| 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 | 42.7 | Very low | 51.5 | Low | 241 Ų | 241 | 162 Ų | 162 | 100% | 1.187 | 85% | 0.853 | S | S | * | * | 0 | 128 | 0 | -73.4 | -171.2 | 166.6 | 0 | 0 | 108.8 | |||||
| 2 | R | 44 | Very low | 51.4 | Low | 230 Ų | 230 | 160.9 Ų | 160.9 | 87% | 0.868 | 86% | 0.858 | S | S | * | * | trans | 58.6 | 100.4 | 169.5 | -61.4 | 176 | 160.6 | 154.1 | -4.6 | 115.4 | ||||
| 3 | V | 49.1 | Very low | 51.1 | Low | 132 Ų | 132 | 165.7 Ų | 165.7 | 80% | 0.8 | 86% | 0.857 | S | S | * | * | cis | 50.9 | 107.4 | 48.5 | -157.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 4 | F | 44 | Very low | 50.9 | Low | 197 Ų | 197 | 163.9 Ų | 163.9 | 86% | 0.864 | 85% | 0.849 | S | S | * | * | trans | -148.4 | 116.9 | 145.3 | -96.6 | -76.8 | 0 | 0 | 0 | 109.7 | ||||
| 5 | A | 53 | Low | 50.7 | Low | 83 Ų | 83 | 166.2 Ų | 166.2 | 69% | 0.686 | 85% | 0.849 | S | S | * | * | trans | -98.5 | 144.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 6 | T | 64.3 | Low | 50.4 | Low | 142 Ų | 142 | 167.9 Ų | 167.9 | 87% | 0.871 | 85% | 0.853 | S | S | * | * | trans | -126.4 | 104.8 | 165.4 | 47.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 7 | L | 52.6 | Low | 49.9 | Very low | 167 Ų | 167 | 164.8 Ų | 164.8 | 87% | 0.874 | 85% | 0.85 | S | S | * | * | trans | -78.4 | 126.9 | 165.6 | -73.6 | 161.8 | 0 | 0 | 0 | 108.5 | ||||
| 8 | G | 55 | Low | 49.8 | Very low | 72 Ų | 72 | 160.7 Ų | 160.7 | 74% | 0.742 | 84% | 0.844 | S | S | * | * | trans | -111.1 | 108.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 9 | I | 59.8 | Low | 49.8 | Very low | 161 Ų | 161 | 157.9 Ų | 157.9 | 83% | 0.826 | 84% | 0.84 | S | S | * | * | trans | -81.8 | 135.8 | 177.6 | -65.1 | 151 | 0 | 0 | 0 | 109.1 | ||||
| 10 | W | 47.9 | Very low | 49.3 | Very low | 240 Ų | 240 | 155.4 Ų | 155.4 | 91% | 0.909 | 84% | 0.835 | S | S | * | * | trans | -107.1 | 138.1 | 168.6 | -81.1 | 64.2 | 0 | 0 | 0 | 110.3 | ||||
| 11 | P | 54.2 | Low | 49.1 | Very low | 117 Ų | 117 | 156 Ų | 156 | 76% | 0.76 | 84% | 0.837 | S | S | * | * | trans | -92.2 | 141.7 | -175 | 35.2 | -31.6 | 0 | 0 | 0 | 112.7 | ||||
| 12 | T | 50.7 | Low | 49.2 | Very low | 149 Ų | 149 | 152.6 Ų | 152.6 | 91% | 0.914 | 82% | 0.823 | S | S | * | * | trans | -84.3 | 134 | 163.8 | 41.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 13 | R | 46.7 | Very low | 49.8 | Very low | 223 Ų | 223 | 149.2 Ų | 149.2 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | -134.4 | 120 | 177.2 | -167.1 | 171.7 | -162.9 | -169.9 | 2.2 | 112.7 | ||||
| 14 | L | 48.7 | Very low | 49.5 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | trans | 67.9 | 118.1 | 148.7 | -77.5 | 156.3 | 0 | 0 | 0 | 121.1 | ||||
| 15 | K | 47.7 | Very low | 49.8 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | trans | -88.6 | 124.4 | 163.2 | 179.2 | 171.6 | -174.9 | 172.2 | 0 | 107.7 | ||||
| 16 | E | 46.3 | Very low | 49.5 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -111.5 | 127.5 | 165 | -95.5 | 171.9 | 134.6 | 0 | 0 | 109.8 | ||||
| 17 | S | 41.2 | Very low | 48.7 | Very low | 114 Ų | 114 | 149 Ų | 149 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | trans | -104.7 | 126.4 | 175.3 | 51.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 18 | A | 48.1 | Very low | 48.5 | Very low | 91 Ų | 91 | 147.5 Ų | 147.5 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -132.9 | 97.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 19 | S | 51 | Low | 48.6 | Very low | 108 Ų | 108 | 152.3 Ų | 152.3 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | 69.9 | 101.5 | 95.2 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 20 | S | 38.2 | Very low | 48.3 | Very low | 107 Ų | 107 | 154.2 Ų | 154.2 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | trans | -36 | 131.2 | 162.8 | 49.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 21 | L | 45.2 | Very low | 48.6 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 88% | 0.88 | 81% | 0.814 | S | S | * | * | trans | -127.4 | 106 | 149.8 | -73 | 175.2 | 0 | 0 | 0 | 108.2 | ||||
| 22 | L | 44.7 | Very low | 48.8 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -76.3 | 119.2 | 169.7 | -75.1 | 161.6 | 0 | 0 | 0 | 108.2 | ||||
| 23 | I | 56.7 | Low | 48.8 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 82% | 0.815 | 81% | 0.81 | S | S | * | * | trans | -109.7 | 111.8 | 164.5 | -58.1 | 169.9 | 0 | 0 | 0 | 106.4 | ||||
| 24 | P | 43.2 | Very low | 48.9 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -86 | 135.1 | 173.2 | 32.6 | -28.1 | 0 | 0 | 0 | 110 | ||||
| 25 | G | 50.3 | Low | 49.3 | Very low | 62 Ų | 62 | 140.4 Ų | 140.4 | 64% | 0.639 | 80% | 0.802 | S | S | * | * | trans | 102.3 | 84.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 26 | F | 46.6 | Very low | 49.3 | Very low | 217 Ų | 217 | 141.3 Ų | 141.3 | 95% | 0.952 | 80% | 0.8 | S | S | * | * | trans | -142.5 | 100.3 | 143.2 | -112.4 | -87.8 | 0 | 0 | 0 | 108.1 | ||||
| 27 | L | 47.3 | Very low | 49.6 | Very low | 152 Ų | 152 | 140.8 Ų | 140.8 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | -71.6 | 141.3 | 173.1 | -85.1 | 142.1 | 0 | 0 | 0 | 110 | ||||
| 28 | N | 49.7 | Very low | 50.5 | Low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 63.3 | 88.7 | 157.3 | -75.4 | -64.2 | 0 | 0 | 0 | 118.1 | ||||
| 29 | L | 55.7 | Low | 51.1 | Low | 172 Ų | 172 | 144.7 Ų | 144.7 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -156.4 | 122.1 | 134.9 | -134.3 | 70.2 | 0 | 0 | 0 | 108.5 | P31 | L29-P31 VanDerWaalsContact O-CD 3.26Å; L29-P31 WeakPolarHBondContact O-CD 3.39Å | ||
| 30 | K | 53.5 | Low | 51.7 | Low | 202 Ų | 202 | 144.4 Ų | 144.4 | 88% | 0.878 | 79% | 0.787 | S | S | * | * | trans | -77.1 | 116.4 | 177.1 | -66.7 | 171.9 | 176.5 | 174.2 | 0 | 108.9 | A32 | K30-A32 PolarHBondContact O-N 3.46Š| ||
| 31 | P | 54.5 | Low | 52.8 | Low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -86.2 | 112.7 | 163 | 30.4 | -23.4 | 0 | 0 | 0 | 108.6 | L29 L33 | L29-P31 VanDerWaalsContact O-CD 3.26Å; L29-P31 WeakPolarHBondContact O-CD 3.39Å; P31-L33 PolarHBondContact O-N 2.99Å | ||
| 32 | A | 59 | Low | 53.5 | Low | 99 Ų | 99 | 144.6 Ų | 144.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -74.9 | 64.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | K30 | K30-A32 PolarHBondContact O-N 3.46Š| ||
| 33 | L | 49.6 | Very low | 54.1 | Low | 147 Ų | 147 | 141.8 Ų | 141.8 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -148.5 | 86.3 | 166.1 | -78.1 | 179.9 | 0 | 0 | 0 | 108.4 | P31 V35 | P31-L33 PolarHBondContact O-N 2.99Å; L33-V35 PolarHBondContact O-N 3.03Å | ||
| 34 | S | 49.2 | Very low | 54.4 | Low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | -73 | 83.1 | 161.9 | 177.9 | 0 | 0 | 0 | 0 | 107.5 | R36 | S34-R36 PolarHBondContact O-N 3.5Å; S34-R36 VanDerWaalsContact O-N 3.16Å | ||
| 35 | V | 56.9 | Low | 55.7 | Low | 102 Ų | 102 | 136.2 Ų | 136.2 | 62% | 0.618 | 75% | 0.747 | S | S | * | * | trans | -71.6 | 103 | 162.2 | -179.3 | 0 | 0 | 0 | 0 | 105.1 | L33 F37 | L33-V35 PolarHBondContact O-N 3.03Å; V35-F37 VanDerWaalsContact C-N 3.28Å; V35-F37 HydrophobicContact CG1-CD2 4.24Å; V35-F37 HydrophobicContact CG1-CE2 4.3Å; V35-F37 PolarHBondContact O-N 3.13Å | ||
| 36 | R | 48.9 | Very low | 56.9 | Low | 217 Ų | 217 | 139.3 Ų | 139.3 | 82% | 0.819 | 75% | 0.749 | S | S | * | * | trans | -64 | 98.4 | 165.2 | -73.9 | -164.7 | 177.8 | -174 | 0.8 | 106.8 | S34 F38 | S34-R36 PolarHBondContact O-N 3.5Å; S34-R36 VanDerWaalsContact O-N 3.16Å; R36-F38 VanDerWaalsContact C-N 3.31Å; R36-F38 PolarHBondContact O-N 2.83Å | ||
| 37 | F | 51.6 | Low | 58.7 | Low | 183 Ų | 183 | 136.8 Ų | 136.8 | 80% | 0.803 | 75% | 0.746 | S | S | * | * | trans | -61.1 | 103.5 | 157.3 | -90.5 | -92.2 | 0 | 0 | 0 | 106.1 | V35 S39 | V35-F37 VanDerWaalsContact C-N 3.28Å; V35-F37 HydrophobicContact CG1-CD2 4.24Å; V35-F37 HydrophobicContact CG1-CE2 4.3Å; V35-F37 PolarHBondContact O-N 3.13Å; F37-S39 PolarHBondContact O-N 2.67Å; F37-S39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | F | 61.5 | Low | 60.5 | Low | 184 Ų | 184 | 134.9 Ų | 134.9 | 81% | 0.807 | 73% | 0.731 | S | S | * | * | trans | -61.2 | 110.4 | 157.6 | -114.5 | -95.3 | 0 | 0 | 0 | 105.1 | R36 V40 | R36-F38 VanDerWaalsContact C-N 3.31Å; R36-F38 PolarHBondContact O-N 2.83Å; F38-V40 VanDerWaalsContact C-N 3.25Å; F38-V40 PolarHBondContact O-N 3.17Å | ||
