| 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 | 42.2 | Very low | 42.7 | Very low | 247 Ų | 247 | 154.6 Ų | 154.6 | 100% | 1.217 | 85% | 0.849 | S | S | * | * | 0 | 100.9 | 0 | -82.6 | 167.9 | 155 | 0 | 0 | 107 | |||||
| 2 | T | 37 | Very low | 42.5 | Very low | 124 Ų | 124 | 157.1 Ų | 157.1 | 76% | 0.761 | 85% | 0.85 | S | S | * | * | trans | -69.8 | 139.2 | 171.1 | 34.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 3 | M | 52.2 | Low | 41.9 | Very low | 187 Ų | 187 | 159.5 Ų | 159.5 | 92% | 0.921 | 85% | 0.852 | S | S | * | * | trans | -140.7 | 114 | 157.3 | -77.9 | -65.7 | -175.8 | 0 | 0 | 107.6 | ||||
| 4 | D | 40 | Very low | 41.3 | Very low | 143 Ų | 143 | 153.8 Ų | 153.8 | 77% | 0.765 | 85% | 0.85 | S | S | * | * | trans | -69 | 146.6 | 170.1 | -58 | -75.4 | 0 | 0 | 0 | 111.2 | ||||
| 5 | T | 54.9 | Low | 40.9 | Very low | 145 Ų | 145 | 158.3 Ų | 158.3 | 89% | 0.89 | 85% | 0.849 | S | S | * | * | trans | -144.6 | 114.1 | 153.1 | 43.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 6 | E | 47.1 | Very low | 40.9 | Very low | 175 Ų | 175 | 160 Ų | 160 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | trans | -78.7 | 146.1 | 170.8 | -56.6 | -163.6 | 157.7 | 0 | 0 | 112.1 | ||||
| 7 | V | 45.3 | Very low | 40.7 | Very low | 143 Ų | 143 | 158.9 Ų | 158.9 | 87% | 0.867 | 84% | 0.841 | S | S | * | * | trans | -144.7 | 96 | 151.4 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 8 | V | 37.5 | Very low | 40.6 | Very low | 117 Ų | 117 | 156.7 Ų | 156.7 | 71% | 0.709 | 83% | 0.83 | S | S | * | * | 20.3 | 118.1 | 127.7 | 176 | 0 | 0 | 0 | 0 | 121 | |||||
| 9 | S | 33.5 | Very low | 40.5 | Very low | 104 Ų | 104 | 154.7 Ų | 154.7 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | 63 | 133.4 | 122.6 | -159 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 10 | S | 39.1 | Very low | 40.7 | Very low | 110 Ų | 110 | 154.3 Ų | 154.3 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | trans | 140.9 | 107.8 | 132 | -58.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 11 | K | 41 | Very low | 40.5 | Very low | 206 Ų | 206 | 152.8 Ų | 152.8 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | 66.2 | 108 | 56.2 | -146.5 | 178 | -173.1 | -174.8 | 0 | 114.8 | |||||
| 12 | Q | 39.8 | Very low | 40.4 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -157.8 | 105.1 | 161.6 | -158.7 | 166.7 | 14.5 | 0 | 0 | 106.3 | ||||
| 13 | E | 35.2 | Very low | 40.5 | Very low | 188 Ų | 188 | 152 Ų | 152 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | 50.6 | 128.3 | 88.3 | -63.8 | -158.1 | 153 | 0 | 0 | 112.6 | |||||
| 14 | G | 32.9 | Very low | 39.7 | Very low | 80 Ų | 80 | 150.4 Ų | 150.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | cis | -168.8 | -175.2 | 20.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 15 | R | 35.3 | Very low | 40.2 | Very low | 221 Ų | 221 | 148.9 Ų | 148.9 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | cis | -172.7 | 148.3 | 26.5 | 177.3 | 176.4 | 178.4 | -110.5 | -1.9 | 106.6 | D17 | R15-D17 IonicContact NH1-OD2 3.8Š| ||
| 16 | F | 41.8 | Very low | 39.1 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -57.9 | 152.2 | 170.7 | -85.8 | -111.3 | 0 | 0 | 0 | 113.4 | ||||
| 17 | D | 37.8 | Very low | 38.6 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | -153 | 134 | 128.1 | -97.4 | -39.9 | 0 | 0 | 0 | 111.7 | R15 | R15-D17 IonicContact NH1-OD2 3.8Š| |||
| 18 | D | 38.9 | Very low | 37.9 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 64% | 0.636 | 81% | 0.814 | S | S | * | * | trans | -98.6 | 143.2 | 179 | 169.8 | 38.4 | 0 | 0 | 0 | 108 | ||||
| 19 | S | 38.6 | Very low | 37.7 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | -160.7 | 105.3 | 164 | -81.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 20 | L | 43.8 | Very low | 37.7 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | -67.8 | 146 | 160.7 | -69.3 | 160.1 | 0 | 0 | 0 | 111.4 | ||||
| 21 | S | 36.8 | Very low | 37.3 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -154.6 | 102 | 153.1 | -52.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 22 | D | 40.5 | Very low | 37.3 | Very low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -61.3 | 145.6 | 154 | -89.1 | -55.7 | 0 | 0 | 0 | 109.4 | ||||
| 23 | E | 38.1 | Very low | 37.4 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -172.7 | 114.3 | 131.5 | -72.2 | -138.4 | 118.5 | 0 | 0 | 109.5 | ||||
| 24 | D | 36.3 | Very low | 37.6 | Very low | 155 Ų | 155 | 142.2 Ų | 142.2 | 83% | 0.829 | 81% | 0.808 | S | S | * | * | trans | -100.4 | 165.3 | 152.4 | -119.9 | -21.8 | 0 | 0 | 0 | 106.2 | ||||
| 25 | P | 50.6 | Low | 37.8 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | cis | -144.9 | 171.2 | 26.2 | 38.3 | -17.2 | 0 | 0 | 0 | 115.9 | ||||
| 26 | S | 31.1 | Very low | 37.8 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -177.8 | 145.8 | 133.2 | 34.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 27 | Q | 35.9 | Very low | 37.7 | Very low | 191 Ų | 191 | 136.5 Ų | 136.5 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -70.6 | 150.2 | -173.1 | -60.1 | 166.7 | -22.7 | 0 | 0 | 113.4 | ||||
| 28 | S | 32.3 | Very low | 37.6 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -166.1 | 148.6 | 138.4 | 30.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 29 | E | 32.2 | Very low | 37.5 | Very low | 181 Ų | 181 | 138.2 Ų | 138.2 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -87.9 | 159 | -157.7 | -58.5 | 165.4 | 91.4 | 0 | 0 | 114.5 | ||||
| 30 | S | 33.9 | Very low | 37.5 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | trans | 80.3 | 140.6 | 137 | 80.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 31 | N | 30.1 | Very low | 37.1 | Very low | 149 Ų | 149 | 137.8 Ų | 137.8 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | 82.8 | 94.6 | 152.4 | -69.1 | -8.7 | 0 | 0 | 0 | 119.4 | ||||
| 32 | S | 42.4 | Very low | 37 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -48.5 | 157.7 | 148.1 | 38.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 33 | P | 41.3 | Very low | 37 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | -137.2 | 136.7 | 121.2 | 34.1 | -20.7 | 0 | 0 | 0 | 114.1 | A35 | P33-A35 PolarHBondContact O-N 2.8Š| |||
| 34 | T | 39.8 | Very low | 37 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -51.8 | 121.6 | 161 | -55 | 0 | 0 | 0 | 0 | 110.6 | V36 | T34-V36 PolarHBondContact O-N 3.39Š| ||
| 35 | A | 36 | Very low | 37.4 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -77.5 | 114.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | P33 | P33-A35 PolarHBondContact O-N 2.8Š| ||
| 36 | V | 34.7 | Very low | 37.2 | Very low | 122 Ų | 122 | 127.5 Ų | 127.5 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | trans | -83.5 | 122.2 | 170.1 | 176.3 | 0 | 0 | 0 | 0 | 108.2 | T34 T38 | T34-V36 PolarHBondContact O-N 3.39Å; V36-T38 PolarHBondContact O-N 2.93Å | ||
| 37 | I | 40.4 | Very low | 37.7 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -86.7 | 106.2 | 173.9 | -58.5 | 173.9 | 0 | 0 | 0 | 108 | Q39 | I37-Q39 HydrophobicContact CG2-CG 4.3Š| ||
| 38 | T | 36.9 | Very low | 38.2 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -99.2 | 108.5 | 167.7 | -54.1 | 0 | 0 | 0 | 0 | 108.5 | V36 | V36-T38 PolarHBondContact O-N 2.93Š| ||
| 39 | Q | 36.3 | Very low | 39 | Very low | 180 Ų | 180 | 125.5 Ų | 125.5 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -79.9 | 116.4 | 171.5 | -73.8 | -174.6 | -45.1 | 0 | 0 | 109.6 | I37 | I37-Q39 HydrophobicContact CG2-CG 4.3Š| ||
| 40 | V | 37.4 | Very low | 39.8 | Very low | 133 Ų | 133 | 121.6 Ų | 121.6 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -108.5 | 114 | 164.3 | 34.5 | 0 | 0 | 0 | 0 | 107.6 | G42 | V40-G42 PolarHBondContact O-N 3.29Š| ||
| 41 | S | 36.9 | Very low | 40.1 | Very low | 125 Ų | 125 | 122.4 Ų | 122.4 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -71.9 | 117.4 | 174.6 | -63 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 42 | G | 33 | Very low | 41.1 | Very low | 68 Ų | 68 | 119.5 Ų | 119.5 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -137.3 | 118.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V40 S44 | V40-G42 PolarHBondContact O-N 3.29Å; G42-S44 PolarHBondContact O-N 3.06Å | ||
| 43 | D | 40.8 | Very low | 41.3 | Very low | 176 Ų | 176 | 121 Ų | 121 | 94% | 0.941 | 76% | 0.757 | S | S | * | * | trans | -70.1 | 107.3 | -174.6 | -159.8 | 14.8 | 0 | 0 | 0 | 110.6 | ||||
| 44 | S | 39.4 | Very low | 41.9 | Very low | 106 Ų | 106 | 119.7 Ų | 119.7 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 168.2 | 124.1 | 147.4 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | G42 | G42-S44 PolarHBondContact O-N 3.06Š|
| 45 | A | 44.8 | Very low | 42.6 | Very low | 85 Ų | 85 | 116.5 Ų | 116.5 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 39.2 | 82.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119 | M47 | A45-M47 VanDerWaalsContact C-N 3.32Å; A45-M47 PolarHBondContact O-N 3.24Å |
| 46 | G | 45.6 | Very low | 43 | Very low | 90 Ų | 90 | 118.8 Ų | 118.8 | 93% | 0.928 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 52.9 | 20.6 | 132.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||
| 47 | M | 42.5 | Very low | 43.5 | Very low | 159 Ų | 159 | 116.9 Ų | 116.9 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | trans | -115.9 | 117.5 | 173.3 | -77.1 | -153.7 | 162.2 | 0 | 0 | 111.6 | A45 | A45-M47 VanDerWaalsContact C-N 3.32Å; A45-M47 PolarHBondContact O-N 3.24Å | ||
| 48 | T | 46.2 | Very low | 43.7 | Very low | 138 Ų | 138 | 115.5 Ų | 115.5 | 85% | 0.847 | 72% | 0.719 | S | S | * | * | trans | -99.1 | 110.6 | 169.8 | -38.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 49 | V | 48.1 | Very low | 44.2 | Very low | 100 Ų | 100 | 118 Ų | 118 | 61% | 0.606 | 72% | 0.723 | S | S | * | * | trans | -91.5 | 119.7 | 173.2 | -179.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 50 | V | 49.2 | Very low | 44.6 | Very low | 98 Ų | 98 | 115.6 Ų | 115.6 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | trans | -97.9 | 112.6 | 172.7 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 51 | Q | 40.3 | Very low | 44.8 | Very low | 119 Ų | 119 | 117.1 Ų | 117.1 | 56% | 0.556 | 72% | 0.718 | S | S | * | * | B | Isolated β-bridge | trans | -91.9 | 115 | 177.8 | -168.8 | 74.8 | 30.9 | 0 | 0 | 109.7 | ||
| 52 | L | 51.7 | Low | 45.1 | Very low | 89 Ų | 89 | 113.4 Ų | 113.4 | 47% | 0.466 | 70% | 0.7 | S | S | . | * | trans | -86 | 155.5 | 172 | -71.9 | 151.1 | 0 | 0 | 0 | 110.5 | S54 G55 | L52-S54 PolarHBondContact O-N 3.11Å; L52-G55 PolarHBondContact O-N 2.89Å | ||
| 53 | P | 46.9 | Very low | 45.6 | Very low | 143 Ų | 143 | 116.8 Ų | 116.8 | 93% | 0.929 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 2.6 | -170.9 | -16.2 | 29.9 | 0 | 0 | 0 | 116 | ||
| 54 | S | 53.8 | Low | 45.7 | Very low | 97 Ų | 97 | 116 Ų | 116 | 68% | 0.678 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 13.4 | -179.2 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | L52 Q56 | L52-S54 PolarHBondContact O-N 3.11Å; S54-Q56 VanDerWaalsContact C-N 3.33Å; S54-Q56 PolarHBondContact O-N 2.95Å |
| 55 | G | 53.8 | Low | 45.8 | Very low | 58 Ų | 58 | 119.5 Ų | 119.5 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 75.4 | 10.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | L52 | L52-G55 PolarHBondContact O-N 2.89Š|
| 56 | Q | 44.1 | Very low | 45.8 | Very low | 142 Ų | 142 | 118.5 Ų | 118.5 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 128.5 | 170.1 | -82.8 | 178.5 | 37.1 | 0 | 0 | 111.5 | S54 | S54-Q56 VanDerWaalsContact C-N 3.33Å; S54-Q56 PolarHBondContact O-N 2.95Å |
| 57 | T | 45.8 | Very low | 45.8 | Very low | 82 Ų | 82 | 120.6 Ų | 120.6 | 50% | 0.503 | 69% | 0.694 | S | S | . | * | B | Isolated β-bridge | trans | -93.5 | 121.2 | 173.9 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 58 | L | 43.5 | Very low | 46.2 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 64% | 0.644 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 117.9 | 170.8 | -76.5 | 171.1 | 0 | 0 | 0 | 109.2 | V60 | L58-V60 PolarHBondContact O-N 2.99Š|
| 59 | H | 48 | Very low | 46.1 | Very low | 167 Ų | 167 | 119.4 Ų | 119.4 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | trans | -82.8 | 107.1 | 172.8 | -72.5 | -163.3 | 0 | 0 | 0 | 108.9 | ||||
| 60 | V | 45.8 | Very low | 45.9 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 79% | 0.788 | 70% | 0.704 | S | S | * | * | trans | -106.9 | 109.4 | 175.3 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | L58 G62 | L58-V60 PolarHBondContact O-N 2.99Å; V60-G62 PolarHBondContact O-N 2.97Å; V60-G62 VanDerWaalsContact O-N 3.09Å | ||
| 61 | Q | 39.9 | Very low | 45.8 | Very low | 164 Ų | 164 | 121.4 Ų | 121.4 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | trans | -72.2 | 97.5 | 176 | -177.4 | 65.9 | 65.7 | 0 | 0 | 109.6 | V63 | Q61-V63 PolarHBondContact O-N 3.3Š| ||
| 62 | G | 44 | Very low | 45.7 | Very low | 48 Ų | 48 | 123.2 Ų | 123.2 | 50% | 0.495 | 72% | 0.724 | S | S | . | * | trans | -66.4 | 125.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V60 I64 | V60-G62 PolarHBondContact O-N 2.97Å; V60-G62 VanDerWaalsContact O-N 3.09Å; G62-I64 PolarHBondContact O-N 3.45Å | ||
| 63 | V | 44.3 | Very low | 45.1 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | -81.4 | 87.8 | 169.5 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | Q61 | Q61-V63 PolarHBondContact O-N 3.3Š| ||
| 64 | I | 42.4 | Very low | 44.8 | Very low | 159 Ų | 159 | 123.9 Ų | 123.9 | 82% | 0.815 | 72% | 0.722 | S | S | * | * | trans | -103.7 | 105.4 | 161.8 | -59.1 | -177.7 | 0 | 0 | 0 | 106.8 | G62 A66 | G62-I64 PolarHBondContact O-N 3.45Å; I64-A66 PolarHBondContact O-N 3.38Å | ||
| 65 | Q | 41.3 | Very low | 44.1 | Very low | 180 Ų | 180 | 125 Ų | 125 | 84% | 0.841 | 73% | 0.728 | S | S | * | * | trans | -75.9 | 103.8 | 172.7 | -170.5 | 169.5 | 74.1 | 0 | 0 | 108.5 | ||||
