| 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 | 41.2 | Very low | 37 | Very low | 254 Ų | 254 | 174.4 Ų | 174.4 | 100% | 1.251 | 84% | 0.836 | S | S | * | * | 0 | 147.5 | 0 | -127.7 | 156.7 | 177.8 | 0 | 0 | 107.4 | |||||
| 2 | A | 33.6 | Very low | 36.4 | Very low | 87 Ų | 87 | 164.5 Ų | 164.5 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | trans | -132.2 | 156.2 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | Q | 38 | Very low | 36.3 | Very low | 175 Ų | 175 | 165.2 Ų | 165.2 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 75.2 | 146.9 | 155.2 | -68.4 | 171.2 | -15.3 | 0 | 0 | 120.9 | ||||
| 4 | R | 37 | Very low | 35.9 | Very low | 211 Ų | 211 | 164.6 Ų | 164.6 | 80% | 0.796 | 82% | 0.819 | S | S | * | * | trans | 74.2 | 121.6 | 164.7 | -47.5 | -148.5 | -177.7 | -137.1 | 3 | 116 | ||||
| 5 | Y | 32 | Very low | 35.8 | Very low | 212 Ų | 212 | 158.3 Ų | 158.3 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | -136.7 | 124.3 | 53.4 | -118.8 | -95.4 | 0 | 0 | 0 | 114.8 | D7 | Y5-D7 HydrophobicContact CE1-CB 4.44Š| |||
| 6 | E | 36.2 | Very low | 35.6 | Very low | 184 Ų | 184 | 158.3 Ų | 158.3 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -108.2 | 127.9 | 143.7 | -75.3 | 177.3 | 100.1 | 0 | 0 | 105.8 | ||||
| 7 | D | 35.6 | Very low | 35.2 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | trans | -164.9 | 151.9 | 143.9 | -122.3 | -46.4 | 0 | 0 | 0 | 110.2 | Y5 | Y5-D7 HydrophobicContact CE1-CB 4.44Š| ||
| 8 | L | 37.3 | Very low | 35.1 | Very low | 132 Ų | 132 | 154.3 Ų | 154.3 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | -102.9 | 172.6 | -170.6 | -148.6 | 73.3 | 0 | 0 | 0 | 111.2 | ||||
| 9 | P | 44.9 | Very low | 35.6 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | -144.5 | 150.9 | 92.4 | 36.9 | -21.5 | 0 | 0 | 0 | 115.7 | |||||
| 10 | H | 38.1 | Very low | 35.3 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -63.5 | 151.4 | 159.3 | -101.6 | 27.9 | 0 | 0 | 0 | 111 | ||||
| 11 | Y | 32.8 | Very low | 35.5 | Very low | 233 Ų | 233 | 149.5 Ų | 149.5 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -140.3 | 151.8 | 156.8 | -127.7 | -88 | 0 | 0 | 0 | 109.4 | ||||
| 12 | G | 30.3 | Very low | 35.2 | Very low | 56 Ų | 56 | 145.1 Ų | 145.1 | 58% | 0.577 | 79% | 0.791 | S | S | * | * | trans | -165.5 | 168.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 13 | M | 34.6 | Very low | 35.4 | Very low | 173 Ų | 173 | 152 Ų | 152 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | 66.7 | 148.4 | -166.2 | -53.6 | -52.5 | -150.5 | 0 | 0 | 113.5 | ||||
| 14 | D | 31.2 | Very low | 35 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | cis | -127.9 | 171.7 | 2.8 | -89.5 | -63.3 | 0 | 0 | 0 | 111.4 | ||||
| 15 | G | 33.8 | Very low | 34.8 | Very low | 71 Ų | 71 | 144.4 Ų | 144.4 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | -130.7 | 152.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 16 | V | 32.8 | Very low | 35.7 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | -148.4 | 133.3 | 176.2 | -169.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 17 | G | 28.6 | Very low | 35.5 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 149.1 | 54.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 18 | I | 33.2 | Very low | 35.3 | Very low | 167 Ų | 167 | 135 Ų | 135 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -66.1 | 156.6 | 170.9 | -80.2 | 170.9 | 0 | 0 | 0 | 111.1 | ||||
| 19 | P | 44.6 | Very low | 35 | Very low | 100 Ų | 100 | 134 Ų | 134 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | cis | -133.7 | 165.9 | 17.2 | 33.6 | -13.5 | 0 | 0 | 0 | 118.6 | ||||
| 20 | T | 30.8 | Very low | 34.4 | Very low | 144 Ų | 144 | 139 Ų | 139 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -143.1 | 122.2 | 137.5 | -58.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 21 | T | 38.5 | Very low | 34 | Very low | 117 Ų | 117 | 137 Ų | 137 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | trans | -147.2 | 143.8 | 174.5 | 53.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 22 | M | 35.3 | Very low | 34 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | 169 | 130 | 132.6 | -90 | -60.6 | 174.1 | 0 | 0 | 109.7 | ||||
| 23 | Y | 37.2 | Very low | 33.9 | Very low | 233 Ų | 233 | 140 Ų | 140 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | 63.9 | 140.3 | -178.9 | -73 | -95.9 | 0 | 0 | 0 | 118.1 | ||||
| 24 | G | 30.3 | Very low | 33.8 | Very low | 64 Ų | 64 | 136.8 Ų | 136.8 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | cis | 164.7 | 45.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 25 | D | 32.5 | Very low | 33.8 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | 62.1 | 178.3 | 160.1 | -125.6 | 10 | 0 | 0 | 0 | 116.7 | ||||
| 26 | P | 50.7 | Low | 33.7 | Very low | 81 Ų | 81 | 140 Ų | 140 | 53% | 0.526 | 81% | 0.81 | S | S | . | * | cis | -133.9 | 171.3 | -13.9 | 36.8 | -18 | 0 | 0 | 0 | 117.6 | ||||
| 27 | H | 33.3 | Very low | 33.8 | Very low | 186 Ų | 186 | 138 Ų | 138 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | 78.5 | 122.8 | 157.7 | -52.7 | -41.4 | 0 | 0 | 0 | 120.7 | ||||
| 28 | G | 29.6 | Very low | 33.9 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -165.3 | 32.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 29 | A | 32.2 | Very low | 34 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | trans | 68 | 158.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 30 | R | 31.2 | Very low | 33.2 | Very low | 223 Ų | 223 | 139 Ų | 139 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -108.7 | 155.9 | -178.3 | -72.4 | 170.5 | 162 | 168 | -7.9 | 111.2 | ||||
| 31 | S | 29.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 138 Ų | 138 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | trans | -139.3 | 144.8 | 139.1 | -168.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 32 | M | 33.1 | Very low | 33.6 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 77% | 0.768 | 79% | 0.787 | S | S | * | * | trans | -112.8 | 135.1 | -177.4 | -69.8 | -160.3 | -92.1 | 0 | 0 | 111.1 | ||||
| 33 | Q | 29.3 | Very low | 33.4 | Very low | 196 Ų | 196 | 139 Ų | 139 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 131.9 | 161.1 | -71.9 | -179.1 | -43.1 | 0 | 0 | 109 | ||
| 34 | A | 32.2 | Very low | 33.1 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 135.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 35 | V | 31.3 | Very low | 33.4 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 141.4 | 179.5 | -179 | 0 | 0 | 0 | 0 | 109.4 | L37 | V35-L37 HydrophobicContact CG1-CD1 3.7Š|
| 36 | H | 31.5 | Very low | 33.4 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | -146.2 | 120.8 | 163.6 | -165.2 | -89.2 | 0 | 0 | 0 | 111.7 | ||||
| 37 | L | 35.2 | Very low | 32.6 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 61% | 0.613 | 79% | 0.788 | S | S | * | * | trans | -98.6 | 143.4 | 170 | -82.9 | 66.3 | 0 | 0 | 0 | 109.2 | V35 | V35-L37 HydrophobicContact CG1-CD1 3.7Š| ||
| 38 | N | 30.2 | Very low | 32.4 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | -152.7 | 171.4 | 142.8 | -150.9 | 3.6 | 0 | 0 | 0 | 112.2 | ||||
| 39 | H | 34.5 | Very low | 33.2 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | -134.3 | 133 | -151.8 | -39.6 | 80.9 | 0 | 0 | 0 | 114.2 | ||||
| 40 | G | 29.2 | Very low | 33.2 | Very low | 74 Ų | 74 | 147.5 Ų | 147.5 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | trans | 79.7 | 175.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 41 | P | 44.8 | Very low | 33.4 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | -136.1 | 161.7 | -58.3 | 39.1 | -28.1 | 0 | 0 | 0 | 115 | |||||
| 42 | Q | 33.3 | Very low | 34.1 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 76% | 0.757 | 76% | 0.76 | S | S | * | * | trans | 35.1 | 124.8 | 154 | -87.4 | -78.3 | 20.5 | 0 | 0 | 121.3 | ||||
| 43 | L | 29.8 | Very low | 34.3 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | 176.7 | 147.8 | 110.5 | -94.4 | -179.8 | 0 | 0 | 0 | 115 | |||||
| 44 | H | 32.1 | Very low | 35.1 | Very low | 173 Ų | 173 | 137.5 Ų | 137.5 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | trans | 65.7 | 147.9 | 156.9 | -75.7 | 106.5 | 0 | 0 | 0 | 122.8 | ||||
| 45 | S | 34.8 | Very low | 35.3 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | trans | -99.9 | 152 | 179 | 166.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 46 | H | 34.1 | Very low | 36.1 | Very low | 193 Ų | 193 | 138 Ų | 138 | 89% | 0.894 | 75% | 0.747 | S | S | * | * | trans | -151.7 | 152.2 | 144.3 | -94.6 | -57.6 | 0 | 0 | 0 | 113.7 | ||||
| 47 | Q | 32.4 | Very low | 37 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | trans | -71.6 | 149.7 | -173.8 | -163.9 | 77.3 | 36.4 | 0 | 0 | 113.7 | ||||
| 48 | Y | 29.7 | Very low | 37.9 | Very low | 216 Ų | 216 | 136.4 Ų | 136.4 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | 172.1 | 163.2 | 123.1 | -85.6 | -47.4 | 0 | 0 | 0 | 112.8 | |||||
| 49 | P | 46.5 | Very low | 39.2 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 61% | 0.61 | 75% | 0.747 | S | S | * | * | trans | -130.3 | 136.1 | -146.7 | 36.8 | -17.1 | 0 | 0 | 0 | 115.4 | ||||
| 50 | H | 32.8 | Very low | 40.3 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | trans | -128.2 | 110.7 | 174.3 | -81.2 | -76 | 0 | 0 | 0 | 114.6 | ||||
| 51 | T | 36 | Very low | 41.9 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 61% | 0.607 | 75% | 0.746 | S | S | * | * | trans | 45.6 | 111.5 | 138.8 | 51.5 | 0 | 0 | 0 | 0 | 118.9 | H53 | T51-H53 PolarHBondContact O-CD2 2.88Å; T51-H53 PolarHBondContact O-N 2.94Å | ||
| 52 | A | 42.8 | Very low | 42.6 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | -62.5 | 118.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 53 | H | 38.1 | Very low | 44 | Very low | 154 Ų | 154 | 128 Ų | 128 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | trans | -108.8 | 107.3 | 163.3 | -71.5 | -79.1 | 0 | 0 | 0 | 108.7 | T51 N55 | T51-H53 PolarHBondContact O-CD2 2.88Å; T51-H53 PolarHBondContact O-N 2.94Å; H53-N55 PolarHBondContact O-N 3.25Å | ||
| 54 | T | 45.8 | Very low | 45.8 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 83% | 0.828 | 70% | 0.703 | S | S | * | * | trans | -76.1 | 70.2 | 176.2 | 52.3 | 0 | 0 | 0 | 0 | 110.4 | S56 | T54-S56 VanDerWaalsContact C-N 3.31Å; T54-S56 PolarHBondContact O-N 3.47Å | ||
| 55 | N | 36.5 | Very low | 47.9 | Very low | 125 Ų | 125 | 120.8 Ų | 120.8 | 67% | 0.668 | 69% | 0.69 | S | S | * | * | trans | -70.8 | 90.5 | 169.6 | -92.8 | 5 | 0 | 0 | 0 | 109.2 | H53 M57 | H53-N55 PolarHBondContact O-N 3.25Å; N55-M57 HydrophobicContact CB-CE 4.47Å; N55-M57 PolarHBondContact O-N 3.01Å | ||
| 56 | S | 48.6 | Very low | 50.2 | Low | 116 Ų | 116 | 121.5 Ų | 121.5 | 81% | 0.811 | 69% | 0.686 | S | S | * | * | trans | -66.5 | 83.1 | 163.4 | 54.4 | 0 | 0 | 0 | 0 | 108.9 | T54 | T54-S56 VanDerWaalsContact C-N 3.31Å; T54-S56 PolarHBondContact O-N 3.47Å | ||
| 57 | M | 50.7 | Low | 52.7 | Low | 144 Ų | 144 | 116.2 Ų | 116.2 | 71% | 0.709 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 132.4 | 170.4 | -70 | -65.2 | 179 | 0 | 0 | 108.9 | N55 | N55-M57 HydrophobicContact CB-CE 4.47Å; N55-M57 PolarHBondContact O-N 3.01Å |
| 58 | P | 53.8 | Low | 55.3 | Low | 109 Ų | 109 | 110.4 Ų | 110.4 | 71% | 0.708 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 141.2 | 170.6 | 27.5 | -33.6 | 0 | 0 | 0 | 108.7 | S60 | P58-S60 PolarHBondContact O-N 3.26Š|
| 59 | P | 57.5 | Low | 58.2 | Low | 115 Ų | 115 | 105.3 Ų | 105.3 | 75% | 0.747 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -59 | 129.6 | -178.6 | 24.2 | -33.4 | 0 | 0 | 0 | 109.9 | M61 | P59-M61 PolarHBondContact O-N 2.87Š|
| 60 | S | 57.8 | Low | 60.3 | Low | 91 Ų | 91 | 107 Ų | 107 | 64% | 0.636 | 63% | 0.626 | S | S | * | * | trans | -59.8 | 112.4 | 179.2 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | P58 G62 S63 | P58-S60 PolarHBondContact O-N 3.26Å; S60-G62 PolarHBondContact O-N 3.04Å; S60-S63 WeakPolarHBondContact O-CB 3.4Å; S60-S63 PolarHBondContact O-N 3.07Å | ||
| 61 | M | 61.6 | Low | 63 | Low | 163 Ų | 163 | 106.2 Ų | 106.2 | 80% | 0.803 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.7 | -24.8 | -171.8 | -152.3 | 168.8 | -166.4 | 0 | 0 | 112.3 | P59 S63 S64 V65 | P59-M61 PolarHBondContact O-N 2.87Å; M61-S63 VanDerWaalsContact C-N 3.33Å; M61-S63 PolarHBondContact O-N 3.36Å; M61-S64 PolarHBondContact O-N 3.44Å; M61-V65 WeakPolarHBondContact O-CG2 3.44Å |
| 62 | G | 59.6 | Low | 65.5 | Low | 40 Ų | 40 | 105.6 Ų | 105.6 | 41% | 0.412 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.6 | -21.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | S60 N66 | S60-G62 PolarHBondContact O-N 3.04Å; G62-N66 PolarHBondContact O-ND2 3.22Å |
| 63 | S | 63.1 | Low | 67.8 | Low | 65 Ų | 65 | 106.1 Ų | 106.1 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.4 | -54.7 | 169.3 | -166.5 | 0 | 0 | 0 | 0 | 109.4 | S60 M61 V65 N66 D67 | S60-S63 WeakPolarHBondContact O-CB 3.4Å; S60-S63 PolarHBondContact O-N 3.07Å; M61-S63 VanDerWaalsContact C-N 3.33Å; M61-S63 PolarHBondContact O-N 3.36Å; S63-V65 PolarHBondContact O-N 3.03Å; S63-N66 CarbonylContact O-C 3.51Å; S63-N66 WeakPolarHBondContact O-CA 3.32Å; S63-N66 WeakPolarHBondContact O-CB 3.44Å; S63-N66 PolarHBondContact O-N 2.96Å; S63-D67 PolarHBondContact O-N 3.31Å; S63-D67 PolarHBondContact OG-OD2 3.03Å |
| 64 | S | 67.1 | Low | 70.4 | Confident | 73 Ų | 73 | 103 Ų | 103 | 51% | 0.51 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -57.8 | -27.6 | -173.5 | -52.3 | 0 | 0 | 0 | 0 | 114.2 | M61 A68 | M61-S64 PolarHBondContact O-N 3.44Å; S64-A68 WeakPolarHBondContact O-CB 3.43Å; S64-A68 PolarHBondContact O-N 3.39Å |
| 65 | V | 76.4 | Confident | 72.5 | Confident | 87 Ų | 87 | 98.7 Ų | 98.7 | 53% | 0.527 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -74.8 | -39.7 | 173.7 | -157.2 | 0 | 0 | 0 | 0 | 112 | M61 S63 A68 L69 | M61-V65 WeakPolarHBondContact O-CG2 3.44Å; S63-V65 PolarHBondContact O-N 3.03Å; V65-A68 PolarHBondContact O-N 3.24Å; V65-L69 PolarHBondContact O-N 3.05Å |
| 66 | N | 83.9 | Confident | 75.1 | Confident | 110 Ų | 110 | 95.2 Ų | 95.2 | 59% | 0.588 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.6 | -38.6 | 173.2 | -76.5 | -85 | 0 | 0 | 0 | 111.2 | G62 S63 A68 L69 K70 | G62-N66 PolarHBondContact O-ND2 3.22Å; S63-N66 CarbonylContact O-C 3.51Å; S63-N66 WeakPolarHBondContact O-CA 3.32Å; S63-N66 WeakPolarHBondContact O-CB 3.44Å; S63-N66 PolarHBondContact O-N 2.96Å; N66-A68 PolarHBondContact O-N 2.83Å; N66-L69 PolarHBondContact O-N 2.86Å; N66-K70 VanDerWaalsContact O-CB 3.28Å; N66-K70 WeakPolarHBondContact O-CB 3.42Å; N66-K70 PolarHBondContact O-N 2.89Å |
| 67 | D | 86.6 | Confident | 77.2 | Confident | 82 Ų | 82 | 96.2 Ų | 96.2 | 44% | 0.439 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.5 | -20.9 | 174.2 | -63.1 | -53.3 | 0 | 0 | 0 | 112.6 | S63 R71 | S63-D67 PolarHBondContact O-N 3.31Å; S63-D67 PolarHBondContact OG-OD2 3.03Å; D67-R71 WeakPolarHBondContact O-CG 3.48Å; D67-R71 PolarHBondContact O-NE 3.05Å |
| 68 | A | 87.3 | Confident | 79 | Confident | 25 Ų | 25 | 92.5 Ų | 92.5 | 21% | 0.207 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -78 | -59.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S64 V65 N66 K70 R71 D72 | S64-A68 WeakPolarHBondContact O-CB 3.43Å; S64-A68 PolarHBondContact O-N 3.39Å; V65-A68 PolarHBondContact O-N 3.24Å; N66-A68 PolarHBondContact O-N 2.83Å; A68-K70 PolarHBondContact O-N 3.03Å; A68-R71 WeakPolarHBondContact O-CA 3.25Å; A68-R71 PolarHBondContact O-N 2.72Å; A68-D72 VanDerWaalsContact O-CG 3.25Å; A68-D72 PolarHBondContact O-N 3.43Å |
| 69 | L | 89.1 | Confident | 80.8 | Confident | 108 Ų | 108 | 87.6 Ų | 87.6 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -49.9 | -37.7 | 178.1 | -83.3 | 161.4 | 0 | 0 | 0 | 113 | V65 N66 K73 | V65-L69 PolarHBondContact O-N 3.05Å; N66-L69 PolarHBondContact O-N 2.86Å; L69-K73 WeakPolarHBondContact O-CB 3.41Å; L69-K73 PolarHBondContact O-N 3.22Å |
| 70 | K | 91.8 | Very high | 82.3 | Confident | 130 Ų | 130 | 84 Ų | 84 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66.5 | -44.1 | 175.1 | -176 | 178 | 175.4 | -174.5 | 0 | 112.7 | N66 A68 K73 D74 | N66-K70 VanDerWaalsContact O-CB 3.28Å; N66-K70 WeakPolarHBondContact O-CB 3.42Å; N66-K70 PolarHBondContact O-N 2.89Å; A68-K70 PolarHBondContact O-N 3.03Å; K70-K73 WeakPolarHBondContact O-CB 3.38Å; K70-K73 PolarHBondContact O-N 1.77Å; K70-D74 WeakPolarHBondContact O-CB 3.48Å; K70-D74 PolarHBondContact O-N 2.84Å |
| 71 | R | 88.6 | Confident | 83.9 | Confident | 158 Ų | 158 | 80.5 Ų | 80.5 | 60% | 0.596 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.6 | -39.7 | 177.2 | -71 | 178.9 | -56.4 | 107.9 | 4.4 | 111.7 | D67 A68 D74 A75 | D67-R71 WeakPolarHBondContact O-CG 3.48Å; D67-R71 PolarHBondContact O-NE 3.05Å; A68-R71 WeakPolarHBondContact O-CA 3.25Å; A68-R71 PolarHBondContact O-N 2.72Å; R71-D74 PolarHBondContact O-N 2.78Å; R71-A75 VanDerWaalsContact O-CB 3.32Å; R71-A75 WeakPolarHBondContact O-CB 3.46Å; R71-A75 PolarHBondContact O-N 2.66Å |
| 72 | D | 89.6 | Confident | 85.4 | Confident | 86 Ų | 86 | 75 Ų | 75 | 46% | 0.46 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.6 | -42 | 179.1 | -54 | -28.5 | 0 | 0 | 0 | 110.1 | A68 A75 I76 | A68-D72 VanDerWaalsContact O-CG 3.25Å; A68-D72 PolarHBondContact O-N 3.43Å; D72-A75 PolarHBondContact O-N 2.94Å; D72-I76 WeakPolarHBondContact O-CG1 3.18Å; D72-I76 PolarHBondContact O-N 3.4Å; D72-I76 VanDerWaalsContact O-N 3.09Å |
| 73 | K | 91.2 | Very high | 86.9 | Confident | 113 Ų | 113 | 76.8 Ų | 76.8 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.8 | -56.9 | 168.3 | 176.4 | -179.5 | 171.4 | 175.2 | 0 | 111.6 | L69 K70 A75 I76 Y77 | L69-K73 WeakPolarHBondContact O-CB 3.41Å; L69-K73 PolarHBondContact O-N 3.22Å; K70-K73 WeakPolarHBondContact O-CB 3.38Å; K70-K73 PolarHBondContact O-N 1.77Å; K73-A75 PolarHBondContact O-N 2.97Å; K73-I76 WeakPolarHBondContact O-CB 3.32Å; K73-I76 PolarHBondContact O-N 3.25Å; K73-Y77 HydrophobicContact CD-CD2 4.5Å; K73-Y77 HydrophobicContact CD-CE2 4.13Å; K73-Y77 VanDerWaalsContact CE-CE2 3.44Å; K73-Y77 HydrophobicContact CG-CD2 3.63Å; K73-Y77 HydrophobicContact CG-CE2 3.59Å; K73-Y77 WeakPolarHBondContact O-CD2 3.48Å; K73-Y77 PolarHBondContact O-N 3.13Å |
| 74 | D | 91.4 | Very high | 88.4 | Confident | 87 Ų | 87 | 74.4 Ų | 74.4 | 47% | 0.465 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.5 | -31.6 | -176.3 | -67.6 | -16.9 | 0 | 0 | 0 | 111.4 | K70 R71 G78 | K70-D74 WeakPolarHBondContact O-CB 3.48Å; K70-D74 PolarHBondContact O-N 2.84Å; R71-D74 PolarHBondContact O-N 2.78Å; D74-G78 PolarHBondContact O-N 3.22Å |
| 75 | A | 90.9 | Very high | 89.7 | Confident | 45 Ų | 45 | 72.2 Ų | 72.2 | 37% | 0.372 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R71 D72 K73 H79 L139 | R71-A75 VanDerWaalsContact O-CB 3.32Å; R71-A75 WeakPolarHBondContact O-CB 3.46Å; R71-A75 PolarHBondContact O-N 2.66Å; D72-A75 PolarHBondContact O-N 2.94Å; K73-A75 PolarHBondContact O-N 2.97Å; A75-H79 PolarHBondContact O-N 3.46Å; A75-L139 HydrophobicContact CB-CD2 4.06Å |
| 76 | I | 91.4 | Very high | 90.5 | Very high | 52 Ų | 52 | 70 Ų | 70 | 27% | 0.267 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 173.7 | -70.2 | 162.1 | 0 | 0 | 0 | 110.7 | D72 K73 G78 H79 F82 L139 M143 | D72-I76 WeakPolarHBondContact O-CG1 3.18Å; D72-I76 PolarHBondContact O-N 3.4Å; D72-I76 VanDerWaalsContact O-N 3.09Å; K73-I76 WeakPolarHBondContact O-CB 3.32Å; K73-I76 PolarHBondContact O-N 3.25Å; I76-G78 VanDerWaalsContact C-N 3.28Å; I76-G78 PolarHBondContact O-N 3.08Å; I76-H79 VanDerWaalsContact O-CB 3.26Å; I76-H79 WeakPolarHBondContact O-CB 3.48Å; I76-H79 PolarHBondContact O-N 3.22Å; I76-H79 VanDerWaalsContact O-N 3.15Å; I76-F82 HydrophobicContact CG2-CD2 4.04Å; I76-F82 HydrophobicContact CG2-CE2 4.33Å; I76-F82 WeakPolarHBondContact O-CB 2.97Å; I76-F82 WeakPolarHBondContact O-CD2 3.37Å; I76-L139 HydrophobicContact CG1-CD1 3.76Å; I76-M143 HydrophobicContact CG2-SD 4.03Å |
| 77 | Y | 91.3 | Very high | 91 | Very high | 138 Ų | 138 | 67.2 Ų | 67.2 | 54% | 0.541 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.1 | -29.1 | 178.4 | -79.4 | -85.7 | 0 | 0 | 0 | 113 | K73 H79 F82 | K73-Y77 HydrophobicContact CD-CD2 4.5Å; K73-Y77 HydrophobicContact CD-CE2 4.13Å; K73-Y77 VanDerWaalsContact CE-CE2 3.44Å; K73-Y77 HydrophobicContact CG-CD2 3.63Å; K73-Y77 HydrophobicContact CG-CE2 3.59Å; K73-Y77 WeakPolarHBondContact O-CD2 3.48Å; K73-Y77 PolarHBondContact O-N 3.13Å; Y77-H79 VanDerWaalsContact C-N 3.33Å; Y77-F82 HydrophobicContact CD1-CD1 4.37Å; Y77-F82 HydrophobicContact CD1-CD2 4.42Å; Y77-F82 AromaticContact CD1-CE1 3.68Å; Y77-F82 HydrophobicContact CD1-CE1 3.68Å; Y77-F82 AromaticContact CD1-CE2 3.73Å; Y77-F82 HydrophobicContact CD1-CE2 3.73Å; Y77-F82 AromaticContact CD1-CZ 3.33Å; Y77-F82 HydrophobicContact CD1-CZ 3.33Å; Y77-F82 HydrophobicContact CE1-CE1 4.01Å; Y77-F82 AromaticContact CE1-CE2 3.85Å; Y77-F82 HydrophobicContact CE1-CE2 3.85Å; Y77-F82 AromaticContact CE1-CZ 3.32Å; Y77-F82 HydrophobicContact CE1-CZ 3.32Å; Y77-F82 HydrophobicContact CG-CE2 4.22Å; Y77-F82 HydrophobicContact CG-CZ 4.25Å |
