| 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 | 44.8 | Very low | 52.2 | Low | 237 Ų | 237 | 133.8 Ų | 133.8 | 100% | 1.167 | 76% | 0.757 | S | S | * | * | 0 | 26.8 | 0 | -76.3 | 177.6 | 162.7 | 0 | 0 | 113.1 | |||||
| 2 | N | 50.6 | Low | 51.6 | Low | 144 Ų | 144 | 127.6 Ų | 127.6 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | -132.3 | 28.7 | -169.4 | -66.4 | -29.7 | 0 | 0 | 0 | 114.9 | ||||
| 3 | I | 61.4 | Low | 51.5 | Low | 163 Ų | 163 | 133.5 Ų | 133.5 | 84% | 0.836 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -98 | -13 | -178.1 | -86.3 | 151.4 | 0 | 0 | 0 | 113.5 | ||
| 4 | S | 54 | Low | 51.2 | Low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -94.1 | -8.8 | -172.1 | -152.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 5 | L | 53.2 | Low | 50.6 | Low | 140 Ų | 140 | 146.7 Ų | 146.7 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -97 | -10.9 | -175.8 | -87.9 | 159.9 | 0 | 0 | 0 | 114.5 | ||
| 6 | M | 54.2 | Low | 49.9 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 61% | 0.606 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -87.1 | -19.3 | -178.4 | -72.9 | -97.1 | 94.9 | 0 | 0 | 113.7 | ||
| 7 | S | 52.5 | Low | 49 | Very low | 96 Ų | 96 | 141.9 Ų | 141.9 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -12 | -178.8 | -59.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 8 | T | 52.5 | Low | 48.3 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 68% | 0.681 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -12.4 | -176.6 | -9.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 9 | V | 51.8 | Low | 48.2 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 62% | 0.624 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -22.9 | 179.9 | -157.1 | 0 | 0 | 0 | 0 | 111.8 | C11 | V9-C11 VanDerWaalsContact C-N 3.34Å; V9-C11 PolarHBondContact O-N 3.18Å |
| 10 | L | 50.8 | Low | 47.7 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -6.3 | -178.2 | -100.8 | 91 | 0 | 0 | 0 | 115.9 | L73 | L10-L73 HydrophobicContact CD1-CD2 4.16Å; L10-L73 HydrophobicContact CD2-CD2 3.67Å; L10-L73 HydrophobicContact CG-CD2 3.86Å |
| 11 | C | 48.3 | Very low | 47.5 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 1.2 | 178.2 | -155.1 | 0 | 0 | 0 | 0 | 113.4 | V9 | V9-C11 VanDerWaalsContact C-N 3.34Å; V9-C11 PolarHBondContact O-N 3.18Å |
| 12 | G | 45.1 | Very low | 47.4 | Very low | 59 Ų | 59 | 138.8 Ų | 138.8 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -91.5 | -23.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 13 | F | 50.9 | Low | 46.7 | Very low | 205 Ų | 205 | 137.2 Ų | 137.2 | 90% | 0.899 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -106.6 | -5 | -163.9 | -93.9 | -88.6 | 0 | 0 | 0 | 116.8 | ||
| 14 | R | 46.5 | Very low | 45.5 | Very low | 234 Ų | 234 | 133.4 Ų | 133.4 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -100 | 14.7 | -176.1 | -119.5 | -178.6 | 168.1 | -176.1 | 0.1 | 115.9 | ||
| 15 | R | 41.9 | Very low | 45.2 | Very low | 230 Ų | 230 | 136.2 Ų | 136.2 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | trans | -136.1 | 12.4 | -167.8 | -120.8 | -179.5 | -171.3 | -174.7 | 2.5 | 119 | ||||
| 16 | A | 40.7 | Very low | 44.3 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 88% | 0.884 | 75% | 0.75 | S | S | * | * | trans | -91.3 | 5.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 17 | C | 33.6 | Very low | 44 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 72% | 0.716 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -80.7 | 121.3 | 170.3 | -159.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 18 | L | 36.4 | Very low | 43.3 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 84.1 | 139.7 | 164.7 | -59.8 | 136.1 | 0 | 0 | 0 | 117.4 | ||||
| 19 | I | 46.8 | Very low | 42.9 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | 94.3 | 83.8 | 165.3 | -46.3 | 154.6 | 0 | 0 | 0 | 112.5 | ||||
| 20 | A | 37.8 | Very low | 42.6 | Very low | 78 Ų | 78 | 143.3 Ų | 143.3 | 65% | 0.645 | 79% | 0.785 | S | S | * | * | 80.6 | 146.6 | 86.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 21 | N | 44.4 | Very low | 42.3 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | 88.5 | 89.4 | 164.9 | -43.7 | -43.4 | 0 | 0 | 0 | 113.5 | ||||
| 22 | Y | 41.7 | Very low | 42.1 | Very low | 222 Ų | 222 | 142 Ų | 142 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | 30.3 | 107.2 | 64.5 | -88.5 | -85.4 | 0 | 0 | 0 | 113.2 | |||||
| 23 | S | 35.6 | Very low | 41.9 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 75.9 | 137.7 | 158.6 | 89 | 0 | 0 | 0 | 0 | 118.6 | ||
| 24 | A | 37.6 | Very low | 41.4 | Very low | 84 Ų | 84 | 148.1 Ų | 148.1 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | 68.3 | 90.3 | 145 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 25 | I | 47.2 | Very low | 41.1 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | -120.7 | 83.2 | 135.2 | -56.9 | 178 | 0 | 0 | 0 | 107.5 | ||||
| 26 | S | 34.2 | Very low | 41.3 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -51.4 | 135.6 | 145 | -79.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 27 | K | 47.7 | Very low | 41.3 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -174.2 | 113.2 | 130.7 | -95.7 | 152.8 | -161.2 | -170.5 | 0 | 111.2 | ||||
| 28 | T | 38.7 | Very low | 42.6 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | 63.5 | 97.7 | 133.9 | 61.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 29 | L | 42.5 | Very low | 43.3 | Very low | 185 Ų | 185 | 139 Ų | 139 | 97% | 0.969 | 80% | 0.798 | S | S | * | * | trans | -142.6 | 107.6 | 136.2 | -94.8 | 170 | 0 | 0 | 0 | 108.7 | ||||
| 30 | V | 47.3 | Very low | 43.2 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -96.9 | 139.2 | 178.7 | 162.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 31 | A | 44.7 | Very low | 44 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | trans | 68.4 | 144.9 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 32 | S | 44.1 | Very low | 44.7 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | cis | -159.3 | 162.6 | 22.1 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 33 | K | 39.5 | Very low | 45.3 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -73.9 | 157.7 | -175 | -62.3 | 173.8 | 174.5 | 177.6 | 0 | 113.2 | ||||
| 34 | K | 40.6 | Very low | 46.2 | Very low | 200 Ų | 200 | 143.3 Ų | 143.3 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | trans | 102.6 | 107.2 | 160.4 | -63.9 | 177.5 | 174.7 | -176.6 | 0 | 115.9 | ||||
| 35 | C | 39.5 | Very low | 46.9 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | 178 | 102.3 | 128.4 | -94.4 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 36 | L | 47 | Very low | 47.6 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | 58.2 | 96.7 | 93.6 | -82.9 | 153 | 0 | 0 | 0 | 112.9 | |||||
| 37 | G | 41.6 | Very low | 49.2 | Very low | 81 Ų | 81 | 145 Ų | 145 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 55.8 | 87.5 | 135.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 38 | I | 59.2 | Low | 50.1 | Low | 151 Ų | 151 | 142.1 Ų | 142.1 | 77% | 0.774 | 81% | 0.813 | S | S | * | * | trans | -136 | 127.5 | 156.2 | -35.2 | 173 | 0 | 0 | 0 | 106.9 | F40 | I38-F40 PolarHBondContact O-N 3.28Š| ||
| 39 | P | 51.9 | Low | 51.2 | Low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -66.2 | 121.4 | 179.6 | 27.1 | -33 | 0 | 0 | 0 | 109.3 | K41 | P39-K41 PolarHBondContact O-N 3.45Š| ||
| 40 | F | 45 | Very low | 52.3 | Low | 211 Ų | 211 | 143.2 Ų | 143.2 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -55.9 | 106.1 | 165.9 | -105.5 | -98.6 | 0 | 0 | 0 | 108 | I38 A42 | I38-F40 PolarHBondContact O-N 3.28Å; F40-A42 PolarHBondContact O-N 3.02Å | ||
| 41 | K | 54.5 | Low | 52.7 | Low | 200 Ų | 200 | 145.7 Ų | 145.7 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -64.7 | 116.3 | 161.2 | -85.4 | -178.4 | 175.1 | 176.9 | 0 | 106.5 | P39 F43 | P39-K41 PolarHBondContact O-N 3.45Å; K41-F43 PolarHBondContact O-N 3.08Å | ||
| 42 | A | 57.6 | Low | 53.4 | Low | 96 Ų | 96 | 150.9 Ų | 150.9 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -54.5 | 111 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | F40 | F40-A42 PolarHBondContact O-N 3.02Š| ||