| 66 | A | 44.2 | Very low | 43.3 | Very low | 65 Ų | 65 | 129.5 Ų | 129.5 | 54% | 0.537 | 73% | 0.733 | S | S | . | * | trans | -65.3 | 152.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I64 Q68 | I64-A66 PolarHBondContact O-N 3.38Å; A66-Q68 PolarHBondContact O-N 3.15Å | ||
| 67 | P | 46.1 | Very low | 43 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | trans | -68.9 | 106 | 177.2 | 28.2 | -31.2 | 0 | 0 | 0 | 109.6 | A69 | P67-A69 PolarHBondContact O-N 3.31Š| ||
| 68 | Q | 50.9 | Low | 42.8 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -68.2 | 117.7 | 170.3 | -66.8 | -93.7 | -26.9 | 0 | 0 | 108.5 | A66 S70 | A66-Q68 PolarHBondContact O-N 3.15Å; Q68-S70 PolarHBondContact O-N 2.92Å | ||
| 69 | A | 44.8 | Very low | 42.5 | Very low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -62 | 107.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | P67 V71 | P67-A69 PolarHBondContact O-N 3.31Å; A69-V71 PolarHBondContact O-N 3.08Å | ||
| 70 | S | 42.3 | Very low | 42 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | -69.7 | 129.1 | -179.8 | -76.2 | 0 | 0 | 0 | 0 | 111.6 | Q68 I72 | Q68-S70 PolarHBondContact O-N 2.92Å; S70-I72 PolarHBondContact O-N 3.25Å | ||
| 71 | V | 48 | Very low | 41.4 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -56.6 | 119 | 170 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | A69 Q73 | A69-V71 PolarHBondContact O-N 3.08Å; V71-Q73 HydrophobicContact CG1-CB 4.46Å | ||
| 72 | I | 38.7 | Very low | 41.1 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | trans | -125 | 95.4 | 151 | -60 | -178.5 | 0 | 0 | 0 | 107.7 | S70 S74 | S70-I72 PolarHBondContact O-N 3.25Å; I72-S74 PolarHBondContact O-N 3.27Å | ||
| 73 | Q | 38.3 | Very low | 40.7 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 117.7 | 167.4 | -170.5 | 174.3 | 11.3 | 0 | 0 | 109.2 | V71 | V71-Q73 HydrophobicContact CG1-CB 4.46Š|
| 74 | S | 40.2 | Very low | 40.3 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 149.2 | 170.9 | -68.6 | 0 | 0 | 0 | 0 | 110.3 | I72 Q76 | I72-S74 PolarHBondContact O-N 3.27Å; S74-Q76 PolarHBondContact O-N 2.9Å |
| 75 | P | 40.9 | Very low | 40 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 135 | -177 | 29 | -32.1 | 0 | 0 | 0 | 110 | M77 | P75-M77 PolarHBondContact O-N 2.88Š|
| 76 | Q | 36.1 | Very low | 39.8 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | trans | -64.8 | 114.9 | -177.5 | -50.5 | 175.3 | 11.8 | 0 | 0 | 108.9 | S74 | S74-Q76 PolarHBondContact O-N 2.9Š| ||
| 77 | M | 38.2 | Very low | 39.3 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | -89.6 | 109.9 | 157.2 | -77.4 | -77.9 | -68.1 | 0 | 0 | 106 | P75 N79 | P75-M77 PolarHBondContact O-N 2.88Å; M77-N79 PolarHBondContact O-N 3.29Å | ||
| 78 | Q | 41.7 | Very low | 39.6 | Very low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -53.9 | 109.7 | 166.4 | -93.1 | 110.2 | -9.6 | 0 | 0 | 108.5 | ||||
| 79 | N | 35.9 | Very low | 39.1 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -103.3 | 114.3 | 160.2 | -139 | 27.5 | 0 | 0 | 0 | 106.9 | M77 Q81 | M77-N79 PolarHBondContact O-N 3.29Å; N79-Q81 PolarHBondContact O-N 3.36Å | ||
| 80 | V | 37.5 | Very low | 39.2 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -52.8 | 123.7 | 172.9 | 172.2 | 0 | 0 | 0 | 0 | 108.2 | I82 | V80-I82 PolarHBondContact O-N 3.13Š| ||
| 81 | Q | 33 | Very low | 39.5 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -60.6 | 118.6 | 174.9 | -75.1 | 174 | -18.6 | 0 | 0 | 109.5 | N79 | N79-Q81 PolarHBondContact O-N 3.36Š| ||
| 82 | I | 33.9 | Very low | 39.6 | Very low | 156 Ų | 156 | 139 Ų | 139 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | -108.8 | 99.4 | 152.5 | -59.4 | 176.7 | 0 | 0 | 0 | 106.1 | V80 S84 | V80-I82 PolarHBondContact O-N 3.13Å; I82-S84 PolarHBondContact O-N 3.37Å | ||
| 83 | T | 36.8 | Very low | 40.4 | Very low | 102 Ų | 102 | 136 Ų | 136 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | trans | -55.8 | 121 | 165.2 | -63.4 | 0 | 0 | 0 | 0 | 109.5 | I85 | T83-I85 HydrophobicContact CG2-CD1 4.05Å; T83-I85 HydrophobicContact CG2-CG1 3.76Å | ||
| 84 | S | 34.3 | Very low | 41.2 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -147 | 137.7 | 147.8 | -78 | 0 | 0 | 0 | 0 | 109.2 | I82 | I82-S84 PolarHBondContact O-N 3.37Š| ||
| 85 | I | 37.8 | Very low | 42.2 | Very low | 148 Ų | 148 | 131.6 Ų | 131.6 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -109.7 | 149.5 | -150.7 | -50.8 | 168.2 | 0 | 0 | 0 | 107.2 | T83 | T83-I85 HydrophobicContact CG2-CD1 4.05Å; T83-I85 HydrophobicContact CG2-CG1 3.76Å | ||
| 86 | A | 37 | Very low | 43.8 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | trans | 77.9 | 134.6 | 162 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 87 | G | 32.1 | Very low | 45.9 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | trans | 149.4 | 73.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E89 | G87-E89 PolarHBondContact O-N 2.92Š| ||
| 88 | L | 52.5 | Low | 48.2 | Very low | 177 Ų | 177 | 121.2 Ų | 121.2 | 93% | 0.927 | 71% | 0.711 | S | S | * | * | trans | -70.6 | 97.9 | 165 | -78.3 | 162.4 | 0 | 0 | 0 | 108.6 | ||||
| 89 | E | 40.8 | Very low | 50.3 | Low | 190 Ų | 190 | 118.4 Ų | 118.4 | 89% | 0.888 | 70% | 0.698 | S | S | * | * | trans | -145.6 | 146.7 | 161.5 | -65.1 | -167 | 146.8 | 0 | 0 | 112.1 | G87 | G87-E89 PolarHBondContact O-N 2.92Š| ||
| 90 | D | 46.8 | Very low | 53 | Low | 162 Ų | 162 | 117 Ų | 117 | 87% | 0.866 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -78.6 | 148.9 | -159.1 | -154.4 | 4.4 | 0 | 0 | 0 | 112.6 | E92 | D90-E92 PolarHBondContact O-N 3.11Š|
| 91 | G | 49.6 | Very low | 55.5 | Low | 62 Ų | 62 | 118.8 Ų | 118.8 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 71 | -10.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||
| 92 | E | 50.3 | Low | 58.3 | Low | 142 Ų | 142 | 118.1 Ų | 118.1 | 66% | 0.664 | 67% | 0.667 | S | S | * | * | trans | -92.9 | 1.1 | -170.9 | -169.4 | 164.2 | 171.4 | 0 | 0 | 115.7 | D90 T96 | D90-E92 PolarHBondContact O-N 3.11Å; E92-T96 HydrophobicContact CG-CG2 4.23Å; E92-T96 PolarHBondContact O-OG1 2.9Å | ||
| 93 | S | 54.4 | Low | 61 | Low | 94 Ų | 94 | 115.7 Ų | 115.7 | 66% | 0.657 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.5 | -30 | -178.5 | 59.2 | 0 | 0 | 0 | 0 | 113.7 | T96 D97 | S93-T96 PolarHBondContact O-OG1 2.92Å; S93-D97 WeakPolarHBondContact O-CB 3.36Å; S93-D97 PolarHBondContact O-N 2.87Å |
| 94 | T | 56.4 | Low | 63.7 | Low | 93 Ų | 93 | 116.2 Ų | 116.2 | 57% | 0.571 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -84.8 | -33.8 | -176.7 | 59.4 | 0 | 0 | 0 | 0 | 113 | D97 T98 | T94-D97 PolarHBondContact O-N 3Å; T94-T98 WeakPolarHBondContact O-CB 3.36Å; T94-T98 VanDerWaalsContact O-CG2 3.23Å; T94-T98 WeakPolarHBondContact O-CG2 3.11Å; T94-T98 PolarHBondContact O-N 3.37Å; T94-T98 PolarHBondContact O-OG1 2.89Å |
| 95 | A | 60.3 | Low | 66.4 | Low | 59 Ų | 59 | 112 Ų | 112 | 49% | 0.488 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.7 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T98 Q99 | A95-T98 WeakPolarHBondContact CA-OG1 3.47Å; A95-T98 PolarHBondContact O-OG1 3.47Å; A95-Q99 WeakPolarHBondContact O-CB 3.41Å; A95-Q99 PolarHBondContact O-N 3.49Å; A95-Q99 VanDerWaalsContact O-N 3.11Å |
| 96 | T | 75.4 | Confident | 68.9 | Low | 59 Ų | 59 | 107.1 Ų | 107.1 | 36% | 0.362 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -74.1 | -36 | 177 | 59.3 | 0 | 0 | 0 | 0 | 112.3 | E92 S93 Q99 K100 | E92-T96 HydrophobicContact CG-CG2 4.23Å; E92-T96 PolarHBondContact O-OG1 2.9Å; S93-T96 PolarHBondContact O-OG1 2.92Å; T96-Q99 PolarHBondContact O-N 3.07Å; T96-K100 WeakPolarHBondContact O-CB 3.42Å; T96-K100 VanDerWaalsContact O-CG 3.24Å; T96-K100 WeakPolarHBondContact O-CG 3.32Å; T96-K100 PolarHBondContact O-N 3.23Å |
| 97 | D | 79.6 | Confident | 71.5 | Confident | 97 Ų | 97 | 110.7 Ų | 110.7 | 52% | 0.519 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.2 | -43.6 | 174.7 | -176 | 61.4 | 0 | 0 | 0 | 112.5 | S93 T94 Q99 K100 R101 | S93-D97 WeakPolarHBondContact O-CB 3.36Å; S93-D97 PolarHBondContact O-N 2.87Å; T94-D97 PolarHBondContact O-N 3Å; D97-Q99 VanDerWaalsContact C-N 3.31Å; D97-Q99 PolarHBondContact O-N 3.27Å; D97-K100 PolarHBondContact O-N 2.92Å; D97-R101 WeakPolarHBondContact O-CB 3.35Å; D97-R101 PolarHBondContact O-N 3.29Å |
| 98 | T | 85.6 | Confident | 74.5 | Confident | 76 Ų | 76 | 113.6 Ų | 113.6 | 47% | 0.466 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64 | -36.4 | 175.3 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | T94 A95 R101 R102 | T94-T98 WeakPolarHBondContact O-CB 3.36Å; T94-T98 VanDerWaalsContact O-CG2 3.23Å; T94-T98 WeakPolarHBondContact O-CG2 3.11Å; T94-T98 PolarHBondContact O-N 3.37Å; T94-T98 PolarHBondContact O-OG1 2.89Å; A95-T98 WeakPolarHBondContact CA-OG1 3.47Å; A95-T98 PolarHBondContact O-OG1 3.47Å; T98-R101 PolarHBondContact O-N 2.92Å; T98-R102 VanDerWaalsContact O-CB 3.3Å; T98-R102 WeakPolarHBondContact O-CB 3.46Å; T98-R102 PolarHBondContact O-N 3.01Å |
| 99 | Q | 87.1 | Confident | 76.2 | Confident | 113 Ų | 113 | 110.4 Ų | 110.4 | 53% | 0.528 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.3 | -44.5 | 174.1 | -175.7 | 64.5 | -1.9 | 0 | 0 | 111.7 | A95 T96 D97 R101 R102 E103 | A95-Q99 WeakPolarHBondContact O-CB 3.41Å; A95-Q99 PolarHBondContact O-N 3.49Å; A95-Q99 VanDerWaalsContact O-N 3.11Å; T96-Q99 PolarHBondContact O-N 3.07Å; D97-Q99 VanDerWaalsContact C-N 3.31Å; D97-Q99 PolarHBondContact O-N 3.27Å; Q99-R101 PolarHBondContact O-N 2.85Å; Q99-R102 WeakPolarHBondContact O-CB 3.42Å; Q99-R102 PolarHBondContact O-N 2.96Å; Q99-E103 PolarHBondContact O-N 2.89Å |
| 100 | K | 91.1 | Very high | 78.7 | Confident | 126 Ų | 126 | 104.4 Ų | 104.4 | 55% | 0.548 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 174.4 | -72.6 | 169 | -176.5 | 174.3 | 0 | 111.6 | T96 D97 R102 E103 I104 | T96-K100 WeakPolarHBondContact O-CB 3.42Å; T96-K100 VanDerWaalsContact O-CG 3.24Å; T96-K100 WeakPolarHBondContact O-CG 3.32Å; T96-K100 PolarHBondContact O-N 3.23Å; D97-K100 PolarHBondContact O-N 2.92Å; K100-R102 VanDerWaalsContact C-N 3.34Å; K100-R102 PolarHBondContact O-N 2.94Å; K100-E103 PolarHBondContact O-N 3.21Å; K100-I104 WeakPolarHBondContact O-CD1 3.43Å; K100-I104 VanDerWaalsContact O-CG1 3.23Å; K100-I104 WeakPolarHBondContact O-CG1 3.36Å; K100-I104 PolarHBondContact O-N 2.71Å |
| 101 | R | 91.9 | Very high | 81 | Confident | 163 Ų | 163 | 100.8 Ų | 100.8 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -42.2 | 175.2 | -173.9 | 177.3 | -178.2 | -87.2 | 2.1 | 111.5 | D97 T98 Q99 I104 L105 | D97-R101 WeakPolarHBondContact O-CB 3.35Å; D97-R101 PolarHBondContact O-N 3.29Å; T98-R101 PolarHBondContact O-N 2.92Å; Q99-R101 PolarHBondContact O-N 2.85Å; R101-I104 PolarHBondContact O-N 3.27Å; R101-L105 HydrophobicContact CG-CD1 4.18Å; R101-L105 WeakPolarHBondContact O-CB 3.2Å; R101-L105 VanDerWaalsContact O-CG 3.23Å; R101-L105 WeakPolarHBondContact O-CG 3.49Å; R101-L105 PolarHBondContact O-N 3.37Å |
| 102 | R | 90.4 | Very high | 83 | Confident | 162 Ų | 162 | 105.3 Ų | 105.3 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 176.7 | -172.1 | -174.3 | -60.4 | -136.7 | 1.8 | 111.7 | T98 Q99 K100 L105 S106 | T98-R102 VanDerWaalsContact O-CB 3.3Å; T98-R102 WeakPolarHBondContact O-CB 3.46Å; T98-R102 PolarHBondContact O-N 3.01Å; Q99-R102 WeakPolarHBondContact O-CB 3.42Å; Q99-R102 PolarHBondContact O-N 2.96Å; K100-R102 VanDerWaalsContact C-N 3.34Å; K100-R102 PolarHBondContact O-N 2.94Å; R102-L105 PolarHBondContact O-N 3.44Å; R102-S106 WeakPolarHBondContact O-CB 3.33Å; R102-S106 PolarHBondContact O-N 2.96Å; R102-S106 PolarHBondContact O-OG 2.96Å |
| 103 | E | 90.9 | Very high | 85.1 | Confident | 105 Ų | 105 | 105 Ų | 105 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 177.7 | -168.7 | -173.7 | 163.6 | 0 | 0 | 112.2 | Q99 K100 L105 S106 R107 | Q99-E103 PolarHBondContact O-N 2.89Å; K100-E103 PolarHBondContact O-N 3.21Å; E103-L105 VanDerWaalsContact C-N 3.29Å; E103-L105 PolarHBondContact O-N 3.11Å; E103-S106 WeakPolarHBondContact CA-OG 3.5Å; E103-S106 PolarHBondContact O-N 3.24Å; E103-S106 PolarHBondContact O-OG 3.37Å; E103-R107 VanDerWaalsContact O-CG 3.29Å; E103-R107 WeakPolarHBondContact O-CG 3.29Å; E103-R107 PolarHBondContact O-N 3.46Å; E103-R107 VanDerWaalsContact O-N 3.15Å |
| 104 | I | 92.6 | Very high | 86.9 | Confident | 113 Ų | 113 | 104.8 Ų | 104.8 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 176.5 | -68.2 | 164.1 | 0 | 0 | 0 | 110.6 | K100 R101 R108 | K100-I104 WeakPolarHBondContact O-CD1 3.43Å; K100-I104 VanDerWaalsContact O-CG1 3.23Å; K100-I104 WeakPolarHBondContact O-CG1 3.36Å; K100-I104 PolarHBondContact O-N 2.71Å; R101-I104 PolarHBondContact O-N 3.27Å; I104-R108 WeakPolarHBondContact O-CG 3.4Å |
| 105 | L | 92.2 | Very high | 88.3 | Confident | 31 Ų | 31 | 104.7 Ų | 104.7 | 16% | 0.162 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -70.1 | -44 | 177.4 | -70 | 172.5 | 0 | 0 | 0 | 111.8 | R101 R102 E103 R107 R108 Y111 | R101-L105 HydrophobicContact CG-CD1 4.18Å; R101-L105 WeakPolarHBondContact O-CB 3.2Å; R101-L105 VanDerWaalsContact O-CG 3.23Å; R101-L105 WeakPolarHBondContact O-CG 3.49Å; R101-L105 PolarHBondContact O-N 3.37Å; R102-L105 PolarHBondContact O-N 3.44Å; E103-L105 VanDerWaalsContact C-N 3.29Å; E103-L105 PolarHBondContact O-N 3.11Å; L105-R107 PolarHBondContact O-N 2.88Å; L105-R108 WeakPolarHBondContact O-CB 3.48Å; L105-R108 PolarHBondContact O-N 3.48Å; L105-Y111 HydrophobicContact CB-CD1 4.24Å; L105-Y111 HydrophobicContact CB-CD2 3.98Å; L105-Y111 HydrophobicContact CB-CE1 4.32Å; L105-Y111 HydrophobicContact CB-CE2 4.06Å; L105-Y111 HydrophobicContact CB-CG 4.07Å; L105-Y111 HydrophobicContact CD1-CE2 4.31Å; L105-Y111 WeakPolarHBondContact O-CB 3.25Å; L105-Y111 WeakPolarHBondContact O-CD1 3.48Å |
| 106 | S | 89.1 | Confident | 89.6 | Confident | 46 Ų | 46 | 107.3 Ų | 107.3 | 32% | 0.322 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -20 | -179.6 | 68.6 | 0 | 0 | 0 | 0 | 114.2 | R102 E103 R112 | R102-S106 WeakPolarHBondContact O-CB 3.33Å; R102-S106 PolarHBondContact O-N 2.96Å; R102-S106 PolarHBondContact O-OG 2.96Å; E103-S106 WeakPolarHBondContact CA-OG 3.5Å; E103-S106 PolarHBondContact O-N 3.24Å; E103-S106 PolarHBondContact O-OG 3.37Å; S106-R112 VanDerWaalsContact O-CG 3.24Å; S106-R112 WeakPolarHBondContact O-CG 3.39Å; S106-R112 PolarHBondContact O-NE 3.21Å |