| 78 | G | 89.1 | Confident | 91.3 | Very high | 66 Ų | 66 | 63.3 Ų | 63.3 | 68% | 0.68 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -1.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D74 I76 | D74-G78 PolarHBondContact O-N 3.22Å; I76-G78 VanDerWaalsContact C-N 3.28Å; I76-G78 PolarHBondContact O-N 3.08Å |
| 79 | H | 90.6 | Very high | 91.6 | Very high | 6 Ų | 6 | 67.9 Ų | 67.9 | 3% | 0.028 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -77.4 | 138.8 | -174.5 | -166 | -88.9 | 0 | 0 | 0 | 112.1 | A75 I76 Y77 L81 F82 S134 D140 M143 | A75-H79 PolarHBondContact O-N 3.46Å; I76-H79 VanDerWaalsContact O-CB 3.26Å; I76-H79 WeakPolarHBondContact O-CB 3.48Å; I76-H79 PolarHBondContact O-N 3.22Å; I76-H79 VanDerWaalsContact O-N 3.15Å; Y77-H79 VanDerWaalsContact C-N 3.33Å; H79-L81 VanDerWaalsContact CE1-CB 3.49Å; H79-L81 WeakPolarHBondContact CE1-CB 3.48Å; H79-L81 WeakPolarHBondContact CE1-CD1 3.16Å; H79-L81 WeakPolarHBondContact CE1-CG 3.35Å; H79-L81 WeakPolarHBondContact ND1-CB 3.24Å; H79-L81 PolarHBondContact ND1-N 2.94Å; H79-L81 PolarHBondContact O-N 3.47Å; H79-L81 VanDerWaalsContact O-N 3.13Å; H79-F82 WeakPolarHBondContact O-CB 2.95Å; H79-F82 PolarHBondContact O-N 2.85Å; H79-S134 WeakPolarHBondContact NE2-CB 3.48Å; H79-S134 PolarHBondContact NE2-OG 2.89Å; H79-D140 IonicContact CD2-OD1 3.92Å; H79-D140 IonicContact CE1-OD1 3.89Å; H79-D140 WeakPolarHBondContact NE2-CA 3.44Å; H79-D140 WeakPolarHBondContact NE2-CB 3.49Å; H79-D140 PolarHBondContact NE2-N 3.09Å; H79-D140 CovalentContact NE2-OD1 1.77Å; H79-D140 IonicContact NE2-OD1 2.69Å; H79-D140 PolarHBondContact NE2-OD1 3.41Å; H79-D140 IonicContact NE2-OD2 3.77Å; H79-M143 HydrophobicContact CB-CE 4.09Å; H79-M143 HydrophobicContact CB-CG 4.44Å |
| 80 | P | 89.3 | Confident | 91.7 | Very high | 39 Ų | 39 | 68.3 Ų | 68.3 | 25% | 0.253 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.7 | 179.4 | 21.1 | -33.7 | 0 | 0 | 0 | 114 | F82 P83 F122 I126 L132 | P80-F82 VanDerWaalsContact C-N 3.33Å; P80-P83 WeakPolarHBondContact O-CD 3.28Å; P80-F122 WeakPolarHBondContact O-CZ 3.44Å; P80-I126 HydrophobicContact CB-CD1 4.1Å; P80-I126 WeakPolarHBondContact O-CD1 3.2Å; P80-L132 WeakPolarHBondContact CG-O 3.44Å |
| 81 | L | 91.6 | Very high | 91.6 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -5 | 177.2 | -57.8 | -178.9 | 0 | 0 | 0 | 114.2 | H79 L84 L85 F122 M143 I144 I147 | H79-L81 VanDerWaalsContact CE1-CB 3.49Å; H79-L81 WeakPolarHBondContact CE1-CB 3.48Å; H79-L81 WeakPolarHBondContact CE1-CD1 3.16Å; H79-L81 WeakPolarHBondContact CE1-CG 3.35Å; H79-L81 WeakPolarHBondContact ND1-CB 3.24Å; H79-L81 PolarHBondContact ND1-N 2.94Å; H79-L81 PolarHBondContact O-N 3.47Å; H79-L81 VanDerWaalsContact O-N 3.13Å; L81-L84 PolarHBondContact O-N 2.95Å; L81-L85 PolarHBondContact O-N 3.35Å; L81-L85 VanDerWaalsContact O-N 3.07Å; L81-F122 HydrophobicContact CD2-CE1 3.82Å; L81-F122 HydrophobicContact CD2-CZ 4.03Å; L81-M143 HydrophobicContact CB-CB 4.26Å; L81-M143 HydrophobicContact CB-CE 4.2Å; L81-M143 HydrophobicContact CD1-CB 4.14Å; L81-I144 HydrophobicContact CD1-CG1 3.72Å; L81-I147 HydrophobicContact CB-CD1 4.02Å |
| 82 | F | 92.8 | Very high | 91.7 | Very high | 48 Ų | 48 | 56 Ų | 56 | 21% | 0.211 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58 | -42.8 | -177.2 | -176 | -94.3 | 0 | 0 | 0 | 114.5 | I76 Y77 H79 P80 L84 L85 A86 M143 | I76-F82 HydrophobicContact CG2-CD2 4.04Å; I76-F82 HydrophobicContact CG2-CE2 4.33Å; I76-F82 WeakPolarHBondContact O-CB 2.97Å; I76-F82 WeakPolarHBondContact O-CD2 3.37Å; Y77-F82 HydrophobicContact CD1-CD1 4.37Å; Y77-F82 HydrophobicContact CD1-CD2 4.42Å; Y77-F82 AromaticContact CD1-CE1 3.68Å; Y77-F82 HydrophobicContact CD1-CE1 3.68Å; Y77-F82 AromaticContact CD1-CE2 3.73Å; Y77-F82 HydrophobicContact CD1-CE2 3.73Å; Y77-F82 AromaticContact CD1-CZ 3.33Å; Y77-F82 HydrophobicContact CD1-CZ 3.33Å; Y77-F82 HydrophobicContact CE1-CE1 4.01Å; Y77-F82 AromaticContact CE1-CE2 3.85Å; Y77-F82 HydrophobicContact CE1-CE2 3.85Å; Y77-F82 AromaticContact CE1-CZ 3.32Å; Y77-F82 HydrophobicContact CE1-CZ 3.32Å; Y77-F82 HydrophobicContact CG-CE2 4.22Å; Y77-F82 HydrophobicContact CG-CZ 4.25Å; H79-F82 WeakPolarHBondContact O-CB 2.95Å; H79-F82 PolarHBondContact O-N 2.85Å; P80-F82 VanDerWaalsContact C-N 3.33Å; F82-L84 VanDerWaalsContact C-N 3.28Å; F82-L84 PolarHBondContact O-N 3.05Å; F82-L85 PolarHBondContact O-N 2.87Å; F82-L85 VanDerWaalsContact O-N 3.16Å; F82-A86 HydrophobicContact CE1-CB 4.19Å; F82-A86 HydrophobicContact CZ-CB 4.35Å; F82-A86 PolarHBondContact O-N 2.82Å; F82-M143 HydrophobicContact CB-CE 4.14Å; F82-M143 HydrophobicContact CD2-CE 4.44Å |
| 83 | P | 92.7 | Very high | 91.8 | Very high | 77 Ų | 77 | 57 Ų | 57 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 178.8 | -22.9 | 34.6 | 0 | 0 | 0 | 113 | P80 L87 F122 | P80-P83 WeakPolarHBondContact O-CD 3.28Å; P83-L87 VanDerWaalsContact O-CB 3.31Å; P83-L87 WeakPolarHBondContact O-CB 3.49Å; P83-L87 PolarHBondContact O-N 3.06Å; P83-F122 HydrophobicContact CB-CE2 4.17Å; P83-F122 HydrophobicContact CG-CE2 4.43Å |
| 84 | L | 93.3 | Very high | 91.6 | Very high | 14 Ų | 14 | 55.1 Ų | 55.1 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -73.1 | -35.1 | 176.6 | -172.6 | 65.6 | 0 | 0 | 0 | 111.9 | L81 F82 I88 F115 I119 F122 I147 | L81-L84 PolarHBondContact O-N 2.95Å; F82-L84 VanDerWaalsContact C-N 3.28Å; F82-L84 PolarHBondContact O-N 3.05Å; L84-I88 WeakPolarHBondContact O-CG2 3.46Å; L84-I88 PolarHBondContact O-N 3.44Å; L84-F115 HydrophobicContact CD1-CE2 3.64Å; L84-F115 HydrophobicContact CD1-CZ 3.83Å; L84-F115 HydrophobicContact CG-CE2 4.43Å; L84-F115 HydrophobicContact CG-CZ 4.25Å; L84-I119 HydrophobicContact CD1-CG1 4.07Å; L84-I119 HydrophobicContact CD2-CG1 4.3Å; L84-F122 HydrophobicContact CB-CD1 4.11Å; L84-F122 HydrophobicContact CB-CD2 4.04Å; L84-F122 HydrophobicContact CB-CE1 3.94Å; L84-F122 HydrophobicContact CB-CE2 3.87Å; L84-F122 HydrophobicContact CB-CG 4.15Å; L84-F122 HydrophobicContact CB-CZ 3.8Å; L84-F122 HydrophobicContact CD1-CB 4.36Å; L84-F122 HydrophobicContact CD1-CD1 4.45Å; L84-F122 HydrophobicContact CD1-CG 4.28Å; L84-F122 HydrophobicContact CD2-CD1 3.76Å; L84-F122 HydrophobicContact CD2-CE1 3.86Å; L84-F122 HydrophobicContact CD2-CG 4.38Å; L84-F122 HydrophobicContact CG-CD1 4.34Å; L84-F122 HydrophobicContact CG-CE1 4.47Å; L84-I147 HydrophobicContact CB-CD1 4.32Å; L84-I147 HydrophobicContact CD2-CD1 4.21Å; L84-I147 HydrophobicContact CD2-CG2 4.38Å; L84-I147 HydrophobicContact CG-CD1 4.32Å |
| 85 | L | 94.4 | Very high | 91.4 | Very high | 28 Ų | 28 | 51.1 Ų | 51.1 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 172.8 | 179.4 | 62.9 | 0 | 0 | 0 | 112.1 | L81 F82 I88 F89 M143 A146 I147 L150 | L81-L85 PolarHBondContact O-N 3.35Å; L81-L85 VanDerWaalsContact O-N 3.07Å; F82-L85 PolarHBondContact O-N 2.87Å; F82-L85 VanDerWaalsContact O-N 3.16Å; L85-I88 WeakPolarHBondContact O-CG2 3.3Å; L85-F89 WeakPolarHBondContact O-CB 3.45Å; L85-F89 PolarHBondContact O-N 3.24Å; L85-M143 HydrophobicContact CB-CE 4.07Å; L85-M143 HydrophobicContact CD2-CE 3.57Å; L85-M143 HydrophobicContact CD2-SD 3.76Å; L85-M143 HydrophobicContact CG-CE 4.47Å; L85-A146 HydrophobicContact CD1-CB 3.78Å; L85-I147 HydrophobicContact CB-CD1 4.24Å; L85-I147 HydrophobicContact CB-CG1 3.97Å; L85-I147 HydrophobicContact CD1-CG1 3.95Å; L85-L150 HydrophobicContact CD1-CD1 3.76Å |
| 86 | A | 94.6 | Very high | 91.1 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66 | -47.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | F82 I88 F89 E90 | F82-A86 HydrophobicContact CE1-CB 4.19Å; F82-A86 HydrophobicContact CZ-CB 4.35Å; F82-A86 PolarHBondContact O-N 2.82Å; A86-I88 PolarHBondContact O-N 3.39Å; A86-F89 WeakPolarHBondContact O-CB 3.39Å; A86-F89 PolarHBondContact O-N 3.36Å; A86-E90 PolarHBondContact O-N 3.42Å |
| 87 | L | 92.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | -179 | -174.1 | 154.8 | 0 | 0 | 0 | 112.6 | P83 K91 F115 D118 | P83-L87 VanDerWaalsContact O-CB 3.31Å; P83-L87 WeakPolarHBondContact O-CB 3.49Å; P83-L87 PolarHBondContact O-N 3.06Å; L87-K91 HydrophobicContact CD2-CD 4.22Å; L87-K91 PolarHBondContact O-N 3.49Å; L87-F115 HydrophobicContact CD2-CD2 3.7Å; L87-F115 HydrophobicContact CD2-CE2 3.79Å; L87-D118 HydrophobicContact CD1-CB 4.24Å; L87-D118 HydrophobicContact CD2-CB 3.78Å |
| 88 | I | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.3 | -33 | 176.8 | -158.2 | -178.3 | 0 | 0 | 0 | 112.3 | L84 L85 A86 C92 F115 I147 L150 R151 | L84-I88 WeakPolarHBondContact O-CG2 3.46Å; L84-I88 PolarHBondContact O-N 3.44Å; L85-I88 WeakPolarHBondContact O-CG2 3.3Å; A86-I88 PolarHBondContact O-N 3.39Å; I88-C92 PolarHBondContact O-N 3.36Å; I88-C92 VanDerWaalsContact O-N 3.07Å; I88-C92 PolarHBondContact O-SG 3.15Å; I88-F115 HydrophobicContact CB-CD2 4.34Å; I88-F115 HydrophobicContact CB-CE1 4.35Å; I88-F115 HydrophobicContact CB-CE2 3.61Å; I88-F115 HydrophobicContact CB-CZ 3.63Å; I88-F115 HydrophobicContact CD1-CD1 3.96Å; I88-F115 HydrophobicContact CD1-CE1 3.25Å; I88-F115 HydrophobicContact CD1-CE2 4.12Å; I88-F115 HydrophobicContact CD1-CZ 3.38Å; I88-F115 HydrophobicContact CG1-CD1 4.17Å; I88-F115 HydrophobicContact CG1-CD2 4.17Å; I88-F115 HydrophobicContact CG1-CE1 3.75Å; I88-F115 HydrophobicContact CG1-CE2 3.77Å; I88-F115 HydrophobicContact CG1-CG 4.38Å; I88-F115 HydrophobicContact CG1-CZ 3.56Å; I88-I147 HydrophobicContact CD1-CG2 4.43Å; I88-I147 WeakPolarHBondContact CD1-O 3.4Å; I88-L150 HydrophobicContact CD1-CB 3.87Å; I88-L150 HydrophobicContact CG1-CB 4.18Å; I88-L150 HydrophobicContact CG2-CB 3.89Å; I88-L150 HydrophobicContact CG2-CD1 3.82Å; I88-R151 HydrophobicContact CD1-CB 3.67Å; I88-R151 HydrophobicContact CD1-CG 4.45Å; I88-R151 VanDerWaalsContact CD1-N 3.27Å |
| 89 | F | 93.4 | Very high | 87.5 | Confident | 121 Ų | 121 | 53.3 Ų | 53.3 | 53% | 0.531 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.8 | -46.1 | 173.8 | -175 | -86.9 | 0 | 0 | 0 | 111.1 | L85 A86 K91 C92 E93 L150 | L85-F89 WeakPolarHBondContact O-CB 3.45Å; L85-F89 PolarHBondContact O-N 3.24Å; A86-F89 WeakPolarHBondContact O-CB 3.39Å; A86-F89 PolarHBondContact O-N 3.36Å; F89-K91 PolarHBondContact O-N 2.91Å; F89-C92 WeakPolarHBondContact O-CB 3.26Å; F89-C92 PolarHBondContact O-N 3.48Å; F89-C92 VanDerWaalsContact O-N 3.07Å; F89-E93 PolarHBondContact O-N 3.38Å; F89-L150 HydrophobicContact CB-CD1 4.31Å; F89-L150 HydrophobicContact CD2-CD1 4.34Å |
| 90 | E | 91.5 | Very high | 86 | Confident | 117 Ų | 117 | 58.6 Ų | 58.6 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 175 | -177.2 | 176.2 | -166.2 | 0 | 0 | 111.9 | A86 C92 E93 L94 | A86-E90 PolarHBondContact O-N 3.42Å; E90-C92 VanDerWaalsContact C-N 3.34Å; E90-C92 PolarHBondContact O-N 2.93Å; E90-E93 PolarHBondContact O-N 2.99Å; E90-L94 HydrophobicContact CG-CD1 4.05Å; E90-L94 HydrophobicContact CG-CG 4.48Å; E90-L94 WeakPolarHBondContact O-CB 3.23Å; E90-L94 VanDerWaalsContact O-CG 3.3Å; E90-L94 WeakPolarHBondContact O-CG 3.49Å; E90-L94 PolarHBondContact O-N 3.35Å |
| 91 | K | 90.3 | Very high | 84.1 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 10% | 0.096 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 172.9 | -76.9 | -174.7 | -169.4 | -95.4 | 0 | 113.2 | L87 F89 A95 V109 S114 F115 D118 L154 | L87-K91 HydrophobicContact CD2-CD 4.22Å; L87-K91 PolarHBondContact O-N 3.49Å; F89-K91 PolarHBondContact O-N 2.91Å; K91-A95 WeakPolarHBondContact O-CB 3.22Å; K91-A95 PolarHBondContact O-N 3.29Å; K91-V109 PolarHBondContact NZ-O 2.69Å; K91-S114 PolarHBondContact NZ-OG 3.01Å; K91-F115 HydrophobicContact CD-CB 3.98Å; K91-F115 HydrophobicContact CD-CD2 4.08Å; K91-F115 HydrophobicContact CD-CG 4.39Å; K91-D118 WeakPolarHBondContact CE-OD2 3.21Å; K91-D118 IonicContact NZ-OD2 3.93Å; K91-D118 PolarHBondContact NZ-OD2 3.21Å; K91-L154 HydrophobicContact CB-CD1 4.2Å; K91-L154 HydrophobicContact CB-CD2 4.17Å; K91-L154 HydrophobicContact CD-CD2 4.28Å |
| 92 | C | 91.4 | Very high | 82 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 5% | 0.054 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 175.3 | -65.9 | 0 | 0 | 0 | 0 | 111.3 | I88 F89 E90 A95 T96 | I88-C92 PolarHBondContact O-N 3.36Å; I88-C92 VanDerWaalsContact O-N 3.07Å; I88-C92 PolarHBondContact O-SG 3.15Å; F89-C92 WeakPolarHBondContact O-CB 3.26Å; F89-C92 PolarHBondContact O-N 3.48Å; F89-C92 VanDerWaalsContact O-N 3.07Å; E90-C92 VanDerWaalsContact C-N 3.34Å; E90-C92 PolarHBondContact O-N 2.93Å; C92-A95 PolarHBondContact O-N 2.9Å; C92-T96 WeakPolarHBondContact O-CG2 3.47Å; C92-T96 PolarHBondContact O-N 3.15Å; C92-T96 PolarHBondContact O-OG1 3.22Å |
| 93 | E | 90.1 | Very high | 80 | Confident | 106 Ų | 106 | 70.1 Ų | 70.1 | 50% | 0.495 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.3 | -52.5 | 176.1 | -174.8 | 168.5 | -166.2 | 0 | 0 | 110.9 | F89 E90 A95 T96 C97 | F89-E93 PolarHBondContact O-N 3.38Å; E90-E93 PolarHBondContact O-N 2.99Å; E93-A95 VanDerWaalsContact C-N 3.3Å; E93-A95 PolarHBondContact O-N 3.08Å; E93-T96 CarbonylContact O-C 3.59Å; E93-T96 PolarHBondContact O-N 3.44Å; E93-T96 PolarHBondContact O-OG1 2.96Å; E93-C97 WeakPolarHBondContact O-CB 3.16Å; E93-C97 PolarHBondContact O-N 3.13Å; E93-C97 PolarHBondContact O-SG 2.98Å; E93-C97 VanDerWaalsContact O-SG 3.32Å |
| 94 | L | 87.5 | Confident | 77.9 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 38% | 0.382 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -58.6 | -38 | 176.3 | -69.3 | 171.9 | 0 | 0 | 0 | 112.9 | E90 C97 T98 C110 | E90-L94 HydrophobicContact CG-CD1 4.05Å; E90-L94 HydrophobicContact CG-CG 4.48Å; E90-L94 WeakPolarHBondContact O-CB 3.23Å; E90-L94 VanDerWaalsContact O-CG 3.3Å; E90-L94 WeakPolarHBondContact O-CG 3.49Å; E90-L94 PolarHBondContact O-N 3.35Å; L94-C97 PolarHBondContact O-N 3Å; L94-T98 WeakPolarHBondContact O-CB 3.41Å; L94-T98 WeakPolarHBondContact O-CG2 3.33Å; L94-T98 PolarHBondContact O-N 3.38Å; L94-T98 VanDerWaalsContact O-N 3.15Å; L94-T98 PolarHBondContact O-OG1 3.1Å; L94-C110 VanDerWaalsContact CB-SG 3.57Å |
| 95 | A | 86.4 | Confident | 75.5 | Confident | 3 Ų | 3 | 76 Ų | 76 | 3% | 0.025 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | K91 C92 E93 C110 L154 L157 H161 | K91-A95 WeakPolarHBondContact O-CB 3.22Å; K91-A95 PolarHBondContact O-N 3.29Å; C92-A95 PolarHBondContact O-N 2.9Å; E93-A95 VanDerWaalsContact C-N 3.3Å; E93-A95 PolarHBondContact O-N 3.08Å; A95-C110 HydrophobicContact CB-CB 4.05Å; A95-L154 HydrophobicContact CB-CD1 4.04Å; A95-L157 HydrophobicContact CB-CB 4.28Å; A95-L157 HydrophobicContact CB-CD1 3.81Å; A95-H161 PolarHBondContact O-CE1 3.31Å; A95-H161 PolarHBondContact O-NE2 3.13Å |
| 96 | T | 86.3 | Confident | 73.2 | Confident | 90 Ų | 90 | 76.4 Ų | 76.4 | 55% | 0.552 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -76 | -23.6 | 175.3 | 59.5 | 0 | 0 | 0 | 0 | 114 | C92 E93 L157 | C92-T96 WeakPolarHBondContact O-CG2 3.47Å; C92-T96 PolarHBondContact O-N 3.15Å; C92-T96 PolarHBondContact O-OG1 3.22Å; E93-T96 CarbonylContact O-C 3.59Å; E93-T96 PolarHBondContact O-N 3.44Å; E93-T96 PolarHBondContact O-OG1 2.96Å; T96-L157 HydrophobicContact CG2-CD1 3.84Å; T96-L157 HydrophobicContact CG2-CD2 4.02Å |
| 97 | C | 76 | Confident | 71.3 | Confident | 85 Ų | 85 | 75.8 Ų | 75.8 | 57% | 0.574 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -92 | -18.7 | -174 | -74.9 | 0 | 0 | 0 | 0 | 115 | E93 L94 P99 | E93-C97 WeakPolarHBondContact O-CB 3.16Å; E93-C97 PolarHBondContact O-N 3.13Å; E93-C97 PolarHBondContact O-SG 2.98Å; E93-C97 VanDerWaalsContact O-SG 3.32Å; L94-C97 PolarHBondContact O-N 3Å; C97-P99 VanDerWaalsContact O-CD 3.27Å; C97-P99 WeakPolarHBondContact O-CD 3.28Å |
| 98 | T | 62.8 | Low | 69.6 | Low | 71 Ų | 71 | 78.9 Ų | 78.9 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | trans | -82 | 117.9 | -167.9 | 31.8 | 0 | 0 | 0 | 0 | 114 | L94 R100 | L94-T98 WeakPolarHBondContact O-CB 3.41Å; L94-T98 WeakPolarHBondContact O-CG2 3.33Å; L94-T98 PolarHBondContact O-N 3.38Å; L94-T98 VanDerWaalsContact O-N 3.15Å; L94-T98 PolarHBondContact O-OG1 3.1Å; T98-R100 PolarHBondContact O-N 3.04Å | ||
| 99 | P | 57.1 | Low | 68.3 | Low | 102 Ų | 102 | 82.8 Ų | 82.8 | 66% | 0.662 | 49% | 0.494 | S | S | * | . | trans | -67.2 | 121.3 | 149.7 | -2.6 | 21.2 | 0 | 0 | 0 | 106.5 | C97 E101 | C97-P99 VanDerWaalsContact O-CD 3.27Å; C97-P99 WeakPolarHBondContact O-CD 3.28Å; P99-E101 PolarHBondContact O-N 2.89Å | ||
| 100 | R | 58.9 | Low | 67.2 | Low | 117 Ų | 117 | 78.1 Ų | 78.1 | 44% | 0.442 | 48% | 0.477 | S | S | . | . | trans | -75.8 | 74.7 | -179.2 | -148.3 | 175.7 | -155.7 | -178 | 8.9 | 110.1 | T98 P102 G107 D165 | T98-R100 PolarHBondContact O-N 3.04Å; R100-P102 WeakPolarHBondContact O-CD 3.49Å; R100-P102 VanDerWaalsContact O-N 3.15Å; R100-G107 PolarHBondContact NH2-O 3.49Å; R100-D165 IonicContact CZ-OD2 3.9Å; R100-D165 IonicContact NE-OD2 2.64Å; R100-D165 IonicContact NH1-OD2 1.77Å; R100-D165 PolarHBondContact NH1-OD2 3.43Å | ||
| 101 | E | 49.7 | Very low | 66.5 | Low | 140 Ų | 140 | 73.2 Ų | 73.2 | 65% | 0.654 | 46% | 0.455 | S | S | * | . | trans | -52.4 | 113.8 | -179.5 | -87.2 | -64.7 | 113.1 | 0 | 0 | 110.7 | P99 G103 V104 | P99-E101 PolarHBondContact O-N 2.89Å; E101-G103 VanDerWaalsContact C-N 3.3Å; E101-G103 PolarHBondContact O-N 3.22Å; E101-V104 PolarHBondContact O-N 3.49Å | ||
| 102 | P | 45.9 | Very low | 65.8 | Low | 128 Ų | 128 | 73.2 Ų | 73.2 | 83% | 0.831 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 74.9 | -164.3 | 32.2 | -36.6 | 0 | 0 | 0 | 111.9 | R100 | R100-P102 WeakPolarHBondContact O-CD 3.49Å; R100-P102 VanDerWaalsContact O-N 3.15Å |
| 103 | G | 51.2 | Low | 65.4 | Low | 78 Ų | 78 | 80.3 Ų | 80.3 | 80% | 0.804 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 172.6 | -18.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E101 | E101-G103 VanDerWaalsContact C-N 3.3Å; E101-G103 PolarHBondContact O-N 3.22Å |
| 104 | V | 48.2 | Very low | 65.1 | Low | 115 Ų | 115 | 76.5 Ų | 76.5 | 70% | 0.697 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -83 | 136.7 | 174.3 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | E101 G106 | E101-V104 PolarHBondContact O-N 3.49Å; V104-G106 PolarHBondContact O-N 3.05Å |
| 105 | A | 44.1 | Very low | 65.1 | Low | 101 Ų | 101 | 73 Ų | 73 | 84% | 0.835 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -72.8 | 42.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 106 | G | 45.4 | Very low | 65.2 | Low | 36 Ų | 36 | 75.9 Ų | 75.9 | 37% | 0.371 | 47% | 0.472 | S | S | . | . | trans | -93.1 | 9.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V104 D108 V109 | V104-G106 PolarHBondContact O-N 3.05Å; G106-D108 VanDerWaalsContact C-N 3.27Å; G106-D108 PolarHBondContact O-N 3.12Å; G106-V109 PolarHBondContact O-N 2.94Å | ||
| 107 | G | 54.2 | Low | 65.4 | Low | 26 Ų | 26 | 78.1 Ų | 78.1 | 27% | 0.268 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -41.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R100 | R100-G107 PolarHBondContact NH2-O 3.49Š|
| 108 | D | 58.8 | Low | 66.1 | Low | 117 Ų | 117 | 76.3 Ų | 76.3 | 63% | 0.626 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -10.4 | -170.7 | -47.6 | -62.7 | 0 | 0 | 0 | 114.3 | G106 C110 S111 S114 | G106-D108 VanDerWaalsContact C-N 3.27Å; G106-D108 PolarHBondContact O-N 3.12Å; D108-C110 PolarHBondContact O-N 3.07Å; D108-C110 VanDerWaalsContact O-N 3.15Å; D108-S111 WeakPolarHBondContact O-CB 3.43Å; D108-S111 PolarHBondContact O-N 3.22Å; D108-S114 VanDerWaalsContact O-CB 3.28Å; D108-S114 WeakPolarHBondContact O-CB 3.35Å; D108-S114 PolarHBondContact O-OG 3.39Å |
| 109 | V | 65.1 | Low | 67.3 | Low | 83 Ų | 83 | 75.6 Ų | 75.6 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -36.1 | -173.2 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | K91 G106 S114 | K91-V109 PolarHBondContact NZ-O 2.69Å; G106-V109 PolarHBondContact O-N 2.94Å; V109-S114 PolarHBondContact O-OG 3.04Å |
| 110 | C | 70.3 | Confident | 68.9 | Low | 23 Ų | 23 | 72.7 Ų | 72.7 | 16% | 0.155 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 10.4 | 178.1 | -58.7 | 0 | 0 | 0 | 0 | 113.6 | L94 A95 D108 L154 | L94-C110 VanDerWaalsContact CB-SG 3.57Å; A95-C110 HydrophobicContact CB-CB 4.05Å; D108-C110 PolarHBondContact O-N 3.07Å; D108-C110 VanDerWaalsContact O-N 3.15Å; C110-L154 WeakPolarHBondContact O-CD1 3.45Å |
