| 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 | 42.5 | Very low | 50.2 | Low | 224 Ų | 224 | 159 Ų | 159 | 100% | 1.103 | 80% | 0.804 | S | S | * | * | 0 | 114.2 | 0 | -71.9 | 128 | 165.1 | 0 | 0 | 106.3 | |||||
| 2 | D | 44 | Very low | 49.5 | Very low | 150 Ų | 150 | 160.2 Ų | 160.2 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | cis | -160.2 | 157.8 | 9.6 | -59.4 | -57.9 | 0 | 0 | 0 | 108.1 | ||||
| 3 | H | 50.5 | Low | 49.4 | Very low | 179 Ų | 179 | 156.5 Ų | 156.5 | 83% | 0.829 | 80% | 0.802 | S | S | * | * | trans | -68.4 | 148.3 | 168.3 | -80.3 | -90.2 | 0 | 0 | 0 | 111.9 | ||||
| 4 | M | 55.2 | Low | 48.7 | Very low | 181 Ų | 181 | 151.9 Ų | 151.9 | 89% | 0.892 | 80% | 0.799 | S | S | * | * | trans | 49.8 | 118.7 | 133.4 | -130.2 | 88.9 | -173.5 | 0 | 0 | 120.2 | ||||
| 5 | A | 49.2 | Very low | 48.9 | Very low | 95 Ų | 95 | 154.1 Ų | 154.1 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -173.5 | 104.4 | 139.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 6 | H | 55.7 | Low | 48.7 | Very low | 146 Ų | 146 | 150.4 Ų | 150.4 | 68% | 0.676 | 81% | 0.805 | S | S | * | * | 49.3 | 114.4 | 91.4 | -145.4 | -46.4 | 0 | 0 | 0 | 115.2 | D8 | H6-D8 IonicContact CE1-OD1 3.18Å; H6-D8 PolarHBondContact CE1-OD1 3.18Å; H6-D8 IonicContact CE1-OD2 3.12Å; H6-D8 PolarHBondContact CE1-OD2 3.13Å; H6-D8 IonicContact ND1-OD1 3.74Å; H6-D8 IonicContact ND1-OD2 2.89Å; H6-D8 PolarHBondContact ND1-OD2 3.36Å | |||
| 7 | K | 53.8 | Low | 48.3 | Very low | 197 Ų | 197 | 149 Ų | 149 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -174.5 | 89.1 | 143.6 | -101.5 | 170.3 | -174.5 | -178.3 | 0 | 106.7 | ||||
| 8 | D | 48.4 | Very low | 48.2 | Very low | 114 Ų | 114 | 150.1 Ų | 150.1 | 61% | 0.61 | 80% | 0.803 | S | S | * | * | 68.9 | 98.8 | 97 | -73.3 | -58.7 | 0 | 0 | 0 | 113.9 | H6 | H6-D8 IonicContact CE1-OD1 3.18Å; H6-D8 PolarHBondContact CE1-OD1 3.18Å; H6-D8 IonicContact CE1-OD2 3.12Å; H6-D8 PolarHBondContact CE1-OD2 3.13Å; H6-D8 IonicContact ND1-OD1 3.74Å; H6-D8 IonicContact ND1-OD2 2.89Å; H6-D8 PolarHBondContact ND1-OD2 3.36Å | |||
| 9 | H | 51.5 | Low | 47.5 | Very low | 162 Ų | 162 | 151 Ų | 151 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | 45.1 | 102.7 | 120.5 | -124.8 | -86.5 | 0 | 0 | 0 | 117.2 | |||||
| 10 | M | 48.3 | Very low | 47.2 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | -145.3 | 98.9 | 142.7 | -82.5 | -57.3 | -158.4 | 0 | 0 | 108.9 | ||||
| 11 | N | 52.7 | Low | 46.8 | Very low | 127 Ų | 127 | 151 Ų | 151 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | -76.7 | 119.3 | 161.5 | 174.6 | 2.9 | 0 | 0 | 0 | 107.3 | ||||
| 12 | H | 41.8 | Very low | 47.2 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | trans | -142.3 | 107.1 | 157.7 | -96.4 | -72.3 | 0 | 0 | 0 | 110.4 | ||||
| 13 | S | 48.2 | Very low | 46.9 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -31.2 | 123.2 | 162.4 | -174.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 14 | A | 40.1 | Very low | 46.9 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -153.4 | 99.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 15 | M | 52.1 | Low | 46.2 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | trans | 24.4 | 118 | 142.5 | -54 | -65.5 | -171.7 | 0 | 0 | 119.9 | ||||
| 16 | A | 45.8 | Very low | 45.7 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -166.8 | 103.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 17 | T | 41.5 | Very low | 45.4 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | 76.1 | 103.2 | 90.7 | -49.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 18 | Q | 45.9 | Very low | 44.9 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 35.2 | 133.1 | 145.7 | -63.6 | -174.6 | -46.9 | 0 | 0 | 122.3 | ||||
| 19 | H | 34.9 | Very low | 44.9 | Very low | 168 Ų | 168 | 136.1 Ų | 136.1 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | 174.3 | 117.1 | 114.6 | -103 | -86.2 | 0 | 0 | 0 | 115.3 | |||||
| 20 | V | 42.4 | Very low | 44.5 | Very low | 122 Ų | 122 | 137 Ų | 137 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | 46.9 | 111.5 | 127.2 | -172.3 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 21 | H | 37.7 | Very low | 44.2 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | 71.2 | 174.8 | 134.1 | -130.6 | -131.6 | 0 | 0 | 0 | 121.3 | ||||
| 22 | P | 52.2 | Low | 44 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 58% | 0.578 | 78% | 0.783 | S | S | * | * | -124.7 | -174.7 | -64.4 | 36.7 | -20.4 | 0 | 0 | 0 | 114.8 | |||||
| 23 | T | 37 | Very low | 44 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | 112.5 | 142 | 146 | -51.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 24 | I | 50.6 | Low | 44 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -75.8 | 163.8 | -169.1 | -65 | 161.8 | 0 | 0 | 0 | 114.2 | ||||
| 25 | S | 41.1 | Very low | 44.1 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 85.9 | 138.5 | 168.9 | -64.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 26 | T | 37.5 | Very low | 44.2 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | cis | -168.9 | 150.2 | 41.3 | -23 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 27 | T | 50.1 | Low | 44.2 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | 4.8 | 132.2 | 154.9 | 58.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 28 | T | 43.8 | Very low | 44.3 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | -171.3 | 132.7 | 128.5 | -63.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 29 | V | 48.5 | Very low | 44.6 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -47.7 | 150 | -179.2 | -69 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 30 | H | 41.6 | Very low | 44.9 | Very low | 182 Ų | 182 | 126.2 Ų | 126.2 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | -170.6 | 108.9 | 127.4 | -112.2 | -87.6 | 0 | 0 | 0 | 113.5 | |||||