| 107 | R | 92.6 | Very high | 90.3 | Very high | 178 Ų | 178 | 108.6 Ų | 108.6 | 67% | 0.672 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -18.1 | 170.9 | -68.8 | 176.2 | 76.4 | -178.9 | 4.2 | 113.5 | E103 L105 | E103-R107 VanDerWaalsContact O-CG 3.29Å; E103-R107 WeakPolarHBondContact O-CG 3.29Å; E103-R107 PolarHBondContact O-N 3.46Å; E103-R107 VanDerWaalsContact O-N 3.15Å; L105-R107 PolarHBondContact O-N 2.88Å |
| 108 | R | 94.1 | Very high | 90.5 | Very high | 137 Ų | 137 | 109.8 Ų | 109.8 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -78.2 | 132.2 | -179.4 | -66.5 | 171.4 | 69.4 | 171.6 | 0.7 | 111 | I104 L105 S110 Y111 R112 | I104-R108 WeakPolarHBondContact O-CG 3.4Å; L105-R108 WeakPolarHBondContact O-CB 3.48Å; L105-R108 PolarHBondContact O-N 3.48Å; R108-S110 VanDerWaalsContact C-N 3.31Å; R108-S110 PolarHBondContact O-N 2.96Å; R108-Y111 PolarHBondContact O-N 3Å; R108-R112 PolarHBondContact O-N 3.39Å; R108-R112 VanDerWaalsContact O-N 3.14Å |
| 109 | P | 89.8 | Confident | 90.1 | Very high | 111 Ų | 111 | 110.3 Ų | 110.3 | 72% | 0.721 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.6 | -39.9 | -179.6 | -25.7 | 33.4 | 0 | 0 | 0 | 113.8 | Y111 R112 K113 | P109-Y111 PolarHBondContact O-N 3.01Å; P109-R112 PolarHBondContact O-N 3.43Å; P109-K113 WeakPolarHBondContact O-CB 3.48Å; P109-K113 PolarHBondContact O-N 2.92Å |
| 110 | S | 93.5 | Very high | 88.9 | Confident | 64 Ų | 64 | 109.1 Ų | 109.1 | 45% | 0.448 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | 179.9 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | R108 K113 I114 | R108-S110 VanDerWaalsContact C-N 3.31Å; R108-S110 PolarHBondContact O-N 2.96Å; S110-K113 PolarHBondContact O-N 3.48Å; S110-I114 WeakPolarHBondContact O-CD1 3.33Å; S110-I114 VanDerWaalsContact O-CG1 3.31Å; S110-I114 WeakPolarHBondContact O-CG1 3.43Å; S110-I114 PolarHBondContact O-N 3.3Å; S110-I114 VanDerWaalsContact O-N 3.11Å |
| 111 | Y | 94.3 | Very high | 87.2 | Confident | 86 Ų | 86 | 108.2 Ų | 108.2 | 34% | 0.337 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.4 | -39.3 | 179.8 | -171.7 | -89.3 | 0 | 0 | 0 | 111 | L105 R108 P109 K113 I114 L115 | L105-Y111 HydrophobicContact CB-CD1 4.24Å; L105-Y111 HydrophobicContact CB-CD2 3.98Å; L105-Y111 HydrophobicContact CB-CE1 4.32Å; L105-Y111 HydrophobicContact CB-CE2 4.06Å; L105-Y111 HydrophobicContact CB-CG 4.07Å; L105-Y111 HydrophobicContact CD1-CE2 4.31Å; L105-Y111 WeakPolarHBondContact O-CB 3.25Å; L105-Y111 WeakPolarHBondContact O-CD1 3.48Å; R108-Y111 PolarHBondContact O-N 3Å; P109-Y111 PolarHBondContact O-N 3.01Å; Y111-K113 VanDerWaalsContact C-N 3.31Å; Y111-K113 PolarHBondContact O-N 3.14Å; Y111-I114 PolarHBondContact O-N 3.36Å; Y111-L115 VanDerWaalsContact O-CB 3.31Å; Y111-L115 WeakPolarHBondContact O-CB 3.49Å; Y111-L115 PolarHBondContact O-N 2.84Å |
| 112 | R | 92.5 | Very high | 85.2 | Confident | 156 Ų | 156 | 105.8 Ų | 105.8 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.6 | -41 | 171.3 | -73.1 | -166.7 | -164.8 | 162 | -0.1 | 112.4 | S106 R108 P109 L115 N116 | S106-R112 VanDerWaalsContact O-CG 3.24Å; S106-R112 WeakPolarHBondContact O-CG 3.39Å; S106-R112 PolarHBondContact O-NE 3.21Å; R108-R112 PolarHBondContact O-N 3.39Å; R108-R112 VanDerWaalsContact O-N 3.14Å; P109-R112 PolarHBondContact O-N 3.43Å; R112-L115 PolarHBondContact O-N 3.49Å; R112-N116 WeakPolarHBondContact O-CB 3.2Å; R112-N116 PolarHBondContact O-N 2.94Å |
| 113 | K | 93 | Very high | 83.3 | Confident | 137 Ų | 137 | 103.6 Ų | 103.6 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.9 | -50.6 | 179.7 | -161.2 | -171.2 | -178.3 | -155.8 | 0 | 110.9 | P109 S110 Y111 L115 N116 E117 | P109-K113 WeakPolarHBondContact O-CB 3.48Å; P109-K113 PolarHBondContact O-N 2.92Å; S110-K113 PolarHBondContact O-N 3.48Å; Y111-K113 VanDerWaalsContact C-N 3.31Å; Y111-K113 PolarHBondContact O-N 3.14Å; K113-L115 PolarHBondContact O-N 3.04Å; K113-N116 PolarHBondContact O-N 3.08Å; K113-E117 WeakPolarHBondContact CE-OE1 3.38Å; K113-E117 WeakPolarHBondContact CG-OE1 3.44Å; K113-E117 IonicContact NZ-OE1 2.65Å; K113-E117 WeakPolarHBondContact O-CB 3.48Å; K113-E117 VanDerWaalsContact O-CG 3.27Å; K113-E117 WeakPolarHBondContact O-CG 3.37Å; K113-E117 PolarHBondContact O-N 3.06Å |
| 114 | I | 92.5 | Very high | 81 | Confident | 89 Ų | 89 | 102.2 Ų | 102.2 | 46% | 0.456 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177.3 | -63.5 | 162.8 | 0 | 0 | 0 | 110.9 | S110 Y111 N116 E117 L118 | S110-I114 WeakPolarHBondContact O-CD1 3.33Å; S110-I114 VanDerWaalsContact O-CG1 3.31Å; S110-I114 WeakPolarHBondContact O-CG1 3.43Å; S110-I114 PolarHBondContact O-N 3.3Å; S110-I114 VanDerWaalsContact O-N 3.11Å; Y111-I114 PolarHBondContact O-N 3.36Å; I114-N116 VanDerWaalsContact C-N 3.3Å; I114-N116 PolarHBondContact O-N 3.38Å; I114-E117 PolarHBondContact O-N 2.85Å; I114-L118 HydrophobicContact CG2-CD1 3.74Å; I114-L118 HydrophobicContact CG2-CG 4.13Å; I114-L118 WeakPolarHBondContact O-CB 3.29Å; I114-L118 WeakPolarHBondContact O-CG 3.32Å; I114-L118 PolarHBondContact O-N 3.26Å |
| 115 | L | 86.7 | Confident | 78.6 | Confident | 90 Ų | 90 | 104.9 Ų | 104.9 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63 | -39 | 178.9 | -171.9 | 68.4 | 0 | 0 | 0 | 111.9 | Y111 R112 K113 S119 | Y111-L115 VanDerWaalsContact O-CB 3.31Å; Y111-L115 WeakPolarHBondContact O-CB 3.49Å; Y111-L115 PolarHBondContact O-N 2.84Å; R112-L115 PolarHBondContact O-N 3.49Å; K113-L115 PolarHBondContact O-N 3.04Å; L115-S119 WeakPolarHBondContact O-CB 3.36Å; L115-S119 PolarHBondContact O-N 2.95Å; L115-S119 PolarHBondContact O-OG 3.33Å |
| 116 | N | 87.4 | Confident | 76.1 | Confident | 115 Ų | 115 | 109 Ų | 109 | 62% | 0.615 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.4 | -47.4 | 176.4 | -163.9 | 66.3 | 0 | 0 | 0 | 110.7 | R112 K113 I114 L118 S119 S120 | R112-N116 WeakPolarHBondContact O-CB 3.2Å; R112-N116 PolarHBondContact O-N 2.94Å; K113-N116 PolarHBondContact O-N 3.08Å; I114-N116 VanDerWaalsContact C-N 3.3Å; I114-N116 PolarHBondContact O-N 3.38Å; N116-L118 PolarHBondContact O-N 3.02Å; N116-S119 WeakPolarHBondContact O-CB 3.44Å; N116-S119 PolarHBondContact O-N 2.95Å; N116-S119 VanDerWaalsContact O-N 3.12Å; N116-S120 PolarHBondContact O-N 3.42Å; N116-S120 PolarHBondContact O-OG 3.04Å |
| 117 | E | 89.4 | Confident | 73.5 | Confident | 86 Ų | 86 | 117.3 Ų | 117.3 | 40% | 0.402 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -54.9 | -50.9 | 175.6 | -75 | 169.9 | -173 | 0 | 0 | 110.9 | K113 I114 S119 S120 D121 | K113-E117 WeakPolarHBondContact CE-OE1 3.38Å; K113-E117 WeakPolarHBondContact CG-OE1 3.44Å; K113-E117 IonicContact NZ-OE1 2.65Å; K113-E117 WeakPolarHBondContact O-CB 3.48Å; K113-E117 VanDerWaalsContact O-CG 3.27Å; K113-E117 WeakPolarHBondContact O-CG 3.37Å; K113-E117 PolarHBondContact O-N 3.06Å; I114-E117 PolarHBondContact O-N 2.85Å; E117-S119 VanDerWaalsContact C-N 3.31Å; E117-S119 PolarHBondContact O-N 3.37Å; E117-S120 WeakPolarHBondContact CA-OG 3.46Å; E117-S120 CarbonylContact O-C 3.52Å; E117-S120 PolarHBondContact O-N 3.24Å; E117-S120 PolarHBondContact O-OG 3.28Å; E117-D121 WeakPolarHBondContact O-CB 3.48Å; E117-D121 PolarHBondContact O-N 2.93Å |
| 118 | L | 84.3 | Confident | 70.9 | Confident | 121 Ų | 121 | 115 Ų | 115 | 63% | 0.634 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.4 | -31.9 | 177 | -67.7 | 173.8 | 0 | 0 | 0 | 113.5 | I114 N116 S120 | I114-L118 HydrophobicContact CG2-CD1 3.74Å; I114-L118 HydrophobicContact CG2-CG 4.13Å; I114-L118 WeakPolarHBondContact O-CB 3.29Å; I114-L118 WeakPolarHBondContact O-CG 3.32Å; I114-L118 PolarHBondContact O-N 3.26Å; N116-L118 PolarHBondContact O-N 3.02Å; L118-S120 VanDerWaalsContact C-N 3.29Å |
| 119 | S | 75.7 | Confident | 68 | Low | 88 Ų | 88 | 117.4 Ų | 117.4 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72 | -27.8 | 174.8 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | L115 N116 E117 | L115-S119 WeakPolarHBondContact O-CB 3.36Å; L115-S119 PolarHBondContact O-N 2.95Å; L115-S119 PolarHBondContact O-OG 3.33Å; N116-S119 WeakPolarHBondContact O-CB 3.44Å; N116-S119 PolarHBondContact O-N 2.95Å; N116-S119 VanDerWaalsContact O-N 3.12Å; E117-S119 VanDerWaalsContact C-N 3.31Å; E117-S119 PolarHBondContact O-N 3.37Å |
| 120 | S | 63.1 | Low | 65.4 | Low | 87 Ų | 87 | 120.6 Ų | 120.6 | 61% | 0.608 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -92.1 | -15.5 | 178.1 | 45.8 | 0 | 0 | 0 | 0 | 114.7 | N116 E117 L118 | N116-S120 PolarHBondContact O-N 3.42Å; N116-S120 PolarHBondContact O-OG 3.04Å; E117-S120 WeakPolarHBondContact CA-OG 3.46Å; E117-S120 CarbonylContact O-C 3.52Å; E117-S120 PolarHBondContact O-N 3.24Å; E117-S120 PolarHBondContact O-OG 3.28Å; L118-S120 VanDerWaalsContact C-N 3.29Å |
| 121 | D | 55.1 | Low | 62.4 | Low | 107 Ų | 107 | 125.5 Ų | 125.5 | 57% | 0.572 | 65% | 0.649 | S | S | * | * | trans | -112.7 | 27.3 | -167.7 | -152 | 18.5 | 0 | 0 | 0 | 114.1 | E117 S123 | E117-D121 WeakPolarHBondContact O-CB 3.48Å; E117-D121 PolarHBondContact O-N 2.93Å; D121-S123 PolarHBondContact O-N 3.17Å | ||
| 122 | S | 50.7 | Low | 59.5 | Low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 7 | 176.7 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 123 | S | 49.8 | Very low | 57.6 | Low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | -4.4 | -171.9 | -167.4 | 0 | 0 | 0 | 0 | 116.1 | D121 | D121-S123 PolarHBondContact O-N 3.17Š|
| 124 | S | 43.5 | Very low | 54.7 | Low | 77 Ų | 77 | 129.8 Ų | 129.8 | 54% | 0.538 | 69% | 0.688 | S | S | . | * | trans | -143.8 | 81.1 | -174.2 | 45.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 125 | I | 42 | Very low | 51.7 | Low | 169 Ų | 169 | 133.2 Ų | 133.2 | 87% | 0.867 | 71% | 0.708 | S | S | * | * | trans | -115.5 | 97.6 | 154.9 | -55.4 | 179.6 | 0 | 0 | 0 | 108.3 | ||||
| 126 | P | 40 | Very low | 49.2 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | -80.5 | 132.3 | 161.2 | -11.6 | 29.2 | 0 | 0 | 0 | 111.3 | ||||
| 127 | R | 34.6 | Very low | 46.9 | Very low | 220 Ų | 220 | 138.7 Ų | 138.7 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | trans | -60.4 | 142.7 | 172.2 | -97.2 | 175.8 | 149.9 | 159.3 | -7.3 | 114.1 | ||||
| 128 | I | 36.7 | Very low | 44.8 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | trans | 63.5 | 133.2 | 133.2 | -54 | 167.6 | 0 | 0 | 0 | 115.2 | ||||
| 129 | E | 33.2 | Very low | 42 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | -173.7 | 157 | 73.2 | -151.6 | 147.2 | -146.9 | 0 | 0 | 113.6 | |||||
| 130 | E | 36.5 | Very low | 39.7 | Very low | 179 Ų | 179 | 140.6 Ų | 140.6 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -105.3 | 171.6 | -175.1 | -167.3 | -178 | 172.6 | 0 | 0 | 110.5 | ||||
| 131 | E | 29.7 | Very low | 38.1 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 94.7 | 146.9 | 172.8 | -66.4 | -154.4 | 123.6 | 0 | 0 | 117.7 | ||||
| 132 | K | 32.5 | Very low | 37.1 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | cis | -166.8 | 169.2 | -20.9 | -117.8 | -179.7 | 94.7 | 167.1 | 0 | 107.1 | ||||
| 133 | P | 54.2 | Low | 36.5 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | trans | -105.9 | 159.7 | -166.5 | 40.4 | -33.4 | 0 | 0 | 0 | 114.8 | ||||
| 134 | E | 31.1 | Very low | 35.6 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -165.5 | 110.8 | 158.5 | 40 | -155.8 | 151 | 0 | 0 | 107.9 | ||||
| 135 | D | 30.4 | Very low | 35.5 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | 77.6 | 117.3 | 86.7 | -102.6 | -19 | 0 | 0 | 0 | 113.7 | |||||
| 136 | E | 34 | Very low | 35.4 | Very low | 190 Ų | 190 | 144.7 Ų | 144.7 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | 160.6 | 123.3 | 127.2 | -85.5 | -163.6 | 162 | 0 | 0 | 111.9 | |||||
| 137 | V | 38.4 | Very low | 35.8 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | -95.9 | 155.8 | 164.6 | -151.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 138 | P | 45.2 | Very low | 36.3 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | -155.3 | 168.9 | 89.5 | 35.9 | -15.4 | 0 | 0 | 0 | 116.7 | |||||
| 139 | S | 26.1 | Very low | 37.3 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 81.5 | 141.9 | 148.8 | -152.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 140 | S | 27.4 | Very low | 38.7 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | cis | 170.1 | 127.6 | -13.4 | 170.7 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 141 | S | 29.7 | Very low | 40.2 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | 169.6 | 142.8 | 141.8 | 47.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 142 | V | 33 | Very low | 42.1 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 83% | 0.83 | 72% | 0.723 | S | S | * | * | trans | -99.3 | 173.4 | -164.3 | -140.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 143 | P | 38.8 | Very low | 43.9 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | -108.1 | 136.7 | -107.9 | 35.9 | -18.2 | 0 | 0 | 0 | 113.6 | |||||
| 144 | A | 31.2 | Very low | 44.6 | Very low | 78 Ų | 78 | 120 Ų | 120 | 65% | 0.645 | 69% | 0.693 | S | S | * | * | trans | -89.3 | 125.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q146 | A144-Q146 VanDerWaalsContact C-N 3.27Å; A144-Q146 HydrophobicContact CB-CG 4.45Å; A144-Q146 PolarHBondContact O-N 2.86Å | ||
| 145 | V | 41.2 | Very low | 45.5 | Very low | 151 Ų | 151 | 117.9 Ų | 117.9 | 92% | 0.915 | 70% | 0.699 | S | S | * | * | trans | -65.3 | 90 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 146 | Q | 40.3 | Very low | 47.3 | Very low | 156 Ų | 156 | 114 Ų | 114 | 73% | 0.729 | 69% | 0.685 | S | S | * | * | trans | -100.3 | 125.2 | 172.6 | -72.2 | -177.5 | -6.9 | 0 | 0 | 108.4 | A144 | A144-Q146 VanDerWaalsContact C-N 3.27Å; A144-Q146 HydrophobicContact CB-CG 4.45Å; A144-Q146 PolarHBondContact O-N 2.86Å | ||
