 | -61.4 | -168.9 | -178.6 | 0 | 0 | 109.8 | G112 V137 H138 | G112-E114 PolarHBondContact O-N 3.23Å; E114-V137 PolarHBondContact O-N 3.48Å; E114-H138 HydrophobicContact CB-CB 3.98Å; E114-H138 HydrophobicContact CG-CB 4.21Å; E114-H138 PolarHBondContact N-O 3.39Å; E114-H138 PolarHBondContact O-N 3.08Å; E114-H138 IonicContact OE2-CE1 3.09Å; E114-H138 IonicContact OE2-CG 3.77Å; E114-H138 IonicContact OE2-ND1 2.74Å; E114-H138 PolarHBondContact OE2-ND1 3.31Å |
| 115 | V | 97 | Very high | 90.9 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.3 | -176.6 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | K72 G73 I87 D113 Y117 V134 K135 I136 | K72-V115 WeakPolarHBondContact CA-O 3.17Å; G73-V115 PolarHBondContact N-O 2.82Å; G73-V115 PolarHBondContact O-N 3.46Å; I87-V115 HydrophobicContact CD1-CG2 3.9Å; I87-V115 HydrophobicContact CG1-CG2 4.09Å; I87-V115 HydrophobicContact CG2-CG2 3.7Å; D113-V115 HydrophobicContact CB-CG1 4.47Å; V115-Y117 HydrophobicContact CG2-CD1 4.29Å; V115-V134 HydrophobicContact CB-CG1 3.98Å; V115-V134 HydrophobicContact CG1-CG1 4.29Å; V115-V134 HydrophobicContact CG2-CG1 4.28Å; V115-K135 CarbonylContact C-O 3.43Å; V115-K135 VanDerWaalsContact CA-O 3.29Å; V115-K135 WeakPolarHBondContact CA-O 3.33Å; V115-I136 HydrophobicContact CG1-CB 4.46Å; V115-I136 HydrophobicContact CG1-CG1 3.93Å |
| 116 | T | 97 | Very high | 90.4 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 141.1 | 163.8 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | F71 K72 V134 K135 V137 | F71-T116 VanDerWaalsContact O-CA 3.29Å; F71-T116 WeakPolarHBondContact O-CA 3.31Å; K72-T116 HydrophobicContact CG-CG2 4.02Å; T116-V134 CarbonylContact O-C 3.58Å; T116-V134 WeakPolarHBondContact O-CA 3.34Å; T116-K135 PolarHBondContact N-O 3.13Å; T116-K135 PolarHBondContact O-N 2.76Å; T116-K135 PolarHBondContact OG1-O 3.47Å; T116-V137 HydrophobicContact CG2-CG2 3.51Å |
| 117 | Y | 96.3 | Very high | 89.8 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 160.8 | -179.1 | 62.7 | -85.9 | 0 | 0 | 0 | 110.8 | F71 I87 P89 I96 V115 V119 A131 | F71-Y117 HydrophobicContact CB-CD2 4.29Å; F71-Y117 HydrophobicContact CB-CE1 4.06Å; F71-Y117 HydrophobicContact CB-CE2 3.72Å; F71-Y117 HydrophobicContact CD2-CE2 4.39Å; F71-Y117 HydrophobicContact CG-CE2 4.35Å; F71-Y117 PolarHBondContact N-O 2.77Å; F71-Y117 PolarHBondContact O-N 3.27Å; I87-Y117 HydrophobicContact CD1-CD1 4.47Å; I87-Y117 HydrophobicContact CG2-CD1 4.06Å; I87-Y117 HydrophobicContact CG2-CE1 3.78Å; P89-Y117 WeakPolarHBondContact CB-OH 3.29Å; I96-Y117 HydrophobicContact CD1-CD2 4.49Å; I96-Y117 HydrophobicContact CD1-CE2 3.42Å; I96-Y117 VanDerWaalsContact CD1-CE2 3.42Å; I96-Y117 VanDerWaalsContact CD1-OH 3.3Å; I96-Y117 WeakPolarHBondContact CD1-OH 3.33Å; V115-Y117 HydrophobicContact CG2-CD1 4.29Å; Y117-V119 HydrophobicContact CD2-CG2 4.06Å; Y117-V119 HydrophobicContact CE2-CG2 3.7Å; Y117-A131 HydrophobicContact CD2-CB 3.92Å; Y117-A131 HydrophobicContact CG-CB 4.1Å |