| 31 | D | 42.4 | Very low | 45.3 | Very low | 150 Ų | 150 | 124.2 Ų | 124.2 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | 58.3 | 127 | 138.5 | -140.8 | -110.4 | 0 | 0 | 0 | 124.1 | ||||
| 32 | H | 49 | Very low | 45.9 | Very low | 194 Ų | 194 | 124.7 Ų | 124.7 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -84.2 | 103.8 | 170.5 | -89.5 | -44.9 | 0 | 0 | 0 | 111.1 | ||||
| 33 | G | 41.6 | Very low | 45.6 | Very low | 72 Ų | 72 | 123.3 Ų | 123.3 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -109.3 | 115.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 34 | G | 49 | Very low | 46.2 | Very low | 87 Ų | 87 | 120.8 Ų | 120.8 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -66.4 | 165.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 35 | G | 41.5 | Very low | 46.2 | Very low | 74 Ų | 74 | 122.4 Ų | 122.4 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 165.5 | 93.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S37 | G35-S37 PolarHBondContact O-N 2.99Š| ||
| 36 | D | 53.7 | Low | 46.9 | Very low | 164 Ų | 164 | 122.9 Ų | 122.9 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -51 | 121.4 | 159.9 | 178.7 | 61.2 | 0 | 0 | 0 | 109.8 | ||||
| 37 | S | 45.8 | Very low | 47.9 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -168.1 | 101.4 | 166.8 | -81.8 | 0 | 0 | 0 | 0 | 110.9 | G35 | G35-S37 PolarHBondContact O-N 2.99Š| ||
| 38 | G | 44.9 | Very low | 48.6 | Very low | 67 Ų | 67 | 123.8 Ų | 123.8 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | 63.8 | 115.3 | 122.3 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 39 | H | 51.3 | Low | 49.3 | Very low | 207 Ų | 207 | 124.7 Ų | 124.7 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | 34.3 | 106.9 | 140.5 | -76.6 | -52.5 | 0 | 0 | 0 | 118.9 | ||||
| 40 | G | 40.9 | Very low | 49.9 | Very low | 63 Ų | 63 | 124.4 Ų | 124.4 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | -159.4 | 77.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111 | H42 | G40-H42 PolarHBondContact O-N 2.99Š| ||
| 41 | G | 52 | Low | 50.4 | Low | 81 Ų | 81 | 124.7 Ų | 124.7 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -61.7 | 113.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 42 | H | 49.7 | Very low | 51.1 | Low | 189 Ų | 189 | 125 Ų | 125 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | trans | -111.4 | 97.9 | 170.8 | -86.5 | -57.1 | 0 | 0 | 0 | 110.5 | G40 | G40-H42 PolarHBondContact O-N 2.99Š| ||
| 43 | G | 45.7 | Very low | 51.2 | Low | 60 Ų | 60 | 126.2 Ų | 126.2 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | trans | 56.2 | 83.8 | 133.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | H45 | G43-H45 PolarHBondContact O-N 2.94Å; G43-H45 VanDerWaalsContact O-N 3.13Å | ||
| 44 | G | 48.7 | Very low | 51.8 | Low | 80 Ų | 80 | 123.9 Ų | 123.9 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -55 | 118.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | S46 | G44-S46 PolarHBondContact O-N 3.12Š| ||
| 45 | H | 51.1 | Low | 51.8 | Low | 184 Ų | 184 | 127.3 Ų | 127.3 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | trans | -61.9 | 103.8 | 170 | -65.7 | -73.1 | 0 | 0 | 0 | 108.6 | G43 M47 | G43-H45 PolarHBondContact O-N 2.94Å; G43-H45 VanDerWaalsContact O-N 3.13Å; H45-M47 PolarHBondContact O-N 3.02Å | ||
| 46 | S | 56.8 | Low | 52 | Low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | -67.4 | 97 | 171.6 | 44.8 | 0 | 0 | 0 | 0 | 109 | G44 A48 | G44-S46 PolarHBondContact O-N 3.12Å; S46-A48 VanDerWaalsContact C-N 3.33Å; S46-A48 PolarHBondContact O-N 3.2Å | ||
| 47 | M | 58.3 | Low | 51.8 | Low | 170 Ų | 170 | 126 Ų | 126 | 84% | 0.837 | 73% | 0.727 | S | S | * | * | trans | -64.4 | 96 | 164.5 | -65.8 | -92.9 | -130.7 | 0 | 0 | 107.5 | H45 M49 | H45-M47 PolarHBondContact O-N 3.02Å; M47-M49 PolarHBondContact O-N 3.12Å | ||
| 48 | A | 63.9 | Low | 52.1 | Low | 89 Ų | 89 | 122.8 Ų | 122.8 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | trans | -64.5 | 104.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | S46 T50 | S46-A48 VanDerWaalsContact C-N 3.33Å; S46-A48 PolarHBondContact O-N 3.2Å; A48-T50 PolarHBondContact O-N 3.31Å; A48-T50 VanDerWaalsContact O-N 3.12Å | ||
| 49 | M | 59.1 | Low | 52.5 | Low | 155 Ų | 155 | 125.4 Ų | 125.4 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | trans | -68.8 | 108 | 173.2 | -67.5 | -65.6 | -129.9 | 0 | 0 | 107.9 | M47 F51 | M47-M49 PolarHBondContact O-N 3.12Å; M49-F51 PolarHBondContact O-N 2.94Å | ||
| 50 | T | 60.5 | Low | 52.5 | Low | 116 Ų | 116 | 118.9 Ų | 118.9 | 71% | 0.712 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -68.1 | -16 | -175.4 | 73.7 | 0 | 0 | 0 | 0 | 113 | A48 | A48-T50 PolarHBondContact O-N 3.31Å; A48-T50 VanDerWaalsContact O-N 3.12Å |
| 51 | F | 53.2 | Low | 53.1 | Low | 188 Ų | 188 | 123.1 Ų | 123.1 | 83% | 0.825 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -128 | 102.8 | 175.2 | -59.3 | -70.4 | 0 | 0 | 0 | 108.3 | M49 | M49-F51 PolarHBondContact O-N 2.94Š|