| 39 | S | 59.2 | Low | 62.4 | Low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | trans | -61.1 | 99 | 161.7 | -56.9 | 0 | 0 | 0 | 0 | 105.8 | F37 D41 | F37-S39 PolarHBondContact O-N 2.67Å; F37-S39 VanDerWaalsContact O-N 3.09Å; S39-D41 PolarHBondContact O-N 3.15Å | ||
| 40 | V | 64.4 | Low | 64 | Low | 103 Ų | 103 | 131.4 Ų | 131.4 | 62% | 0.624 | 72% | 0.723 | S | S | * | * | trans | -66.1 | 116.4 | 159.2 | -179 | 0 | 0 | 0 | 0 | 103.9 | F38 L42 | F38-V40 VanDerWaalsContact C-N 3.25Å; F38-V40 PolarHBondContact O-N 3.17Å; V40-L42 PolarHBondContact O-N 3.03Å | ||
| 41 | D | 60.7 | Low | 65.7 | Low | 117 Ų | 117 | 129.9 Ų | 129.9 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | trans | -58.1 | 104.6 | 171.1 | -71.7 | -44.3 | 0 | 0 | 0 | 106.9 | S39 N43 | S39-D41 PolarHBondContact O-N 3.15Å; D41-N43 PolarHBondContact O-N 3.36Å | ||
| 42 | L | 59.3 | Low | 67.4 | Low | 162 Ų | 162 | 129.7 Ų | 129.7 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | trans | -73.1 | 53.2 | 170.6 | -64.2 | 175.2 | 0 | 0 | 0 | 109.3 | V40 G44 | V40-L42 PolarHBondContact O-N 3.03Å; L42-G44 PolarHBondContact O-N 3.04Å | ||
| 43 | N | 57.9 | Low | 69 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | trans | -70.6 | 106.6 | 154.9 | -66.6 | -41.5 | 0 | 0 | 0 | 103.8 | D41 D45 | D41-N43 PolarHBondContact O-N 3.36Å; N43-D45 PolarHBondContact O-N 3.46Å | ||
| 44 | G | 64.3 | Low | 71.1 | Confident | 68 Ų | 68 | 128.1 Ų | 128.1 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 39.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L42 | L42-G44 PolarHBondContact O-N 3.04Š|
| 45 | D | 70.4 | Confident | 73.1 | Confident | 94 Ų | 94 | 127.7 Ų | 127.7 | 50% | 0.503 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.6 | -18.1 | -172.9 | -62.5 | -17.4 | 0 | 0 | 0 | 112.6 | N43 K48 | N43-D45 PolarHBondContact O-N 3.46Å; D45-K48 HydrophobicContact CB-CD 4.19Å; D45-K48 WeakPolarHBondContact O-CB 3.46Å; D45-K48 WeakPolarHBondContact O-CD 3.37Å; D45-K48 WeakPolarHBondContact O-CG 3.45Å; D45-K48 PolarHBondContact O-N 3.41Å; D45-K48 WeakPolarHBondContact OD1-CE 3.46Å; D45-K48 IonicContact OD1-NZ 3.4Å; D45-K48 PolarHBondContact OD1-NZ 3.41Å; D45-K48 IonicContact OD2-NZ 3.4Å |
| 46 | D | 75.7 | Confident | 74.9 | Confident | 127 Ų | 127 | 132.7 Ų | 132.7 | 68% | 0.679 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -25.2 | -176.1 | -63.9 | -32.4 | 0 | 0 | 0 | 113.8 | ||
| 47 | D | 83.7 | Confident | 77.1 | Confident | 165 Ų | 165 | 130.5 Ų | 130.5 | 88% | 0.882 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 9.4 | 177.1 | -68.7 | -45.1 | 0 | 0 | 0 | 113.3 | ||
| 48 | K | 85.7 | Confident | 79.1 | Confident | 112 Ų | 112 | 130.8 Ų | 130.8 | 49% | 0.487 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -68.3 | 142.4 | 177.5 | -71.4 | 173.7 | 179.3 | 167.7 | 0 | 110.1 | D45 V50 | D45-K48 HydrophobicContact CB-CD 4.19Å; D45-K48 WeakPolarHBondContact O-CB 3.46Å; D45-K48 WeakPolarHBondContact O-CD 3.37Å; D45-K48 WeakPolarHBondContact O-CG 3.45Å; D45-K48 PolarHBondContact O-N 3.41Å; D45-K48 WeakPolarHBondContact OD1-CE 3.46Å; D45-K48 IonicContact OD1-NZ 3.4Å; D45-K48 PolarHBondContact OD1-NZ 3.41Å; D45-K48 IonicContact OD2-NZ 3.4Å; K48-V50 PolarHBondContact O-N 2.92Å |
| 49 | P | 88.8 | Confident | 80.6 | Confident | 122 Ų | 122 | 128.5 Ų | 128.5 | 79% | 0.792 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 127.6 | 173 | 26.5 | -33.2 | 0 | 0 | 0 | 109.3 | ||
| 50 | V | 88.8 | Confident | 82.1 | Confident | 111 Ų | 111 | 133.3 Ų | 133.3 | 67% | 0.673 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 134.6 | 175 | -174.8 | 0 | 0 | 0 | 0 | 108.8 | K48 I52 | K48-V50 PolarHBondContact O-N 2.92Å; V50-I52 HydrophobicContact CB-CD1 3.66Å; V50-I52 HydrophobicContact CB-CG1 4.05Å; V50-I52 HydrophobicContact CG1-CD1 3.79Å; V50-I52 HydrophobicContact CG1-CG1 3.74Å; V50-I52 PolarHBondContact O-N 3.37Å |
| 51 | D | 90.1 | Very high | 83.3 | Confident | 171 Ų | 171 | 136.9 Ų | 136.9 | 91% | 0.914 | 71% | 0.709 | S | S | * | * | trans | -70.2 | 89.8 | 176.2 | -68.4 | -39.6 | 0 | 0 | 0 | 110.9 | ||||
| 52 | I | 90.1 | Very high | 84.8 | Confident | 115 Ų | 115 | 138.5 Ų | 138.5 | 59% | 0.59 | 71% | 0.71 | S | S | * | * | trans | -120.2 | 143.7 | 179.9 | -57.9 | 151.8 | 0 | 0 | 0 | 107.9 | V50 | V50-I52 HydrophobicContact CB-CD1 3.66Å; V50-I52 HydrophobicContact CB-CG1 4.05Å; V50-I52 HydrophobicContact CG1-CD1 3.79Å; V50-I52 HydrophobicContact CG1-CG1 3.74Å; V50-I52 PolarHBondContact O-N 3.37Å | ||
| 53 | P | 92.2 | Very high | 86.4 | Confident | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | trans | -57.1 | 143.2 | 170.5 | 25.7 | -36.1 | 0 | 0 | 0 | 110.8 | P55 | P53-P55 WeakPolarHBondContact O-CD 3.13Š| ||
| 54 | D | 93 | Very high | 87.9 | Confident | 99 Ų | 99 | 128.6 Ų | 128.6 | 53% | 0.529 | 66% | 0.655 | S | S | . | * | trans | -48.7 | 108.4 | -177.2 | 176.3 | 11.2 | 0 | 0 | 0 | 112.3 | Y56 R57 | D54-Y56 PolarHBondContact O-N 3Å; D54-Y56 PolarHBondContact OD1-N 3.27Å; D54-R57 HydrophobicContact CB-CB 4.25Å; D54-R57 VanDerWaalsContact O-CB 3.31Å; D54-R57 WeakPolarHBondContact O-CB 3.44Å; D54-R57 PolarHBondContact O-N 3.13Å | ||
| 55 | P | 93.1 | Very high | 89.2 | Confident | 104 Ų | 104 | 125.7 Ų | 125.7 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -16.6 | -176.9 | 29.8 | -33.9 | 0 | 0 | 0 | 112.5 | P53 R57 | P53-P55 WeakPolarHBondContact O-CD 3.13Å; P55-R57 VanDerWaalsContact C-N 3.33Å |
| 56 | Y | 94.7 | Very high | 90.3 | Very high | 206 Ų | 206 | 122.8 Ų | 122.8 | 81% | 0.808 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 6 | 179.3 | -54.9 | -71.6 | 0 | 0 | 0 | 112.7 | D54 K58 | D54-Y56 PolarHBondContact O-N 3Å; D54-Y56 PolarHBondContact OD1-N 3.27Å; Y56-K58 PolarHBondContact O-N 3.41Å |
| 57 | R | 94.6 | Very high | 91.2 | Very high | 172 Ų | 172 | 123.1 Ų | 123.1 | 65% | 0.649 | 61% | 0.608 | S | S | * | * | trans | -65.6 | 108.9 | -179.6 | -170.7 | 178.5 | -172.6 | 169.4 | 10.2 | 111.2 | D54 P55 | D54-R57 HydrophobicContact CB-CB 4.25Å; D54-R57 VanDerWaalsContact O-CB 3.31Å; D54-R57 WeakPolarHBondContact O-CB 3.44Å; D54-R57 PolarHBondContact O-N 3.13Å; P55-R57 VanDerWaalsContact C-N 3.33Å | ||
| 58 | K | 93.6 | Very high | 91.6 | Very high | 189 Ų | 189 | 121.4 Ų | 121.4 | 82% | 0.822 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 147 | 174.1 | -64.7 | 176.9 | -176.7 | 175.8 | 0 | 111.6 | Y56 | Y56-K58 PolarHBondContact O-N 3.41Š|
| 59 | T | 91.8 | Very high | 91.9 | Very high | 136 Ų | 136 | 122.6 Ų | 122.6 | 83% | 0.834 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 144.8 | 173 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | K61 | T59-K61 PolarHBondContact O-N 3.1Š|
| 60 | R | 91.4 | Very high | 92.1 | Very high | 203 Ų | 203 | 118.9 Ų | 118.9 | 77% | 0.766 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 130.5 | 178.1 | -64.5 | -176.6 | -178.5 | -175.5 | 0.7 | 109.5 | K62 | R60-K62 PolarHBondContact O-N 3.45Š|
| 61 | K | 90.3 | Very high | 92.4 | Very high | 179 Ų | 179 | 118 Ų | 118 | 78% | 0.778 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 129.9 | 173.2 | -63.9 | -172.7 | 178.4 | -172.7 | 0 | 109.7 | T59 R140 | T59-K61 PolarHBondContact O-N 3.1Å; K61-R140 PolarHBondContact NZ-OXT 3.49Å |
| 62 | K | 91.9 | Very high | 92.7 | Very high | 150 Ų | 150 | 110.5 Ų | 110.5 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -101.3 | 159.4 | 176.2 | -67.4 | -178.5 | -176.8 | 177.4 | 0 | 110.2 | R60 C66 E67 | R60-K62 PolarHBondContact O-N 3.45Å; K62-C66 HydrophobicContact CB-CB 4.26Å; K62-E67 HydrophobicContact CB-CB 4.24Å |