| 118 | K | 95.5 | Very high | 89.5 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 161.6 | 166.2 | -62.3 | -173.2 | -171.6 | 158.2 | 0 | 109.8 | A65 T66 A70 A131 V132 E133 | A65-K118 WeakPolarHBondContact O-CD 3.03Å; T66-K118 PolarHBondContact O-NZ 2.6Å; A70-K118 HydrophobicContact CB-CG 4.47Å; K118-A131 CarbonylContact O-C 3.54Å; K118-A131 WeakPolarHBondContact O-CA 3.42Å; K118-V132 HydrophobicContact CB-CG2 3.82Å; K118-V132 PolarHBondContact N-O 2.75Å; K118-V132 PolarHBondContact O-N 2.95Å; K118-E133 WeakPolarHBondContact CD-OE2 3.17Å; K118-E133 VanDerWaalsContact CE-OE2 3.28Å; K118-E133 WeakPolarHBondContact CE-OE2 3.43Å; K118-E133 IonicContact NZ-OE2 3.93Å; K118-E133 PolarHBondContact NZ-OE2 3.36Å |
| 119 | V | 93.3 | Very high | 89.3 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 26% | 0.261 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.3 | -177.1 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | F71 I96 Y117 I129 | F71-V119 HydrophobicContact CD2-CG2 3.73Å; F71-V119 HydrophobicContact CE2-CB 4.33Å; F71-V119 HydrophobicContact CE2-CG2 3.86Å; I96-V119 HydrophobicContact CD1-CG2 4.47Å; Y117-V119 HydrophobicContact CD2-CG2 4.06Å; Y117-V119 HydrophobicContact CE2-CG2 3.7Å; V119-I129 HydrophobicContact CG1-CB 3.74Å; V119-I129 HydrophobicContact CG1-CG2 3.67Å |
| 120 | S | 91.7 | Very high | 89.2 | Confident | 8 Ų | 8 | 61.1 Ų | 61.1 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.6 | 168.8 | -161.3 | 0 | 0 | 0 | 0 | 110.4 | Q130 | S120-Q130 PolarHBondContact N-O 3.24Å; S120-Q130 PolarHBondContact O-N 3.05Å |
| 121 | R | 88.9 | Confident | 89.2 | Confident | 172 Ų | 172 | 59.6 Ų | 59.6 | 65% | 0.649 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 137.9 | 176.4 | -63.2 | -178.3 | -176.2 | 170.7 | -1.7 | 109.6 | P123 N126 | R121-P123 WeakPolarHBondContact O-CD 3.28Å; R121-N126 HydrophobicContact CB-CB 4.01Å |
| 122 | I | 83.8 | Confident | 89.2 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | trans | -83.8 | 110.6 | 179.7 | -62.7 | 175.9 | 0 | 0 | 0 | 109.9 | P48 L51 P52 N126 K128 Q130 | P48-I122 HydrophobicContact CG-CG2 3.84Å; L51-I122 HydrophobicContact CD2-CD1 3.81Å; L51-I122 HydrophobicContact CD2-CG2 4.46Å; P52-I122 VanDerWaalsContact CD-CG2 3.42Å; P52-I122 HydrophobicContact CG-CB 4.33Å; P52-I122 HydrophobicContact CG-CG1 4.35Å; P52-I122 HydrophobicContact CG-CG2 3.69Å; I122-N126 WeakPolarHBondContact O-CA 3.39Å; I122-N126 PolarHBondContact O-N 3Å; I122-K128 HydrophobicContact CB-CB 4.44Å; I122-K128 WeakPolarHBondContact CB-O 3.31Å; I122-K128 HydrophobicContact CD1-CB 4Å; I122-K128 PolarHBondContact N-O 2.94Å; I122-Q130 HydrophobicContact CD1-CB 4.1Å; I122-Q130 HydrophobicContact CG1-CB 3.98Å | ||
| 123 | P | 78.2 | Confident | 89.2 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 39% | 0.39 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 161.1 | 171.6 | 28.3 | -34.6 | 0 | 0 | 0 | 111.2 | R121 | R121-P123 WeakPolarHBondContact O-CD 3.28Š|