| 52 | Y | 56.7 | Low | 53 | Low | 157 Ų | 157 | 126.8 Ų | 126.8 | 62% | 0.616 | 67% | 0.669 | S | S | * | * | trans | -91.5 | 110.1 | 174.4 | -177.6 | -105.9 | 0 | 0 | 0 | 108.9 | V58 | Y52-V58 HydrophobicContact CD1-CG2 4.07Å; Y52-V58 HydrophobicContact CE1-CG2 4.09Å | ||
| 53 | F | 51.4 | Low | 53 | Low | 218 Ų | 218 | 121.4 Ų | 121.4 | 96% | 0.956 | 65% | 0.653 | S | S | * | * | trans | -101 | 79.6 | 175.7 | -141.7 | -92.9 | 0 | 0 | 0 | 108.5 | ||||
| 54 | G | 54.3 | Low | 53.1 | Low | 24 Ų | 24 | 127.4 Ų | 127.4 | 25% | 0.247 | 67% | 0.665 | C | S | . | * | trans | -139.8 | 146.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V58 | G54-V58 WeakPolarHBondContact O-CG2 3.12Š| ||
| 55 | Y | 49 | Very low | 53 | Low | 159 Ų | 159 | 128.3 Ų | 128.3 | 62% | 0.624 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -96.1 | -0.1 | 176.9 | 54.7 | -93.7 | 0 | 0 | 0 | 112.3 | ||
| 56 | Q | 45.3 | Very low | 52.8 | Low | 94 Ų | 94 | 122.3 Ų | 122.3 | 44% | 0.439 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -101.7 | 111.6 | -177.3 | -143.8 | 98.4 | 70.3 | 0 | 0 | 108.6 | ||
| 57 | N | 49.4 | Very low | 52.7 | Low | 115 Ų | 115 | 117.5 Ų | 117.5 | 62% | 0.615 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 64.1 | 49.8 | 174.7 | -52.9 | -75.3 | 0 | 0 | 0 | 116.1 | ||
| 58 | V | 53.1 | Low | 52.4 | Low | 49 Ų | 49 | 114.4 Ų | 114.4 | 30% | 0.297 | 58% | 0.579 | S | S | . | * | trans | -97.1 | 105.5 | 170 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | Y52 G54 L60 | Y52-V58 HydrophobicContact CD1-CG2 4.07Å; Y52-V58 HydrophobicContact CE1-CG2 4.09Å; G54-V58 WeakPolarHBondContact O-CG2 3.12Å; V58-L60 HydrophobicContact CG1-CD2 4.37Å; V58-L60 HydrophobicContact CG1-CG 4.37Å; V58-L60 PolarHBondContact O-N 2.95Å | ||
| 59 | E | 51.6 | Low | 52.1 | Low | 122 Ų | 122 | 113 Ų | 113 | 57% | 0.57 | 56% | 0.563 | S | S | * | * | B | Isolated β-bridge | trans | -76.6 | 112.9 | 173.3 | -61.9 | -175.2 | 177 | 0 | 0 | 109.8 | S63 | E59-S63 VanDerWaalsContact CD-CA 3.46Å; E59-S63 VanDerWaalsContact CD-CB 3.4Å; E59-S63 WeakPolarHBondContact OE1-CB 3.31Å; E59-S63 WeakPolarHBondContact OE2-CB 3.44Å |
| 60 | L | 51.6 | Low | 52.3 | Low | 69 Ų | 69 | 110.5 Ų | 110.5 | 36% | 0.361 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -95.4 | 104.2 | 171.7 | -68.9 | 169.6 | 0 | 0 | 0 | 108.5 | V58 F62 I67 A76 | V58-L60 HydrophobicContact CG1-CD2 4.37Å; V58-L60 HydrophobicContact CG1-CG 4.37Å; V58-L60 PolarHBondContact O-N 2.95Å; L60-F62 VanDerWaalsContact C-N 3.3Å; L60-F62 PolarHBondContact O-N 3.12Å; L60-F62 VanDerWaalsContact O-N 3.07Å; L60-I67 HydrophobicContact CD1-CD1 3.81Å; L60-A76 HydrophobicContact CD1-CB 3.54Å |
| 61 | L | 53.9 | Low | 52.6 | Low | 152 Ų | 152 | 107.4 Ų | 107.4 | 80% | 0.796 | 55% | 0.55 | S | S | * | . | S | Bend | trans | 70.3 | -33.7 | 178.7 | -96 | 73.6 | 0 | 0 | 0 | 118.2 | ||
| 62 | F | 49.4 | Very low | 53.2 | Low | 159 Ų | 159 | 102.8 Ų | 102.8 | 70% | 0.697 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -148.8 | 148.2 | 175.7 | -66.9 | -82.8 | 0 | 0 | 0 | 111.8 | L60 Q64 L65 | L60-F62 VanDerWaalsContact C-N 3.3Å; L60-F62 PolarHBondContact O-N 3.12Å; L60-F62 VanDerWaalsContact O-N 3.07Å; F62-Q64 PolarHBondContact O-N 3.18Å; F62-L65 PolarHBondContact O-N 2.89Å |
| 63 | S | 49.4 | Very low | 53.5 | Low | 75 Ų | 75 | 100.2 Ų | 100.2 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -0.8 | -178.1 | 78.5 | 0 | 0 | 0 | 0 | 115.9 | E59 V66 | E59-S63 VanDerWaalsContact CD-CA 3.46Å; E59-S63 VanDerWaalsContact CD-CB 3.4Å; E59-S63 WeakPolarHBondContact OE1-CB 3.31Å; E59-S63 WeakPolarHBondContact OE2-CB 3.44Å; S63-V66 VanDerWaalsContact O-CG2 3.31Å; S63-V66 WeakPolarHBondContact O-CG2 3.32Å |
| 64 | Q | 48.5 | Very low | 54.7 | Low | 187 Ų | 187 | 96.8 Ų | 96.8 | 87% | 0.874 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -7.9 | 174.3 | -81.5 | -149.5 | -22.6 | 0 | 0 | 114.4 | F62 V66 | F62-Q64 PolarHBondContact O-N 3.18Å; Q64-V66 PolarHBondContact O-N 3.48Å |
| 65 | L | 46.7 | Very low | 56 | Low | 98 Ų | 98 | 97.6 Ų | 97.6 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | trans | -100.8 | 60.6 | 173.9 | -154.9 | 100.1 | 0 | 0 | 0 | 109.8 | F62 I67 | F62-L65 PolarHBondContact O-N 2.89Å; L65-I67 PolarHBondContact O-N 3.41Å | ||
| 66 | V | 47.4 | Very low | 57.1 | Low | 58 Ų | 58 | 90.5 Ų | 90.5 | 35% | 0.352 | 49% | 0.493 | S | S | . | . | B | Isolated β-bridge | trans | -76.2 | 112.9 | 179.8 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | S63 Q64 N68 | S63-V66 VanDerWaalsContact O-CG2 3.31Å; S63-V66 WeakPolarHBondContact O-CG2 3.32Å; Q64-V66 PolarHBondContact O-N 3.48Å; V66-N68 VanDerWaalsContact CG1-ND2 3.26Å; V66-N68 WeakPolarHBondContact CG1-ND2 3.26Å |
| 67 | I | 53.2 | Low | 58.4 | Low | 13 Ų | 13 | 89.9 Ų | 89.9 | 7% | 0.067 | 50% | 0.498 | C | S | . | . | trans | -84.8 | 112.6 | 176.2 | -61.2 | 174.5 | 0 | 0 | 0 | 108 | L60 L65 E72 M73 A76 | L60-I67 HydrophobicContact CD1-CD1 3.81Å; L65-I67 PolarHBondContact O-N 3.41Å; I67-E72 HydrophobicContact CB-CB 4.2Å; I67-E72 HydrophobicContact CG1-CB 4.23Å; I67-E72 HydrophobicContact CG2-CB 3.64Å; I67-M73 HydrophobicContact CG2-CB 4.26Å; I67-A76 HydrophobicContact CD1-CB 3.52Å | ||
| 68 | N | 52.9 | Low | 60 | Low | 106 Ų | 106 | 87 Ų | 87 | 57% | 0.567 | 48% | 0.484 | S | S | * | . | trans | -113 | -1.6 | 175.2 | -86.1 | -71.6 | 0 | 0 | 0 | 113.4 | V66 E72 | V66-N68 VanDerWaalsContact CG1-ND2 3.26Å; V66-N68 WeakPolarHBondContact CG1-ND2 3.26Å; N68-E72 PolarHBondContact N-OE2 3.49Å | ||