| 63 | C | 91.7 | Very high | 93 | Very high | 4 Ų | 4 | 108.4 Ų | 108.4 | 3% | 0.027 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 154.4 | 171.5 | 83.4 | 0 | 0 | 0 | 0 | 110.8 | I65 C66 E67 M99 C100 | C63-I65 VanDerWaalsContact C-N 3.26Å; C63-I65 PolarHBondContact O-N 3.19Å; C63-I65 VanDerWaalsContact O-N 3.15Å; C63-C66 HydrophobicContact CB-CB 4.15Å; C63-C66 WeakPolarHBondContact CB-SG 3.48Å; C63-C66 CarbonylContact O-C 3.59Å; C63-C66 WeakPolarHBondContact O-CA 3.44Å; C63-C66 WeakPolarHBondContact O-CB 3.23Å; C63-C66 PolarHBondContact O-N 3.26Å; C63-C66 WeakPolarHBondContact SG-CB 3.34Å; C63-C66 PolarHBondContact SG-N 3.43Å; C63-C66 CovalentContact SG-SG 2.07Å; C63-C66 PolarHBondContact SG-SG 2.97Å; C63-E67 WeakPolarHBondContact O-CB 3.49Å; C63-E67 PolarHBondContact O-N 3.08Å; C63-M99 HydrophobicContact CB-CE 3.77Å; C63-M99 HydrophobicContact CB-SD 3.87Å; C63-M99 WeakPolarHBondContact SG-CE 3.38Å; C63-C100 HydrophobicContact CB-CB 4.41Å |
| 64 | F | 89.7 | Confident | 93.2 | Very high | 61 Ų | 61 | 105.3 Ų | 105.3 | 27% | 0.268 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -49.4 | -44.9 | 179.6 | 173 | -97.4 | 0 | 0 | 0 | 113.5 | K68 I70 M99 I135 | F64-K68 HydrophobicContact CD2-CD 4.17Å; F64-K68 HydrophobicContact CE1-CD 4.34Å; F64-K68 HydrophobicContact CE2-CD 3.65Å; F64-K68 VanDerWaalsContact CE2-NZ 3.25Å; F64-K68 HydrophobicContact CZ-CD 3.74Å; F64-K68 PolarHBondContact O-N 3.5Å; F64-K68 VanDerWaalsContact O-N 3.13Å; F64-I70 HydrophobicContact CD1-CD1 4.14Å; F64-I70 HydrophobicContact CE1-CD1 3.52Å; F64-I70 HydrophobicContact CZ-CD1 4.11Å; F64-M99 HydrophobicContact CB-SD 4.44Å; F64-I135 HydrophobicContact CD1-CD1 4.48Å; F64-I135 HydrophobicContact CD2-CG2 4.35Å; F64-I135 HydrophobicContact CE1-CD1 4.24Å; F64-I135 HydrophobicContact CE2-CG2 4.48Å; F64-I135 HydrophobicContact CG-CG2 4.44Å |
| 65 | I | 92.7 | Very high | 93.4 | Very high | 6 Ų | 6 | 106.2 Ų | 106.2 | 3% | 0.031 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -71.8 | -36.6 | -179.7 | -57.5 | 175.7 | 0 | 0 | 0 | 111.4 | C63 E67 N69 I70 L72 F83 M99 I107 | C63-I65 VanDerWaalsContact C-N 3.26Å; C63-I65 PolarHBondContact O-N 3.19Å; C63-I65 VanDerWaalsContact O-N 3.15Å; I65-E67 VanDerWaalsContact C-N 3.33Å; I65-N69 WeakPolarHBondContact O-CA 3.46Å; I65-N69 PolarHBondContact O-N 3.03Å; I65-I70 HydrophobicContact CG2-CB 4.33Å; I65-I70 PolarHBondContact O-N 3.1Å; I65-L72 HydrophobicContact CD1-CD1 4.22Å; I65-L72 HydrophobicContact CD1-CD2 3.96Å; I65-L72 HydrophobicContact CG2-CD1 4.16Å; I65-L72 HydrophobicContact CG2-CD2 4.04Å; I65-L72 HydrophobicContact CG2-CG 4.17Å; I65-F83 HydrophobicContact CD1-CE2 4.33Å; I65-F83 HydrophobicContact CD1-CZ 3.86Å; I65-F83 HydrophobicContact CG1-CZ 4.45Å; I65-M99 HydrophobicContact CB-CE 3.73Å; I65-M99 HydrophobicContact CD1-CE 3.35Å; I65-M99 HydrophobicContact CD1-SD 4.39Å; I65-M99 HydrophobicContact CG1-CE 3.5Å; I65-M99 VanDerWaalsContact CG1-CE 3.5Å; I65-M99 HydrophobicContact CG1-SD 4.33Å; I65-I107 HydrophobicContact CD1-CD1 3.35Å; I65-I107 HydrophobicContact CD1-CG1 4.01Å |
| 66 | C | 93.5 | Very high | 93.6 | Very high | 34 Ų | 34 | 104.6 Ų | 104.6 | 23% | 0.23 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -70.1 | -33.2 | 179.7 | -50.2 | 0 | 0 | 0 | 0 | 111.7 | K62 C63 N69 | K62-C66 HydrophobicContact CB-CB 4.26Å; C63-C66 HydrophobicContact CB-CB 4.15Å; C63-C66 WeakPolarHBondContact CB-SG 3.48Å; C63-C66 CarbonylContact O-C 3.59Å; C63-C66 WeakPolarHBondContact O-CA 3.44Å; C63-C66 WeakPolarHBondContact O-CB 3.23Å; C63-C66 PolarHBondContact O-N 3.26Å; C63-C66 WeakPolarHBondContact SG-CB 3.34Å; C63-C66 PolarHBondContact SG-N 3.43Å; C63-C66 CovalentContact SG-SG 2.07Å; C63-C66 PolarHBondContact SG-SG 2.97Å; C66-N69 PolarHBondContact O-OD1 2.96Å |
| 67 | E | 93 | Very high | 93.6 | Very high | 133 Ų | 133 | 95.6 Ų | 95.6 | 62% | 0.621 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -76 | -43.2 | 179.2 | -175.8 | 172.6 | -156.8 | 0 | 0 | 111 | K62 C63 I65 | K62-E67 HydrophobicContact CB-CB 4.24Å; C63-E67 WeakPolarHBondContact O-CB 3.49Å; C63-E67 PolarHBondContact O-N 3.08Å; I65-E67 VanDerWaalsContact C-N 3.33Å |
| 68 | K | 92 | Very high | 93.6 | Very high | 129 Ų | 129 | 94.6 Ų | 94.6 | 56% | 0.561 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -88.6 | -4.2 | -179.2 | -64.4 | -172.6 | 177.2 | -167.5 | 0 | 114.7 | F64 I70 | F64-K68 HydrophobicContact CD2-CD 4.17Å; F64-K68 HydrophobicContact CE1-CD 4.34Å; F64-K68 HydrophobicContact CE2-CD 3.65Å; F64-K68 VanDerWaalsContact CE2-NZ 3.25Å; F64-K68 HydrophobicContact CZ-CD 3.74Å; F64-K68 PolarHBondContact O-N 3.5Å; F64-K68 VanDerWaalsContact O-N 3.13Å; K68-I70 HydrophobicContact CB-CD1 3.71Å; K68-I70 HydrophobicContact CB-CG1 3.63Å; K68-I70 HydrophobicContact CD-CD1 4Å; K68-I70 HydrophobicContact CG-CD1 4.47Å; K68-I70 PolarHBondContact O-N 2.83Å |
| 69 | N | 93.5 | Very high | 93.7 | Very high | 137 Ų | 137 | 86.9 Ų | 86.9 | 73% | 0.733 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 42 | -176.1 | -61.6 | -48.2 | 0 | 0 | 0 | 113.8 | I65 C66 | I65-N69 WeakPolarHBondContact O-CA 3.46Å; I65-N69 PolarHBondContact O-N 3.03Å; C66-N69 PolarHBondContact O-OD1 2.96Å |
| 70 | I | 93.3 | Very high | 93.8 | Very high | 44 Ų | 44 | 80.5 Ų | 80.5 | 23% | 0.226 | 37% | 0.374 | C | S | . | . | trans | -73.8 | 126.2 | -174 | -61.1 | 161.4 | 0 | 0 | 0 | 109.8 | F64 I65 K68 L79 | F64-I70 HydrophobicContact CD1-CD1 4.14Å; F64-I70 HydrophobicContact CE1-CD1 3.52Å; F64-I70 HydrophobicContact CZ-CD1 4.11Å; I65-I70 HydrophobicContact CG2-CB 4.33Å; I65-I70 PolarHBondContact O-N 3.1Å; K68-I70 HydrophobicContact CB-CD1 3.71Å; K68-I70 HydrophobicContact CB-CG1 3.63Å; K68-I70 HydrophobicContact CD-CD1 4Å; K68-I70 HydrophobicContact CG-CD1 4.47Å; K68-I70 PolarHBondContact O-N 2.83Å; I70-L79 HydrophobicContact CG2-CD2 3.81Å | ||
| 71 | P | 94.6 | Very high | 94 | Very high | 92 Ų | 92 | 70.9 Ų | 70.9 | 60% | 0.597 | 34% | 0.338 | S | S | * | . | trans | -66.3 | 134.8 | 174.4 | 27.6 | -33.7 | 0 | 0 | 0 | 110.7 | ||||
| 72 | L | 95.1 | Very high | 94.2 | Very high | 14 Ų | 14 | 64.1 Ų | 64.1 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | trans | -109.8 | 111.1 | -176.2 | -59.6 | -178.2 | 0 | 0 | 0 | 111.3 | I65 L79 M103 R106 I107 L110 | I65-L72 HydrophobicContact CD1-CD1 4.22Å; I65-L72 HydrophobicContact CD1-CD2 3.96Å; I65-L72 HydrophobicContact CG2-CD1 4.16Å; I65-L72 HydrophobicContact CG2-CD2 4.04Å; I65-L72 HydrophobicContact CG2-CG 4.17Å; L72-L79 HydrophobicContact CD2-CD2 3.66Å; L72-M103 HydrophobicContact CD1-SD 4.46Å; L72-R106 HydrophobicContact CD1-CG 4.33Å; L72-I107 HydrophobicContact CD1-CG1 4.2Å; L72-L110 HydrophobicContact CB-CD1 3.49Å; L72-L110 VanDerWaalsContact CB-CD1 3.49Å; L72-L110 HydrophobicContact CD1-CD1 4.38Å | ||
| 73 | D | 96.9 | Very high | 94.3 | Very high | 72 Ų | 72 | 57.1 Ų | 57.1 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | trans | -120 | 148.5 | 174.3 | -66.8 | -57.5 | 0 | 0 | 0 | 111.2 | K75 N76 | D73-K75 PolarHBondContact O-N 2.92Å; D73-N76 PolarHBondContact O-N 3.05Å | ||
| 74 | Y | 97.8 | Very high | 94.4 | Very high | 48 Ų | 48 | 57 Ų | 57 | 19% | 0.188 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13.4 | 175.6 | 66 | -86.6 | 0 | 0 | 0 | 112.9 | R113 S114 F117 F119 | Y74-R113 HydrophobicContact CD1-CG 4.47Å; Y74-R113 HydrophobicContact CD2-CG 4.3Å; Y74-R113 HydrophobicContact CG-CG 4.06Å; Y74-S114 VanDerWaalsContact O-CB 3.22Å; Y74-S114 WeakPolarHBondContact O-CB 3.19Å; Y74-S114 PolarHBondContact O-OG 2.07Å; Y74-F117 HydrophobicContact CD2-CD2 4.12Å; Y74-F117 AromaticContact CE2-CD2 3.95Å; Y74-F117 HydrophobicContact CE2-CD2 3.95Å; Y74-F117 HydrophobicContact CE2-CE2 4.35Å; Y74-F117 HydrophobicContact CE2-CG 4.44Å; Y74-F119 HydrophobicContact CD2-CD2 4.12Å; Y74-F119 HydrophobicContact CD2-CE2 4.15Å; Y74-F119 HydrophobicContact CE2-CD2 4.24Å; Y74-F119 AromaticContact CE2-CE2 3.79Å; Y74-F119 HydrophobicContact CE2-CE2 3.79Å |
| 75 | K | 97.2 | Very high | 94.6 | Very high | 118 Ų | 118 | 55 Ų | 55 | 51% | 0.513 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -22.1 | 177.9 | -65.8 | 178.5 | -79.7 | -163.8 | 0 | 112.5 | D73 V77 F119 | D73-K75 PolarHBondContact O-N 2.92Å; K75-V77 VanDerWaalsContact C-N 3.3Å; K75-V77 PolarHBondContact O-N 3.48Å; K75-F119 HydrophobicContact CG-CE2 4.44Å; K75-F119 HydrophobicContact CG-CZ 4.48Å |