| 43 | F | 54.8 | Low | 54.6 | Low | 184 Ų | 184 | 150 Ų | 150 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | trans | -61.8 | 129.9 | 168.1 | -152.9 | -96.5 | 0 | 0 | 0 | 106.5 | K41 L45 | K41-F43 PolarHBondContact O-N 3.08Å; F43-L45 PolarHBondContact O-N 3.46Å | ||
| 44 | P | 55.6 | Low | 56.2 | Low | 103 Ų | 103 | 148.3 Ų | 148.3 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | -58 | 121.3 | 175.2 | 24.2 | -31 | 0 | 0 | 0 | 107.4 | S46 | P44-S46 PolarHBondContact O-N 3.32Š| ||
| 45 | L | 51.5 | Low | 57.7 | Low | 171 Ų | 171 | 141.3 Ų | 141.3 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | -59.1 | 94.4 | 167.7 | -79.1 | 161.4 | 0 | 0 | 0 | 106.3 | F43 T47 | F43-L45 PolarHBondContact O-N 3.46Å; L45-T47 VanDerWaalsContact C-N 3.35Å; L45-T47 PolarHBondContact O-N 3.08Å | ||
| 46 | S | 62 | Low | 59.7 | Low | 104 Ų | 104 | 143.3 Ų | 143.3 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -65.3 | 103.9 | 167 | 57.9 | 0 | 0 | 0 | 0 | 106 | P44 P48 | P44-S46 PolarHBondContact O-N 3.32Å; S46-P48 WeakPolarHBondContact O-CD 3.46Å | ||
| 47 | T | 67 | Low | 61.4 | Low | 114 Ų | 114 | 139.9 Ų | 139.9 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -52.3 | 121.6 | 167.4 | 38.1 | 0 | 0 | 0 | 0 | 107.7 | L45 C49 | L45-T47 VanDerWaalsContact C-N 3.35Å; L45-T47 PolarHBondContact O-N 3.08Å; T47-C49 PolarHBondContact O-N 3.45Å | ||
| 48 | P | 67.7 | Low | 63.5 | Low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | trans | -66.3 | 105.5 | 174.6 | 26.3 | -31.8 | 0 | 0 | 0 | 107.8 | S46 R50 | S46-P48 WeakPolarHBondContact O-CD 3.46Å; P48-R50 PolarHBondContact O-N 2.98Å | ||
| 49 | C | 62.3 | Low | 65.1 | Low | 92 Ų | 92 | 134.6 Ų | 134.6 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | trans | -65.6 | 117.6 | 166.4 | -68.7 | 0 | 0 | 0 | 0 | 107.2 | T47 F51 | T47-C49 PolarHBondContact O-N 3.45Å; C49-F51 HydrophobicContact CB-CD2 4.22Å; C49-F51 HydrophobicContact CB-CE2 4Å; C49-F51 PolarHBondContact O-N 2.77Å | ||
| 50 | R | 63.9 | Low | 67 | Low | 236 Ų | 236 | 131.7 Ų | 131.7 | 89% | 0.891 | 71% | 0.708 | S | S | * | * | trans | -67 | 88.7 | 166 | -71.4 | -177.2 | 177 | -163.1 | -1.2 | 107.2 | P48 F52 | P48-R50 PolarHBondContact O-N 2.98Å; R50-F52 PolarHBondContact O-N 3.28Å; R50-F52 VanDerWaalsContact O-N 3.11Å | ||
| 51 | F | 56.1 | Low | 69.4 | Low | 185 Ų | 185 | 125.3 Ų | 125.3 | 81% | 0.811 | 69% | 0.687 | S | S | * | * | trans | -61.5 | 113.6 | 161.9 | -77.3 | -87.5 | 0 | 0 | 0 | 106 | C49 A53 | C49-F51 HydrophobicContact CB-CD2 4.22Å; C49-F51 HydrophobicContact CB-CE2 4Å; C49-F51 PolarHBondContact O-N 2.77Å; F51-A53 PolarHBondContact O-N 2.91Å | ||
| 52 | F | 60.3 | Low | 71.2 | Confident | 205 Ų | 205 | 120.1 Ų | 120.1 | 90% | 0.899 | 67% | 0.667 | S | S | * | * | trans | -50.2 | 106.9 | 171.2 | -75.1 | -88.1 | 0 | 0 | 0 | 107.7 | R50 H54 | R50-F52 PolarHBondContact O-N 3.28Å; R50-F52 VanDerWaalsContact O-N 3.11Å; F52-H54 PolarHBondContact O-N 3.34Å | ||
| 53 | A | 68.4 | Low | 73 | Confident | 102 Ų | 102 | 115.6 Ų | 115.6 | 84% | 0.843 | 63% | 0.629 | S | S | * | * | trans | -80.1 | 71.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | F51 G55 | F51-A53 PolarHBondContact O-N 2.91Å; A53-G55 PolarHBondContact O-N 3.01Å | ||
| 54 | H | 72.9 | Confident | 74.9 | Confident | 159 Ų | 159 | 109.6 Ų | 109.6 | 74% | 0.736 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 126.4 | 151.8 | 162.4 | 63.6 | 0 | 0 | 0 | 105.9 | F52 | F52-H54 PolarHBondContact O-N 3.34Š|
| 55 | G | 73.3 | Confident | 76.8 | Confident | 52 Ų | 52 | 109.5 Ų | 109.5 | 54% | 0.536 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 161.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A53 | A53-G55 PolarHBondContact O-N 3.01Š|
| 56 | I | 81.2 | Confident | 78.8 | Confident | 160 Ų | 160 | 105.2 Ų | 105.2 | 82% | 0.821 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 127.5 | 175.7 | -58.6 | 162.8 | 0 | 0 | 0 | 107.7 | L58 | I56-L58 PolarHBondContact O-N 2.87Š|
| 57 | P | 82 | Confident | 80.4 | Confident | 90 Ų | 90 | 100.3 Ų | 100.3 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 131.6 | 178.4 | 25.8 | -34 | 0 | 0 | 0 | 109.2 | T59 | P57-T59 PolarHBondContact O-N 3.44Š|
| 58 | L | 86.2 | Confident | 81.7 | Confident | 52 Ų | 52 | 96.4 Ų | 96.4 | 27% | 0.272 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 122.8 | 177.4 | -65.3 | 172.7 | 0 | 0 | 0 | 108.6 | I56 I63 V138 | I56-L58 PolarHBondContact O-N 2.87Å; L58-I63 HydrophobicContact CB-CD1 4.45Å; L58-I63 HydrophobicContact CB-CG1 4.34Å; L58-V138 HydrophobicContact CB-CG2 4.45Å; L58-V138 WeakPolarHBondContact O-CG2 2.95Å |
| 59 | T | 92.3 | Very high | 82.9 | Confident | 69 Ų | 69 | 94.6 Ų | 94.6 | 42% | 0.423 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -91.9 | 155.5 | 165.7 | 60.8 | 0 | 0 | 0 | 0 | 109.1 | P57 T61 M62 I63 | P57-T59 PolarHBondContact O-N 3.44Å; T59-T61 PolarHBondContact O-N 3.03Å; T59-T61 PolarHBondContact OG1-OG1 3.44Å; T59-M62 WeakPolarHBondContact O-CB 3.44Å; T59-M62 PolarHBondContact O-N 2.93Å; T59-M62 WeakPolarHBondContact OG1-CG 3.46Å; T59-I63 PolarHBondContact O-N 3.24Å |
| 60 | K | 93.1 | Very high | 84.5 | Confident | 57 Ų | 57 | 90.8 Ų | 90.8 | 25% | 0.248 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -53.3 | -42.6 | 178 | -179.5 | 179.8 | 177.2 | 173.6 | 0 | 112.5 | M62 I63 E64 V138 D140 | K60-M62 VanDerWaalsContact C-N 3.28Å; K60-M62 PolarHBondContact O-N 3.03Å; K60-I63 WeakPolarHBondContact O-CB 3.4Å; K60-I63 PolarHBondContact O-N 3.06Å; K60-E64 WeakPolarHBondContact CE-OE1 3.33Å; K60-E64 HydrophobicContact CG-CG 4.4Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.08Å; K60-V138 HydrophobicContact CB-CG1 4.31Å; K60-D140 WeakPolarHBondContact CB-OD1 3.4Å; K60-D140 WeakPolarHBondContact CD-OD1 3.16Å; K60-D140 WeakPolarHBondContact CD-OD2 3.42Å; K60-D140 WeakPolarHBondContact CE-OD2 3.2Å; K60-D140 IonicContact NZ-OD2 2.68Å; K60-D140 PolarHBondContact NZ-OD2 2.89Å |
| 61 | T | 94 | Very high | 85.9 | Confident | 78 Ų | 78 | 79.6 Ų | 79.6 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.5 | -39.8 | 175.7 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | T59 E64 D65 | T59-T61 PolarHBondContact O-N 3.03Å; T59-T61 PolarHBondContact OG1-OG1 3.44Å; T61-E64 PolarHBondContact O-N 2.87Å; T61-D65 WeakPolarHBondContact O-CB 3.24Å; T61-D65 VanDerWaalsContact O-CG 3.29Å; T61-D65 PolarHBondContact O-N 3.3Å |
| 62 | M | 93.5 | Very high | 87.7 | Confident | 91 Ų | 91 | 77 Ų | 77 | 45% | 0.448 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69 | -35.3 | 177.3 | -64.8 | -71.4 | 106 | 0 | 0 | 111.6 | T59 K60 R66 | T59-M62 WeakPolarHBondContact O-CB 3.44Å; T59-M62 PolarHBondContact O-N 2.93Å; T59-M62 WeakPolarHBondContact OG1-CG 3.46Å; K60-M62 VanDerWaalsContact C-N 3.28Å; K60-M62 PolarHBondContact O-N 3.03Å; M62-R66 WeakPolarHBondContact O-CB 3.33Å; M62-R66 WeakPolarHBondContact O-CG 3.21Å; M62-R66 PolarHBondContact O-N 3.17Å; M62-R66 VanDerWaalsContact O-N 3.13Å |
| 63 | I | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.9 | -49 | 176.4 | -62.2 | 173 | 0 | 0 | 0 | 109.6 | L58 T59 K60 D65 R66 V67 F110 L132 V138 | L58-I63 HydrophobicContact CB-CD1 4.45Å; L58-I63 HydrophobicContact CB-CG1 4.34Å; T59-I63 PolarHBondContact O-N 3.24Å; K60-I63 WeakPolarHBondContact O-CB 3.4Å; K60-I63 PolarHBondContact O-N 3.06Å; I63-D65 PolarHBondContact O-N 3.29Å; I63-R66 PolarHBondContact O-N 3.3Å; I63-V67 HydrophobicContact CG2-CG2 4.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.34Å; I63-V67 PolarHBondContact O-N 3.26Å; I63-F110 HydrophobicContact CB-CE1 4.49Å; I63-F110 HydrophobicContact CG1-CE1 4.22Å; I63-F110 HydrophobicContact CG2-CE1 4.2Å; I63-F110 HydrophobicContact CG2-CZ 3.98Å; I63-L132 HydrophobicContact CG2-CB 3.79Å; I63-L132 HydrophobicContact CG2-CD1 3.84Å; I63-L132 HydrophobicContact CG2-CG 4.49Å; I63-V138 HydrophobicContact CD1-CB 4.41Å; I63-V138 HydrophobicContact CD1-CG2 4.36Å |
| 64 | E | 94.7 | Very high | 90.4 | Very high | 58 Ų | 58 | 68.3 Ų | 68.3 | 27% | 0.271 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.6 | -48.5 | 178 | -69.1 | 179.4 | 179.2 | 0 | 0 | 111.9 | K60 T61 R66 V67 M68 I129 | K60-E64 WeakPolarHBondContact CE-OE1 3.33Å; K60-E64 HydrophobicContact CG-CG 4.4Å; K60-E64 WeakPolarHBondContact O-CG 3.49Å; K60-E64 PolarHBondContact O-N 3.08Å; T61-E64 PolarHBondContact O-N 2.87Å; E64-R66 VanDerWaalsContact C-N 3.32Å; E64-R66 PolarHBondContact O-N 3.36Å; E64-V67 PolarHBondContact O-N 3.1Å; E64-M68 VanDerWaalsContact O-CB 3.26Å; E64-M68 WeakPolarHBondContact O-CB 3.3Å; E64-M68 PolarHBondContact O-N 3.44Å; E64-I129 HydrophobicContact CB-CD1 4.45Å; E64-I129 HydrophobicContact CG-CD1 3.94Å; E64-I129 HydrophobicContact CG-CG1 4.27Å; E64-I129 HydrophobicContact CG-CG2 3.78Å |