| 111 | S | 77.8 | Confident | 70.4 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 9% | 0.091 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -76 | 153.7 | 178 | -88.5 | 0 | 0 | 0 | 0 | 112.6 | D108 E113 S114 F115 E158 | D108-S111 WeakPolarHBondContact O-CB 3.43Å; D108-S111 PolarHBondContact O-N 3.22Å; S111-E113 PolarHBondContact O-N 2.86Å; S111-S114 PolarHBondContact O-N 3.23Å; S111-S114 PolarHBondContact O-OG 3.27Å; S111-S114 VanDerWaalsContact O-OG 3.09Å; S111-F115 PolarHBondContact O-N 3.4Å; S111-E158 WeakPolarHBondContact CA-OE1 3.43Å; S111-E158 WeakPolarHBondContact CB-OE1 3.47Å; S111-E158 PolarHBondContact OG-OE1 3.49Å |
| 112 | S | 75.7 | Confident | 72.2 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 15% | 0.154 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.2 | -22.9 | 178.1 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | N116 L155 E158 | S112-N116 PolarHBondContact O-N 3.49Å; S112-N116 PolarHBondContact O-ND2 2.78Å; S112-L155 VanDerWaalsContact CB-CD2 3.41Å; S112-L155 VanDerWaalsContact OG-CD2 3.32Å; S112-L155 WeakPolarHBondContact OG-CD2 3.32Å; S112-E158 WeakPolarHBondContact CB-OE2 3.34Å; S112-E158 PolarHBondContact N-OE1 3.45Å; S112-E158 PolarHBondContact N-OE2 3.32Å; S112-E158 VanDerWaalsContact N-OE2 3.13Å; S112-E158 PolarHBondContact OG-OE2 2.96Å |
| 113 | E | 82.3 | Confident | 74.2 | Confident | 158 Ų | 158 | 61.4 Ų | 61.4 | 74% | 0.738 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -68.7 | -45.8 | 175.3 | -171.7 | 151.8 | 106.8 | 0 | 0 | 112.6 | S111 F115 N116 E117 | S111-E113 PolarHBondContact O-N 2.86Å; E113-F115 VanDerWaalsContact C-N 3.28Å; E113-F115 PolarHBondContact O-N 3.02Å; E113-N116 WeakPolarHBondContact O-CA 3.42Å; E113-N116 WeakPolarHBondContact O-CB 3.36Å; E113-N116 PolarHBondContact O-N 3.19Å; E113-E117 PolarHBondContact O-N 3.26Å |
| 114 | S | 84.6 | Confident | 75.8 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 176.4 | 67.1 | 0 | 0 | 0 | 0 | 111.6 | K91 D108 V109 S111 N116 E117 D118 | K91-S114 PolarHBondContact NZ-OG 3.01Å; D108-S114 VanDerWaalsContact O-CB 3.28Å; D108-S114 WeakPolarHBondContact O-CB 3.35Å; D108-S114 PolarHBondContact O-OG 3.39Å; V109-S114 PolarHBondContact O-OG 3.04Å; S111-S114 PolarHBondContact O-N 3.23Å; S111-S114 PolarHBondContact O-OG 3.27Å; S111-S114 VanDerWaalsContact O-OG 3.09Å; S114-N116 VanDerWaalsContact C-N 3.28Å; S114-N116 PolarHBondContact O-N 2.97Å; S114-E117 WeakPolarHBondContact O-CB 3.46Å; S114-E117 PolarHBondContact O-N 2.99Å; S114-E117 VanDerWaalsContact O-N 3.07Å; S114-D118 PolarHBondContact O-N 3.27Å; S114-D118 VanDerWaalsContact O-OD2 3.1Å |
| 115 | F | 86.8 | Confident | 77.5 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 0% | 0.004 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.6 | -27.5 | 172.9 | -174.7 | -115.7 | 0 | 0 | 0 | 113.7 | L84 L87 I88 K91 S111 E113 E117 D118 I119 I147 R151 L154 | L84-F115 HydrophobicContact CD1-CE2 3.64Å; L84-F115 HydrophobicContact CD1-CZ 3.83Å; L84-F115 HydrophobicContact CG-CE2 4.43Å; L84-F115 HydrophobicContact CG-CZ 4.25Å; L87-F115 HydrophobicContact CD2-CD2 3.7Å; L87-F115 HydrophobicContact CD2-CE2 3.79Å; I88-F115 HydrophobicContact CB-CD2 4.34Å; I88-F115 HydrophobicContact CB-CE1 4.35Å; I88-F115 HydrophobicContact CB-CE2 3.61Å; I88-F115 HydrophobicContact CB-CZ 3.63Å; I88-F115 HydrophobicContact CD1-CD1 3.96Å; I88-F115 HydrophobicContact CD1-CE1 3.25Å; I88-F115 HydrophobicContact CD1-CE2 4.12Å; I88-F115 HydrophobicContact CD1-CZ 3.38Å; I88-F115 HydrophobicContact CG1-CD1 4.17Å; I88-F115 HydrophobicContact CG1-CD2 4.17Å; I88-F115 HydrophobicContact CG1-CE1 3.75Å; I88-F115 HydrophobicContact CG1-CE2 3.77Å; I88-F115 HydrophobicContact CG1-CG 4.38Å; I88-F115 HydrophobicContact CG1-CZ 3.56Å; K91-F115 HydrophobicContact CD-CB 3.98Å; K91-F115 HydrophobicContact CD-CD2 4.08Å; K91-F115 HydrophobicContact CD-CG 4.39Å; S111-F115 PolarHBondContact O-N 3.4Å; E113-F115 VanDerWaalsContact C-N 3.28Å; E113-F115 PolarHBondContact O-N 3.02Å; F115-E117 VanDerWaalsContact C-N 3.34Å; F115-D118 HydrophobicContact CD2-CB 4.21Å; F115-D118 PolarHBondContact O-N 3.32Å; F115-I119 HydrophobicContact CD1-CD1 3.87Å; F115-I119 HydrophobicContact CD1-CG1 4.41Å; F115-I119 HydrophobicContact CE1-CD1 3.46Å; F115-I119 VanDerWaalsContact CE1-CD1 3.46Å; F115-I119 HydrophobicContact CE1-CG1 3.92Å; F115-I119 HydrophobicContact CE2-CG1 4.3Å; F115-I119 HydrophobicContact CZ-CD1 3.91Å; F115-I119 HydrophobicContact CZ-CG1 3.84Å; F115-I119 VanDerWaalsContact O-CG1 3.32Å; F115-I119 WeakPolarHBondContact O-CG1 3.46Å; F115-I119 PolarHBondContact O-N 3.36Å; F115-I147 HydrophobicContact CZ-CG2 4.47Å; F115-R151 HydrophobicContact CD1-CG 4.15Å; F115-R151 HydrophobicContact CE1-CB 4.39Å; F115-R151 HydrophobicContact CE1-CG 4.1Å; F115-L154 HydrophobicContact CB-CD2 4.17Å; F115-L154 HydrophobicContact CG-CD2 4.49Å |
| 116 | N | 88.6 | Confident | 79.1 | Confident | 63 Ų | 63 | 60 Ų | 60 | 34% | 0.337 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.9 | -32.9 | 171.4 | -61.6 | -41.7 | 0 | 0 | 0 | 111.7 | S112 E113 S114 A120 R151 | S112-N116 PolarHBondContact O-N 3.49Å; S112-N116 PolarHBondContact O-ND2 2.78Å; E113-N116 WeakPolarHBondContact O-CA 3.42Å; E113-N116 WeakPolarHBondContact O-CB 3.36Å; E113-N116 PolarHBondContact O-N 3.19Å; S114-N116 VanDerWaalsContact C-N 3.28Å; S114-N116 PolarHBondContact O-N 2.97Å; N116-A120 WeakPolarHBondContact O-CB 3.45Å; N116-A120 PolarHBondContact O-N 3.47Å; N116-A120 VanDerWaalsContact O-N 3.08Å; N116-R151 PolarHBondContact OD1-NH2 3.15Å |
| 117 | E | 90.5 | Very high | 80.4 | Confident | 137 Ų | 137 | 68.5 Ų | 68.5 | 64% | 0.64 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -68.7 | -42.9 | 171.1 | -176.8 | 162.1 | -144.5 | 0 | 0 | 111.5 | E113 S114 F115 I119 A120 V121 | E113-E117 PolarHBondContact O-N 3.26Å; S114-E117 WeakPolarHBondContact O-CB 3.46Å; S114-E117 PolarHBondContact O-N 2.99Å; S114-E117 VanDerWaalsContact O-N 3.07Å; F115-E117 VanDerWaalsContact C-N 3.34Å; E117-I119 VanDerWaalsContact C-N 3.34Å; E117-I119 PolarHBondContact O-N 3.07Å; E117-A120 CarbonylContact O-C 3.09Å; E117-A120 WeakPolarHBondContact O-CA 3.49Å; E117-A120 WeakPolarHBondContact O-CB 3.29Å; E117-A120 PolarHBondContact O-N 3.37Å; E117-V121 HydrophobicContact CG-CG2 4.44Å; E117-V121 WeakPolarHBondContact O-CG2 3.34Å; E117-V121 PolarHBondContact O-N 3Å |
| 118 | D | 89.3 | Confident | 81.1 | Confident | 47 Ų | 47 | 71.3 Ų | 71.3 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 174.2 | -70.1 | -55.7 | 0 | 0 | 0 | 111.8 | L87 K91 S114 F115 A120 V121 F122 | L87-D118 HydrophobicContact CD1-CB 4.24Å; L87-D118 HydrophobicContact CD2-CB 3.78Å; K91-D118 WeakPolarHBondContact CE-OD2 3.21Å; K91-D118 IonicContact NZ-OD2 3.93Å; K91-D118 PolarHBondContact NZ-OD2 3.21Å; S114-D118 PolarHBondContact O-N 3.27Å; S114-D118 VanDerWaalsContact O-OD2 3.1Å; F115-D118 HydrophobicContact CD2-CB 4.21Å; F115-D118 PolarHBondContact O-N 3.32Å; D118-A120 VanDerWaalsContact C-N 3.3Å; D118-A120 PolarHBondContact O-N 3.19Å; D118-V121 PolarHBondContact O-N 2.91Å; D118-F122 WeakPolarHBondContact O-CB 3.41Å; D118-F122 PolarHBondContact O-N 3.01Å |
| 119 | I | 89.9 | Confident | 81.5 | Confident | 55 Ų | 55 | 72 Ų | 72 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57 | -43.5 | 170.2 | -71.7 | 164.9 | 0 | 0 | 0 | 111 | L84 F115 E117 F122 A123 | L84-I119 HydrophobicContact CD1-CG1 4.07Å; L84-I119 HydrophobicContact CD2-CG1 4.3Å; F115-I119 HydrophobicContact CD1-CD1 3.87Å; F115-I119 HydrophobicContact CD1-CG1 4.41Å; F115-I119 HydrophobicContact CE1-CD1 3.46Å; F115-I119 VanDerWaalsContact CE1-CD1 3.46Å; F115-I119 HydrophobicContact CE1-CG1 3.92Å; F115-I119 HydrophobicContact CE2-CG1 4.3Å; F115-I119 HydrophobicContact CZ-CD1 3.91Å; F115-I119 HydrophobicContact CZ-CG1 3.84Å; F115-I119 VanDerWaalsContact O-CG1 3.32Å; F115-I119 WeakPolarHBondContact O-CG1 3.46Å; F115-I119 PolarHBondContact O-N 3.36Å; E117-I119 VanDerWaalsContact C-N 3.34Å; E117-I119 PolarHBondContact O-N 3.07Å; I119-F122 PolarHBondContact O-N 3.03Å; I119-A123 WeakPolarHBondContact O-CB 3.2Å; I119-A123 PolarHBondContact O-N 3.23Å |
| 120 | A | 90 | Very high | 81.4 | Confident | 41 Ų | 41 | 76.3 Ų | 76.3 | 34% | 0.339 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -70.8 | -32.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N116 E117 D118 K124 | N116-A120 WeakPolarHBondContact O-CB 3.45Å; N116-A120 PolarHBondContact O-N 3.47Å; N116-A120 VanDerWaalsContact O-N 3.08Å; E117-A120 CarbonylContact O-C 3.09Å; E117-A120 WeakPolarHBondContact O-CA 3.49Å; E117-A120 WeakPolarHBondContact O-CB 3.29Å; E117-A120 PolarHBondContact O-N 3.37Å; D118-A120 VanDerWaalsContact C-N 3.3Å; D118-A120 PolarHBondContact O-N 3.19Å; A120-K124 VanDerWaalsContact O-CD 3.3Å; A120-K124 WeakPolarHBondContact O-CD 3.33Å; A120-K124 WeakPolarHBondContact O-CE 3.32Å; A120-K124 WeakPolarHBondContact O-CG 3.47Å; A120-K124 PolarHBondContact O-N 3.06Å |
| 121 | V | 89.5 | Confident | 81.3 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.9 | -50.4 | 171.1 | 173 | 0 | 0 | 0 | 0 | 110.1 | E117 D118 A123 K124 Q125 | E117-V121 HydrophobicContact CG-CG2 4.44Å; E117-V121 WeakPolarHBondContact O-CG2 3.34Å; E117-V121 PolarHBondContact O-N 3Å; D118-V121 PolarHBondContact O-N 2.91Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.16Å; V121-K124 WeakPolarHBondContact O-CB 3.39Å; V121-K124 PolarHBondContact O-N 3.31Å; V121-Q125 PolarHBondContact O-N 3.19Å |
| 122 | F | 88.9 | Confident | 80.6 | Confident | 34 Ų | 34 | 83.4 Ų | 83.4 | 15% | 0.149 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 177.9 | 178.7 | -96.2 | 0 | 0 | 0 | 112.6 | P80 L81 P83 L84 D118 I119 K124 Q125 I126 | P80-F122 WeakPolarHBondContact O-CZ 3.44Å; L81-F122 HydrophobicContact CD2-CE1 3.82Å; L81-F122 HydrophobicContact CD2-CZ 4.03Å; P83-F122 HydrophobicContact CB-CE2 4.17Å; P83-F122 HydrophobicContact CG-CE2 4.43Å; L84-F122 HydrophobicContact CB-CD1 4.11Å; L84-F122 HydrophobicContact CB-CD2 4.04Å; L84-F122 HydrophobicContact CB-CE1 3.94Å; L84-F122 HydrophobicContact CB-CE2 3.87Å; L84-F122 HydrophobicContact CB-CG 4.15Å; L84-F122 HydrophobicContact CB-CZ 3.8Å; L84-F122 HydrophobicContact CD1-CB 4.36Å; L84-F122 HydrophobicContact CD1-CD1 4.45Å; L84-F122 HydrophobicContact CD1-CG 4.28Å; L84-F122 HydrophobicContact CD2-CD1 3.76Å; L84-F122 HydrophobicContact CD2-CE1 3.86Å; L84-F122 HydrophobicContact CD2-CG 4.38Å; L84-F122 HydrophobicContact CG-CD1 4.34Å; L84-F122 HydrophobicContact CG-CE1 4.47Å; D118-F122 WeakPolarHBondContact O-CB 3.41Å; D118-F122 PolarHBondContact O-N 3.01Å; I119-F122 PolarHBondContact O-N 3.03Å; F122-K124 VanDerWaalsContact C-N 3.3Å; F122-K124 PolarHBondContact O-N 2.88Å; F122-Q125 PolarHBondContact O-N 3.2Å; F122-I126 HydrophobicContact CE1-CD1 3.69Å; F122-I126 HydrophobicContact CE1-CG1 4.34Å; F122-I126 HydrophobicContact CE2-CD1 3.73Å; F122-I126 HydrophobicContact CE2-CG1 4.23Å; F122-I126 HydrophobicContact CZ-CD1 3.21Å; F122-I126 HydrophobicContact CZ-CG1 4.05Å; F122-I126 PolarHBondContact O-N 2.92Å |
| 123 | A | 86.4 | Confident | 80.1 | Confident | 38 Ų | 38 | 88.7 Ų | 88.7 | 31% | 0.314 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.6 | -25.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I119 V121 R127 | I119-A123 WeakPolarHBondContact O-CB 3.2Å; I119-A123 PolarHBondContact O-N 3.23Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.16Å; A123-R127 VanDerWaalsContact O-CD 3.29Å; A123-R127 WeakPolarHBondContact O-CD 3.39Å; A123-R127 WeakPolarHBondContact O-CG 3.48Å |
| 124 | K | 85.6 | Confident | 79.6 | Confident | 143 Ų | 143 | 83 Ų | 83 | 62% | 0.622 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -73.3 | -44.6 | 169.1 | -67.8 | 158.9 | -168.1 | 166.6 | 0 | 110.4 | A120 V121 F122 | A120-K124 VanDerWaalsContact O-CD 3.3Å; A120-K124 WeakPolarHBondContact O-CD 3.33Å; A120-K124 WeakPolarHBondContact O-CE 3.32Å; A120-K124 WeakPolarHBondContact O-CG 3.47Å; A120-K124 PolarHBondContact O-N 3.06Å; V121-K124 WeakPolarHBondContact O-CB 3.39Å; V121-K124 PolarHBondContact O-N 3.31Å; F122-K124 VanDerWaalsContact C-N 3.3Å; F122-K124 PolarHBondContact O-N 2.88Å |
| 125 | Q | 83.3 | Confident | 79.2 | Confident | 102 Ų | 102 | 88.3 Ų | 88.3 | 48% | 0.477 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62 | -52.5 | -178.4 | -173.2 | 64.1 | 21.2 | 0 | 0 | 112.4 | V121 F122 R127 A128 E129 | V121-Q125 PolarHBondContact O-N 3.19Å; F122-Q125 PolarHBondContact O-N 3.2Å; Q125-R127 VanDerWaalsContact C-N 3.29Å; Q125-R127 PolarHBondContact O-N 2.96Å; Q125-A128 WeakPolarHBondContact O-CB 3.4Å; Q125-A128 PolarHBondContact O-N 2.92Å; Q125-E129 PolarHBondContact NE2-OE2 3.12Å |
| 126 | I | 78.9 | Confident | 79.1 | Confident | 20 Ų | 20 | 91.6 Ų | 91.6 | 10% | 0.103 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -65.7 | -32.1 | -176.3 | -65.5 | -161.7 | 0 | 0 | 0 | 112.5 | P80 F122 A128 E129 K130 L132 | P80-I126 HydrophobicContact CB-CD1 4.1Å; P80-I126 WeakPolarHBondContact O-CD1 3.2Å; F122-I126 HydrophobicContact CE1-CD1 3.69Å; F122-I126 HydrophobicContact CE1-CG1 4.34Å; F122-I126 HydrophobicContact CE2-CD1 3.73Å; F122-I126 HydrophobicContact CE2-CG1 4.23Å; F122-I126 HydrophobicContact CZ-CD1 3.21Å; F122-I126 HydrophobicContact CZ-CG1 4.05Å; F122-I126 PolarHBondContact O-N 2.92Å; I126-A128 PolarHBondContact O-N 2.8Å; I126-A128 VanDerWaalsContact O-N 3.08Å; I126-E129 PolarHBondContact O-N 3.16Å; I126-E129 VanDerWaalsContact O-N 3.1Å; I126-K130 PolarHBondContact O-N 3.4Å; I126-L132 HydrophobicContact CB-CD2 4.25Å; I126-L132 HydrophobicContact CG2-CD2 3.6Å; I126-L132 HydrophobicContact CG2-CG 3.82Å |
| 127 | R | 71.3 | Confident | 79.1 | Confident | 214 Ų | 214 | 92.6 Ų | 92.6 | 81% | 0.808 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.9 | -17.6 | 172.9 | -77.1 | 176.8 | -176 | 179.4 | 3.6 | 113.8 | A123 Q125 | A123-R127 VanDerWaalsContact O-CD 3.29Å; A123-R127 WeakPolarHBondContact O-CD 3.39Å; A123-R127 WeakPolarHBondContact O-CG 3.48Å; Q125-R127 VanDerWaalsContact C-N 3.29Å; Q125-R127 PolarHBondContact O-N 2.96Å |
| 128 | A | 70.3 | Confident | 79.1 | Confident | 84 Ų | 84 | 93.6 Ų | 93.6 | 69% | 0.694 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -92 | -23.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q125 I126 | Q125-A128 WeakPolarHBondContact O-CB 3.4Å; Q125-A128 PolarHBondContact O-N 2.92Å; I126-A128 PolarHBondContact O-N 2.8Å; I126-A128 VanDerWaalsContact O-N 3.08Å |
| 129 | E | 65.8 | Low | 79.2 | Confident | 132 Ų | 132 | 92.4 Ų | 92.4 | 62% | 0.617 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -122.3 | -28.1 | -160.5 | -65.4 | -163.8 | 122.9 | 0 | 0 | 117.8 | Q125 I126 | Q125-E129 PolarHBondContact NE2-OE2 3.12Å; I126-E129 PolarHBondContact O-N 3.16Å; I126-E129 VanDerWaalsContact O-N 3.1Å |
| 130 | K | 64.4 | Low | 79.2 | Confident | 174 Ų | 174 | 90.2 Ų | 90.2 | 76% | 0.757 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -168.4 | 169.6 | 178.3 | -106.9 | 133.4 | -170 | 172.7 | 0 | 114.7 | I126 | I126-K130 PolarHBondContact O-N 3.4Š|
| 131 | P | 66.6 | Low | 79.3 | Confident | 103 Ų | 103 | 92.4 Ų | 92.4 | 67% | 0.669 | 49% | 0.486 | S | S | * | . | trans | -56.1 | 140.7 | 166 | -22.6 | 34.6 | 0 | 0 | 0 | 112.2 | F133 | P131-F133 VanDerWaalsContact C-N 3.3Å; P131-F133 PolarHBondContact O-N 3.35Å | ||
| 132 | L | 63.4 | Low | 79.6 | Confident | 81 Ų | 81 | 93.3 Ų | 93.3 | 42% | 0.424 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -71.4 | -19.6 | -178.3 | -86.1 | 156.4 | 0 | 0 | 0 | 114.9 | P80 I126 | P80-L132 WeakPolarHBondContact CG-O 3.44Å; I126-L132 HydrophobicContact CB-CD2 4.25Å; I126-L132 HydrophobicContact CG2-CD2 3.6Å; I126-L132 HydrophobicContact CG2-CG 3.82Å |
| 133 | F | 66.9 | Low | 79.8 | Confident | 134 Ų | 134 | 91.9 Ų | 91.9 | 59% | 0.588 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -117.3 | 142.9 | -169.7 | -64.3 | -73.8 | 0 | 0 | 0 | 110.1 | P131 D140 I144 | P131-F133 VanDerWaalsContact C-N 3.3Å; P131-F133 PolarHBondContact O-N 3.35Å; F133-D140 WeakPolarHBondContact CB-OD2 3.31Å; F133-D140 HydrophobicContact CD1-CB 4.17Å; F133-I144 HydrophobicContact CE1-CD1 4.43Å |
| 134 | S | 71.8 | Confident | 80.1 | Confident | 39 Ų | 39 | 92.9 Ų | 92.9 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | trans | -82.1 | 177.3 | 176.3 | 76.3 | 0 | 0 | 0 | 0 | 110.9 | H79 N136 D140 | H79-S134 WeakPolarHBondContact NE2-CB 3.48Å; H79-S134 PolarHBondContact NE2-OG 2.89Å; S134-N136 PolarHBondContact O-N 2.9Å; S134-N136 PolarHBondContact OG-N 3.14Å; S134-N136 VanDerWaalsContact OG-N 3.07Å; S134-N136 PolarHBondContact OG-O 3.13Å; S134-N136 VanDerWaalsContact OG-O 3.08Å; S134-D140 VanDerWaalsContact CB-OD1 3.25Å; S134-D140 WeakPolarHBondContact CB-OD1 3.44Å; S134-D140 PolarHBondContact N-OD1 3.4Å; S134-D140 PolarHBondContact N-OD2 3.37Å; S134-D140 PolarHBondContact OG-OD1 2.88Å | ||
| 135 | S | 75.8 | Confident | 80.6 | Confident | 135 Ų | 135 | 91.2 Ų | 91.2 | 94% | 0.944 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -71.3 | -1.3 | 169.4 | -50.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 136 | N | 85 | Confident | 81.2 | Confident | 71 Ų | 71 | 87.9 Ų | 87.9 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | trans | -123.4 | 101.6 | -178.9 | -177.2 | 1.3 | 0 | 0 | 0 | 111.3 | S134 E138 L139 D140 | S134-N136 PolarHBondContact O-N 2.9Å; S134-N136 PolarHBondContact OG-N 3.14Å; S134-N136 VanDerWaalsContact OG-N 3.07Å; S134-N136 PolarHBondContact OG-O 3.13Å; S134-N136 VanDerWaalsContact OG-O 3.08Å; N136-E138 PolarHBondContact O-N 2.76Å; N136-E138 WeakPolarHBondContact OD1-CB 3.39Å; N136-E138 PolarHBondContact OD1-N 3.04Å; N136-L139 HydrophobicContact CB-CB 4.14Å; N136-L139 PolarHBondContact O-N 3.08Å; N136-D140 PolarHBondContact O-N 2.82Å; N136-D140 VanDerWaalsContact O-N 3.13Å | ||
| 137 | P | 86.6 | Confident | 81.9 | Confident | 84 Ų | 84 | 87.7 Ų | 87.7 | 55% | 0.545 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.2 | -20.9 | -179.2 | 28.8 | -35.4 | 0 | 0 | 0 | 113.4 | N141 | P137-N141 WeakPolarHBondContact O-CB 3.3Å; P137-N141 PolarHBondContact O-N 2.85Å; P137-N141 PolarHBondContact O-ND2 3.26Å |
| 138 | E | 91.4 | Very high | 83 | Confident | 157 Ų | 157 | 82.5 Ų | 82.5 | 73% | 0.734 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -69.4 | -41.8 | 175.7 | -58.6 | -177.9 | 162.5 | 0 | 0 | 110.7 | N136 N141 L142 | N136-E138 PolarHBondContact O-N 2.76Å; N136-E138 WeakPolarHBondContact OD1-CB 3.39Å; N136-E138 PolarHBondContact OD1-N 3.04Å; E138-N141 PolarHBondContact O-N 3.39Å; E138-L142 WeakPolarHBondContact O-CB 3.22Å; E138-L142 PolarHBondContact O-N 3.4Å |
| 139 | L | 90.9 | Very high | 84.2 | Confident | 22 Ų | 22 | 83.1 Ų | 83.1 | 12% | 0.115 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 174.3 | 178.9 | 60.4 | 0 | 0 | 0 | 111.3 | A75 I76 N136 N141 L142 M143 | A75-L139 HydrophobicContact CB-CD2 4.06Å; I76-L139 HydrophobicContact CG1-CD1 3.76Å; N136-L139 HydrophobicContact CB-CB 4.14Å; N136-L139 PolarHBondContact O-N 3.08Å; L139-N141 VanDerWaalsContact C-N 3.31Å; L139-N141 PolarHBondContact O-N 3.08Å; L139-L142 PolarHBondContact O-N 3.19Å; L139-M143 HydrophobicContact CD1-CG 4.01Å; L139-M143 HydrophobicContact CD1-SD 4.49Å; L139-M143 HydrophobicContact CG-CG 4.36Å; L139-M143 WeakPolarHBondContact O-CB 3.39Å; L139-M143 VanDerWaalsContact O-CG 3.23Å; L139-M143 WeakPolarHBondContact O-CG 3.18Å; L139-M143 PolarHBondContact O-N 2.97Å |
| 140 | D | 90.1 | Very high | 85.6 | Confident | 9 Ų | 9 | 78.5 Ų | 78.5 | 5% | 0.048 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.4 | -45.3 | 175.8 | -62.1 | -15.2 | 0 | 0 | 0 | 111.3 | H79 F133 S134 N136 M143 I144 | H79-D140 IonicContact CD2-OD1 3.92Å; H79-D140 IonicContact CE1-OD1 3.89Å; H79-D140 WeakPolarHBondContact NE2-CA 3.44Å; H79-D140 WeakPolarHBondContact NE2-CB 3.49Å; H79-D140 PolarHBondContact NE2-N 3.09Å; H79-D140 CovalentContact NE2-OD1 1.77Å; H79-D140 IonicContact NE2-OD1 2.69Å; H79-D140 PolarHBondContact NE2-OD1 3.41Å; H79-D140 IonicContact NE2-OD2 3.77Å; F133-D140 WeakPolarHBondContact CB-OD2 3.31Å; F133-D140 HydrophobicContact CD1-CB 4.17Å; S134-D140 VanDerWaalsContact CB-OD1 3.25Å; S134-D140 WeakPolarHBondContact CB-OD1 3.44Å; S134-D140 PolarHBondContact N-OD1 3.4Å; S134-D140 PolarHBondContact N-OD2 3.37Å; S134-D140 PolarHBondContact OG-OD1 2.88Å; N136-D140 PolarHBondContact O-N 2.82Å; N136-D140 VanDerWaalsContact O-N 3.13Å; D140-M143 PolarHBondContact O-N 3.34Å; D140-I144 WeakPolarHBondContact O-CD1 3.29Å; D140-I144 VanDerWaalsContact O-CG1 3.24Å; D140-I144 WeakPolarHBondContact O-CG1 3.29Å; D140-I144 PolarHBondContact O-N 2.94Å |
| 141 | N | 93.4 | Very high | 86.9 | Confident | 88 Ų | 88 | 74.4 Ų | 74.4 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.5 | -84.1 | -81.5 | 0 | 0 | 0 | 112.4 | P137 E138 L139 M143 I144 Q145 | P137-N141 WeakPolarHBondContact O-CB 3.3Å; P137-N141 PolarHBondContact O-N 2.85Å; P137-N141 PolarHBondContact O-ND2 3.26Å; E138-N141 PolarHBondContact O-N 3.39Å; L139-N141 VanDerWaalsContact C-N 3.31Å; L139-N141 PolarHBondContact O-N 3.08Å; N141-M143 PolarHBondContact O-N 3.45Å; N141-I144 PolarHBondContact O-N 2.93Å; N141-Q145 WeakPolarHBondContact O-CB 3.5Å; N141-Q145 VanDerWaalsContact O-CG 3.3Å; N141-Q145 WeakPolarHBondContact O-CG 3.36Å; N141-Q145 PolarHBondContact O-N 3.19Å |
