| 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 | 32.3 | Very low | 38.6 | Very low | 237 Ų | 237 | 149.5 Ų | 149.5 | 100% | 1.167 | 84% | 0.841 | S | S | * | * | 0 | 125 | 0 | -57.9 | 179.3 | 83.9 | 0 | 0 | 107.3 | |||||
| 2 | S | 34.1 | Very low | 38.9 | Very low | 96 Ų | 96 | 148.2 Ų | 148.2 | 67% | 0.671 | 84% | 0.844 | S | S | * | * | cis | -162.5 | 144 | -10.3 | -70.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 3 | N | 34.7 | Very low | 38.3 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 81% | 0.813 | 84% | 0.843 | S | S | * | * | trans | 40.4 | 131.5 | 151.1 | -56.6 | -15.2 | 0 | 0 | 0 | 118.4 | ||||
| 4 | S | 39.1 | Very low | 37.9 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | 179.6 | 138.9 | 64.9 | -52.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 5 | K | 41.7 | Very low | 37.4 | Very low | 211 Ų | 211 | 143.5 Ų | 143.5 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | trans | -116.2 | 138.7 | 170.6 | -145.7 | -177.8 | -167.5 | -179.3 | 0 | 107.6 | ||||
| 6 | P | 44.7 | Very low | 37.1 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | trans | -142.5 | -176.6 | 150.1 | 42.8 | -27.5 | 0 | 0 | 0 | 111.7 | ||||
| 7 | P | 52.3 | Low | 36.8 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | -127.1 | 168.9 | -75.7 | 34.2 | -16.3 | 0 | 0 | 0 | 113 | |||||
| 8 | G | 30.9 | Very low | 36.5 | Very low | 64 Ų | 64 | 140.3 Ų | 140.3 | 66% | 0.66 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 160.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 9 | P | 44.3 | Very low | 36.2 | Very low | 140 Ų | 140 | 144.7 Ų | 144.7 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 155.2 | -172.5 | 34.5 | -32.1 | 0 | 0 | 0 | 114.2 | ||
| 10 | Q | 33.8 | Very low | 35.8 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 155.4 | -165 | -65.4 | 162.9 | -31.2 | 0 | 0 | 113.7 | ||
| 11 | K | 37.2 | Very low | 35.3 | Very low | 200 Ų | 200 | 146.1 Ų | 146.1 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 154.9 | 156 | -73.2 | 175.9 | 173.6 | 178.7 | 0 | 110.7 | ||
| 12 | P | 41.8 | Very low | 35.2 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 154.1 | 156.2 | 32.3 | -21.8 | 0 | 0 | 0 | 112.4 | ||
| 13 | H | 30.5 | Very low | 34.9 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | trans | -130.9 | 150.2 | -169.7 | -150.9 | -31.7 | 0 | 0 | 0 | 108.8 | ||||
| 14 | V | 33.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 140 Ų | 140 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | trans | 75.3 | 133.6 | 153.9 | -162.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 15 | G | 29.3 | Very low | 34 | Very low | 78 Ų | 78 | 142.2 Ų | 142.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -178.7 | 68 | 153.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 16 | T | 32.8 | Very low | 33.5 | Very low | 125 Ų | 125 | 137 Ų | 137 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | -80.9 | 135 | 164.4 | 30.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 17 | D | 32.1 | Very low | 33.5 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -132.2 | 139 | 155.4 | -94.6 | -27.5 | 0 | 0 | 0 | 110 | ||||
| 18 | S | 31.8 | Very low | 32.5 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 58% | 0.58 | 78% | 0.78 | S | S | * | * | trans | -109.9 | 144.1 | -173.3 | 111.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 19 | Y | 30.2 | Very low | 32.4 | Very low | 224 Ų | 224 | 137.7 Ų | 137.7 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -146.5 | 98.4 | 150.5 | -75.9 | -76.6 | 0 | 0 | 0 | 111.4 | ||||
| 20 | F | 28.4 | Very low | 31.7 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | 41.9 | 143 | 124.8 | -101.3 | -87.3 | 0 | 0 | 0 | 125 | |||||
| 21 | L | 26.4 | Very low | 31.5 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | 96.5 | 136 | 158.3 | -59 | 169.4 | 0 | 0 | 0 | 117.5 | ||||
| 22 | T | 29.5 | Very low | 31 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 58% | 0.577 | 77% | 0.766 | S | S | * | * | cis | 174.7 | 152.8 | -43.6 | 33.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 23 | F | 27.3 | Very low | 30.4 | Very low | 200 Ų | 200 | 129 Ų | 129 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | trans | 70.4 | 138.6 | 165 | -70.2 | -78.7 | 0 | 0 | 0 | 118.2 | ||||
| 24 | G | 27.7 | Very low | 30.4 | Very low | 64 Ų | 64 | 128.2 Ų | 128.2 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | cis | -160.3 | -176.5 | 2.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 25 | D | 28 | Very low | 30.2 | Very low | 161 Ų | 161 | 134 Ų | 134 | 86% | 0.861 | 77% | 0.77 | S | S | * | * | cis | -159.4 | 148.7 | 1.2 | -90.2 | -39.4 | 0 | 0 | 0 | 105 | ||||
| 26 | S | 30.6 | Very low | 30.2 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | -99.3 | 154.5 | 169.1 | -165.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 27 | P | 45.2 | Very low | 30 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | -150.8 | 143.5 | 89.2 | 37.6 | -17.7 | 0 | 0 | 0 | 113.4 | |||||
| 28 | V | 30.4 | Very low | 29.9 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | 123.1 | 140.2 | 62.7 | 156.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 29 | A | 29.6 | Very low | 29.9 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 63% | 0.628 | 78% | 0.78 | S | S | * | * | trans | 71.5 | 132.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 30 | N | 29.4 | Very low | 29.7 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | cis | -158.9 | 158.6 | 14.9 | -103.6 | -10.3 | 0 | 0 | 0 | 111.4 | ||||
| 31 | D | 29 | Very low | 29.9 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 67.7 | 103.1 | 150.6 | -59.8 | -21.7 | 0 | 0 | 0 | 120.8 | ||||
| 32 | A | 27.7 | Very low | 30 | Very low | 105 Ų | 105 | 131 Ų | 131 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -156.9 | 88 | 139.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 33 | A | 29.7 | Very low | 30 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -82.4 | 151.2 | 153 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 34 | D | 29.5 | Very low | 30.2 | Very low | 162 Ų | 162 | 129 Ų | 129 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 83.1 | 93.5 | 163.1 | -59.6 | -14.9 | 0 | 0 | 0 | 119.5 | ||||
| 35 | R | 29.4 | Very low | 30.5 | Very low | 238 Ų | 238 | 135.8 Ų | 135.8 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | -60.4 | 145.5 | 156.9 | -95.4 | -174.4 | -174.3 | -170 | 2.8 | 112.4 | ||||
| 36 | V | 29.9 | Very low | 30.9 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 87.4 | 93.5 | 144.6 | 178.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 37 | T | 29.6 | Very low | 31.5 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | 161.9 | 109.4 | 102.4 | -50.3 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 38 | Q | 29.3 | Very low | 31.6 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -178.7 | 120.7 | 145.1 | -102.5 | 160 | 31.8 | 0 | 0 | 111.7 | A40 | Q38-A40 PolarHBondContact O-N 3.46Š| ||