| 76 | N | 96 | Very high | 94.7 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | trans | -85.1 | 71.8 | -176.2 | -64.8 | -15.3 | 0 | 0 | 0 | 110.7 | D73 R78 L79 L80 | D73-N76 PolarHBondContact O-N 3.05Å; N76-R78 VanDerWaalsContact C-N 3.27Å; N76-R78 PolarHBondContact O-N 3.25Å; N76-L79 HydrophobicContact CB-CB 4.49Å; N76-L79 PolarHBondContact O-N 3.25Å; N76-L80 PolarHBondContact O-N 3.03Å | ||
| 77 | V | 95.8 | Very high | 94.6 | Very high | 18 Ų | 18 | 63.4 Ų | 63.4 | 11% | 0.109 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.6 | -40.2 | -175.2 | -172.6 | 0 | 0 | 0 | 0 | 111.2 | K75 L79 L80 S81 F119 M120 F129 | K75-V77 VanDerWaalsContact C-N 3.3Å; K75-V77 PolarHBondContact O-N 3.48Å; V77-L79 VanDerWaalsContact C-N 3.31Å; V77-L79 PolarHBondContact O-N 3.01Å; V77-L80 PolarHBondContact O-N 3.2Å; V77-L80 VanDerWaalsContact O-N 3.15Å; V77-S81 WeakPolarHBondContact O-CB 3.3Å; V77-S81 PolarHBondContact O-N 3.4Å; V77-F119 HydrophobicContact CG2-CB 3.82Å; V77-F119 VanDerWaalsContact CG2-O 3.22Å; V77-F119 WeakPolarHBondContact CG2-O 3.38Å; V77-M120 HydrophobicContact CG1-CB 4.08Å; V77-M120 HydrophobicContact CG1-CG 4.04Å; V77-F129 HydrophobicContact CB-CE2 4.04Å; V77-F129 HydrophobicContact CB-CZ 4.38Å; V77-F129 HydrophobicContact CG1-CD2 4.29Å; V77-F129 HydrophobicContact CG1-CE2 3.62Å; V77-F129 HydrophobicContact CG1-CZ 4.43Å |
| 78 | R | 94.7 | Very high | 94.7 | Very high | 150 Ų | 150 | 60.2 Ų | 60.2 | 57% | 0.566 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -52.6 | -47.3 | 178.8 | -169.9 | 173.9 | -173.9 | -174.2 | 1 | 112.6 | N76 S81 F129 D132 | N76-R78 VanDerWaalsContact C-N 3.27Å; N76-R78 PolarHBondContact O-N 3.25Å; R78-S81 PolarHBondContact O-OG 3.49Å; R78-F129 HydrophobicContact CB-CD1 4.08Å; R78-F129 HydrophobicContact CB-CE1 3.7Å; R78-F129 HydrophobicContact CB-CZ 4.17Å; R78-F129 HydrophobicContact CG-CD1 3.81Å; R78-F129 HydrophobicContact CG-CE1 3.84Å; R78-D132 WeakPolarHBondContact CG-OD2 3.41Å; R78-D132 IonicContact CZ-OD1 3.11Å; R78-D132 IonicContact NE-OD1 2.59Å; R78-D132 PolarHBondContact NE-OD1 2.82Å; R78-D132 VanDerWaalsContact NE-OD1 3.11Å; R78-D132 IonicContact NE-OD2 2.8Å; R78-D132 PolarHBondContact NE-OD2 3.3Å; R78-D132 IonicContact NH2-OD1 3.62Å; R78-D132 PolarHBondContact NH2-OD1 2.89Å |
| 79 | L | 94.2 | Very high | 94.8 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.9 | -46.6 | 178.3 | -179.5 | 67 | 0 | 0 | 0 | 111.5 | I70 L72 N76 V77 S81 Q82 F83 | I70-L79 HydrophobicContact CG2-CD2 3.81Å; L72-L79 HydrophobicContact CD2-CD2 3.66Å; N76-L79 HydrophobicContact CB-CB 4.49Å; N76-L79 PolarHBondContact O-N 3.25Å; V77-L79 VanDerWaalsContact C-N 3.31Å; V77-L79 PolarHBondContact O-N 3.01Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.2Å; L79-Q82 WeakPolarHBondContact O-CB 3.47Å; L79-Q82 PolarHBondContact O-N 3.45Å; L79-F83 HydrophobicContact CD1-CE2 4.47Å; L79-F83 HydrophobicContact CG-CE2 4.43Å; L79-F83 WeakPolarHBondContact O-CD2 3.35Å |
| 80 | L | 95.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.2 | -33.9 | -178.9 | -65.8 | -178.6 | 0 | 0 | 0 | 112.3 | N76 V77 Q82 F83 I107 L110 I111 M120 | N76-L80 PolarHBondContact O-N 3.03Å; V77-L80 PolarHBondContact O-N 3.2Å; V77-L80 VanDerWaalsContact O-N 3.15Å; L80-Q82 PolarHBondContact O-N 2.77Å; L80-Q82 VanDerWaalsContact O-N 3.16Å; L80-F83 PolarHBondContact O-N 3.15Å; L80-I107 HydrophobicContact CD2-CG2 4.46Å; L80-L110 HydrophobicContact CD1-CB 4.31Å; L80-L110 HydrophobicContact CD2-CB 4.13Å; L80-I111 HydrophobicContact CB-CG1 4.1Å; L80-I111 HydrophobicContact CD1-CG1 4.49Å; L80-I111 HydrophobicContact CD2-CG1 4.05Å; L80-I111 HydrophobicContact CG-CG1 4.43Å; L80-M120 HydrophobicContact CB-SD 4.36Å |
| 81 | S | 94.8 | Very high | 95 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -62.3 | -20.6 | 178.7 | 85.5 | 0 | 0 | 0 | 0 | 113.7 | V77 R78 L79 F83 K125 | V77-S81 WeakPolarHBondContact O-CB 3.3Å; V77-S81 PolarHBondContact O-N 3.4Å; R78-S81 PolarHBondContact O-OG 3.49Å; L79-S81 VanDerWaalsContact C-N 3.26Å; L79-S81 PolarHBondContact O-N 3.2Å; S81-F83 VanDerWaalsContact C-N 3.33Å; S81-K125 WeakPolarHBondContact O-CE 3.31Å; S81-K125 PolarHBondContact O-NZ 3.43Å; S81-K125 WeakPolarHBondContact OG-CE 3.2Å; S81-K125 PolarHBondContact OG-NZ 3.34Å |
| 82 | Q | 93.8 | Very high | 95 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -75.4 | -23 | 176.8 | -63.1 | 173.3 | -5.9 | 0 | 0 | 112.3 | L79 L80 V84 I135 | L79-Q82 WeakPolarHBondContact O-CB 3.47Å; L79-Q82 PolarHBondContact O-N 3.45Å; L80-Q82 PolarHBondContact O-N 2.77Å; L80-Q82 VanDerWaalsContact O-N 3.16Å; Q82-V84 VanDerWaalsContact C-N 3.34Å; Q82-I135 HydrophobicContact CB-CD1 3.78Å; Q82-I135 HydrophobicContact CB-CG1 4.17Å; Q82-I135 HydrophobicContact CG-CD1 4.47Å; Q82-I135 VanDerWaalsContact OE1-CG1 3.26Å |
| 83 | F | 94.4 | Very high | 95 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -92.2 | 7.7 | 178.7 | -59.8 | -73.2 | 0 | 0 | 0 | 113.5 | I65 L79 L80 S81 Y92 T97 M99 I107 I111 I135 F137 | I65-F83 HydrophobicContact CD1-CE2 4.33Å; I65-F83 HydrophobicContact CD1-CZ 3.86Å; I65-F83 HydrophobicContact CG1-CZ 4.45Å; L79-F83 HydrophobicContact CD1-CE2 4.47Å; L79-F83 HydrophobicContact CG-CE2 4.43Å; L79-F83 WeakPolarHBondContact O-CD2 3.35Å; L80-F83 PolarHBondContact O-N 3.15Å; S81-F83 VanDerWaalsContact C-N 3.33Å; F83-Y92 VanDerWaalsContact C-CD2 3.42Å; F83-Y92 WeakPolarHBondContact O-CD2 3.48Å; F83-Y92 PolarHBondContact O-N 3.46Å; F83-T97 HydrophobicContact CD1-CG2 3.96Å; F83-M99 HydrophobicContact CE1-CG 4.48Å; F83-I107 HydrophobicContact CB-CG2 4.09Å; F83-I107 HydrophobicContact CD1-CD1 4.36Å; F83-I107 HydrophobicContact CD2-CD1 4.36Å; F83-I107 HydrophobicContact CD2-CG2 3.82Å; F83-I107 HydrophobicContact CE1-CD1 4.06Å; F83-I107 HydrophobicContact CE2-CD1 4.06Å; F83-I107 HydrophobicContact CE2-CG2 4.44Å; F83-I107 HydrophobicContact CG-CG2 3.92Å; F83-I107 HydrophobicContact CZ-CD1 3.91Å; F83-I111 HydrophobicContact CB-CD1 4.11Å; F83-I135 HydrophobicContact CE1-CD1 4.16Å; F83-I135 HydrophobicContact CZ-CD1 3.93Å; F83-F137 HydrophobicContact CD1-CE1 4.3Å; F83-F137 HydrophobicContact CD1-CZ 4.1Å; F83-F137 HydrophobicContact CE1-CE1 4.27Å; F83-F137 HydrophobicContact CE1-CZ 4.43Å |
| 84 | V | 95 | Very high | 94.8 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -121.3 | 143.5 | -176 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | Q82 G89 R90 I91 Y92 I111 M120 | Q82-V84 VanDerWaalsContact C-N 3.34Å; V84-G89 VanDerWaalsContact CG1-C 3.43Å; V84-G89 VanDerWaalsContact CG1-CA 3.48Å; V84-G89 WeakPolarHBondContact CG1-O 3.41Å; V84-R90 WeakPolarHBondContact CA-O 3.18Å; V84-I91 HydrophobicContact CG2-CG1 4.32Å; V84-Y92 WeakPolarHBondContact O-CE2 3.03Å; V84-I111 HydrophobicContact CG2-CD1 3.9Å; V84-I111 HydrophobicContact CG2-CG2 4.19Å; V84-M120 HydrophobicContact CB-CE 3.84Å; V84-M120 HydrophobicContact CG1-CE 4.13Å; V84-M120 HydrophobicContact CG2-CE 3.62Å; V84-M120 HydrophobicContact CG2-SD 4.5Å |
| 85 | S | 93.5 | Very high | 94.5 | Very high | 18 Ų | 18 | 64.3 Ų | 64.3 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | trans | -63.6 | 130.1 | 173.7 | 173.9 | 0 | 0 | 0 | 0 | 111 | Y87 T88 G89 R90 Y92 | S85-Y87 VanDerWaalsContact C-N 3.31Å; S85-Y87 PolarHBondContact O-N 3.48Å; S85-T88 PolarHBondContact OG-N 3.37Å; S85-T88 PolarHBondContact OG-OG1 3.39Å; S85-G89 WeakPolarHBondContact O-CA 3.41Å; S85-G89 PolarHBondContact O-N 3.2Å; S85-R90 PolarHBondContact N-O 3.11Å; S85-Y92 WeakPolarHBondContact CA-OH 3.3Å | ||
| 86 | P | 93.5 | Very high | 94.3 | Very high | 24 Ų | 24 | 61.3 Ų | 61.3 | 16% | 0.156 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -35.5 | -178.2 | 23.4 | -32.1 | 0 | 0 | 0 | 113.5 | Y92 K125 | P86-Y92 WeakPolarHBondContact CD-OH 3.45Å; P86-K125 HydrophobicContact CB-CB 4.32Å; P86-K125 HydrophobicContact CB-CD 4.45Å; P86-K125 PolarHBondContact O-N 3.16Å |
| 87 | Y | 92.7 | Very high | 94.1 | Very high | 192 Ų | 192 | 58.5 Ų | 58.5 | 75% | 0.753 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -18 | -172.1 | -54.6 | -67.2 | 0 | 0 | 0 | 114.6 | S85 | S85-Y87 VanDerWaalsContact C-N 3.31Å; S85-Y87 PolarHBondContact O-N 3.48Å |