| 124 | P | 74.9 | Confident | 89.2 | Confident | 113 Ų | 113 | 54.4 Ų | 54.4 | 73% | 0.734 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -84.7 | -24.8 | 2.5 | 30.8 | -33.7 | 0 | 0 | 0 | 114 | ||
| 125 | K | 75 | Confident | 89.2 | Confident | 168 Ų | 168 | 55 Ų | 55 | 73% | 0.73 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -15.2 | -173.6 | -63 | -174.3 | 177.7 | -178.8 | 0 | 113.8 | L127 | K125-L127 HydrophobicContact CB-CD1 3.97Å; K125-L127 HydrophobicContact CB-CG 3.93Å; K125-L127 HydrophobicContact CD-CD1 4.26Å; K125-L127 PolarHBondContact O-N 3.29Å |
| 126 | N | 80.3 | Confident | 89.1 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | trans | 55.2 | 19.8 | 179.5 | -59.8 | -47.3 | 0 | 0 | 0 | 114.9 | R121 I122 | R121-N126 HydrophobicContact CB-CB 4.01Å; I122-N126 WeakPolarHBondContact O-CA 3.39Å; I122-N126 PolarHBondContact O-N 3Å | ||
| 127 | L | 78.9 | Confident | 89 | Confident | 145 Ų | 145 | 58 Ų | 58 | 76% | 0.759 | 29% | 0.29 | S | S | * | . | trans | -80 | -28.6 | -177.7 | -65.8 | 174.6 | 0 | 0 | 0 | 112.5 | K125 | K125-L127 HydrophobicContact CB-CD1 3.97Å; K125-L127 HydrophobicContact CB-CG 3.93Å; K125-L127 HydrophobicContact CD-CD1 4.26Å; K125-L127 PolarHBondContact O-N 3.29Å | ||
| 128 | K | 84.3 | Confident | 88.8 | Confident | 55 Ų | 55 | 62.9 Ų | 62.9 | 24% | 0.239 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -107.9 | 138.1 | -175.5 | -81.8 | 164.4 | 158.8 | -168.7 | 0 | 110.3 | S46 L47 I122 | S46-K128 PolarHBondContact O-NZ 3.34Å; L47-K128 VanDerWaalsContact CA-NZ 3.27Å; L47-K128 HydrophobicContact CD2-CB 4.33Å; L47-K128 HydrophobicContact CD2-CD 3.43Å; L47-K128 VanDerWaalsContact CD2-CD 3.43Å; L47-K128 HydrophobicContact CD2-CG 4.06Å; L47-K128 HydrophobicContact CG-CD 4.44Å; I122-K128 HydrophobicContact CB-CB 4.44Å; I122-K128 WeakPolarHBondContact CB-O 3.31Å; I122-K128 HydrophobicContact CD1-CB 4Å; I122-K128 PolarHBondContact N-O 2.94Å |
| 129 | I | 90.1 | Very high | 88.7 | Confident | 64 Ų | 64 | 63.2 Ų | 63.2 | 33% | 0.328 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141.9 | 177.7 | 53.8 | 173.3 | 0 | 0 | 0 | 110 | I96 V119 | I96-I129 HydrophobicContact CD1-CD1 3.82Å; I96-I129 HydrophobicContact CG1-CD1 3.64Å; I96-I129 HydrophobicContact CG1-CG1 4.22Å; I96-I129 HydrophobicContact CG2-CD1 4.34Å; I96-I129 HydrophobicContact CG2-CG1 4.16Å; V119-I129 HydrophobicContact CG1-CB 3.74Å; V119-I129 HydrophobicContact CG1-CG2 3.67Å |
| 130 | Q | 92.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.8 | 175.7 | -178.9 | 170.8 | 51.9 | 0 | 0 | 108.8 | P52 F97 S120 I122 V132 | P52-Q130 PolarHBondContact O-NE2 3Å; P52-Q130 PolarHBondContact O-OE1 2.96Å; P52-Q130 VanDerWaalsContact O-OE1 3.05Å; F97-Q130 HydrophobicContact CD1-CG 4.11Å; F97-Q130 CarbonylContact O-C 3.53Å; F97-Q130 WeakPolarHBondContact O-CA 3.39Å; S120-Q130 PolarHBondContact N-O 3.24Å; S120-Q130 PolarHBondContact O-N 3.05Å; I122-Q130 HydrophobicContact CD1-CB 4.1Å; I122-Q130 HydrophobicContact CG1-CB 3.98Å; Q130-V132 HydrophobicContact CG-CG1 4.33Å |