| 147 | V | 48.6 | Very low | 48.8 | Very low | 110 Ų | 110 | 106 Ų | 106 | 67% | 0.667 | 65% | 0.653 | S | S | * | * | trans | -53.6 | 131.5 | 166.1 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | T149 | V147-T149 PolarHBondContact O-N 2.99Š| ||
| 148 | P | 44.5 | Very low | 50.5 | Low | 116 Ų | 116 | 103.1 Ų | 103.1 | 75% | 0.753 | 63% | 0.631 | S | S | * | * | trans | -60.7 | 112.2 | -172.6 | 21.2 | -31.4 | 0 | 0 | 0 | 110.6 | S150 | P148-S150 PolarHBondContact O-N 3.14Š| ||
| 149 | T | 58.1 | Low | 51.6 | Low | 69 Ų | 69 | 102.5 Ų | 102.5 | 42% | 0.423 | 61% | 0.614 | S | S | . | * | trans | -62.1 | 121.9 | 163.9 | 44.5 | 0 | 0 | 0 | 0 | 107.3 | V147 I151 | V147-T149 PolarHBondContact O-N 2.99Å; T149-I151 PolarHBondContact O-N 2.84Å; T149-I151 VanDerWaalsContact O-N 3.15Å | ||
| 150 | S | 61.5 | Low | 53.9 | Low | 62 Ų | 62 | 99 Ų | 99 | 43% | 0.434 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.8 | 113.6 | 176.9 | -63.1 | 0 | 0 | 0 | 0 | 108.5 | P148 Y152 | P148-S150 PolarHBondContact O-N 3.14Å; S150-Y152 WeakPolarHBondContact CB-OH 3.36Å |
| 151 | I | 69.3 | Low | 55.9 | Low | 107 Ų | 107 | 95.2 Ų | 95.2 | 55% | 0.549 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.3 | 177.8 | -59.4 | 172 | 0 | 0 | 0 | 107.6 | T149 Y159 I160 A161 | T149-I151 PolarHBondContact O-N 2.84Å; T149-I151 VanDerWaalsContact O-N 3.15Å; I151-Y159 HydrophobicContact CG2-CD1 4.08Å; I151-I160 CarbonylContact C-O 3.6Å; I151-I160 WeakPolarHBondContact CA-O 3.42Å; I151-A161 HydrophobicContact CG1-CB 4.37Å |
| 152 | Y | 68.6 | Low | 57.9 | Low | 135 Ų | 135 | 93.2 Ų | 93.2 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.1 | 178.3 | -56.9 | -85 | 0 | 0 | 0 | 109.3 | S150 I160 I162 | S150-Y152 WeakPolarHBondContact CB-OH 3.36Å; Y152-I160 PolarHBondContact N-O 3.03Å; Y152-I160 PolarHBondContact O-N 3.39Å; Y152-I162 HydrophobicContact CE2-CD1 4.18Å |
| 153 | Q | 69.8 | Low | 59.5 | Low | 122 Ų | 122 | 88.7 Ų | 88.7 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.3 | 174.8 | -163.9 | 177 | 22.1 | 0 | 0 | 109.6 | Q158 Y159 | Q153-Q158 WeakPolarHBondContact CA-O 3.43Å; Q153-Y159 HydrophobicContact CB-CD1 4.38Å; Q153-Y159 HydrophobicContact CB-CE1 4.34Å; Q153-Y159 HydrophobicContact CG-CD1 4.2Å; Q153-Y159 HydrophobicContact CG-CE1 3.93Å; Q153-Y159 PolarHBondContact NE2-OH 3.47Å; Q153-Y159 VanDerWaalsContact NE2-OH 3.11Å |
| 154 | T | 68.9 | Low | 60.1 | Low | 43 Ų | 43 | 92.4 Ų | 92.4 | 26% | 0.264 | 52% | 0.52 | S | S | . | . | trans | -80 | 160.2 | 172.6 | 66.9 | 0 | 0 | 0 | 0 | 110.2 | S156 G157 Q158 I160 | T154-S156 PolarHBondContact O-N 3.42Å; T154-S156 PolarHBondContact OG1-N 2.9Å; T154-S156 PolarHBondContact OG1-OG 3.26Å; T154-G157 PolarHBondContact O-N 3.38Å; T154-Q158 HydrophobicContact CG2-CB 4.49Å; T154-Q158 PolarHBondContact N-O 2.98Å; T154-Q158 WeakPolarHBondContact OG1-CB 3.5Å; T154-Q158 PolarHBondContact OG1-N 3.19Å; T154-I160 HydrophobicContact CG2-CD1 3.78Å; T154-I160 HydrophobicContact CG2-CG1 4.46Å | ||
| 155 | S | 51 | Low | 61.3 | Low | 142 Ų | 142 | 92 Ų | 92 | 99% | 0.993 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.4 | 174.3 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 156 | S | 68.5 | Low | 62.2 | Low | 81 Ų | 81 | 86.2 Ų | 86.2 | 57% | 0.566 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 6.1 | 173.9 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | T154 | T154-S156 PolarHBondContact O-N 3.42Å; T154-S156 PolarHBondContact OG1-N 2.9Å; T154-S156 PolarHBondContact OG1-OG 3.26Å |
| 157 | G | 65.1 | Low | 62.9 | Low | 20 Ų | 20 | 79.4 Ų | 79.4 | 21% | 0.206 | 47% | 0.465 | C | S | . | . | S | Bend | trans | 81.9 | 6.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | T154 P173 | T154-G157 PolarHBondContact O-N 3.38Å; G157-P173 VanDerWaalsContact O-CD 3.29Å; G157-P173 WeakPolarHBondContact O-CD 3.33Å; G157-P173 VanDerWaalsContact O-CG 3.32Å; G157-P173 WeakPolarHBondContact O-CG 3.31Å |
| 158 | Q | 74.6 | Confident | 63.6 | Low | 71 Ų | 71 | 77 Ų | 77 | 33% | 0.332 | 45% | 0.448 | S | S | . | . | trans | -79.3 | 142.2 | 176.3 | -60.6 | 174.4 | 11.8 | 0 | 0 | 110.6 | Q153 T154 | Q153-Q158 WeakPolarHBondContact CA-O 3.43Å; T154-Q158 HydrophobicContact CG2-CB 4.49Å; T154-Q158 PolarHBondContact N-O 2.98Å; T154-Q158 WeakPolarHBondContact OG1-CB 3.5Å; T154-Q158 PolarHBondContact OG1-N 3.19Å | ||
| 159 | Y | 67.6 | Low | 64.5 | Low | 104 Ų | 104 | 74.7 Ų | 74.7 | 41% | 0.408 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125.9 | 177.1 | -64 | -82 | 0 | 0 | 0 | 110.4 | I151 Q153 T171 | I151-Y159 HydrophobicContact CG2-CD1 4.08Å; Q153-Y159 HydrophobicContact CB-CD1 4.38Å; Q153-Y159 HydrophobicContact CB-CE1 4.34Å; Q153-Y159 HydrophobicContact CG-CD1 4.2Å; Q153-Y159 HydrophobicContact CG-CE1 3.93Å; Q153-Y159 PolarHBondContact NE2-OH 3.47Å; Q153-Y159 VanDerWaalsContact NE2-OH 3.11Å; Y159-T171 PolarHBondContact N-O 3.41Å; Y159-T171 PolarHBondContact O-N 3.43Å |
| 160 | I | 74.6 | Confident | 65.1 | Low | 43 Ų | 43 | 73 Ų | 73 | 22% | 0.221 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 120.8 | 177.7 | -55.8 | 171.3 | 0 | 0 | 0 | 108.2 | I151 Y152 T154 I168 Q169 | I151-I160 CarbonylContact C-O 3.6Å; I151-I160 WeakPolarHBondContact CA-O 3.42Å; Y152-I160 PolarHBondContact N-O 3.03Å; Y152-I160 PolarHBondContact O-N 3.39Å; T154-I160 HydrophobicContact CG2-CD1 3.78Å; T154-I160 HydrophobicContact CG2-CG1 4.46Å; I160-I168 HydrophobicContact CG2-CG2 3.82Å; I160-Q169 WeakPolarHBondContact CA-O 3.38Å |
| 161 | A | 69.8 | Low | 65.1 | Low | 22 Ų | 22 | 73 Ų | 73 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | I151 Q169 | I151-A161 HydrophobicContact CG1-CB 4.37Å; A161-Q169 PolarHBondContact N-O 2.97Å; A161-Q169 PolarHBondContact O-N 3.47Å |
| 162 | I | 71.1 | Confident | 64.7 | Low | 76 Ų | 76 | 71.3 Ų | 71.3 | 39% | 0.39 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.3 | 176.2 | -53.5 | 175 | 0 | 0 | 0 | 108.4 | Y152 | Y152-I162 HydrophobicContact CE2-CD1 4.18Å |
| 163 | T | 66.5 | Low | 63.6 | Low | 41 Ų | 41 | 69.3 Ų | 69.3 | 25% | 0.252 | 41% | 0.413 | S | S | . | . | trans | -82.9 | 160.5 | 178.4 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | G165 G166 A167 | T163-G165 PolarHBondContact O-N 2.91Å; T163-G166 PolarHBondContact O-N 3.09Å; T163-A167 PolarHBondContact N-O 3.21Å; T163-A167 WeakPolarHBondContact OG1-CB 3.26Å; T163-A167 PolarHBondContact OG1-N 3.46Å; T163-A167 PolarHBondContact OG1-O 3.13Å; T163-A167 VanDerWaalsContact OG1-O 3.11Å | ||
| 164 | Q | 52 | Low | 62.5 | Low | 191 Ų | 191 | 66.6 Ų | 66.6 | 89% | 0.893 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.4 | 179.4 | -166.9 | 177.5 | 50.7 | 0 | 0 | 113.5 | G166 | Q164-G166 VanDerWaalsContact C-N 3.31Š|
| 165 | G | 56.5 | Low | 61.3 | Low | 69 Ų | 69 | 69.6 Ų | 69.6 | 71% | 0.711 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 9.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | T163 A167 | T163-G165 PolarHBondContact O-N 2.91Å; G165-A167 PolarHBondContact O-N 3.34Å |
| 166 | G | 59.2 | Low | 61 | Low | 30 Ų | 30 | 73.1 Ų | 73.1 | 31% | 0.309 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 73.3 | 8.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T163 Q164 | T163-G166 PolarHBondContact O-N 3.09Å; Q164-G166 VanDerWaalsContact C-N 3.31Å |
| 167 | A | 55.3 | Low | 59.5 | Low | 14 Ų | 14 | 71.6 Ų | 71.6 | 12% | 0.116 | 44% | 0.439 | C | S | . | . | trans | -78.2 | 132.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T163 G165 T183 L184 | T163-A167 PolarHBondContact N-O 3.21Å; T163-A167 WeakPolarHBondContact OG1-CB 3.26Å; T163-A167 PolarHBondContact OG1-N 3.46Å; T163-A167 PolarHBondContact OG1-O 3.13Å; T163-A167 VanDerWaalsContact OG1-O 3.11Å; G165-A167 PolarHBondContact O-N 3.34Å; A167-T183 HydrophobicContact CB-CG2 4.5Å; A167-L184 CarbonylContact C-O 3.53Å; A167-L184 WeakPolarHBondContact CA-O 3.35Å; A167-L184 WeakPolarHBondContact CB-O 3.46Å | ||
| 168 | I | 63.2 | Low | 58.5 | Low | 60 Ų | 60 | 78.7 Ų | 78.7 | 31% | 0.308 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.8 | -179.5 | -54.4 | 175.6 | 0 | 0 | 0 | 107.8 | I160 I170 L184 | I160-I168 HydrophobicContact CG2-CG2 3.82Å; I168-I170 HydrophobicContact CG2-CG1 4.15Å; I168-L184 PolarHBondContact N-O 2.94Å; I168-L184 PolarHBondContact O-N 3.16Å |
| 169 | Q | 63.5 | Low | 57.2 | Low | 67 Ų | 67 | 84.6 Ų | 84.6 | 31% | 0.313 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.3 | 173.2 | -64.1 | 180 | 36.1 | 0 | 0 | 108.8 | I160 A161 T183 | I160-Q169 WeakPolarHBondContact CA-O 3.38Å; A161-Q169 PolarHBondContact N-O 2.97Å; A161-Q169 PolarHBondContact O-N 3.47Å; Q169-T183 HydrophobicContact CG-CG2 4.28Å |
| 170 | I | 70.4 | Confident | 56.1 | Low | 34 Ų | 34 | 82 Ų | 82 | 17% | 0.174 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.4 | 177.1 | -53.3 | 175.2 | 0 | 0 | 0 | 107.9 | I168 Q182 | I168-I170 HydrophobicContact CG2-CG1 4.15Å; I170-Q182 PolarHBondContact N-O 3.44Å |
| 171 | T | 61.8 | Low | 54.7 | Low | 62 Ų | 62 | 84.3 Ų | 84.3 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.5 | 177.6 | -54.7 | 0 | 0 | 0 | 0 | 109.1 | Y159 | Y159-T171 PolarHBondContact N-O 3.41Å; Y159-T171 PolarHBondContact O-N 3.43Å |
| 172 | S | 61.8 | Low | 53.9 | Low | 71 Ų | 71 | 88.2 Ų | 88.2 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | trans | -97.6 | 135.6 | 175.8 | -63.6 | 0 | 0 | 0 | 0 | 110.6 | G174 | S172-G174 PolarHBondContact O-N 3.48Š| ||
| 173 | P | 44.6 | Very low | 52.5 | Low | 92 Ų | 92 | 88.7 Ų | 88.7 | 60% | 0.597 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -80.5 | 110.7 | 172.6 | 31 | -30.6 | 0 | 0 | 0 | 109.7 | G157 | G157-P173 VanDerWaalsContact O-CD 3.29Å; G157-P173 WeakPolarHBondContact O-CD 3.33Å; G157-P173 VanDerWaalsContact O-CG 3.32Å; G157-P173 WeakPolarHBondContact O-CG 3.31Å |
| 174 | G | 47.1 | Very low | 51.8 | Low | 66 Ų | 66 | 89.1 Ų | 89.1 | 68% | 0.68 | 54% | 0.541 | S | S | * | . | trans | 135.7 | 83.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S172 | S172-G174 PolarHBondContact O-N 3.48Š| ||
| 175 | S | 42.5 | Very low | 51.3 | Low | 105 Ų | 105 | 83.6 Ų | 83.6 | 73% | 0.734 | 53% | 0.528 | S | S | * | . | 168.5 | 121.6 | 129.5 | 42.7 | 0 | 0 | 0 | 0 | 108.8 | G177 | S175-G177 VanDerWaalsContact C-N 3.27Å; S175-G177 PolarHBondContact O-N 2.86Å | |||
| 176 | E | 45.4 | Very low | 50.6 | Low | 216 Ų | 216 | 87.3 Ų | 87.3 | 100% | 1.009 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -62.1 | 93.4 | 161.3 | -75.5 | 177 | 130.2 | 0 | 0 | 108 | ||
| 177 | G | 37.5 | Very low | 49.6 | Very low | 49 Ų | 49 | 90.4 Ų | 90.4 | 51% | 0.505 | 55% | 0.545 | S | S | . | . | S | Bend | trans | 177.3 | 131.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | S175 Q179 | S175-G177 VanDerWaalsContact C-N 3.27Å; S175-G177 PolarHBondContact O-N 2.86Å; G177-Q179 PolarHBondContact O-N 3.22Å |
| 178 | L | 43.8 | Very low | 48.8 | Very low | 170 Ų | 170 | 98.1 Ų | 98.1 | 89% | 0.89 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -34.5 | 129.7 | -179.7 | -89.2 | 63.7 | 0 | 0 | 0 | 113.9 | ||
| 179 | Q | 47.4 | Very low | 47.5 | Very low | 195 Ų | 195 | 98.4 Ų | 98.4 | 91% | 0.911 | 59% | 0.592 | S | S | * | * | trans | 88.4 | 112.9 | 172.5 | -53.6 | -174 | 41 | 0 | 0 | 116.7 | G177 | G177-Q179 PolarHBondContact O-N 3.22Š| ||
| 180 | G | 45.2 | Very low | 46.6 | Very low | 49 Ų | 49 | 99.6 Ų | 99.6 | 51% | 0.505 | 62% | 0.623 | S | S | . | * | trans | -166.2 | 6.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 181 | V | 44 | Very low | 45.1 | Very low | 92 Ų | 92 | 102.1 Ų | 102.1 | 56% | 0.558 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.3 | 96.2 | 172.7 | -176.8 | 0 | 0 | 0 | 0 | 108 | T183 | V181-T183 PolarHBondContact O-N 3.35Å |
| 182 | Q | 54.2 | Low | 44 | Very low | 104 Ų | 104 | 104 Ų | 104 | 49% | 0.486 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.5 | 108.2 | 171.6 | -73.6 | -177.4 | 74.3 | 0 | 0 | 108.6 | I170 L184 | I170-Q182 PolarHBondContact N-O 3.44Å; Q182-L184 HydrophobicContact CB-CD1 4.29Å |
| 183 | T | 40.5 | Very low | 42.9 | Very low | 86 Ų | 86 | 108 Ų | 108 | 53% | 0.528 | 66% | 0.664 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 107.3 | 175.1 | -57.6 | 0 | 0 | 0 | 0 | 108.8 | A167 Q169 V181 | A167-T183 HydrophobicContact CB-CG2 4.5Å; Q169-T183 HydrophobicContact CG-CG2 4.28Å; V181-T183 PolarHBondContact O-N 3.35Å |
| 184 | L | 51.6 | Low | 42.8 | Very low | 50 Ų | 50 | 109.9 Ų | 109.9 | 26% | 0.262 | 67% | 0.668 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 111.6 | 173.7 | -79.4 | 80.6 | 0 | 0 | 0 | 109.5 | A167 I168 Q182 L195 | A167-L184 CarbonylContact C-O 3.53Å; A167-L184 WeakPolarHBondContact CA-O 3.35Å; A167-L184 WeakPolarHBondContact CB-O 3.46Å; I168-L184 PolarHBondContact N-O 2.94Å; I168-L184 PolarHBondContact O-N 3.16Å; Q182-L184 HydrophobicContact CB-CD1 4.29Å; L184-L195 HydrophobicContact CD2-CD1 3.74Å; L184-L195 HydrophobicContact CD2-CD2 3.99Å |
| 185 | A | 42.7 | Very low | 42.6 | Very low | 75 Ų | 75 | 109.6 Ų | 109.6 | 62% | 0.62 | 65% | 0.65 | S | S | * | * | trans | -91 | 118.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.2 | S187 | A185-S187 PolarHBondContact O-N 2.88Å; A185-S187 VanDerWaalsContact O-N 3.11Å | ||
| 186 | M | 40.2 | Very low | 42.4 | Very low | 147 Ų | 147 | 111.3 Ų | 111.3 | 72% | 0.724 | 65% | 0.647 | S | S | * | * | trans | -75 | 100.2 | 175.9 | -61.4 | -155.6 | 78.2 | 0 | 0 | 110.1 | ||||
| 187 | S | 38.1 | Very low | 42 | Very low | 94 Ų | 94 | 104.7 Ų | 104.7 | 66% | 0.657 | 61% | 0.613 | S | S | * | * | trans | -91.7 | 120.1 | 172.6 | -64.7 | 0 | 0 | 0 | 0 | 110 | A185 S189 | A185-S187 PolarHBondContact O-N 2.88Å; A185-S187 VanDerWaalsContact O-N 3.11Å; S187-S189 PolarHBondContact O-N 3.11Å | ||
| 188 | N | 39.7 | Very low | 41.8 | Very low | 176 Ų | 176 | 106.5 Ų | 106.5 | 94% | 0.941 | 62% | 0.623 | S | S | * | * | trans | -78.1 | 49.9 | -179.4 | -164.4 | 32.1 | 0 | 0 | 0 | 112.4 | ||||
| 189 | S | 36.5 | Very low | 41.5 | Very low | 66 Ų | 66 | 103.3 Ų | 103.3 | 46% | 0.462 | 61% | 0.611 | S | S | . | * | trans | -104 | 124.1 | 170.7 | 61.1 | 0 | 0 | 0 | 0 | 108.5 | S187 T191 | S187-S189 PolarHBondContact O-N 3.11Å; S189-T191 PolarHBondContact O-N 3.18Å | ||