| 65 | D | 94.8 | Very high | 91.3 | Very high | 101 Ų | 101 | 67.7 Ų | 67.7 | 54% | 0.54 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 179.4 | -76.5 | -26.5 | 0 | 0 | 0 | 112 | T61 I63 L69 | T61-D65 WeakPolarHBondContact O-CB 3.24Å; T61-D65 VanDerWaalsContact O-CG 3.29Å; T61-D65 PolarHBondContact O-N 3.3Å; I63-D65 PolarHBondContact O-N 3.29Å; D65-L69 WeakPolarHBondContact O-CB 3.27Å; D65-L69 PolarHBondContact O-N 3.22Å |
| 66 | R | 94.5 | Very high | 92 | Very high | 81 Ų | 81 | 71.4 Ų | 71.4 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -70.3 | -46.7 | 179.5 | -72.8 | -177.2 | 76 | -170.7 | 1.8 | 112.1 | M62 I63 E64 M68 L69 V70 E109 F110 | M62-R66 WeakPolarHBondContact O-CB 3.33Å; M62-R66 WeakPolarHBondContact O-CG 3.21Å; M62-R66 PolarHBondContact O-N 3.17Å; M62-R66 VanDerWaalsContact O-N 3.13Å; I63-R66 PolarHBondContact O-N 3.3Å; E64-R66 VanDerWaalsContact C-N 3.32Å; E64-R66 PolarHBondContact O-N 3.36Å; R66-M68 VanDerWaalsContact C-N 3.3Å; R66-M68 PolarHBondContact O-N 3.25Å; R66-L69 WeakPolarHBondContact O-CB 3.35Å; R66-L69 PolarHBondContact O-N 2.8Å; R66-L69 VanDerWaalsContact O-N 3.16Å; R66-V70 WeakPolarHBondContact O-CG2 3.36Å; R66-V70 PolarHBondContact O-N 3.45Å; R66-V70 VanDerWaalsContact O-N 3.11Å; R66-E109 IonicContact CZ-OE2 3.66Å; R66-E109 IonicContact NE-OE2 2.75Å; R66-E109 PolarHBondContact NH2-O 2.96Å; R66-E109 IonicContact NH2-OE2 3.87Å; R66-E109 PolarHBondContact NH2-OE2 3.23Å; R66-F110 HydrophobicContact CB-CE2 4.41Å; R66-F110 HydrophobicContact CB-CZ 3.83Å |
| 67 | V | 95.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 175.7 | 173.9 | 0 | 0 | 0 | 0 | 109.8 | I63 E64 L69 V70 L71 F110 I128 I129 L132 | I63-V67 HydrophobicContact CG2-CG2 4.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.34Å; I63-V67 PolarHBondContact O-N 3.26Å; E64-V67 PolarHBondContact O-N 3.1Å; V67-L69 VanDerWaalsContact C-N 3.26Å; V67-L69 PolarHBondContact O-N 3.33Å; V67-V70 PolarHBondContact O-N 3.17Å; V67-L71 HydrophobicContact CG1-CD1 4.25Å; V67-L71 HydrophobicContact CG1-CG 4.41Å; V67-L71 WeakPolarHBondContact O-CG 3.27Å; V67-L71 PolarHBondContact O-N 3.32Å; V67-F110 HydrophobicContact CG2-CE2 3.85Å; V67-F110 HydrophobicContact CG2-CZ 4.07Å; V67-I128 HydrophobicContact CG1-CG2 4.17Å; V67-I128 HydrophobicContact CG2-CG2 4.26Å; V67-I129 HydrophobicContact CB-CG1 4.3Å; V67-I129 HydrophobicContact CG1-CG1 4.33Å; V67-I129 HydrophobicContact CG2-CG1 4.26Å; V67-L132 HydrophobicContact CG2-CD1 3.53Å |
| 68 | M | 94.3 | Very high | 92.9 | Very high | 32 Ų | 32 | 64.8 Ų | 64.8 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.5 | -34 | 178.8 | -168.9 | 64.3 | 167.5 | 0 | 0 | 112.7 | E64 R66 R72 I82 | E64-M68 VanDerWaalsContact O-CB 3.26Å; E64-M68 WeakPolarHBondContact O-CB 3.3Å; E64-M68 PolarHBondContact O-N 3.44Å; R66-M68 VanDerWaalsContact C-N 3.3Å; R66-M68 PolarHBondContact O-N 3.25Å; M68-R72 VanDerWaalsContact O-CG 3.24Å; M68-R72 WeakPolarHBondContact O-CG 3.36Å; M68-R72 PolarHBondContact O-N 3.5Å; M68-R72 VanDerWaalsContact O-N 3.11Å; M68-I82 HydrophobicContact CE-CB 3.57Å; M68-I82 HydrophobicContact CE-CG2 3.56Å; M68-I82 HydrophobicContact SD-CB 4.16Å; M68-I82 HydrophobicContact SD-CG2 3.51Å; M68-I82 VanDerWaalsContact SD-CG2 3.51Å |
| 69 | L | 94 | Very high | 93.1 | Very high | 85 Ų | 85 | 65 Ų | 65 | 45% | 0.445 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 174.6 | -172.3 | 159 | 0 | 0 | 0 | 110.8 | D65 R66 V67 L71 R72 L73 | D65-L69 WeakPolarHBondContact O-CB 3.27Å; D65-L69 PolarHBondContact O-N 3.22Å; R66-L69 WeakPolarHBondContact O-CB 3.35Å; R66-L69 PolarHBondContact O-N 2.8Å; R66-L69 VanDerWaalsContact O-N 3.16Å; V67-L69 VanDerWaalsContact C-N 3.26Å; V67-L69 PolarHBondContact O-N 3.33Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-L71 PolarHBondContact O-N 2.82Å; L69-R72 PolarHBondContact O-N 3.49Å; L69-L73 HydrophobicContact CD2-CD1 3.5Å; L69-L73 VanDerWaalsContact CD2-CD1 3.5Å; L69-L73 HydrophobicContact CD2-CG 4.08Å; L69-L73 WeakPolarHBondContact O-CG 3.45Å; L69-L73 PolarHBondContact O-N 2.9Å; L69-L73 VanDerWaalsContact O-N 3.15Å |
| 70 | V | 94.8 | Very high | 93 | Very high | 12 Ų | 12 | 72.7 Ų | 72.7 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.4 | -47 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 111 | R66 V67 R72 L73 Y74 A105 I106 E109 | R66-V70 WeakPolarHBondContact O-CG2 3.36Å; R66-V70 PolarHBondContact O-N 3.45Å; R66-V70 VanDerWaalsContact O-N 3.11Å; V67-V70 PolarHBondContact O-N 3.17Å; V70-R72 VanDerWaalsContact C-N 3.28Å; V70-R72 PolarHBondContact O-N 3.42Å; V70-L73 PolarHBondContact O-N 3.07Å; V70-L73 VanDerWaalsContact O-N 3.08Å; V70-Y74 PolarHBondContact O-N 3.35Å; V70-A105 HydrophobicContact CG1-CB 3.9Å; V70-I106 HydrophobicContact CG1-CG1 4.09Å; V70-E109 HydrophobicContact CG2-CB 4.4Å; V70-E109 HydrophobicContact CG2-CG 3.55Å |
| 71 | L | 94 | Very high | 92.8 | Very high | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.2 | -36 | 179.8 | -64.2 | -178.9 | 0 | 0 | 0 | 112.6 | V67 L69 L73 Y74 I77 I82 F88 L102 P125 | V67-L71 HydrophobicContact CG1-CD1 4.25Å; V67-L71 HydrophobicContact CG1-CG 4.41Å; V67-L71 WeakPolarHBondContact O-CG 3.27Å; V67-L71 PolarHBondContact O-N 3.32Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-L71 PolarHBondContact O-N 2.82Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-Y74 PolarHBondContact O-N 3.3Å; L71-I77 HydrophobicContact CD2-CD1 4.24Å; L71-I82 HydrophobicContact CB-CD1 4Å; L71-I82 HydrophobicContact CD1-CG2 4.16Å; L71-F88 HydrophobicContact CD1-CE1 4.41Å; L71-F88 HydrophobicContact CD1-CZ 4.44Å; L71-F88 HydrophobicContact CD2-CE1 3.88Å; L71-F88 HydrophobicContact CD2-CZ 4.04Å; L71-L102 HydrophobicContact CD2-CD1 3.72Å; L71-L102 HydrophobicContact CD2-CD2 3.8Å; L71-L102 HydrophobicContact CD2-CG 4.09Å; L71-P125 HydrophobicContact CD1-CB 3.72Å; L71-P125 HydrophobicContact CD1-CG 3.6Å |
| 72 | R | 93.2 | Very high | 92.6 | Very high | 132 Ų | 132 | 72.6 Ų | 72.6 | 50% | 0.498 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -73.2 | -23.5 | 177.1 | -72.9 | 172.7 | -177.7 | 166.3 | 7.1 | 113.6 | M68 L69 V70 Y74 P79 I82 | M68-R72 VanDerWaalsContact O-CG 3.24Å; M68-R72 WeakPolarHBondContact O-CG 3.36Å; M68-R72 PolarHBondContact O-N 3.5Å; M68-R72 VanDerWaalsContact O-N 3.11Å; L69-R72 PolarHBondContact O-N 3.49Å; V70-R72 VanDerWaalsContact C-N 3.28Å; V70-R72 PolarHBondContact O-N 3.42Å; R72-Y74 VanDerWaalsContact C-N 3.34Å; R72-P79 HydrophobicContact CB-CB 4.32Å; R72-P79 HydrophobicContact CG-CB 4.01Å; R72-I82 HydrophobicContact CG-CD1 3.78Å |
| 73 | L | 93.1 | Very high | 92.6 | Very high | 89 Ų | 89 | 70.6 Ų | 70.6 | 47% | 0.466 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -82.7 | -15 | 177.7 | -70.2 | -178.8 | 0 | 0 | 0 | 112.6 | L10 L69 V70 L71 D75 | L10-L73 HydrophobicContact CD1-CD2 4.16Å; L10-L73 HydrophobicContact CD2-CD2 3.67Å; L10-L73 HydrophobicContact CG-CD2 3.86Å; L69-L73 HydrophobicContact CD2-CD1 3.5Å; L69-L73 VanDerWaalsContact CD2-CD1 3.5Å; L69-L73 HydrophobicContact CD2-CG 4.08Å; L69-L73 WeakPolarHBondContact O-CG 3.45Å; L69-L73 PolarHBondContact O-N 2.9Å; L69-L73 VanDerWaalsContact O-N 3.15Å; V70-L73 PolarHBondContact O-N 3.07Å; V70-L73 VanDerWaalsContact O-N 3.08Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L73-D75 PolarHBondContact O-N 3.12Å |
| 74 | Y | 92.9 | Very high | 92.5 | Very high | 35 Ų | 35 | 74.3 Ų | 74.3 | 14% | 0.137 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -77.1 | 123 | -178.5 | -161.3 | -103 | 0 | 0 | 0 | 111.1 | V70 L71 R72 K76 I77 D98 E101 L102 | V70-Y74 PolarHBondContact O-N 3.35Å; L71-Y74 PolarHBondContact O-N 3.3Å; R72-Y74 VanDerWaalsContact C-N 3.34Å; Y74-K76 HydrophobicContact CD1-CB 3.88Å; Y74-K76 HydrophobicContact CD1-CG 4.22Å; Y74-K76 HydrophobicContact CE1-CB 3.75Å; Y74-K76 HydrophobicContact CE1-CG 3.68Å; Y74-K76 PolarHBondContact O-N 3.09Å; Y74-I77 HydrophobicContact CD1-CD1 4.03Å; Y74-I77 HydrophobicContact CD1-CG1 4.03Å; Y74-I77 HydrophobicContact CG-CD1 4.43Å; Y74-I77 PolarHBondContact O-N 3.06Å; Y74-D98 HydrophobicContact CE1-CB 4.33Å; Y74-D98 WeakPolarHBondContact OH-CA 3.26Å; Y74-D98 VanDerWaalsContact OH-CB 3.3Å; Y74-D98 WeakPolarHBondContact OH-CB 3.46Å; Y74-D98 PolarHBondContact OH-O 3.17Å; Y74-D98 PolarHBondContact OH-OD1 3.3Å; Y74-E101 HydrophobicContact CE2-CB 4.2Å; Y74-E101 PolarHBondContact OH-OE2 3.03Å; Y74-L102 HydrophobicContact CD1-CD1 4.33Å; Y74-L102 HydrophobicContact CD2-CD1 4.1Å; Y74-L102 HydrophobicContact CG-CD1 3.94Å |