| 131 | A | 95.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 130.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | I87 I96 F97 V98 Y117 K118 V134 | I87-A131 HydrophobicContact CD1-CB 3.73Å; I96-A131 HydrophobicContact CG2-CB 3.8Å; F97-A131 PolarHBondContact O-N 3.5Å; V98-A131 HydrophobicContact CB-CB 4.19Å; V98-A131 HydrophobicContact CG2-CB 4.46Å; Y117-A131 HydrophobicContact CD2-CB 3.92Å; Y117-A131 HydrophobicContact CG-CB 4.1Å; K118-A131 CarbonylContact O-C 3.54Å; K118-A131 WeakPolarHBondContact O-CA 3.42Å; A131-V134 HydrophobicContact CB-CG2 3.77Å |
| 132 | V | 94.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 156.1 | -178.5 | -45.4 | 0 | 0 | 0 | 0 | 109.6 | A65 K118 Q130 V134 | A65-V132 HydrophobicContact CB-CG2 3.68Å; K118-V132 HydrophobicContact CB-CG2 3.82Å; K118-V132 PolarHBondContact N-O 2.75Å; K118-V132 PolarHBondContact O-N 2.95Å; Q130-V132 HydrophobicContact CG-CG1 4.33Å; V132-V134 PolarHBondContact O-N 3.22Å |
| 133 | E | 94.3 | Very high | 88.3 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 23% | 0.229 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 51.6 | 47.3 | -176.5 | -61.9 | 177.1 | -162.1 | 0 | 0 | 111.2 | T66 D102 K118 K135 | T66-E133 VanDerWaalsContact CB-OE1 3.31Å; T66-E133 WeakPolarHBondContact CB-OE1 3.08Å; T66-E133 WeakPolarHBondContact CG2-OE1 3.38Å; T66-E133 PolarHBondContact OG1-OE1 3.35Å; D102-E133 PolarHBondContact O-N 2.81Å; K118-E133 WeakPolarHBondContact CD-OE2 3.17Å; K118-E133 VanDerWaalsContact CE-OE2 3.28Å; K118-E133 WeakPolarHBondContact CE-OE2 3.43Å; K118-E133 IonicContact NZ-OE2 3.93Å; K118-E133 PolarHBondContact NZ-OE2 3.36Å; E133-K135 PolarHBondContact O-N 2.94Å |
| 134 | V | 95.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.012 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 124.3 | -174.3 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | I87 V98 D102 I103 E104 V115 T116 A131 V132 | I87-V134 HydrophobicContact CD1-CG1 3.84Å; I87-V134 HydrophobicContact CD1-CG2 4.13Å; V98-V134 HydrophobicContact CG2-CB 4.48Å; V98-V134 HydrophobicContact CG2-CG2 3.76Å; D102-V134 PolarHBondContact O-N 3.15Å; I103-V134 HydrophobicContact CG1-CB 4.16Å; I103-V134 HydrophobicContact CG1-CG1 4.47Å; E104-V134 PolarHBondContact N-O 3.01Å; V115-V134 HydrophobicContact CB-CG1 3.98Å; V115-V134 HydrophobicContact CG1-CG1 4.29Å; V115-V134 HydrophobicContact CG2-CG1 4.28Å; T116-V134 CarbonylContact O-C 3.58Å; T116-V134 WeakPolarHBondContact O-CA 3.34Å; A131-V134 HydrophobicContact CB-CG2 3.77Å; V132-V134 PolarHBondContact O-N 3.22Å |