| 88 | T | 93.6 | Very high | 93.9 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | -12.1 | -174.9 | -29.6 | 0 | 0 | 0 | 0 | 112.9 | S85 R90 E123 | S85-T88 PolarHBondContact OG-N 3.37Å; S85-T88 PolarHBondContact OG-OG1 3.39Å; T88-R90 HydrophobicContact CG2-CG 3.76Å; T88-R90 PolarHBondContact O-N 2.89Å; T88-E123 CarbonylContact C-O 2.88Å; T88-E123 WeakPolarHBondContact CA-O 3.47Å |
| 89 | G | 94.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | trans | 64.2 | 10.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V84 S85 R115 F122 E123 | V84-G89 VanDerWaalsContact CG1-C 3.43Å; V84-G89 VanDerWaalsContact CG1-CA 3.48Å; V84-G89 WeakPolarHBondContact CG1-O 3.41Å; S85-G89 WeakPolarHBondContact O-CA 3.41Å; S85-G89 PolarHBondContact O-N 3.2Å; G89-R115 PolarHBondContact O-NH1 2.95Å; G89-R115 VanDerWaalsContact O-NH1 3.13Å; G89-R115 PolarHBondContact O-NH2 3.01Å; G89-F122 WeakPolarHBondContact CA-O 3.36Å; G89-E123 PolarHBondContact N-O 3.05Å | ||
| 90 | R | 95.5 | Very high | 93.8 | Very high | 185 Ų | 185 | 53.7 Ų | 53.7 | 70% | 0.698 | 27% | 0.265 | S | S | * | . | P | Polyproline II helix | trans | -75 | 137.3 | 177.2 | -69.4 | 179.2 | 179.8 | 170.8 | 0.7 | 110.1 | V84 S85 T88 | V84-R90 WeakPolarHBondContact CA-O 3.18Å; S85-R90 PolarHBondContact N-O 3.11Å; T88-R90 HydrophobicContact CG2-CG 3.76Å; T88-R90 PolarHBondContact O-N 2.89Å |
| 91 | I | 96.4 | Very high | 93.9 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 27% | 0.267 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -73 | 129.6 | 175 | -57 | 166.1 | 0 | 0 | 0 | 108.3 | V84 I111 | V84-I91 HydrophobicContact CG2-CG1 4.32Å; I91-I111 HydrophobicContact CD1-CB 4.13Å; I91-I111 HydrophobicContact CD1-CD1 4.3Å; I91-I111 HydrophobicContact CD1-CG2 3.86Å; I91-I111 HydrophobicContact CG1-CD1 4.04Å; I91-I111 HydrophobicContact CG1-CG2 3.97Å; I91-I111 HydrophobicContact CG2-CD1 3.92Å |
| 92 | Y | 95 | Very high | 93.9 | Very high | 57 Ų | 57 | 62.6 Ų | 62.6 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 138.9 | 177.8 | -68 | -56.3 | 0 | 0 | 0 | 111.6 | F83 V84 S85 P86 I96 Q104 F137 | F83-Y92 VanDerWaalsContact C-CD2 3.42Å; F83-Y92 WeakPolarHBondContact O-CD2 3.48Å; F83-Y92 PolarHBondContact O-N 3.46Å; V84-Y92 WeakPolarHBondContact O-CE2 3.03Å; S85-Y92 WeakPolarHBondContact CA-OH 3.3Å; P86-Y92 WeakPolarHBondContact CD-OH 3.45Å; Y92-I96 HydrophobicContact CD1-CD1 3.68Å; Y92-I96 HydrophobicContact CD1-CG2 4.21Å; Y92-I96 HydrophobicContact CE1-CD1 4.45Å; Y92-I96 HydrophobicContact CG-CD1 4.38Å; Y92-I96 HydrophobicContact CG-CG2 4.18Å; Y92-Q104 PolarHBondContact O-NE2 3.26Å; Y92-F137 AromaticContact CD2-CE2 3.85Å; Y92-F137 HydrophobicContact CD2-CE2 3.85Å; Y92-F137 HydrophobicContact CD2-CZ 4.42Å; Y92-F137 HydrophobicContact CE2-CE2 4.05Å |
| 93 | G | 94.3 | Very high | 94 | Very high | 29 Ų | 29 | 63.1 Ų | 63.1 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 167.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H95 I96 T97 | G93-H95 VanDerWaalsContact C-N 3.26Å; G93-H95 PolarHBondContact O-N 2.88Å; G93-I96 PolarHBondContact O-N 3.09Å; G93-T97 PolarHBondContact O-N 3.45Å; G93-T97 PolarHBondContact O-OG1 2.99Å |
| 94 | R | 93.3 | Very high | 94 | Very high | 146 Ų | 146 | 64 Ų | 64 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58 | -35.3 | -179.3 | -178.9 | 178.1 | 177.4 | -101.2 | -2.9 | 113.6 | I96 T97 G98 M99 Q104 | R94-I96 PolarHBondContact O-N 3.01Å; R94-T97 PolarHBondContact O-N 3.34Å; R94-G98 PolarHBondContact O-N 3.31Å; R94-M99 PolarHBondContact NE-O 2.9Å; R94-Q104 HydrophobicContact CB-CG 4.45Å |
| 95 | H | 91.8 | Very high | 94.2 | Very high | 151 Ų | 151 | 70.5 Ų | 70.5 | 70% | 0.699 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65 | -21.2 | 179.8 | 67.1 | -89.9 | 0 | 0 | 0 | 112.7 | G93 T139 | G93-H95 VanDerWaalsContact C-N 3.26Å; G93-H95 PolarHBondContact O-N 2.88Å; H95-T139 WeakPolarHBondContact O-CG2 3.18Å |
| 96 | I | 92.3 | Very high | 94.3 | Very high | 55 Ų | 55 | 76.1 Ų | 76.1 | 28% | 0.282 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -91 | -57.8 | 172.3 | -54.5 | 175.8 | 0 | 0 | 0 | 108.1 | Y92 G93 R94 G98 F137 | Y92-I96 HydrophobicContact CD1-CD1 3.68Å; Y92-I96 HydrophobicContact CD1-CG2 4.21Å; Y92-I96 HydrophobicContact CE1-CD1 4.45Å; Y92-I96 HydrophobicContact CG-CD1 4.38Å; Y92-I96 HydrophobicContact CG-CG2 4.18Å; G93-I96 PolarHBondContact O-N 3.09Å; R94-I96 PolarHBondContact O-N 3.01Å; I96-G98 VanDerWaalsContact C-N 3.28Å; I96-G98 PolarHBondContact O-N 2.81Å; I96-F137 HydrophobicContact CG2-CB 3.91Å; I96-F137 HydrophobicContact CG2-CD2 3.76Å; I96-F137 HydrophobicContact CG2-CG 3.92Å; I96-F137 WeakPolarHBondContact O-CB 3.49Å |
| 97 | T | 92.7 | Very high | 94.5 | Very high | 11 Ų | 11 | 75 Ų | 75 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.6 | -25.5 | -169.6 | 63.6 | 0 | 0 | 0 | 0 | 114.8 | F83 G93 R94 M99 Q104 F137 | F83-T97 HydrophobicContact CD1-CG2 3.96Å; G93-T97 PolarHBondContact O-N 3.45Å; G93-T97 PolarHBondContact O-OG1 2.99Å; R94-T97 PolarHBondContact O-N 3.34Å; T97-M99 PolarHBondContact O-N 2.83Å; T97-Q104 PolarHBondContact OG1-OE1 2.76Å; T97-F137 VanDerWaalsContact CA-CD1 3.46Å; T97-F137 HydrophobicContact CG2-CE1 4.09Å; T97-F137 HydrophobicContact CG2-CZ 4.26Å |
| 98 | G | 91.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 67.3 Ų | 67.3 | 49% | 0.485 | 34% | 0.337 | S | S | . | . | trans | 69.1 | 16.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R94 I96 | R94-G98 PolarHBondContact O-N 3.31Å; I96-G98 VanDerWaalsContact C-N 3.28Å; I96-G98 PolarHBondContact O-N 2.81Å | ||
| 99 | M | 93.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 71.5 Ų | 71.5 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | trans | -81.2 | 155.2 | -173.7 | -65.4 | -61.6 | -62.9 | 0 | 0 | 113.4 | C63 F64 I65 F83 R94 T97 M103 Q104 I107 | C63-M99 HydrophobicContact CB-CE 3.77Å; C63-M99 HydrophobicContact CB-SD 3.87Å; C63-M99 WeakPolarHBondContact SG-CE 3.38Å; F64-M99 HydrophobicContact CB-SD 4.44Å; I65-M99 HydrophobicContact CB-CE 3.73Å; I65-M99 HydrophobicContact CD1-CE 3.35Å; I65-M99 HydrophobicContact CD1-SD 4.39Å; I65-M99 HydrophobicContact CG1-CE 3.5Å; I65-M99 VanDerWaalsContact CG1-CE 3.5Å; I65-M99 HydrophobicContact CG1-SD 4.33Å; F83-M99 HydrophobicContact CE1-CG 4.48Å; R94-M99 PolarHBondContact NE-O 2.9Å; T97-M99 PolarHBondContact O-N 2.83Å; M99-M103 HydrophobicContact CE-CB 3.63Å; M99-M103 HydrophobicContact CE-CG 4.33Å; M99-Q104 HydrophobicContact CB-CB 4.33Å; M99-I107 HydrophobicContact CE-CD1 4.09Å; M99-I107 HydrophobicContact CG-CD1 4.44Å | ||
| 100 | C | 94 | Very high | 95.1 | Very high | 45 Ų | 45 | 72.5 Ų | 72.5 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | trans | -59.9 | 144.1 | 166.8 | -64.9 | 0 | 0 | 0 | 0 | 109.9 | C63 P102 M103 Q104 | C63-C100 HydrophobicContact CB-CB 4.41Å; C100-P102 HydrophobicContact CB-CG 4.16Å; C100-M103 HydrophobicContact CB-CB 4.39Å; C100-M103 HydrophobicContact CB-CG 4.34Å; C100-M103 PolarHBondContact O-N 3.06Å; C100-Q104 PolarHBondContact O-N 3.15Å | ||
| 101 | I | 95.8 | Very high | 95.2 | Very high | 100 Ų | 100 | 63.7 Ų | 63.7 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -48.6 | -48.5 | 177.5 | -59.4 | 170.9 | 0 | 0 | 0 | 113 | M103 Q104 K105 | I101-M103 PolarHBondContact O-N 3Å; I101-Q104 PolarHBondContact O-N 2.76Å; I101-K105 WeakPolarHBondContact O-CG 3.2Å; I101-K105 PolarHBondContact O-N 3.16Å; I101-K105 VanDerWaalsContact O-N 3.16Å |
| 102 | P | 95.9 | Very high | 95.2 | Very high | 90 Ų | 90 | 65.2 Ų | 65.2 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.9 | -39 | 178.6 | 23.7 | -35.2 | 0 | 0 | 0 | 112.9 | C100 K105 R106 | C100-P102 HydrophobicContact CB-CG 4.16Å; P102-K105 PolarHBondContact O-N 3.3Å; P102-R106 WeakPolarHBondContact O-CB 3.37Å; P102-R106 PolarHBondContact O-N 3.44Å |
| 103 | M | 94.9 | Very high | 95.4 | Very high | 47 Ų | 47 | 68 Ų | 68 | 23% | 0.232 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.3 | -40.2 | -179.4 | -68.8 | -60.9 | 157.7 | 0 | 0 | 111.7 | L72 M99 C100 I101 K105 R106 I107 | L72-M103 HydrophobicContact CD1-SD 4.46Å; M99-M103 HydrophobicContact CE-CB 3.63Å; M99-M103 HydrophobicContact CE-CG 4.33Å; C100-M103 HydrophobicContact CB-CB 4.39Å; C100-M103 HydrophobicContact CB-CG 4.34Å; C100-M103 PolarHBondContact O-N 3.06Å; I101-M103 PolarHBondContact O-N 3Å; M103-K105 PolarHBondContact O-N 3.18Å; M103-R106 PolarHBondContact O-N 3.24Å; M103-I107 VanDerWaalsContact O-CG1 3.29Å; M103-I107 WeakPolarHBondContact O-CG1 3.29Å; M103-I107 PolarHBondContact O-N 3.48Å |