| 69 | S | 58.5 | Low | 61.5 | Low | 58 Ų | 58 | 86.5 Ų | 86.5 | 41% | 0.406 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -134.4 | 148.4 | -177.8 | -178.9 | 0 | 0 | 0 | 0 | 113.7 | G71 E72 M73 | S69-G71 PolarHBondContact O-N 2.99Å; S69-G71 VanDerWaalsContact O-N 3.12Å; S69-E72 PolarHBondContact N-OE2 2.95Å; S69-E72 WeakPolarHBondContact O-CB 3.37Å; S69-E72 PolarHBondContact O-N 3.02Å; S69-M73 PolarHBondContact O-N 3.36Å |
| 70 | P | 61.8 | Low | 62.8 | Low | 103 Ų | 103 | 84.6 Ų | 84.6 | 67% | 0.669 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -53.8 | -31.2 | 173.8 | -24.8 | 32.9 | 0 | 0 | 0 | 113.8 | E72 M73 F74 | P70-E72 VanDerWaalsContact C-N 3.34Å; P70-M73 PolarHBondContact O-N 3.39Å; P70-F74 PolarHBondContact O-N 3.26Å |
| 71 | G | 66.5 | Low | 64.4 | Low | 51 Ų | 51 | 87.8 Ų | 87.8 | 53% | 0.526 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -32.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S69 F74 G75 | S69-G71 PolarHBondContact O-N 2.99Å; S69-G71 VanDerWaalsContact O-N 3.12Å; G71-F74 PolarHBondContact O-N 2.82Å; G71-G75 PolarHBondContact O-N 3.44Å |
| 72 | E | 65.6 | Low | 65.8 | Low | 92 Ų | 92 | 85.5 Ų | 85.5 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -75.5 | -30.7 | 177.7 | -67.8 | 175 | 141.6 | 0 | 0 | 111.4 | I67 N68 S69 P70 G75 A76 | I67-E72 HydrophobicContact CB-CB 4.2Å; I67-E72 HydrophobicContact CG1-CB 4.23Å; I67-E72 HydrophobicContact CG2-CB 3.64Å; N68-E72 PolarHBondContact N-OE2 3.49Å; S69-E72 PolarHBondContact N-OE2 2.95Å; S69-E72 WeakPolarHBondContact O-CB 3.37Å; S69-E72 PolarHBondContact O-N 3.02Å; P70-E72 VanDerWaalsContact C-N 3.34Å; E72-G75 PolarHBondContact O-N 3.28Å; E72-A76 WeakPolarHBondContact O-CB 3.4Å; E72-A76 PolarHBondContact O-N 3.27Å |
| 73 | M | 63.5 | Low | 67.4 | Low | 102 Ų | 102 | 83.4 Ų | 83.4 | 50% | 0.502 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 171.3 | -173.4 | -175.7 | 75.8 | 0 | 0 | 110.7 | I67 S69 P70 A76 C77 | I67-M73 HydrophobicContact CG2-CB 4.26Å; S69-M73 PolarHBondContact O-N 3.36Å; P70-M73 PolarHBondContact O-N 3.39Å; M73-A76 PolarHBondContact O-N 3.36Å; M73-C77 PolarHBondContact O-N 2.94Å; M73-C77 PolarHBondContact O-SG 2.88Å |
| 74 | F | 77.8 | Confident | 68.9 | Low | 147 Ų | 147 | 82.2 Ų | 82.2 | 65% | 0.645 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.9 | -44.4 | 175 | -178.7 | -99.5 | 0 | 0 | 0 | 111.6 | P70 G71 A76 C77 V78 | P70-F74 PolarHBondContact O-N 3.26Å; G71-F74 PolarHBondContact O-N 2.82Å; F74-A76 VanDerWaalsContact C-N 3.31Å; F74-A76 PolarHBondContact O-N 2.7Å; F74-C77 PolarHBondContact O-N 3.48Å; F74-V78 HydrophobicContact CD1-CG2 4.14Å; F74-V78 HydrophobicContact CD2-CG2 4.49Å; F74-V78 HydrophobicContact CE1-CG2 3.69Å; F74-V78 HydrophobicContact CE2-CG2 4.08Å; F74-V78 HydrophobicContact CZ-CG2 3.66Å; F74-V78 WeakPolarHBondContact O-CG2 3.33Å; F74-V78 PolarHBondContact O-N 3.34Å |
| 75 | G | 79.9 | Confident | 70.6 | Confident | 40 Ų | 40 | 77.1 Ų | 77.1 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G71 E72 V78 G79 | G71-G75 PolarHBondContact O-N 3.44Å; E72-G75 PolarHBondContact O-N 3.28Å; G75-V78 PolarHBondContact O-N 3.31Å; G75-G79 PolarHBondContact O-N 3Å |
| 76 | A | 72.1 | Confident | 72.2 | Confident | 11 Ų | 11 | 77.4 Ų | 77.4 | 9% | 0.091 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -69.8 | -40.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L60 I67 E72 M73 F74 V78 G79 V80 | L60-A76 HydrophobicContact CD1-CB 3.54Å; I67-A76 HydrophobicContact CD1-CB 3.52Å; E72-A76 WeakPolarHBondContact O-CB 3.4Å; E72-A76 PolarHBondContact O-N 3.27Å; M73-A76 PolarHBondContact O-N 3.36Å; F74-A76 VanDerWaalsContact C-N 3.31Å; F74-A76 PolarHBondContact O-N 2.7Å; A76-V78 PolarHBondContact O-N 3.19Å; A76-G79 PolarHBondContact O-N 3.43Å; A76-V80 WeakPolarHBondContact O-CG2 3.31Å; A76-V80 PolarHBondContact O-N 2.89Å |
| 77 | C | 74 | Confident | 73.8 | Confident | 80 Ų | 80 | 81.7 Ų | 81.7 | 54% | 0.541 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 173.6 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | M73 F74 F81 | M73-C77 PolarHBondContact O-N 2.94Å; M73-C77 PolarHBondContact O-SG 2.88Å; F74-C77 PolarHBondContact O-N 3.48Å; C77-F81 VanDerWaalsContact O-CB 3.31Å; C77-F81 WeakPolarHBondContact O-CB 3.15Å; C77-F81 PolarHBondContact O-N 3.07Å |
| 78 | V | 82.1 | Confident | 74.9 | Confident | 55 Ų | 55 | 85.3 Ų | 85.3 | 33% | 0.333 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 176.6 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | F74 G75 A76 F81 L82 | F74-V78 HydrophobicContact CD1-CG2 4.14Å; F74-V78 HydrophobicContact CD2-CG2 4.49Å; F74-V78 HydrophobicContact CE1-CG2 3.69Å; F74-V78 HydrophobicContact CE2-CG2 4.08Å; F74-V78 HydrophobicContact CZ-CG2 3.66Å; F74-V78 WeakPolarHBondContact O-CG2 3.33Å; F74-V78 PolarHBondContact O-N 3.34Å; G75-V78 PolarHBondContact O-N 3.31Å; A76-V78 PolarHBondContact O-N 3.19Å; V78-F81 PolarHBondContact O-N 2.89Å; V78-L82 HydrophobicContact CG1-CD1 4.06Å; V78-L82 HydrophobicContact CG1-CG 4.32Å; V78-L82 WeakPolarHBondContact O-CB 3.4Å; V78-L82 WeakPolarHBondContact O-CG 3.34Å; V78-L82 PolarHBondContact O-N 2.82Å |
| 79 | G | 84.2 | Confident | 76.1 | Confident | 39 Ų | 39 | 82.3 Ų | 82.3 | 40% | 0.402 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | G75 A76 L82 L83 | G75-G79 PolarHBondContact O-N 3Å; A76-G79 PolarHBondContact O-N 3.43Å; G79-L82 PolarHBondContact O-N 3.46Å; G79-L83 VanDerWaalsContact O-CB 3.3Å; G79-L83 WeakPolarHBondContact O-CB 3.36Å; G79-L83 PolarHBondContact O-N 3.45Å |