| 135 | K | 95.8 | Very high | 89.5 | Confident | 106 Ų | 106 | 64.1 Ų | 64.1 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.3 | 178.3 | -65.8 | 177.1 | -179.5 | -176.8 | 0 | 110.2 | E104 V115 T116 E133 V137 | E104-K135 HydrophobicContact CB-CG 4.12Å; E104-K135 WeakPolarHBondContact OE2-CE 3.18Å; E104-K135 IonicContact OE2-NZ 3.72Å; V115-K135 CarbonylContact C-O 3.43Å; V115-K135 VanDerWaalsContact CA-O 3.29Å; V115-K135 WeakPolarHBondContact CA-O 3.33Å; T116-K135 PolarHBondContact N-O 3.13Å; T116-K135 PolarHBondContact O-N 2.76Å; T116-K135 PolarHBondContact OG1-O 3.47Å; E133-K135 PolarHBondContact O-N 2.94Å; K135-V137 PolarHBondContact O-N 3.26Å |
| 136 | I | 95.4 | Very high | 90.3 | Very high | 36 Ų | 36 | 59.2 Ų | 59.2 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 124.7 | 172.9 | -57.5 | 159.9 | 0 | 0 | 0 | 108.4 | P109 D113 V115 L139 | P109-I136 HydrophobicContact CB-CD1 4.34Å; P109-I136 HydrophobicContact CG-CD1 4.09Å; D113-I136 HydrophobicContact CB-CG2 4.25Å; V115-I136 HydrophobicContact CG1-CB 4.46Å; V115-I136 HydrophobicContact CG1-CG1 3.93Å; I136-L139 HydrophobicContact CG2-CD2 3.77Å; I136-L139 HydrophobicContact CG2-CG 4.36Å |
| 137 | V | 94.9 | Very high | 90.9 | Very high | 71 Ų | 71 | 56 Ų | 56 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -46.2 | -179.2 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | E114 T116 K135 | E114-V137 PolarHBondContact O-N 3.48Å; T116-V137 HydrophobicContact CG2-CG2 3.51Å; K135-V137 PolarHBondContact O-N 3.26Å |
| 138 | H | 92.9 | Very high | 91.4 | Very high | 107 Ų | 107 | 52.5 Ų | 52.5 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.3 | 175.7 | -53.3 | 114 | 0 | 0 | 0 | 109.1 | E114 | E114-H138 HydrophobicContact CB-CB 3.98Å; E114-H138 HydrophobicContact CG-CB 4.21Å; E114-H138 PolarHBondContact N-O 3.39Å; E114-H138 PolarHBondContact O-N 3.08Å; E114-H138 IonicContact OE2-CE1 3.09Å; E114-H138 IonicContact OE2-CG 3.77Å; E114-H138 IonicContact OE2-ND1 2.74Å; E114-H138 PolarHBondContact OE2-ND1 3.31Å |
| 139 | L | 92.2 | Very high | 91.6 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 26% | 0.257 | 30% | 0.298 | S | S | . | . | trans | -72.5 | 138.7 | 171.6 | -65.1 | 169.4 | 0 | 0 | 0 | 108.7 | Y107 I136 P141 | Y107-L139 HydrophobicContact CD1-CD1 4.17Å; Y107-L139 HydrophobicContact CD1-CD2 4.15Å; Y107-L139 HydrophobicContact CD2-CD2 4.46Å; Y107-L139 HydrophobicContact CE1-CD1 3.88Å; Y107-L139 HydrophobicContact CE2-CD1 4.4Å; Y107-L139 HydrophobicContact CG-CD2 4.02Å; I136-L139 HydrophobicContact CG2-CD2 3.77Å; I136-L139 HydrophobicContact CG2-CG 4.36Å; L139-P141 VanDerWaalsContact O-CD 3.24Å; L139-P141 WeakPolarHBondContact O-CD 3.44Å; L139-P141 VanDerWaalsContact O-N 3.14Å | ||
| 140 | N | 90.4 | Very high | 91.4 | Very high | 47 Ų | 47 | 53 Ų | 53 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | trans | -63 | 113.9 | 178 | -175 | 9.5 | 0 | 0 | 0 | 110 | E111 D113 G142 T143 H145 | E111-N140 PolarHBondContact O-ND2 3.07Å; D113-N140 WeakPolarHBondContact OD1-CB 3.2Å; D113-N140 PolarHBondContact OD1-N 2.89Å; N140-G142 PolarHBondContact O-N 3.05Å; N140-T143 PolarHBondContact ND2-OG1 3.16Å; N140-T143 PolarHBondContact O-N 3.49Å; N140-H145 PolarHBondContact O-NE2 2.99Å | ||