| 39 | S | 31.2 | Very low | 33.1 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -63.4 | 113.8 | 158.3 | 51.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 40 | A | 27.3 | Very low | 34.5 | Very low | 83 Ų | 83 | 140.4 Ų | 140.4 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | trans | -165.2 | 127.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q38 | Q38-A40 PolarHBondContact O-N 3.46Š| ||
| 41 | S | 31.3 | Very low | 35.8 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | 60.5 | 92.8 | 138.8 | -49 | 0 | 0 | 0 | 0 | 119 | ||||
| 42 | L | 28.8 | Very low | 37.7 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | trans | -113.8 | 95.1 | 148.9 | -75.7 | 175.7 | 0 | 0 | 0 | 110 | L44 | L42-L44 PolarHBondContact O-N 3.27Š| ||
| 43 | S | 29.8 | Very low | 39.5 | Very low | 110 Ų | 110 | 136.1 Ų | 136.1 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | -60.4 | 106.4 | 161.9 | -168.2 | 0 | 0 | 0 | 0 | 108.7 | R45 | S43-R45 PolarHBondContact O-N 3.36Å; S43-R45 VanDerWaalsContact O-N 3.09Å | ||
| 44 | L | 30.6 | Very low | 41.5 | Very low | 143 Ų | 143 | 134.9 Ų | 134.9 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -75.2 | 94 | 167.4 | -82.2 | 167.5 | 0 | 0 | 0 | 108.3 | L42 F46 | L42-L44 PolarHBondContact O-N 3.27Å; L44-F46 HydrophobicContact CB-CD2 4.48Å; L44-F46 HydrophobicContact CD2-CD2 4.48Å; L44-F46 HydrophobicContact CD2-CE2 3.87Å; L44-F46 PolarHBondContact O-N 3.36Å | ||
| 45 | R | 35.4 | Very low | 43.7 | Very low | 206 Ų | 206 | 133.8 Ų | 133.8 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | trans | -66.2 | 111.7 | 156.4 | -82.1 | -176.5 | 178.3 | 176.2 | 0.1 | 108 | S43 | S43-R45 PolarHBondContact O-N 3.36Å; S43-R45 VanDerWaalsContact O-N 3.09Å | ||
| 46 | F | 34.5 | Very low | 45.9 | Very low | 168 Ų | 168 | 124.5 Ų | 124.5 | 74% | 0.737 | 67% | 0.67 | S | S | * | * | trans | -118.9 | 87.3 | 150.9 | -79.2 | -71.5 | 0 | 0 | 0 | 107.8 | L44 R48 | L44-F46 HydrophobicContact CB-CD2 4.48Å; L44-F46 HydrophobicContact CD2-CD2 4.48Å; L44-F46 HydrophobicContact CD2-CE2 3.87Å; L44-F46 PolarHBondContact O-N 3.36Å; F46-R48 PolarHBondContact O-N 3.48Å | ||
| 47 | N | 43.4 | Very low | 48.2 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 78% | 0.781 | 66% | 0.66 | S | S | * | * | trans | -72.8 | 99.1 | 156.9 | -75 | -20.9 | 0 | 0 | 0 | 106.2 | ||||
| 48 | R | 48.4 | Very low | 50.4 | Low | 140 Ų | 140 | 123 Ų | 123 | 53% | 0.528 | 65% | 0.652 | S | S | . | * | trans | -98.3 | 133.8 | 152.8 | -75.1 | -169.4 | 175.7 | 173.6 | -2.7 | 107.1 | F46 E52 L53 | F46-R48 PolarHBondContact O-N 3.48Å; R48-E52 WeakPolarHBondContact CA-OE2 3.44Å; R48-E52 HydrophobicContact CB-CB 4.29Å; R48-E52 WeakPolarHBondContact CB-OE2 3.36Å; R48-E52 WeakPolarHBondContact CG-OE2 3.33Å; R48-L53 HydrophobicContact CB-CG 4.17Å | ||
| 49 | T | 61.3 | Low | 53.1 | Low | 77 Ų | 77 | 119.8 Ų | 119.8 | 47% | 0.472 | 63% | 0.632 | S | S | . | * | trans | -66.8 | 155.3 | 176.3 | 51.6 | 0 | 0 | 0 | 0 | 109.5 | D51 E52 L53 | T49-D51 PolarHBondContact O-N 3.46Å; T49-D51 VanDerWaalsContact O-N 3.14Å; T49-E52 PolarHBondContact N-OE2 3.23Å; T49-E52 PolarHBondContact O-N 3.44Å; T49-E52 WeakPolarHBondContact OG1-CG 3.33Å; T49-L53 PolarHBondContact O-N 3.22Å; T49-L53 VanDerWaalsContact O-N 3.16Å | ||
| 50 | L | 58.2 | Low | 55.2 | Low | 146 Ų | 146 | 118.2 Ų | 118.2 | 76% | 0.764 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -55.5 | -32.5 | -178.8 | -162.7 | 85.5 | 0 | 0 | 0 | 111.3 | L53 S54 | L50-L53 PolarHBondContact O-N 3.42Å; L50-S54 WeakPolarHBondContact O-CB 3.48Å; L50-S54 PolarHBondContact O-N 3.12Å |
| 51 | D | 58.7 | Low | 57.9 | Low | 116 Ų | 116 | 117.8 Ų | 117.8 | 62% | 0.62 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.6 | -40 | 178.5 | -59.9 | -35.4 | 0 | 0 | 0 | 112 | T49 L53 S54 E55 | T49-D51 PolarHBondContact O-N 3.46Å; T49-D51 VanDerWaalsContact O-N 3.14Å; D51-L53 VanDerWaalsContact C-N 3.33Å; D51-L53 PolarHBondContact O-N 3.45Å; D51-S54 WeakPolarHBondContact O-CB 3.24Å; D51-S54 PolarHBondContact O-N 3.34Å; D51-E55 WeakPolarHBondContact O-CB 3.32Å; D51-E55 WeakPolarHBondContact O-CG 3.48Å; D51-E55 PolarHBondContact O-N 3.48Å |
| 52 | E | 67.4 | Low | 60.2 | Low | 93 Ų | 93 | 118.4 Ų | 118.4 | 44% | 0.435 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.9 | -34.2 | 174.3 | -73.2 | 168.8 | -169.2 | 0 | 0 | 112.4 | R48 T49 E56 | R48-E52 WeakPolarHBondContact CA-OE2 3.44Å; R48-E52 HydrophobicContact CB-CB 4.29Å; R48-E52 WeakPolarHBondContact CB-OE2 3.36Å; R48-E52 WeakPolarHBondContact CG-OE2 3.33Å; T49-E52 PolarHBondContact N-OE2 3.23Å; T49-E52 PolarHBondContact O-N 3.44Å; T49-E52 WeakPolarHBondContact OG1-CG 3.33Å; E52-E56 WeakPolarHBondContact O-CB 3.15Å; E52-E56 PolarHBondContact O-N 3.16Å |
| 53 | L | 66.2 | Low | 62.4 | Low | 93 Ų | 93 | 114.5 Ų | 114.5 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.3 | -33.3 | 173.2 | -76.4 | 165.7 | 0 | 0 | 0 | 111.6 | R48 T49 L50 D51 L57 | R48-L53 HydrophobicContact CB-CG 4.17Å; T49-L53 PolarHBondContact O-N 3.22Å; T49-L53 VanDerWaalsContact O-N 3.16Å; L50-L53 PolarHBondContact O-N 3.42Å; D51-L53 VanDerWaalsContact C-N 3.33Å; D51-L53 PolarHBondContact O-N 3.45Å; L53-L57 WeakPolarHBondContact O-CB 3.34Å; L53-L57 PolarHBondContact O-N 3.05Å |
| 54 | S | 72.1 | Confident | 64.6 | Low | 64 Ų | 64 | 113.9 Ų | 113.9 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -69.7 | -41.4 | 174.1 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | L50 D51 L57 N58 | L50-S54 WeakPolarHBondContact O-CB 3.48Å; L50-S54 PolarHBondContact O-N 3.12Å; D51-S54 WeakPolarHBondContact O-CB 3.24Å; D51-S54 PolarHBondContact O-N 3.34Å; S54-L57 PolarHBondContact O-N 3.05Å; S54-N58 WeakPolarHBondContact O-CB 3.42Å; S54-N58 PolarHBondContact O-N 3.1Å |
| 55 | E | 75.4 | Confident | 66.6 | Low | 139 Ų | 139 | 111.8 Ų | 111.8 | 65% | 0.65 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.4 | -41.2 | 174.5 | -76.8 | -176.3 | 172.4 | 0 | 0 | 111.5 | D51 L57 N58 R59 | D51-E55 WeakPolarHBondContact O-CB 3.32Å; D51-E55 WeakPolarHBondContact O-CG 3.48Å; D51-E55 PolarHBondContact O-N 3.48Å; E55-L57 VanDerWaalsContact C-N 3.35Å; E55-N58 PolarHBondContact O-N 3.43Å; E55-R59 VanDerWaalsContact O-CB 3.25Å; E55-R59 WeakPolarHBondContact O-CB 3.44Å; E55-R59 PolarHBondContact O-N 2.99Å |