| 75 | D | 91.1 | Very high | 92.4 | Very high | 145 Ų | 145 | 77.6 Ų | 77.6 | 78% | 0.775 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.2 | -169.1 | -73.5 | -24.9 | 0 | 0 | 0 | 114.4 | L73 | L73-D75 PolarHBondContact O-N 3.12Š|
| 76 | K | 89 | Confident | 92.3 | Very high | 130 Ų | 130 | 73.1 Ų | 73.1 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -12.3 | -178.9 | -56.3 | -62.1 | -172.2 | 174.5 | 0 | 114.2 | Y74 | Y74-K76 HydrophobicContact CD1-CB 3.88Å; Y74-K76 HydrophobicContact CD1-CG 4.22Å; Y74-K76 HydrophobicContact CE1-CB 3.75Å; Y74-K76 HydrophobicContact CE1-CG 3.68Å; Y74-K76 PolarHBondContact O-N 3.09Å |
| 77 | I | 90.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 74.9 Ų | 74.9 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -107.1 | 121.1 | -172.7 | -62.2 | 173.5 | 0 | 0 | 0 | 109.4 | L71 Y74 P79 I82 F92 I94 L102 | L71-I77 HydrophobicContact CD2-CD1 4.24Å; Y74-I77 HydrophobicContact CD1-CD1 4.03Å; Y74-I77 HydrophobicContact CD1-CG1 4.03Å; Y74-I77 HydrophobicContact CG-CD1 4.43Å; Y74-I77 PolarHBondContact O-N 3.06Å; I77-P79 WeakPolarHBondContact O-CD 3.38Å; I77-I82 HydrophobicContact CG2-CD1 3.36Å; I77-I82 HydrophobicContact CG2-CG1 3.34Å; I77-F92 HydrophobicContact CB-CD1 4.45Å; I77-F92 HydrophobicContact CG1-CD1 4.5Å; I77-F92 HydrophobicContact CG2-CD1 3.96Å; I77-F92 HydrophobicContact CG2-CE1 3.66Å; I77-F92 HydrophobicContact CG2-CZ 4.02Å; I77-I94 HydrophobicContact CD1-CD1 3.74Å; I77-I94 HydrophobicContact CG1-CD1 3.71Å; I77-L102 HydrophobicContact CD1-CD1 4.09Å |
| 78 | D | 90.9 | Very high | 92.1 | Very high | 105 Ų | 105 | 74.9 Ų | 74.9 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | trans | -71.5 | 118.9 | 175.6 | -73.2 | -40.1 | 0 | 0 | 0 | 110.9 | Y80 K81 I82 | D78-Y80 PolarHBondContact O-N 3.49Å; D78-K81 HydrophobicContact CB-CB 4.17Å; D78-K81 PolarHBondContact O-N 3.45Å; D78-I82 WeakPolarHBondContact O-CG1 3.49Å | ||
| 79 | P | 90 | Very high | 91.9 | Very high | 58 Ų | 58 | 78 Ų | 78 | 38% | 0.377 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -17.9 | -172.9 | 25.3 | -35.5 | 0 | 0 | 0 | 114 | R72 I77 | R72-P79 HydrophobicContact CB-CB 4.32Å; R72-P79 HydrophobicContact CG-CB 4.01Å; I77-P79 WeakPolarHBondContact O-CD 3.38Å |
| 80 | Y | 89.9 | Confident | 91.9 | Very high | 230 Ų | 230 | 80.4 Ų | 80.4 | 90% | 0.902 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -17.3 | 179.3 | -59.9 | -73.6 | 0 | 0 | 0 | 113.8 | D78 | D78-Y80 PolarHBondContact O-N 3.49Š|
| 81 | K | 89.5 | Confident | 91.7 | Very high | 114 Ų | 114 | 83 Ų | 83 | 50% | 0.496 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -12.6 | -175.9 | -166.1 | -179.7 | 177.6 | -168.2 | 0 | 112.8 | D78 A83 D91 F92 | D78-K81 HydrophobicContact CB-CB 4.17Å; D78-K81 PolarHBondContact O-N 3.45Å; K81-A83 PolarHBondContact O-N 3.23Å; K81-D91 PolarHBondContact NZ-O 2.93Å; K81-F92 HydrophobicContact CB-CE1 4.08Å; K81-F92 HydrophobicContact CD-CE1 4.29Å; K81-F92 HydrophobicContact CG-CE1 4.31Å |
| 82 | I | 90.5 | Very high | 91.6 | Very high | 18 Ų | 18 | 84.6 Ų | 84.6 | 9% | 0.092 | 41% | 0.408 | C | S | . | . | trans | -67.1 | 118.9 | -176.8 | -49.4 | 171 | 0 | 0 | 0 | 110.7 | M68 L71 R72 I77 D78 F92 | M68-I82 HydrophobicContact CE-CB 3.57Å; M68-I82 HydrophobicContact CE-CG2 3.56Å; M68-I82 HydrophobicContact SD-CB 4.16Å; M68-I82 HydrophobicContact SD-CG2 3.51Å; M68-I82 VanDerWaalsContact SD-CG2 3.51Å; L71-I82 HydrophobicContact CB-CD1 4Å; L71-I82 HydrophobicContact CD1-CG2 4.16Å; R72-I82 HydrophobicContact CG-CD1 3.78Å; I77-I82 HydrophobicContact CG2-CD1 3.36Å; I77-I82 HydrophobicContact CG2-CG1 3.34Å; D78-I82 WeakPolarHBondContact O-CG1 3.49Å; I82-F92 HydrophobicContact CG1-CE1 4.4Å; I82-F92 HydrophobicContact CG1-CZ 4.1Å | ||
| 83 | A | 93.2 | Very high | 91.5 | Very high | 49 Ų | 49 | 81.1 Ų | 81.1 | 41% | 0.405 | 41% | 0.412 | S | S | . | . | trans | -121.6 | 153.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | K81 N85 S86 | K81-A83 PolarHBondContact O-N 3.23Å; A83-N85 PolarHBondContact O-N 3.48Å; A83-N85 VanDerWaalsContact O-N 3.14Å; A83-S86 PolarHBondContact N-OG 3.5Å; A83-S86 WeakPolarHBondContact O-CB 3.37Å; A83-S86 PolarHBondContact O-N 3.33Å; A83-S86 PolarHBondContact O-OG 3.35Å | ||
| 84 | L | 92.3 | Very high | 91.4 | Very high | 79 Ų | 79 | 77.3 Ų | 77.3 | 41% | 0.414 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30.7 | 178.8 | -62.7 | 177.7 | 0 | 0 | 0 | 112.7 | P125 Q126 I129 | L84-P125 WeakPolarHBondContact O-CD 3.39Å; L84-Q126 WeakPolarHBondContact O-CB 3.47Å; L84-Q126 PolarHBondContact O-N 2.88Å; L84-I129 HydrophobicContact CD2-CD1 3.76Å |
| 85 | N | 93 | Very high | 91.4 | Very high | 126 Ų | 126 | 79.5 Ų | 79.5 | 67% | 0.674 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 3.8 | -178.4 | -55.1 | -21.5 | 0 | 0 | 0 | 113.4 | A83 Q126 | A83-N85 PolarHBondContact O-N 3.48Å; A83-N85 VanDerWaalsContact O-N 3.14Å; N85-Q126 PolarHBondContact OD1-OE1 3Å |
| 86 | S | 92.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 77.5 Ų | 77.5 | 5% | 0.049 | 40% | 0.404 | C | S | . | . | trans | -72.4 | 144.5 | 179.6 | 60.5 | 0 | 0 | 0 | 0 | 111 | A83 D91 F92 S124 P125 | A83-S86 PolarHBondContact N-OG 3.5Å; A83-S86 WeakPolarHBondContact O-CB 3.37Å; A83-S86 PolarHBondContact O-N 3.33Å; A83-S86 PolarHBondContact O-OG 3.35Å; S86-D91 VanDerWaalsContact CA-OD2 3.26Å; S86-D91 WeakPolarHBondContact CA-OD2 3.46Å; S86-D91 WeakPolarHBondContact CB-OD2 3.32Å; S86-F92 WeakPolarHBondContact OG-CE2 3.33Å; S86-S124 WeakPolarHBondContact O-CA 3.4Å; S86-S124 WeakPolarHBondContact O-CB 3.39Å; S86-P125 WeakPolarHBondContact O-CD 3.47Å | ||
| 87 | R | 92.6 | Very high | 91.5 | Very high | 118 Ų | 118 | 76.6 Ų | 76.6 | 45% | 0.445 | 41% | 0.405 | S | S | . | . | trans | -99.2 | 127.3 | 179.1 | -73.6 | -177.3 | 173.6 | -168.2 | -0.7 | 110.5 | N89 E90 D91 L123 | R87-N89 VanDerWaalsContact C-N 3.32Å; R87-N89 PolarHBondContact O-N 2.93Å; R87-E90 HydrophobicContact CB-CB 4.11Å; R87-E90 HydrophobicContact CB-CG 4.47Å; R87-E90 VanDerWaalsContact CD-CD 3.48Å; R87-E90 WeakPolarHBondContact CD-OE1 3.36Å; R87-E90 WeakPolarHBondContact CD-OE2 3.4Å; R87-E90 IonicContact CZ-OE1 3.81Å; R87-E90 IonicContact NH1-OE1 2.87Å; R87-E90 PolarHBondContact NH1-OE1 3.39Å; R87-E90 IonicContact NH1-OE2 3.95Å; R87-E90 PolarHBondContact O-N 3.23Å; R87-D91 PolarHBondContact N-OD2 2.75Å; R87-D91 WeakPolarHBondContact O-CB 3.49Å; R87-D91 PolarHBondContact O-N 2.84Å; R87-L123 WeakPolarHBondContact CA-O 3.35Å | ||
| 88 | F | 92.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.009 | 41% | 0.41 | C | S | . | . | I | π-helix | trans | -57.2 | -43.5 | -177.2 | -64.7 | -57.7 | 0 | 0 | 0 | 113.1 | L71 F92 G93 I94 L102 L123 P125 I128 | L71-F88 HydrophobicContact CD1-CE1 4.41Å; L71-F88 HydrophobicContact CD1-CZ 4.44Å; L71-F88 HydrophobicContact CD2-CE1 3.88Å; L71-F88 HydrophobicContact CD2-CZ 4.04Å; F88-F92 HydrophobicContact CD1-CD2 4.49Å; F88-F92 PolarHBondContact O-N 2.98Å; F88-G93 PolarHBondContact O-N 3Å; F88-I94 HydrophobicContact CB-CD1 4.14Å; F88-I94 HydrophobicContact CD1-CD1 3.97Å; F88-I94 HydrophobicContact CG-CD1 4.44Å; F88-I94 PolarHBondContact O-N 2.75Å; F88-L102 HydrophobicContact CD1-CD2 4.31Å; F88-L102 HydrophobicContact CE1-CD2 3.93Å; F88-L102 HydrophobicContact CE2-CD2 4.29Å; F88-L102 HydrophobicContact CZ-CD2 3.92Å; F88-L123 VanDerWaalsContact CD2-O 3.32Å; F88-L123 WeakPolarHBondContact CD2-O 3.17Å; F88-L123 PolarHBondContact N-O 3Å; F88-P125 HydrophobicContact CE1-CG 4.06Å; F88-P125 HydrophobicContact CZ-CB 4.49Å; F88-P125 HydrophobicContact CZ-CG 3.76Å; F88-I128 HydrophobicContact CE2-CD1 3.8Å; F88-I128 HydrophobicContact CZ-CD1 3.86Å |
| 89 | N | 91.5 | Very high | 91.8 | Very high | 97 Ų | 97 | 73.6 Ų | 73.6 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | I | π-helix | trans | -75.3 | -41.5 | -177.4 | -60.8 | -9.5 | 0 | 0 | 0 | 112.8 | R87 G93 | R87-N89 VanDerWaalsContact C-N 3.32Å; R87-N89 PolarHBondContact O-N 2.93Å; N89-G93 WeakPolarHBondContact O-CA 3.44Å; N89-G93 PolarHBondContact O-N 3.06Å |