| 142 | L | 94.3 | Very high | 88.2 | Confident | 96 Ų | 96 | 75.2 Ų | 75.2 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.1 | -45.8 | 176.8 | 176.9 | 62.6 | 0 | 0 | 0 | 111.7 | E138 L139 Q145 A146 | E138-L142 WeakPolarHBondContact O-CB 3.22Å; E138-L142 PolarHBondContact O-N 3.4Å; L139-L142 PolarHBondContact O-N 3.19Å; L142-Q145 PolarHBondContact O-N 3.33Å; L142-A146 WeakPolarHBondContact O-CB 3.39Å; L142-A146 PolarHBondContact O-N 3.35Å |
| 143 | M | 94.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.02 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 179.2 | -67.5 | -67.2 | -67.4 | 0 | 0 | 111.8 | I76 H79 L81 F82 L85 L139 D140 N141 I147 | I76-M143 HydrophobicContact CG2-SD 4.03Å; H79-M143 HydrophobicContact CB-CE 4.09Å; H79-M143 HydrophobicContact CB-CG 4.44Å; L81-M143 HydrophobicContact CB-CB 4.26Å; L81-M143 HydrophobicContact CB-CE 4.2Å; L81-M143 HydrophobicContact CD1-CB 4.14Å; F82-M143 HydrophobicContact CB-CE 4.14Å; F82-M143 HydrophobicContact CD2-CE 4.44Å; L85-M143 HydrophobicContact CB-CE 4.07Å; L85-M143 HydrophobicContact CD2-CE 3.57Å; L85-M143 HydrophobicContact CD2-SD 3.76Å; L85-M143 HydrophobicContact CG-CE 4.47Å; L139-M143 HydrophobicContact CD1-CG 4.01Å; L139-M143 HydrophobicContact CD1-SD 4.49Å; L139-M143 HydrophobicContact CG-CG 4.36Å; L139-M143 WeakPolarHBondContact O-CB 3.39Å; L139-M143 VanDerWaalsContact O-CG 3.23Å; L139-M143 WeakPolarHBondContact O-CG 3.18Å; L139-M143 PolarHBondContact O-N 2.97Å; D140-M143 PolarHBondContact O-N 3.34Å; N141-M143 PolarHBondContact O-N 3.45Å; M143-I147 WeakPolarHBondContact O-CD1 3.47Å; M143-I147 WeakPolarHBondContact O-CG1 3.4Å; M143-I147 PolarHBondContact O-N 3.27Å; M143-I147 VanDerWaalsContact O-N 3.12Å |
| 144 | I | 92.6 | Very high | 90.8 | Very high | 58 Ų | 58 | 69 Ų | 69 | 30% | 0.297 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -45.7 | 174.9 | -70.3 | 166.1 | 0 | 0 | 0 | 111 | L81 F133 D140 N141 I147 Q148 | L81-I144 HydrophobicContact CD1-CG1 3.72Å; F133-I144 HydrophobicContact CE1-CD1 4.43Å; D140-I144 WeakPolarHBondContact O-CD1 3.29Å; D140-I144 VanDerWaalsContact O-CG1 3.24Å; D140-I144 WeakPolarHBondContact O-CG1 3.29Å; D140-I144 PolarHBondContact O-N 2.94Å; N141-I144 PolarHBondContact O-N 2.93Å; I144-I147 PolarHBondContact O-N 3.26Å; I144-Q148 HydrophobicContact CG2-CG 4.49Å; I144-Q148 WeakPolarHBondContact O-CB 3.3Å; I144-Q148 VanDerWaalsContact O-CG 3.28Å; I144-Q148 WeakPolarHBondContact O-CG 3.28Å; I144-Q148 PolarHBondContact O-N 3.18Å |
| 145 | Q | 95.8 | Very high | 91.6 | Very high | 108 Ų | 108 | 69.2 Ų | 69.2 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 178.8 | -72.7 | 175.3 | 30 | 0 | 0 | 112 | N141 L142 I147 Q148 V149 | N141-Q145 WeakPolarHBondContact O-CB 3.5Å; N141-Q145 VanDerWaalsContact O-CG 3.3Å; N141-Q145 WeakPolarHBondContact O-CG 3.36Å; N141-Q145 PolarHBondContact O-N 3.19Å; L142-Q145 PolarHBondContact O-N 3.33Å; Q145-I147 PolarHBondContact O-N 2.8Å; Q145-Q148 PolarHBondContact O-N 3.46Å; Q145-V149 WeakPolarHBondContact O-CG2 3.14Å; Q145-V149 PolarHBondContact O-N 2.97Å |
| 146 | A | 96 | Very high | 92.4 | Very high | 32 Ų | 32 | 67.1 Ų | 67.1 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L85 L142 Q148 V149 L150 | L85-A146 HydrophobicContact CD1-CB 3.78Å; L142-A146 WeakPolarHBondContact O-CB 3.39Å; L142-A146 PolarHBondContact O-N 3.35Å; A146-Q148 VanDerWaalsContact C-N 3.35Å; A146-Q148 PolarHBondContact O-N 3.39Å; A146-V149 PolarHBondContact O-N 3.38Å; A146-L150 WeakPolarHBondContact O-CG 3.49Å; A146-L150 PolarHBondContact O-N 3.06Å |
| 147 | I | 94.4 | Very high | 92.7 | Very high | 17 Ų | 17 | 65 Ų | 65 | 9% | 0.087 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 175.2 | -68.1 | 163.3 | 0 | 0 | 0 | 111.1 | L81 L84 L85 I88 F115 M143 I144 Q145 R151 | L81-I147 HydrophobicContact CB-CD1 4.02Å; L84-I147 HydrophobicContact CB-CD1 4.32Å; L84-I147 HydrophobicContact CD2-CD1 4.21Å; L84-I147 HydrophobicContact CD2-CG2 4.38Å; L84-I147 HydrophobicContact CG-CD1 4.32Å; L85-I147 HydrophobicContact CB-CD1 4.24Å; L85-I147 HydrophobicContact CB-CG1 3.97Å; L85-I147 HydrophobicContact CD1-CG1 3.95Å; I88-I147 HydrophobicContact CD1-CG2 4.43Å; I88-I147 WeakPolarHBondContact CD1-O 3.4Å; F115-I147 HydrophobicContact CZ-CG2 4.47Å; M143-I147 WeakPolarHBondContact O-CD1 3.47Å; M143-I147 WeakPolarHBondContact O-CG1 3.4Å; M143-I147 PolarHBondContact O-N 3.27Å; M143-I147 VanDerWaalsContact O-N 3.12Å; I144-I147 PolarHBondContact O-N 3.26Å; Q145-I147 PolarHBondContact O-N 2.8Å; I147-R151 WeakPolarHBondContact O-CB 3.25Å; I147-R151 PolarHBondContact O-N 3.38Å |
| 148 | Q | 94 | Very high | 92.7 | Very high | 104 Ų | 104 | 63 Ų | 63 | 49% | 0.486 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 176.5 | -75.2 | 172.8 | -1.3 | 0 | 0 | 112.3 | I144 Q145 A146 R151 F152 | I144-Q148 HydrophobicContact CG2-CG 4.49Å; I144-Q148 WeakPolarHBondContact O-CB 3.3Å; I144-Q148 VanDerWaalsContact O-CG 3.28Å; I144-Q148 WeakPolarHBondContact O-CG 3.28Å; I144-Q148 PolarHBondContact O-N 3.18Å; Q145-Q148 PolarHBondContact O-N 3.46Å; A146-Q148 VanDerWaalsContact C-N 3.35Å; A146-Q148 PolarHBondContact O-N 3.39Å; Q148-R151 WeakPolarHBondContact O-CB 3.33Å; Q148-R151 PolarHBondContact O-N 2.97Å; Q148-F152 WeakPolarHBondContact O-CD2 3.32Å; Q148-F152 PolarHBondContact O-N 3.35Å |
| 149 | V | 96.1 | Very high | 92.6 | Very high | 97 Ų | 97 | 61 Ų | 61 | 59% | 0.588 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.4 | -46.1 | 179.6 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | Q145 A146 R151 F152 H153 | Q145-V149 WeakPolarHBondContact O-CG2 3.14Å; Q145-V149 PolarHBondContact O-N 2.97Å; A146-V149 PolarHBondContact O-N 3.38Å; V149-R151 VanDerWaalsContact C-N 3.27Å; V149-R151 PolarHBondContact O-N 3.43Å; V149-F152 PolarHBondContact O-N 3.01Å; V149-H153 PolarHBondContact O-N 2.91Å |
| 150 | L | 94.5 | Very high | 92.6 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 18% | 0.183 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.2 | -32.2 | 176 | -69.8 | 170.8 | 0 | 0 | 0 | 112 | L85 I88 F89 A146 H153 L154 | L85-L150 HydrophobicContact CD1-CD1 3.76Å; I88-L150 HydrophobicContact CD1-CB 3.87Å; I88-L150 HydrophobicContact CG1-CB 4.18Å; I88-L150 HydrophobicContact CG2-CB 3.89Å; I88-L150 HydrophobicContact CG2-CD1 3.82Å; F89-L150 HydrophobicContact CB-CD1 4.31Å; F89-L150 HydrophobicContact CD2-CD1 4.34Å; A146-L150 WeakPolarHBondContact O-CG 3.49Å; A146-L150 PolarHBondContact O-N 3.06Å; L150-H153 PolarHBondContact O-N 3.43Å; L150-L154 PolarHBondContact O-N 3.01Å |
| 151 | R | 92.2 | Very high | 92.4 | Very high | 88 Ų | 88 | 65.3 Ų | 65.3 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 174.7 | -168 | 175.2 | -179.7 | -94.6 | 2.8 | 112.4 | I88 F115 N116 I147 Q148 V149 L155 | I88-R151 HydrophobicContact CD1-CB 3.67Å; I88-R151 HydrophobicContact CD1-CG 4.45Å; I88-R151 VanDerWaalsContact CD1-N 3.27Å; F115-R151 HydrophobicContact CD1-CG 4.15Å; F115-R151 HydrophobicContact CE1-CB 4.39Å; F115-R151 HydrophobicContact CE1-CG 4.1Å; N116-R151 PolarHBondContact OD1-NH2 3.15Å; I147-R151 WeakPolarHBondContact O-CB 3.25Å; I147-R151 PolarHBondContact O-N 3.38Å; Q148-R151 WeakPolarHBondContact O-CB 3.33Å; Q148-R151 PolarHBondContact O-N 2.97Å; V149-R151 VanDerWaalsContact C-N 3.27Å; V149-R151 PolarHBondContact O-N 3.43Å; R151-L155 WeakPolarHBondContact O-CD1 3.01Å; R151-L155 WeakPolarHBondContact O-CG 3.24Å; R151-L155 PolarHBondContact O-N 3.05Å |
| 152 | F | 93.3 | Very high | 92.1 | Very high | 121 Ų | 121 | 67.3 Ų | 67.3 | 53% | 0.531 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 170.8 | -76.3 | -67.8 | 0 | 0 | 0 | 111.6 | Q148 V149 L155 E156 | Q148-F152 WeakPolarHBondContact O-CD2 3.32Å; Q148-F152 PolarHBondContact O-N 3.35Å; V149-F152 PolarHBondContact O-N 3.01Å; F152-L155 WeakPolarHBondContact O-CB 3.11Å; F152-L155 PolarHBondContact O-N 3.43Å; F152-E156 WeakPolarHBondContact O-CG 3.24Å; F152-E156 PolarHBondContact O-N 3.29Å |
| 153 | H | 92.9 | Very high | 91.8 | Very high | 81 Ų | 81 | 68.9 Ų | 68.9 | 38% | 0.375 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 178 | -166.3 | 49.4 | 0 | 0 | 0 | 112.6 | V149 L150 L155 E156 L157 | V149-H153 PolarHBondContact O-N 2.91Å; L150-H153 PolarHBondContact O-N 3.43Å; H153-L155 VanDerWaalsContact C-N 3.3Å; H153-L155 PolarHBondContact O-N 3.07Å; H153-E156 IonicContact ND1-OE2 3.66Å; H153-E156 WeakPolarHBondContact O-CB 3.45Å; H153-E156 PolarHBondContact O-N 3.44Å; H153-L157 WeakPolarHBondContact O-CG 3.44Å; H153-L157 PolarHBondContact O-N 3.2Å |
| 154 | L | 91.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 174.9 | -168.6 | 65.5 | 0 | 0 | 0 | 111.8 | K91 A95 C110 F115 L150 E156 L157 E158 | K91-L154 HydrophobicContact CB-CD1 4.2Å; K91-L154 HydrophobicContact CB-CD2 4.17Å; K91-L154 HydrophobicContact CD-CD2 4.28Å; A95-L154 HydrophobicContact CB-CD1 4.04Å; C110-L154 WeakPolarHBondContact O-CD1 3.45Å; F115-L154 HydrophobicContact CB-CD2 4.17Å; F115-L154 HydrophobicContact CG-CD2 4.49Å; L150-L154 PolarHBondContact O-N 3.01Å; L154-E156 VanDerWaalsContact C-N 3.27Å; L154-E156 PolarHBondContact O-N 2.88Å; L154-L157 PolarHBondContact O-N 3.28Å; L154-E158 WeakPolarHBondContact O-CB 3.38Å; L154-E158 PolarHBondContact O-N 3.07Å |
| 155 | L | 90.1 | Very high | 91.2 | Very high | 44 Ų | 44 | 72.1 Ų | 72.1 | 23% | 0.23 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.5 | -20.5 | 173.5 | -77.7 | 164.8 | 0 | 0 | 0 | 114 | S112 R151 F152 H153 K159 | S112-L155 VanDerWaalsContact CB-CD2 3.41Å; S112-L155 VanDerWaalsContact OG-CD2 3.32Å; S112-L155 WeakPolarHBondContact OG-CD2 3.32Å; R151-L155 WeakPolarHBondContact O-CD1 3.01Å; R151-L155 WeakPolarHBondContact O-CG 3.24Å; R151-L155 PolarHBondContact O-N 3.05Å; F152-L155 WeakPolarHBondContact O-CB 3.11Å; F152-L155 PolarHBondContact O-N 3.43Å; H153-L155 VanDerWaalsContact C-N 3.3Å; H153-L155 PolarHBondContact O-N 3.07Å; L155-K159 WeakPolarHBondContact O-CD 3.47Å; L155-K159 VanDerWaalsContact O-CE 3.24Å; L155-K159 WeakPolarHBondContact O-CE 3.49Å; L155-K159 VanDerWaalsContact O-CG 3.31Å; L155-K159 WeakPolarHBondContact O-CG 3.46Å |
| 156 | E | 92.2 | Very high | 90.9 | Very high | 92 Ų | 92 | 71.6 Ų | 71.6 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -83.6 | -42.1 | 172.8 | -72.6 | 176.1 | 162.2 | 0 | 0 | 111.3 | F152 H153 L154 E158 K159 V160 | F152-E156 WeakPolarHBondContact O-CG 3.24Å; F152-E156 PolarHBondContact O-N 3.29Å; H153-E156 IonicContact ND1-OE2 3.66Å; H153-E156 WeakPolarHBondContact O-CB 3.45Å; H153-E156 PolarHBondContact O-N 3.44Å; L154-E156 VanDerWaalsContact C-N 3.27Å; L154-E156 PolarHBondContact O-N 2.88Å; E156-E158 VanDerWaalsContact C-N 3.32Å; E156-E158 PolarHBondContact O-N 2.77Å; E156-K159 PolarHBondContact O-N 2.91Å; E156-V160 WeakPolarHBondContact O-CG2 3.47Å; E156-V160 PolarHBondContact O-N 2.88Å |
| 157 | L | 89.8 | Confident | 90.6 | Very high | 25 Ų | 25 | 76.2 Ų | 76.2 | 13% | 0.131 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 173.6 | -65.7 | 172.2 | 0 | 0 | 0 | 111.5 | A95 T96 H153 L154 K159 V160 H161 | A95-L157 HydrophobicContact CB-CB 4.28Å; A95-L157 HydrophobicContact CB-CD1 3.81Å; T96-L157 HydrophobicContact CG2-CD1 3.84Å; T96-L157 HydrophobicContact CG2-CD2 4.02Å; H153-L157 WeakPolarHBondContact O-CG 3.44Å; H153-L157 PolarHBondContact O-N 3.2Å; L154-L157 PolarHBondContact O-N 3.28Å; L157-K159 PolarHBondContact O-N 3.49Å; L157-V160 WeakPolarHBondContact O-CB 3.42Å; L157-V160 PolarHBondContact O-N 3.18Å; L157-V160 VanDerWaalsContact O-N 3.11Å; L157-H161 PolarHBondContact O-N 3.36Å |
| 158 | E | 87.9 | Confident | 90.3 | Very high | 44 Ų | 44 | 78.2 Ų | 78.2 | 21% | 0.206 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.6 | -45.3 | 175.3 | -174.2 | 160.1 | -130.4 | 0 | 0 | 112.4 | S111 S112 L154 E156 V160 H161 E162 | S111-E158 WeakPolarHBondContact CA-OE1 3.43Å; S111-E158 WeakPolarHBondContact CB-OE1 3.47Å; S111-E158 PolarHBondContact OG-OE1 3.49Å; S112-E158 WeakPolarHBondContact CB-OE2 3.34Å; S112-E158 PolarHBondContact N-OE1 3.45Å; S112-E158 PolarHBondContact N-OE2 3.32Å; S112-E158 VanDerWaalsContact N-OE2 3.13Å; S112-E158 PolarHBondContact OG-OE2 2.96Å; L154-E158 WeakPolarHBondContact O-CB 3.38Å; L154-E158 PolarHBondContact O-N 3.07Å; E156-E158 VanDerWaalsContact C-N 3.32Å; E156-E158 PolarHBondContact O-N 2.77Å; E158-V160 VanDerWaalsContact C-N 3.34Å; E158-V160 PolarHBondContact O-N 3.37Å; E158-H161 WeakPolarHBondContact O-CB 3.31Å; E158-H161 PolarHBondContact O-N 3.41Å; E158-E162 PolarHBondContact O-N 3.02Å |
| 159 | K | 89.4 | Confident | 90 | Very high | 115 Ų | 115 | 80 Ų | 80 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 174.4 | -64.7 | 163.2 | -166.5 | 161.9 | 0 | 112.6 | L155 E156 L157 H161 E162 L163 | L155-K159 WeakPolarHBondContact O-CD 3.47Å; L155-K159 VanDerWaalsContact O-CE 3.24Å; L155-K159 WeakPolarHBondContact O-CE 3.49Å; L155-K159 VanDerWaalsContact O-CG 3.31Å; L155-K159 WeakPolarHBondContact O-CG 3.46Å; E156-K159 PolarHBondContact O-N 2.91Å; L157-K159 PolarHBondContact O-N 3.49Å; K159-H161 VanDerWaalsContact C-N 3.32Å; K159-E162 PolarHBondContact O-N 3.07Å; K159-L163 WeakPolarHBondContact O-CG 3.45Å; K159-L163 PolarHBondContact O-N 3.31Å; K159-L163 VanDerWaalsContact O-N 3.11Å |
| 160 | V | 90.9 | Very high | 89.7 | Confident | 77 Ų | 77 | 83.1 Ų | 83.1 | 47% | 0.467 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 110.1 | E156 L157 E158 L163 C164 | E156-V160 WeakPolarHBondContact O-CG2 3.47Å; E156-V160 PolarHBondContact O-N 2.88Å; L157-V160 WeakPolarHBondContact O-CB 3.42Å; L157-V160 PolarHBondContact O-N 3.18Å; L157-V160 VanDerWaalsContact O-N 3.11Å; E158-V160 VanDerWaalsContact C-N 3.34Å; E158-V160 PolarHBondContact O-N 3.37Å; V160-L163 PolarHBondContact O-N 3.17Å; V160-C164 PolarHBondContact O-N 2.89Å; V160-C164 PolarHBondContact O-SG 3.12Å; V160-C164 VanDerWaalsContact O-SG 3.37Å |
| 161 | H | 85.5 | Confident | 89.5 | Confident | 43 Ų | 43 | 87.8 Ų | 87.8 | 20% | 0.199 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 175 | -63.7 | 166.8 | 0 | 0 | 0 | 112.6 | A95 L157 E158 K159 L163 C164 D165 | A95-H161 PolarHBondContact O-CE1 3.31Å; A95-H161 PolarHBondContact O-NE2 3.13Å; L157-H161 PolarHBondContact O-N 3.36Å; E158-H161 WeakPolarHBondContact O-CB 3.31Å; E158-H161 PolarHBondContact O-N 3.41Å; K159-H161 VanDerWaalsContact C-N 3.32Å; H161-L163 VanDerWaalsContact C-N 3.29Å; H161-L163 PolarHBondContact O-N 3.5Å; H161-C164 PolarHBondContact O-N 3.11Å; H161-D165 WeakPolarHBondContact O-CB 3.3Å; H161-D165 PolarHBondContact O-N 2.83Å |
| 162 | E | 87.3 | Confident | 89.3 | Confident | 131 Ų | 131 | 87.7 Ų | 87.7 | 61% | 0.612 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -56.2 | -42.2 | 172.5 | -70.3 | -170.1 | 138.7 | 0 | 0 | 112.5 | E158 K159 N166 | E158-E162 PolarHBondContact O-N 3.02Å; K159-E162 PolarHBondContact O-N 3.07Å; E162-N166 VanDerWaalsContact O-CB 3.26Å; E162-N166 WeakPolarHBondContact O-CB 3.42Å; E162-N166 PolarHBondContact O-N 2.94Å |
| 163 | L | 87.9 | Confident | 89.1 | Confident | 129 Ų | 129 | 85.2 Ų | 85.2 | 68% | 0.675 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -68.3 | -40.6 | 178.9 | -71.1 | 171.1 | 0 | 0 | 0 | 112.3 | K159 V160 H161 F167 | K159-L163 WeakPolarHBondContact O-CG 3.45Å; K159-L163 PolarHBondContact O-N 3.31Å; K159-L163 VanDerWaalsContact O-N 3.11Å; V160-L163 PolarHBondContact O-N 3.17Å; H161-L163 VanDerWaalsContact C-N 3.29Å; H161-L163 PolarHBondContact O-N 3.5Å; L163-F167 WeakPolarHBondContact O-CB 3.47Å; L163-F167 PolarHBondContact O-N 2.6Å |
| 164 | C | 88.3 | Confident | 88.8 | Confident | 65 Ų | 65 | 84.5 Ų | 84.5 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 173.7 | -74.3 | 0 | 0 | 0 | 0 | 111.5 | V160 H161 N166 F167 C168 | V160-C164 PolarHBondContact O-N 2.89Å; V160-C164 PolarHBondContact O-SG 3.12Å; V160-C164 VanDerWaalsContact O-SG 3.37Å; H161-C164 PolarHBondContact O-N 3.11Å; C164-N166 PolarHBondContact O-N 3.21Å; C164-F167 WeakPolarHBondContact O-CB 3.46Å; C164-F167 PolarHBondContact O-N 3.35Å; C164-C168 WeakPolarHBondContact O-CB 3.42Å; C164-C168 PolarHBondContact O-N 3.07Å; C164-C168 PolarHBondContact O-SG 3.37Å; C164-C168 VanDerWaalsContact O-SG 3.36Å |
| 165 | D | 85.6 | Confident | 88.7 | Confident | 65 Ų | 65 | 87.9 Ų | 87.9 | 35% | 0.348 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 179.6 | -74.2 | -6.6 | 0 | 0 | 0 | 111.7 | R100 H161 F167 C168 H169 | R100-D165 IonicContact CZ-OD2 3.9Å; R100-D165 IonicContact NE-OD2 2.64Å; R100-D165 IonicContact NH1-OD2 1.77Å; R100-D165 PolarHBondContact NH1-OD2 3.43Å; H161-D165 WeakPolarHBondContact O-CB 3.3Å; H161-D165 PolarHBondContact O-N 2.83Å; D165-F167 VanDerWaalsContact C-N 3.33Å; D165-F167 PolarHBondContact O-N 3.11Å; D165-C168 PolarHBondContact O-N 3.48Å; D165-H169 VanDerWaalsContact O-CB 3.24Å; D165-H169 WeakPolarHBondContact O-CB 3.4Å; D165-H169 PolarHBondContact O-N 2.89Å |
| 166 | N | 88.8 | Confident | 88.3 | Confident | 96 Ų | 96 | 94 Ų | 94 | 51% | 0.513 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 174.1 | -164 | -86.4 | 0 | 0 | 0 | 111.7 | E162 C164 R170 | E162-N166 VanDerWaalsContact O-CB 3.26Å; E162-N166 WeakPolarHBondContact O-CB 3.42Å; E162-N166 PolarHBondContact O-N 2.94Å; C164-N166 PolarHBondContact O-N 3.21Å; N166-R170 VanDerWaalsContact O-CB 3.3Å; N166-R170 WeakPolarHBondContact O-CB 3.44Å; N166-R170 WeakPolarHBondContact O-CD 3.28Å; N166-R170 WeakPolarHBondContact O-CG 3.41Å; N166-R170 PolarHBondContact O-N 3.07Å; N166-R170 VanDerWaalsContact O-N 3.09Å; N166-R170 VanDerWaalsContact OD1-CD 3.23Å; N166-R170 WeakPolarHBondContact OD1-CD 3.36Å |
| 167 | F | 91.4 | Very high | 87.7 | Confident | 130 Ų | 130 | 92.8 Ų | 92.8 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.9 | -51.4 | 174.2 | 173.1 | -95.3 | 0 | 0 | 0 | 111.5 | L163 C164 D165 R170 Y171 | L163-F167 WeakPolarHBondContact O-CB 3.47Å; L163-F167 PolarHBondContact O-N 2.6Å; C164-F167 WeakPolarHBondContact O-CB 3.46Å; C164-F167 PolarHBondContact O-N 3.35Å; D165-F167 VanDerWaalsContact C-N 3.33Å; D165-F167 PolarHBondContact O-N 3.11Å; F167-R170 PolarHBondContact O-N 3.02Å; F167-Y171 VanDerWaalsContact O-CB 3.27Å; F167-Y171 WeakPolarHBondContact O-CB 3.45Å; F167-Y171 PolarHBondContact O-N 2.98Å |
| 168 | C | 87.8 | Confident | 87 | Confident | 59 Ų | 59 | 99.5 Ų | 99.5 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 179.6 | -73.9 | 0 | 0 | 0 | 0 | 111.9 | C164 D165 R170 Y171 I172 | C164-C168 WeakPolarHBondContact O-CB 3.42Å; C164-C168 PolarHBondContact O-N 3.07Å; C164-C168 PolarHBondContact O-SG 3.37Å; C164-C168 VanDerWaalsContact O-SG 3.36Å; D165-C168 PolarHBondContact O-N 3.48Å; C168-R170 PolarHBondContact O-N 3.49Å; C168-Y171 PolarHBondContact O-N 3.18Å; C168-Y171 VanDerWaalsContact O-N 3.17Å; C168-I172 WeakPolarHBondContact O-CB 3.25Å; C168-I172 VanDerWaalsContact O-CG1 3.28Å; C168-I172 WeakPolarHBondContact O-CG1 3.28Å; C168-I172 PolarHBondContact O-N 2.85Å |
| 169 | H | 87.4 | Confident | 86 | Confident | 141 Ų | 141 | 103 Ų | 103 | 65% | 0.653 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58 | -47.6 | 177.2 | -175.8 | 100.7 | 0 | 0 | 0 | 111.7 | D165 Y171 S173 | D165-H169 VanDerWaalsContact O-CB 3.24Å; D165-H169 WeakPolarHBondContact O-CB 3.4Å; D165-H169 PolarHBondContact O-N 2.89Å; H169-Y171 VanDerWaalsContact C-N 3.34Å; H169-Y171 PolarHBondContact O-N 3.48Å; H169-S173 VanDerWaalsContact O-CB 3.22Å; H169-S173 WeakPolarHBondContact O-CB 3.4Å; H169-S173 PolarHBondContact O-N 3.21Å |
| 170 | R | 88.9 | Confident | 84.5 | Confident | 162 Ų | 162 | 100.9 Ų | 100.9 | 61% | 0.611 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 175.9 | -77.2 | 169.3 | 45.7 | 153.2 | -4.6 | 112.7 | N166 F167 C168 C174 | N166-R170 VanDerWaalsContact O-CB 3.3Å; N166-R170 WeakPolarHBondContact O-CB 3.44Å; N166-R170 WeakPolarHBondContact O-CD 3.28Å; N166-R170 WeakPolarHBondContact O-CG 3.41Å; N166-R170 PolarHBondContact O-N 3.07Å; N166-R170 VanDerWaalsContact O-N 3.09Å; N166-R170 VanDerWaalsContact OD1-CD 3.23Å; N166-R170 WeakPolarHBondContact OD1-CD 3.36Å; F167-R170 PolarHBondContact O-N 3.02Å; C168-R170 PolarHBondContact O-N 3.49Å; R170-C174 VanDerWaalsContact O-CB 3.28Å; R170-C174 WeakPolarHBondContact O-CB 3.13Å; R170-C174 PolarHBondContact O-N 3.09Å; R170-C174 PolarHBondContact O-SG 2.59Å |