| 56 | E | 76.2 | Confident | 68.4 | Low | 43 Ų | 43 | 106.5 Ų | 106.5 | 20% | 0.201 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 175 | -177.9 | 59.7 | -162.3 | 0 | 0 | 111.8 | E52 R59 Q60 | E52-E56 WeakPolarHBondContact O-CB 3.15Å; E52-E56 PolarHBondContact O-N 3.16Å; E56-R59 VanDerWaalsContact CD-NH2 3.26Å; E56-R59 PolarHBondContact O-N 2.84Å; E56-R59 IonicContact OE1-CZ 3.05Å; E56-R59 IonicContact OE1-NE 3.36Å; E56-R59 IonicContact OE1-NH2 3.57Å; E56-R59 PolarHBondContact OE1-NH2 3.49Å; E56-R59 IonicContact OE2-CZ 2.95Å; E56-R59 IonicContact OE2-NE 3.86Å; E56-R59 PolarHBondContact OE2-NE 3.12Å; E56-R59 IonicContact OE2-NH2 2.86Å; E56-R59 PolarHBondContact OE2-NH2 3.5Å; E56-Q60 WeakPolarHBondContact O-CB 3.2Å; E56-Q60 VanDerWaalsContact O-CG 3.31Å; E56-Q60 WeakPolarHBondContact O-CG 3.08Å; E56-Q60 PolarHBondContact O-N 3.25Å; E56-Q60 PolarHBondContact OE1-NE2 3.44Å |
| 57 | L | 76.6 | Confident | 70.2 | Confident | 110 Ų | 110 | 102.7 Ų | 102.7 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.9 | -40.6 | 174.2 | -173 | 67.9 | 0 | 0 | 0 | 111.3 | L53 S54 E55 Q60 T61 | L53-L57 WeakPolarHBondContact O-CB 3.34Å; L53-L57 PolarHBondContact O-N 3.05Å; S54-L57 PolarHBondContact O-N 3.05Å; E55-L57 VanDerWaalsContact C-N 3.35Å; L57-Q60 PolarHBondContact O-N 3.34Å; L57-T61 VanDerWaalsContact O-CB 3.25Å; L57-T61 WeakPolarHBondContact O-CB 3.47Å; L57-T61 PolarHBondContact O-N 3.15Å; L57-T61 PolarHBondContact O-OG1 2.84Å |
| 58 | N | 77.1 | Confident | 71.3 | Confident | 106 Ų | 106 | 103 Ų | 103 | 57% | 0.567 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.6 | -40 | 173.9 | -102.6 | -6.1 | 0 | 0 | 0 | 111.5 | S54 E55 T61 M62 | S54-N58 WeakPolarHBondContact O-CB 3.42Å; S54-N58 PolarHBondContact O-N 3.1Å; E55-N58 PolarHBondContact O-N 3.43Å; N58-T61 PolarHBondContact O-N 3.05Å; N58-M62 WeakPolarHBondContact O-CB 3.35Å; N58-M62 WeakPolarHBondContact O-CG 3.4Å; N58-M62 PolarHBondContact O-N 3.47Å |
| 59 | R | 85.5 | Confident | 72.3 | Confident | 123 Ų | 123 | 101.2 Ų | 101.2 | 46% | 0.464 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 175.5 | -169.4 | 179 | 76.1 | 89.9 | 2.1 | 111.1 | E55 E56 T61 M62 E63 | E55-R59 VanDerWaalsContact O-CB 3.25Å; E55-R59 WeakPolarHBondContact O-CB 3.44Å; E55-R59 PolarHBondContact O-N 2.99Å; E56-R59 VanDerWaalsContact CD-NH2 3.26Å; E56-R59 PolarHBondContact O-N 2.84Å; E56-R59 IonicContact OE1-CZ 3.05Å; E56-R59 IonicContact OE1-NE 3.36Å; E56-R59 IonicContact OE1-NH2 3.57Å; E56-R59 PolarHBondContact OE1-NH2 3.49Å; E56-R59 IonicContact OE2-CZ 2.95Å; E56-R59 IonicContact OE2-NE 3.86Å; E56-R59 PolarHBondContact OE2-NE 3.12Å; E56-R59 IonicContact OE2-NH2 2.86Å; E56-R59 PolarHBondContact OE2-NH2 3.5Å; R59-T61 VanDerWaalsContact C-N 3.32Å; R59-T61 PolarHBondContact O-N 3.41Å; R59-M62 PolarHBondContact O-N 3.39Å; R59-E63 IonicContact NH1-OE1 2.85Å; R59-E63 PolarHBondContact NH1-OE1 3.27Å; R59-E63 VanDerWaalsContact NH1-OE1 3.16Å; R59-E63 PolarHBondContact O-N 3.41Å |
| 60 | Q | 76.2 | Confident | 72.5 | Confident | 89 Ų | 89 | 104.2 Ų | 104.2 | 42% | 0.416 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.2 | -33.4 | 175 | -72.9 | -174.6 | 4.7 | 0 | 0 | 112.3 | E56 L57 I64 | E56-Q60 WeakPolarHBondContact O-CB 3.2Å; E56-Q60 VanDerWaalsContact O-CG 3.31Å; E56-Q60 WeakPolarHBondContact O-CG 3.08Å; E56-Q60 PolarHBondContact O-N 3.25Å; E56-Q60 PolarHBondContact OE1-NE2 3.44Å; L57-Q60 PolarHBondContact O-N 3.34Å; Q60-I64 WeakPolarHBondContact O-CB 3.16Å; Q60-I64 WeakPolarHBondContact O-CD1 3.12Å; Q60-I64 WeakPolarHBondContact O-CG1 3.28Å; Q60-I64 PolarHBondContact O-N 2.77Å |
| 61 | T | 82.8 | Confident | 72.8 | Confident | 74 Ų | 74 | 102.8 Ų | 102.8 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69 | -38.9 | 175.8 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | L57 N58 R59 Q65 | L57-T61 VanDerWaalsContact O-CB 3.25Å; L57-T61 WeakPolarHBondContact O-CB 3.47Å; L57-T61 PolarHBondContact O-N 3.15Å; L57-T61 PolarHBondContact O-OG1 2.84Å; N58-T61 PolarHBondContact O-N 3.05Å; R59-T61 VanDerWaalsContact C-N 3.32Å; R59-T61 PolarHBondContact O-N 3.41Å; T61-Q65 WeakPolarHBondContact O-CB 3.32Å; T61-Q65 PolarHBondContact O-N 2.99Å |
| 62 | M | 80.2 | Confident | 72.7 | Confident | 126 Ų | 126 | 104.2 Ų | 104.2 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.6 | -43.5 | 173.3 | -73.2 | -161 | 70.1 | 0 | 0 | 112.1 | N58 R59 I64 Q65 D66 | N58-M62 WeakPolarHBondContact O-CB 3.35Å; N58-M62 WeakPolarHBondContact O-CG 3.4Å; N58-M62 PolarHBondContact O-N 3.47Å; R59-M62 PolarHBondContact O-N 3.39Å; M62-I64 VanDerWaalsContact C-N 3.31Å; M62-I64 PolarHBondContact O-N 2.71Å; M62-Q65 PolarHBondContact O-N 3.11Å; M62-Q65 VanDerWaalsContact O-N 3.11Å; M62-D66 PolarHBondContact O-N 3.42Å |
| 63 | E | 75.3 | Confident | 72.2 | Confident | 92 Ų | 92 | 104 Ų | 104 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 174 | -81.8 | 176.4 | -174.8 | 0 | 0 | 111.7 | R59 Q65 D66 I67 | R59-E63 IonicContact NH1-OE1 2.85Å; R59-E63 PolarHBondContact NH1-OE1 3.27Å; R59-E63 VanDerWaalsContact NH1-OE1 3.16Å; R59-E63 PolarHBondContact O-N 3.41Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-D66 PolarHBondContact O-N 3.47Å; E63-I67 WeakPolarHBondContact O-CB 3.46Å; E63-I67 WeakPolarHBondContact O-CD1 3.33Å; E63-I67 WeakPolarHBondContact O-CG1 3.27Å; E63-I67 PolarHBondContact O-N 2.75Å |
| 64 | I | 76.2 | Confident | 71.3 | Confident | 97 Ų | 97 | 102.3 Ų | 102.3 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.5 | -34.1 | 175.8 | -70.8 | 166.2 | 0 | 0 | 0 | 111.4 | Q60 M62 R68 | Q60-I64 WeakPolarHBondContact O-CB 3.16Å; Q60-I64 WeakPolarHBondContact O-CD1 3.12Å; Q60-I64 WeakPolarHBondContact O-CG1 3.28Å; Q60-I64 PolarHBondContact O-N 2.77Å; M62-I64 VanDerWaalsContact C-N 3.31Å; M62-I64 PolarHBondContact O-N 2.71Å; I64-R68 WeakPolarHBondContact O-CB 3.46Å; I64-R68 PolarHBondContact O-N 3.5Å |
| 65 | Q | 71.8 | Confident | 70.1 | Confident | 99 Ų | 99 | 102.9 Ų | 102.9 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.8 | -39.7 | 176.5 | -167.8 | 66.7 | 11.2 | 0 | 0 | 111.5 | T61 M62 E63 R68 E69 | T61-Q65 WeakPolarHBondContact O-CB 3.32Å; T61-Q65 PolarHBondContact O-N 2.99Å; M62-Q65 PolarHBondContact O-N 3.11Å; M62-Q65 VanDerWaalsContact O-N 3.11Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; Q65-R68 WeakPolarHBondContact O-CB 3.36Å; Q65-R68 PolarHBondContact O-N 3Å; Q65-E69 PolarHBondContact O-N 3.48Å |
| 66 | D | 73.6 | Confident | 68.9 | Low | 95 Ų | 95 | 99.2 Ų | 99.2 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 173.7 | -77.3 | -6.2 | 0 | 0 | 0 | 110.9 | M62 E63 R68 E69 E70 | M62-D66 PolarHBondContact O-N 3.42Å; E63-D66 PolarHBondContact O-N 3.47Å; D66-R68 VanDerWaalsContact C-N 3.27Å; D66-R68 PolarHBondContact O-N 2.79Å; D66-E69 PolarHBondContact O-N 3.35Å; D66-E70 VanDerWaalsContact O-CB 3.29Å; D66-E70 WeakPolarHBondContact O-CB 3.1Å; D66-E70 PolarHBondContact O-N 2.76Å |