| 90 | E | 92.1 | Very high | 92 | Very high | 136 Ų | 136 | 74.5 Ų | 74.5 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | I | π-helix | trans | -85.1 | -40.5 | -172.4 | -65.7 | 172.5 | -154.9 | 0 | 0 | 112.5 | R87 | R87-E90 HydrophobicContact CB-CB 4.11Å; R87-E90 HydrophobicContact CB-CG 4.47Å; R87-E90 VanDerWaalsContact CD-CD 3.48Å; R87-E90 WeakPolarHBondContact CD-OE1 3.36Å; R87-E90 WeakPolarHBondContact CD-OE2 3.4Å; R87-E90 IonicContact CZ-OE1 3.81Å; R87-E90 IonicContact NH1-OE1 2.87Å; R87-E90 PolarHBondContact NH1-OE1 3.39Å; R87-E90 IonicContact NH1-OE2 3.95Å; R87-E90 PolarHBondContact O-N 3.23Å |
| 91 | D | 92.4 | Very high | 92.2 | Very high | 67 Ų | 67 | 67.9 Ų | 67.9 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -89.2 | -34.5 | -173.7 | -69.8 | -48.4 | 0 | 0 | 0 | 113.3 | K81 S86 R87 | K81-D91 PolarHBondContact NZ-O 2.93Å; S86-D91 VanDerWaalsContact CA-OD2 3.26Å; S86-D91 WeakPolarHBondContact CA-OD2 3.46Å; S86-D91 WeakPolarHBondContact CB-OD2 3.32Å; R87-D91 PolarHBondContact N-OD2 2.75Å; R87-D91 WeakPolarHBondContact O-CB 3.49Å; R87-D91 PolarHBondContact O-N 2.84Å |
| 92 | F | 91.1 | Very high | 92.4 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -111.1 | -17 | -175.5 | -58.2 | -77.6 | 0 | 0 | 0 | 113.1 | I77 K81 I82 S86 F88 I94 | I77-F92 HydrophobicContact CB-CD1 4.45Å; I77-F92 HydrophobicContact CG1-CD1 4.5Å; I77-F92 HydrophobicContact CG2-CD1 3.96Å; I77-F92 HydrophobicContact CG2-CE1 3.66Å; I77-F92 HydrophobicContact CG2-CZ 4.02Å; K81-F92 HydrophobicContact CB-CE1 4.08Å; K81-F92 HydrophobicContact CD-CE1 4.29Å; K81-F92 HydrophobicContact CG-CE1 4.31Å; I82-F92 HydrophobicContact CG1-CE1 4.4Å; I82-F92 HydrophobicContact CG1-CZ 4.1Å; S86-F92 WeakPolarHBondContact OG-CE2 3.33Å; F88-F92 HydrophobicContact CD1-CD2 4.49Å; F88-F92 PolarHBondContact O-N 2.98Å; F92-I94 VanDerWaalsContact C-N 3.26Å; F92-I94 HydrophobicContact CB-CD1 4.05Å; F92-I94 HydrophobicContact CB-CG1 3.79Å; F92-I94 PolarHBondContact O-N 3.31Å |
| 93 | G | 90.6 | Very high | 92.6 | Very high | 58 Ų | 58 | 62 Ų | 62 | 60% | 0.598 | 34% | 0.344 | S | S | * | . | trans | 65.8 | 30.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | F88 N89 | F88-G93 PolarHBondContact O-N 3Å; N89-G93 WeakPolarHBondContact O-CA 3.44Å; N89-G93 PolarHBondContact O-N 3.06Å | ||
| 94 | I | 91.3 | Very high | 92.6 | Very high | 9 Ų | 9 | 64.9 Ų | 64.9 | 5% | 0.046 | 35% | 0.35 | C | S | . | . | trans | -65.1 | 135.1 | 175.9 | -64 | 179.6 | 0 | 0 | 0 | 108.5 | I77 F88 F92 D98 | I77-I94 HydrophobicContact CD1-CD1 3.74Å; I77-I94 HydrophobicContact CG1-CD1 3.71Å; F88-I94 HydrophobicContact CB-CD1 4.14Å; F88-I94 HydrophobicContact CD1-CD1 3.97Å; F88-I94 HydrophobicContact CG-CD1 4.44Å; F88-I94 PolarHBondContact O-N 2.75Å; F92-I94 VanDerWaalsContact C-N 3.26Å; F92-I94 HydrophobicContact CB-CD1 4.05Å; F92-I94 HydrophobicContact CB-CG1 3.79Å; F92-I94 PolarHBondContact O-N 3.31Å; I94-D98 HydrophobicContact CG2-CB 3.44Å; I94-D98 VanDerWaalsContact CG2-CB 3.44Å | ||
| 95 | D | 92.2 | Very high | 92.7 | Very high | 81 Ų | 81 | 62.8 Ų | 62.8 | 43% | 0.433 | 34% | 0.344 | S | S | . | . | trans | -85.6 | 174.8 | 177.2 | 76.9 | 16.6 | 0 | 0 | 0 | 111.9 | L97 D98 H99 | D95-L97 PolarHBondContact O-N 3.49Å; D95-L97 WeakPolarHBondContact OD1-CA 3.36Å; D95-L97 WeakPolarHBondContact OD1-CB 3.34Å; D95-L97 PolarHBondContact OD1-N 3.13Å; D95-D98 WeakPolarHBondContact OD1-CB 3.37Å; D95-D98 PolarHBondContact OD1-N 2.69Å; D95-H99 PolarHBondContact O-N 3.04Å; D95-H99 VanDerWaalsContact O-N 3.08Å | ||
| 96 | S | 91.4 | Very high | 92.9 | Very high | 104 Ų | 104 | 56.9 Ų | 56.9 | 73% | 0.727 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.3 | -22.9 | -178.9 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | V100 | S96-V100 WeakPolarHBondContact O-CG2 3.48Å |
| 97 | L | 92.6 | Very high | 93 | Very high | 111 Ų | 111 | 58.8 Ų | 58.8 | 58% | 0.581 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -81.9 | -46.3 | -179.1 | -177.6 | 62.2 | 0 | 0 | 0 | 110.1 | D95 H99 V100 E101 | D95-L97 PolarHBondContact O-N 3.49Å; D95-L97 WeakPolarHBondContact OD1-CA 3.36Å; D95-L97 WeakPolarHBondContact OD1-CB 3.34Å; D95-L97 PolarHBondContact OD1-N 3.13Å; L97-H99 PolarHBondContact O-N 3.48Å; L97-V100 PolarHBondContact O-N 3.21Å; L97-V100 VanDerWaalsContact O-N 3.08Å; L97-E101 PolarHBondContact O-N 2.87Å |
| 98 | D | 93.5 | Very high | 93.1 | Very high | 27 Ų | 27 | 60.4 Ų | 60.4 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58 | -36.6 | 173.6 | -70.2 | -16.7 | 0 | 0 | 0 | 110.7 | Y74 I94 D95 V100 E101 L102 | Y74-D98 HydrophobicContact CE1-CB 4.33Å; Y74-D98 WeakPolarHBondContact OH-CA 3.26Å; Y74-D98 VanDerWaalsContact OH-CB 3.3Å; Y74-D98 WeakPolarHBondContact OH-CB 3.46Å; Y74-D98 PolarHBondContact OH-O 3.17Å; Y74-D98 PolarHBondContact OH-OD1 3.3Å; I94-D98 HydrophobicContact CG2-CB 3.44Å; I94-D98 VanDerWaalsContact CG2-CB 3.44Å; D95-D98 WeakPolarHBondContact OD1-CB 3.37Å; D95-D98 PolarHBondContact OD1-N 2.69Å; D98-V100 PolarHBondContact O-N 3.11Å; D98-E101 PolarHBondContact O-N 2.73Å; D98-L102 PolarHBondContact O-N 3.11Å |
| 99 | H | 93.2 | Very high | 93.2 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.1 | -42.4 | 174.2 | -174.6 | 73 | 0 | 0 | 0 | 112.9 | D95 L97 E101 L102 V103 S119 F122 | D95-H99 PolarHBondContact O-N 3.04Å; D95-H99 VanDerWaalsContact O-N 3.08Å; L97-H99 PolarHBondContact O-N 3.48Å; H99-E101 VanDerWaalsContact C-N 3.34Å; H99-L102 WeakPolarHBondContact O-CB 3.4Å; H99-L102 PolarHBondContact O-N 3.08Å; H99-V103 WeakPolarHBondContact O-CG2 3.37Å; H99-V103 PolarHBondContact O-N 3.15Å; H99-V103 VanDerWaalsContact O-N 3.1Å; H99-S119 PolarHBondContact NE2-O 2.92Å; H99-F122 PolarHBondContact CE1-O 3.31Å |
| 100 | V | 93.9 | Very high | 93.3 | Very high | 76 Ų | 76 | 59.9 Ų | 59.9 | 46% | 0.461 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 178 | 173.5 | 0 | 0 | 0 | 0 | 111 | S96 L97 D98 V103 M104 | S96-V100 WeakPolarHBondContact O-CG2 3.48Å; L97-V100 PolarHBondContact O-N 3.21Å; L97-V100 VanDerWaalsContact O-N 3.08Å; D98-V100 PolarHBondContact O-N 3.11Å; V100-V103 PolarHBondContact O-N 3.44Å; V100-M104 WeakPolarHBondContact O-CB 3.47Å; V100-M104 PolarHBondContact O-N 2.99Å |
| 101 | E | 93.5 | Very high | 93.3 | Very high | 91 Ų | 91 | 60.2 Ų | 60.2 | 43% | 0.425 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 174.4 | -64.1 | -177.3 | 171.2 | 0 | 0 | 112.2 | Y74 L97 D98 H99 M104 A105 | Y74-E101 HydrophobicContact CE2-CB 4.2Å; Y74-E101 PolarHBondContact OH-OE2 3.03Å; L97-E101 PolarHBondContact O-N 2.87Å; D98-E101 PolarHBondContact O-N 2.73Å; H99-E101 VanDerWaalsContact C-N 3.34Å; E101-M104 PolarHBondContact O-N 3.43Å; E101-A105 PolarHBondContact O-N 3.31Å |
| 102 | L | 93.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 177 | -167.2 | 79.3 | 0 | 0 | 0 | 111.5 | L71 Y74 I77 F88 D98 H99 M104 A105 I106 | L71-L102 HydrophobicContact CD2-CD1 3.72Å; L71-L102 HydrophobicContact CD2-CD2 3.8Å; L71-L102 HydrophobicContact CD2-CG 4.09Å; Y74-L102 HydrophobicContact CD1-CD1 4.33Å; Y74-L102 HydrophobicContact CD2-CD1 4.1Å; Y74-L102 HydrophobicContact CG-CD1 3.94Å; I77-L102 HydrophobicContact CD1-CD1 4.09Å; F88-L102 HydrophobicContact CD1-CD2 4.31Å; F88-L102 HydrophobicContact CE1-CD2 3.93Å; F88-L102 HydrophobicContact CE2-CD2 4.29Å; F88-L102 HydrophobicContact CZ-CD2 3.92Å; D98-L102 PolarHBondContact O-N 3.11Å; H99-L102 WeakPolarHBondContact O-CB 3.4Å; H99-L102 PolarHBondContact O-N 3.08Å; L102-M104 VanDerWaalsContact C-N 3.35Å; L102-A105 PolarHBondContact O-N 3.47Å; L102-I106 HydrophobicContact CG-CD1 4.28Å; L102-I106 WeakPolarHBondContact O-CD1 3.24Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.49Å; L102-I106 VanDerWaalsContact O-N 3.12Å |
| 103 | V | 94.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | H99 V100 A105 I106 E107 I114 F122 | H99-V103 WeakPolarHBondContact O-CG2 3.37Å; H99-V103 PolarHBondContact O-N 3.15Å; H99-V103 VanDerWaalsContact O-N 3.1Å; V100-V103 PolarHBondContact O-N 3.44Å; V103-A105 VanDerWaalsContact C-N 3.29Å; V103-A105 PolarHBondContact O-N 3.35Å; V103-I106 WeakPolarHBondContact O-CB 3.33Å; V103-I106 PolarHBondContact O-N 2.97Å; V103-E107 HydrophobicContact CG1-CG 4.37Å; V103-E107 WeakPolarHBondContact O-CG 3.5Å; V103-E107 PolarHBondContact O-N 3.5Å; V103-I114 HydrophobicContact CG1-CD1 4.42Å; V103-F122 HydrophobicContact CG2-CD2 4.11Å |