| 141 | P | 86.6 | Confident | 91.2 | Very high | 88 Ų | 88 | 59 Ų | 59 | 57% | 0.571 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 133.6 | -177.8 | 27.7 | -34.2 | 0 | 0 | 0 | 110.2 | L139 | L139-P141 VanDerWaalsContact O-CD 3.24Å; L139-P141 WeakPolarHBondContact O-CD 3.44Å; L139-P141 VanDerWaalsContact O-N 3.14Å |
| 142 | G | 84.1 | Confident | 90.8 | Very high | 76 Ų | 76 | 64.8 Ų | 64.8 | 78% | 0.784 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | 0.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115 | N140 | N140-G142 PolarHBondContact O-N 3.05Š|
| 143 | T | 87.7 | Confident | 90.2 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 26% | 0.258 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -101.6 | 145.2 | 168.9 | -51.7 | 0 | 0 | 0 | 0 | 110.5 | V110 N140 H145 | V110-T143 HydrophobicContact CB-CG2 4.41Å; V110-T143 HydrophobicContact CG1-CG2 3.52Å; N140-T143 PolarHBondContact ND2-OG1 3.16Å; N140-T143 PolarHBondContact O-N 3.49Å; T143-H145 PolarHBondContact O-CD2 3.48Å; T143-H145 PolarHBondContact O-N 3.11Å |
| 144 | K | 88.7 | Confident | 89.4 | Confident | 158 Ų | 158 | 68.7 Ų | 68.7 | 69% | 0.687 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 125.1 | 170.7 | 61.9 | -176.2 | -179.6 | 179 | 0 | 109.1 | I152 | K144-I152 HydrophobicContact CB-CG2 4.23Š|
| 145 | H | 90.2 | Very high | 87.9 | Confident | 8 Ų | 8 | 75.3 Ų | 75.3 | 4% | 0.037 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136 | 177 | -71.4 | -74.8 | 0 | 0 | 0 | 109.3 | Y107 D113 N140 T143 I152 I153 | Y107-H145 HydrophobicContact CD1-CB 4.23Å; D113-H145 IonicContact OD1-CE1 2.61Å; D113-H145 PolarHBondContact OD1-CE1 2.85Å; D113-H145 IonicContact OD1-NE2 3.93Å; D113-H145 IonicContact OD2-CE1 3.99Å; D113-H145 IonicContact OD2-ND1 2.95Å; N140-H145 PolarHBondContact O-NE2 2.99Å; T143-H145 PolarHBondContact O-CD2 3.48Å; T143-H145 PolarHBondContact O-N 3.11Å; H145-I152 CarbonylContact O-C 3.51Å; H145-I152 WeakPolarHBondContact O-CA 3.26Å; H145-I153 PolarHBondContact N-O 3.3Å; H145-I153 PolarHBondContact O-N 3.43Å |
| 146 | E | 92.3 | Very high | 86.1 | Confident | 65 Ų | 65 | 77.5 Ų | 77.5 | 30% | 0.304 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 144.5 | 173 | -160.4 | -167.9 | 171.5 | 0 | 0 | 108.7 | R80 V108 G150 Q151 I152 | R80-E146 IonicContact CZ-OE1 3.34Å; R80-E146 IonicContact NH1-OE1 3.59Å; R80-E146 PolarHBondContact NH1-OE1 3.33Å; R80-E146 IonicContact NH1-OE2 3.8Å; R80-E146 PolarHBondContact NH1-OE2 2.96Å; V108-E146 WeakPolarHBondContact CB-O 3.48Å; V108-E146 HydrophobicContact CG2-CB 4.27Å; V108-E146 WeakPolarHBondContact CG2-O 3.39Å; V108-E146 PolarHBondContact N-O 2.85Å; E146-G150 WeakPolarHBondContact OE1-CA 3.32Å; E146-Q151 CarbonylContact C-O 3.54Å; E146-Q151 WeakPolarHBondContact CA-O 3.48Å; E146-I152 HydrophobicContact CG-CG1 4.41Å |