| 67 | I | 71.3 | Confident | 67.5 | Low | 89 Ų | 89 | 98.8 Ų | 98.8 | 46% | 0.456 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -35.4 | 174.3 | -68.5 | 164.3 | 0 | 0 | 0 | 110.8 | E63 E70 I71 | E63-I67 WeakPolarHBondContact O-CB 3.46Å; E63-I67 WeakPolarHBondContact O-CD1 3.33Å; E63-I67 WeakPolarHBondContact O-CG1 3.27Å; E63-I67 PolarHBondContact O-N 2.75Å; I67-E70 PolarHBondContact O-N 3.49Å; I67-I71 HydrophobicContact CG2-CD1 3.77Å; I67-I71 HydrophobicContact CG2-CG1 4.41Å; I67-I71 WeakPolarHBondContact O-CB 3.29Å; I67-I71 WeakPolarHBondContact O-CD1 3.11Å; I67-I71 WeakPolarHBondContact O-CG1 3.44Å; I67-I71 PolarHBondContact O-N 3.29Å |
| 68 | R | 66.4 | Low | 65.8 | Low | 151 Ų | 151 | 96.1 Ų | 96.1 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.3 | -41 | 176 | -177.1 | -178.9 | -69.2 | -109.2 | 0.2 | 111.7 | I64 Q65 D66 Q72 | I64-R68 WeakPolarHBondContact O-CB 3.46Å; I64-R68 PolarHBondContact O-N 3.5Å; Q65-R68 WeakPolarHBondContact O-CB 3.36Å; Q65-R68 PolarHBondContact O-N 3Å; D66-R68 VanDerWaalsContact C-N 3.27Å; D66-R68 PolarHBondContact O-N 2.79Å; R68-Q72 VanDerWaalsContact O-CB 3.25Å; R68-Q72 WeakPolarHBondContact O-CB 3.28Å; R68-Q72 PolarHBondContact O-N 2.82Å |
| 69 | E | 69.4 | Low | 64.2 | Low | 104 Ų | 104 | 97.7 Ų | 97.7 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 171.2 | -84.3 | -167.4 | 171.6 | 0 | 0 | 111.5 | Q65 D66 Q72 N73 | Q65-E69 PolarHBondContact O-N 3.48Å; D66-E69 PolarHBondContact O-N 3.35Å; E69-Q72 PolarHBondContact O-N 3.47Å; E69-N73 WeakPolarHBondContact O-CB 3.36Å; E69-N73 PolarHBondContact O-N 2.75Å; E69-N73 PolarHBondContact O-ND2 3.32Å |
| 70 | E | 65.8 | Low | 62.1 | Low | 140 Ų | 140 | 102.2 Ų | 102.2 | 65% | 0.654 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.2 | -38.3 | 178.1 | -157.4 | 173.5 | -154.3 | 0 | 0 | 111.6 | D66 I67 N73 A74 | D66-E70 VanDerWaalsContact O-CB 3.29Å; D66-E70 WeakPolarHBondContact O-CB 3.1Å; D66-E70 PolarHBondContact O-N 2.76Å; I67-E70 PolarHBondContact O-N 3.49Å; E70-N73 CarbonylContact O-C 3.6Å; E70-N73 PolarHBondContact O-N 3.45Å; E70-A74 WeakPolarHBondContact O-CA 3.47Å; E70-A74 VanDerWaalsContact O-CB 3.28Å; E70-A74 WeakPolarHBondContact O-CB 3.45Å; E70-A74 PolarHBondContact O-N 2.87Å |
| 71 | I | 64.3 | Low | 60.5 | Low | 116 Ų | 116 | 108.8 Ų | 108.8 | 60% | 0.595 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.9 | -36.9 | 172.6 | -69.6 | 166.3 | 0 | 0 | 0 | 111.5 | I67 N73 A74 P75 | I67-I71 HydrophobicContact CG2-CD1 3.77Å; I67-I71 HydrophobicContact CG2-CG1 4.41Å; I67-I71 WeakPolarHBondContact O-CB 3.29Å; I67-I71 WeakPolarHBondContact O-CD1 3.11Å; I67-I71 WeakPolarHBondContact O-CG1 3.44Å; I67-I71 PolarHBondContact O-N 3.29Å; I71-N73 VanDerWaalsContact C-N 3.34Å; I71-A74 PolarHBondContact O-N 2.74Å; I71-P75 WeakPolarHBondContact O-CD 3.46Å |
| 72 | Q | 57.9 | Low | 58.3 | Low | 145 Ų | 145 | 114.8 Ų | 114.8 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.5 | -28.2 | 177.5 | -168.1 | 166.9 | -2.6 | 0 | 0 | 112.1 | R68 E69 P75 | R68-Q72 VanDerWaalsContact O-CB 3.25Å; R68-Q72 WeakPolarHBondContact O-CB 3.28Å; R68-Q72 PolarHBondContact O-N 2.82Å; E69-Q72 PolarHBondContact O-N 3.47Å; Q72-P75 WeakPolarHBondContact O-CD 3.23Å |
| 73 | N | 55.4 | Low | 56.3 | Low | 90 Ų | 90 | 111.5 Ų | 111.5 | 48% | 0.481 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -92.1 | -11.8 | 175.3 | -67.2 | -36.1 | 0 | 0 | 0 | 113.3 | E69 E70 I71 P75 S76 G77 | E69-N73 WeakPolarHBondContact O-CB 3.36Å; E69-N73 PolarHBondContact O-N 2.75Å; E69-N73 PolarHBondContact O-ND2 3.32Å; E70-N73 CarbonylContact O-C 3.6Å; E70-N73 PolarHBondContact O-N 3.45Å; I71-N73 VanDerWaalsContact C-N 3.34Å; N73-P75 VanDerWaalsContact C-CD 3.42Å; N73-S76 VanDerWaalsContact C-OG 3.3Å; N73-S76 VanDerWaalsContact CA-OG 3.29Å; N73-S76 WeakPolarHBondContact CA-OG 3.43Å; N73-S76 CarbonylContact O-C 3.57Å; N73-S76 PolarHBondContact O-N 3.15Å; N73-S76 VanDerWaalsContact O-N 3.1Å; N73-S76 PolarHBondContact O-OG 2.79Å; N73-G77 PolarHBondContact O-N 3.5Å |
| 74 | A | 47.4 | Very low | 54 | Low | 56 Ų | 56 | 112.4 Ų | 112.4 | 46% | 0.463 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.1 | -36.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E70 I71 G77 A78 | E70-A74 WeakPolarHBondContact O-CA 3.47Å; E70-A74 VanDerWaalsContact O-CB 3.28Å; E70-A74 WeakPolarHBondContact O-CB 3.45Å; E70-A74 PolarHBondContact O-N 2.87Å; I71-A74 PolarHBondContact O-N 2.74Å; A74-G77 PolarHBondContact O-N 3.49Å; A74-A78 WeakPolarHBondContact O-CB 3.44Å; A74-A78 PolarHBondContact O-N 2.87Å |
| 75 | P | 48.1 | Very low | 52.2 | Low | 76 Ų | 76 | 113.6 Ų | 113.6 | 49% | 0.494 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.2 | -40.4 | 172.5 | -18 | 30.9 | 0 | 0 | 0 | 111.6 | I71 Q72 N73 A78 L79 | I71-P75 WeakPolarHBondContact O-CD 3.46Å; Q72-P75 WeakPolarHBondContact O-CD 3.23Å; N73-P75 VanDerWaalsContact C-CD 3.42Å; P75-A78 PolarHBondContact O-N 3.35Å; P75-L79 VanDerWaalsContact O-CD1 3.25Å; P75-L79 WeakPolarHBondContact O-CD1 3.42Å; P75-L79 PolarHBondContact O-N 2.79Å |
| 76 | S | 49.1 | Very low | 50.2 | Low | 63 Ų | 63 | 119.8 Ų | 119.8 | 44% | 0.441 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.9 | -29.7 | 175.6 | 40.2 | 0 | 0 | 0 | 0 | 113.6 | N73 R80 | N73-S76 VanDerWaalsContact C-OG 3.3Å; N73-S76 VanDerWaalsContact CA-OG 3.29Å; N73-S76 WeakPolarHBondContact CA-OG 3.43Å; N73-S76 CarbonylContact O-C 3.57Å; N73-S76 PolarHBondContact O-N 3.15Å; N73-S76 VanDerWaalsContact O-N 3.1Å; N73-S76 PolarHBondContact O-OG 2.79Å; S76-R80 PolarHBondContact O-N 3.24Å; S76-R80 VanDerWaalsContact O-N 3.11Å |
| 77 | G | 46.6 | Very low | 48 | Very low | 33 Ų | 33 | 125.7 Ų | 125.7 | 34% | 0.34 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -72.7 | -38.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | N73 A74 R80 R81 | N73-G77 PolarHBondContact O-N 3.5Å; A74-G77 PolarHBondContact O-N 3.49Å; G77-R80 PolarHBondContact O-N 2.76Å; G77-R81 PolarHBondContact O-N 3.43Å |
| 78 | A | 41.5 | Very low | 46 | Very low | 54 Ų | 54 | 127.9 Ų | 127.9 | 45% | 0.446 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.9 | -38.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A74 P75 R81 | A74-A78 WeakPolarHBondContact O-CB 3.44Å; A74-A78 PolarHBondContact O-N 2.87Å; P75-A78 PolarHBondContact O-N 3.35Å; A78-R81 PolarHBondContact O-N 2.71Å |
| 79 | L | 42.7 | Very low | 44.1 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 73% | 0.728 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -67.5 | -31.7 | 173.2 | -98.2 | 106 | 0 | 0 | 0 | 113.6 | P75 | P75-L79 VanDerWaalsContact O-CD1 3.25Å; P75-L79 WeakPolarHBondContact O-CD1 3.42Å; P75-L79 PolarHBondContact O-N 2.79Å |
| 80 | R | 42.6 | Very low | 42.1 | Very low | 218 Ų | 218 | 132.9 Ų | 132.9 | 82% | 0.823 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -72.6 | -24 | 172.4 | -87.6 | -172.8 | -168.6 | -120.2 | 3.1 | 113.8 | S76 G77 F82 | S76-R80 PolarHBondContact O-N 3.24Å; S76-R80 VanDerWaalsContact O-N 3.11Å; G77-R80 PolarHBondContact O-N 2.76Å; R80-F82 VanDerWaalsContact C-N 3.34Å |