| 104 | M | 94.2 | Very high | 93.8 | Very high | 111 Ų | 111 | 62.2 Ų | 62.2 | 55% | 0.547 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.6 | -38.9 | 177.4 | -169.3 | -176.8 | -51.8 | 0 | 0 | 112.4 | V100 E101 L102 I106 E107 E108 | V100-M104 WeakPolarHBondContact O-CB 3.47Å; V100-M104 PolarHBondContact O-N 2.99Å; E101-M104 PolarHBondContact O-N 3.43Å; L102-M104 VanDerWaalsContact C-N 3.35Å; M104-I106 VanDerWaalsContact C-N 3.34Å; M104-E107 PolarHBondContact O-N 3.02Å; M104-E108 PolarHBondContact O-N 3Å; M104-E108 VanDerWaalsContact O-N 3.09Å |
| 105 | A | 95.1 | Very high | 94 | Very high | 34 Ų | 34 | 64.7 Ų | 64.7 | 28% | 0.281 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.8 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V70 E101 L102 V103 E109 | V70-A105 HydrophobicContact CG1-CB 3.9Å; E101-A105 PolarHBondContact O-N 3.31Å; L102-A105 PolarHBondContact O-N 3.47Å; V103-A105 VanDerWaalsContact C-N 3.29Å; V103-A105 PolarHBondContact O-N 3.35Å; A105-E109 WeakPolarHBondContact O-CG 3.42Å; A105-E109 PolarHBondContact O-N 3.13Å |
| 106 | I | 95.7 | Very high | 94 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.7 | -40.3 | 176.5 | -66.8 | 159.6 | 0 | 0 | 0 | 111 | V70 L102 V103 M104 E108 E109 F110 I128 L132 | V70-I106 HydrophobicContact CG1-CG1 4.09Å; L102-I106 HydrophobicContact CG-CD1 4.28Å; L102-I106 WeakPolarHBondContact O-CD1 3.24Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.49Å; L102-I106 VanDerWaalsContact O-N 3.12Å; V103-I106 WeakPolarHBondContact O-CB 3.33Å; V103-I106 PolarHBondContact O-N 2.97Å; M104-I106 VanDerWaalsContact C-N 3.34Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.37Å; I106-E109 PolarHBondContact O-N 3.28Å; I106-F110 HydrophobicContact CG2-CD2 4.1Å; I106-F110 HydrophobicContact CG2-CE2 4.43Å; I106-F110 WeakPolarHBondContact O-CD2 3.41Å; I106-F110 PolarHBondContact O-N 3.3Å; I106-F110 VanDerWaalsContact O-N 3.13Å; I106-I128 HydrophobicContact CD1-CD1 3.8Å; I106-I128 HydrophobicContact CD1-CG2 4.01Å; I106-I128 HydrophobicContact CG2-CG2 4.13Å; I106-L132 HydrophobicContact CG2-CD1 4.3Å |
| 107 | E | 95.7 | Very high | 94.2 | Very high | 47 Ų | 47 | 67.6 Ų | 67.6 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 174.5 | -74 | -179.2 | 150.2 | 0 | 0 | 112.1 | V103 M104 E109 F110 N111 I112 I114 | V103-E107 HydrophobicContact CG1-CG 4.37Å; V103-E107 WeakPolarHBondContact O-CG 3.5Å; V103-E107 PolarHBondContact O-N 3.5Å; M104-E107 PolarHBondContact O-N 3.02Å; E107-E109 PolarHBondContact O-N 3.43Å; E107-F110 PolarHBondContact O-N 3.31Å; E107-N111 VanDerWaalsContact O-CA 3.27Å; E107-N111 WeakPolarHBondContact O-CA 3.3Å; E107-N111 PolarHBondContact O-N 3.08Å; E107-I112 WeakPolarHBondContact CB-O 3.37Å; E107-I112 PolarHBondContact O-N 3.41Å; E107-I114 HydrophobicContact CG-CB 4.22Å; E107-I114 HydrophobicContact CG-CD1 3.88Å; E107-I114 HydrophobicContact CG-CG1 3.83Å; E107-I114 WeakPolarHBondContact OE1-CA 3.46Å; E107-I114 WeakPolarHBondContact OE1-CB 3.17Å; E107-I114 PolarHBondContact OE1-N 3.46Å; E107-I114 VanDerWaalsContact OE1-O 3.14Å |
| 108 | E | 95.1 | Very high | 94.2 | Very high | 152 Ų | 152 | 64.4 Ų | 64.4 | 71% | 0.71 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.5 | -41.6 | 177.5 | -172.7 | 173.4 | -178.2 | 0 | 0 | 111.8 | M104 I106 N111 | M104-E108 PolarHBondContact O-N 3Å; M104-E108 VanDerWaalsContact O-N 3.09Å; I106-E108 VanDerWaalsContact C-N 3.34Å; I106-E108 PolarHBondContact O-N 3.37Å; E108-N111 PolarHBondContact O-N 3.32Å; E108-N111 PolarHBondContact O-ND2 3.47Å |
| 109 | E | 93.3 | Very high | 94.2 | Very high | 75 Ų | 75 | 63.5 Ų | 63.5 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 178.8 | -80.7 | -67.3 | 152.3 | 0 | 0 | 112.9 | R66 V70 A105 I106 E107 N111 | R66-E109 IonicContact CZ-OE2 3.66Å; R66-E109 IonicContact NE-OE2 2.75Å; R66-E109 PolarHBondContact NH2-O 2.96Å; R66-E109 IonicContact NH2-OE2 3.87Å; R66-E109 PolarHBondContact NH2-OE2 3.23Å; V70-E109 HydrophobicContact CG2-CB 4.4Å; V70-E109 HydrophobicContact CG2-CG 3.55Å; A105-E109 WeakPolarHBondContact O-CG 3.42Å; A105-E109 PolarHBondContact O-N 3.13Å; I106-E109 PolarHBondContact O-N 3.28Å; E107-E109 PolarHBondContact O-N 3.43Å; E109-N111 VanDerWaalsContact C-N 3.35Å; E109-N111 PolarHBondContact O-ND2 3.18Å |
| 110 | F | 93.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 68.8 Ų | 68.8 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -87.5 | -7.1 | -178.4 | -70.6 | -84.9 | 0 | 0 | 0 | 113.3 | I63 R66 V67 I106 E107 I112 L132 H136 | I63-F110 HydrophobicContact CB-CE1 4.49Å; I63-F110 HydrophobicContact CG1-CE1 4.22Å; I63-F110 HydrophobicContact CG2-CE1 4.2Å; I63-F110 HydrophobicContact CG2-CZ 3.98Å; R66-F110 HydrophobicContact CB-CE2 4.41Å; R66-F110 HydrophobicContact CB-CZ 3.83Å; V67-F110 HydrophobicContact CG2-CE2 3.85Å; V67-F110 HydrophobicContact CG2-CZ 4.07Å; I106-F110 HydrophobicContact CG2-CD2 4.1Å; I106-F110 HydrophobicContact CG2-CE2 4.43Å; I106-F110 WeakPolarHBondContact O-CD2 3.41Å; I106-F110 PolarHBondContact O-N 3.3Å; I106-F110 VanDerWaalsContact O-N 3.13Å; E107-F110 PolarHBondContact O-N 3.31Å; F110-I112 VanDerWaalsContact C-N 3.32Å; F110-I112 HydrophobicContact CB-CD1 4.27Å; F110-I112 HydrophobicContact CB-CG1 4.05Å; F110-I112 HydrophobicContact CB-CG2 4.31Å; F110-L132 HydrophobicContact CB-CD2 4.29Å; F110-L132 HydrophobicContact CD1-CD2 4.44Å; F110-L132 HydrophobicContact CD2-CD1 3.81Å; F110-L132 HydrophobicContact CD2-CD2 4.06Å; F110-L132 HydrophobicContact CE1-CD1 4.35Å; F110-L132 HydrophobicContact CE2-CD1 3.5Å; F110-L132 VanDerWaalsContact CE2-CD1 3.5Å; F110-L132 HydrophobicContact CG-CD1 4.36Å; F110-L132 HydrophobicContact CG-CD2 4Å; F110-L132 HydrophobicContact CZ-CD1 3.79Å; F110-H136 AromaticContact CD1-NE2 3.87Å |
| 111 | N | 92.7 | Very high | 94.1 | Very high | 143 Ų | 143 | 73.1 Ų | 73.1 | 77% | 0.765 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 49.4 | -174.6 | -61.3 | -90.2 | 0 | 0 | 0 | 111.6 | E107 E108 E109 | E107-N111 VanDerWaalsContact O-CA 3.27Å; E107-N111 WeakPolarHBondContact O-CA 3.3Å; E107-N111 PolarHBondContact O-N 3.08Å; E108-N111 PolarHBondContact O-N 3.32Å; E108-N111 PolarHBondContact O-ND2 3.47Å; E109-N111 VanDerWaalsContact C-N 3.35Å; E109-N111 PolarHBondContact O-ND2 3.18Å |
| 112 | I | 93.2 | Very high | 94.2 | Very high | 25 Ų | 25 | 69.3 Ų | 69.3 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | trans | -125.9 | 159.2 | 178.5 | 63.8 | 171.1 | 0 | 0 | 0 | 110.5 | E107 F110 I114 L132 R135 | E107-I112 WeakPolarHBondContact CB-O 3.37Å; E107-I112 PolarHBondContact O-N 3.41Å; F110-I112 VanDerWaalsContact C-N 3.32Å; F110-I112 HydrophobicContact CB-CD1 4.27Å; F110-I112 HydrophobicContact CB-CG1 4.05Å; F110-I112 HydrophobicContact CB-CG2 4.31Å; I112-I114 HydrophobicContact CD1-CD1 4.08Å; I112-I114 HydrophobicContact CD1-CG1 3.93Å; I112-I114 HydrophobicContact CG1-CG1 4.2Å; I112-L132 HydrophobicContact CD1-CD2 3.37Å; I112-R135 HydrophobicContact CD1-CG 4.49Å | ||
| 113 | E | 95.1 | Very high | 94.1 | Very high | 164 Ų | 164 | 73.3 Ų | 73.3 | 77% | 0.766 | 36% | 0.363 | S | S | * | . | trans | -105.9 | 124 | 171 | -63.9 | 175.8 | 178.7 | 0 | 0 | 109.2 | R135 | E113-R135 PolarHBondContact O-NH2 2.66Š| ||
| 114 | I | 95.6 | Very high | 94.1 | Very high | 11 Ų | 11 | 73.6 Ų | 73.6 | 6% | 0.056 | 37% | 0.366 | C | S | . | . | trans | -108.1 | 124.2 | 177.2 | -54.1 | 176.3 | 0 | 0 | 0 | 108 | V103 E107 I112 D118 F122 Y131 | V103-I114 HydrophobicContact CG1-CD1 4.42Å; E107-I114 HydrophobicContact CG-CB 4.22Å; E107-I114 HydrophobicContact CG-CD1 3.88Å; E107-I114 HydrophobicContact CG-CG1 3.83Å; E107-I114 WeakPolarHBondContact OE1-CA 3.46Å; E107-I114 WeakPolarHBondContact OE1-CB 3.17Å; E107-I114 PolarHBondContact OE1-N 3.46Å; E107-I114 VanDerWaalsContact OE1-O 3.14Å; I112-I114 HydrophobicContact CD1-CD1 4.08Å; I112-I114 HydrophobicContact CD1-CG1 3.93Å; I112-I114 HydrophobicContact CG1-CG1 4.2Å; I114-D118 HydrophobicContact CG2-CB 4.3Å; I114-F122 HydrophobicContact CD1-CE2 4.1Å; I114-F122 HydrophobicContact CD1-CZ 4.44Å; I114-F122 HydrophobicContact CG2-CE2 4.03Å; I114-F122 HydrophobicContact CG2-CZ 4.15Å; I114-Y131 HydrophobicContact CD1-CD1 4.45Å; I114-Y131 HydrophobicContact CD1-CE1 4.1Å; I114-Y131 HydrophobicContact CG1-CE1 3.87Å; I114-Y131 HydrophobicContact CG2-CE1 4.04Å | ||