| 190 | G | 43.2 | Very low | 40.9 | Very low | 93 Ų | 93 | 103.3 Ų | 103.3 | 96% | 0.959 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -65.2 | 41.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 191 | T | 38.5 | Very low | 40.6 | Very low | 86 Ų | 86 | 105.7 Ų | 105.7 | 53% | 0.528 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -110.1 | 132.2 | 172.8 | 53.1 | 0 | 0 | 0 | 0 | 109.4 | S189 Q193 | S189-T191 PolarHBondContact O-N 3.18Å; T191-Q193 PolarHBondContact O-N 3.15Å |
| 192 | P | 38.9 | Very low | 40.3 | Very low | 103 Ų | 103 | 105.1 Ų | 105.1 | 67% | 0.669 | 64% | 0.639 | S | S | * | * | trans | -65.6 | 122 | 178 | 27.5 | -32.7 | 0 | 0 | 0 | 109.9 | ||||
| 193 | Q | 39.5 | Very low | 39.3 | Very low | 154 Ų | 154 | 107.1 Ų | 107.1 | 72% | 0.72 | 65% | 0.653 | S | S | * | * | trans | -107.6 | 131.8 | 169.3 | -63.5 | -142.1 | 11.4 | 0 | 0 | 109.9 | T191 | T191-Q193 PolarHBondContact O-N 3.15Š| ||
| 194 | I | 41.9 | Very low | 39.2 | Very low | 131 Ų | 131 | 108.6 Ų | 108.6 | 67% | 0.672 | 67% | 0.666 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.8 | 125.6 | -178.1 | -63.1 | 169.7 | 0 | 0 | 0 | 107.5 | F208 | I194-F208 HydrophobicContact CG2-CD1 4.5Å |
| 195 | L | 42.7 | Very low | 38.6 | Very low | 61 Ų | 61 | 107.9 Ų | 107.9 | 32% | 0.319 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 110.9 | 175.9 | -161.9 | 64.5 | 0 | 0 | 0 | 109.2 | L184 Y197 | L184-L195 HydrophobicContact CD2-CD1 3.74Å; L184-L195 HydrophobicContact CD2-CD2 3.99Å; L195-Y197 HydrophobicContact CD2-CD2 4.32Å; L195-Y197 HydrophobicContact CD2-CE2 3.49Å; L195-Y197 VanDerWaalsContact CD2-CE2 3.49Å; L195-Y197 HydrophobicContact CG-CD2 4.21Å; L195-Y197 HydrophobicContact CG-CE2 3.76Å |
| 196 | Q | 38.4 | Very low | 38.8 | Very low | 141 Ų | 141 | 108.4 Ų | 108.4 | 66% | 0.659 | 66% | 0.661 | S | S | * | * | trans | -100.5 | 105.9 | -179.6 | -171.1 | 163.7 | 28 | 0 | 0 | 110.2 | ||||
| 197 | Y | 37.1 | Very low | 38.8 | Very low | 77 Ų | 77 | 105.4 Ų | 105.4 | 30% | 0.302 | 65% | 0.645 | S | S | . | * | trans | -93 | 121.4 | 168 | -79.6 | -83.7 | 0 | 0 | 0 | 109.3 | L195 Q206 | L195-Y197 HydrophobicContact CD2-CD2 4.32Å; L195-Y197 HydrophobicContact CD2-CE2 3.49Å; L195-Y197 VanDerWaalsContact CD2-CE2 3.49Å; L195-Y197 HydrophobicContact CG-CD2 4.21Å; L195-Y197 HydrophobicContact CG-CE2 3.76Å; Y197-Q206 PolarHBondContact O-OE1 3.43Å | ||
| 198 | A | 34.4 | Very low | 39.2 | Very low | 87 Ų | 87 | 104.3 Ų | 104.3 | 72% | 0.719 | 63% | 0.628 | S | S | * | * | trans | -93.4 | 112.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 199 | T | 36.6 | Very low | 39.6 | Very low | 102 Ų | 102 | 99.2 Ų | 99.2 | 63% | 0.626 | 60% | 0.598 | S | S | * | * | trans | -80.7 | 128.3 | 167.5 | 63.2 | 0 | 0 | 0 | 0 | 107.8 | A201 | T199-A201 PolarHBondContact O-N 2.92Š| ||
| 200 | Q | 34.6 | Very low | 39.9 | Very low | 196 Ų | 196 | 98.4 Ų | 98.4 | 92% | 0.916 | 59% | 0.592 | S | S | * | * | trans | -72.7 | 118.4 | -179.8 | -161.1 | 168.7 | 45.2 | 0 | 0 | 109.3 | ||||
| 201 | A | 38.7 | Very low | 40 | Very low | 99 Ų | 99 | 98 Ų | 98 | 82% | 0.818 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 39.9 | 102.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | T199 | T199-A201 PolarHBondContact O-N 2.92Š|
| 202 | G | 37.9 | Very low | 40.2 | Very low | 80 Ų | 80 | 100.7 Ų | 100.7 | 83% | 0.825 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 146.7 | 12.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||
| 203 | D | 33.2 | Very low | 40.5 | Very low | 146 Ų | 146 | 100 Ų | 100 | 78% | 0.781 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -167.7 | 143.8 | 150.5 | -146.1 | -13.4 | 0 | 0 | 0 | 110.1 | G205 | D203-G205 PolarHBondContact O-N 2.98Š|
| 204 | S | 39.7 | Very low | 41 | Very low | 116 Ų | 116 | 96 Ų | 96 | 81% | 0.811 | 59% | 0.59 | S | S | * | * | trans | -70.9 | 107.7 | -168.6 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 205 | G | 39.2 | Very low | 41 | Very low | 35 Ų | 35 | 94.3 Ų | 94.3 | 36% | 0.361 | 58% | 0.579 | S | S | . | * | trans | -174.6 | 87.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D203 Q207 | D203-G205 PolarHBondContact O-N 2.98Å; G205-Q207 PolarHBondContact O-N 3.38Å | ||
| 206 | Q | 45.7 | Very low | 41.2 | Very low | 87 Ų | 87 | 96 Ų | 96 | 41% | 0.407 | 59% | 0.591 | S | S | . | * | trans | -70.5 | 119.9 | 166.9 | -63.3 | -81.9 | 55.4 | 0 | 0 | 108.4 | Y197 A221 | Y197-Q206 PolarHBondContact O-OE1 3.43Å; Q206-A221 HydrophobicContact CB-CB 4.32Å; Q206-A221 PolarHBondContact O-N 2.86Å | ||
| 207 | Q | 41.6 | Very low | 41.7 | Very low | 84 Ų | 84 | 92.4 Ų | 92.4 | 39% | 0.393 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.3 | 113.1 | 177.6 | -64 | -69.9 | -0.8 | 0 | 0 | 109.3 | G205 F209 | G205-Q207 PolarHBondContact O-N 3.38Å; Q207-F209 HydrophobicContact CB-CE2 3.86Å; Q207-F209 HydrophobicContact CB-CZ 4.42Å |
| 208 | F | 46.1 | Very low | 42.3 | Very low | 71 Ų | 71 | 93.7 Ų | 93.7 | 31% | 0.311 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.6 | 176.6 | -61.4 | -78.3 | 0 | 0 | 0 | 109.9 | I194 Q219 A221 | I194-F208 HydrophobicContact CG2-CD1 4.5Å; F208-Q219 HydrophobicContact CB-CB 4.16Å; F208-Q219 WeakPolarHBondContact CB-O 3.47Å; F208-Q219 WeakPolarHBondContact CD2-O 3.44Å; F208-Q219 PolarHBondContact N-O 3.29Å; F208-Q219 PolarHBondContact O-N 3.14Å; F208-A221 HydrophobicContact CD2-CB 4.26Å; F208-A221 HydrophobicContact CE2-CB 3.68Å |
| 209 | F | 46.9 | Very low | 42.7 | Very low | 69 Ų | 69 | 94.4 Ų | 94.4 | 30% | 0.303 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.7 | 116.6 | 171.4 | -64.7 | -91.6 | 0 | 0 | 0 | 108.4 | Q207 V216 V217 I218 | Q207-F209 HydrophobicContact CB-CE2 3.86Å; Q207-F209 HydrophobicContact CB-CZ 4.42Å; F209-V216 HydrophobicContact CD1-CG1 3.96Å; F209-V217 WeakPolarHBondContact CA-O 3.41Å; F209-I218 HydrophobicContact CD1-CG1 3.9Å; F209-I218 HydrophobicContact CE1-CB 4.33Å; F209-I218 HydrophobicContact CE1-CD1 3.79Å; F209-I218 HydrophobicContact CE1-CG1 3.59Å; F209-I218 HydrophobicContact CE1-CG2 4.07Å; F209-I218 HydrophobicContact CZ-CG2 4.28Å |
| 210 | S | 43.2 | Very low | 42.9 | Very low | 48 Ų | 48 | 91.3 Ų | 91.3 | 34% | 0.336 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.7 | 170.1 | 55.9 | 0 | 0 | 0 | 0 | 108.9 | V217 | S210-V217 PolarHBondContact N-O 3.47Å; S210-V217 PolarHBondContact O-N 2.99Å |
| 211 | V | 46 | Very low | 43.4 | Very low | 84 Ų | 84 | 85 Ų | 85 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 105.1 | 178.4 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | Q215 V216 | V211-Q215 WeakPolarHBondContact CA-O 3.47Å; V211-V216 HydrophobicContact CG2-CG2 4.3Å |
| 212 | Q | 42.3 | Very low | 43.5 | Very low | 143 Ų | 143 | 85 Ų | 85 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 124.4 | 166.8 | -88.5 | -167.5 | 18.6 | 0 | 0 | 108.9 | G214 Q215 | Q212-G214 VanDerWaalsContact C-N 3.28Å; Q212-G214 PolarHBondContact O-N 3.16Å; Q212-G214 VanDerWaalsContact O-N 3.08Å; Q212-Q215 PolarHBondContact N-O 2.93Å; Q212-Q215 PolarHBondContact O-N 3.38Å |
| 213 | G | 45.2 | Very low | 43.9 | Very low | 89 Ų | 89 | 85.3 Ų | 85.3 | 92% | 0.918 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 38.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 214 | G | 50.3 | Low | 44.5 | Very low | 71 Ų | 71 | 85.9 Ų | 85.9 | 73% | 0.732 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 9.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q212 | Q212-G214 VanDerWaalsContact C-N 3.28Å; Q212-G214 PolarHBondContact O-N 3.16Å; Q212-G214 VanDerWaalsContact O-N 3.08Å |
| 215 | Q | 41.3 | Very low | 44.6 | Very low | 94 Ų | 94 | 86.3 Ų | 86.3 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.8 | 170.4 | -64.9 | -75.8 | -13.8 | 0 | 0 | 109.8 | V211 Q212 | V211-Q215 WeakPolarHBondContact CA-O 3.47Å; Q212-Q215 PolarHBondContact N-O 2.93Å; Q212-Q215 PolarHBondContact O-N 3.38Å |
| 216 | V | 47.1 | Very low | 44.8 | Very low | 97 Ų | 97 | 89.1 Ų | 89.1 | 59% | 0.588 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 112.6 | 172.3 | -180 | 0 | 0 | 0 | 0 | 108.1 | F209 V211 I218 | F209-V216 HydrophobicContact CD1-CG1 3.96Å; V211-V216 HydrophobicContact CG2-CG2 4.3Å; V216-I218 HydrophobicContact CG1-CG1 4.47Å |
| 217 | V | 49.6 | Very low | 44.8 | Very low | 65 Ų | 65 | 88.7 Ų | 88.7 | 39% | 0.394 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 119.9 | 174.9 | -176 | 0 | 0 | 0 | 0 | 108.5 | F209 S210 | F209-V217 WeakPolarHBondContact CA-O 3.41Å; S210-V217 PolarHBondContact N-O 3.47Å; S210-V217 PolarHBondContact O-N 2.99Å |
| 218 | I | 48.1 | Very low | 44.6 | Very low | 104 Ų | 104 | 94 Ų | 94 | 53% | 0.533 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96 | 112.9 | 174.6 | -47.4 | -178 | 0 | 0 | 0 | 107.5 | F209 V216 | F209-I218 HydrophobicContact CD1-CG1 3.9Å; F209-I218 HydrophobicContact CE1-CB 4.33Å; F209-I218 HydrophobicContact CE1-CD1 3.79Å; F209-I218 HydrophobicContact CE1-CG1 3.59Å; F209-I218 HydrophobicContact CE1-CG2 4.07Å; F209-I218 HydrophobicContact CZ-CG2 4.28Å; V216-I218 HydrophobicContact CG1-CG1 4.47Å |
| 219 | Q | 43.1 | Very low | 44.3 | Very low | 102 Ų | 102 | 99 Ų | 99 | 48% | 0.477 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 103.7 | 175.1 | -170.3 | 86.2 | 48.4 | 0 | 0 | 107.8 | F208 | F208-Q219 HydrophobicContact CB-CB 4.16Å; F208-Q219 WeakPolarHBondContact CB-O 3.47Å; F208-Q219 WeakPolarHBondContact CD2-O 3.44Å; F208-Q219 PolarHBondContact N-O 3.29Å; F208-Q219 PolarHBondContact O-N 3.14Å |
| 220 | A | 42.2 | Very low | 43.8 | Very low | 37 Ų | 37 | 103 Ų | 103 | 31% | 0.306 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.4 | 133.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | T222 | A220-T222 PolarHBondContact O-N 3.43Å; A220-T222 VanDerWaalsContact O-N 3.16Å |
| 221 | A | 43.7 | Very low | 43.6 | Very low | 63 Ų | 63 | 109.1 Ų | 109.1 | 52% | 0.521 | 64% | 0.636 | S | S | . | * | trans | -82.2 | 23.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q206 F208 | Q206-A221 HydrophobicContact CB-CB 4.32Å; Q206-A221 PolarHBondContact O-N 2.86Å; F208-A221 HydrophobicContact CD2-CB 4.26Å; F208-A221 HydrophobicContact CE2-CB 3.68Å | ||
| 222 | T | 40.7 | Very low | 43 | Very low | 99 Ų | 99 | 108.6 Ų | 108.6 | 61% | 0.607 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -101.1 | 112.5 | 179.1 | -7.3 | 0 | 0 | 0 | 0 | 108.7 | A220 D224 | A220-T222 PolarHBondContact O-N 3.43Å; A220-T222 VanDerWaalsContact O-N 3.16Å; T222-D224 PolarHBondContact O-N 2.78Å |
| 223 | G | 46.6 | Very low | 42.7 | Very low | 87 Ų | 87 | 107.8 Ų | 107.8 | 90% | 0.897 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 40.6 | -162.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 224 | D | 46.4 | Very low | 42.3 | Very low | 158 Ų | 158 | 108.1 Ų | 108.1 | 85% | 0.845 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.9 | 32.3 | 170.1 | -140.1 | 1.8 | 0 | 0 | 0 | 115.2 | T222 | T222-D224 PolarHBondContact O-N 2.78Š|
| 225 | M | 40.9 | Very low | 42 | Very low | 125 Ų | 125 | 110 Ų | 110 | 62% | 0.616 | 63% | 0.63 | S | S | * | * | trans | -115 | 116 | 178.8 | -90.9 | -102 | 57.9 | 0 | 0 | 111.4 | A227 Y228 | M225-A227 PolarHBondContact O-N 3.41Å; M225-Y228 HydrophobicContact CE-CE2 4.03Å | ||
| 226 | P | 44.7 | Very low | 42.1 | Very low | 95 Ų | 95 | 111.1 Ų | 111.1 | 62% | 0.617 | 65% | 0.648 | S | S | * | * | trans | -63.3 | 128.2 | 172.3 | 25.1 | -33.8 | 0 | 0 | 0 | 109.8 | Y228 | P226-Y228 PolarHBondContact O-N 3.46Å; P226-Y228 VanDerWaalsContact O-N 3.07Å | ||
| 227 | A | 44.1 | Very low | 41.5 | Very low | 77 Ų | 77 | 110.3 Ų | 110.3 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | trans | -57.6 | 111 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | M225 Q229 | M225-A227 PolarHBondContact O-N 3.41Å; A227-Q229 PolarHBondContact O-N 3.26Å | ||
| 228 | Y | 39 | Very low | 40.9 | Very low | 197 Ų | 197 | 114.7 Ų | 114.7 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | trans | -74.7 | 91.5 | 170.9 | -77.6 | -83.8 | 0 | 0 | 0 | 109.1 | M225 P226 L230 | M225-Y228 HydrophobicContact CE-CE2 4.03Å; P226-Y228 PolarHBondContact O-N 3.46Å; P226-Y228 VanDerWaalsContact O-N 3.07Å; Y228-L230 PolarHBondContact O-N 3.39Å | ||
| 229 | Q | 38.6 | Very low | 40.7 | Very low | 176 Ų | 176 | 115 Ų | 115 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | -74.1 | 102.1 | 172.8 | -166.8 | 178 | 82 | 0 | 0 | 109.2 | A227 R231 | A227-Q229 PolarHBondContact O-N 3.26Å; Q229-R231 VanDerWaalsContact C-N 3.32Å; Q229-R231 PolarHBondContact O-N 2.98Å | ||
| 230 | L | 37 | Very low | 40.8 | Very low | 153 Ų | 153 | 118.5 Ų | 118.5 | 80% | 0.801 | 70% | 0.704 | S | S | * | * | trans | -71.4 | 85 | 173.6 | -82.1 | 158.6 | 0 | 0 | 0 | 110.2 | Y228 S232 | Y228-L230 PolarHBondContact O-N 3.39Å; L230-S232 PolarHBondContact O-N 3.13Å; L230-S232 VanDerWaalsContact O-N 3.11Å | ||
| 231 | R | 38.6 | Very low | 40.4 | Very low | 176 Ų | 176 | 120.1 Ų | 120.1 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | trans | -70.9 | 101.5 | 169.5 | -171.5 | 83.1 | -175.5 | 112.8 | 1.9 | 109 | Q229 | Q229-R231 VanDerWaalsContact C-N 3.32Å; Q229-R231 PolarHBondContact O-N 2.98Å | ||
| 232 | S | 33.8 | Very low | 40.3 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 51% | 0.51 | 74% | 0.741 | S | S | . | * | trans | -72.1 | 135.5 | 162.6 | -63.7 | 0 | 0 | 0 | 0 | 109.3 | L230 T234 | L230-S232 PolarHBondContact O-N 3.13Å; L230-S232 VanDerWaalsContact O-N 3.11Å; S232-T234 PolarHBondContact O-N 3.15Å | ||
| 233 | P | 34.9 | Very low | 40.5 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | trans | -74.5 | 93.6 | 174 | 30.5 | -30.4 | 0 | 0 | 0 | 108.2 | S235 | P233-S235 PolarHBondContact O-N 3.3Å; P233-S235 VanDerWaalsContact O-N 3.15Å | ||
| 234 | T | 38.7 | Very low | 40.5 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 59% | 0.589 | 75% | 0.753 | S | S | * | * | trans | -71.5 | 105.3 | 168.3 | 49.8 | 0 | 0 | 0 | 0 | 108.2 | S232 S236 | S232-T234 PolarHBondContact O-N 3.15Å; T234-S236 PolarHBondContact O-N 2.91Å; T234-S236 VanDerWaalsContact O-N 3.13Å | ||