| 81 | R | 41.4 | Very low | 40.9 | Very low | 227 Ų | 227 | 131.6 Ų | 131.6 | 86% | 0.857 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -81.7 | -8.5 | 178.5 | -73.4 | -173.8 | -173.3 | -162.3 | 4.2 | 114.3 | G77 A78 | G77-R81 PolarHBondContact O-N 3.43Å; A78-R81 PolarHBondContact O-N 2.71Å |
| 82 | F | 37.7 | Very low | 39.1 | Very low | 200 Ų | 200 | 133.8 Ų | 133.8 | 88% | 0.877 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 5.5 | 171.8 | -84.4 | -81.2 | 0 | 0 | 0 | 114.2 | R80 | R80-F82 VanDerWaalsContact C-N 3.34Š|
| 83 | G | 38.1 | Very low | 37.7 | Very low | 57 Ų | 57 | 138 Ų | 138 | 59% | 0.588 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -131.6 | 69.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 84 | S | 27.7 | Very low | 36.4 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | -168.2 | 108.2 | 155.5 | -170.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 85 | P | 37.5 | Very low | 35.3 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 79% | 0.792 | 73% | 0.727 | S | S | * | * | trans | -92.5 | 140.2 | 156.2 | 29.6 | -19.9 | 0 | 0 | 0 | 110.7 | ||||
| 86 | Y | 29.3 | Very low | 34.5 | Very low | 230 Ų | 230 | 146.1 Ų | 146.1 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | trans | -39.4 | 134.2 | 174.3 | -96.3 | -107.9 | 0 | 0 | 0 | 114.7 | ||||
| 87 | R | 28.6 | Very low | 33.5 | Very low | 219 Ų | 219 | 151.1 Ų | 151.1 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -77.4 | 144.2 | 163.2 | -134.6 | -169.2 | -154.6 | -147.6 | 4.1 | 110.2 | ||||
| 88 | N | 28.6 | Very low | 32.6 | Very low | 134 Ų | 134 | 156.2 Ų | 156.2 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | trans | 81.9 | 93.3 | 158.3 | -57.2 | -13.5 | 0 | 0 | 0 | 118.9 | ||||
| 89 | R | 26.9 | Very low | 32 | Very low | 246 Ų | 246 | 163.1 Ų | 163.1 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | -163.5 | 112.5 | 111.5 | -149.9 | 174.8 | -75.6 | -128.7 | 3.1 | 111.1 | |||||
| 90 | S | 27 | Very low | 31.5 | Very low | 114 Ų | 114 | 163.9 Ų | 163.9 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -91.1 | 161.1 | 151 | -57.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 91 | P | 41.1 | Very low | 30.8 | Very low | 113 Ų | 113 | 163.7 Ų | 163.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | cis | -126.1 | 174.9 | 32.3 | 37.4 | -17.2 | 0 | 0 | 0 | 112.1 | ||||
| 92 | E | 25.4 | Very low | 30.2 | Very low | 163 Ų | 163 | 161 Ų | 161 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | cis | -175.4 | 143.1 | 43.2 | -148.2 | 163.1 | -155.1 | 0 | 0 | 110 | ||||
| 93 | R | 29.4 | Very low | 29.7 | Very low | 234 Ų | 234 | 160.8 Ų | 160.8 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | 30.9 | 119.6 | 152.1 | -73.5 | 173.4 | 166.8 | 171.6 | -4.2 | 121.6 | ||||
| 94 | S | 26.9 | Very low | 29.2 | Very low | 120 Ų | 120 | 164.5 Ų | 164.5 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | -176.1 | 130.4 | 103.4 | -175.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 95 | C | 25.5 | Very low | 29.6 | Very low | 107 Ų | 107 | 165 Ų | 165 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | trans | -79.4 | 151.4 | -179.9 | -61.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 96 | H | 30.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 163.6 Ų | 163.6 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | 178.3 | 117.2 | 115.8 | -93.8 | 75.2 | 0 | 0 | 0 | 113.2 | |||||
| 97 | K | 29.6 | Very low | 29.4 | Very low | 169 Ų | 169 | 161 Ų | 161 | 74% | 0.735 | 79% | 0.794 | S | S | * | * | trans | 56.1 | 117.9 | 138.3 | -74.2 | -177.9 | 176.8 | 173 | 0 | 123.7 | ||||
| 98 | I | 27.7 | Very low | 29.5 | Very low | 140 Ų | 140 | 159.4 Ų | 159.4 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | 70 | 117.1 | 125.7 | -55.3 | 166.7 | 0 | 0 | 0 | 115.6 | |||||
| 99 | K | 28.6 | Very low | 29.9 | Very low | 199 Ų | 199 | 158 Ų | 158 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | -168.1 | 136 | 65 | -142.7 | 164 | -170.3 | 178.4 | 0 | 110.3 | |||||
| 100 | I | 30.8 | Very low | 30.5 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 80% | 0.795 | 79% | 0.794 | S | S | * | * | trans | -80.6 | 134.2 | 175.2 | -65.2 | 167.1 | 0 | 0 | 0 | 109.5 | ||||
| 101 | K | 27.8 | Very low | 30.9 | Very low | 214 Ų | 214 | 148.9 Ų | 148.9 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -134.7 | 135 | 142.6 | -105.7 | -175 | 177.3 | -175.6 | 0 | 108.7 | ||||
| 102 | K | 29.7 | Very low | 30.6 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | trans | -104.7 | 173.5 | -168.1 | -137.5 | -172.9 | -174.2 | -171.2 | 0 | 109.8 | ||||
| 103 | Y | 27.4 | Very low | 31.5 | Very low | 196 Ų | 196 | 148.1 Ų | 148.1 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 86.9 | 143.2 | 174.9 | -67.6 | -86.1 | 0 | 0 | 0 | 114.8 | ||||
| 104 | D | 28.5 | Very low | 32 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | -176.1 | 160.8 | -30.5 | -106.9 | -5.8 | 0 | 0 | 0 | 104.1 | ||||
| 105 | S | 35.7 | Very low | 32.6 | Very low | 120 Ų | 120 | 140.9 Ų | 140.9 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | -46.4 | 149.9 | -179 | -47.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 106 | A | 30 | Very low | 33.6 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | trans | -163.1 | 111.1 | 140 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 107 | E | 32.3 | Very low | 34.2 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | 55.5 | 113.4 | 84.4 | -87.7 | -178.5 | -175.6 | 0 | 0 | 115.3 | |||||
| 108 | E | 29.6 | Very low | 34.9 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | 71.1 | 107 | 141.6 | -63.7 | -172 | 160.1 | 0 | 0 | 121.7 | A110 | E108-A110 PolarHBondContact O-N 3.25Š| ||
| 109 | S | 37.1 | Very low | 35.5 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -68.3 | 103.5 | 162.3 | 152.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 110 | A | 40.8 | Very low | 36.4 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 88% | 0.876 | 72% | 0.715 | S | S | * | * | trans | -143.1 | 72.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | E108 | E108-A110 PolarHBondContact O-N 3.25Š| ||
| 111 | G | 35.6 | Very low | 37.2 | Very low | 62 Ų | 62 | 127.4 Ų | 127.4 | 64% | 0.639 | 70% | 0.702 | S | S | * | * | trans | -168.9 | 18.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 112 | F | 34.2 | Very low | 38 | Very low | 155 Ų | 155 | 119.7 Ų | 119.7 | 68% | 0.68 | 68% | 0.678 | S | S | * | * | trans | -102.1 | -5.5 | -174.4 | -89.2 | -77.2 | 0 | 0 | 0 | 115.7 | ||||
| 113 | S | 43.9 | Very low | 38.9 | Very low | 105 Ų | 105 | 116.2 Ų | 116.2 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -84.6 | -32.5 | -175.5 | -160.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 114 | A | 39.3 | Very low | 40 | Very low | 74 Ų | 74 | 109.7 Ų | 109.7 | 61% | 0.612 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -80.5 | -17.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T118 | A114-T118 PolarHBondContact O-OG1 2.67Å; A114-T118 VanDerWaalsContact O-OG1 3.1Å |