| 115 | P | 95.8 | Very high | 94.1 | Very high | 62 Ų | 62 | 68.3 Ų | 68.3 | 40% | 0.403 | 34% | 0.34 | S | S | . | . | trans | -69.2 | 146 | 177.4 | 29.6 | -34.1 | 0 | 0 | 0 | 111.3 | M117 D118 S119 | P115-M117 PolarHBondContact O-N 3.14Å; P115-D118 HydrophobicContact CG-CB 4.04Å; P115-D118 VanDerWaalsContact CG-OD2 3.27Å; P115-D118 WeakPolarHBondContact CG-OD2 3.36Å; P115-D118 PolarHBondContact O-N 3.22Å; P115-S119 PolarHBondContact O-N 3.42Å; P115-S119 VanDerWaalsContact O-N 3.08Å | ||
| 116 | D | 93.3 | Very high | 94.1 | Very high | 122 Ų | 122 | 71.7 Ų | 71.7 | 65% | 0.652 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -52.9 | -32 | 180 | -65.7 | -16.7 | 0 | 0 | 0 | 113.8 | D118 S119 Q120 | D116-D118 VanDerWaalsContact C-N 3.3Å; D116-D118 PolarHBondContact O-N 3.24Å; D116-S119 WeakPolarHBondContact CA-OG 3.43Å; D116-S119 PolarHBondContact O-OG 3.16Å; D116-S119 VanDerWaalsContact O-OG 3.06Å; D116-Q120 VanDerWaalsContact O-CG 3.24Å; D116-Q120 WeakPolarHBondContact O-CG 3.41Å; D116-Q120 PolarHBondContact O-N 3.03Å |
| 117 | M | 93.8 | Very high | 94.1 | Very high | 123 Ų | 123 | 74.6 Ų | 74.6 | 61% | 0.606 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -67.2 | -30.6 | 179.7 | -65.7 | -58.6 | -58.9 | 0 | 0 | 113.1 | P115 | P115-M117 PolarHBondContact O-N 3.14Å |
| 118 | D | 94.4 | Very high | 94 | Very high | 44 Ų | 44 | 72.4 Ų | 72.4 | 24% | 0.235 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -89.9 | -37 | 178.5 | -68.2 | -25.3 | 0 | 0 | 0 | 110.5 | I114 P115 D116 Q120 R121 Y131 | I114-D118 HydrophobicContact CG2-CB 4.3Å; P115-D118 HydrophobicContact CG-CB 4.04Å; P115-D118 VanDerWaalsContact CG-OD2 3.27Å; P115-D118 WeakPolarHBondContact CG-OD2 3.36Å; P115-D118 PolarHBondContact O-N 3.22Å; D116-D118 VanDerWaalsContact C-N 3.3Å; D116-D118 PolarHBondContact O-N 3.24Å; D118-Q120 VanDerWaalsContact C-N 3.27Å; D118-Q120 PolarHBondContact O-N 3.4Å; D118-R121 WeakPolarHBondContact O-CB 3.47Å; D118-R121 PolarHBondContact O-N 3.01Å; D118-R121 IonicContact OD1-CZ 3.76Å; D118-R121 IonicContact OD1-NH1 3.78Å; D118-Y131 HydrophobicContact CB-CE2 4.03Å |
| 119 | S | 93.6 | Very high | 94.1 | Very high | 9 Ų | 9 | 65.6 Ų | 65.6 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.7 | -33.4 | 178.5 | 70.8 | 0 | 0 | 0 | 0 | 113.3 | H99 P115 D116 R121 F122 | H99-S119 PolarHBondContact NE2-O 2.92Å; P115-S119 PolarHBondContact O-N 3.42Å; P115-S119 VanDerWaalsContact O-N 3.08Å; D116-S119 WeakPolarHBondContact CA-OG 3.43Å; D116-S119 PolarHBondContact O-OG 3.16Å; D116-S119 VanDerWaalsContact O-OG 3.06Å; S119-R121 PolarHBondContact O-N 3.45Å; S119-F122 PolarHBondContact O-N 2.91Å |
| 120 | Q | 92.7 | Very high | 94.1 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 61% | 0.612 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.3 | 174.4 | -73.7 | 172.1 | 18.3 | 0 | 0 | 113.9 | D116 D118 | D116-Q120 VanDerWaalsContact O-CG 3.24Å; D116-Q120 WeakPolarHBondContact O-CG 3.41Å; D116-Q120 PolarHBondContact O-N 3.03Å; D118-Q120 VanDerWaalsContact C-N 3.27Å; D118-Q120 PolarHBondContact O-N 3.4Å |
| 121 | R | 92.4 | Very high | 94.2 | Very high | 167 Ų | 167 | 67.9 Ų | 67.9 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -11 | -179.3 | -59.4 | 178.3 | -178.7 | 172.3 | 1.2 | 113.2 | D118 S119 L123 | D118-R121 WeakPolarHBondContact O-CB 3.47Å; D118-R121 PolarHBondContact O-N 3.01Å; D118-R121 IonicContact OD1-CZ 3.76Å; D118-R121 IonicContact OD1-NH1 3.78Å; S119-R121 PolarHBondContact O-N 3.45Å; R121-L123 PolarHBondContact O-N 3.23Å |
| 122 | F | 93.7 | Very high | 94.3 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | trans | -73.7 | 93.3 | 179.8 | -60.1 | -30.9 | 0 | 0 | 0 | 110.7 | H99 V103 I114 S119 D127 I128 Y131 | H99-F122 PolarHBondContact CE1-O 3.31Å; V103-F122 HydrophobicContact CG2-CD2 4.11Å; I114-F122 HydrophobicContact CD1-CE2 4.1Å; I114-F122 HydrophobicContact CD1-CZ 4.44Å; I114-F122 HydrophobicContact CG2-CE2 4.03Å; I114-F122 HydrophobicContact CG2-CZ 4.15Å; S119-F122 PolarHBondContact O-N 2.91Å; F122-D127 HydrophobicContact CD1-CB 4.16Å; F122-I128 HydrophobicContact CB-CD1 4.33Å; F122-I128 HydrophobicContact CB-CG1 3.81Å; F122-I128 HydrophobicContact CD1-CG1 4.03Å; F122-I128 HydrophobicContact CD2-CG1 3.93Å; F122-I128 HydrophobicContact CG-CG1 3.67Å; F122-Y131 HydrophobicContact CE1-CD1 4.35Å; F122-Y131 HydrophobicContact CE1-CD2 4.19Å; F122-Y131 AromaticContact CE1-CG 3.82Å; F122-Y131 HydrophobicContact CE1-CG 3.82Å; F122-Y131 AromaticContact CZ-CD1 3.77Å; F122-Y131 HydrophobicContact CZ-CD1 3.77Å; F122-Y131 HydrophobicContact CZ-CD2 4.18Å; F122-Y131 HydrophobicContact CZ-CE1 4.32Å; F122-Y131 AromaticContact CZ-CG 3.7Å; F122-Y131 HydrophobicContact CZ-CG 3.7Å | ||
| 123 | L | 92.7 | Very high | 94.3 | Very high | 85 Ų | 85 | 60.2 Ų | 60.2 | 45% | 0.445 | 29% | 0.293 | S | S | . | . | trans | -91.3 | -28.5 | 177.3 | -61.4 | 179.5 | 0 | 0 | 0 | 111.7 | R87 F88 R121 D127 | R87-L123 WeakPolarHBondContact CA-O 3.35Å; F88-L123 VanDerWaalsContact CD2-O 3.32Å; F88-L123 WeakPolarHBondContact CD2-O 3.17Å; F88-L123 PolarHBondContact N-O 3Å; R121-L123 PolarHBondContact O-N 3.23Å; L123-D127 PolarHBondContact N-OD2 3.13Å | ||
| 124 | S | 93.9 | Very high | 94.3 | Very high | 13 Ų | 13 | 56 Ų | 56 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -134 | 158.1 | -176.7 | 67.8 | 0 | 0 | 0 | 0 | 112.3 | S86 Q126 D127 | S86-S124 WeakPolarHBondContact O-CA 3.4Å; S86-S124 WeakPolarHBondContact O-CB 3.39Å; S124-Q126 PolarHBondContact O-N 3.19Å; S124-D127 PolarHBondContact N-OD2 3.44Å; S124-D127 PolarHBondContact O-N 2.96Å; S124-D127 VanDerWaalsContact O-N 3.13Å; S124-D127 PolarHBondContact OG-N 3.49Å; S124-D127 PolarHBondContact OG-OD2 2.91Å |
| 125 | P | 94.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55 | -33.1 | 171.5 | -26.8 | 34.8 | 0 | 0 | 0 | 113.4 | L71 L84 S86 F88 D127 I128 I129 | L71-P125 HydrophobicContact CD1-CB 3.72Å; L71-P125 HydrophobicContact CD1-CG 3.6Å; L84-P125 WeakPolarHBondContact O-CD 3.39Å; S86-P125 WeakPolarHBondContact O-CD 3.47Å; F88-P125 HydrophobicContact CE1-CG 4.06Å; F88-P125 HydrophobicContact CZ-CB 4.49Å; F88-P125 HydrophobicContact CZ-CG 3.76Å; P125-D127 VanDerWaalsContact C-N 3.34Å; P125-D127 PolarHBondContact O-N 3.23Å; P125-I128 WeakPolarHBondContact O-CB 3.41Å; P125-I128 PolarHBondContact O-N 3.43Å; P125-I129 WeakPolarHBondContact O-CD1 3.26Å; P125-I129 WeakPolarHBondContact O-CG1 3.4Å; P125-I129 PolarHBondContact O-N 3.3Å; P125-I129 VanDerWaalsContact O-N 3.08Å |
| 126 | Q | 95.2 | Very high | 93.9 | Very high | 105 Ų | 105 | 61.6 Ų | 61.6 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 177.4 | -175.2 | 176.8 | 9.3 | 0 | 0 | 112.5 | L84 N85 S124 I128 I129 Q130 | L84-Q126 WeakPolarHBondContact O-CB 3.47Å; L84-Q126 PolarHBondContact O-N 2.88Å; N85-Q126 PolarHBondContact OD1-OE1 3Å; S124-Q126 PolarHBondContact O-N 3.19Å; Q126-I128 VanDerWaalsContact C-N 3.28Å; Q126-I128 PolarHBondContact O-N 3.27Å; Q126-I129 PolarHBondContact O-N 2.96Å; Q126-Q130 PolarHBondContact O-N 3.04Å |
| 127 | D | 95 | Very high | 93.8 | Very high | 62 Ų | 62 | 61.6 Ų | 61.6 | 33% | 0.332 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 179.2 | -57.3 | -45 | 0 | 0 | 0 | 111.2 | F122 L123 S124 P125 Y131 | F122-D127 HydrophobicContact CD1-CB 4.16Å; L123-D127 PolarHBondContact N-OD2 3.13Å; S124-D127 PolarHBondContact N-OD2 3.44Å; S124-D127 PolarHBondContact O-N 2.96Å; S124-D127 VanDerWaalsContact O-N 3.13Å; S124-D127 PolarHBondContact OG-N 3.49Å; S124-D127 PolarHBondContact OG-OD2 2.91Å; P125-D127 VanDerWaalsContact C-N 3.34Å; P125-D127 PolarHBondContact O-N 3.23Å; D127-Y131 WeakPolarHBondContact O-CB 3.45Å; D127-Y131 PolarHBondContact O-N 3.33Å |