| 235 | S | 42.8 | Very low | 40.2 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -62.1 | 104.1 | 162.9 | 54.1 | 0 | 0 | 0 | 0 | 109.4 | P233 | P233-S235 PolarHBondContact O-N 3.3Å; P233-S235 VanDerWaalsContact O-N 3.15Å | ||
| 236 | S | 43.9 | Very low | 40.2 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 155.5 | 124.7 | 145.2 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | T234 | T234-S236 PolarHBondContact O-N 2.91Å; T234-S236 VanDerWaalsContact O-N 3.13Å |
| 237 | G | 34.5 | Very low | 39.8 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | trans | 94.4 | 87.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 238 | L | 36.9 | Very low | 40 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -64.2 | 144.9 | 148.2 | -89.1 | 151 | 0 | 0 | 0 | 108.4 | ||||
| 239 | P | 42.9 | Very low | 40 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | -139.7 | 167.9 | 80.3 | 31.6 | -11.8 | 0 | 0 | 0 | 116.1 | |||||
| 240 | Q | 45.3 | Very low | 40.4 | Very low | 174 Ų | 174 | 122.4 Ų | 122.4 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -24.8 | 136.3 | 178 | -76.4 | 73.9 | 16.8 | 0 | 0 | 118.4 | ||||
| 241 | G | 34.8 | Very low | 40.6 | Very low | 72 Ų | 72 | 123.3 Ų | 123.3 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -168.4 | 80.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V243 | G241-V243 PolarHBondContact O-N 2.99Š| ||
| 242 | L | 41.2 | Very low | 41.2 | Very low | 163 Ų | 163 | 119.3 Ų | 119.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -69.3 | 112.4 | 172.8 | -165.2 | 86.6 | 0 | 0 | 0 | 109.2 | ||||
| 243 | V | 45.3 | Very low | 41.8 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -134.5 | 106.1 | 156.8 | -76.8 | 0 | 0 | 0 | 0 | 109.7 | G241 | G241-V243 PolarHBondContact O-N 2.99Š| ||
| 244 | M | 46.2 | Very low | 42.5 | Very low | 181 Ų | 181 | 126.6 Ų | 126.6 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | trans | -65.1 | 124.8 | 168.3 | -74.3 | -88.4 | -103.6 | 0 | 0 | 109.5 | ||||
| 245 | A | 39.7 | Very low | 42.8 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -136.9 | 116.9 | 154.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 246 | A | 41.6 | Very low | 43.1 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | -66.5 | 137.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 247 | S | 35.4 | Very low | 43.8 | Very low | 117 Ų | 117 | 124.6 Ų | 124.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | -162.5 | 131.5 | 126.4 | -150.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 248 | P | 49.7 | Very low | 44.7 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -89.5 | 130.7 | -174.7 | 34.9 | -30 | 0 | 0 | 0 | 111.3 | ||||
| 249 | G | 39.2 | Very low | 45.7 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | -162.5 | 31.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L251 | G249-L251 PolarHBondContact O-N 3.07Š| ||
| 250 | S | 45.2 | Very low | 46.8 | Very low | 113 Ų | 113 | 121.4 Ų | 121.4 | 79% | 0.79 | 74% | 0.74 | S | S | * | * | trans | -84.7 | 78.4 | 171 | 175.4 | 0 | 0 | 0 | 0 | 109.7 | S252 | S250-S252 PolarHBondContact O-N 3.45Š| ||
| 251 | L | 42 | Very low | 48.2 | Very low | 173 Ų | 173 | 119.2 Ų | 119.2 | 91% | 0.906 | 73% | 0.73 | S | S | * | * | trans | -92.2 | 85.2 | 158.4 | -67.1 | -176.9 | 0 | 0 | 0 | 108.5 | G249 M253 | G249-L251 PolarHBondContact O-N 3.07Å; L251-M253 PolarHBondContact O-N 3.4Å | ||
| 252 | S | 51.2 | Low | 50.3 | Low | 91 Ų | 91 | 120.7 Ų | 120.7 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -61.1 | 122.7 | 161.8 | 158.2 | 0 | 0 | 0 | 0 | 109.2 | S250 | S250-S252 PolarHBondContact O-N 3.45Š| ||
| 253 | M | 45.8 | Very low | 52.5 | Low | 181 Ų | 181 | 117.3 Ų | 117.3 | 89% | 0.892 | 70% | 0.703 | S | S | * | * | trans | -144.1 | 109.3 | 145.4 | -87 | -54.3 | 150.3 | 0 | 0 | 111.9 | L251 | L251-M253 PolarHBondContact O-N 3.4Š| ||
| 254 | H | 51.3 | Low | 54.7 | Low | 171 Ų | 171 | 114.8 Ų | 114.8 | 79% | 0.792 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 106.2 | 74.8 | 147.2 | -149.5 | 78.5 | 0 | 0 | 0 | 119.7 | ||
| 255 | N | 44.2 | Very low | 57 | Low | 120 Ų | 120 | 114.7 Ų | 114.7 | 64% | 0.642 | 68% | 0.678 | S | S | * | * | -167.4 | 141.3 | 129 | -137.4 | 6.2 | 0 | 0 | 0 | 109.8 | |||||
| 256 | P | 49.3 | Very low | 59.7 | Low | 72 Ų | 72 | 116.7 Ų | 116.7 | 47% | 0.468 | 67% | 0.668 | S | S | . | * | trans | -74 | 148.5 | -177.9 | 31.6 | -30.1 | 0 | 0 | 0 | 110.7 | V258 H259 | P256-V258 HydrophobicContact CB-CG2 4.27Å; P256-V258 PolarHBondContact O-N 2.88Å; P256-H259 PolarHBondContact O-N 2.92Å | ||
| 257 | P | 57.6 | Low | 62.3 | Low | 91 Ų | 91 | 119.4 Ų | 119.4 | 59% | 0.591 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -18.7 | -175.9 | 19.8 | -31 | 0 | 0 | 0 | 114.5 | H259 T260 E261 | P257-H259 VanDerWaalsContact C-N 3.31Å; P257-H259 PolarHBondContact O-N 3.2Å; P257-T260 PolarHBondContact O-N 3.01Å; P257-T260 VanDerWaalsContact O-N 3.14Å; P257-T260 PolarHBondContact O-OG1 3.45Å; P257-E261 PolarHBondContact O-N 3.24Å |
| 258 | V | 55.1 | Low | 65.2 | Low | 84 Ų | 84 | 119.7 Ų | 119.7 | 51% | 0.509 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -57 | -39.9 | -178.7 | -159.3 | 0 | 0 | 0 | 0 | 112.6 | P256 T260 E261 E262 | P256-V258 HydrophobicContact CB-CG2 4.27Å; P256-V258 PolarHBondContact O-N 2.88Å; V258-T260 VanDerWaalsContact C-N 3.34Å; V258-T260 PolarHBondContact O-N 2.85Å; V258-E261 PolarHBondContact O-N 2.88Å; V258-E262 WeakPolarHBondContact O-CB 3.5Å; V258-E262 WeakPolarHBondContact O-CG 3.38Å; V258-E262 PolarHBondContact O-N 2.82Å |
| 259 | H | 57.6 | Low | 67.5 | Low | 105 Ų | 105 | 117 Ų | 117 | 49% | 0.486 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.6 | -27.5 | -178.5 | -104.4 | -36.1 | 0 | 0 | 0 | 113.2 | P256 P257 E262 V263 | P256-H259 PolarHBondContact O-N 2.92Å; P257-H259 VanDerWaalsContact C-N 3.31Å; P257-H259 PolarHBondContact O-N 3.2Å; H259-E262 IonicContact CE1-OE2 3.75Å; H259-E262 IonicContact ND1-OE2 3.3Å; H259-E262 PolarHBondContact ND1-OE2 2.84Å; H259-V263 WeakPolarHBondContact O-CB 3.24Å; H259-V263 WeakPolarHBondContact O-CG2 3.48Å; H259-V263 PolarHBondContact O-N 2.96Å; H259-V263 VanDerWaalsContact O-N 3.11Å |
| 260 | T | 64.8 | Low | 70.3 | Confident | 92 Ų | 92 | 121 Ų | 121 | 56% | 0.564 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -74.7 | -38.6 | 177.3 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | P257 V258 V263 T264 | P257-T260 PolarHBondContact O-N 3.01Å; P257-T260 VanDerWaalsContact O-N 3.14Å; P257-T260 PolarHBondContact O-OG1 3.45Å; V258-T260 VanDerWaalsContact C-N 3.34Å; V258-T260 PolarHBondContact O-N 2.85Å; T260-V263 PolarHBondContact O-N 2.96Å; T260-T264 WeakPolarHBondContact O-CG2 3.46Å; T260-T264 PolarHBondContact O-N 3.47Å; T260-T264 PolarHBondContact O-OG1 2.98Å |
| 261 | E | 75.1 | Confident | 72.8 | Confident | 127 Ų | 127 | 120.7 Ų | 120.7 | 59% | 0.593 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.3 | -35.4 | 175.4 | -66.9 | -174.9 | 170.8 | 0 | 0 | 112.7 | P257 V258 T264 R265 | P257-E261 PolarHBondContact O-N 3.24Å; V258-E261 PolarHBondContact O-N 2.88Å; E261-T264 WeakPolarHBondContact CA-OG1 3.49Å; E261-T264 PolarHBondContact O-OG1 3.13Å; E261-R265 VanDerWaalsContact O-CB 3.28Å; E261-R265 WeakPolarHBondContact O-CB 3.47Å; E261-R265 PolarHBondContact O-N 3.21Å |
| 262 | E | 79.5 | Confident | 75.5 | Confident | 104 Ų | 104 | 117.8 Ų | 117.8 | 49% | 0.486 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.2 | -38.8 | 172 | -76.9 | -179.2 | 167.5 | 0 | 0 | 112.2 | V258 H259 K266 | V258-E262 WeakPolarHBondContact O-CB 3.5Å; V258-E262 WeakPolarHBondContact O-CG 3.38Å; V258-E262 PolarHBondContact O-N 2.82Å; H259-E262 IonicContact CE1-OE2 3.75Å; H259-E262 IonicContact ND1-OE2 3.3Å; H259-E262 PolarHBondContact ND1-OE2 2.84Å; E262-K266 VanDerWaalsContact O-CB 3.22Å; E262-K266 WeakPolarHBondContact O-CB 3.14Å; E262-K266 PolarHBondContact O-N 2.87Å |
| 263 | V | 87.4 | Confident | 77.8 | Confident | 91 Ų | 91 | 120.6 Ų | 120.6 | 55% | 0.552 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.5 | -41.2 | 177.1 | 169 | 0 | 0 | 0 | 0 | 111.1 | H259 T260 K266 R267 | H259-V263 WeakPolarHBondContact O-CB 3.24Å; H259-V263 WeakPolarHBondContact O-CG2 3.48Å; H259-V263 PolarHBondContact O-N 2.96Å; H259-V263 VanDerWaalsContact O-N 3.11Å; T260-V263 PolarHBondContact O-N 2.96Å; V263-K266 PolarHBondContact O-N 3.07Å; V263-R267 WeakPolarHBondContact O-CB 3.46Å; V263-R267 PolarHBondContact O-N 3.38Å |
| 264 | T | 91.8 | Very high | 80.3 | Confident | 89 Ų | 89 | 117.3 Ų | 117.3 | 55% | 0.546 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.1 | -45.4 | 176 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | T260 E261 K266 R267 E268 | T260-T264 WeakPolarHBondContact O-CG2 3.46Å; T260-T264 PolarHBondContact O-N 3.47Å; T260-T264 PolarHBondContact O-OG1 2.98Å; E261-T264 WeakPolarHBondContact CA-OG1 3.49Å; E261-T264 PolarHBondContact O-OG1 3.13Å; T264-K266 VanDerWaalsContact C-N 3.33Å; T264-K266 PolarHBondContact O-N 3.36Å; T264-R267 WeakPolarHBondContact O-CB 3.41Å; T264-R267 PolarHBondContact O-N 3.38Å; T264-R267 VanDerWaalsContact O-N 3.1Å; T264-E268 PolarHBondContact O-N 2.65Å |
| 265 | R | 94.5 | Very high | 82.5 | Confident | 178 Ų | 178 | 116.2 Ų | 116.2 | 67% | 0.672 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59.6 | -41.9 | 175 | -168.4 | -176.1 | -67.8 | -152.1 | 0.9 | 111.8 | E261 R267 E268 V269 | E261-R265 VanDerWaalsContact O-CB 3.28Å; E261-R265 WeakPolarHBondContact O-CB 3.47Å; E261-R265 PolarHBondContact O-N 3.21Å; R265-R267 VanDerWaalsContact C-N 3.35Å; R265-R267 PolarHBondContact O-N 3.31Å; R265-E268 WeakPolarHBondContact O-CB 3.47Å; R265-E268 PolarHBondContact O-N 2.94Å; R265-V269 WeakPolarHBondContact O-CG2 3.32Å; R265-V269 PolarHBondContact O-N 3.03Å |
| 266 | K | 96.1 | Very high | 85.1 | Confident | 144 Ų | 144 | 115.3 Ų | 115.3 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.5 | -35.7 | 175.3 | -175.3 | 175.4 | -179.5 | 177.3 | 0 | 112.5 | E262 V263 T264 R270 | E262-K266 VanDerWaalsContact O-CB 3.22Å; E262-K266 WeakPolarHBondContact O-CB 3.14Å; E262-K266 PolarHBondContact O-N 2.87Å; V263-K266 PolarHBondContact O-N 3.07Å; T264-K266 VanDerWaalsContact C-N 3.33Å; T264-K266 PolarHBondContact O-N 3.36Å; K266-R270 WeakPolarHBondContact O-CG 3.42Å; K266-R270 PolarHBondContact O-N 3.43Å |
| 267 | R | 96.3 | Very high | 87.4 | Confident | 163 Ų | 163 | 114.5 Ų | 114.5 | 62% | 0.615 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.4 | -44.3 | 172.7 | -175 | -177.7 | -175.3 | -168 | 1.8 | 110.9 | V263 T264 R265 R270 L271 | V263-R267 WeakPolarHBondContact O-CB 3.46Å; V263-R267 PolarHBondContact O-N 3.38Å; T264-R267 WeakPolarHBondContact O-CB 3.41Å; T264-R267 PolarHBondContact O-N 3.38Å; T264-R267 VanDerWaalsContact O-N 3.1Å; R265-R267 VanDerWaalsContact C-N 3.35Å; R265-R267 PolarHBondContact O-N 3.31Å; R267-R270 WeakPolarHBondContact O-CB 3.38Å; R267-R270 PolarHBondContact O-N 2.91Å; R267-L271 HydrophobicContact CG-CD1 4.27Å; R267-L271 WeakPolarHBondContact O-CG 3.27Å; R267-L271 PolarHBondContact O-N 2.86Å |
| 268 | E | 96.5 | Very high | 89.4 | Confident | 122 Ų | 122 | 112 Ų | 112 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.7 | -47.3 | 178.5 | -174.5 | 176.9 | -168.7 | 0 | 0 | 111.9 | T264 R265 R270 L271 M272 | T264-E268 PolarHBondContact O-N 2.65Å; R265-E268 WeakPolarHBondContact O-CB 3.47Å; R265-E268 PolarHBondContact O-N 2.94Å; E268-R270 VanDerWaalsContact C-N 3.28Å; E268-R270 PolarHBondContact O-N 3.45Å; E268-L271 PolarHBondContact O-N 2.91Å; E268-L271 VanDerWaalsContact O-N 3.13Å; E268-M272 WeakPolarHBondContact O-CG 3.41Å; E268-M272 PolarHBondContact O-N 3.28Å |
| 269 | V | 97.4 | Very high | 91.5 | Very high | 73 Ų | 73 | 113.5 Ų | 113.5 | 44% | 0.442 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.4 | -41 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | R265 M272 K273 | R265-V269 WeakPolarHBondContact O-CG2 3.32Å; R265-V269 PolarHBondContact O-N 3.03Å; V269-M272 PolarHBondContact O-N 3.18Å; V269-K273 HydrophobicContact CG1-CD 4.31Å; V269-K273 WeakPolarHBondContact O-CB 3.2Å; V269-K273 WeakPolarHBondContact O-CG 3.12Å; V269-K273 PolarHBondContact O-N 3Å |
| 270 | R | 98.1 | Very high | 93.4 | Very high | 158 Ų | 158 | 114.8 Ų | 114.8 | 60% | 0.596 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 176.4 | -77 | -172.3 | -68.2 | 163 | -2 | 112 | K266 R267 E268 K273 N274 | K266-R270 WeakPolarHBondContact O-CG 3.42Å; K266-R270 PolarHBondContact O-N 3.43Å; R267-R270 WeakPolarHBondContact O-CB 3.38Å; R267-R270 PolarHBondContact O-N 2.91Å; E268-R270 VanDerWaalsContact C-N 3.28Å; E268-R270 PolarHBondContact O-N 3.45Å; R270-K273 PolarHBondContact O-N 3.47Å; R270-N274 WeakPolarHBondContact O-CB 3.41Å; R270-N274 PolarHBondContact O-N 3.37Å |
| 271 | L | 98.3 | Very high | 95.1 | Very high | 105 Ų | 105 | 114.6 Ų | 114.6 | 55% | 0.55 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 177.6 | -68.8 | 174.9 | 0 | 0 | 0 | 111.5 | R267 E268 N274 R275 | R267-L271 HydrophobicContact CG-CD1 4.27Å; R267-L271 WeakPolarHBondContact O-CG 3.27Å; R267-L271 PolarHBondContact O-N 2.86Å; E268-L271 PolarHBondContact O-N 2.91Å; E268-L271 VanDerWaalsContact O-N 3.13Å; L271-N274 PolarHBondContact O-N 3.21Å; L271-R275 WeakPolarHBondContact O-CB 3.41Å; L271-R275 PolarHBondContact O-N 2.91Å |
| 272 | M | 97.8 | Very high | 96.2 | Very high | 112 Ų | 112 | 117.7 Ų | 117.7 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -62.7 | -45.3 | 175.3 | -72.8 | -69.1 | -115.7 | 0 | 0 | 112 | E268 V269 R275 E276 | E268-M272 WeakPolarHBondContact O-CG 3.41Å; E268-M272 PolarHBondContact O-N 3.28Å; V269-M272 PolarHBondContact O-N 3.18Å; M272-R275 WeakPolarHBondContact O-CB 3.33Å; M272-R275 PolarHBondContact O-N 3.34Å; M272-E276 PolarHBondContact O-N 3.44Å |