| 147 | T | 92.3 | Very high | 84 | Confident | 6 Ų | 6 | 83.1 Ų | 83.1 | 4% | 0.037 | 46% | 0.462 | C | S | . | . | B | Isolated β-bridge | trans | -90.6 | 162.9 | 168.4 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | E106 Y107 S149 G150 Q151 I153 | E106-T147 CarbonylContact O-C 3.4Å; E106-T147 WeakPolarHBondContact O-CA 3.46Å; E106-T147 VanDerWaalsContact O-CB 3.23Å; E106-T147 WeakPolarHBondContact O-CB 3.4Å; Y107-T147 HydrophobicContact CD1-CG2 4.27Å; Y107-T147 HydrophobicContact CE1-CG2 4.39Å; T147-S149 PolarHBondContact O-N 3.24Å; T147-S149 PolarHBondContact OG1-N 3.06Å; T147-S149 PolarHBondContact OG1-OG 3.24Å; T147-G150 PolarHBondContact O-N 3.13Å; T147-G150 PolarHBondContact OG1-N 3.39Å; T147-Q151 HydrophobicContact CG2-CB 4.27Å; T147-Q151 PolarHBondContact N-O 3.38Å; T147-Q151 WeakPolarHBondContact OG1-CB 3.46Å; T147-Q151 PolarHBondContact OG1-N 3.26Å; T147-Q151 PolarHBondContact OG1-O 3.22Å; T147-I153 HydrophobicContact CG2-CD1 3.84Å |
| 148 | W | 89.1 | Confident | 81.9 | Confident | 70 Ų | 70 | 89.1 Ų | 89.1 | 27% | 0.265 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.4 | 172.7 | -56.1 | 113.8 | 0 | 0 | 0 | 112.8 | F78 R80 I100 I103 G105 E106 Y107 V108 G150 | F78-W148 AromaticContact CE1-CH2 3.68Å; F78-W148 HydrophobicContact CE1-CH2 3.68Å; F78-W148 HydrophobicContact CE1-CZ3 4.19Å; F78-W148 AromaticContact CZ-CH2 3.79Å; F78-W148 HydrophobicContact CZ-CH2 3.79Å; F78-W148 HydrophobicContact CZ-CZ3 4.46Å; R80-W148 HydrophobicContact CG-CZ3 4.38Å; R80-W148 PolarHBondContact NH2-O 2.83Å; I100-W148 HydrophobicContact CD1-CE3 4Å; I100-W148 HydrophobicContact CD1-CH2 3.78Å; I100-W148 HydrophobicContact CD1-CZ3 3.32Å; I100-W148 HydrophobicContact CG1-CH2 3.66Å; I100-W148 HydrophobicContact CG1-CZ2 4.35Å; I100-W148 HydrophobicContact CG1-CZ3 3.75Å; I103-W148 HydrophobicContact CB-CZ2 4.42Å; I103-W148 HydrophobicContact CG2-CZ2 3.96Å; G105-W148 PolarHBondContact O-NE1 3.19Å; G105-W148 VanDerWaalsContact O-NE1 3.12Å; E106-W148 VanDerWaalsContact C-CD1 3.46Å; E106-W148 PolarHBondContact O-N 3.38Å; Y107-W148 PolarHBondContact O-NE1 2.89Å; V108-W148 HydrophobicContact CB-CH2 4.29Å; V108-W148 HydrophobicContact CB-CZ3 4.3Å; V108-W148 HydrophobicContact CG1-CH2 4.08Å; V108-W148 HydrophobicContact CG1-CZ3 4.1Å; V108-W148 HydrophobicContact CG2-CD2 3.97Å; V108-W148 HydrophobicContact CG2-CE3 3.63Å; V108-W148 HydrophobicContact CG2-CH2 4.15Å; V108-W148 HydrophobicContact CG2-CZ2 4.47Å; V108-W148 HydrophobicContact CG2-CZ3 3.72Å; W148-G150 VanDerWaalsContact C-N 3.31Å |
| 149 | S | 88.4 | Confident | 79.7 | Confident | 93 Ų | 93 | 93.3 Ų | 93.3 | 65% | 0.65 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -9 | 174 | 58.9 | 0 | 0 | 0 | 0 | 114 | T147 Q151 | T147-S149 PolarHBondContact O-N 3.24Å; T147-S149 PolarHBondContact OG1-N 3.06Å; T147-S149 PolarHBondContact OG1-OG 3.24Å; S149-Q151 PolarHBondContact OG-OE1 3.49Å |