| 115 | H | 40 | Very low | 40.7 | Very low | 128 Ų | 128 | 107.9 Ų | 107.9 | 59% | 0.593 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -83.6 | -23.5 | -175.2 | -147.8 | 49.7 | 0 | 0 | 0 | 113.2 | L119 | H115-L119 PolarHBondContact O-N 2.95Å |
| 116 | I | 45.9 | Very low | 41 | Very low | 115 Ų | 115 | 106 Ų | 106 | 59% | 0.59 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.2 | -30.7 | -178.4 | -62.5 | 178.4 | 0 | 0 | 0 | 111.1 | T120 | I116-T120 WeakPolarHBondContact O-CB 3.49Å; I116-T120 PolarHBondContact O-N 3.29Å; I116-T120 PolarHBondContact O-OG1 2.86Å |
| 117 | E | 43.1 | Very low | 41.6 | Very low | 153 Ų | 153 | 106.7 Ų | 106.7 | 72% | 0.715 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.2 | -40.1 | 175.2 | -103.4 | 172.2 | 165.2 | 0 | 0 | 112.5 | T120 Q121 | E117-T120 PolarHBondContact O-N 3.38Å; E117-Q121 PolarHBondContact O-N 3.25Å; E117-Q121 VanDerWaalsContact O-N 3.14Å |
| 118 | T | 44.5 | Very low | 41.9 | Very low | 97 Ų | 97 | 103.2 Ų | 103.2 | 60% | 0.595 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.4 | -34.6 | -179.6 | -36 | 0 | 0 | 0 | 0 | 112.8 | A114 A122 | A114-T118 PolarHBondContact O-OG1 2.67Å; A114-T118 VanDerWaalsContact O-OG1 3.1Å; T118-A122 PolarHBondContact O-N 3.44Å |
| 119 | L | 41.7 | Very low | 42.6 | Very low | 94 Ų | 94 | 99.6 Ų | 99.6 | 49% | 0.492 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.4 | -34.8 | 174.8 | -100.4 | 152.5 | 0 | 0 | 0 | 112.2 | H115 I123 | H115-L119 PolarHBondContact O-N 2.95Å; L119-I123 WeakPolarHBondContact O-CD1 3.46Å; L119-I123 WeakPolarHBondContact O-CG1 3.42Å; L119-I123 PolarHBondContact O-N 2.86Å |
| 120 | T | 47 | Very low | 42.8 | Very low | 81 Ų | 81 | 101.7 Ų | 101.7 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.9 | -38.1 | 178.3 | -51.9 | 0 | 0 | 0 | 0 | 111 | I116 E117 I123 V124 | I116-T120 WeakPolarHBondContact O-CB 3.49Å; I116-T120 PolarHBondContact O-N 3.29Å; I116-T120 PolarHBondContact O-OG1 2.86Å; E117-T120 PolarHBondContact O-N 3.38Å; T120-I123 PolarHBondContact O-N 2.79Å; T120-V124 VanDerWaalsContact O-CG2 3.28Å; T120-V124 WeakPolarHBondContact O-CG2 3.49Å; T120-V124 PolarHBondContact O-N 3.23Å; T120-V124 VanDerWaalsContact O-N 3.14Å |
| 121 | Q | 46.7 | Very low | 42.8 | Very low | 112 Ų | 112 | 105.1 Ų | 105.1 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.5 | -38.9 | 176.5 | -164.5 | 61 | 44.8 | 0 | 0 | 112.7 | E117 I123 V124 D125 | E117-Q121 PolarHBondContact O-N 3.25Å; E117-Q121 VanDerWaalsContact O-N 3.14Å; Q121-I123 VanDerWaalsContact C-N 3.34Å; Q121-I123 PolarHBondContact O-N 3.37Å; Q121-V124 PolarHBondContact O-N 3.39Å; Q121-D125 PolarHBondContact NE2-OD1 3.42Å; Q121-D125 PolarHBondContact O-N 3.41Å |
| 122 | A | 44.2 | Very low | 43.2 | Very low | 51 Ų | 51 | 110.3 Ų | 110.3 | 42% | 0.421 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.8 | -30 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T118 C126 | T118-A122 PolarHBondContact O-N 3.44Å; A122-C126 PolarHBondContact O-N 3.07Å; A122-C126 PolarHBondContact O-SG 3.49Å |
| 123 | I | 49.4 | Very low | 43.5 | Very low | 97 Ų | 97 | 110.3 Ų | 110.3 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -74.5 | -35.8 | 175.3 | -69.8 | 166.5 | 0 | 0 | 0 | 111 | L119 T120 Q121 C126 M127 | L119-I123 WeakPolarHBondContact O-CD1 3.46Å; L119-I123 WeakPolarHBondContact O-CG1 3.42Å; L119-I123 PolarHBondContact O-N 2.86Å; T120-I123 PolarHBondContact O-N 2.79Å; Q121-I123 VanDerWaalsContact C-N 3.34Å; Q121-I123 PolarHBondContact O-N 3.37Å; I123-C126 PolarHBondContact O-N 2.88Å; I123-M127 WeakPolarHBondContact O-CG 3.3Å; I123-M127 PolarHBondContact O-N 3.48Å |
| 124 | V | 51.3 | Low | 43.3 | Very low | 59 Ų | 59 | 114.6 Ų | 114.6 | 36% | 0.358 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.7 | -44.9 | 174.8 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | T120 Q121 C126 M127 D128 | T120-V124 VanDerWaalsContact O-CG2 3.28Å; T120-V124 WeakPolarHBondContact O-CG2 3.49Å; T120-V124 PolarHBondContact O-N 3.23Å; T120-V124 VanDerWaalsContact O-N 3.14Å; Q121-V124 PolarHBondContact O-N 3.39Å; V124-C126 VanDerWaalsContact C-N 3.32Å; V124-C126 PolarHBondContact O-N 3.29Å; V124-M127 PolarHBondContact O-N 3.28Å; V124-D128 PolarHBondContact O-N 2.89Å |
| 125 | D | 43.1 | Very low | 43.4 | Very low | 97 Ų | 97 | 116.8 Ų | 116.8 | 52% | 0.519 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.4 | -29.6 | 179.2 | -65.3 | -10.5 | 0 | 0 | 0 | 112.7 | Q121 | Q121-D125 PolarHBondContact NE2-OD1 3.42Å; Q121-D125 PolarHBondContact O-N 3.41Å |
| 126 | C | 41.5 | Very low | 43.1 | Very low | 81 Ų | 81 | 119.5 Ų | 119.5 | 55% | 0.547 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -75.9 | -26 | 175 | -75.1 | 0 | 0 | 0 | 0 | 114 | A122 I123 V124 T129 | A122-C126 PolarHBondContact O-N 3.07Å; A122-C126 PolarHBondContact O-SG 3.49Å; I123-C126 PolarHBondContact O-N 2.88Å; V124-C126 VanDerWaalsContact C-N 3.32Å; V124-C126 PolarHBondContact O-N 3.29Å; C126-T129 PolarHBondContact O-OG1 3.33Å |
| 127 | M | 41.9 | Very low | 43 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 54% | 0.537 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -80.5 | -25.7 | 179 | -74.4 | -164.3 | -52.6 | 0 | 0 | 112.8 | I123 V124 T129 L130 | I123-M127 WeakPolarHBondContact O-CG 3.3Å; I123-M127 PolarHBondContact O-N 3.48Å; V124-M127 PolarHBondContact O-N 3.28Å; M127-T129 VanDerWaalsContact C-N 3.35Å; M127-L130 PolarHBondContact O-N 3.31Å |
| 128 | D | 39.5 | Very low | 42.5 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 55% | 0.551 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -75 | -25.4 | 178 | -77 | -20.4 | 0 | 0 | 0 | 112.5 | V124 L130 | V124-D128 PolarHBondContact O-N 2.89Å; D128-L130 VanDerWaalsContact C-N 3.34Å |
| 129 | T | 43.4 | Very low | 42 | Very low | 107 Ų | 107 | 132 Ų | 132 | 66% | 0.656 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -15.8 | 171.3 | 42.6 | 0 | 0 | 0 | 0 | 114.5 | C126 M127 | C126-T129 PolarHBondContact O-OG1 3.33Å; M127-T129 VanDerWaalsContact C-N 3.35Å |
| 130 | L | 40.8 | Very low | 41.9 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -0.3 | -179 | -77.2 | 168.8 | 0 | 0 | 0 | 114.2 | M127 D128 | M127-L130 PolarHBondContact O-N 3.31Å; D128-L130 VanDerWaalsContact C-N 3.34Å |
| 131 | K | 42 | Very low | 41.9 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -98 | 0.7 | 177.4 | -80.4 | -179 | 179.1 | 170.2 | 0 | 114.5 | ||
| 132 | Q | 44.5 | Very low | 42.1 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -116.3 | 10.5 | -171.4 | -129 | 178.3 | 1.9 | 0 | 0 | 116.6 | ||
| 133 | D | 39.8 | Very low | 42.2 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 82% | 0.824 | 71% | 0.708 | S | S | * | * | trans | -131.3 | 79.6 | 170.5 | -98.2 | -16.6 | 0 | 0 | 0 | 111.2 | ||||