| 273 | K | 98.6 | Very high | 97.1 | Very high | 150 Ų | 150 | 119.9 Ų | 119.9 | 65% | 0.652 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.6 | -41.6 | 175.1 | -74.1 | -175.4 | 175.8 | -171 | 0 | 112.5 | V269 R270 R275 E276 A277 | V269-K273 HydrophobicContact CG1-CD 4.31Å; V269-K273 WeakPolarHBondContact O-CB 3.2Å; V269-K273 WeakPolarHBondContact O-CG 3.12Å; V269-K273 PolarHBondContact O-N 3Å; R270-K273 PolarHBondContact O-N 3.47Å; K273-R275 VanDerWaalsContact C-N 3.33Å; K273-E276 PolarHBondContact O-N 2.87Å; K273-A277 WeakPolarHBondContact O-CB 3.33Å; K273-A277 PolarHBondContact O-N 3.4Å |
| 274 | N | 98.4 | Very high | 97.6 | Very high | 113 Ų | 113 | 123 Ų | 123 | 60% | 0.604 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.1 | -38.8 | 176.5 | -175 | -96.4 | 0 | 0 | 0 | 111.6 | R270 L271 E276 A277 A278 | R270-N274 WeakPolarHBondContact O-CB 3.41Å; R270-N274 PolarHBondContact O-N 3.37Å; L271-N274 PolarHBondContact O-N 3.21Å; N274-E276 VanDerWaalsContact C-N 3.31Å; N274-E276 PolarHBondContact O-N 3.5Å; N274-A277 PolarHBondContact O-N 3.11Å; N274-A278 WeakPolarHBondContact O-CB 3.48Å; N274-A278 PolarHBondContact O-N 3.34Å |
| 275 | R | 98.5 | Very high | 98 | Very high | 148 Ų | 148 | 126 Ų | 126 | 56% | 0.558 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -59.3 | -43.8 | 173.8 | -171.7 | 178.6 | -173.3 | -174.5 | -0.6 | 111.3 | L271 M272 K273 R279 | L271-R275 WeakPolarHBondContact O-CB 3.41Å; L271-R275 PolarHBondContact O-N 2.91Å; M272-R275 WeakPolarHBondContact O-CB 3.33Å; M272-R275 PolarHBondContact O-N 3.34Å; K273-R275 VanDerWaalsContact C-N 3.33Å; R275-R279 WeakPolarHBondContact O-CG 3.48Å; R275-R279 PolarHBondContact O-N 2.9Å |
| 276 | E | 98.6 | Very high | 98.2 | Very high | 101 Ų | 101 | 125.5 Ų | 125.5 | 47% | 0.472 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.9 | -46.9 | 177.8 | -164.5 | 58.9 | -159.4 | 0 | 0 | 112.2 | M272 K273 N274 A278 R279 E280 | M272-E276 PolarHBondContact O-N 3.44Å; K273-E276 PolarHBondContact O-N 2.87Å; N274-E276 VanDerWaalsContact C-N 3.31Å; N274-E276 PolarHBondContact O-N 3.5Å; E276-A278 PolarHBondContact O-N 3.26Å; E276-R279 WeakPolarHBondContact O-CB 3.35Å; E276-R279 PolarHBondContact O-N 3.46Å; E276-R279 IonicContact OE2-CZ 3.56Å; E276-R279 IonicContact OE2-NH1 3.73Å; E276-R279 PolarHBondContact OE2-NH1 3.37Å; E276-E280 PolarHBondContact O-N 2.91Å |
| 277 | A | 98.5 | Very high | 98.3 | Very high | 54 Ų | 54 | 124.7 Ų | 124.7 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57.4 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K273 N274 E280 C281 | K273-A277 WeakPolarHBondContact O-CB 3.33Å; K273-A277 PolarHBondContact O-N 3.4Å; N274-A277 PolarHBondContact O-N 3.11Å; A277-E280 PolarHBondContact O-N 2.85Å; A277-C281 WeakPolarHBondContact O-CB 3.44Å; A277-C281 PolarHBondContact O-N 3.12Å |
| 278 | A | 98.8 | Very high | 98.4 | Very high | 38 Ų | 38 | 124 Ų | 124 | 31% | 0.314 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.2 | -38.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N274 E276 R282 | N274-A278 WeakPolarHBondContact O-CB 3.48Å; N274-A278 PolarHBondContact O-N 3.34Å; E276-A278 PolarHBondContact O-N 3.26Å; A278-R282 WeakPolarHBondContact O-CD 3.31Å; A278-R282 VanDerWaalsContact O-CG 3.24Å; A278-R282 WeakPolarHBondContact O-CG 3.33Å; A278-R282 PolarHBondContact O-N 3.42Å; A278-R282 VanDerWaalsContact O-N 3.14Å |
| 279 | R | 98.7 | Very high | 98.6 | Very high | 116 Ų | 116 | 121.1 Ų | 121.1 | 44% | 0.438 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.2 | -47.7 | 174.4 | -70.1 | -179.2 | -171.6 | 120.5 | -8.1 | 111 | R275 E276 R282 K283 | R275-R279 WeakPolarHBondContact O-CG 3.48Å; R275-R279 PolarHBondContact O-N 2.9Å; E276-R279 WeakPolarHBondContact O-CB 3.35Å; E276-R279 PolarHBondContact O-N 3.46Å; E276-R279 IonicContact OE2-CZ 3.56Å; E276-R279 IonicContact OE2-NH1 3.73Å; E276-R279 PolarHBondContact OE2-NH1 3.37Å; R279-R282 PolarHBondContact O-N 3.21Å; R279-K283 PolarHBondContact O-N 2.89Å |
| 280 | E | 98.7 | Very high | 98.6 | Very high | 132 Ų | 132 | 124.9 Ų | 124.9 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.7 | -43.3 | -178.8 | -167.8 | 176.9 | -179.4 | 0 | 0 | 111.7 | E276 A277 R282 K283 K284 | E276-E280 PolarHBondContact O-N 2.91Å; A277-E280 PolarHBondContact O-N 2.85Å; E280-R282 VanDerWaalsContact C-N 3.33Å; E280-R282 PolarHBondContact O-N 3Å; E280-K283 PolarHBondContact O-N 2.97Å; E280-K283 VanDerWaalsContact O-N 3.15Å; E280-K284 WeakPolarHBondContact O-CB 3.48Å; E280-K284 PolarHBondContact O-N 3.48Å |
| 281 | C | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 121 Ų | 121 | 60% | 0.595 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -55.9 | -46.6 | 174 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | A277 K284 K285 | A277-C281 WeakPolarHBondContact O-CB 3.44Å; A277-C281 PolarHBondContact O-N 3.12Å; C281-K284 PolarHBondContact O-N 2.7Å; C281-K285 WeakPolarHBondContact O-CB 3.31Å; C281-K285 PolarHBondContact O-N 3.02Å |
| 282 | R | 98.8 | Very high | 98.7 | Very high | 192 Ų | 192 | 119.3 Ų | 119.3 | 73% | 0.725 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.9 | -41.5 | 176.3 | -70.2 | 170 | -173.7 | -175.2 | 1.7 | 112.2 | A278 R279 E280 K285 K286 | A278-R282 WeakPolarHBondContact O-CD 3.31Å; A278-R282 VanDerWaalsContact O-CG 3.24Å; A278-R282 WeakPolarHBondContact O-CG 3.33Å; A278-R282 PolarHBondContact O-N 3.42Å; A278-R282 VanDerWaalsContact O-N 3.14Å; R279-R282 PolarHBondContact O-N 3.21Å; E280-R282 VanDerWaalsContact C-N 3.33Å; E280-R282 PolarHBondContact O-N 3Å; R282-K285 PolarHBondContact O-N 3.39Å; R282-K286 PolarHBondContact O-N 3.1Å |
| 283 | K | 98.9 | Very high | 98.7 | Very high | 150 Ų | 150 | 119.9 Ų | 119.9 | 65% | 0.652 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.9 | -48.9 | 177.7 | -174.7 | -178.1 | 176.4 | -173.1 | 0 | 111 | R279 E280 K285 K286 E287 | R279-K283 PolarHBondContact O-N 2.89Å; E280-K283 PolarHBondContact O-N 2.97Å; E280-K283 VanDerWaalsContact O-N 3.15Å; K283-K285 VanDerWaalsContact C-N 3.34Å; K283-K285 PolarHBondContact O-N 3.32Å; K283-K286 WeakPolarHBondContact O-CB 3.21Å; K283-K286 PolarHBondContact O-N 3.48Å; K283-K286 VanDerWaalsContact O-N 3.16Å; K283-E287 PolarHBondContact O-N 3.2Å |
| 284 | K | 98.9 | Very high | 98.7 | Very high | 156 Ų | 156 | 117.8 Ų | 117.8 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.3 | -40.3 | 178.7 | -169.5 | 171.6 | -175.7 | 174.4 | 0 | 111.8 | E280 C281 E287 Y288 | E280-K284 WeakPolarHBondContact O-CB 3.48Å; E280-K284 PolarHBondContact O-N 3.48Å; C281-K284 PolarHBondContact O-N 2.7Å; K284-E287 PolarHBondContact O-N 3.05Å; K284-Y288 WeakPolarHBondContact O-CB 3.37Å; K284-Y288 PolarHBondContact O-N 3.33Å |
| 285 | K | 98.8 | Very high | 98.7 | Very high | 152 Ų | 152 | 120.2 Ų | 120.2 | 66% | 0.661 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -61.8 | -44.9 | 173.8 | -173.5 | 175.7 | -179 | -180 | 0 | 111.7 | C281 R282 K283 E287 Y288 V289 | C281-K285 WeakPolarHBondContact O-CB 3.31Å; C281-K285 PolarHBondContact O-N 3.02Å; R282-K285 PolarHBondContact O-N 3.39Å; K283-K285 VanDerWaalsContact C-N 3.34Å; K283-K285 PolarHBondContact O-N 3.32Å; K285-E287 VanDerWaalsContact C-N 3.33Å; K285-E287 PolarHBondContact O-N 3.27Å; K285-Y288 PolarHBondContact O-N 3.47Å; K285-V289 WeakPolarHBondContact O-CG2 3.4Å; K285-V289 PolarHBondContact O-N 2.96Å |
| 286 | K | 98.8 | Very high | 98.8 | Very high | 168 Ų | 168 | 116.7 Ų | 116.7 | 73% | 0.73 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.9 | -42.7 | 177.3 | -174.4 | 176.5 | -178.8 | 178.1 | 0 | 111.8 | R282 K283 K290 | R282-K286 PolarHBondContact O-N 3.1Å; K283-K286 WeakPolarHBondContact O-CB 3.21Å; K283-K286 PolarHBondContact O-N 3.48Å; K283-K286 VanDerWaalsContact O-N 3.16Å; K286-K290 PolarHBondContact O-N 3.14Å; K286-K290 VanDerWaalsContact O-N 3.09Å |
| 287 | E | 98.8 | Very high | 98.8 | Very high | 128 Ų | 128 | 114.3 Ų | 114.3 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -69.1 | -40.3 | 178.3 | -173.3 | 172.1 | -178.6 | 0 | 0 | 112.6 | K283 K284 K285 V289 K290 C291 | K283-E287 PolarHBondContact O-N 3.2Å; K284-E287 PolarHBondContact O-N 3.05Å; K285-E287 VanDerWaalsContact C-N 3.33Å; K285-E287 PolarHBondContact O-N 3.27Å; E287-V289 VanDerWaalsContact C-N 3.35Å; E287-V289 PolarHBondContact O-N 3.25Å; E287-K290 WeakPolarHBondContact O-CB 3.37Å; E287-K290 PolarHBondContact O-N 3.28Å; E287-C291 WeakPolarHBondContact O-CB 3.49Å; E287-C291 PolarHBondContact O-N 3.23Å |
| 288 | Y | 98.8 | Very high | 98.8 | Very high | 148 Ų | 148 | 115 Ų | 115 | 58% | 0.58 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -60 | -45.3 | 174.7 | 177.7 | -110.7 | 0 | 0 | 0 | 111.7 | K284 K285 K290 C291 L292 | K284-Y288 WeakPolarHBondContact O-CB 3.37Å; K284-Y288 PolarHBondContact O-N 3.33Å; K285-Y288 PolarHBondContact O-N 3.47Å; Y288-K290 VanDerWaalsContact C-N 3.34Å; Y288-K290 PolarHBondContact O-N 2.98Å; Y288-C291 PolarHBondContact O-N 2.82Å; Y288-L292 HydrophobicContact CD1-CD1 4.04Å; Y288-L292 HydrophobicContact CE1-CD1 3.44Å; Y288-L292 VanDerWaalsContact CE1-CD1 3.44Å; Y288-L292 HydrophobicContact CE1-CG 4.14Å; Y288-L292 HydrophobicContact CE2-CD1 4.36Å; Y288-L292 HydrophobicContact CE2-CD2 4.33Å; Y288-L292 HydrophobicContact CE2-CG 4.21Å; Y288-L292 WeakPolarHBondContact O-CG 3.38Å; Y288-L292 PolarHBondContact O-N 3.02Å |
| 289 | V | 98.9 | Very high | 98.8 | Very high | 62 Ų | 62 | 116.9 Ų | 116.9 | 38% | 0.376 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.9 | -47.1 | 174.5 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | K285 E287 C291 L292 E293 | K285-V289 WeakPolarHBondContact O-CG2 3.4Å; K285-V289 PolarHBondContact O-N 2.96Å; E287-V289 VanDerWaalsContact C-N 3.35Å; E287-V289 PolarHBondContact O-N 3.25Å; V289-C291 VanDerWaalsContact C-N 3.3Å; V289-C291 PolarHBondContact O-N 3.09Å; V289-L292 WeakPolarHBondContact O-CB 3.36Å; V289-L292 PolarHBondContact O-N 3.43Å; V289-L292 VanDerWaalsContact O-N 3.13Å; V289-E293 HydrophobicContact CG1-CG 4.41Å; V289-E293 WeakPolarHBondContact O-CG 3.49Å; V289-E293 PolarHBondContact O-N 3.44Å |
| 290 | K | 98.8 | Very high | 98.8 | Very high | 151 Ų | 151 | 117.2 Ų | 117.2 | 66% | 0.657 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.9 | -39.2 | 177.1 | -172.4 | -179.6 | 180 | -175.8 | 0 | 112.8 | K286 E287 Y288 E293 N294 | K286-K290 PolarHBondContact O-N 3.14Å; K286-K290 VanDerWaalsContact O-N 3.09Å; E287-K290 WeakPolarHBondContact O-CB 3.37Å; E287-K290 PolarHBondContact O-N 3.28Å; Y288-K290 VanDerWaalsContact C-N 3.34Å; Y288-K290 PolarHBondContact O-N 2.98Å; K290-E293 PolarHBondContact O-N 2.79Å; K290-N294 WeakPolarHBondContact O-CB 3.5Å; K290-N294 PolarHBondContact O-N 3.32Å |
| 291 | C | 98.8 | Very high | 98.8 | Very high | 77 Ų | 77 | 115.7 Ų | 115.7 | 52% | 0.52 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.7 | -39.3 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | E287 Y288 V289 N294 R295 | E287-C291 WeakPolarHBondContact O-CB 3.49Å; E287-C291 PolarHBondContact O-N 3.23Å; Y288-C291 PolarHBondContact O-N 2.82Å; V289-C291 VanDerWaalsContact C-N 3.3Å; V289-C291 PolarHBondContact O-N 3.09Å; C291-N294 PolarHBondContact O-N 3.32Å; C291-R295 WeakPolarHBondContact O-CB 3.4Å; C291-R295 PolarHBondContact O-N 3.31Å |
| 292 | L | 98.9 | Very high | 98.8 | Very high | 70 Ų | 70 | 116.5 Ų | 116.5 | 37% | 0.366 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.2 | -45.9 | 173.6 | -71.8 | 179.9 | 0 | 0 | 0 | 111.8 | Y288 V289 N294 R295 V296 | Y288-L292 HydrophobicContact CD1-CD1 4.04Å; Y288-L292 HydrophobicContact CE1-CD1 3.44Å; Y288-L292 VanDerWaalsContact CE1-CD1 3.44Å; Y288-L292 HydrophobicContact CE1-CG 4.14Å; Y288-L292 HydrophobicContact CE2-CD1 4.36Å; Y288-L292 HydrophobicContact CE2-CD2 4.33Å; Y288-L292 HydrophobicContact CE2-CG 4.21Å; Y288-L292 WeakPolarHBondContact O-CG 3.38Å; Y288-L292 PolarHBondContact O-N 3.02Å; V289-L292 WeakPolarHBondContact O-CB 3.36Å; V289-L292 PolarHBondContact O-N 3.43Å; V289-L292 VanDerWaalsContact O-N 3.13Å; L292-N294 VanDerWaalsContact C-N 3.31Å; L292-N294 PolarHBondContact O-N 2.92Å; L292-R295 PolarHBondContact O-N 3.31Å; L292-V296 WeakPolarHBondContact O-CG2 3.49Å; L292-V296 PolarHBondContact O-N 3.47Å |
| 293 | E | 98.6 | Very high | 98.8 | Very high | 123 Ų | 123 | 111.9 Ų | 111.9 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -57.8 | -44.6 | 175.8 | -70 | 167.6 | 169.6 | 0 | 0 | 111.2 | V289 K290 V296 A297 | V289-E293 HydrophobicContact CG1-CG 4.41Å; V289-E293 WeakPolarHBondContact O-CG 3.49Å; V289-E293 PolarHBondContact O-N 3.44Å; K290-E293 PolarHBondContact O-N 2.79Å; E293-V296 PolarHBondContact O-N 3.29Å; E293-A297 PolarHBondContact O-N 3.14Å |
| 294 | N | 98.8 | Very high | 98.8 | Very high | 106 Ų | 106 | 110.5 Ų | 110.5 | 57% | 0.567 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.7 | -43.2 | 175.6 | -179.9 | -99.2 | 0 | 0 | 0 | 112.2 | K290 C291 L292 V296 A297 V298 | K290-N294 WeakPolarHBondContact O-CB 3.5Å; K290-N294 PolarHBondContact O-N 3.32Å; C291-N294 PolarHBondContact O-N 3.32Å; L292-N294 VanDerWaalsContact C-N 3.31Å; L292-N294 PolarHBondContact O-N 2.92Å; N294-V296 VanDerWaalsContact C-N 3.31Å; N294-V296 PolarHBondContact O-N 3.04Å; N294-A297 PolarHBondContact O-N 3.36Å; N294-V298 WeakPolarHBondContact O-CG2 3.4Å; N294-V298 PolarHBondContact O-N 2.94Å |
| 295 | R | 98.8 | Very high | 98.8 | Very high | 164 Ų | 164 | 105.8 Ų | 105.8 | 62% | 0.619 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 177.1 | -176.7 | 175.8 | 177.2 | 169 | -0.4 | 111.5 | C291 L292 V298 L299 | C291-R295 WeakPolarHBondContact O-CB 3.4Å; C291-R295 PolarHBondContact O-N 3.31Å; L292-R295 PolarHBondContact O-N 3.31Å; R295-V298 PolarHBondContact O-N 3.44Å; R295-L299 HydrophobicContact CG-CD1 4.04Å; R295-L299 HydrophobicContact CG-CG 4.48Å; R295-L299 WeakPolarHBondContact O-CB 3.11Å; R295-L299 VanDerWaalsContact O-CG 3.26Å; R295-L299 WeakPolarHBondContact O-CG 3.41Å; R295-L299 PolarHBondContact O-N 3.44Å |