| 171 | Y | 91.3 | Very high | 83.1 | Confident | 133 Ų | 133 | 102.9 Ų | 102.9 | 52% | 0.522 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.8 | -48.8 | -179.6 | -176 | -113.3 | 0 | 0 | 0 | 110.9 | F167 C168 H169 S173 C174 L175 | F167-Y171 VanDerWaalsContact O-CB 3.27Å; F167-Y171 WeakPolarHBondContact O-CB 3.45Å; F167-Y171 PolarHBondContact O-N 2.98Å; C168-Y171 PolarHBondContact O-N 3.18Å; C168-Y171 VanDerWaalsContact O-N 3.17Å; H169-Y171 VanDerWaalsContact C-N 3.34Å; H169-Y171 PolarHBondContact O-N 3.48Å; Y171-S173 PolarHBondContact O-N 3.35Å; Y171-C174 CarbonylContact O-C 3.51Å; Y171-C174 WeakPolarHBondContact O-CA 3.32Å; Y171-C174 WeakPolarHBondContact O-CB 3.39Å; Y171-C174 PolarHBondContact O-N 2.97Å; Y171-C174 VanDerWaalsContact O-N 3.12Å; Y171-L175 HydrophobicContact CD1-CD1 3.96Å; Y171-L175 HydrophobicContact CE1-CD1 3.56Å; Y171-L175 HydrophobicContact CE1-CG 4.32Å; Y171-L175 WeakPolarHBondContact O-CG 3.46Å; Y171-L175 PolarHBondContact O-N 3.13Å |
| 172 | I | 88.3 | Confident | 81.7 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 44% | 0.441 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 174.5 | -66.4 | 164.5 | 0 | 0 | 0 | 110.8 | C168 C174 L175 K176 | C168-I172 WeakPolarHBondContact O-CB 3.25Å; C168-I172 VanDerWaalsContact O-CG1 3.28Å; C168-I172 WeakPolarHBondContact O-CG1 3.28Å; C168-I172 PolarHBondContact O-N 2.85Å; I172-C174 VanDerWaalsContact C-N 3.33Å; I172-C174 PolarHBondContact O-N 3.39Å; I172-L175 PolarHBondContact O-N 2.65Å; I172-K176 HydrophobicContact CG2-CD 4.13Å; I172-K176 HydrophobicContact CG2-CG 4.38Å; I172-K176 WeakPolarHBondContact O-CB 3.42Å; I172-K176 WeakPolarHBondContact O-CG 3.07Å; I172-K176 PolarHBondContact O-N 2.9Å |
| 173 | S | 88.4 | Confident | 80.2 | Confident | 69 Ų | 69 | 107 Ų | 107 | 48% | 0.483 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.3 | -42.8 | 174.2 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | H169 Y171 L175 G177 | H169-S173 VanDerWaalsContact O-CB 3.22Å; H169-S173 WeakPolarHBondContact O-CB 3.4Å; H169-S173 PolarHBondContact O-N 3.21Å; Y171-S173 PolarHBondContact O-N 3.35Å; S173-L175 VanDerWaalsContact C-N 3.34Å; S173-L175 PolarHBondContact O-N 3.17Å; S173-G177 PolarHBondContact O-N 3.16Å |
| 174 | C | 87.1 | Confident | 78.7 | Confident | 67 Ų | 67 | 106 Ų | 106 | 45% | 0.453 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.6 | -24.9 | 175.7 | -75.3 | 0 | 0 | 0 | 0 | 114.2 | R170 Y171 I172 K178 | R170-C174 VanDerWaalsContact O-CB 3.28Å; R170-C174 WeakPolarHBondContact O-CB 3.13Å; R170-C174 PolarHBondContact O-N 3.09Å; R170-C174 PolarHBondContact O-SG 2.59Å; Y171-C174 CarbonylContact O-C 3.51Å; Y171-C174 WeakPolarHBondContact O-CA 3.32Å; Y171-C174 WeakPolarHBondContact O-CB 3.39Å; Y171-C174 PolarHBondContact O-N 2.97Å; Y171-C174 VanDerWaalsContact O-N 3.12Å; I172-C174 VanDerWaalsContact C-N 3.33Å; I172-C174 PolarHBondContact O-N 3.39Å; C174-K178 WeakPolarHBondContact O-CB 3.48Å; C174-K178 VanDerWaalsContact O-CD 3.23Å; C174-K178 WeakPolarHBondContact O-CD 3.15Å; C174-K178 WeakPolarHBondContact O-CG 3.01Å |
| 175 | L | 87.9 | Confident | 77.1 | Confident | 73 Ų | 73 | 109.3 Ų | 109.3 | 38% | 0.382 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -78.8 | -51 | 172.4 | -72.7 | 175.1 | 0 | 0 | 0 | 110.8 | Y171 I172 S173 G177 K178 M179 | Y171-L175 HydrophobicContact CD1-CD1 3.96Å; Y171-L175 HydrophobicContact CE1-CD1 3.56Å; Y171-L175 HydrophobicContact CE1-CG 4.32Å; Y171-L175 WeakPolarHBondContact O-CG 3.46Å; Y171-L175 PolarHBondContact O-N 3.13Å; I172-L175 PolarHBondContact O-N 2.65Å; S173-L175 VanDerWaalsContact C-N 3.34Å; S173-L175 PolarHBondContact O-N 3.17Å; L175-G177 PolarHBondContact O-N 3.42Å; L175-K178 PolarHBondContact O-N 3.09Å; L175-M179 PolarHBondContact O-N 3.27Å |
| 176 | K | 82 | Confident | 75.5 | Confident | 171 Ų | 171 | 113.2 Ų | 113.2 | 74% | 0.743 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -56.3 | -35.6 | 176 | -72.6 | -175.9 | 175.8 | -174 | 0 | 112.3 | I172 K178 | I172-K176 HydrophobicContact CG2-CD 4.13Å; I172-K176 HydrophobicContact CG2-CG 4.38Å; I172-K176 WeakPolarHBondContact O-CB 3.42Å; I172-K176 WeakPolarHBondContact O-CG 3.07Å; I172-K176 PolarHBondContact O-N 2.9Å; K176-K178 VanDerWaalsContact C-N 3.32Å; K176-K178 PolarHBondContact O-N 3.37Å |
| 177 | G | 79.3 | Confident | 73.8 | Confident | 68 Ų | 68 | 116.5 Ų | 116.5 | 70% | 0.701 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 11.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | S173 L175 | S173-G177 PolarHBondContact O-N 3.16Å; L175-G177 PolarHBondContact O-N 3.42Å |
| 178 | K | 74.8 | Confident | 71.9 | Confident | 166 Ų | 166 | 122.2 Ų | 122.2 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.8 | -23.4 | 179.4 | -74 | -179.5 | -167.8 | 170.7 | 0 | 114.9 | C174 L175 K176 | C174-K178 WeakPolarHBondContact O-CB 3.48Å; C174-K178 VanDerWaalsContact O-CD 3.23Å; C174-K178 WeakPolarHBondContact O-CD 3.15Å; C174-K178 WeakPolarHBondContact O-CG 3.01Å; L175-K178 PolarHBondContact O-N 3.09Å; K176-K178 VanDerWaalsContact C-N 3.32Å; K176-K178 PolarHBondContact O-N 3.37Å |
| 179 | M | 66.9 | Low | 70.1 | Confident | 117 Ų | 117 | 129.2 Ų | 129.2 | 58% | 0.576 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -67.3 | 130.8 | 169.8 | -74 | -172 | 65.2 | 0 | 0 | 109.3 | L175 I181 | L175-M179 PolarHBondContact O-N 3.27Å; M179-I181 PolarHBondContact O-N 2.75Å |
| 180 | P | 57.7 | Low | 68.1 | Low | 70 Ų | 70 | 126.6 Ų | 126.6 | 46% | 0.455 | 66% | 0.661 | S | S | . | * | trans | -59.3 | 134.6 | 166.1 | -20.1 | 32.7 | 0 | 0 | 0 | 109.5 | D182 | P180-D182 PolarHBondContact O-N 3.38Š| ||
| 181 | I | 61.8 | Low | 65.7 | Low | 120 Ų | 120 | 122.5 Ų | 122.5 | 62% | 0.615 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -68.2 | -25.3 | 177.3 | -148.1 | 74 | 0 | 0 | 0 | 110.9 | M179 L183 V184 | M179-I181 PolarHBondContact O-N 2.75Å; I181-L183 PolarHBondContact O-N 2.96Å; I181-V184 PolarHBondContact O-N 2.84Å |
| 182 | D | 57.3 | Low | 63.2 | Low | 118 Ų | 118 | 122 Ų | 122 | 63% | 0.631 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -66.4 | -17.8 | -173.4 | -39.4 | -62.7 | 0 | 0 | 0 | 113.2 | P180 V184 | P180-D182 PolarHBondContact O-N 3.38Å; D182-V184 VanDerWaalsContact C-N 3.28Å; D182-V184 PolarHBondContact O-N 3.04Å |
| 183 | L | 55.6 | Low | 61.1 | Low | 142 Ų | 142 | 128 Ų | 128 | 74% | 0.743 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -85.1 | 4.7 | 174.7 | -78.6 | 168.5 | 0 | 0 | 0 | 113.8 | I181 | I181-L183 PolarHBondContact O-N 2.96Š|
| 184 | V | 57.1 | Low | 58.5 | Low | 108 Ų | 108 | 130.3 Ų | 130.3 | 66% | 0.655 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -122.7 | -4.1 | -178.1 | -165.9 | 0 | 0 | 0 | 0 | 111.9 | I181 D182 | I181-V184 PolarHBondContact O-N 2.84Å; D182-V184 VanDerWaalsContact C-N 3.28Å; D182-V184 PolarHBondContact O-N 3.04Å |
| 185 | I | 54.6 | Low | 56.3 | Low | 134 Ų | 134 | 134.6 Ų | 134.6 | 69% | 0.687 | 74% | 0.743 | S | S | * | * | trans | -136.3 | 62.7 | -178.2 | -41.8 | 179.9 | 0 | 0 | 0 | 110.5 | ||||
| 186 | D | 52 | Low | 53.6 | Low | 147 Ų | 147 | 138.9 Ų | 138.9 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -135.6 | 70.6 | 173.5 | -158.4 | -24 | 0 | 0 | 0 | 110 | ||||
| 187 | D | 52.7 | Low | 51.8 | Low | 166 Ų | 166 | 139.1 Ų | 139.1 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -168 | 18 | 167.2 | -125.6 | -27.8 | 0 | 0 | 0 | 115.1 | ||
| 188 | R | 52 | Low | 49.8 | Very low | 249 Ų | 249 | 144.1 Ų | 144.1 | 94% | 0.94 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -148.7 | 34 | -175.4 | -152.5 | 165.5 | 170.4 | 153.9 | -1 | 118.7 | ||
| 189 | E | 49.8 | Very low | 47.8 | Very low | 207 Ų | 207 | 142 Ų | 142 | 97% | 0.967 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -147.6 | 105.3 | 157 | -161.6 | 170.1 | 172 | 0 | 0 | 113.2 | ||
| 190 | G | 44.1 | Very low | 46.3 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | 152.2 | 89.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 191 | G | 39.7 | Very low | 45.1 | Very low | 76 Ų | 76 | 148.8 Ų | 148.8 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 165.3 | 90 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 192 | S | 39 | Very low | 43.8 | Very low | 122 Ų | 122 | 147.8 Ų | 147.8 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 2.1 | 123.6 | 156.3 | -57.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 193 | K | 43.2 | Very low | 42.8 | Very low | 213 Ų | 213 | 149.1 Ų | 149.1 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | trans | 5 | 125.6 | 146.3 | -63.3 | 178.4 | 174.8 | -177 | 0 | 119.3 | ||||
| 194 | S | 34.8 | Very low | 41.6 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | -161.3 | 144.4 | 118.4 | -166 | 0 | 0 | 0 | 0 | 111 | |||||
| 195 | D | 40.2 | Very low | 40.3 | Very low | 157 Ų | 157 | 150.4 Ų | 150.4 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | trans | -72.2 | 144.1 | 156.7 | -69 | -72.7 | 0 | 0 | 0 | 110 | ||||
| 196 | N | 32.1 | Very low | 39.1 | Very low | 163 Ų | 163 | 151.1 Ų | 151.1 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | trans | -165.4 | 164.3 | 134.5 | -152 | -1.8 | 0 | 0 | 0 | 110.2 | ||||
| 197 | E | 43.3 | Very low | 38.2 | Very low | 176 Ų | 176 | 152.6 Ų | 152.6 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | trans | -102.5 | 165.2 | -166.8 | -60.8 | -172.4 | 84.8 | 0 | 0 | 116.2 | ||||
| 198 | E | 37.8 | Very low | 37.1 | Very low | 172 Ų | 172 | 150.4 Ų | 150.4 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | 82.7 | 154.8 | 150.6 | -113.9 | -158.4 | 127.2 | 0 | 0 | 123.9 | ||||
| 199 | I | 33.1 | Very low | 36 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 63% | 0.626 | 81% | 0.813 | S | S | * | * | trans | 79.9 | 75.9 | 154 | -67.6 | 161.9 | 0 | 0 | 0 | 120.4 | ||||
| 200 | T | 34.3 | Very low | 35.1 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 68% | 0.681 | 81% | 0.813 | S | S | * | * | trans | 66.7 | 142.5 | 133.8 | 63.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 201 | R | 32.8 | Very low | 34.8 | Very low | 218 Ų | 218 | 148.1 Ų | 148.1 | 82% | 0.823 | 81% | 0.807 | S | S | * | * | trans | 87.4 | 93.7 | 145.2 | -86.6 | -173.7 | -76.2 | -171.1 | -5.2 | 120.7 | ||||
| 202 | S | 34.3 | Very low | 34.5 | Very low | 100 Ų | 100 | 154.8 Ų | 154.8 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | 107.8 | 143.5 | 114.8 | -62 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 203 | V | 36.2 | Very low | 34.1 | Very low | 146 Ų | 146 | 154.7 Ų | 154.7 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | 57 | 97.3 | 164.1 | -62.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 204 | A | 29.5 | Very low | 33.5 | Very low | 101 Ų | 101 | 153.3 Ų | 153.3 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -148.5 | 152.2 | 143.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 205 | L | 31.7 | Very low | 33.4 | Very low | 176 Ų | 176 | 154 Ų | 154 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -70.1 | 136.8 | 177 | -135.9 | 71.2 | 0 | 0 | 0 | 110 | ||||
| 206 | D | 29 | Very low | 33.1 | Very low | 148 Ų | 148 | 154.1 Ų | 154.1 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -73.9 | 146.7 | 171.6 | -172.7 | -133.2 | 0 | 0 | 0 | 111.5 | ||||
| 207 | Q | 31.8 | Very low | 33.4 | Very low | 178 Ų | 178 | 151.8 Ų | 151.8 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -103 | 84.1 | -166.4 | -177 | 175.6 | 96.1 | 0 | 0 | 110.4 | S209 | Q207-S209 PolarHBondContact O-N 3.47Š| ||
| 208 | T | 31.4 | Very low | 32.9 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -63.4 | 102.9 | -178.4 | -47 | 0 | 0 | 0 | 0 | 111.8 | W210 | T208-W210 PolarHBondContact O-N 3.47Š| ||
| 209 | S | 28.7 | Very low | 32.7 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | -61.1 | 123.5 | -178.3 | -180 | 0 | 0 | 0 | 0 | 113.2 | Q207 N211 | Q207-S209 PolarHBondContact O-N 3.47Å; S209-N211 PolarHBondContact O-N 3.02Å | ||
| 210 | W | 30.7 | Very low | 32.6 | Very low | 258 Ų | 258 | 146.3 Ų | 146.3 | 98% | 0.977 | 79% | 0.793 | S | S | * | * | trans | -88.3 | 71.8 | 164.9 | -75.4 | 91.3 | 0 | 0 | 0 | 110.5 | T208 | T208-W210 PolarHBondContact O-N 3.47Š| ||
| 211 | N | 37.4 | Very low | 32.5 | Very low | 140 Ų | 140 | 152.4 Ų | 152.4 | 75% | 0.749 | 80% | 0.804 | S | S | * | * | trans | -154.2 | 82.4 | 175 | -151.9 | 18.1 | 0 | 0 | 0 | 113.4 | S209 | S209-N211 PolarHBondContact O-N 3.02Š| ||
| 212 | R | 33.4 | Very low | 32.5 | Very low | 216 Ų | 216 | 147.8 Ų | 147.8 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | trans | 178.1 | 153.1 | 161.2 | -102 | -179.9 | 106.3 | 137.9 | 18.7 | 108.5 | ||||
| 213 | D | 29.8 | Very low | 32.4 | Very low | 120 Ų | 120 | 147.1 Ų | 147.1 | 64% | 0.642 | 81% | 0.814 | S | S | * | * | cis | -131.1 | 160.2 | 1.8 | -93.1 | -69.2 | 0 | 0 | 0 | 110.9 | ||||
| 214 | H | 31.1 | Very low | 32 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -130.3 | 151.9 | 145.9 | -165.8 | 62.7 | 0 | 0 | 0 | 107.9 | ||||
| 215 | D | 33.8 | Very low | 32.1 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | -64.6 | 143.1 | -160.5 | -129.5 | -86 | 0 | 0 | 0 | 114.2 | ||||
| 216 | D | 33.3 | Very low | 32.8 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -154.3 | 142.4 | 133.9 | -135.8 | -31.4 | 0 | 0 | 0 | 111.1 | ||||
| 217 | T | 37.9 | Very low | 32.7 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | trans | -106.2 | 119.8 | -159.7 | -177.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 218 | A | 32.9 | Very low | 33.6 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -142.7 | 90.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 219 | S | 33 | Very low | 33.6 | Very low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -99.8 | 127.8 | 174.6 | -81.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 220 | T | 31.4 | Very low | 33.8 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -131.9 | 117.2 | 171.9 | 52 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 221 | R | 31.7 | Very low | 33.7 | Very low | 239 Ų | 239 | 128.3 Ų | 128.3 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | -162.8 | 105.7 | 149.1 | -121 | 174.3 | -178.4 | -118 | -2.9 | 115.2 | ||||
| 222 | S | 33.1 | Very low | 33.2 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | 46.2 | 119.7 | 132.3 | -50.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 223 | G | 32.3 | Very low | 33.1 | Very low | 86 Ų | 86 | 122.9 Ų | 122.9 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 167.7 | 97.4 | 150 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 224 | G | 27.8 | Very low | 33.3 | Very low | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 122 | 133.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 225 | T | 31.9 | Very low | 33.7 | Very low | 139 Ų | 139 | 119 Ų | 119 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -133.4 | 171.4 | 168.9 | 51.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 226 | P | 47 | Very low | 34 | Very low | 126 Ų | 126 | 121.1 Ų | 121.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | cis | -122.9 | -169.5 | -2.2 | 35.3 | -15.3 | 0 | 0 | 0 | 113.6 | ||||
| 227 | G | 27.1 | Very low | 34.1 | Very low | 69 Ų | 69 | 118.5 Ų | 118.5 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -84.8 | -150.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 228 | P | 51 | Low | 34.1 | Very low | 120 Ų | 120 | 116.1 Ų | 116.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | cis | -141.2 | -170.1 | 12 | 43.2 | -24.1 | 0 | 0 | 0 | 116.5 | ||||
| 229 | S | 29.5 | Very low | 34.2 | Very low | 103 Ų | 103 | 119 Ų | 119 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | 83.2 | 126 | 148 | -62.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 230 | S | 34.1 | Very low | 34.5 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | trans | 57.4 | 125 | 134.6 | 66.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 231 | G | 28.8 | Very low | 34.8 | Very low | 72 Ų | 72 | 117.9 Ų | 117.9 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | 121.9 | 112.6 | 107.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 232 | G | 26.8 | Very low | 35.4 | Very low | 75 Ų | 75 | 110.3 Ų | 110.3 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | 69.7 | -174.7 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 233 | H | 30.2 | Very low | 35.6 | Very low | 167 Ų | 167 | 112.1 Ų | 112.1 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | cis | -174 | 172.1 | -23.4 | 44.3 | -176.9 | 0 | 0 | 0 | 110.3 | ||||
| 234 | T | 34.5 | Very low | 35.9 | Very low | 122 Ų | 122 | 116.5 Ų | 116.5 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 75.5 | 121.8 | 179.3 | 74.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 235 | S | 40.6 | Very low | 36.4 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | 77 | 140.9 | 74.3 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 236 | H | 39.5 | Very low | 36.8 | Very low | 175 Ų | 175 | 118 Ų | 118 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | cis | -162.7 | 163 | 6.5 | -118.3 | -158.2 | 0 | 0 | 0 | 106.7 | ||||
| 237 | S | 35.8 | Very low | 36.3 | Very low | 105 Ų | 105 | 115.4 Ų | 115.4 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | cis | -151.3 | -172.1 | 2 | -73.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 238 | G | 36.2 | Very low | 37.1 | Very low | 64 Ų | 64 | 119.8 Ų | 119.8 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | cis | -172.5 | -175.5 | 5.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 239 | D | 35.2 | Very low | 36.3 | Very low | 159 Ų | 159 | 121.3 Ų | 121.3 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | -66.9 | 168.3 | -166.6 | -46.8 | -90.7 | 0 | 0 | 0 | 114.6 | ||||
| 240 | N | 40.5 | Very low | 36.6 | Very low | 139 Ų | 139 | 123.1 Ų | 123.1 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | cis | -173.9 | 143.6 | 43 | -174.7 | 61.7 | 0 | 0 | 0 | 114.6 | ||||
| 241 | S | 38.3 | Very low | 37.1 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | 52.1 | 153.3 | 154.2 | -74 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 242 | S | 42.7 | Very low | 37.9 | Very low | 80 Ų | 80 | 126 Ų | 126 | 56% | 0.559 | 77% | 0.765 | S | S | * | * | cis | -163.8 | 148.3 | -5.8 | -116.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 243 | E | 37.9 | Very low | 38.6 | Very low | 159 Ų | 159 | 127 Ų | 127 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | 54.7 | 154.5 | 144.7 | -65.3 | 157.6 | 99.7 | 0 | 0 | 119.3 | ||||
| 244 | Q | 39.3 | Very low | 39.2 | Very low | 177 Ų | 177 | 124.9 Ų | 124.9 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | cis | -155.6 | 158.2 | -1.6 | -123.4 | 169.6 | 30.4 | 0 | 0 | 104.7 | ||||
| 245 | G | 38.3 | Very low | 40.4 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | cis | 176.3 | 164.2 | 1.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 246 | D | 39.3 | Very low | 40.1 | Very low | 177 Ų | 177 | 125.2 Ų | 125.2 | 95% | 0.947 | 77% | 0.774 | S | S | * | * | trans | -68.7 | 148.5 | -177.4 | -88.9 | -63.2 | 0 | 0 | 0 | 114.1 | ||||
| 247 | G | 37.5 | Very low | 40.6 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -161.5 | 112.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 248 | L | 42.5 | Very low | 40.7 | Very low | 161 Ų | 161 | 121.9 Ų | 121.9 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -93.8 | 164.3 | 179 | -69.3 | 171.5 | 0 | 0 | 0 | 112 | ||||
| 249 | D | 34.8 | Very low | 40.9 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 106.5 | 139 | 140.6 | 98.4 | 63.7 | 0 | 0 | 0 | 122.8 | ||||
| 250 | N | 35.4 | Very low | 41.3 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 76.6 | 136.5 | 151.2 | -156.5 | 42.1 | 0 | 0 | 0 | 122.7 | ||||
| 251 | S | 44.9 | Very low | 41.6 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -95.5 | 138 | -174.5 | -53.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 252 | V | 46.3 | Very low | 42.2 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | trans | -137.5 | 150.1 | 153.6 | -71.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 253 | A | 41.6 | Very low | 42.7 | Very low | 96 Ų | 96 | 127.5 Ų | 127.5 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -118.8 | 139.2 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 254 | S | 42.3 | Very low | 43.2 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | -179.1 | 162.1 | 145.6 | -83.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 255 | P | 58.8 | Low | 43.7 | Very low | 121 Ų | 121 | 123.2 Ų | 123.2 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -110.4 | 148.6 | -164.7 | 39 | -32 | 0 | 0 | 0 | 116.6 | ||||
| 256 | S | 34.9 | Very low | 44.1 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -164.4 | 117.8 | 158.4 | -87.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 257 | T | 49.4 | Very low | 44.7 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | 59.9 | 117.8 | 85.6 | 65.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 258 | G | 39.3 | Very low | 45.3 | Very low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 116.2 | 84.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 259 | D | 40.3 | Very low | 45.4 | Very low | 158 Ų | 158 | 132.4 Ų | 132.4 | 85% | 0.845 | 75% | 0.752 | S | S | * | * | 77 | 75.1 | 56 | -143.7 | -111 | 0 | 0 | 0 | 111.1 | D261 | D259-D261 PolarHBondContact O-N 3.3Š| |||