| 80 | V | 80.4 | Confident | 76.7 | Confident | 81 Ų | 81 | 85 Ų | 85 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 176.4 | 174.5 | 0 | 0 | 0 | 0 | 111.1 | A76 L83 A84 | A76-V80 WeakPolarHBondContact O-CG2 3.31Å; A76-V80 PolarHBondContact O-N 2.89Å; V80-L83 PolarHBondContact O-N 3.34Å; V80-A84 WeakPolarHBondContact O-CB 3.48Å; V80-A84 PolarHBondContact O-N 2.93Å |
| 81 | F | 83.5 | Confident | 77.3 | Confident | 137 Ų | 137 | 85.2 Ų | 85.2 | 60% | 0.601 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.8 | -48.7 | 176.2 | 176.8 | -101.3 | 0 | 0 | 0 | 111.9 | C77 V78 L83 A84 V85 | C77-F81 VanDerWaalsContact O-CB 3.31Å; C77-F81 WeakPolarHBondContact O-CB 3.15Å; C77-F81 PolarHBondContact O-N 3.07Å; V78-F81 PolarHBondContact O-N 2.89Å; F81-L83 VanDerWaalsContact C-N 3.31Å; F81-L83 PolarHBondContact O-N 3.29Å; F81-A84 PolarHBondContact O-N 2.88Å; F81-V85 HydrophobicContact CD1-CG2 4.39Å; F81-V85 HydrophobicContact CE1-CG2 4.01Å; F81-V85 HydrophobicContact CE2-CG2 4.14Å; F81-V85 HydrophobicContact CZ-CG2 3.87Å; F81-V85 WeakPolarHBondContact O-CG2 3.35Å; F81-V85 PolarHBondContact O-N 3.17Å |
| 82 | L | 83.8 | Confident | 77.7 | Confident | 104 Ų | 104 | 86.9 Ų | 86.9 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 176.8 | -70.9 | 179.1 | 0 | 0 | 0 | 111.7 | V78 G79 V85 L86 | V78-L82 HydrophobicContact CG1-CD1 4.06Å; V78-L82 HydrophobicContact CG1-CG 4.32Å; V78-L82 WeakPolarHBondContact O-CB 3.4Å; V78-L82 WeakPolarHBondContact O-CG 3.34Å; V78-L82 PolarHBondContact O-N 2.82Å; G79-L82 PolarHBondContact O-N 3.46Å; L82-V85 PolarHBondContact O-N 3.11Å; L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 PolarHBondContact O-N 3.28Å |
| 83 | L | 82.9 | Confident | 77.9 | Confident | 115 Ų | 115 | 83.6 Ų | 83.6 | 60% | 0.602 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.4 | -39 | 175.7 | -171.9 | 140.3 | 0 | 0 | 0 | 112.1 | G79 V80 F81 Y87 | G79-L83 VanDerWaalsContact O-CB 3.3Å; G79-L83 WeakPolarHBondContact O-CB 3.36Å; G79-L83 PolarHBondContact O-N 3.45Å; V80-L83 PolarHBondContact O-N 3.34Å; F81-L83 VanDerWaalsContact C-N 3.31Å; F81-L83 PolarHBondContact O-N 3.29Å; L83-Y87 VanDerWaalsContact O-CB 3.24Å; L83-Y87 WeakPolarHBondContact O-CB 3.24Å; L83-Y87 PolarHBondContact O-N 2.84Å |
| 84 | A | 81.8 | Confident | 78.4 | Confident | 49 Ų | 49 | 87.5 Ų | 87.5 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V80 F81 Y87 E88 | V80-A84 WeakPolarHBondContact O-CB 3.48Å; V80-A84 PolarHBondContact O-N 2.93Å; F81-A84 PolarHBondContact O-N 2.88Å; A84-Y87 WeakPolarHBondContact O-CB 3.3Å; A84-Y87 PolarHBondContact O-N 2.87Å; A84-E88 PolarHBondContact O-N 3.44Å; A84-E88 VanDerWaalsContact O-N 3.11Å |
| 85 | V | 83 | Confident | 77.8 | Confident | 80 Ų | 80 | 85.3 Ų | 85.3 | 49% | 0.485 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | F81 L82 Y87 G89 | F81-V85 HydrophobicContact CD1-CG2 4.39Å; F81-V85 HydrophobicContact CE1-CG2 4.01Å; F81-V85 HydrophobicContact CE2-CG2 4.14Å; F81-V85 HydrophobicContact CZ-CG2 3.87Å; F81-V85 WeakPolarHBondContact O-CG2 3.35Å; F81-V85 PolarHBondContact O-N 3.17Å; L82-V85 PolarHBondContact O-N 3.11Å; V85-Y87 VanDerWaalsContact C-N 3.31Å; V85-Y87 PolarHBondContact O-N 2.92Å; V85-G89 PolarHBondContact O-N 3.47Å |
| 86 | L | 82.3 | Confident | 77 | Confident | 105 Ų | 105 | 87.3 Ų | 87.3 | 55% | 0.55 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.4 | -39 | 174.8 | -173.7 | 77.9 | 0 | 0 | 0 | 111.1 | L82 G89 L90 | L82-L86 WeakPolarHBondContact O-CB 3.46Å; L82-L86 PolarHBondContact O-N 3.28Å; L86-G89 PolarHBondContact O-N 3.25Å; L86-L90 HydrophobicContact CD1-CD1 4.44Å; L86-L90 HydrophobicContact CD1-CG 4.4Å; L86-L90 HydrophobicContact CD2-CD1 4.21Å; L86-L90 HydrophobicContact CG-CD1 3.88Å; L86-L90 HydrophobicContact CG-CG 4.2Å; L86-L90 WeakPolarHBondContact O-CB 3.33Å; L86-L90 VanDerWaalsContact O-CG 3.28Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 3.37Å |
| 87 | Y | 79.1 | Confident | 76.3 | Confident | 148 Ų | 148 | 92.6 Ų | 92.6 | 58% | 0.58 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.1 | -51.3 | 178.5 | 175.9 | -99.7 | 0 | 0 | 0 | 111.9 | L83 A84 V85 G89 L90 K91 | L83-Y87 VanDerWaalsContact O-CB 3.24Å; L83-Y87 WeakPolarHBondContact O-CB 3.24Å; L83-Y87 PolarHBondContact O-N 2.84Å; A84-Y87 WeakPolarHBondContact O-CB 3.3Å; A84-Y87 PolarHBondContact O-N 2.87Å; V85-Y87 VanDerWaalsContact C-N 3.31Å; V85-Y87 PolarHBondContact O-N 2.92Å; Y87-G89 VanDerWaalsContact C-N 3.32Å; Y87-G89 PolarHBondContact O-N 2.81Å; Y87-L90 PolarHBondContact O-N 3.04Å; Y87-K91 HydrophobicContact CE1-CD 4.49Å; Y87-K91 VanDerWaalsContact O-CB 3.27Å; Y87-K91 WeakPolarHBondContact O-CB 3.27Å; Y87-K91 PolarHBondContact O-N 2.85Å |
| 88 | E | 77.8 | Confident | 75.4 | Confident | 89 Ų | 89 | 93.2 Ų | 93.2 | 42% | 0.416 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.6 | -35.4 | 175.2 | -67.1 | -65 | 157 | 0 | 0 | 111.4 | A84 K91 I92 | A84-E88 PolarHBondContact O-N 3.44Å; A84-E88 VanDerWaalsContact O-N 3.11Å; E88-K91 WeakPolarHBondContact O-CB 3.28Å; E88-K91 PolarHBondContact O-N 3.48Å; E88-K91 IonicContact OE1-NZ 3.17Å; E88-K91 PolarHBondContact OE1-NZ 3.29Å; E88-K91 WeakPolarHBondContact OE2-CD 3.16Å; E88-K91 IonicContact OE2-NZ 2.88Å; E88-K91 PolarHBondContact OE2-NZ 3.5Å; E88-I92 WeakPolarHBondContact O-CD1 3.37Å; E88-I92 PolarHBondContact O-N 2.79Å |