| 296 | V | 98.9 | Very high | 98.8 | Very high | 74 Ų | 74 | 102.9 Ų | 102.9 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 174.2 | 169.7 | 0 | 0 | 0 | 0 | 110 | L292 E293 N294 V298 L299 E300 | L292-V296 WeakPolarHBondContact O-CG2 3.49Å; L292-V296 PolarHBondContact O-N 3.47Å; E293-V296 PolarHBondContact O-N 3.29Å; N294-V296 VanDerWaalsContact C-N 3.31Å; N294-V296 PolarHBondContact O-N 3.04Å; V296-V298 VanDerWaalsContact C-N 3.32Å; V296-V298 PolarHBondContact O-N 3.11Å; V296-L299 PolarHBondContact O-N 2.9Å; V296-L299 VanDerWaalsContact O-N 3.14Å; V296-E300 HydrophobicContact CG1-CG 4.24Å; V296-E300 WeakPolarHBondContact CG1-OE1 3.14Å; V296-E300 WeakPolarHBondContact O-CB 3.22Å; V296-E300 WeakPolarHBondContact O-CG 3.39Å; V296-E300 PolarHBondContact O-N 3.48Å |
| 297 | A | 98.8 | Very high | 98.7 | Very high | 51 Ų | 51 | 100.2 Ų | 100.2 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | E293 N294 N301 | E293-A297 PolarHBondContact O-N 3.14Å; N294-A297 PolarHBondContact O-N 3.36Å; A297-N301 WeakPolarHBondContact O-CB 3.49Å; A297-N301 PolarHBondContact O-N 3.46Å |
| 298 | V | 98.8 | Very high | 98.7 | Very high | 68 Ų | 68 | 99.3 Ų | 99.3 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 175.4 | 170.8 | 0 | 0 | 0 | 0 | 111 | N294 R295 V296 N301 Q302 | N294-V298 WeakPolarHBondContact O-CG2 3.4Å; N294-V298 PolarHBondContact O-N 2.94Å; R295-V298 PolarHBondContact O-N 3.44Å; V296-V298 VanDerWaalsContact C-N 3.32Å; V296-V298 PolarHBondContact O-N 3.11Å; V298-N301 PolarHBondContact O-N 3.44Å; V298-Q302 HydrophobicContact CG1-CG 4.46Å; V298-Q302 WeakPolarHBondContact O-CG 3.48Å; V298-Q302 PolarHBondContact O-N 3.01Å |
| 299 | L | 98.8 | Very high | 98.6 | Very high | 78 Ų | 78 | 97.2 Ų | 97.2 | 41% | 0.408 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 179.5 | -71.9 | 170.9 | 0 | 0 | 0 | 112.1 | R295 V296 N301 Q302 N303 | R295-L299 HydrophobicContact CG-CD1 4.04Å; R295-L299 HydrophobicContact CG-CG 4.48Å; R295-L299 WeakPolarHBondContact O-CB 3.11Å; R295-L299 VanDerWaalsContact O-CG 3.26Å; R295-L299 WeakPolarHBondContact O-CG 3.41Å; R295-L299 PolarHBondContact O-N 3.44Å; V296-L299 PolarHBondContact O-N 2.9Å; V296-L299 VanDerWaalsContact O-N 3.14Å; L299-N301 VanDerWaalsContact C-N 3.35Å; L299-Q302 PolarHBondContact O-N 3.15Å; L299-N303 WeakPolarHBondContact O-CB 3.24Å; L299-N303 PolarHBondContact O-N 3.03Å; L299-N303 PolarHBondContact O-ND2 2.9Å |
| 300 | E | 98.6 | Very high | 98.6 | Very high | 123 Ų | 123 | 99.9 Ų | 99.9 | 58% | 0.575 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 173.8 | -74.2 | 174.4 | 169.5 | 0 | 0 | 111.3 | V296 N303 K304 | V296-E300 HydrophobicContact CG1-CG 4.24Å; V296-E300 WeakPolarHBondContact CG1-OE1 3.14Å; V296-E300 WeakPolarHBondContact O-CB 3.22Å; V296-E300 WeakPolarHBondContact O-CG 3.39Å; V296-E300 PolarHBondContact O-N 3.48Å; E300-N303 PolarHBondContact O-N 3.29Å; E300-K304 WeakPolarHBondContact O-CB 3.23Å; E300-K304 PolarHBondContact O-N 3.41Å |
| 301 | N | 98.8 | Very high | 98.4 | Very high | 101 Ų | 101 | 100.1 Ų | 100.1 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | 176.6 | -168.3 | 46.4 | 0 | 0 | 0 | 112 | A297 V298 L299 N303 K304 T305 | A297-N301 WeakPolarHBondContact O-CB 3.49Å; A297-N301 PolarHBondContact O-N 3.46Å; V298-N301 PolarHBondContact O-N 3.44Å; L299-N301 VanDerWaalsContact C-N 3.35Å; N301-N303 PolarHBondContact O-N 3.37Å; N301-K304 WeakPolarHBondContact O-CB 3.46Å; N301-K304 PolarHBondContact O-N 3.4Å; N301-T305 PolarHBondContact O-N 3.49Å; N301-T305 PolarHBondContact O-OG1 3.32Å |
| 302 | Q | 98.7 | Very high | 98.3 | Very high | 105 Ų | 105 | 98.9 Ų | 98.9 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 175 | -75 | 178.7 | -31.1 | 0 | 0 | 111.7 | V298 L299 K304 T305 L306 | V298-Q302 HydrophobicContact CG1-CG 4.46Å; V298-Q302 WeakPolarHBondContact O-CG 3.48Å; V298-Q302 PolarHBondContact O-N 3.01Å; L299-Q302 PolarHBondContact O-N 3.15Å; Q302-K304 VanDerWaalsContact C-N 3.29Å; Q302-K304 PolarHBondContact O-N 3.39Å; Q302-T305 PolarHBondContact O-N 2.95Å; Q302-L306 VanDerWaalsContact O-CG 3.31Å; Q302-L306 WeakPolarHBondContact O-CG 3.38Å; Q302-L306 PolarHBondContact O-N 2.93Å |
| 303 | N | 98.6 | Very high | 98.2 | Very high | 95 Ų | 95 | 101 Ų | 101 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 176.2 | -81.6 | -28.7 | 0 | 0 | 0 | 111.8 | L299 E300 N301 L306 I307 | L299-N303 WeakPolarHBondContact O-CB 3.24Å; L299-N303 PolarHBondContact O-N 3.03Å; L299-N303 PolarHBondContact O-ND2 2.9Å; E300-N303 PolarHBondContact O-N 3.29Å; N301-N303 PolarHBondContact O-N 3.37Å; N303-L306 PolarHBondContact O-N 3.47Å; N303-I307 WeakPolarHBondContact O-CB 3.28Å; N303-I307 WeakPolarHBondContact O-CD1 3.29Å; N303-I307 WeakPolarHBondContact O-CG1 3.49Å; N303-I307 PolarHBondContact O-N 2.89Å |
| 304 | K | 98.7 | Very high | 98 | Very high | 121 Ų | 121 | 102.1 Ų | 102.1 | 53% | 0.526 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -49.3 | 176.7 | -172.9 | -176.2 | 175.6 | -169.3 | 0 | 111.6 | E300 N301 Q302 L306 I307 E308 | E300-K304 WeakPolarHBondContact O-CB 3.23Å; E300-K304 PolarHBondContact O-N 3.41Å; N301-K304 WeakPolarHBondContact O-CB 3.46Å; N301-K304 PolarHBondContact O-N 3.4Å; Q302-K304 VanDerWaalsContact C-N 3.29Å; Q302-K304 PolarHBondContact O-N 3.39Å; K304-L306 PolarHBondContact O-N 3.25Å; K304-I307 PolarHBondContact O-N 2.82Å; K304-E308 WeakPolarHBondContact CE-OE1 3.39Å; K304-E308 WeakPolarHBondContact O-CG 3.23Å; K304-E308 PolarHBondContact O-N 3.04Å |
| 305 | T | 98.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 101.3 Ų | 101.3 | 34% | 0.344 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 177.4 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | N301 Q302 I307 E308 E309 | N301-T305 PolarHBondContact O-N 3.49Å; N301-T305 PolarHBondContact O-OG1 3.32Å; Q302-T305 PolarHBondContact O-N 2.95Å; T305-I307 VanDerWaalsContact C-N 3.31Å; T305-I307 PolarHBondContact O-N 3.47Å; T305-E308 PolarHBondContact O-N 3.26Å; T305-E308 VanDerWaalsContact O-N 3.14Å; T305-E309 HydrophobicContact CG2-CG 4.5Å; T305-E309 WeakPolarHBondContact O-CG 3.49Å; T305-E309 PolarHBondContact O-N 3.47Å |
| 306 | L | 98.6 | Very high | 97.6 | Very high | 91 Ų | 91 | 97.9 Ų | 97.9 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 177.8 | -70 | 172.4 | 0 | 0 | 0 | 112.3 | Q302 N303 K304 E309 L310 | Q302-L306 VanDerWaalsContact O-CG 3.31Å; Q302-L306 WeakPolarHBondContact O-CG 3.38Å; Q302-L306 PolarHBondContact O-N 2.93Å; N303-L306 PolarHBondContact O-N 3.47Å; K304-L306 PolarHBondContact O-N 3.25Å; L306-E309 PolarHBondContact O-N 3.11Å; L306-L310 WeakPolarHBondContact O-CB 3.43Å; L306-L310 VanDerWaalsContact O-CG 3.25Å; L306-L310 WeakPolarHBondContact O-CG 3.36Å; L306-L310 PolarHBondContact O-N 2.96Å |
| 307 | I | 98.2 | Very high | 97.2 | Very high | 113 Ų | 113 | 102 Ų | 102 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 175.2 | -71.3 | 164.7 | 0 | 0 | 0 | 110.9 | N303 K304 T305 L310 K311 | N303-I307 WeakPolarHBondContact O-CB 3.28Å; N303-I307 WeakPolarHBondContact O-CD1 3.29Å; N303-I307 WeakPolarHBondContact O-CG1 3.49Å; N303-I307 PolarHBondContact O-N 2.89Å; K304-I307 PolarHBondContact O-N 2.82Å; T305-I307 VanDerWaalsContact C-N 3.31Å; T305-I307 PolarHBondContact O-N 3.47Å; I307-L310 PolarHBondContact O-N 3.49Å; I307-K311 WeakPolarHBondContact O-CB 3.47Å; I307-K311 PolarHBondContact O-N 2.89Å |
| 308 | E | 97.9 | Very high | 96.2 | Very high | 109 Ų | 109 | 103 Ų | 103 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 177.7 | -72.8 | 173.9 | -175.1 | 0 | 0 | 111.6 | K304 T305 K311 A312 | K304-E308 WeakPolarHBondContact CE-OE1 3.39Å; K304-E308 WeakPolarHBondContact O-CG 3.23Å; K304-E308 PolarHBondContact O-N 3.04Å; T305-E308 PolarHBondContact O-N 3.26Å; T305-E308 VanDerWaalsContact O-N 3.14Å; E308-K311 WeakPolarHBondContact O-CB 3.3Å; E308-K311 PolarHBondContact O-N 3.46Å; E308-A312 PolarHBondContact O-N 3.41Å |
| 309 | E | 97.4 | Very high | 94.8 | Very high | 104 Ų | 104 | 105.8 Ų | 105.8 | 49% | 0.486 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 174.9 | -72.3 | 176.6 | -178.3 | 0 | 0 | 112 | T305 L306 K311 A312 L313 | T305-E309 HydrophobicContact CG2-CG 4.5Å; T305-E309 WeakPolarHBondContact O-CG 3.49Å; T305-E309 PolarHBondContact O-N 3.47Å; L306-E309 PolarHBondContact O-N 3.11Å; E309-K311 VanDerWaalsContact C-N 3.26Å; E309-K311 PolarHBondContact O-N 2.97Å; E309-A312 PolarHBondContact O-N 3.3Å; E309-L313 WeakPolarHBondContact O-CB 3.37Å; E309-L313 WeakPolarHBondContact O-CG 3.34Å; E309-L313 PolarHBondContact O-N 2.98Å |
| 310 | L | 97.5 | Very high | 93 | Very high | 117 Ų | 117 | 109.6 Ų | 109.6 | 61% | 0.613 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.9 | -38.3 | 176.1 | -74.5 | 176.3 | 0 | 0 | 0 | 111.7 | L306 I307 K314 | L306-L310 WeakPolarHBondContact O-CB 3.43Å; L306-L310 VanDerWaalsContact O-CG 3.25Å; L306-L310 WeakPolarHBondContact O-CG 3.36Å; L306-L310 PolarHBondContact O-N 2.96Å; I307-L310 PolarHBondContact O-N 3.49Å; L310-K314 WeakPolarHBondContact O-CB 3.46Å; L310-K314 PolarHBondContact O-N 2.83Å |
| 311 | K | 96.6 | Very high | 91.1 | Very high | 157 Ų | 157 | 109.2 Ų | 109.2 | 68% | 0.683 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.3 | -46 | 175.8 | -174 | -179.1 | 177.9 | -175.2 | 0 | 111.1 | I307 E308 E309 K314 D315 | I307-K311 WeakPolarHBondContact O-CB 3.47Å; I307-K311 PolarHBondContact O-N 2.89Å; E308-K311 WeakPolarHBondContact O-CB 3.3Å; E308-K311 PolarHBondContact O-N 3.46Å; E309-K311 VanDerWaalsContact C-N 3.26Å; E309-K311 PolarHBondContact O-N 2.97Å; K311-K314 PolarHBondContact O-N 3.39Å; K311-D315 WeakPolarHBondContact O-CB 3.5Å; K311-D315 PolarHBondContact O-N 3.17Å |
| 312 | A | 96 | Very high | 88.7 | Confident | 51 Ų | 51 | 115.4 Ų | 115.4 | 42% | 0.421 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.4 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E308 E309 K314 D315 I316 | E308-A312 PolarHBondContact O-N 3.41Å; E309-A312 PolarHBondContact O-N 3.3Å; A312-K314 PolarHBondContact O-N 3.27Å; A312-D315 WeakPolarHBondContact O-CB 3.37Å; A312-D315 PolarHBondContact O-N 3.02Å; A312-I316 WeakPolarHBondContact O-CD1 3.23Å; A312-I316 VanDerWaalsContact O-CG1 3.29Å; A312-I316 WeakPolarHBondContact O-CG1 3.47Å; A312-I316 PolarHBondContact O-N 3.45Å |
| 313 | L | 96.4 | Very high | 88.2 | Confident | 113 Ų | 113 | 115.9 Ų | 115.9 | 59% | 0.592 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.1 | -42 | 175.9 | -74.1 | 168.8 | 0 | 0 | 0 | 112.2 | E309 D315 Y317 | E309-L313 WeakPolarHBondContact O-CB 3.37Å; E309-L313 WeakPolarHBondContact O-CG 3.34Å; E309-L313 PolarHBondContact O-N 2.98Å; L313-D315 VanDerWaalsContact C-N 3.34Å; L313-Y317 PolarHBondContact O-N 3.25Å; L313-Y317 VanDerWaalsContact O-N 3.13Å |
| 314 | K | 95.2 | Very high | 87.6 | Confident | 148 Ų | 148 | 117 Ų | 117 | 64% | 0.643 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.8 | -40.6 | 176.3 | -173.5 | 178.2 | 179.3 | -178.3 | 0 | 111.7 | L310 K311 A312 Y317 C318 | L310-K314 WeakPolarHBondContact O-CB 3.46Å; L310-K314 PolarHBondContact O-N 2.83Å; K311-K314 PolarHBondContact O-N 3.39Å; A312-K314 PolarHBondContact O-N 3.27Å; K314-Y317 PolarHBondContact O-N 3.3Å; K314-C318 WeakPolarHBondContact O-CB 3.24Å; K314-C318 PolarHBondContact O-N 3.28Å |
| 315 | D | 94 | Very high | 87 | Confident | 88 Ų | 88 | 116.8 Ų | 116.8 | 47% | 0.471 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.1 | -49 | 178.3 | -163.1 | 56.5 | 0 | 0 | 0 | 111.3 | K311 A312 L313 Y317 C318 H319 | K311-D315 WeakPolarHBondContact O-CB 3.5Å; K311-D315 PolarHBondContact O-N 3.17Å; A312-D315 WeakPolarHBondContact O-CB 3.37Å; A312-D315 PolarHBondContact O-N 3.02Å; L313-D315 VanDerWaalsContact C-N 3.34Å; D315-Y317 VanDerWaalsContact C-N 3.26Å; D315-Y317 PolarHBondContact O-N 3Å; D315-C318 PolarHBondContact O-N 3.28Å; D315-H319 PolarHBondContact O-N 3.28Å; D315-H319 VanDerWaalsContact O-N 3.08Å; D315-H319 IonicContact OD1-CE1 3.95Å; D315-H319 IonicContact OD1-NE2 3.68Å |
| 316 | I | 94.1 | Very high | 86.3 | Confident | 93 Ų | 93 | 120.4 Ų | 120.4 | 48% | 0.477 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -59.6 | -36.9 | 176.6 | -64.2 | 163.3 | 0 | 0 | 0 | 111.7 | A312 K320 | A312-I316 WeakPolarHBondContact O-CD1 3.23Å; A312-I316 VanDerWaalsContact O-CG1 3.29Å; A312-I316 WeakPolarHBondContact O-CG1 3.47Å; A312-I316 PolarHBondContact O-N 3.45Å; I316-K320 HydrophobicContact CG2-CD 4.46Å; I316-K320 WeakPolarHBondContact O-CG 3.36Å |
| 317 | Y | 90.4 | Very high | 85.6 | Confident | 160 Ų | 160 | 122.2 Ų | 122.2 | 63% | 0.627 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -79.2 | -34.1 | -179.9 | -167.1 | -100 | 0 | 0 | 0 | 113.1 | L313 K314 D315 N321 | L313-Y317 PolarHBondContact O-N 3.25Å; L313-Y317 VanDerWaalsContact O-N 3.13Å; K314-Y317 PolarHBondContact O-N 3.3Å; D315-Y317 VanDerWaalsContact C-N 3.26Å; D315-Y317 PolarHBondContact O-N 3Å; Y317-N321 PolarHBondContact O-ND2 3.38Å |
| 318 | C | 78.4 | Confident | 84.7 | Confident | 72 Ų | 72 | 122.8 Ų | 122.8 | 49% | 0.486 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.3 | -32.3 | 176.6 | -90 | 0 | 0 | 0 | 0 | 112.8 | K314 D315 | K314-C318 WeakPolarHBondContact O-CB 3.24Å; K314-C318 PolarHBondContact O-N 3.28Å; D315-C318 PolarHBondContact O-N 3.28Å |
| 319 | H | 68.4 | Low | 83.8 | Confident | 126 Ų | 126 | 123.8 Ų | 123.8 | 58% | 0.583 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -7.1 | 179.6 | -67.7 | -3.5 | 0 | 0 | 0 | 114.6 | D315 | D315-H319 PolarHBondContact O-N 3.28Å; D315-H319 VanDerWaalsContact O-N 3.08Å; D315-H319 IonicContact OD1-CE1 3.95Å; D315-H319 IonicContact OD1-NE2 3.68Å |
| 320 | K | 61.8 | Low | 82.7 | Confident | 159 Ų | 159 | 125.3 Ų | 125.3 | 69% | 0.691 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -9.5 | 174.9 | -81.7 | -178.4 | 178.6 | -177.9 | 0 | 114.2 | I316 | I316-K320 HydrophobicContact CG2-CD 4.46Å; I316-K320 WeakPolarHBondContact O-CG 3.36Å |
| 321 | N | 58 | Low | 81.5 | Confident | 115 Ų | 115 | 126 Ų | 126 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | trans | -111.2 | 14.9 | -174.4 | -65.2 | -27.6 | 0 | 0 | 0 | 113 | Y317 | Y317-N321 PolarHBondContact O-ND2 3.38Š| ||
| 322 | E | 48.6 | Very low | 80.1 | Confident | 230 Ų | 230 | 123.2 Ų | 123.2 | 100% | 1.075 | 61% | 0.607 | S | S | * | * | trans | -118.2 | 0 | 172.1 | -163.9 | 172.6 | -164.8 | 0 | 0 | 109 |
Retrieved 322 of 322 residues in 583.8 ms
(Link to these results)