| 260 | D | 43.8 | Very low | 45.8 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -76.4 | 107.8 | 174.1 | -69.5 | -79.3 | 0 | 0 | 0 | 110.7 | D262 | D260-D262 PolarHBondContact O-N 3.11Å; D260-D262 VanDerWaalsContact O-N 3.08Å | ||
| 261 | D | 47 | Very low | 46.4 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | -73.1 | 96 | 174.8 | -162 | -69.5 | 0 | 0 | 0 | 110.2 | D259 P263 | D259-D261 PolarHBondContact O-N 3.3Å; D261-P263 VanDerWaalsContact O-CD 3.31Å; D261-P263 WeakPolarHBondContact O-CD 3.28Å | ||
| 262 | D | 50.8 | Low | 46.7 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 47% | 0.471 | 76% | 0.759 | S | S | . | * | trans | -91.1 | 103.8 | 174 | 170.3 | -117 | 0 | 0 | 0 | 110.3 | D260 D264 K265 | D260-D262 PolarHBondContact O-N 3.11Å; D260-D262 VanDerWaalsContact O-N 3.08Å; D262-D264 VanDerWaalsContact C-N 3.29Å; D262-D264 PolarHBondContact O-N 3.44Å; D262-K265 WeakPolarHBondContact OD1-CE 3.49Å; D262-K265 IonicContact OD1-NZ 3.78Å | ||
| 263 | P | 51.7 | Low | 47.2 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -2.7 | -166.9 | 30.5 | -37.1 | 0 | 0 | 0 | 115 | D261 | D261-P263 VanDerWaalsContact O-CD 3.31Å; D261-P263 WeakPolarHBondContact O-CD 3.28Å |
| 264 | D | 49.9 | Very low | 48.1 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 52% | 0.519 | 76% | 0.762 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | -15.7 | -174.9 | -145.1 | -106.4 | 0 | 0 | 0 | 114.3 | D262 E266 K267 | D262-D264 VanDerWaalsContact C-N 3.29Å; D262-D264 PolarHBondContact O-N 3.44Å; D264-E266 VanDerWaalsContact C-N 3.3Å; D264-E266 PolarHBondContact O-N 3.11Å; D264-K267 IonicContact OD2-NZ 3.77Å; D264-K267 PolarHBondContact OD2-NZ 3.43Å |
| 265 | K | 49.1 | Very low | 49.9 | Very low | 150 Ų | 150 | 143.5 Ų | 143.5 | 65% | 0.652 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -62.3 | -27.8 | -177.6 | -82.1 | 167.8 | -171.7 | 155.2 | 0 | 115 | D262 K267 K268 | D262-K265 WeakPolarHBondContact OD1-CE 3.49Å; D262-K265 IonicContact OD1-NZ 3.78Å; K265-K267 VanDerWaalsContact C-N 3.26Å; K265-K267 PolarHBondContact O-N 3.46Å; K265-K268 PolarHBondContact O-N 2.97Å |
| 266 | E | 47.5 | Very low | 51.3 | Low | 173 Ų | 173 | 140.5 Ų | 140.5 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -59.5 | -34.1 | -176.3 | -73.4 | -141.8 | 114.7 | 0 | 0 | 113.4 | D264 K268 | D264-E266 VanDerWaalsContact C-N 3.3Å; D264-E266 PolarHBondContact O-N 3.11Å; E266-K268 PolarHBondContact O-N 3.19Å |
| 267 | K | 50.5 | Low | 53.9 | Low | 164 Ų | 164 | 139.2 Ų | 139.2 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -62.2 | -19.1 | -174.5 | -67.8 | 167.1 | -174 | 162.8 | 0 | 113.7 | D264 K265 | D264-K267 IonicContact OD2-NZ 3.77Å; D264-K267 PolarHBondContact OD2-NZ 3.43Å; K265-K267 VanDerWaalsContact C-N 3.26Å; K265-K267 PolarHBondContact O-N 3.46Å |
| 268 | K | 49.8 | Very low | 55.7 | Low | 188 Ų | 188 | 141.1 Ų | 141.1 | 82% | 0.817 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -95 | -12.9 | -168.2 | -144.7 | 164 | -172.7 | 171.7 | 0 | 115.1 | K265 E266 | K265-K268 PolarHBondContact O-N 2.97Å; E266-K268 PolarHBondContact O-N 3.19Å |
| 269 | H | 45.2 | Very low | 58.2 | Low | 150 Ų | 150 | 142.8 Ų | 142.8 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | trans | -92.5 | -10.7 | -169.4 | -107.6 | -55.4 | 0 | 0 | 0 | 116.9 | K271 | H269-K271 PolarHBondContact O-N 3.19Š| ||
| 270 | N | 44.2 | Very low | 60.8 | Low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 68% | 0.675 | S | S | * | * | trans | -82.1 | 33.6 | -173.9 | -89.9 | -16.7 | 0 | 0 | 0 | 115.8 | K272 | N270-K272 PolarHBondContact O-N 3.04Š| ||
| 271 | K | 47.3 | Very low | 63.1 | Low | 210 Ų | 210 | 129 Ų | 129 | 91% | 0.913 | 64% | 0.642 | S | S | * | * | trans | -88.2 | 25 | 167.6 | -68.3 | -173.1 | 176.6 | -179.6 | 0 | 113.5 | H269 | H269-K271 PolarHBondContact O-N 3.19Š| ||
| 272 | K | 51.3 | Low | 65.4 | Low | 169 Ų | 169 | 127 Ų | 127 | 74% | 0.735 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -82.4 | 142.2 | 167.7 | -67.7 | 172.8 | -177.6 | 170.3 | 0 | 108.5 | N270 G274 | N270-K272 PolarHBondContact O-N 3.04Å; K272-G274 PolarHBondContact O-N 3.41Å |
| 273 | R | 56.3 | Low | 67.5 | Low | 232 Ų | 232 | 125.1 Ų | 125.1 | 88% | 0.875 | 62% | 0.621 | S | S | * | * | trans | -45.7 | 133.3 | -171.8 | -68.4 | 178.5 | 179.7 | 155.2 | 1.7 | 111.9 | I275 | R273-I275 WeakPolarHBondContact O-CG1 2.82Å; R273-I275 PolarHBondContact O-N 3Å | ||
| 274 | G | 61 | Low | 69.6 | Low | 85 Ų | 85 | 120.2 Ų | 120.2 | 88% | 0.876 | 59% | 0.589 | S | S | * | * | trans | -53.9 | 97.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K272 | K272-G274 PolarHBondContact O-N 3.41Š| ||
| 275 | I | 79.4 | Confident | 71.7 | Confident | 152 Ų | 152 | 121 Ų | 121 | 78% | 0.779 | 59% | 0.585 | S | S | * | * | trans | -111.4 | 121 | 171.1 | -68.6 | 163.2 | 0 | 0 | 0 | 105.8 | R273 | R273-I275 WeakPolarHBondContact O-CG1 2.82Å; R273-I275 PolarHBondContact O-N 3Å | ||
| 276 | F | 87.9 | Confident | 73.9 | Confident | 57 Ų | 57 | 116.2 Ų | 116.2 | 25% | 0.25 | 57% | 0.573 | C | S | . | * | trans | -62.9 | 153.5 | 177.7 | -60.6 | -59.9 | 0 | 0 | 0 | 111.2 | T281 M284 L311 Q315 W319 | F276-T281 PolarHBondContact O-OG1 3Å; F276-M284 HydrophobicContact CD2-CE 4.2Å; F276-L311 HydrophobicContact CB-CD1 4.25Å; F276-L311 HydrophobicContact CD1-CD1 3.74Å; F276-L311 HydrophobicContact CD1-CD2 3.51Å; F276-L311 HydrophobicContact CD1-CG 4.3Å; F276-L311 HydrophobicContact CD2-CD1 4.25Å; F276-L311 HydrophobicContact CE1-CD1 4.1Å; F276-L311 HydrophobicContact CE1-CD2 3.94Å; F276-L311 HydrophobicContact CG-CD1 3.83Å; F276-L311 HydrophobicContact CG-CD2 4.29Å; F276-L311 HydrophobicContact CZ-CD1 4.49Å; F276-Q315 HydrophobicContact CE1-CB 3.93Å; F276-Q315 HydrophobicContact CE1-CG 3.95Å; F276-Q315 HydrophobicContact CZ-CB 3.81Å; F276-Q315 HydrophobicContact CZ-CG 4.07Å; F276-W319 AromaticContact CD2-CD1 3.71Å; F276-W319 HydrophobicContact CE2-CB 4.24Å; F276-W319 AromaticContact CE2-CD1 3.84Å; F276-W319 HydrophobicContact CE2-CG 4.44Å | ||
| 277 | P | 89.8 | Confident | 76.2 | Confident | 81 Ų | 81 | 109.2 Ų | 109.2 | 53% | 0.526 | 54% | 0.539 | S | S | . | . | trans | -49 | 147.2 | 176.2 | -28.7 | 35.5 | 0 | 0 | 0 | 112.7 | V279 A280 T281 | P277-V279 VanDerWaalsContact C-N 3.26Å; P277-V279 PolarHBondContact O-N 3.37Å; P277-A280 HydrophobicContact CB-CB 4.18Å; P277-A280 PolarHBondContact O-N 3.31Å; P277-T281 WeakPolarHBondContact O-CB 3.48Å; P277-T281 PolarHBondContact O-N 3.15Å; P277-T281 PolarHBondContact O-OG1 3.32Å | ||
| 278 | K | 88.1 | Confident | 78.3 | Confident | 181 Ų | 181 | 101.4 Ų | 101.4 | 79% | 0.787 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.4 | -40.9 | -179.9 | -69.4 | -178 | -179.3 | 175.8 | 0 | 111.6 | T281 N282 | K278-T281 PolarHBondContact O-N 3.31Å; K278-N282 WeakPolarHBondContact O-CB 3.32Å; K278-N282 PolarHBondContact O-N 3.48Å; K278-N282 PolarHBondContact O-OD1 3.44Å |
| 279 | V | 92.1 | Very high | 80.3 | Confident | 105 Ų | 105 | 97.1 Ų | 97.1 | 64% | 0.636 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.6 | -54.7 | 176.4 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | P277 T281 N282 I283 | P277-V279 VanDerWaalsContact C-N 3.26Å; P277-V279 PolarHBondContact O-N 3.37Å; V279-T281 VanDerWaalsContact C-N 3.32Å; V279-T281 PolarHBondContact O-N 3.18Å; V279-N282 PolarHBondContact O-N 2.93Å; V279-N282 VanDerWaalsContact O-N 3.08Å; V279-I283 HydrophobicContact CG1-CD1 4.04Å; V279-I283 WeakPolarHBondContact O-CG1 3.32Å; V279-I283 PolarHBondContact O-N 3.16Å |
| 280 | A | 93.3 | Very high | 82.6 | Confident | 2 Ų | 2 | 97 Ų | 97 | 2% | 0.017 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -54.7 | -45.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P277 N282 I283 M284 T309 L311 | P277-A280 HydrophobicContact CB-CB 4.18Å; P277-A280 PolarHBondContact O-N 3.31Å; A280-N282 VanDerWaalsContact C-N 3.34Å; A280-N282 PolarHBondContact O-N 2.94Å; A280-I283 PolarHBondContact O-N 3.17Å; A280-M284 PolarHBondContact O-N 2.81Å; A280-T309 HydrophobicContact CB-CG2 4.13Å; A280-L311 HydrophobicContact CB-CD1 4.13Å; A280-L311 HydrophobicContact CB-CG 4.34Å |
| 281 | T | 93.8 | Very high | 84.8 | Confident | 25 Ų | 25 | 92.5 Ų | 92.5 | 15% | 0.153 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.8 | -35.8 | 178.2 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | F276 P277 K278 V279 R285 W319 | F276-T281 PolarHBondContact O-OG1 3Å; P277-T281 WeakPolarHBondContact O-CB 3.48Å; P277-T281 PolarHBondContact O-N 3.15Å; P277-T281 PolarHBondContact O-OG1 3.32Å; K278-T281 PolarHBondContact O-N 3.31Å; V279-T281 VanDerWaalsContact C-N 3.32Å; V279-T281 PolarHBondContact O-N 3.18Å; T281-R285 HydrophobicContact CG2-CG 4.48Å; T281-R285 WeakPolarHBondContact O-CB 3.5Å; T281-R285 WeakPolarHBondContact O-CG 3.39Å; T281-R285 PolarHBondContact O-N 3.24Å; T281-W319 HydrophobicContact CG2-CZ2 4.45Å |
| 282 | N | 95 | Very high | 86.8 | Confident | 103 Ų | 103 | 85.2 Ų | 85.2 | 55% | 0.551 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69.5 | -40.5 | 178.2 | -73.5 | -5.8 | 0 | 0 | 0 | 111.9 | K278 V279 A280 R285 A286 | K278-N282 WeakPolarHBondContact O-CB 3.32Å; K278-N282 PolarHBondContact O-N 3.48Å; K278-N282 PolarHBondContact O-OD1 3.44Å; V279-N282 PolarHBondContact O-N 2.93Å; V279-N282 VanDerWaalsContact O-N 3.08Å; A280-N282 VanDerWaalsContact C-N 3.34Å; A280-N282 PolarHBondContact O-N 2.94Å; N282-R285 PolarHBondContact O-N 2.95Å; N282-A286 WeakPolarHBondContact O-CB 3.22Å; N282-A286 PolarHBondContact O-N 2.99Å |
| 283 | I | 94.4 | Very high | 88.4 | Confident | 50 Ų | 50 | 83 Ų | 83 | 26% | 0.256 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.2 | -51.3 | 175.7 | -66.6 | 163.7 | 0 | 0 | 0 | 110.2 | V279 A280 R285 A286 W287 L305 D308 T309 | V279-I283 HydrophobicContact CG1-CD1 4.04Å; V279-I283 WeakPolarHBondContact O-CG1 3.32Å; V279-I283 PolarHBondContact O-N 3.16Å; A280-I283 PolarHBondContact O-N 3.17Å; I283-R285 VanDerWaalsContact C-N 3.31Å; I283-R285 PolarHBondContact O-N 3.49Å; I283-A286 PolarHBondContact O-N 3.32Å; I283-W287 PolarHBondContact O-N 2.95Å; I283-W287 VanDerWaalsContact O-N 3.09Å; I283-L305 HydrophobicContact CG2-CD2 3.9Å; I283-D308 HydrophobicContact CD1-CB 4.41Å; I283-D308 WeakPolarHBondContact CD1-O 3.26Å; I283-D308 HydrophobicContact CG2-CB 4.19Å; I283-T309 HydrophobicContact CB-CG2 3.92Å; I283-T309 HydrophobicContact CD1-CG2 4.22Å; I283-T309 HydrophobicContact CG2-CG2 3.84Å |
| 284 | M | 96 | Very high | 89.9 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 178 | -64.2 | -174.2 | -73.9 | 0 | 0 | 112.7 | F276 A280 L288 T309 L311 V316 W319 F320 | F276-M284 HydrophobicContact CD2-CE 4.2Å; A280-M284 PolarHBondContact O-N 2.81Å; M284-L288 WeakPolarHBondContact O-CB 3.32Å; M284-L288 PolarHBondContact O-N 3.01Å; M284-T309 HydrophobicContact CG-CG2 4.05Å; M284-L311 HydrophobicContact CE-CD1 3.56Å; M284-L311 HydrophobicContact SD-CD1 4.16Å; M284-V316 HydrophobicContact SD-CG1 4.43Å; M284-V316 HydrophobicContact SD-CG2 4.3Å; M284-W319 HydrophobicContact CB-CD2 3.95Å; M284-W319 HydrophobicContact CB-CE3 3.63Å; M284-W319 HydrophobicContact CB-CH2 3.82Å; M284-W319 HydrophobicContact CB-CZ2 4.09Å; M284-W319 HydrophobicContact CB-CZ3 3.57Å; M284-W319 HydrophobicContact CE-CB 4.21Å; M284-W319 HydrophobicContact CE-CD2 3.89Å; M284-W319 HydrophobicContact CE-CG 3.65Å; M284-W319 HydrophobicContact CG-CE3 4.36Å; M284-W319 HydrophobicContact SD-CB 3.89Å; M284-W319 HydrophobicContact SD-CD2 3.8Å; M284-W319 HydrophobicContact SD-CE3 4.03Å; M284-W319 HydrophobicContact SD-CG 3.73Å; M284-F320 HydrophobicContact CB-CE2 4.07Å; M284-F320 HydrophobicContact CB-CZ 4.11Å; M284-F320 HydrophobicContact CG-CE2 4.09Å; M284-F320 HydrophobicContact SD-CE2 4.38Å |
| 285 | R | 93.5 | Very high | 91.3 | Very high | 114 Ų | 114 | 75.2 Ų | 75.2 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 172.1 | -79.4 | 174.9 | 177.7 | -121.5 | 0.4 | 112.6 | T281 N282 I283 W287 L288 F289 W319 | T281-R285 HydrophobicContact CG2-CG 4.48Å; T281-R285 WeakPolarHBondContact O-CB 3.5Å; T281-R285 WeakPolarHBondContact O-CG 3.39Å; T281-R285 PolarHBondContact O-N 3.24Å; N282-R285 PolarHBondContact O-N 2.95Å; I283-R285 VanDerWaalsContact C-N 3.31Å; I283-R285 PolarHBondContact O-N 3.49Å; R285-W287 PolarHBondContact O-N 3Å; R285-L288 PolarHBondContact O-N 3.39Å; R285-F289 HydrophobicContact CB-CD2 4.26Å; R285-F289 HydrophobicContact CB-CE2 4.11Å; R285-F289 HydrophobicContact CG-CE2 4.44Å; R285-F289 WeakPolarHBondContact O-CD2 3.46Å; R285-F289 PolarHBondContact O-N 2.91Å; R285-W319 HydrophobicContact CG-CH2 3.85Å; R285-W319 HydrophobicContact CG-CZ2 3.81Å |
| 286 | A | 95.8 | Very high | 92 | Very high | 48 Ų | 48 | 75.2 Ų | 75.2 | 40% | 0.397 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N282 I283 L288 F289 Q290 | N282-A286 WeakPolarHBondContact O-CB 3.22Å; N282-A286 PolarHBondContact O-N 2.99Å; I283-A286 PolarHBondContact O-N 3.32Å; A286-L288 PolarHBondContact O-N 2.96Å; A286-F289 PolarHBondContact O-N 3.39Å; A286-Q290 VanDerWaalsContact O-CG 3.3Å; A286-Q290 WeakPolarHBondContact O-CG 3.4Å; A286-Q290 PolarHBondContact O-N 2.99Å |
| 287 | W | 96.3 | Very high | 92.3 | Very high | 26 Ų | 26 | 73.1 Ų | 73.1 | 10% | 0.098 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 174.1 | -169.6 | 99.2 | 0 | 0 | 0 | 111.6 | I283 R285 F289 Q290 H291 P297 L305 F320 | I283-W287 PolarHBondContact O-N 2.95Å; I283-W287 VanDerWaalsContact O-N 3.09Å; R285-W287 PolarHBondContact O-N 3Å; W287-F289 VanDerWaalsContact C-N 3.34Å; W287-F289 PolarHBondContact O-N 3.21Å; W287-Q290 PolarHBondContact O-N 3.09Å; W287-H291 AromaticContact CD1-CE1 3.78Å; W287-H291 AromaticContact CD1-ND1 3.97Å; W287-H291 AromaticContact CD2-CE1 3.97Å; W287-H291 AromaticContact CD2-ND1 3.48Å; W287-H291 AromaticContact CE2-CE1 3.46Å; W287-H291 VanDerWaalsContact CE2-CE1 3.46Å; W287-H291 AromaticContact CE2-CG 3.79Å; W287-H291 AromaticContact CE2-ND1 3.35Å; W287-H291 AromaticContact CE2-NE2 3.93Å; W287-H291 HydrophobicContact CE3-CB 4.13Å; W287-H291 AromaticContact CE3-ND1 3.9Å; W287-H291 AromaticContact CG-ND1 3.86Å; W287-H291 HydrophobicContact CH2-CB 3.65Å; W287-H291 AromaticContact CH2-CG 3.64Å; W287-H291 HydrophobicContact CZ2-CB 4.12Å; W287-H291 AromaticContact CZ2-CD2 3.69Å; W287-H291 AromaticContact CZ2-CE1 3.83Å; W287-H291 AromaticContact CZ2-CG 3.56Å; W287-H291 AromaticContact CZ2-ND1 3.65Å; W287-H291 AromaticContact CZ2-NE2 3.85Å; W287-H291 HydrophobicContact CZ3-CB 3.68Å; W287-H291 AromaticContact CZ3-CG 3.97Å; W287-H291 AromaticContact NE1-CE1 3.37Å; W287-H291 PolarHBondContact NE1-CE1 3.46Å; W287-H291 AromaticContact NE1-ND1 3.69Å; W287-H291 AromaticContact NE1-NE2 3.96Å; W287-H291 PolarHBondContact O-N 3.46Å; W287-H291 VanDerWaalsContact O-N 3.08Å; W287-H291 PolarHBondContact O-ND1 3.24Å; W287-P297 VanDerWaalsContact CH2-CA 3.48Å; W287-P297 HydrophobicContact CH2-CB 3.63Å; W287-P297 HydrophobicContact CH2-CG 4.18Å; W287-P297 HydrophobicContact CZ2-CB 3.68Å; W287-P297 HydrophobicContact CZ3-CB 4.07Å; W287-P297 HydrophobicContact CZ3-CG 4.22Å; W287-L305 HydrophobicContact CB-CD1 4.41Å; W287-L305 HydrophobicContact CB-CD2 4.06Å; W287-L305 HydrophobicContact CD2-CD1 4.15Å; W287-L305 HydrophobicContact CG-CD1 3.94Å; W287-L305 HydrophobicContact CG-CD2 4.27Å; W287-F320 HydrophobicContact CB-CZ 4.5Å; W287-F320 HydrophobicContact CD2-CE1 4.44Å; W287-F320 HydrophobicContact CD2-CZ 4.32Å; W287-F320 HydrophobicContact CE3-CD1 4.4Å; W287-F320 AromaticContact CE3-CE1 3.43Å; W287-F320 HydrophobicContact CE3-CE1 3.43Å; W287-F320 VanDerWaalsContact CE3-CE1 3.43Å; W287-F320 AromaticContact CE3-CZ 3.71Å; W287-F320 HydrophobicContact CE3-CZ 3.71Å; W287-F320 HydrophobicContact CZ3-CD1 4.39Å; W287-F320 AromaticContact CZ3-CE1 3.83Å; W287-F320 HydrophobicContact CZ3-CE1 3.83Å; W287-F320 HydrophobicContact CZ3-CZ 4.43Å |
| 288 | L | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.2 | -41 | 179.3 | -176.9 | 66.6 | 0 | 0 | 0 | 112.8 | M284 R285 A286 H291 L292 P295 W319 F320 A323 R324 I327 V328 | M284-L288 WeakPolarHBondContact O-CB 3.32Å; M284-L288 PolarHBondContact O-N 3.01Å; R285-L288 PolarHBondContact O-N 3.39Å; A286-L288 PolarHBondContact O-N 2.96Å; L288-H291 CarbonylContact O-C 3.43Å; L288-H291 PolarHBondContact O-N 3.26Å; L288-L292 PolarHBondContact O-N 3.48Å; L288-P295 HydrophobicContact CD1-CB 3.6Å; L288-W319 HydrophobicContact CB-CH2 4.45Å; L288-W319 HydrophobicContact CB-CZ3 4.33Å; L288-W319 HydrophobicContact CD2-CH2 3.95Å; L288-W319 HydrophobicContact CD2-CZ3 4.07Å; L288-F320 HydrophobicContact CB-CE1 3.99Å; L288-F320 HydrophobicContact CD1-CD1 4.16Å; L288-F320 HydrophobicContact CD1-CE1 4.04Å; L288-A323 HydrophobicContact CD2-CB 3.75Å; L288-R324 HydrophobicContact CD1-CG 4.46Å; L288-I327 HydrophobicContact CD2-CD1 4.01Å; L288-V328 HydrophobicContact CD1-CG2 4.1Å |
| 289 | F | 91.6 | Very high | 92.9 | Very high | 99 Ų | 99 | 69.1 Ų | 69.1 | 43% | 0.434 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.9 | -29.7 | 179.5 | -71.5 | -55.8 | 0 | 0 | 0 | 113 | R285 A286 W287 H291 L292 I327 | R285-F289 HydrophobicContact CB-CD2 4.26Å; R285-F289 HydrophobicContact CB-CE2 4.11Å; R285-F289 HydrophobicContact CG-CE2 4.44Å; R285-F289 WeakPolarHBondContact O-CD2 3.46Å; R285-F289 PolarHBondContact O-N 2.91Å; A286-F289 PolarHBondContact O-N 3.39Å; W287-F289 VanDerWaalsContact C-N 3.34Å; W287-F289 PolarHBondContact O-N 3.21Å; F289-H291 VanDerWaalsContact C-N 3.31Å; F289-L292 HydrophobicContact CD1-CD1 4.3Å; F289-L292 HydrophobicContact CD1-CD2 4.12Å; F289-L292 HydrophobicContact CD1-CG 4.41Å; F289-I327 HydrophobicContact CE1-CG2 4.13Å; F289-I327 HydrophobicContact CZ-CG2 4.48Å |
| 290 | Q | 92.9 | Very high | 93.1 | Very high | 146 Ų | 146 | 69.6 Ų | 69.6 | 68% | 0.682 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -67.9 | -30.9 | 170.2 | -71.3 | 165.5 | -6.5 | 0 | 0 | 112.4 | A286 W287 | A286-Q290 VanDerWaalsContact O-CG 3.3Å; A286-Q290 WeakPolarHBondContact O-CG 3.4Å; A286-Q290 PolarHBondContact O-N 2.99Å; W287-Q290 PolarHBondContact O-N 3.09Å |
| 291 | H | 91.8 | Very high | 93.2 | Very high | 58 Ų | 58 | 72.7 Ų | 72.7 | 27% | 0.269 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 34.9 | -173.6 | -58.1 | 82.2 | 0 | 0 | 0 | 112.9 | W287 L288 F289 T293 H294 P295 | W287-H291 AromaticContact CD1-CE1 3.78Å; W287-H291 AromaticContact CD1-ND1 3.97Å; W287-H291 AromaticContact CD2-CE1 3.97Å; W287-H291 AromaticContact CD2-ND1 3.48Å; W287-H291 AromaticContact CE2-CE1 3.46Å; W287-H291 VanDerWaalsContact CE2-CE1 3.46Å; W287-H291 AromaticContact CE2-CG 3.79Å; W287-H291 AromaticContact CE2-ND1 3.35Å; W287-H291 AromaticContact CE2-NE2 3.93Å; W287-H291 HydrophobicContact CE3-CB 4.13Å; W287-H291 AromaticContact CE3-ND1 3.9Å; W287-H291 AromaticContact CG-ND1 3.86Å; W287-H291 HydrophobicContact CH2-CB 3.65Å; W287-H291 AromaticContact CH2-CG 3.64Å; W287-H291 HydrophobicContact CZ2-CB 4.12Å; W287-H291 AromaticContact CZ2-CD2 3.69Å; W287-H291 AromaticContact CZ2-CE1 3.83Å; W287-H291 AromaticContact CZ2-CG 3.56Å; W287-H291 AromaticContact CZ2-ND1 3.65Å; W287-H291 AromaticContact CZ2-NE2 3.85Å; W287-H291 HydrophobicContact CZ3-CB 3.68Å; W287-H291 AromaticContact CZ3-CG 3.97Å; W287-H291 AromaticContact NE1-CE1 3.37Å; W287-H291 PolarHBondContact NE1-CE1 3.46Å; W287-H291 AromaticContact NE1-ND1 3.69Å; W287-H291 AromaticContact NE1-NE2 3.96Å; W287-H291 PolarHBondContact O-N 3.46Å; W287-H291 VanDerWaalsContact O-N 3.08Å; W287-H291 PolarHBondContact O-ND1 3.24Å; L288-H291 CarbonylContact O-C 3.43Å; L288-H291 PolarHBondContact O-N 3.26Å; F289-H291 VanDerWaalsContact C-N 3.31Å; H291-T293 PolarHBondContact O-N 3.24Å; H291-H294 CarbonylContact O-C 3.57Å; H291-H294 PolarHBondContact O-N 3.47Å; H291-P295 VanDerWaalsContact O-CA 3.24Å; H291-P295 WeakPolarHBondContact O-CA 3.49Å; H291-P295 WeakPolarHBondContact O-CD 3.29Å |
| 292 | L | 87.9 | Confident | 93.3 | Very high | 57 Ų | 57 | 73.4 Ų | 73.4 | 30% | 0.298 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -57.4 | -31.9 | -176.8 | -79.5 | 172.1 | 0 | 0 | 0 | 114.5 | L288 F289 V328 M331 | L288-L292 PolarHBondContact O-N 3.48Å; F289-L292 HydrophobicContact CD1-CD1 4.3Å; F289-L292 HydrophobicContact CD1-CD2 4.12Å; F289-L292 HydrophobicContact CD1-CG 4.41Å; L292-V328 HydrophobicContact CD2-CG2 4.06Å; L292-M331 HydrophobicContact CD1-CE 4.29Å |
| 293 | T | 84.9 | Confident | 93.4 | Very high | 122 Ų | 122 | 72.8 Ų | 72.8 | 75% | 0.748 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -72.4 | -41 | 178.6 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | H291 | H291-T293 PolarHBondContact O-N 3.24Š|
| 294 | H | 87.8 | Confident | 93.5 | Very high | 146 Ų | 146 | 74.7 Ų | 74.7 | 68% | 0.676 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -132 | 74.7 | 177.9 | -66.8 | -80.6 | 0 | 0 | 0 | 110.8 | H291 Y296 | H291-H294 CarbonylContact O-C 3.57Å; H291-H294 PolarHBondContact O-N 3.47Å; H294-Y296 PolarHBondContact O-N 3.03Å |