| 150 | G | 86.9 | Confident | 79.1 | Confident | 37 Ų | 37 | 95.5 Ų | 95.5 | 38% | 0.381 | 54% | 0.541 | S | S | . | . | S | Bend | trans | 90.5 | 13.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E146 T147 W148 | E146-G150 WeakPolarHBondContact OE1-CA 3.32Å; T147-G150 PolarHBondContact O-N 3.13Å; T147-G150 PolarHBondContact OG1-N 3.39Å; W148-G150 VanDerWaalsContact C-N 3.31Å |
| 151 | Q | 87.4 | Confident | 78.5 | Confident | 128 Ų | 128 | 98.1 Ų | 98.1 | 60% | 0.598 | 56% | 0.556 | S | S | * | * | trans | -80.1 | 131.7 | 172.6 | -66.3 | 173.5 | -70.3 | 0 | 0 | 109.6 | E146 T147 S149 | E146-Q151 CarbonylContact C-O 3.54Å; E146-Q151 WeakPolarHBondContact CA-O 3.48Å; T147-Q151 HydrophobicContact CG2-CB 4.27Å; T147-Q151 PolarHBondContact N-O 3.38Å; T147-Q151 WeakPolarHBondContact OG1-CB 3.46Å; T147-Q151 PolarHBondContact OG1-N 3.26Å; T147-Q151 PolarHBondContact OG1-O 3.22Å; S149-Q151 PolarHBondContact OG-OE1 3.49Å | ||
| 152 | I | 86.8 | Confident | 78.1 | Confident | 120 Ų | 120 | 98.6 Ų | 98.6 | 62% | 0.615 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.1 | 175.8 | -56.8 | 174.2 | 0 | 0 | 0 | 108 | K144 H145 E146 | K144-I152 HydrophobicContact CB-CG2 4.23Å; H145-I152 CarbonylContact O-C 3.51Å; H145-I152 WeakPolarHBondContact O-CA 3.26Å; E146-I152 HydrophobicContact CG-CG1 4.41Å |
| 153 | I | 82.3 | Confident | 77.7 | Confident | 64 Ų | 64 | 99.9 Ų | 99.9 | 33% | 0.328 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 116.9 | 179.6 | -62.4 | 163.9 | 0 | 0 | 0 | 107.4 | Y107 H145 T147 | Y107-I153 HydrophobicContact CD1-CD1 4.35Å; Y107-I153 HydrophobicContact CE1-CD1 3.42Å; Y107-I153 VanDerWaalsContact CE1-CD1 3.42Å; H145-I153 PolarHBondContact N-O 3.3Å; H145-I153 PolarHBondContact O-N 3.43Å; T147-I153 HydrophobicContact CG2-CD1 3.84Å |
| 154 | S | 77.1 | Confident | 77.1 | Confident | 69 Ų | 69 | 103.6 Ų | 103.6 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | trans | -109.7 | 131.7 | 170.4 | 50 | 0 | 0 | 0 | 0 | 108.7 | L156 | S154-L156 PolarHBondContact O-N 3.32Š| ||
| 155 | Q | 63.9 | Low | 76.3 | Confident | 142 Ų | 142 | 99.9 Ų | 99.9 | 66% | 0.664 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 35.2 | 179.2 | -155.6 | 179.3 | -77.1 | 0 | 0 | 113.4 | ||
| 156 | L | 57.9 | Low | 75.3 | Confident | 152 Ų | 152 | 106.5 Ų | 106.5 | 80% | 0.796 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 7.1 | -175.7 | -91.4 | 165.2 | 0 | 0 | 0 | 113.7 | S154 | S154-L156 PolarHBondContact O-N 3.32Š|
| 157 | D | 51.3 | Low | 74 | Confident | 153 Ų | 153 | 109.7 Ų | 109.7 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -122.6 | 36.5 | -173 | -143.7 | -109.5 | 0 | 0 | 0 | 113.9 | ||
| 158 | E | 52.1 | Low | 72.5 | Confident | 197 Ų | 197 | 118.3 Ų | 118.3 | 92% | 0.921 | 66% | 0.657 | S | S | * | * | trans | -138.6 | 97.5 | 162.2 | -116.2 | 179.8 | 87.5 | 0 | 0 | 108.7 | ||||
| 159 | S | 47.2 | Very low | 71 | Confident | 195 Ų | 195 | 122.7 Ų | 122.7 | 100% | 1.364 | 69% | 0.693 | S | S | * | * | trans | -130.3 | 0 | 168.3 | -71.1 | 0 | 0 | 0 | 0 | 109 |
Retrieved 159 of 159 residues in 102.3 ms
(Link to these results)