| 104 | Q | 96.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 10% | 0.103 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -58.2 | -48.5 | 174.2 | -173.7 | 69.2 | 13.5 | 0 | 0 | 110.9 | Y92 R94 T97 M99 C100 I101 R106 I107 S108 | Y92-Q104 PolarHBondContact O-NE2 3.26Å; R94-Q104 HydrophobicContact CB-CG 4.45Å; T97-Q104 PolarHBondContact OG1-OE1 2.76Å; M99-Q104 HydrophobicContact CB-CB 4.33Å; C100-Q104 PolarHBondContact O-N 3.15Å; I101-Q104 PolarHBondContact O-N 2.76Å; Q104-R106 VanDerWaalsContact C-N 3.32Å; Q104-R106 PolarHBondContact O-N 2.76Å; Q104-I107 PolarHBondContact O-N 3.37Å; Q104-S108 PolarHBondContact O-N 3.2Å; Q104-S108 PolarHBondContact O-OG 2.93Å; Q104-S108 VanDerWaalsContact O-OG 3.08Å |
| 105 | K | 97.4 | Very high | 95.8 | Very high | 139 Ų | 139 | 61 Ų | 61 | 60% | 0.604 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.6 | -41.4 | 176.5 | -71.2 | -178.8 | 179.2 | -176.5 | 0 | 112 | I101 P102 M103 K109 | I101-K105 WeakPolarHBondContact O-CG 3.2Å; I101-K105 PolarHBondContact O-N 3.16Å; I101-K105 VanDerWaalsContact O-N 3.16Å; P102-K105 PolarHBondContact O-N 3.3Å; M103-K105 PolarHBondContact O-N 3.18Å; K105-K109 WeakPolarHBondContact O-CG 3.44Å; K105-K109 PolarHBondContact O-N 2.93Å; K105-K109 VanDerWaalsContact O-N 3.11Å |
| 106 | R | 97 | Very high | 96.1 | Very high | 135 Ų | 135 | 60.6 Ų | 60.6 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 179 | -172.3 | 171.8 | 178.5 | 165.6 | -0.3 | 111.9 | L72 P102 M103 Q104 K109 L110 | L72-R106 HydrophobicContact CD1-CG 4.33Å; P102-R106 WeakPolarHBondContact O-CB 3.37Å; P102-R106 PolarHBondContact O-N 3.44Å; M103-R106 PolarHBondContact O-N 3.24Å; Q104-R106 VanDerWaalsContact C-N 3.32Å; Q104-R106 PolarHBondContact O-N 2.76Å; R106-K109 PolarHBondContact O-N 3.2Å; R106-L110 HydrophobicContact CG-CD1 4.29Å; R106-L110 WeakPolarHBondContact O-CG 3.36Å; R106-L110 PolarHBondContact O-N 3.11Å |
| 107 | I | 96.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -47 | 176.9 | -67 | 165 | 0 | 0 | 0 | 110.7 | I65 L72 L80 F83 M99 M103 Q104 K109 L110 I111 | I65-I107 HydrophobicContact CD1-CD1 3.35Å; I65-I107 HydrophobicContact CD1-CG1 4.01Å; L72-I107 HydrophobicContact CD1-CG1 4.2Å; L80-I107 HydrophobicContact CD2-CG2 4.46Å; F83-I107 HydrophobicContact CB-CG2 4.09Å; F83-I107 HydrophobicContact CD1-CD1 4.36Å; F83-I107 HydrophobicContact CD2-CD1 4.36Å; F83-I107 HydrophobicContact CD2-CG2 3.82Å; F83-I107 HydrophobicContact CE1-CD1 4.06Å; F83-I107 HydrophobicContact CE2-CD1 4.06Å; F83-I107 HydrophobicContact CE2-CG2 4.44Å; F83-I107 HydrophobicContact CG-CG2 3.92Å; F83-I107 HydrophobicContact CZ-CD1 3.91Å; M99-I107 HydrophobicContact CE-CD1 4.09Å; M99-I107 HydrophobicContact CG-CD1 4.44Å; M103-I107 VanDerWaalsContact O-CG1 3.29Å; M103-I107 WeakPolarHBondContact O-CG1 3.29Å; M103-I107 PolarHBondContact O-N 3.48Å; Q104-I107 PolarHBondContact O-N 3.37Å; I107-K109 VanDerWaalsContact C-N 3.3Å; I107-K109 PolarHBondContact O-N 3.4Å; I107-L110 PolarHBondContact O-N 3.47Å; I107-L110 VanDerWaalsContact O-N 3.09Å; I107-I111 HydrophobicContact CG2-CD1 3.63Å; I107-I111 HydrophobicContact CG2-CG1 4.22Å; I107-I111 WeakPolarHBondContact O-CG1 3.25Å; I107-I111 PolarHBondContact O-N 3.38Å |
| 108 | S | 97.3 | Very high | 96.5 | Very high | 31 Ų | 31 | 66.4 Ų | 66.4 | 22% | 0.217 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 178 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | Q104 L110 I111 I112 | Q104-S108 PolarHBondContact O-N 3.2Å; Q104-S108 PolarHBondContact O-OG 2.93Å; Q104-S108 VanDerWaalsContact O-OG 3.08Å; S108-L110 PolarHBondContact O-N 2.9Å; S108-I111 PolarHBondContact O-N 2.82Å; S108-I112 WeakPolarHBondContact O-CD1 3.22Å; S108-I112 VanDerWaalsContact O-CG1 3.23Å; S108-I112 WeakPolarHBondContact O-CG1 3.18Å; S108-I112 PolarHBondContact O-N 2.76Å |
| 109 | K | 98 | Very high | 96.8 | Very high | 155 Ų | 155 | 68.5 Ų | 68.5 | 67% | 0.674 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 174.9 | -72.9 | -179.5 | -179.8 | -171 | 0 | 112.5 | K105 R106 I107 I112 R113 | K105-K109 WeakPolarHBondContact O-CG 3.44Å; K105-K109 PolarHBondContact O-N 2.93Å; K105-K109 VanDerWaalsContact O-N 3.11Å; R106-K109 PolarHBondContact O-N 3.2Å; I107-K109 VanDerWaalsContact C-N 3.3Å; I107-K109 PolarHBondContact O-N 3.4Å; K109-I112 PolarHBondContact O-N 2.8Å; K109-R113 VanDerWaalsContact O-CB 3.29Å; K109-R113 WeakPolarHBondContact O-CB 3.22Å; K109-R113 PolarHBondContact O-N 3.29Å |
| 110 | L | 97.9 | Very high | 96.9 | Very high | 21 Ų | 21 | 68.7 Ų | 68.7 | 11% | 0.11 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 179 | -69.8 | 171.8 | 0 | 0 | 0 | 112.5 | L72 L80 R106 I107 S108 R113 S114 | L72-L110 HydrophobicContact CB-CD1 3.49Å; L72-L110 VanDerWaalsContact CB-CD1 3.49Å; L72-L110 HydrophobicContact CD1-CD1 4.38Å; L80-L110 HydrophobicContact CD1-CB 4.31Å; L80-L110 HydrophobicContact CD2-CB 4.13Å; R106-L110 HydrophobicContact CG-CD1 4.29Å; R106-L110 WeakPolarHBondContact O-CG 3.36Å; R106-L110 PolarHBondContact O-N 3.11Å; I107-L110 PolarHBondContact O-N 3.47Å; I107-L110 VanDerWaalsContact O-N 3.09Å; S108-L110 PolarHBondContact O-N 2.9Å; L110-R113 PolarHBondContact O-N 3.23Å; L110-S114 VanDerWaalsContact O-CB 3.25Å; L110-S114 WeakPolarHBondContact O-CB 3.45Å; L110-S114 PolarHBondContact O-N 3.23Å |
| 111 | I | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 174.7 | -66.3 | 167 | 0 | 0 | 0 | 110.2 | L80 F83 V84 I91 I107 S108 R113 S114 R115 M120 | L80-I111 HydrophobicContact CB-CG1 4.1Å; L80-I111 HydrophobicContact CD1-CG1 4.49Å; L80-I111 HydrophobicContact CD2-CG1 4.05Å; L80-I111 HydrophobicContact CG-CG1 4.43Å; F83-I111 HydrophobicContact CB-CD1 4.11Å; V84-I111 HydrophobicContact CG2-CD1 3.9Å; V84-I111 HydrophobicContact CG2-CG2 4.19Å; I91-I111 HydrophobicContact CD1-CB 4.13Å; I91-I111 HydrophobicContact CD1-CD1 4.3Å; I91-I111 HydrophobicContact CD1-CG2 3.86Å; I91-I111 HydrophobicContact CG1-CD1 4.04Å; I91-I111 HydrophobicContact CG1-CG2 3.97Å; I91-I111 HydrophobicContact CG2-CD1 3.92Å; I107-I111 HydrophobicContact CG2-CD1 3.63Å; I107-I111 HydrophobicContact CG2-CG1 4.22Å; I107-I111 WeakPolarHBondContact O-CG1 3.25Å; I107-I111 PolarHBondContact O-N 3.38Å; S108-I111 PolarHBondContact O-N 2.82Å; I111-R113 VanDerWaalsContact C-N 3.3Å; I111-R113 PolarHBondContact O-N 3.3Å; I111-S114 PolarHBondContact O-N 3.1Å; I111-R115 WeakPolarHBondContact O-CB 3.5Å; I111-R115 VanDerWaalsContact O-CG 3.3Å; I111-R115 WeakPolarHBondContact O-CG 3.45Å; I111-R115 PolarHBondContact O-N 3.14Å; I111-M120 HydrophobicContact CG2-SD 4.16Å |
| 112 | I | 97.8 | Very high | 97 | Very high | 85 Ų | 85 | 69.9 Ų | 69.9 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.4 | -44.6 | 177.5 | -66.7 | 164.7 | 0 | 0 | 0 | 110.3 | S108 K109 R115 Q116 | S108-I112 WeakPolarHBondContact O-CD1 3.22Å; S108-I112 VanDerWaalsContact O-CG1 3.23Å; S108-I112 WeakPolarHBondContact O-CG1 3.18Å; S108-I112 PolarHBondContact O-N 2.76Å; K109-I112 PolarHBondContact O-N 2.8Å; I112-R115 WeakPolarHBondContact O-CB 3.48Å; I112-R115 PolarHBondContact O-N 3.04Å; I112-Q116 WeakPolarHBondContact O-CG 3.29Å; I112-Q116 PolarHBondContact O-N 3.35Å |
| 113 | R | 98.3 | Very high | 96.9 | Very high | 116 Ų | 116 | 73.3 Ų | 73.3 | 44% | 0.438 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 176.2 | -172.5 | 173.8 | 180 | 162.7 | 3.9 | 111.9 | Y74 K109 L110 I111 R115 Q116 F117 | Y74-R113 HydrophobicContact CD1-CG 4.47Å; Y74-R113 HydrophobicContact CD2-CG 4.3Å; Y74-R113 HydrophobicContact CG-CG 4.06Å; K109-R113 VanDerWaalsContact O-CB 3.29Å; K109-R113 WeakPolarHBondContact O-CB 3.22Å; K109-R113 PolarHBondContact O-N 3.29Å; L110-R113 PolarHBondContact O-N 3.23Å; I111-R113 VanDerWaalsContact C-N 3.3Å; I111-R113 PolarHBondContact O-N 3.3Å; R113-R115 VanDerWaalsContact C-N 3.27Å; R113-R115 PolarHBondContact O-N 2.97Å; R113-Q116 PolarHBondContact O-N 2.91Å; R113-F117 HydrophobicContact CG-CD2 3.73Å; R113-F117 HydrophobicContact CG-CE2 3.57Å; R113-F117 WeakPolarHBondContact O-CD2 3.3Å; R113-F117 PolarHBondContact O-N 3.34Å; R113-F117 VanDerWaalsContact O-N 3.1Å |