| 134 | E | 38.9 | Very low | 41.9 | Very low | 196 Ų | 196 | 139.7 Ų | 139.7 | 92% | 0.916 | 72% | 0.721 | S | S | * | * | trans | -120.9 | 51.2 | 162.4 | -153.6 | -179.8 | -159.8 | 0 | 0 | 109.5 | ||||
| 135 | V | 41.7 | Very low | 41.7 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -142.2 | 130.6 | 163.6 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 136 | Q | 34.3 | Very low | 42 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | trans | 82.6 | 88.7 | 173.3 | -78 | 165.1 | -21.1 | 0 | 0 | 118.2 | ||||
| 137 | R | 43.8 | Very low | 42.3 | Very low | 241 Ų | 241 | 142.6 Ų | 142.6 | 91% | 0.909 | 74% | 0.737 | S | S | * | * | trans | -60.7 | 120.4 | 139.8 | -79.4 | -178.1 | -82.1 | 165.2 | -6.4 | 109.2 | ||||
| 138 | D | 33 | Very low | 42.6 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | 176.5 | 146.1 | 122.9 | -108.2 | -13.4 | 0 | 0 | 0 | 113.1 | |||||
| 139 | R | 33.3 | Very low | 43.1 | Very low | 234 Ų | 234 | 142.6 Ų | 142.6 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | trans | 76.7 | 105.4 | 167.5 | -68.4 | -179.7 | -166.8 | -139.2 | -0.4 | 118.1 | ||||
| 140 | G | 39.3 | Very low | 43.3 | Very low | 63 Ų | 63 | 139.8 Ų | 139.8 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | trans | -69.6 | -177.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 141 | S | 48 | Very low | 43.7 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 89% | 0.888 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 97.2 | 36.8 | -176.8 | 75 | 0 | 0 | 0 | 0 | 117.7 | ||
| 142 | S | 50.8 | Low | 44.2 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | trans | -152.6 | 29.3 | 164.4 | -170.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 143 | E | 44.9 | Very low | 44.5 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -99.3 | -8.4 | -179.6 | -78.9 | 174.3 | 149.8 | 0 | 0 | 114 | ||
| 144 | M | 44.8 | Very low | 44.9 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 78% | 0.778 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -86.8 | -39.4 | 177.4 | -147.6 | 121.6 | -174.5 | 0 | 0 | 111.8 | A146 L147 E148 | M144-A146 VanDerWaalsContact C-N 3.34Å; M144-A146 PolarHBondContact O-N 2.86Å; M144-L147 PolarHBondContact O-N 3.14Å; M144-E148 PolarHBondContact O-N 3.43Å; M144-E148 VanDerWaalsContact O-N 3.13Å |
| 145 | D | 45.9 | Very low | 45.5 | Very low | 104 Ų | 104 | 123.1 Ų | 123.1 | 56% | 0.556 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.2 | -20.4 | -178.7 | -61.6 | -19.4 | 0 | 0 | 0 | 113.5 | N149 | D145-N149 WeakPolarHBondContact O-CB 3.49Å; D145-N149 PolarHBondContact O-N 3.36Å; D145-N149 PolarHBondContact O-ND2 2.92Å |
| 146 | A | 50.9 | Low | 45.8 | Very low | 63 Ų | 63 | 123.5 Ų | 123.5 | 52% | 0.521 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -79.8 | -32.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M144 A150 | M144-A146 VanDerWaalsContact C-N 3.34Å; M144-A146 PolarHBondContact O-N 2.86Å; A146-A150 WeakPolarHBondContact O-CB 3.37Å; A146-A150 PolarHBondContact O-N 3.39Å |
| 147 | L | 47.4 | Very low | 46.4 | Very low | 131 Ų | 131 | 120.7 Ų | 120.7 | 69% | 0.686 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -76 | -33.9 | 174.4 | -95.5 | 157.9 | 0 | 0 | 0 | 111.9 | M144 A150 A151 | M144-L147 PolarHBondContact O-N 3.14Å; L147-A150 PolarHBondContact O-N 3.34Å; L147-A151 WeakPolarHBondContact O-CB 3.33Å; L147-A151 PolarHBondContact O-N 3.45Å |
| 148 | E | 46.7 | Very low | 46.5 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 56% | 0.556 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -71.6 | -39.7 | 175.8 | -163.8 | 154.3 | -161 | 0 | 0 | 111.8 | M144 A150 A151 E152 | M144-E148 PolarHBondContact O-N 3.43Å; M144-E148 VanDerWaalsContact O-N 3.13Å; E148-A150 PolarHBondContact O-N 3.11Å; E148-A151 PolarHBondContact O-N 3.13Å; E148-E152 PolarHBondContact O-N 2.9Å |
| 149 | N | 50.9 | Low | 47.1 | Very low | 93 Ų | 93 | 114.4 Ų | 114.4 | 50% | 0.497 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.3 | -35.8 | 171 | -93.4 | -65.4 | 0 | 0 | 0 | 113.3 | D145 E152 Q153 | D145-N149 WeakPolarHBondContact O-CB 3.49Å; D145-N149 PolarHBondContact O-N 3.36Å; D145-N149 PolarHBondContact O-ND2 2.92Å; N149-E152 PolarHBondContact O-N 2.89Å; N149-Q153 WeakPolarHBondContact O-CG 3.31Å; N149-Q153 PolarHBondContact O-N 3.49Å |
| 150 | A | 48.5 | Very low | 47.5 | Very low | 48 Ų | 48 | 108.9 Ų | 108.9 | 40% | 0.397 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.2 | -33.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A146 L147 E148 L154 | A146-A150 WeakPolarHBondContact O-CB 3.37Å; A146-A150 PolarHBondContact O-N 3.39Å; L147-A150 PolarHBondContact O-N 3.34Å; E148-A150 PolarHBondContact O-N 3.11Å; A150-L154 WeakPolarHBondContact O-CG 3.48Å; A150-L154 PolarHBondContact O-N 3.05Å; A150-L154 VanDerWaalsContact O-N 3.14Å |
| 151 | A | 48 | Very low | 47.9 | Very low | 52 Ų | 52 | 113.4 Ų | 113.4 | 43% | 0.43 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -72.3 | -34.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L147 E148 S155 | L147-A151 WeakPolarHBondContact O-CB 3.33Å; L147-A151 PolarHBondContact O-N 3.45Å; E148-A151 PolarHBondContact O-N 3.13Å; A151-S155 WeakPolarHBondContact O-CB 3.45Å; A151-S155 PolarHBondContact O-N 3.18Å; A151-S155 VanDerWaalsContact O-N 3.09Å; A151-S155 PolarHBondContact O-OG 2.82Å |
| 152 | E | 53.2 | Low | 47.7 | Very low | 115 Ų | 115 | 113.2 Ų | 113.2 | 54% | 0.537 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.4 | -37.5 | 173.5 | -76.5 | -174.2 | 155 | 0 | 0 | 112.5 | E148 N149 S155 H156 | E148-E152 PolarHBondContact O-N 2.9Å; N149-E152 PolarHBondContact O-N 2.89Å; E152-S155 PolarHBondContact O-N 3.39Å; E152-H156 PolarHBondContact O-N 2.88Å |
| 153 | Q | 50.6 | Low | 47.1 | Very low | 136 Ų | 136 | 117.7 Ų | 117.7 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68 | -34.9 | 174 | -73.6 | -163 | 9.3 | 0 | 0 | 113.1 | N149 H156 L157 | N149-Q153 WeakPolarHBondContact O-CG 3.31Å; N149-Q153 PolarHBondContact O-N 3.49Å; Q153-H156 PolarHBondContact O-N 3.43Å; Q153-L157 PolarHBondContact O-N 3.25Å; Q153-L157 VanDerWaalsContact O-N 3.13Å |
| 154 | L | 47.5 | Very low | 46.7 | Very low | 118 Ų | 118 | 113.5 Ų | 113.5 | 62% | 0.618 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.2 | -34.5 | 173.2 | -79.2 | 168.5 | 0 | 0 | 0 | 112.5 | A150 Q158 | A150-L154 WeakPolarHBondContact O-CG 3.48Å; A150-L154 PolarHBondContact O-N 3.05Å; A150-L154 VanDerWaalsContact O-N 3.14Å; L154-Q158 WeakPolarHBondContact O-CG 3.49Å; L154-Q158 PolarHBondContact O-N 3.41Å |