| 295 | P | 90.5 | Very high | 93.6 | Very high | 7 Ų | 7 | 75 Ų | 75 | 5% | 0.045 | 36% | 0.362 | C | S | . | . | trans | -76.7 | 38.7 | -173.9 | 32.5 | -39 | 0 | 0 | 0 | 113.6 | L288 H291 P297 R324 V328 | L288-P295 HydrophobicContact CD1-CB 3.6Å; H291-P295 VanDerWaalsContact O-CA 3.24Å; H291-P295 WeakPolarHBondContact O-CA 3.49Å; H291-P295 WeakPolarHBondContact O-CD 3.29Å; P295-P297 WeakPolarHBondContact O-CD 3.2Å; P295-R324 HydrophobicContact CB-CG 3.77Å; P295-R324 HydrophobicContact CG-CG 3.72Å; P295-R324 WeakPolarHBondContact O-CD 3.39Å; P295-V328 HydrophobicContact CB-CG2 4.39Å; P295-V328 HydrophobicContact CG-CG1 4.29Å; P295-V328 HydrophobicContact CG-CG2 4.32Å | ||
| 296 | Y | 94.7 | Very high | 93.7 | Very high | 152 Ų | 152 | 70.1 Ų | 70.1 | 60% | 0.596 | 35% | 0.346 | S | S | * | . | trans | -116 | 85.5 | -173.7 | -69.4 | -108.2 | 0 | 0 | 0 | 108.3 | H294 S298 R324 | H294-Y296 PolarHBondContact O-N 3.03Å; Y296-S298 PolarHBondContact O-N 3.44Å; Y296-R324 VanDerWaalsContact CD1-NH1 3.25Å | ||
| 297 | P | 93.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 74.8 Ų | 74.8 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | trans | -62.8 | 137 | 179.5 | 25.1 | -32.8 | 0 | 0 | 0 | 110.4 | W287 P295 Q301 K302 L305 F320 | W287-P297 VanDerWaalsContact CH2-CA 3.48Å; W287-P297 HydrophobicContact CH2-CB 3.63Å; W287-P297 HydrophobicContact CH2-CG 4.18Å; W287-P297 HydrophobicContact CZ2-CB 3.68Å; W287-P297 HydrophobicContact CZ3-CB 4.07Å; W287-P297 HydrophobicContact CZ3-CG 4.22Å; P295-P297 WeakPolarHBondContact O-CD 3.2Å; P297-Q301 HydrophobicContact CB-CB 3.9Å; P297-K302 HydrophobicContact CB-CG 4.21Å; P297-K302 HydrophobicContact CG-CG 4.12Å; P297-K302 VanDerWaalsContact O-CE 3.28Å; P297-K302 WeakPolarHBondContact O-CE 3.43Å; P297-L305 HydrophobicContact CB-CD1 4.43Å; P297-F320 HydrophobicContact CG-CD1 4.26Å; P297-F320 HydrophobicContact CG-CD2 4.19Å; P297-F320 HydrophobicContact CG-CG 4.06Å | ||
| 298 | S | 95.7 | Very high | 93.7 | Very high | 59 Ų | 59 | 77.4 Ų | 77.4 | 41% | 0.413 | 38% | 0.375 | S | S | . | . | trans | -64.6 | 165.3 | 173.5 | 72.1 | 0 | 0 | 0 | 0 | 111.7 | Y296 E300 Q301 K302 | Y296-S298 PolarHBondContact O-N 3.44Å; S298-E300 PolarHBondContact O-N 3.47Å; S298-Q301 PolarHBondContact O-N 2.89Å; S298-Q301 VanDerWaalsContact O-N 3.14Å; S298-Q301 WeakPolarHBondContact OG-CG 3.33Å; S298-Q301 PolarHBondContact OG-N 3.33Å; S298-Q301 PolarHBondContact OG-OE1 3.08Å; S298-K302 VanDerWaalsContact O-CG 3.29Å; S298-K302 WeakPolarHBondContact O-CG 3.36Å; S298-K302 PolarHBondContact O-N 3.35Å | ||
| 299 | E | 95.3 | Very high | 93.7 | Very high | 119 Ų | 119 | 78.2 Ų | 78.2 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -44.7 | -48.4 | 171.6 | -75.5 | -77 | 96.6 | 0 | 0 | 112.6 | K302 K303 | E299-K302 PolarHBondContact O-N 2.99Å; E299-K302 IonicContact OE1-NZ 2.69Å; E299-K302 PolarHBondContact OE1-NZ 3.17Å; E299-K302 VanDerWaalsContact OE1-NZ 3.13Å; E299-K303 WeakPolarHBondContact O-CG 3.38Å; E299-K303 PolarHBondContact O-N 3.43Å; E299-K303 VanDerWaalsContact O-N 3.12Å |
| 300 | E | 96 | Very high | 93.9 | Very high | 115 Ų | 115 | 76.9 Ų | 76.9 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.8 | -38.8 | -177.9 | -151.9 | 57.4 | -139.1 | 0 | 0 | 112.5 | S298 K302 K303 Q304 | S298-E300 PolarHBondContact O-N 3.47Å; E300-K302 VanDerWaalsContact C-N 3.29Å; E300-K302 PolarHBondContact O-N 2.92Å; E300-K303 WeakPolarHBondContact O-CB 3.38Å; E300-K303 PolarHBondContact O-N 2.82Å; E300-K303 VanDerWaalsContact O-N 3.16Å; E300-K303 IonicContact OE1-NZ 2.84Å; E300-K303 WeakPolarHBondContact OE2-CE 3.46Å; E300-K303 IonicContact OE2-NZ 3.13Å; E300-K303 PolarHBondContact OE2-NZ 3.2Å; E300-Q304 PolarHBondContact O-N 3.02Å |
| 301 | Q | 96.1 | Very high | 93.9 | Very high | 68 Ų | 68 | 70.9 Ų | 70.9 | 32% | 0.318 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 174 | -70.7 | 171.8 | -37.9 | 0 | 0 | 111.7 | P297 S298 L305 | P297-Q301 HydrophobicContact CB-CB 3.9Å; S298-Q301 PolarHBondContact O-N 2.89Å; S298-Q301 VanDerWaalsContact O-N 3.14Å; S298-Q301 WeakPolarHBondContact OG-CG 3.33Å; S298-Q301 PolarHBondContact OG-N 3.33Å; S298-Q301 PolarHBondContact OG-OE1 3.08Å; Q301-L305 VanDerWaalsContact O-CB 3.29Å; Q301-L305 WeakPolarHBondContact O-CB 3.36Å; Q301-L305 WeakPolarHBondContact O-CD1 3.33Å; Q301-L305 WeakPolarHBondContact O-CG 3.38Å; Q301-L305 PolarHBondContact O-N 2.99Å |
| 302 | K | 96.5 | Very high | 94.1 | Very high | 40 Ų | 40 | 71.7 Ų | 71.7 | 17% | 0.174 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 173.1 | -62.8 | 162.8 | -171.6 | 176.2 | 0 | 112.1 | P297 S298 E299 E300 A306 I313 N317 | P297-K302 HydrophobicContact CB-CG 4.21Å; P297-K302 HydrophobicContact CG-CG 4.12Å; P297-K302 VanDerWaalsContact O-CE 3.28Å; P297-K302 WeakPolarHBondContact O-CE 3.43Å; S298-K302 VanDerWaalsContact O-CG 3.29Å; S298-K302 WeakPolarHBondContact O-CG 3.36Å; S298-K302 PolarHBondContact O-N 3.35Å; E299-K302 PolarHBondContact O-N 2.99Å; E299-K302 IonicContact OE1-NZ 2.69Å; E299-K302 PolarHBondContact OE1-NZ 3.17Å; E299-K302 VanDerWaalsContact OE1-NZ 3.13Å; E300-K302 VanDerWaalsContact C-N 3.29Å; E300-K302 PolarHBondContact O-N 2.92Å; K302-A306 VanDerWaalsContact O-CB 3.28Å; K302-A306 WeakPolarHBondContact O-CB 3.43Å; K302-A306 PolarHBondContact O-N 3.31Å; K302-I313 HydrophobicContact CB-CG2 4.31Å; K302-N317 VanDerWaalsContact CD-OD1 3.25Å; K302-N317 WeakPolarHBondContact CD-OD1 3.45Å; K302-N317 WeakPolarHBondContact CE-OD1 3.4Å; K302-N317 PolarHBondContact NZ-OD1 3.42Å |
| 303 | K | 96.4 | Very high | 94.4 | Very high | 89 Ų | 89 | 72.6 Ų | 72.6 | 39% | 0.387 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 175.2 | -66.9 | 172.3 | -157.8 | 164.2 | 0 | 111.1 | E299 E300 L305 A306 Q307 I313 | E299-K303 WeakPolarHBondContact O-CG 3.38Å; E299-K303 PolarHBondContact O-N 3.43Å; E299-K303 VanDerWaalsContact O-N 3.12Å; E300-K303 WeakPolarHBondContact O-CB 3.38Å; E300-K303 PolarHBondContact O-N 2.82Å; E300-K303 VanDerWaalsContact O-N 3.16Å; E300-K303 IonicContact OE1-NZ 2.84Å; E300-K303 WeakPolarHBondContact OE2-CE 3.46Å; E300-K303 IonicContact OE2-NZ 3.13Å; E300-K303 PolarHBondContact OE2-NZ 3.2Å; K303-L305 PolarHBondContact O-N 3.03Å; K303-A306 WeakPolarHBondContact O-CB 3.4Å; K303-A306 PolarHBondContact O-N 3.15Å; K303-Q307 PolarHBondContact O-N 2.88Å; K303-I313 HydrophobicContact CG-CD1 3.94Å |
| 304 | Q | 96.9 | Very high | 94.8 | Very high | 90 Ų | 90 | 72.3 Ų | 72.3 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 176.4 | -167.9 | 63.5 | 64.4 | 0 | 0 | 111 | E300 A306 Q307 D308 | E300-Q304 PolarHBondContact O-N 3.02Å; Q304-A306 VanDerWaalsContact C-N 3.28Å; Q304-A306 PolarHBondContact O-N 2.8Å; Q304-Q307 WeakPolarHBondContact O-CB 3.29Å; Q304-Q307 PolarHBondContact O-N 3.18Å; Q304-Q307 VanDerWaalsContact O-N 3.13Å; Q304-D308 PolarHBondContact NE2-OD1 3.09Å; Q304-D308 WeakPolarHBondContact O-CB 3.41Å; Q304-D308 PolarHBondContact O-N 3.25Å |
| 305 | L | 96.5 | Very high | 95 | Very high | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.8 | -32.4 | 176.3 | -71.7 | 166 | 0 | 0 | 0 | 112.6 | I283 W287 P297 Q301 K303 T309 V316 F320 | I283-L305 HydrophobicContact CG2-CD2 3.9Å; W287-L305 HydrophobicContact CB-CD1 4.41Å; W287-L305 HydrophobicContact CB-CD2 4.06Å; W287-L305 HydrophobicContact CD2-CD1 4.15Å; W287-L305 HydrophobicContact CG-CD1 3.94Å; W287-L305 HydrophobicContact CG-CD2 4.27Å; P297-L305 HydrophobicContact CB-CD1 4.43Å; Q301-L305 VanDerWaalsContact O-CB 3.29Å; Q301-L305 WeakPolarHBondContact O-CB 3.36Å; Q301-L305 WeakPolarHBondContact O-CD1 3.33Å; Q301-L305 WeakPolarHBondContact O-CG 3.38Å; Q301-L305 PolarHBondContact O-N 2.99Å; K303-L305 PolarHBondContact O-N 3.03Å; L305-T309 VanDerWaalsContact O-CB 3.28Å; L305-T309 WeakPolarHBondContact O-CB 3.45Å; L305-T309 WeakPolarHBondContact O-CG2 3.33Å; L305-T309 PolarHBondContact O-N 2.69Å; L305-T309 PolarHBondContact O-OG1 3.34Å; L305-V316 HydrophobicContact CB-CG1 4.02Å; L305-F320 HydrophobicContact CD1-CE2 3.8Å; L305-F320 HydrophobicContact CD1-CZ 3.97Å |
| 306 | A | 96.8 | Very high | 95.3 | Very high | 10 Ų | 10 | 68.5 Ų | 68.5 | 8% | 0.083 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K302 K303 Q304 T309 G310 L311 I313 V316 | K302-A306 VanDerWaalsContact O-CB 3.28Å; K302-A306 WeakPolarHBondContact O-CB 3.43Å; K302-A306 PolarHBondContact O-N 3.31Å; K303-A306 WeakPolarHBondContact O-CB 3.4Å; K303-A306 PolarHBondContact O-N 3.15Å; Q304-A306 VanDerWaalsContact C-N 3.28Å; Q304-A306 PolarHBondContact O-N 2.8Å; A306-T309 PolarHBondContact O-N 3.24Å; A306-T309 PolarHBondContact O-OG1 2.91Å; A306-G310 PolarHBondContact O-N 2.82Å; A306-L311 WeakPolarHBondContact CA-O 3.22Å; A306-L311 VanDerWaalsContact CB-O 3.25Å; A306-L311 WeakPolarHBondContact CB-O 3.4Å; A306-L311 PolarHBondContact O-N 3.12Å; A306-I313 HydrophobicContact CB-CG1 3.75Å; A306-V316 HydrophobicContact CB-CG2 4.17Å |
| 307 | Q | 96.7 | Very high | 95.2 | Very high | 146 Ų | 146 | 63.4 Ų | 63.4 | 68% | 0.682 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.9 | -51 | 176.3 | -173.7 | 178.9 | 12.9 | 0 | 0 | 112 | K303 Q304 T309 G310 | K303-Q307 PolarHBondContact O-N 2.88Å; Q304-Q307 WeakPolarHBondContact O-CB 3.29Å; Q304-Q307 PolarHBondContact O-N 3.18Å; Q304-Q307 VanDerWaalsContact O-N 3.13Å; Q307-T309 PolarHBondContact O-N 2.91Å; Q307-G310 PolarHBondContact O-N 3.21Å |
| 308 | D | 95.4 | Very high | 95.3 | Very high | 81 Ų | 81 | 67.2 Ų | 67.2 | 43% | 0.433 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.2 | -25.9 | -177 | -62.3 | -10.5 | 0 | 0 | 0 | 113 | I283 Q304 | I283-D308 HydrophobicContact CD1-CB 4.41Å; I283-D308 WeakPolarHBondContact CD1-O 3.26Å; I283-D308 HydrophobicContact CG2-CB 4.19Å; Q304-D308 PolarHBondContact NE2-OD1 3.09Å; Q304-D308 WeakPolarHBondContact O-CB 3.41Å; Q304-D308 PolarHBondContact O-N 3.25Å |
| 309 | T | 94.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 10% | 0.104 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -103.8 | -11.6 | -175.6 | 63.9 | 0 | 0 | 0 | 0 | 114.4 | A280 I283 M284 L305 A306 Q307 L311 | A280-T309 HydrophobicContact CB-CG2 4.13Å; I283-T309 HydrophobicContact CB-CG2 3.92Å; I283-T309 HydrophobicContact CD1-CG2 4.22Å; I283-T309 HydrophobicContact CG2-CG2 3.84Å; M284-T309 HydrophobicContact CG-CG2 4.05Å; L305-T309 VanDerWaalsContact O-CB 3.28Å; L305-T309 WeakPolarHBondContact O-CB 3.45Å; L305-T309 WeakPolarHBondContact O-CG2 3.33Å; L305-T309 PolarHBondContact O-N 2.69Å; L305-T309 PolarHBondContact O-OG1 3.34Å; A306-T309 PolarHBondContact O-N 3.24Å; A306-T309 PolarHBondContact O-OG1 2.91Å; Q307-T309 PolarHBondContact O-N 2.91Å; T309-L311 PolarHBondContact O-N 3.37Å; T309-L311 WeakPolarHBondContact OG1-CB 3.49Å; T309-L311 WeakPolarHBondContact OG1-CG 3.32Å; T309-L311 PolarHBondContact OG1-N 3Å |
| 310 | G | 94.1 | Very high | 95.3 | Very high | 71 Ų | 71 | 60.4 Ų | 60.4 | 73% | 0.732 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 20.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A306 Q307 | A306-G310 PolarHBondContact O-N 2.82Å; Q307-G310 PolarHBondContact O-N 3.21Å |
| 311 | L | 94.5 | Very high | 95.1 | Very high | 20 Ų | 20 | 58.3 Ų | 58.3 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | trans | -102.3 | 156.1 | 180 | -60.1 | -177.7 | 0 | 0 | 0 | 110.9 | F276 A280 M284 A306 T309 Q315 V316 | F276-L311 HydrophobicContact CB-CD1 4.25Å; F276-L311 HydrophobicContact CD1-CD1 3.74Å; F276-L311 HydrophobicContact CD1-CD2 3.51Å; F276-L311 HydrophobicContact CD1-CG 4.3Å; F276-L311 HydrophobicContact CD2-CD1 4.25Å; F276-L311 HydrophobicContact CE1-CD1 4.1Å; F276-L311 HydrophobicContact CE1-CD2 3.94Å; F276-L311 HydrophobicContact CG-CD1 3.83Å; F276-L311 HydrophobicContact CG-CD2 4.29Å; F276-L311 HydrophobicContact CZ-CD1 4.49Å; A280-L311 HydrophobicContact CB-CD1 4.13Å; A280-L311 HydrophobicContact CB-CG 4.34Å; M284-L311 HydrophobicContact CE-CD1 3.56Å; M284-L311 HydrophobicContact SD-CD1 4.16Å; A306-L311 WeakPolarHBondContact CA-O 3.22Å; A306-L311 VanDerWaalsContact CB-O 3.25Å; A306-L311 WeakPolarHBondContact CB-O 3.4Å; A306-L311 PolarHBondContact O-N 3.12Å; T309-L311 PolarHBondContact O-N 3.37Å; T309-L311 WeakPolarHBondContact OG1-CB 3.49Å; T309-L311 WeakPolarHBondContact OG1-CG 3.32Å; T309-L311 PolarHBondContact OG1-N 3Å; L311-Q315 HydrophobicContact CB-CB 4.13Å; L311-V316 HydrophobicContact CB-CG2 4.06Å | ||
| 312 | T | 95.2 | Very high | 95 | Very high | 76 Ų | 76 | 58.5 Ų | 58.5 | 47% | 0.466 | 31% | 0.314 | S | S | . | . | trans | -71.2 | 152.1 | 172.7 | 73.3 | 0 | 0 | 0 | 0 | 111 | L314 Q315 V316 | T312-L314 PolarHBondContact O-N 2.9Å; T312-L314 VanDerWaalsContact O-N 3.12Å; T312-Q315 WeakPolarHBondContact O-CA 3.5Å; T312-Q315 WeakPolarHBondContact O-CB 3.27Å; T312-Q315 PolarHBondContact O-N 3.23Å; T312-Q315 WeakPolarHBondContact OG1-CG 3.44Å; T312-Q315 PolarHBondContact OG1-N 3.29Å; T312-V316 PolarHBondContact O-N 3.37Å | ||
| 313 | I | 93.1 | Very high | 94.8 | Very high | 75 Ų | 75 | 57 Ų | 57 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.8 | -33.9 | 176.1 | -62.7 | 170.3 | 0 | 0 | 0 | 111 | K302 K303 A306 V316 N317 | K302-I313 HydrophobicContact CB-CG2 4.31Å; K303-I313 HydrophobicContact CG-CD1 3.94Å; A306-I313 HydrophobicContact CB-CG1 3.75Å; I313-V316 PolarHBondContact O-N 2.98Å; I313-N317 WeakPolarHBondContact O-CB 3.37Å; I313-N317 PolarHBondContact O-N 3.38Å; I313-N317 PolarHBondContact O-ND2 3.4Å; I313-N317 VanDerWaalsContact O-ND2 3.11Å |
| 314 | L | 93.3 | Very high | 94.7 | Very high | 117 Ų | 117 | 55.3 Ų | 55.3 | 61% | 0.613 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -67.8 | -38.3 | 174.1 | -177 | 60.3 | 0 | 0 | 0 | 113 | T312 N318 | T312-L314 PolarHBondContact O-N 2.9Å; T312-L314 VanDerWaalsContact O-N 3.12Å; L314-N318 WeakPolarHBondContact CD1-ND2 3.21Å; L314-N318 WeakPolarHBondContact O-CB 3.4Å; L314-N318 PolarHBondContact O-N 3.49Å; L314-N318 PolarHBondContact O-ND2 2.82Å |
| 315 | Q | 93.9 | Very high | 94.4 | Very high | 73 Ų | 73 | 60 Ų | 60 | 34% | 0.341 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 174 | -74.7 | 167.5 | -19.1 | 0 | 0 | 111.3 | F276 L311 T312 N318 W319 | F276-Q315 HydrophobicContact CE1-CB 3.93Å; F276-Q315 HydrophobicContact CE1-CG 3.95Å; F276-Q315 HydrophobicContact CZ-CB 3.81Å; F276-Q315 HydrophobicContact CZ-CG 4.07Å; L311-Q315 HydrophobicContact CB-CB 4.13Å; T312-Q315 WeakPolarHBondContact O-CA 3.5Å; T312-Q315 WeakPolarHBondContact O-CB 3.27Å; T312-Q315 PolarHBondContact O-N 3.23Å; T312-Q315 WeakPolarHBondContact OG1-CG 3.44Å; T312-Q315 PolarHBondContact OG1-N 3.29Å; Q315-N318 PolarHBondContact O-N 2.87Å; Q315-W319 WeakPolarHBondContact O-CB 3.3Å; Q315-W319 PolarHBondContact O-N 3.36Å |
| 316 | V | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.8 | -49.8 | 175 | 177.4 | 0 | 0 | 0 | 0 | 111 | M284 L305 A306 L311 T312 I313 N318 W319 F320 | M284-V316 HydrophobicContact SD-CG1 4.43Å; M284-V316 HydrophobicContact SD-CG2 4.3Å; L305-V316 HydrophobicContact CB-CG1 4.02Å; A306-V316 HydrophobicContact CB-CG2 4.17Å; L311-V316 HydrophobicContact CB-CG2 4.06Å; T312-V316 PolarHBondContact O-N 3.37Å; I313-V316 PolarHBondContact O-N 2.98Å; V316-N318 PolarHBondContact O-N 3.29Å; V316-W319 WeakPolarHBondContact O-CB 3.49Å; V316-W319 PolarHBondContact O-N 3.03Å; V316-W319 VanDerWaalsContact O-N 3.16Å; V316-F320 HydrophobicContact CG1-CD2 3.81Å; V316-F320 HydrophobicContact CG1-CE2 3.92Å; V316-F320 WeakPolarHBondContact O-CD2 3.45Å; V316-F320 PolarHBondContact O-N 3.37Å |
| 317 | N | 93.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 69.7 Ų | 69.7 | 24% | 0.235 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -53 | -51.2 | 175 | -85.5 | -45 | 0 | 0 | 0 | 112 | K302 I313 W319 F320 I321 | K302-N317 VanDerWaalsContact CD-OD1 3.25Å; K302-N317 WeakPolarHBondContact CD-OD1 3.45Å; K302-N317 WeakPolarHBondContact CE-OD1 3.4Å; K302-N317 PolarHBondContact NZ-OD1 3.42Å; I313-N317 WeakPolarHBondContact O-CB 3.37Å; I313-N317 PolarHBondContact O-N 3.38Å; I313-N317 PolarHBondContact O-ND2 3.4Å; I313-N317 VanDerWaalsContact O-ND2 3.11Å; N317-W319 VanDerWaalsContact C-N 3.33Å; N317-W319 PolarHBondContact O-N 3.45Å; N317-F320 PolarHBondContact O-N 3.09Å; N317-I321 VanDerWaalsContact O-CG1 3.32Å; N317-I321 WeakPolarHBondContact O-CG1 3.23Å; N317-I321 PolarHBondContact O-N 2.85Å |
| 318 | N | 93.7 | Very high | 93.1 | Very high | 93 Ų | 93 | 63 Ų | 63 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 179.2 | -82.4 | -65.9 | 0 | 0 | 0 | 112.5 | L314 Q315 V316 N322 | L314-N318 WeakPolarHBondContact CD1-ND2 3.21Å; L314-N318 WeakPolarHBondContact O-CB 3.4Å; L314-N318 PolarHBondContact O-N 3.49Å; L314-N318 PolarHBondContact O-ND2 2.82Å; Q315-N318 PolarHBondContact O-N 2.87Å; V316-N318 PolarHBondContact O-N 3.29Å; N318-N322 WeakPolarHBondContact O-CB 3.43Å; N318-N322 PolarHBondContact O-N 3.23Å; N318-N322 VanDerWaalsContact O-N 3.09Å |
| 319 | W | 95.3 | Very high | 92.4 | Very high | 32 Ų | 32 | 63.8 Ų | 63.8 | 12% | 0.121 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 175 | -170.4 | 93.6 | 0 | 0 | 0 | 111.4 | F276 T281 M284 R285 L288 Q315 V316 N317 I321 N322 A323 | F276-W319 AromaticContact CD2-CD1 3.71Å; F276-W319 HydrophobicContact CE2-CB 4.24Å; F276-W319 AromaticContact CE2-CD1 3.84Å; F276-W319 HydrophobicContact CE2-CG 4.44Å; T281-W319 HydrophobicContact CG2-CZ2 4.45Å; M284-W319 HydrophobicContact CB-CD2 3.95Å; M284-W319 HydrophobicContact CB-CE3 3.63Å; M284-W319 HydrophobicContact CB-CH2 3.82Å; M284-W319 HydrophobicContact CB-CZ2 4.09Å; M284-W319 HydrophobicContact CB-CZ3 3.57Å; M284-W319 HydrophobicContact CE-CB 4.21Å; M284-W319 HydrophobicContact CE-CD2 3.89Å; M284-W319 HydrophobicContact CE-CG 3.65Å; M284-W319 HydrophobicContact CG-CE3 4.36Å; M284-W319 HydrophobicContact SD-CB 3.89Å; M284-W319 HydrophobicContact SD-CD2 3.8Å; M284-W319 HydrophobicContact SD-CE3 4.03Å; M284-W319 HydrophobicContact SD-CG 3.73Å; R285-W319 HydrophobicContact CG-CH2 3.85Å; R285-W319 HydrophobicContact CG-CZ2 3.81Å; L288-W319 HydrophobicContact CB-CH2 4.45Å; L288-W319 HydrophobicContact CB-CZ3 4.33Å; L288-W319 HydrophobicContact CD2-CH2 3.95Å; L288-W319 HydrophobicContact CD2-CZ3 4.07Å; Q315-W319 WeakPolarHBondContact O-CB 3.3Å; Q315-W319 PolarHBondContact O-N 3.36Å; V316-W319 WeakPolarHBondContact O-CB 3.49Å; V316-W319 PolarHBondContact O-N 3.03Å; V316-W319 VanDerWaalsContact O-N 3.16Å; N317-W319 VanDerWaalsContact C-N 3.33Å; N317-W319 PolarHBondContact O-N 3.45Å; W319-I321 PolarHBondContact O-N 2.84Å; W319-N322 PolarHBondContact O-N 3.36Å; W319-A323 HydrophobicContact CD2-CB 4.2Å; W319-A323 HydrophobicContact CE3-CB 3.84Å; W319-A323 HydrophobicContact CH2-CB 3.74Å; W319-A323 HydrophobicContact CZ2-CB 4.11Å; W319-A323 HydrophobicContact CZ3-CB 3.6Å; W319-A323 VanDerWaalsContact O-CB 3.29Å; W319-A323 WeakPolarHBondContact O-CB 3.4Å; W319-A323 PolarHBondContact O-N 2.81Å |
| 320 | F | 95.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.9 | -39 | -179.7 | -87.7 | -77.8 | 0 | 0 | 0 | 113.4 | M284 W287 L288 P297 L305 V316 N317 N322 R324 | M284-F320 HydrophobicContact CB-CE2 4.07Å; M284-F320 HydrophobicContact CB-CZ 4.11Å; M284-F320 HydrophobicContact CG-CE2 4.09Å; M284-F320 HydrophobicContact SD-CE2 4.38Å; W287-F320 HydrophobicContact CB-CZ 4.5Å; W287-F320 HydrophobicContact CD2-CE1 4.44Å; W287-F320 HydrophobicContact CD2-CZ 4.32Å; W287-F320 HydrophobicContact CE3-CD1 4.4Å; W287-F320 AromaticContact CE3-CE1 3.43Å; W287-F320 HydrophobicContact CE3-CE1 3.43Å; W287-F320 VanDerWaalsContact CE3-CE1 3.43Å; W287-F320 AromaticContact CE3-CZ 3.71Å; W287-F320 HydrophobicContact CE3-CZ 3.71Å; W287-F320 HydrophobicContact CZ3-CD1 4.39Å; W287-F320 AromaticContact CZ3-CE1 3.83Å; W287-F320 HydrophobicContact CZ3-CE1 3.83Å; W287-F320 HydrophobicContact CZ3-CZ 4.43Å; L288-F320 HydrophobicContact CB-CE1 3.99Å; L288-F320 HydrophobicContact CD1-CD1 4.16Å; L288-F320 HydrophobicContact CD1-CE1 4.04Å; P297-F320 HydrophobicContact CG-CD1 4.26Å; P297-F320 HydrophobicContact CG-CD2 4.19Å; P297-F320 HydrophobicContact CG-CG 4.06Å; L305-F320 HydrophobicContact CD1-CE2 3.8Å; L305-F320 HydrophobicContact CD1-CZ 3.97Å; V316-F320 HydrophobicContact CG1-CD2 3.81Å; V316-F320 HydrophobicContact CG1-CE2 3.92Å; V316-F320 WeakPolarHBondContact O-CD2 3.45Å; V316-F320 PolarHBondContact O-N 3.37Å; N317-F320 PolarHBondContact O-N 3.09Å; F320-N322 VanDerWaalsContact C-N 3.33Å; F320-N322 PolarHBondContact O-N 2.81Å; F320-R324 WeakPolarHBondContact O-CB 3.24Å; F320-R324 WeakPolarHBondContact O-CD 3.27Å; F320-R324 WeakPolarHBondContact O-CG 3.34Å; F320-R324 PolarHBondContact O-N 2.86Å |