| 89 | G | 77.4 | Confident | 74.3 | Confident | 43 Ų | 43 | 98.2 Ų | 98.2 | 44% | 0.443 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V85 L86 Y87 G93 | V85-G89 PolarHBondContact O-N 3.47Å; L86-G89 PolarHBondContact O-N 3.25Å; Y87-G89 VanDerWaalsContact C-N 3.32Å; Y87-G89 PolarHBondContact O-N 2.81Å; G89-G93 PolarHBondContact O-N 2.97Å |
| 90 | L | 70.6 | Confident | 72.9 | Confident | 115 Ų | 115 | 105 Ų | 105 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.9 | -35.4 | 175.7 | -71.9 | 172.8 | 0 | 0 | 0 | 111.7 | L86 Y87 G93 R94 | L86-L90 HydrophobicContact CD1-CD1 4.44Å; L86-L90 HydrophobicContact CD1-CG 4.4Å; L86-L90 HydrophobicContact CD2-CD1 4.21Å; L86-L90 HydrophobicContact CG-CD1 3.88Å; L86-L90 HydrophobicContact CG-CG 4.2Å; L86-L90 WeakPolarHBondContact O-CB 3.33Å; L86-L90 VanDerWaalsContact O-CG 3.28Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 3.37Å; Y87-L90 PolarHBondContact O-N 3.04Å; L90-G93 PolarHBondContact O-N 3.44Å; L90-R94 PolarHBondContact O-N 3.41Å |
| 91 | K | 75.8 | Confident | 71.7 | Confident | 107 Ų | 107 | 103.7 Ų | 103.7 | 47% | 0.465 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 174.7 | -177.9 | -177.3 | 171.1 | -165.9 | 0 | 111.6 | Y87 E88 | Y87-K91 HydrophobicContact CE1-CD 4.49Å; Y87-K91 VanDerWaalsContact O-CB 3.27Å; Y87-K91 WeakPolarHBondContact O-CB 3.27Å; Y87-K91 PolarHBondContact O-N 2.85Å; E88-K91 WeakPolarHBondContact O-CB 3.28Å; E88-K91 PolarHBondContact O-N 3.48Å; E88-K91 IonicContact OE1-NZ 3.17Å; E88-K91 PolarHBondContact OE1-NZ 3.29Å; E88-K91 WeakPolarHBondContact OE2-CD 3.16Å; E88-K91 IonicContact OE2-NZ 2.88Å; E88-K91 PolarHBondContact OE2-NZ 3.5Å |
| 92 | I | 73.4 | Confident | 70.2 | Confident | 86 Ų | 86 | 104 Ų | 104 | 44% | 0.441 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 171.8 | -91.3 | 75.9 | 0 | 0 | 0 | 111.1 | E88 R94 E95 I96 | E88-I92 WeakPolarHBondContact O-CD1 3.37Å; E88-I92 PolarHBondContact O-N 2.79Å; I92-R94 VanDerWaalsContact C-N 3.28Å; I92-R94 PolarHBondContact O-N 2.79Å; I92-E95 PolarHBondContact O-N 3.05Å; I92-I96 HydrophobicContact CG2-CD1 3.45Å; I92-I96 VanDerWaalsContact CG2-CD1 3.45Å; I92-I96 HydrophobicContact CG2-CG1 4.16Å; I92-I96 WeakPolarHBondContact O-CG1 3.46Å; I92-I96 PolarHBondContact O-N 2.96Å |
| 93 | G | 70.7 | Confident | 68.4 | Low | 23 Ų | 23 | 103.3 Ų | 103.3 | 24% | 0.237 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -57.5 | -38.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G89 L90 E95 I96 L97 | G89-G93 PolarHBondContact O-N 2.97Å; L90-G93 PolarHBondContact O-N 3.44Å; G93-E95 PolarHBondContact O-N 2.98Å; G93-I96 PolarHBondContact O-N 2.9Å; G93-L97 WeakPolarHBondContact O-CB 3.47Å; G93-L97 WeakPolarHBondContact O-CD1 3.5Å; G93-L97 VanDerWaalsContact O-CG 3.27Å; G93-L97 WeakPolarHBondContact O-CG 3.4Å; G93-L97 PolarHBondContact O-N 3.19Å |
| 94 | R | 73.8 | Confident | 66.8 | Low | 183 Ų | 183 | 103.6 Ų | 103.6 | 69% | 0.691 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | 173.5 | -175.2 | -179.8 | -178.3 | -95.5 | 1 | 112.2 | L90 I92 L98 | L90-R94 PolarHBondContact O-N 3.41Å; I92-R94 VanDerWaalsContact C-N 3.28Å; I92-R94 PolarHBondContact O-N 2.79Å; R94-L98 WeakPolarHBondContact O-CG 3.48Å; R94-L98 PolarHBondContact O-N 3.48Å |
| 95 | E | 65.9 | Low | 65.4 | Low | 101 Ų | 101 | 105.9 Ų | 105.9 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.6 | -38.5 | 178.5 | -168.3 | 178.5 | 160.6 | 0 | 0 | 111.8 | I92 G93 L98 R99 | I92-E95 PolarHBondContact O-N 3.05Å; G93-E95 PolarHBondContact O-N 2.98Å; E95-L98 PolarHBondContact O-N 3.32Å; E95-R99 WeakPolarHBondContact O-CG 3.27Å; E95-R99 PolarHBondContact O-N 3.3Å; E95-R99 IonicContact OE1-CZ 3.55Å; E95-R99 IonicContact OE1-NE 3.44Å; E95-R99 PolarHBondContact OE1-NE 3.33Å; E95-R99 IonicContact OE1-NH2 2.79Å; E95-R99 PolarHBondContact OE1-NH2 3.44Å |
| 96 | I | 61.4 | Low | 64 | Low | 83 Ų | 83 | 112.9 Ų | 112.9 | 43% | 0.426 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 177.6 | -65.8 | 170.7 | 0 | 0 | 0 | 111.4 | I92 G93 L98 R99 R100 | I92-I96 HydrophobicContact CG2-CD1 3.45Å; I92-I96 VanDerWaalsContact CG2-CD1 3.45Å; I92-I96 HydrophobicContact CG2-CG1 4.16Å; I92-I96 WeakPolarHBondContact O-CG1 3.46Å; I92-I96 PolarHBondContact O-N 2.96Å; G93-I96 PolarHBondContact O-N 2.9Å; I96-L98 VanDerWaalsContact C-N 3.31Å; I96-L98 PolarHBondContact O-N 3.11Å; I96-R99 PolarHBondContact O-N 3.49Å; I96-R100 HydrophobicContact CG2-CG 4.26Å; I96-R100 WeakPolarHBondContact O-CB 3.36Å; I96-R100 WeakPolarHBondContact O-CG 3.42Å; I96-R100 PolarHBondContact O-N 3.15Å |
| 97 | L | 57.8 | Low | 62.4 | Low | 122 Ų | 122 | 117.6 Ų | 117.6 | 64% | 0.639 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.8 | -35.6 | 177.5 | -75.7 | 164.2 | 0 | 0 | 0 | 112.1 | G93 R100 S101 | G93-L97 WeakPolarHBondContact O-CB 3.47Å; G93-L97 WeakPolarHBondContact O-CD1 3.5Å; G93-L97 VanDerWaalsContact O-CG 3.27Å; G93-L97 WeakPolarHBondContact O-CG 3.4Å; G93-L97 PolarHBondContact O-N 3.19Å; L97-R100 PolarHBondContact O-N 2.82Å; L97-S101 VanDerWaalsContact O-CB 3.24Å; L97-S101 WeakPolarHBondContact O-CB 3.42Å; L97-S101 PolarHBondContact O-N 3.25Å; L97-S101 PolarHBondContact O-OG 3.25Å |
| 98 | L | 56.7 | Low | 61.5 | Low | 93 Ų | 93 | 116.5 Ų | 116.5 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.9 | -39.3 | 174.1 | -71.3 | 170.8 | 0 | 0 | 0 | 112.3 | R94 E95 I96 S101 Q102 | R94-L98 WeakPolarHBondContact O-CG 3.48Å; R94-L98 PolarHBondContact O-N 3.48Å; E95-L98 PolarHBondContact O-N 3.32Å; I96-L98 VanDerWaalsContact C-N 3.31Å; I96-L98 PolarHBondContact O-N 3.11Å; L98-S101 PolarHBondContact O-OG 3.08Å; L98-S101 VanDerWaalsContact O-OG 3.11Å; L98-Q102 WeakPolarHBondContact O-CG 3.43Å; L98-Q102 PolarHBondContact O-N 3.28Å; L98-Q102 VanDerWaalsContact O-N 3.08Å |