| 114 | S | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.9 | -42 | 178.3 | -167.6 | 0 | 0 | 0 | 0 | 111.6 | Y74 L110 I111 F117 G118 F119 | Y74-S114 VanDerWaalsContact O-CB 3.22Å; Y74-S114 WeakPolarHBondContact O-CB 3.19Å; Y74-S114 PolarHBondContact O-OG 2.07Å; L110-S114 VanDerWaalsContact O-CB 3.25Å; L110-S114 WeakPolarHBondContact O-CB 3.45Å; L110-S114 PolarHBondContact O-N 3.23Å; I111-S114 PolarHBondContact O-N 3.1Å; S114-F117 PolarHBondContact O-N 3.22Å; S114-G118 PolarHBondContact O-N 3.4Å; S114-F119 PolarHBondContact O-N 3.15Å; S114-F119 WeakPolarHBondContact OG-CB 3.3Å |
| 115 | R | 97.5 | Very high | 96.7 | Very high | 26 Ų | 26 | 74.1 Ų | 74.1 | 10% | 0.098 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -43.6 | 175.3 | -74 | 174.9 | 163.7 | 177.6 | -4.2 | 113.7 | G89 I111 I112 R113 F117 G118 M120 P121 F122 | G89-R115 PolarHBondContact O-NH1 2.95Å; G89-R115 VanDerWaalsContact O-NH1 3.13Å; G89-R115 PolarHBondContact O-NH2 3.01Å; I111-R115 WeakPolarHBondContact O-CB 3.5Å; I111-R115 VanDerWaalsContact O-CG 3.3Å; I111-R115 WeakPolarHBondContact O-CG 3.45Å; I111-R115 PolarHBondContact O-N 3.14Å; I112-R115 WeakPolarHBondContact O-CB 3.48Å; I112-R115 PolarHBondContact O-N 3.04Å; R113-R115 VanDerWaalsContact C-N 3.27Å; R113-R115 PolarHBondContact O-N 2.97Å; R115-F117 VanDerWaalsContact C-N 3.3Å; R115-F117 PolarHBondContact O-N 3.38Å; R115-G118 PolarHBondContact O-N 2.85Å; R115-G118 VanDerWaalsContact O-N 3.13Å; R115-M120 WeakPolarHBondContact CA-O 3.12Å; R115-M120 HydrophobicContact CG-CB 4.26Å; R115-M120 WeakPolarHBondContact CG-O 3.46Å; R115-P121 PolarHBondContact NE-O 3.12Å; R115-P121 VanDerWaalsContact NE-O 3.1Å; R115-P121 PolarHBondContact NH2-O 3.13Å; R115-P121 VanDerWaalsContact NH2-O 3.15Å; R115-F122 HydrophobicContact CB-CD1 4.25Å; R115-F122 HydrophobicContact CB-CD2 4.39Å; R115-F122 HydrophobicContact CB-CE1 3.71Å; R115-F122 HydrophobicContact CB-CE2 3.87Å; R115-F122 HydrophobicContact CB-CZ 3.52Å; R115-F122 HydrophobicContact CG-CD1 4.3Å; R115-F122 HydrophobicContact CG-CE1 4.23Å; R115-F122 HydrophobicContact CG-CZ 4.38Å; R115-F122 PolarHBondContact NH2-O 3.28Å; R115-F122 VanDerWaalsContact NH2-O 3.17Å |
| 116 | Q | 97.7 | Very high | 96.5 | Very high | 144 Ų | 144 | 70.6 Ų | 70.6 | 67% | 0.673 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.4 | -36 | 177.3 | -74.1 | 171.8 | -20.6 | 0 | 0 | 112.8 | I112 R113 G118 | I112-Q116 WeakPolarHBondContact O-CG 3.29Å; I112-Q116 PolarHBondContact O-N 3.35Å; R113-Q116 PolarHBondContact O-N 2.91Å; Q116-G118 VanDerWaalsContact C-N 3.3Å |
| 117 | F | 97.5 | Very high | 96.4 | Very high | 121 Ų | 121 | 68.7 Ų | 68.7 | 53% | 0.531 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -2.9 | 176.7 | -75.8 | -71 | 0 | 0 | 0 | 113.9 | Y74 R113 S114 R115 F119 | Y74-F117 HydrophobicContact CD2-CD2 4.12Å; Y74-F117 AromaticContact CE2-CD2 3.95Å; Y74-F117 HydrophobicContact CE2-CD2 3.95Å; Y74-F117 HydrophobicContact CE2-CE2 4.35Å; Y74-F117 HydrophobicContact CE2-CG 4.44Å; R113-F117 HydrophobicContact CG-CD2 3.73Å; R113-F117 HydrophobicContact CG-CE2 3.57Å; R113-F117 WeakPolarHBondContact O-CD2 3.3Å; R113-F117 PolarHBondContact O-N 3.34Å; R113-F117 VanDerWaalsContact O-N 3.1Å; S114-F117 PolarHBondContact O-N 3.22Å; R115-F117 VanDerWaalsContact C-N 3.3Å; R115-F117 PolarHBondContact O-N 3.38Å; F117-F119 VanDerWaalsContact C-N 3.35Å; F117-F119 HydrophobicContact CB-CD2 3.58Å; F117-F119 HydrophobicContact CB-CE2 3.67Å; F117-F119 HydrophobicContact CG-CE2 4.36Å |
| 118 | G | 96.5 | Very high | 96.2 | Very high | 67 Ų | 67 | 73.9 Ų | 73.9 | 69% | 0.691 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 13.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S114 R115 Q116 | S114-G118 PolarHBondContact O-N 3.4Å; R115-G118 PolarHBondContact O-N 2.85Å; R115-G118 VanDerWaalsContact O-N 3.13Å; Q116-G118 VanDerWaalsContact C-N 3.3Å |
| 119 | F | 96.8 | Very high | 96.1 | Very high | 91 Ų | 91 | 73.9 Ų | 73.9 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -77.2 | -25.8 | 174.6 | -69.6 | -67.6 | 0 | 0 | 0 | 112.8 | Y74 K75 V77 S114 F117 | Y74-F119 HydrophobicContact CD2-CD2 4.12Å; Y74-F119 HydrophobicContact CD2-CE2 4.15Å; Y74-F119 HydrophobicContact CE2-CD2 4.24Å; Y74-F119 AromaticContact CE2-CE2 3.79Å; Y74-F119 HydrophobicContact CE2-CE2 3.79Å; K75-F119 HydrophobicContact CG-CE2 4.44Å; K75-F119 HydrophobicContact CG-CZ 4.48Å; V77-F119 HydrophobicContact CG2-CB 3.82Å; V77-F119 VanDerWaalsContact CG2-O 3.22Å; V77-F119 WeakPolarHBondContact CG2-O 3.38Å; S114-F119 PolarHBondContact O-N 3.15Å; S114-F119 WeakPolarHBondContact OG-CB 3.3Å; F117-F119 VanDerWaalsContact C-N 3.35Å; F117-F119 HydrophobicContact CB-CD2 3.58Å; F117-F119 HydrophobicContact CB-CE2 3.67Å; F117-F119 HydrophobicContact CG-CE2 4.36Å |
| 120 | M | 95.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 71.3 Ų | 71.3 | 3% | 0.03 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -135.4 | 135.9 | -175.7 | -172.1 | 179.7 | -172 | 0 | 0 | 111.5 | V77 L80 V84 I111 R115 | V77-M120 HydrophobicContact CG1-CB 4.08Å; V77-M120 HydrophobicContact CG1-CG 4.04Å; L80-M120 HydrophobicContact CB-SD 4.36Å; V84-M120 HydrophobicContact CB-CE 3.84Å; V84-M120 HydrophobicContact CG1-CE 4.13Å; V84-M120 HydrophobicContact CG2-CE 3.62Å; V84-M120 HydrophobicContact CG2-SD 4.5Å; I111-M120 HydrophobicContact CG2-SD 4.16Å; R115-M120 WeakPolarHBondContact CA-O 3.12Å; R115-M120 HydrophobicContact CG-CB 4.26Å; R115-M120 WeakPolarHBondContact CG-O 3.46Å |
| 121 | P | 96.3 | Very high | 95.4 | Very high | 43 Ų | 43 | 75 Ų | 75 | 28% | 0.279 | 41% | 0.407 | S | S | . | . | trans | -67.6 | 155.5 | 176.1 | 22.2 | -31.4 | 0 | 0 | 0 | 114.6 | R115 S124 E126 | R115-P121 PolarHBondContact NE-O 3.12Å; R115-P121 VanDerWaalsContact NE-O 3.1Å; R115-P121 PolarHBondContact NH2-O 3.13Å; R115-P121 VanDerWaalsContact NH2-O 3.15Å; P121-S124 WeakPolarHBondContact CB-O 3.34Å; P121-S124 WeakPolarHBondContact CG-O 3.46Å; P121-E126 VanDerWaalsContact CD-OE1 3.3Å; P121-E126 WeakPolarHBondContact CD-OE1 3.1Å; P121-E126 HydrophobicContact CG-CG 3.76Å | ||
| 122 | F | 96.3 | Very high | 95.1 | Very high | 128 Ų | 128 | 76 Ų | 76 | 56% | 0.561 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -85.8 | -43.4 | 179.5 | -76.4 | -90.4 | 0 | 0 | 0 | 113.4 | G89 R115 | G89-F122 WeakPolarHBondContact CA-O 3.36Å; R115-F122 HydrophobicContact CB-CD1 4.25Å; R115-F122 HydrophobicContact CB-CD2 4.39Å; R115-F122 HydrophobicContact CB-CE1 3.71Å; R115-F122 HydrophobicContact CB-CE2 3.87Å; R115-F122 HydrophobicContact CB-CZ 3.52Å; R115-F122 HydrophobicContact CG-CD1 4.3Å; R115-F122 HydrophobicContact CG-CE1 4.23Å; R115-F122 HydrophobicContact CG-CZ 4.38Å; R115-F122 PolarHBondContact NH2-O 3.28Å; R115-F122 VanDerWaalsContact NH2-O 3.17Å |
| 123 | E | 94.1 | Very high | 94.7 | Very high | 161 Ų | 161 | 76.9 Ų | 76.9 | 75% | 0.752 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -94.9 | -32.8 | -165.7 | -62.2 | -179.2 | 169.1 | 0 | 0 | 113.8 | T88 G89 | T88-E123 CarbonylContact C-O 2.88Å; T88-E123 WeakPolarHBondContact CA-O 3.47Å; G89-E123 PolarHBondContact N-O 3.05Å |
| 124 | S | 92.3 | Very high | 93.9 | Very high | 62 Ų | 62 | 81 Ų | 81 | 43% | 0.434 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -136.3 | 162.9 | -178.1 | 61.5 | 0 | 0 | 0 | 0 | 110.4 | P121 | P121-S124 WeakPolarHBondContact CB-O 3.34Å; P121-S124 WeakPolarHBondContact CG-O 3.46Å |
| 125 | K | 93.6 | Very high | 93 | Very high | 24 Ų | 24 | 82.2 Ų | 82.2 | 10% | 0.104 | 45% | 0.445 | C | S | . | . | trans | -84.3 | 142.3 | 168.9 | -178.4 | 176.9 | 179.3 | 179.1 | 0 | 109 | S81 P86 S127 F129 | S81-K125 WeakPolarHBondContact O-CE 3.31Å; S81-K125 PolarHBondContact O-NZ 3.43Å; S81-K125 WeakPolarHBondContact OG-CE 3.2Å; S81-K125 PolarHBondContact OG-NZ 3.34Å; P86-K125 HydrophobicContact CB-CB 4.32Å; P86-K125 HydrophobicContact CB-CD 4.45Å; P86-K125 PolarHBondContact O-N 3.16Å; K125-S127 PolarHBondContact O-N 3.35Å; K125-F129 HydrophobicContact CD-CB 4.44Å; K125-F129 WeakPolarHBondContact CE-O 3.43Å; K125-F129 HydrophobicContact CG-CB 4.38Å; K125-F129 PolarHBondContact NZ-O 3.37Å | ||