| 321 | I | 92.4 | Very high | 91.1 | Very high | 70 Ų | 70 | 66.9 Ų | 66.9 | 36% | 0.359 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 173.2 | -66.8 | 163.6 | 0 | 0 | 0 | 110.7 | N317 W319 R325 | N317-I321 VanDerWaalsContact O-CG1 3.32Å; N317-I321 WeakPolarHBondContact O-CG1 3.23Å; N317-I321 PolarHBondContact O-N 2.85Å; W319-I321 PolarHBondContact O-N 2.84Å; I321-R325 WeakPolarHBondContact O-CG 3.47Å; I321-R325 PolarHBondContact O-N 3.42Å |
| 322 | N | 93.6 | Very high | 90.4 | Very high | 73 Ų | 73 | 69.3 Ų | 69.3 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.2 | -45 | 179.9 | -161.8 | -99.1 | 0 | 0 | 0 | 112.5 | N318 W319 F320 R325 R326 | N318-N322 WeakPolarHBondContact O-CB 3.43Å; N318-N322 PolarHBondContact O-N 3.23Å; N318-N322 VanDerWaalsContact O-N 3.09Å; W319-N322 PolarHBondContact O-N 3.36Å; F320-N322 VanDerWaalsContact C-N 3.33Å; F320-N322 PolarHBondContact O-N 2.81Å; N322-R325 PolarHBondContact O-N 3.34Å; N322-R326 WeakPolarHBondContact O-CB 3.22Å; N322-R326 PolarHBondContact O-N 3.47Å; N322-R326 VanDerWaalsContact O-N 3.12Å; N322-R326 WeakPolarHBondContact OD1-CD 3.28Å; N322-R326 PolarHBondContact OD1-NH1 2.85Å |
| 323 | A | 93.2 | Very high | 89.6 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 6% | 0.058 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.6 | -41.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L288 W319 R325 R326 I327 | L288-A323 HydrophobicContact CD2-CB 3.75Å; W319-A323 HydrophobicContact CD2-CB 4.2Å; W319-A323 HydrophobicContact CE3-CB 3.84Å; W319-A323 HydrophobicContact CH2-CB 3.74Å; W319-A323 HydrophobicContact CZ2-CB 4.11Å; W319-A323 HydrophobicContact CZ3-CB 3.6Å; W319-A323 VanDerWaalsContact O-CB 3.29Å; W319-A323 WeakPolarHBondContact O-CB 3.4Å; W319-A323 PolarHBondContact O-N 2.81Å; A323-R325 PolarHBondContact O-N 2.91Å; A323-R326 PolarHBondContact O-N 3.17Å; A323-I327 HydrophobicContact CB-CD1 4.35Å; A323-I327 WeakPolarHBondContact O-CB 3.43Å; A323-I327 PolarHBondContact O-N 3.17Å |
| 324 | R | 94.1 | Very high | 89 | Confident | 54 Ų | 54 | 72.7 Ų | 72.7 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -56.1 | -47.4 | 172.4 | -85.1 | 163 | 24.8 | -172.6 | -1.6 | 113 | L288 P295 Y296 F320 R326 V328 Q329 | L288-R324 HydrophobicContact CD1-CG 4.46Å; P295-R324 HydrophobicContact CB-CG 3.77Å; P295-R324 HydrophobicContact CG-CG 3.72Å; P295-R324 WeakPolarHBondContact O-CD 3.39Å; Y296-R324 VanDerWaalsContact CD1-NH1 3.25Å; F320-R324 WeakPolarHBondContact O-CB 3.24Å; F320-R324 WeakPolarHBondContact O-CD 3.27Å; F320-R324 WeakPolarHBondContact O-CG 3.34Å; F320-R324 PolarHBondContact O-N 2.86Å; R324-R326 VanDerWaalsContact C-N 3.29Å; R324-R326 PolarHBondContact O-N 2.88Å; R324-V328 HydrophobicContact CG-CG2 4.43Å; R324-V328 PolarHBondContact O-N 2.91Å; R324-Q329 PolarHBondContact O-N 3.4Å |
| 325 | R | 90.7 | Very high | 88.1 | Confident | 188 Ų | 188 | 70.1 Ų | 70.1 | 71% | 0.709 | 34% | 0.336 | S | S | * | . | I | π-helix | trans | -68.4 | -24.7 | 179.6 | -69.7 | 178.9 | -179.5 | -179.8 | 1.9 | 113.5 | I321 N322 A323 | I321-R325 WeakPolarHBondContact O-CG 3.47Å; I321-R325 PolarHBondContact O-N 3.42Å; N322-R325 PolarHBondContact O-N 3.34Å; A323-R325 PolarHBondContact O-N 2.91Å |
| 326 | R | 90.4 | Very high | 87.1 | Confident | 182 Ų | 182 | 71.3 Ų | 71.3 | 69% | 0.687 | 35% | 0.345 | S | S | * | . | I | π-helix | trans | -103.1 | -22.4 | -175.7 | -73.9 | -177.1 | 168.2 | 170.6 | -14.1 | 115.6 | N322 A323 R324 | N322-R326 WeakPolarHBondContact O-CB 3.22Å; N322-R326 PolarHBondContact O-N 3.47Å; N322-R326 VanDerWaalsContact O-N 3.12Å; N322-R326 WeakPolarHBondContact OD1-CD 3.28Å; N322-R326 PolarHBondContact OD1-NH1 2.85Å; A323-R326 PolarHBondContact O-N 3.17Å; R324-R326 VanDerWaalsContact C-N 3.29Å; R324-R326 PolarHBondContact O-N 2.88Å |
| 327 | I | 86.7 | Confident | 86 | Confident | 40 Ų | 40 | 79.7 Ų | 79.7 | 21% | 0.205 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -115.9 | -57.4 | -175.1 | -55.5 | 175.4 | 0 | 0 | 0 | 109.4 | L288 F289 A323 M331 | L288-I327 HydrophobicContact CD2-CD1 4.01Å; F289-I327 HydrophobicContact CE1-CG2 4.13Å; F289-I327 HydrophobicContact CZ-CG2 4.48Å; A323-I327 HydrophobicContact CB-CD1 4.35Å; A323-I327 WeakPolarHBondContact O-CB 3.43Å; A323-I327 PolarHBondContact O-N 3.17Å; I327-M331 HydrophobicContact CG2-SD 4.17Å; I327-M331 VanDerWaalsContact O-CG 3.29Å; I327-M331 WeakPolarHBondContact O-CG 3.28Å; I327-M331 PolarHBondContact O-N 3.5Å |
| 328 | V | 85 | Confident | 84.7 | Confident | 7 Ų | 7 | 80.7 Ų | 80.7 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | I | π-helix | trans | -74.9 | -44.7 | -170.8 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | L288 L292 P295 R324 M331 I332 | L288-V328 HydrophobicContact CD1-CG2 4.1Å; L292-V328 HydrophobicContact CD2-CG2 4.06Å; P295-V328 HydrophobicContact CB-CG2 4.39Å; P295-V328 HydrophobicContact CG-CG1 4.29Å; P295-V328 HydrophobicContact CG-CG2 4.32Å; R324-V328 HydrophobicContact CG-CG2 4.43Å; R324-V328 PolarHBondContact O-N 2.91Å; V328-M331 PolarHBondContact O-N 3.4Å; V328-M331 VanDerWaalsContact O-N 3.17Å; V328-I332 HydrophobicContact CG1-CD1 3.76Å; V328-I332 HydrophobicContact CG1-CG1 4.24Å; V328-I332 WeakPolarHBondContact O-CG1 3.39Å; V328-I332 PolarHBondContact O-N 3.17Å |
| 329 | Q | 80.5 | Confident | 83.2 | Confident | 96 Ų | 96 | 82 Ų | 82 | 45% | 0.449 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.3 | -51.7 | 179.9 | -78.4 | -72.1 | -15.7 | 0 | 0 | 112.8 | R324 M331 I332 D333 | R324-Q329 PolarHBondContact O-N 3.4Å; Q329-M331 VanDerWaalsContact C-N 3.27Å; Q329-M331 PolarHBondContact O-N 3.46Å; Q329-I332 PolarHBondContact O-N 2.87Å; Q329-I332 VanDerWaalsContact O-N 3.16Å; Q329-D333 PolarHBondContact O-N 2.81Å |
| 330 | P | 82.9 | Confident | 81.4 | Confident | 64 Ų | 64 | 85.4 Ų | 85.4 | 42% | 0.416 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.5 | -35.1 | 174.5 | -27.3 | 35.9 | 0 | 0 | 0 | 114.6 | Q334 | P330-Q334 WeakPolarHBondContact O-CB 3.23Å; P330-Q334 PolarHBondContact O-N 3.45Å |
| 331 | M | 79.4 | Confident | 79.5 | Confident | 89 Ų | 89 | 92.9 Ų | 92.9 | 44% | 0.438 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.8 | -42.7 | 177 | -69.8 | 173.7 | 69.5 | 0 | 0 | 111.8 | L292 I327 V328 Q329 Q334 S335 | L292-M331 HydrophobicContact CD1-CE 4.29Å; I327-M331 HydrophobicContact CG2-SD 4.17Å; I327-M331 VanDerWaalsContact O-CG 3.29Å; I327-M331 WeakPolarHBondContact O-CG 3.28Å; I327-M331 PolarHBondContact O-N 3.5Å; V328-M331 PolarHBondContact O-N 3.4Å; V328-M331 VanDerWaalsContact O-N 3.17Å; Q329-M331 VanDerWaalsContact C-N 3.27Å; Q329-M331 PolarHBondContact O-N 3.46Å; M331-Q334 PolarHBondContact O-N 2.86Å; M331-S335 PolarHBondContact O-N 2.64Å; M331-S335 PolarHBondContact O-OG 3.24Å |
| 332 | I | 79.8 | Confident | 77.2 | Confident | 71 Ų | 71 | 92.7 Ų | 92.7 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 177.1 | -68 | 173.7 | 0 | 0 | 0 | 110.8 | V328 Q329 Q334 S335 N336 | V328-I332 HydrophobicContact CG1-CD1 3.76Å; V328-I332 HydrophobicContact CG1-CG1 4.24Å; V328-I332 WeakPolarHBondContact O-CG1 3.39Å; V328-I332 PolarHBondContact O-N 3.17Å; Q329-I332 PolarHBondContact O-N 2.87Å; Q329-I332 VanDerWaalsContact O-N 3.16Å; I332-Q334 VanDerWaalsContact C-N 3.27Å; I332-Q334 PolarHBondContact O-N 3.44Å; I332-S335 WeakPolarHBondContact CA-OG 3.45Å; I332-S335 PolarHBondContact O-N 3.12Å; I332-S335 PolarHBondContact O-OG 3.04Å; I332-N336 WeakPolarHBondContact O-CB 3.16Å; I332-N336 PolarHBondContact O-N 3.36Å; I332-N336 PolarHBondContact O-ND2 2.96Å |
| 333 | D | 78.4 | Confident | 75 | Confident | 79 Ų | 79 | 93 Ų | 93 | 42% | 0.422 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 176.8 | -74.7 | -24.4 | 0 | 0 | 0 | 111.8 | Q329 R337 | Q329-D333 PolarHBondContact O-N 2.81Å; D333-R337 WeakPolarHBondContact O-CB 3.46Å; D333-R337 WeakPolarHBondContact O-CG 3.47Å; D333-R337 PolarHBondContact O-N 2.91Å |
| 334 | Q | 80 | Confident | 72.8 | Confident | 144 Ų | 144 | 99 Ų | 99 | 67% | 0.673 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.4 | -40.8 | 177.6 | -169.5 | 168.6 | 16.5 | 0 | 0 | 112.1 | P330 M331 I332 R337 A338 | P330-Q334 WeakPolarHBondContact O-CB 3.23Å; P330-Q334 PolarHBondContact O-N 3.45Å; M331-Q334 PolarHBondContact O-N 2.86Å; I332-Q334 VanDerWaalsContact C-N 3.27Å; I332-Q334 PolarHBondContact O-N 3.44Å; Q334-R337 PolarHBondContact O-N 3.45Å; Q334-A338 WeakPolarHBondContact O-CB 3.31Å; Q334-A338 PolarHBondContact O-N 3.21Å |
| 335 | S | 74.2 | Confident | 70.3 | Confident | 62 Ų | 62 | 106.8 Ų | 106.8 | 43% | 0.434 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.1 | -40.4 | 173.2 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | M331 I332 A338 V339 | M331-S335 PolarHBondContact O-N 2.64Å; M331-S335 PolarHBondContact O-OG 3.24Å; I332-S335 WeakPolarHBondContact CA-OG 3.45Å; I332-S335 PolarHBondContact O-N 3.12Å; I332-S335 PolarHBondContact O-OG 3.04Å; S335-A338 PolarHBondContact O-N 3.22Å; S335-V339 WeakPolarHBondContact O-CG2 3.4Å; S335-V339 PolarHBondContact O-N 3.44Å |
| 336 | N | 72.9 | Confident | 68.3 | Low | 98 Ų | 98 | 103.7 Ų | 103.7 | 52% | 0.524 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.2 | -39.1 | 178.9 | -68.7 | -13.1 | 0 | 0 | 0 | 111.6 | I332 S340 | I332-N336 WeakPolarHBondContact O-CB 3.16Å; I332-N336 PolarHBondContact O-N 3.36Å; I332-N336 PolarHBondContact O-ND2 2.96Å; N336-S340 WeakPolarHBondContact O-CB 3.49Å; N336-S340 PolarHBondContact O-N 3.02Å |
| 337 | R | 73.2 | Confident | 66.6 | Low | 177 Ų | 177 | 100.5 Ų | 100.5 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.2 | -41 | 172.4 | -78.7 | 177.1 | 171.8 | 156.6 | 0.6 | 112.7 | D333 Q334 V339 S340 Q341 | D333-R337 WeakPolarHBondContact O-CB 3.46Å; D333-R337 WeakPolarHBondContact O-CG 3.47Å; D333-R337 PolarHBondContact O-N 2.91Å; Q334-R337 PolarHBondContact O-N 3.45Å; R337-V339 PolarHBondContact O-N 2.9Å; R337-S340 PolarHBondContact O-N 3.23Å; R337-Q341 WeakPolarHBondContact O-CG 3.48Å; R337-Q341 PolarHBondContact O-N 2.88Å |
| 338 | A | 66.4 | Low | 64.3 | Low | 65 Ų | 65 | 105.7 Ų | 105.7 | 54% | 0.537 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -62.4 | -41.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q334 S335 Q341 | Q334-A338 WeakPolarHBondContact O-CB 3.31Å; Q334-A338 PolarHBondContact O-N 3.21Å; S335-A338 PolarHBondContact O-N 3.22Å; A338-Q341 PolarHBondContact O-N 3.29Å |
| 339 | V | 61.7 | Low | 62.4 | Low | 120 Ų | 120 | 108.2 Ų | 108.2 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.1 | -43.1 | 172.7 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | S335 R337 Q341 G342 | S335-V339 WeakPolarHBondContact O-CG2 3.4Å; S335-V339 PolarHBondContact O-N 3.44Å; R337-V339 PolarHBondContact O-N 2.9Å; V339-Q341 VanDerWaalsContact C-N 3.29Å; V339-Q341 PolarHBondContact O-N 3.48Å; V339-G342 PolarHBondContact O-N 3.43Å |
| 340 | S | 57.6 | Low | 60.3 | Low | 103 Ų | 103 | 111.7 Ų | 111.7 | 72% | 0.72 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.4 | -21 | -178.7 | -160.1 | 0 | 0 | 0 | 0 | 114 | N336 R337 | N336-S340 WeakPolarHBondContact O-CB 3.49Å; N336-S340 PolarHBondContact O-N 3.02Å; R337-S340 PolarHBondContact O-N 3.23Å |
| 341 | Q | 56.5 | Low | 58.7 | Low | 162 Ų | 162 | 114.8 Ų | 114.8 | 76% | 0.757 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 10.9 | 176.5 | -70.4 | -176.7 | -18.3 | 0 | 0 | 113.9 | R337 A338 V339 A343 | R337-Q341 WeakPolarHBondContact O-CG 3.48Å; R337-Q341 PolarHBondContact O-N 2.88Å; A338-Q341 PolarHBondContact O-N 3.29Å; V339-Q341 VanDerWaalsContact C-N 3.29Å; V339-Q341 PolarHBondContact O-N 3.48Å; Q341-A343 PolarHBondContact O-N 3.37Å |
| 342 | G | 45.1 | Very low | 56.8 | Low | 66 Ų | 66 | 118.4 Ų | 118.4 | 68% | 0.68 | 67% | 0.674 | S | S | * | * | trans | -70.5 | -1.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | V339 | V339-G342 PolarHBondContact O-N 3.43Š| ||
| 343 | A | 46.9 | Very low | 54.7 | Low | 80 Ų | 80 | 118 Ų | 118 | 66% | 0.661 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -98.1 | 115.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q341 Y345 | Q341-A343 PolarHBondContact O-N 3.37Å; A343-Y345 PolarHBondContact O-N 3.08Å; A343-Y345 VanDerWaalsContact O-N 3.11Å |
| 344 | P | 45.5 | Very low | 53 | Low | 133 Ų | 133 | 118 Ų | 118 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | trans | -74.1 | 104.9 | -177.2 | 29.2 | -33.9 | 0 | 0 | 0 | 111.3 | ||||
| 345 | Y | 43.1 | Very low | 50.7 | Low | 216 Ų | 216 | 121 Ų | 121 | 85% | 0.847 | 72% | 0.717 | S | S | * | * | trans | -81.2 | 117.1 | 172.4 | -168.5 | -93 | 0 | 0 | 0 | 110.5 | A343 | A343-Y345 PolarHBondContact O-N 3.08Å; A343-Y345 VanDerWaalsContact O-N 3.11Å | ||
| 346 | N | 49.1 | Very low | 49.4 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | trans | -82 | 122 | -176.3 | -170.1 | 77.4 | 0 | 0 | 0 | 111.2 | D348 | N346-D348 PolarHBondContact O-N 3.48Å; N346-D348 VanDerWaalsContact O-N 3.09Å | ||
| 347 | P | 54.7 | Low | 48 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -90 | 64.8 | -170.4 | 37.2 | -37.2 | 0 | 0 | 0 | 113.1 | ||
| 348 | D | 38 | Very low | 46.4 | Very low | 148 Ų | 148 | 128.9 Ų | 128.9 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | -149.1 | 148.2 | 160.7 | -148.9 | -63.6 | 0 | 0 | 0 | 108.5 | N346 | N346-D348 PolarHBondContact O-N 3.48Å; N346-D348 VanDerWaalsContact O-N 3.09Å | ||
| 349 | G | 44.2 | Very low | 44.9 | Very low | 61 Ų | 61 | 128.5 Ų | 128.5 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | trans | -166.9 | 152.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 350 | Q | 37.8 | Very low | 43.6 | Very low | 168 Ų | 168 | 131 Ų | 131 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -150.6 | 141.2 | 155.7 | -75.5 | -149.7 | -40.4 | 0 | 0 | 110.3 | ||||
| 351 | P | 49.1 | Very low | 42.6 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | trans | -88.5 | 120.8 | 164.2 | 33.1 | -27.9 | 0 | 0 | 0 | 109.8 | ||||
| 352 | M | 38.7 | Very low | 41.5 | Very low | 164 Ų | 164 | 133.2 Ų | 133.2 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -137.1 | 128.6 | 177 | -95.9 | -64.1 | -179.7 | 0 | 0 | 114.2 | ||||
| 353 | G | 36.4 | Very low | 41 | Very low | 64 Ų | 64 | 138.7 Ų | 138.7 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | 36.4 | 100.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 354 | G | 41.1 | Very low | 40.3 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | -71 | 131.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 355 | F | 33.2 | Very low | 39.8 | Very low | 205 Ų | 205 | 140.1 Ų | 140.1 | 90% | 0.899 | 79% | 0.785 | S | S | * | * | trans | -134.4 | 142.5 | 161.5 | -93.4 | -81.7 | 0 | 0 | 0 | 109.8 | ||||
| 356 | V | 46.3 | Very low | 39.3 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -75.6 | 140.4 | 177 | -87.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 357 | M | 43.4 | Very low | 40 | Very low | 196 Ų | 196 | 139.1 Ų | 139.1 | 97% | 0.966 | 78% | 0.783 | S | S | * | * | trans | -135.6 | 123 | 149.8 | -107.4 | -166.9 | 166.7 | 0 | 0 | 110.4 | ||||
| 358 | D | 39.3 | Very low | 40 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -92.9 | 168 | 161.9 | -162.7 | -71.3 | 0 | 0 | 0 | 108.4 | ||||
| 359 | G | 35 | Very low | 39.9 | Very low | 57 Ų | 57 | 135.7 Ų | 135.7 | 59% | 0.588 | 78% | 0.781 | S | S | * | * | trans | 116.2 | 63.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 360 | Q | 35.5 | Very low | 40.3 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | 52.2 | 119.6 | 126.2 | -154.4 | -170.2 | 21.2 | 0 | 0 | 120.7 | |||||
| 361 | Q | 35.3 | Very low | 40.3 | Very low | 154 Ų | 154 | 140 Ų | 140 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | 168.9 | 147.8 | 113.8 | -89.7 | -174.2 | 64.1 | 0 | 0 | 114.8 | |||||
| 362 | H | 33.1 | Very low | 39.8 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | trans | 27.7 | 137.3 | 151.2 | -64 | 105.2 | 0 | 0 | 0 | 121.2 | ||||
| 363 | M | 35.1 | Very low | 39.8 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | cis | -147.8 | 169.9 | 3 | -82.1 | -115.1 | -151.5 | 0 | 0 | 106.3 | ||||
| 364 | G | 33.6 | Very low | 39.9 | Very low | 59 Ų | 59 | 138.7 Ų | 138.7 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | cis | 153.7 | 168.7 | 9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 365 | I | 34.7 | Very low | 39.7 | Very low | 183 Ų | 183 | 138 Ų | 138 | 94% | 0.938 | 80% | 0.797 | S | S | * | * | trans | 80.3 | 133.5 | 174 | -51 | 173.4 | 0 | 0 | 0 | 117.5 | ||||
| 366 | R | 32.5 | Very low | 39.9 | Very low | 224 Ų | 224 | 136.2 Ų | 136.2 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -154.7 | 175.1 | 178.8 | -118.9 | -170.3 | 78.4 | -152.2 | 2.5 | 107.5 | ||||
| 367 | P | 63.7 | Low | 39.7 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 62% | 0.617 | 79% | 0.791 | S | S | * | * | cis | -105.7 | -127.3 | -35.6 | 42.4 | -27.2 | 0 | 0 | 0 | 107.5 | ||||
| 368 | P | 54.9 | Low | 39.6 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | cis | -75.6 | -156 | -12.9 | -10.8 | 32 | 0 | 0 | 0 | 111.8 | ||||
| 369 | G | 35.9 | Very low | 39.3 | Very low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | 119.8 | 154.2 | -13.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 370 | P | 52 | Low | 39.5 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | cis | -132 | 166.6 | 5.5 | 42.7 | -27.6 | 0 | 0 | 0 | 117.2 | ||||
| 371 | M | 38 | Very low | 39.9 | Very low | 199 Ų | 199 | 136 Ų | 136 | 98% | 0.98 | 79% | 0.787 | S | S | * | * | trans | 47.9 | 136.6 | 145.8 | -77 | -170.9 | 161.4 | 0 | 0 | 124.4 | ||||
| 372 | G | 39.1 | Very low | 39.9 | Very low | 86 Ų | 86 | 132 Ų | 132 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | trans | 124 | 111.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 373 | G | 36.8 | Very low | 40 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | cis | -172.6 | -176.8 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 374 | M | 39 | Very low | 40 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | trans | -57.4 | 155.4 | 168.8 | -70.1 | 71.7 | 168.8 | 0 | 0 | 110.5 | M376 | M374-M376 HydrophobicContact CB-SD 4.1Å; M374-M376 HydrophobicContact CG-SD 4.46Å | ||
| 375 | G | 37 | Very low | 40.7 | Very low | 63 Ų | 63 | 140.5 Ų | 140.5 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | cis | 101.5 | 165 | 26.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 376 | M | 37.3 | Very low | 41.1 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | 69.1 | 136.4 | -166.3 | -57.6 | 73.1 | 172.4 | 0 | 0 | 112.4 | M374 | M374-M376 HydrophobicContact CB-SD 4.1Å; M374-M376 HydrophobicContact CG-SD 4.46Å | ||
| 377 | N | 43.6 | Very low | 41.5 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | cis | 87.5 | 147.1 | 29.8 | -166.6 | 40.3 | 0 | 0 | 0 | 114.3 | ||||
| 378 | M | 39.5 | Very low | 40.4 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | 69.2 | 145.4 | -160.9 | -59.4 | 180 | 166.6 | 0 | 0 | 113.9 | ||||
| 379 | G | 33.6 | Very low | 39.6 | Very low | 65 Ų | 65 | 146 Ų | 146 | 67% | 0.67 | 82% | 0.819 | S | S | * | * | cis | 143.5 | 150 | -9.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 380 | M | 39 | Very low | 39.8 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | 63.3 | 133.6 | 163.7 | -69 | 156.7 | 97.5 | 0 | 0 | 118.9 | ||||
| 381 | E | 43.6 | Very low | 39.1 | Very low | 172 Ų | 172 | 152.1 Ų | 152.1 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | 70 | 139.4 | 145.3 | -67.6 | 158 | -137.5 | 0 | 0 | 120.5 | ||||
| 382 | G | 36.4 | Very low | 39.1 | Very low | 71 Ų | 71 | 149.2 Ų | 149.2 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | 153.7 | 41.5 | -166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 383 | Q | 34.1 | Very low | 39.1 | Very low | 150 Ų | 150 | 153.4 Ų | 153.4 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | 69.2 | 83.1 | 84.1 | -166.9 | 179.4 | 99.2 | 0 | 0 | 110.9 | H385 | Q383-H385 PolarHBondContact O-N 3.06Å; Q383-H385 VanDerWaalsContact O-N 3.15Å; Q383-H385 PolarHBondContact OE1-CE1 3.18Å | |||
| 384 | W | 35.5 | Very low | 39.3 | Very low | 263 Ų | 263 | 159.3 Ų | 159.3 | 100% | 0.996 | 82% | 0.821 | S | S | * | * | trans | -53.1 | 115.3 | 176.7 | -65 | 100.6 | 0 | 0 | 0 | 111.1 | ||||
| 385 | H | 47.6 | Very low | 39.3 | Very low | 162 Ų | 162 | 158.2 Ų | 158.2 | 75% | 0.75 | 82% | 0.818 | S | S | * | * | trans | -100.3 | 133.7 | 167.5 | -93.6 | 74.4 | 0 | 0 | 0 | 110.1 | Q383 | Q383-H385 PolarHBondContact O-N 3.06Å; Q383-H385 VanDerWaalsContact O-N 3.15Å; Q383-H385 PolarHBondContact OE1-CE1 3.18Å | ||
| 386 | Y | 44.2 | Very low | 39.5 | Very low | 198 Ų | 198 | 166.1 Ų | 166.1 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | trans | -80.6 | 143.4 | -168.6 | -148.7 | -92.3 | 0 | 0 | 0 | 112.2 | ||||
| 387 | M | 40 | Very low | 39.7 | Very low | 251 Ų | 251 | 165.8 Ų | 165.8 | 100% | 1.236 | 83% | 0.832 | S | S | * | * | trans | -155.3 | 0 | 155.8 | -100.1 | -172.6 | -175.1 | 0 | 0 | 109.9 |
Retrieved 387 of 387 residues in 236.8 ms
(Link to these results)