| 99 | R | 57.3 | Low | 60 | Low | 160 Ų | 160 | 117 Ų | 117 | 60% | 0.604 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -68.7 | -38 | 175.5 | -67.1 | 177.4 | -172.7 | -96.5 | 3.7 | 111.8 | E95 I96 V103 | E95-R99 WeakPolarHBondContact O-CG 3.27Å; E95-R99 PolarHBondContact O-N 3.3Å; E95-R99 IonicContact OE1-CZ 3.55Å; E95-R99 IonicContact OE1-NE 3.44Å; E95-R99 PolarHBondContact OE1-NE 3.33Å; E95-R99 IonicContact OE1-NH2 2.79Å; E95-R99 PolarHBondContact OE1-NH2 3.44Å; I96-R99 PolarHBondContact O-N 3.49Å; R99-V103 WeakPolarHBondContact O-CG2 3.24Å; R99-V103 PolarHBondContact O-N 2.89Å |
| 100 | R | 56 | Low | 58.6 | Low | 182 Ų | 182 | 122.5 Ų | 122.5 | 69% | 0.687 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.2 | -34.7 | 176.5 | -69.1 | -178.8 | 73.2 | 132.4 | 2.3 | 112.7 | I96 L97 V103 N104 | I96-R100 HydrophobicContact CG2-CG 4.26Å; I96-R100 WeakPolarHBondContact O-CB 3.36Å; I96-R100 WeakPolarHBondContact O-CG 3.42Å; I96-R100 PolarHBondContact O-N 3.15Å; L97-R100 PolarHBondContact O-N 2.82Å; R100-V103 PolarHBondContact O-N 3.36Å; R100-N104 WeakPolarHBondContact O-CB 3.34Å; R100-N104 PolarHBondContact O-N 3.39Å |
| 101 | S | 53.8 | Low | 57.7 | Low | 53 Ų | 53 | 122.6 Ų | 122.6 | 37% | 0.371 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.6 | -32.9 | 176.1 | 71.1 | 0 | 0 | 0 | 0 | 112.3 | L97 L98 N104 V105 | L97-S101 VanDerWaalsContact O-CB 3.24Å; L97-S101 WeakPolarHBondContact O-CB 3.42Å; L97-S101 PolarHBondContact O-N 3.25Å; L97-S101 PolarHBondContact O-OG 3.25Å; L98-S101 PolarHBondContact O-OG 3.08Å; L98-S101 VanDerWaalsContact O-OG 3.11Å; S101-N104 PolarHBondContact O-N 3.46Å; S101-V105 VanDerWaalsContact O-CB 3.25Å; S101-V105 WeakPolarHBondContact O-CB 3.15Å; S101-V105 WeakPolarHBondContact O-CG2 3.45Å; S101-V105 PolarHBondContact O-N 3.03Å |
| 102 | Q | 52 | Low | 56.5 | Low | 142 Ų | 142 | 124 Ų | 124 | 66% | 0.664 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.6 | -36 | 170 | -77.3 | -175.7 | -7.3 | 0 | 0 | 112.8 | L98 R106 | L98-Q102 WeakPolarHBondContact O-CG 3.43Å; L98-Q102 PolarHBondContact O-N 3.28Å; L98-Q102 VanDerWaalsContact O-N 3.08Å; Q102-R106 WeakPolarHBondContact O-CB 3.2Å; Q102-R106 PolarHBondContact O-N 2.7Å |
| 103 | V | 47.6 | Very low | 55.4 | Low | 91 Ų | 91 | 126.2 Ų | 126.2 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.2 | -40.7 | 173.3 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | R99 R100 R106 Y107 | R99-V103 WeakPolarHBondContact O-CG2 3.24Å; R99-V103 PolarHBondContact O-N 2.89Å; R100-V103 PolarHBondContact O-N 3.36Å; V103-R106 PolarHBondContact O-N 2.92Å; V103-Y107 HydrophobicContact CG1-CE2 4.47Å; V103-Y107 WeakPolarHBondContact O-CD2 3.25Å; V103-Y107 PolarHBondContact O-N 3.36Å |
| 104 | N | 49.4 | Very low | 54.2 | Low | 121 Ų | 121 | 128 Ų | 128 | 65% | 0.647 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.9 | -32.5 | 176.9 | -169.7 | 51.5 | 0 | 0 | 0 | 113.5 | R100 S101 | R100-N104 WeakPolarHBondContact O-CB 3.34Å; R100-N104 PolarHBondContact O-N 3.39Å; S101-N104 PolarHBondContact O-N 3.46Å |
| 105 | V | 51.6 | Low | 53.3 | Low | 97 Ų | 97 | 123.6 Ų | 123.6 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -78.1 | -30.5 | 174.6 | 170.5 | 0 | 0 | 0 | 0 | 111 | S101 Y107 N108 | S101-V105 VanDerWaalsContact O-CB 3.25Å; S101-V105 WeakPolarHBondContact O-CB 3.15Å; S101-V105 WeakPolarHBondContact O-CG2 3.45Å; S101-V105 PolarHBondContact O-N 3.03Å; V105-Y107 PolarHBondContact O-N 2.91Å; V105-Y107 VanDerWaalsContact O-N 3.16Å; V105-N108 PolarHBondContact O-N 3.36Å; V105-N108 VanDerWaalsContact O-O 3.12Å |
| 106 | R | 53.5 | Low | 52.7 | Low | 227 Ų | 227 | 125.2 Ų | 125.2 | 86% | 0.857 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 6.5 | 171.6 | -166.3 | 169.3 | 173.3 | 134.2 | 1.1 | 114 | Q102 V103 | Q102-R106 WeakPolarHBondContact O-CB 3.2Å; Q102-R106 PolarHBondContact O-N 2.7Å; V103-R106 PolarHBondContact O-N 2.92Å |
| 107 | Y | 49 | Very low | 52.4 | Low | 203 Ų | 203 | 125.2 Ų | 125.2 | 80% | 0.796 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.3 | -10 | 162.6 | -84.3 | -82.3 | 0 | 0 | 0 | 113.2 | V103 V105 | V103-Y107 HydrophobicContact CG1-CE2 4.47Å; V103-Y107 WeakPolarHBondContact O-CD2 3.25Å; V103-Y107 PolarHBondContact O-N 3.36Å; V105-Y107 PolarHBondContact O-N 2.91Å; V105-Y107 VanDerWaalsContact O-N 3.16Å |
| 108 | N | 59.3 | Low | 52 | Low | 126 Ų | 126 | 124.5 Ų | 124.5 | 67% | 0.674 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -117.4 | 103 | -177.7 | -163.2 | 35.8 | 0 | 0 | 0 | 110.9 | V105 | V105-N108 PolarHBondContact O-N 3.36Å; V105-N108 VanDerWaalsContact O-O 3.12Å |
| 109 | S | 47.7 | Very low | 51.8 | Low | 100 Ų | 100 | 128.4 Ų | 128.4 | 70% | 0.699 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 78.2 | 120.3 | -178.5 | 73.5 | 0 | 0 | 0 | 0 | 114.9 | ||
| 110 | M | 48.1 | Very low | 51.6 | Low | 158 Ų | 158 | 127.8 Ų | 127.8 | 78% | 0.778 | 71% | 0.708 | S | S | * | * | cis | -124 | 129.3 | 37 | -83.1 | 165.6 | 156.1 | 0 | 0 | 113.3 | L112 | M110-L112 HydrophobicContact CB-CD2 4.35Å; M110-L112 HydrophobicContact CB-CG 4.44Å; M110-L112 PolarHBondContact O-N 2.79Å; M110-L112 HydrophobicContact SD-CD2 4.04Å | ||