| 126 | E | 94.1 | Very high | 91.1 | Very high | 65 Ų | 65 | 86 Ų | 86 | 30% | 0.304 | 48% | 0.475 | S | S | . | . | trans | -56.9 | 137 | 174.4 | -67.5 | 170.1 | -142.2 | 0 | 0 | 111.2 | P121 V128 F129 | P121-E126 VanDerWaalsContact CD-OE1 3.3Å; P121-E126 WeakPolarHBondContact CD-OE1 3.1Å; P121-E126 HydrophobicContact CG-CG 3.76Å; E126-V128 PolarHBondContact O-N 2.95Å; E126-F129 HydrophobicContact CB-CD2 3.84Å; E126-F129 HydrophobicContact CB-CE2 4.18Å; E126-F129 PolarHBondContact O-N 2.92Å; E126-F129 WeakPolarHBondContact OE2-CE2 3.48Å | ||
| 127 | S | 93.1 | Very high | 89.4 | Confident | 96 Ų | 96 | 81.4 Ų | 81.4 | 67% | 0.671 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -57.2 | -34.7 | -177.3 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | K125 F129 I130 | K125-S127 PolarHBondContact O-N 3.35Å; S127-F129 PolarHBondContact O-N 3.23Å; S127-I130 PolarHBondContact O-N 3.19Å; S127-I130 VanDerWaalsContact O-N 3.15Å |
| 128 | V | 94 | Very high | 87.3 | Confident | 110 Ų | 110 | 86.4 Ų | 86.4 | 67% | 0.667 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -56.4 | -33 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | E126 | E126-V128 PolarHBondContact O-N 2.95Š|
| 129 | F | 93.9 | Very high | 84.7 | Confident | 30 Ų | 30 | 87.6 Ų | 87.6 | 13% | 0.132 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -99.1 | 1.8 | -176.3 | -55.2 | -47 | 0 | 0 | 0 | 113.5 | V77 R78 K125 E126 S127 A131 D132 | V77-F129 HydrophobicContact CB-CE2 4.04Å; V77-F129 HydrophobicContact CB-CZ 4.38Å; V77-F129 HydrophobicContact CG1-CD2 4.29Å; V77-F129 HydrophobicContact CG1-CE2 3.62Å; V77-F129 HydrophobicContact CG1-CZ 4.43Å; R78-F129 HydrophobicContact CB-CD1 4.08Å; R78-F129 HydrophobicContact CB-CE1 3.7Å; R78-F129 HydrophobicContact CB-CZ 4.17Å; R78-F129 HydrophobicContact CG-CD1 3.81Å; R78-F129 HydrophobicContact CG-CE1 3.84Å; K125-F129 HydrophobicContact CD-CB 4.44Å; K125-F129 WeakPolarHBondContact CE-O 3.43Å; K125-F129 HydrophobicContact CG-CB 4.38Å; K125-F129 PolarHBondContact NZ-O 3.37Å; E126-F129 HydrophobicContact CB-CD2 3.84Å; E126-F129 HydrophobicContact CB-CE2 4.18Å; E126-F129 PolarHBondContact O-N 2.92Å; E126-F129 WeakPolarHBondContact OE2-CE2 3.48Å; S127-F129 PolarHBondContact O-N 3.23Å; F129-A131 VanDerWaalsContact C-N 3.32Å; F129-A131 PolarHBondContact O-N 2.59Å; F129-D132 PolarHBondContact O-N 2.68Å |
| 130 | I | 91 | Very high | 82 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -37.7 | -177.9 | -66.8 | 177.9 | 0 | 0 | 0 | 111.2 | S127 D132 | S127-I130 PolarHBondContact O-N 3.19Å; S127-I130 VanDerWaalsContact O-N 3.15Å; I130-D132 VanDerWaalsContact C-N 3.29Å; I130-D132 PolarHBondContact O-N 3.42Å |
| 131 | A | 89.9 | Confident | 81.3 | Confident | 99 Ų | 99 | 101.4 Ų | 101.4 | 82% | 0.818 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -2.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F129 | F129-A131 VanDerWaalsContact C-N 3.32Å; F129-A131 PolarHBondContact O-N 2.59Å |
| 132 | D | 91.4 | Very high | 80.5 | Confident | 20 Ų | 20 | 104.5 Ų | 104.5 | 11% | 0.107 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -62.3 | 143 | 177 | -81.8 | -31.7 | 0 | 0 | 0 | 110.9 | R78 F129 I130 R134 | R78-D132 WeakPolarHBondContact CG-OD2 3.41Å; R78-D132 IonicContact CZ-OD1 3.11Å; R78-D132 IonicContact NE-OD1 2.59Å; R78-D132 PolarHBondContact NE-OD1 2.82Å; R78-D132 VanDerWaalsContact NE-OD1 3.11Å; R78-D132 IonicContact NE-OD2 2.8Å; R78-D132 PolarHBondContact NE-OD2 3.3Å; R78-D132 IonicContact NH2-OD1 3.62Å; R78-D132 PolarHBondContact NH2-OD1 2.89Å; F129-D132 PolarHBondContact O-N 2.68Å; I130-D132 VanDerWaalsContact C-N 3.29Å; I130-D132 PolarHBondContact O-N 3.42Å; D132-R134 PolarHBondContact O-N 3.09Å; D132-R134 VanDerWaalsContact O-N 3.14Å |
| 133 | P | 89.3 | Confident | 79.6 | Confident | 103 Ų | 103 | 103.2 Ų | 103.2 | 67% | 0.669 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 125 | 175.9 | 25.1 | -33.5 | 0 | 0 | 0 | 109 | I135 | P133-I135 PolarHBondContact O-N 2.91Š|
| 134 | R | 81.8 | Confident | 78.8 | Confident | 202 Ų | 202 | 99.8 Ų | 99.8 | 76% | 0.762 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 124.3 | 173.7 | -64 | -174.2 | -178 | -177.3 | 1.5 | 107.2 | D132 S136 | D132-R134 PolarHBondContact O-N 3.09Å; D132-R134 VanDerWaalsContact O-N 3.14Å; R134-S136 PolarHBondContact O-N 2.98Å |
| 135 | I | 78.8 | Confident | 77.9 | Confident | 27 Ų | 27 | 102.1 Ų | 102.1 | 14% | 0.138 | 52% | 0.521 | C | S | . | . | trans | -56 | 114.1 | 164.6 | -54.8 | 169.4 | 0 | 0 | 0 | 104.4 | F64 Q82 F83 P133 F137 | F64-I135 HydrophobicContact CD1-CD1 4.48Å; F64-I135 HydrophobicContact CD2-CG2 4.35Å; F64-I135 HydrophobicContact CE1-CD1 4.24Å; F64-I135 HydrophobicContact CE2-CG2 4.48Å; F64-I135 HydrophobicContact CG-CG2 4.44Å; Q82-I135 HydrophobicContact CB-CD1 3.78Å; Q82-I135 HydrophobicContact CB-CG1 4.17Å; Q82-I135 HydrophobicContact CG-CD1 4.47Å; Q82-I135 VanDerWaalsContact OE1-CG1 3.26Å; F83-I135 HydrophobicContact CE1-CD1 4.16Å; F83-I135 HydrophobicContact CZ-CD1 3.93Å; P133-I135 PolarHBondContact O-N 2.91Å; I135-F137 VanDerWaalsContact C-N 3.28Å; I135-F137 HydrophobicContact CB-CE1 4.09Å; I135-F137 HydrophobicContact CB-CZ 4.24Å; I135-F137 HydrophobicContact CG2-CD1 4.48Å; I135-F137 HydrophobicContact CG2-CE1 4.21Å; I135-F137 WeakPolarHBondContact O-CD2 3.26Å; I135-F137 WeakPolarHBondContact O-CG 3.37Å; I135-F137 PolarHBondContact O-N 2.9Å | ||
| 136 | S | 58.2 | Low | 76.9 | Confident | 104 Ų | 104 | 107.3 Ų | 107.3 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | trans | -65 | 96.5 | -177.3 | 49.5 | 0 | 0 | 0 | 0 | 108 | R134 R138 | R134-S136 PolarHBondContact O-N 2.98Å; S136-R138 PolarHBondContact O-N 3.16Å | ||
| 137 | F | 62.2 | Low | 75.7 | Confident | 48 Ų | 48 | 110.4 Ų | 110.4 | 21% | 0.211 | 57% | 0.566 | C | S | . | * | trans | -69.8 | 33.8 | 170.4 | -66.2 | -42.9 | 0 | 0 | 0 | 111.3 | F83 Y92 I96 T97 I135 T139 | F83-F137 HydrophobicContact CD1-CE1 4.3Å; F83-F137 HydrophobicContact CD1-CZ 4.1Å; F83-F137 HydrophobicContact CE1-CE1 4.27Å; F83-F137 HydrophobicContact CE1-CZ 4.43Å; Y92-F137 AromaticContact CD2-CE2 3.85Å; Y92-F137 HydrophobicContact CD2-CE2 3.85Å; Y92-F137 HydrophobicContact CD2-CZ 4.42Å; Y92-F137 HydrophobicContact CE2-CE2 4.05Å; I96-F137 HydrophobicContact CG2-CB 3.91Å; I96-F137 HydrophobicContact CG2-CD2 3.76Å; I96-F137 HydrophobicContact CG2-CG 3.92Å; I96-F137 WeakPolarHBondContact O-CB 3.49Å; T97-F137 VanDerWaalsContact CA-CD1 3.46Å; T97-F137 HydrophobicContact CG2-CE1 4.09Å; T97-F137 HydrophobicContact CG2-CZ 4.26Å; I135-F137 VanDerWaalsContact C-N 3.28Å; I135-F137 HydrophobicContact CB-CE1 4.09Å; I135-F137 HydrophobicContact CB-CZ 4.24Å; I135-F137 HydrophobicContact CG2-CD1 4.48Å; I135-F137 HydrophobicContact CG2-CE1 4.21Å; I135-F137 WeakPolarHBondContact O-CD2 3.26Å; I135-F137 WeakPolarHBondContact O-CG 3.37Å; I135-F137 PolarHBondContact O-N 2.9Å; F137-T139 VanDerWaalsContact C-N 3.28Å; F137-T139 PolarHBondContact O-N 2.97Å | ||
| 138 | R | 54 | Low | 74.3 | Confident | 226 Ų | 226 | 111.5 Ų | 111.5 | 85% | 0.853 | 56% | 0.558 | S | S | * | * | trans | -78.2 | 88.2 | -178.6 | -170.7 | 170.3 | -91.1 | -176.1 | -5.8 | 107.5 | S136 R140 | S136-R138 PolarHBondContact O-N 3.16Å; R138-R140 PolarHBondContact O-N 2.96Å; R138-R140 VanDerWaalsContact O-N 3.1Å | ||
| 139 | T | 41.5 | Very low | 72.7 | Confident | 92 Ų | 92 | 111.6 Ų | 111.6 | 56% | 0.564 | 55% | 0.549 | S | S | * | . | trans | -60.1 | 99.1 | 161.7 | 45.2 | 0 | 0 | 0 | 0 | 109.9 | H95 F137 | H95-T139 WeakPolarHBondContact O-CG2 3.18Å; F137-T139 VanDerWaalsContact C-N 3.28Å; F137-T139 PolarHBondContact O-N 2.97Å | ||
| 140 | R | 40.3 | Very low | 70.8 | Confident | 286 Ų | 286 | 119 Ų | 119 | 100% | 1.079 | 59% | 0.587 | S | S | * | * | trans | -159.4 | 0 | 141.5 | -106.3 | -175.4 | -151.3 | -177.8 | 6.9 | 108.8 | K61 R138 | K61-R140 PolarHBondContact NZ-OXT 3.49Å; R138-R140 PolarHBondContact O-N 2.96Å; R138-R140 VanDerWaalsContact O-N 3.1Å |
Retrieved 140 of 140 residues in 23.7 ms
(Link to these results)