| 128 | I | 95.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -47.9 | 177.4 | -60.9 | 168.8 | 0 | 0 | 0 | 110.2 | V67 F88 I106 F122 P125 Q126 Q130 Y131 L132 | V67-I128 HydrophobicContact CG1-CG2 4.17Å; V67-I128 HydrophobicContact CG2-CG2 4.26Å; F88-I128 HydrophobicContact CE2-CD1 3.8Å; F88-I128 HydrophobicContact CZ-CD1 3.86Å; I106-I128 HydrophobicContact CD1-CD1 3.8Å; I106-I128 HydrophobicContact CD1-CG2 4.01Å; I106-I128 HydrophobicContact CG2-CG2 4.13Å; F122-I128 HydrophobicContact CB-CD1 4.33Å; F122-I128 HydrophobicContact CB-CG1 3.81Å; F122-I128 HydrophobicContact CD1-CG1 4.03Å; F122-I128 HydrophobicContact CD2-CG1 3.93Å; F122-I128 HydrophobicContact CG-CG1 3.67Å; P125-I128 WeakPolarHBondContact O-CB 3.41Å; P125-I128 PolarHBondContact O-N 3.43Å; Q126-I128 VanDerWaalsContact C-N 3.28Å; Q126-I128 PolarHBondContact O-N 3.27Å; I128-Q130 VanDerWaalsContact C-N 3.32Å; I128-Q130 PolarHBondContact O-N 3.05Å; I128-Y131 PolarHBondContact O-N 3.18Å; I128-L132 HydrophobicContact CG2-CD1 3.98Å; I128-L132 HydrophobicContact CG2-CG 4.49Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.21Å; I128-L132 PolarHBondContact O-N 3.02Å |
| 129 | I | 95.2 | Very high | 93 | Very high | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 178.8 | -67.6 | 155.9 | 0 | 0 | 0 | 110.3 | E64 V67 L84 P125 Q126 Y131 L132 C133 | E64-I129 HydrophobicContact CB-CD1 4.45Å; E64-I129 HydrophobicContact CG-CD1 3.94Å; E64-I129 HydrophobicContact CG-CG1 4.27Å; E64-I129 HydrophobicContact CG-CG2 3.78Å; V67-I129 HydrophobicContact CB-CG1 4.3Å; V67-I129 HydrophobicContact CG1-CG1 4.33Å; V67-I129 HydrophobicContact CG2-CG1 4.26Å; L84-I129 HydrophobicContact CD2-CD1 3.76Å; P125-I129 WeakPolarHBondContact O-CD1 3.26Å; P125-I129 WeakPolarHBondContact O-CG1 3.4Å; P125-I129 PolarHBondContact O-N 3.3Å; P125-I129 VanDerWaalsContact O-N 3.08Å; Q126-I129 PolarHBondContact O-N 2.96Å; I129-Y131 PolarHBondContact O-N 2.96Å; I129-L132 PolarHBondContact O-N 3.49Å; I129-C133 PolarHBondContact O-N 3.11Å; I129-C133 PolarHBondContact O-SG 3.44Å |
| 130 | Q | 94.5 | Very high | 92 | Very high | 96 Ų | 96 | 70.1 Ų | 70.1 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 178.5 | -175.3 | 60.9 | 54.1 | 0 | 0 | 111.5 | Q126 I128 L132 C133 D134 | Q126-Q130 PolarHBondContact O-N 3.04Å; I128-Q130 VanDerWaalsContact C-N 3.32Å; I128-Q130 PolarHBondContact O-N 3.05Å; Q130-L132 VanDerWaalsContact C-N 3.3Å; Q130-L132 PolarHBondContact O-N 2.94Å; Q130-C133 WeakPolarHBondContact O-CB 3.16Å; Q130-C133 PolarHBondContact O-N 2.88Å; Q130-D134 PolarHBondContact NE2-OD1 2.95Å; Q130-D134 VanDerWaalsContact O-CG 3.29Å; Q130-D134 PolarHBondContact O-N 3.22Å |
| 131 | Y | 95.4 | Very high | 92 | Very high | 41 Ų | 41 | 67.1 Ų | 67.1 | 16% | 0.161 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 177.7 | -179.3 | -90.7 | 0 | 0 | 0 | 112.2 | I114 D118 F122 D127 I128 I129 D134 R135 | I114-Y131 HydrophobicContact CD1-CD1 4.45Å; I114-Y131 HydrophobicContact CD1-CE1 4.1Å; I114-Y131 HydrophobicContact CG1-CE1 3.87Å; I114-Y131 HydrophobicContact CG2-CE1 4.04Å; D118-Y131 HydrophobicContact CB-CE2 4.03Å; F122-Y131 HydrophobicContact CE1-CD1 4.35Å; F122-Y131 HydrophobicContact CE1-CD2 4.19Å; F122-Y131 AromaticContact CE1-CG 3.82Å; F122-Y131 HydrophobicContact CE1-CG 3.82Å; F122-Y131 AromaticContact CZ-CD1 3.77Å; F122-Y131 HydrophobicContact CZ-CD1 3.77Å; F122-Y131 HydrophobicContact CZ-CD2 4.18Å; F122-Y131 HydrophobicContact CZ-CE1 4.32Å; F122-Y131 AromaticContact CZ-CG 3.7Å; F122-Y131 HydrophobicContact CZ-CG 3.7Å; D127-Y131 WeakPolarHBondContact O-CB 3.45Å; D127-Y131 PolarHBondContact O-N 3.33Å; I128-Y131 PolarHBondContact O-N 3.18Å; I129-Y131 PolarHBondContact O-N 2.96Å; Y131-D134 PolarHBondContact O-N 3.22Å; Y131-R135 WeakPolarHBondContact O-CB 3.45Å; Y131-R135 PolarHBondContact O-N 2.97Å |
| 132 | L | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 176.6 | -69.6 | 172.2 | 0 | 0 | 0 | 112.6 | I63 V67 I106 F110 I112 I128 I129 Q130 R135 H136 | I63-L132 HydrophobicContact CG2-CB 3.79Å; I63-L132 HydrophobicContact CG2-CD1 3.84Å; I63-L132 HydrophobicContact CG2-CG 4.49Å; V67-L132 HydrophobicContact CG2-CD1 3.53Å; I106-L132 HydrophobicContact CG2-CD1 4.3Å; F110-L132 HydrophobicContact CB-CD2 4.29Å; F110-L132 HydrophobicContact CD1-CD2 4.44Å; F110-L132 HydrophobicContact CD2-CD1 3.81Å; F110-L132 HydrophobicContact CD2-CD2 4.06Å; F110-L132 HydrophobicContact CE1-CD1 4.35Å; F110-L132 HydrophobicContact CE2-CD1 3.5Å; F110-L132 VanDerWaalsContact CE2-CD1 3.5Å; F110-L132 HydrophobicContact CG-CD1 4.36Å; F110-L132 HydrophobicContact CG-CD2 4Å; F110-L132 HydrophobicContact CZ-CD1 3.79Å; I112-L132 HydrophobicContact CD1-CD2 3.37Å; I128-L132 HydrophobicContact CG2-CD1 3.98Å; I128-L132 HydrophobicContact CG2-CG 4.49Å; I128-L132 VanDerWaalsContact O-CG 3.3Å; I128-L132 WeakPolarHBondContact O-CG 3.21Å; I128-L132 PolarHBondContact O-N 3.02Å; I129-L132 PolarHBondContact O-N 3.49Å; Q130-L132 VanDerWaalsContact C-N 3.3Å; Q130-L132 PolarHBondContact O-N 2.94Å; L132-R135 PolarHBondContact O-N 2.81Å; L132-H136 WeakPolarHBondContact O-CB 3.43Å; L132-H136 PolarHBondContact O-CD2 3.22Å; L132-H136 PolarHBondContact O-N 3Å |
| 133 | C | 94.1 | Very high | 91.9 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.5 | -46.7 | 173.6 | -79.5 | 0 | 0 | 0 | 0 | 111.5 | I129 Q130 R135 H136 D137 V138 | I129-C133 PolarHBondContact O-N 3.11Å; I129-C133 PolarHBondContact O-SG 3.44Å; Q130-C133 WeakPolarHBondContact O-CB 3.16Å; Q130-C133 PolarHBondContact O-N 2.88Å; C133-R135 VanDerWaalsContact C-N 3.34Å; C133-R135 PolarHBondContact O-N 3.05Å; C133-H136 PolarHBondContact O-N 3.21Å; C133-D137 PolarHBondContact O-N 2.68Å; C133-V138 WeakPolarHBondContact CB-O 3.41Å; C133-V138 PolarHBondContact O-N 2.87Å |
| 134 | D | 94 | Very high | 91.8 | Very high | 76 Ų | 76 | 63.4 Ų | 63.4 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 178.4 | -63.8 | -16.5 | 0 | 0 | 0 | 111.4 | Q130 Y131 | Q130-D134 PolarHBondContact NE2-OD1 2.95Å; Q130-D134 VanDerWaalsContact O-CG 3.29Å; Q130-D134 PolarHBondContact O-N 3.22Å; Y131-D134 PolarHBondContact O-N 3.22Å |
| 135 | R | 92.3 | Very high | 91.7 | Very high | 128 Ų | 128 | 66.6 Ų | 66.6 | 48% | 0.483 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.6 | -34.6 | 177.4 | -168.3 | 85 | 174.5 | 178.7 | -3.8 | 112.9 | I112 E113 Y131 L132 C133 | I112-R135 HydrophobicContact CD1-CG 4.49Å; E113-R135 PolarHBondContact O-NH2 2.66Å; Y131-R135 WeakPolarHBondContact O-CB 3.45Å; Y131-R135 PolarHBondContact O-N 2.97Å; L132-R135 PolarHBondContact O-N 2.81Å; C133-R135 VanDerWaalsContact C-N 3.34Å; C133-R135 PolarHBondContact O-N 3.05Å |
| 136 | H | 90.5 | Very high | 91.5 | Very high | 63 Ų | 63 | 70.9 Ų | 70.9 | 29% | 0.292 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 5.1 | -177.2 | -71.5 | -65.1 | 0 | 0 | 0 | 113.9 | F110 L132 C133 V138 | F110-H136 AromaticContact CD1-NE2 3.87Å; L132-H136 WeakPolarHBondContact O-CB 3.43Å; L132-H136 PolarHBondContact O-CD2 3.22Å; L132-H136 PolarHBondContact O-N 3Å; C133-H136 PolarHBondContact O-N 3.21Å; H136-V138 HydrophobicContact CB-CG2 3.82Å; H136-V138 PolarHBondContact O-N 2.98Å |
| 137 | D | 91.6 | Very high | 91.2 | Very high | 122 Ų | 122 | 68.5 Ų | 68.5 | 65% | 0.652 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 35.7 | -174.6 | -64.4 | -51.9 | 0 | 0 | 0 | 113.2 | C133 Y139 | C133-D137 PolarHBondContact O-N 2.68Å; D137-Y139 HydrophobicContact CB-CE2 4.18Å |
| 138 | V | 89.7 | Confident | 90.9 | Very high | 24 Ų | 24 | 69 Ų | 69 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | trans | -98.3 | 99.7 | 179.5 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | L58 K60 I63 C133 H136 | L58-V138 HydrophobicContact CB-CG2 4.45Å; L58-V138 WeakPolarHBondContact O-CG2 2.95Å; K60-V138 HydrophobicContact CB-CG1 4.31Å; I63-V138 HydrophobicContact CD1-CB 4.41Å; I63-V138 HydrophobicContact CD1-CG2 4.36Å; C133-V138 WeakPolarHBondContact CB-O 3.41Å; C133-V138 PolarHBondContact O-N 2.87Å; H136-V138 HydrophobicContact CB-CG2 3.82Å; H136-V138 PolarHBondContact O-N 2.98Å | ||
| 139 | Y | 81.6 | Confident | 90.6 | Very high | 152 Ų | 152 | 74.7 Ų | 74.7 | 60% | 0.596 | 35% | 0.352 | S | S | * | . | trans | -109.2 | 138.6 | 172.5 | -49.5 | -79.5 | 0 | 0 | 0 | 108.6 | D137 | D137-Y139 HydrophobicContact CB-CE2 4.18Š| ||
| 140 | D | 73.4 | Confident | 90.2 | Very high | 178 Ų | 178 | 80.5 Ų | 80.5 | 95% | 0.952 | 38% | 0.38 | S | S | * | . | trans | -66.2 | 0 | 173.3 | -66.6 | -41.1 | 0 | 0 | 0 | 112.3 | K60 | K60-D140 WeakPolarHBondContact CB-OD1 3.4Å; K60-D140 WeakPolarHBondContact CD-OD1 3.16Å; K60-D140 WeakPolarHBondContact CD-OD2 3.42Å; K60-D140 WeakPolarHBondContact CE-OD2 3.2Å; K60-D140 IonicContact NZ-OD2 2.68Å; K60-D140 PolarHBondContact NZ-OD2 2.89Å |
Retrieved 140 of 140 residues in 74.7 ms
(Link to these results)