| 111 | P | 51.7 | Low | 51.7 | Low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 71% | 0.713 | S | S | * | * | trans | -65.1 | 107.5 | 137.9 | 20 | -8.1 | 0 | 0 | 0 | 106 | P113 | P111-P113 WeakPolarHBondContact O-CD 3.37Š| ||
| 112 | L | 49.4 | Very low | 51.7 | Low | 136 Ų | 136 | 133.1 Ų | 133.1 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | trans | -65.5 | 126.7 | 160.6 | -64.5 | 168.2 | 0 | 0 | 0 | 105.7 | M110 G114 | M110-L112 HydrophobicContact CB-CD2 4.35Å; M110-L112 HydrophobicContact CB-CG 4.44Å; M110-L112 PolarHBondContact O-N 2.79Å; M110-L112 HydrophobicContact SD-CD2 4.04Å; L112-G114 PolarHBondContact O-N 3.3Å | ||
| 113 | P | 51.1 | Low | 52.3 | Low | 133 Ų | 133 | 131.7 Ų | 131.7 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | -63.3 | 85.2 | 165.3 | -15.4 | 29.6 | 0 | 0 | 0 | 107.8 | P111 A115 | P111-P113 WeakPolarHBondContact O-CD 3.37Å; P113-A115 PolarHBondContact O-N 3.43Å | ||
| 114 | G | 45.3 | Very low | 52.2 | Low | 61 Ų | 61 | 134.9 Ų | 134.9 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | trans | -72 | 107.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | L112 D116 | L112-G114 PolarHBondContact O-N 3.3Å; G114-D116 PolarHBondContact O-N 3.16Å; G114-D116 VanDerWaalsContact O-N 3.1Å | ||
| 115 | A | 54.2 | Low | 52.4 | Low | 91 Ų | 91 | 137.6 Ų | 137.6 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -20.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P113 | P113-A115 PolarHBondContact O-N 3.43Š|
| 116 | D | 54.4 | Low | 52.8 | Low | 135 Ų | 135 | 137.9 Ų | 137.9 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.5 | 59.8 | -171.6 | -61.1 | -63.2 | 0 | 0 | 0 | 114.2 | G114 T118 | G114-D116 PolarHBondContact O-N 3.16Å; G114-D116 VanDerWaalsContact O-N 3.1Å; D116-T118 PolarHBondContact O-N 3.04Å; D116-T118 PolarHBondContact O-OG1 3.15Å |
| 117 | G | 55.7 | Low | 52.4 | Low | 82 Ų | 82 | 133.8 Ų | 133.8 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | 38 | 21.2 | 142.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 118 | T | 49.3 | Very low | 52.1 | Low | 108 Ų | 108 | 131.6 Ų | 131.6 | 66% | 0.663 | 79% | 0.794 | S | S | * | * | trans | -130.3 | 100.6 | -174.3 | 52.8 | 0 | 0 | 0 | 0 | 109.9 | D116 L120 | D116-T118 PolarHBondContact O-N 3.04Å; D116-T118 PolarHBondContact O-OG1 3.15Å; T118-L120 VanDerWaalsContact C-N 3.34Å; T118-L120 PolarHBondContact O-N 3.24Å | ||
| 119 | M | 51.8 | Low | 51.7 | Low | 175 Ų | 175 | 131.9 Ų | 131.9 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | trans | -65 | 97.6 | 162.6 | -71.7 | -99.7 | -68 | 0 | 0 | 107.2 | M121 | M119-M121 VanDerWaalsContact C-N 3.34Å; M119-M121 PolarHBondContact O-N 2.96Å | ||
| 120 | L | 53.5 | Low | 51.9 | Low | 146 Ų | 146 | 133.5 Ų | 133.5 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -68.9 | 96.4 | 169.8 | -65.9 | -178.6 | 0 | 0 | 0 | 108.3 | T118 E122 | T118-L120 VanDerWaalsContact C-N 3.34Å; T118-L120 PolarHBondContact O-N 3.24Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 2.9Å; L120-E122 VanDerWaalsContact O-N 3.15Å | ||
| 121 | M | 57.3 | Low | 52.1 | Low | 158 Ų | 158 | 132.2 Ų | 132.2 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | trans | -75.6 | 91.2 | 164.2 | -66.7 | 171.1 | 73.4 | 0 | 0 | 107.1 | M119 T123 | M119-M121 VanDerWaalsContact C-N 3.34Å; M119-M121 PolarHBondContact O-N 2.96Å; M121-T123 PolarHBondContact O-N 3.19Å; M121-T123 PolarHBondContact O-OG1 2.99Å | ||
| 122 | E | 54.5 | Low | 52.1 | Low | 189 Ų | 189 | 133.1 Ų | 133.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -59.5 | 102.3 | 168.2 | -71.9 | -106.2 | 119.1 | 0 | 0 | 108 | L120 H124 | L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 2.9Å; L120-E122 VanDerWaalsContact O-N 3.15Å; E122-H124 PolarHBondContact O-N 3.24Å | ||
| 123 | T | 63.2 | Low | 52.3 | Low | 112 Ų | 112 | 132.9 Ų | 132.9 | 69% | 0.687 | 82% | 0.816 | S | S | * | * | trans | -84.4 | 110 | -177.9 | -53.7 | 0 | 0 | 0 | 0 | 108.4 | M121 K125 | M121-T123 PolarHBondContact O-N 3.19Å; M121-T123 PolarHBondContact O-OG1 2.99Å; T123-K125 PolarHBondContact O-N 2.74Å | ||
| 124 | H | 47 | Very low | 52.4 | Low | 158 Ų | 158 | 132.9 Ų | 132.9 | 73% | 0.731 | 81% | 0.813 | S | S | * | * | trans | -68.5 | 118.9 | 172.7 | -173 | -130.6 | 0 | 0 | 0 | 110.2 | E122 T126 | E122-H124 PolarHBondContact O-N 3.24Å; H124-T126 PolarHBondContact CE1-OG1 2.64Å; H124-T126 PolarHBondContact ND1-OG1 2.96Å; H124-T126 PolarHBondContact NE2-OG1 3.1Å | ||
| 125 | K | 53.5 | Low | 52.9 | Low | 179 Ų | 179 | 138.1 Ų | 138.1 | 78% | 0.778 | 83% | 0.826 | S | S | * | * | trans | -118.1 | 92.9 | 161.6 | -68.4 | -117.6 | 166.2 | 174.9 | 0 | 108.1 | T123 | T123-K125 PolarHBondContact O-N 2.74Š| ||
| 126 | T | 58.6 | Low | 52.8 | Low | 102 Ų | 102 | 141.7 Ų | 141.7 | 63% | 0.626 | 83% | 0.832 | S | S | * | * | trans | -96.1 | 104 | 150.6 | 12.6 | 0 | 0 | 0 | 0 | 107.2 | H124 | H124-T126 PolarHBondContact CE1-OG1 2.64Å; H124-T126 PolarHBondContact ND1-OG1 2.96Å; H124-T126 PolarHBondContact NE2-OG1 3.1Å | ||
| 127 | V | 45.9 | Very low | 52.7 | Low | 141 Ų | 141 | 142.3 Ų | 142.3 | 86% | 0.855 | 84% | 0.841 | S | S | * | * | trans | -157.6 | 131.1 | 151.2 | -81 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 128 | G | 41.9 | Very low | 52.4 | Low | 157 Ų | 157 | 147.7 Ų | 147.7 | 100% | 1.619 | 84% | 0.841 | S | S | * | * | trans | 123.6 | 0 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 128 of 128 residues in 195.4 ms
(Link to these results)