| 155 | S | 52.2 | Low | 46.4 | Very low | 78 Ų | 78 | 113.9 Ų | 113.9 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.2 | -36.7 | 175.6 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | A151 E152 L159 | A151-S155 WeakPolarHBondContact O-CB 3.45Å; A151-S155 PolarHBondContact O-N 3.18Å; A151-S155 VanDerWaalsContact O-N 3.09Å; A151-S155 PolarHBondContact O-OG 2.82Å; E152-S155 PolarHBondContact O-N 3.39Å; S155-L159 PolarHBondContact O-N 2.74Å |
| 156 | H | 47.4 | Very low | 46.1 | Very low | 127 Ų | 127 | 114 Ų | 114 | 59% | 0.588 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.8 | -32 | 175.8 | -94.1 | -79.7 | 0 | 0 | 0 | 113.9 | E152 Q153 N160 | E152-H156 PolarHBondContact O-N 2.88Å; Q153-H156 PolarHBondContact O-N 3.43Å; H156-N160 PolarHBondContact O-N 3.35Å |
| 157 | L | 46.5 | Very low | 45.8 | Very low | 125 Ų | 125 | 120 Ų | 120 | 65% | 0.654 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -72 | -31.2 | 174.6 | -89.6 | 158.6 | 0 | 0 | 0 | 113.1 | Q153 | Q153-L157 PolarHBondContact O-N 3.25Å; Q153-L157 VanDerWaalsContact O-N 3.13Å |
| 158 | Q | 47.8 | Very low | 45.3 | Very low | 146 Ų | 146 | 122.6 Ų | 122.6 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -73.9 | -35 | 175.1 | -69.3 | -114.7 | -37.1 | 0 | 0 | 112.4 | L154 K161 I162 | L154-Q158 WeakPolarHBondContact O-CG 3.49Å; L154-Q158 PolarHBondContact O-N 3.41Å; Q158-K161 PolarHBondContact O-N 3.18Å; Q158-I162 WeakPolarHBondContact O-CG1 3.36Å |
| 159 | L | 44.4 | Very low | 44.9 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -75.7 | -29.5 | -178 | -158.7 | 69.2 | 0 | 0 | 0 | 113.4 | S155 | S155-L159 PolarHBondContact O-N 2.74Å |
| 160 | N | 42.4 | Very low | 44.5 | Very low | 118 Ų | 118 | 128 Ų | 128 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -78.7 | -17.5 | 175.6 | -81.8 | -14.9 | 0 | 0 | 0 | 113.9 | H156 | H156-N160 PolarHBondContact O-N 3.35Å |
| 161 | K | 47.5 | Very low | 44.1 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 68% | 0.683 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -86.2 | -19 | 174.7 | -114 | 177.6 | 179.1 | 178.7 | 0 | 114 | Q158 K163 | Q158-K161 PolarHBondContact O-N 3.18Å; K161-K163 VanDerWaalsContact C-N 3.34Å |
| 162 | I | 42.5 | Very low | 44.2 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -80.2 | -19.8 | 175.2 | -63.8 | 169.9 | 0 | 0 | 0 | 111.4 | Q158 | Q158-I162 WeakPolarHBondContact O-CG1 3.36Å |
| 163 | K | 40 | Very low | 44.3 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 78% | 0.783 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -91.7 | -7.3 | 179.6 | -118.2 | 178.3 | -178 | 179.4 | 0 | 115.6 | K161 | K161-K163 VanDerWaalsContact C-N 3.34Š|
| 164 | A | 36.5 | Very low | 44.8 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 62% | 0.62 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -104.9 | 6.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 165 | H | 38.5 | Very low | 45.7 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -122.5 | 24.4 | 177.1 | -70.8 | -52.7 | 0 | 0 | 0 | 113.4 | ||
| 166 | T | 39.3 | Very low | 46.6 | Very low | 107 Ų | 107 | 135 Ų | 135 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | trans | -111.4 | 22.7 | 176 | 3.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 167 | E | 44.6 | Very low | 47.8 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 88% | 0.879 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -128.8 | 75.7 | 168.6 | -71.3 | -176.4 | 179.6 | 0 | 0 | 108.6 | ||
| 168 | E | 36.4 | Very low | 49.3 | Very low | 185 Ų | 185 | 128.9 Ų | 128.9 | 86% | 0.864 | 65% | 0.646 | S | S | * | * | trans | 177.5 | 42.6 | 147.6 | -96.7 | 176.3 | -154.1 | 0 | 0 | 109.4 | E170 | E168-E170 PolarHBondContact O-N 3.34Š| ||
| 169 | E | 37.5 | Very low | 50.8 | Low | 196 Ų | 196 | 128.3 Ų | 128.3 | 92% | 0.916 | 65% | 0.645 | S | S | * | * | trans | -73.5 | 72.6 | 149.3 | -88.4 | -170.3 | 153.8 | 0 | 0 | 107.6 | T171 | E169-T171 VanDerWaalsContact C-N 3.3Å; E169-T171 PolarHBondContact O-N 3.4Å | ||
| 170 | E | 43.6 | Very low | 52.6 | Low | 129 Ų | 129 | 127.6 Ų | 127.6 | 60% | 0.603 | 64% | 0.638 | S | S | * | * | trans | -66.1 | 102.5 | 150.5 | -83.8 | -157.3 | 172.6 | 0 | 0 | 106.8 | E168 F172 R176 | E168-E170 PolarHBondContact O-N 3.34Å; E170-F172 PolarHBondContact O-N 3.4Å; E170-R176 IonicContact OE2-CZ 2.75Å; E170-R176 IonicContact OE2-NH1 2.87Å; E170-R176 PolarHBondContact OE2-NH1 3.17Å; E170-R176 IonicContact OE2-NH2 3.79Å | ||
| 171 | T | 40.3 | Very low | 54.7 | Low | 115 Ų | 115 | 127.3 Ų | 127.3 | 71% | 0.706 | 64% | 0.636 | S | S | * | * | trans | -12.1 | 100.8 | 163.7 | 39.2 | 0 | 0 | 0 | 0 | 113.8 | E169 S173 | E169-T171 VanDerWaalsContact C-N 3.3Å; E169-T171 PolarHBondContact O-N 3.4Å; T171-S173 VanDerWaalsContact C-N 3.3Å; T171-S173 PolarHBondContact O-N 2.98Å | ||
| 172 | F | 49.3 | Very low | 56.2 | Low | 190 Ų | 190 | 126.7 Ų | 126.7 | 83% | 0.833 | 63% | 0.634 | S | S | * | * | trans | -66.3 | 88.5 | 171.5 | -123.5 | -92.6 | 0 | 0 | 0 | 108.8 | E170 A177 | E170-F172 PolarHBondContact O-N 3.4Å; F172-A177 HydrophobicContact CE1-CB 4.31Å | ||
| 173 | S | 55.2 | Low | 58.3 | Low | 40 Ų | 40 | 123.8 Ų | 123.8 | 28% | 0.28 | 62% | 0.624 | S | S | . | * | trans | -77.7 | 129.3 | 170.1 | 80.6 | 0 | 0 | 0 | 0 | 108.7 | T171 Q175 R176 A177 | T171-S173 VanDerWaalsContact C-N 3.3Å; T171-S173 PolarHBondContact O-N 2.98Å; S173-Q175 PolarHBondContact O-N 3.32Å; S173-Q175 VanDerWaalsContact O-N 3.07Å; S173-R176 PolarHBondContact O-N 2.98Å; S173-R176 WeakPolarHBondContact OG-CB 3Å; S173-R176 PolarHBondContact OG-N 3.33Å; S173-A177 PolarHBondContact O-N 3.14Å | ||
| 174 | P | 61.2 | Low | 60.5 | Low | 89 Ų | 89 | 120.7 Ų | 120.7 | 58% | 0.578 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -53.7 | -29.9 | 175.6 | -26.2 | 33.6 | 0 | 0 | 0 | 112.4 | I178 | P174-I178 WeakPolarHBondContact O-CB 3.4Å; P174-I178 WeakPolarHBondContact O-CD1 3.44Å; P174-I178 WeakPolarHBondContact O-CG1 3.43Å; P174-I178 PolarHBondContact O-N 2.91Å |
| 175 | Q | 66.3 | Low | 63.1 | Low | 131 Ų | 131 | 122.7 Ų | 122.7 | 61% | 0.612 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.6 | -37.1 | 175.2 | -67.1 | 96.3 | -6.2 | 0 | 0 | 113.3 | S173 I178 M179 | S173-Q175 PolarHBondContact O-N 3.32Å; S173-Q175 VanDerWaalsContact O-N 3.07Å; Q175-I178 PolarHBondContact O-N 3.37Å; Q175-M179 WeakPolarHBondContact O-CB 3.49Å; Q175-M179 PolarHBondContact O-N 3.28Å |
| 176 | R | 71.9 | Confident | 65.5 | Low | 129 Ų | 129 | 120.6 Ų | 120.6 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69.7 | -40.4 | 177.9 | -168.8 | -175.1 | -71.1 | -177.8 | -7.3 | 111.2 | E170 S173 M179 H180 | E170-R176 IonicContact OE2-CZ 2.75Å; E170-R176 IonicContact OE2-NH1 2.87Å; E170-R176 PolarHBondContact OE2-NH1 3.17Å; E170-R176 IonicContact OE2-NH2 3.79Å; S173-R176 PolarHBondContact O-N 2.98Å; S173-R176 WeakPolarHBondContact OG-CB 3Å; S173-R176 PolarHBondContact OG-N 3.33Å; R176-M179 PolarHBondContact O-N 3.39Å; R176-H180 WeakPolarHBondContact O-CB 3.22Å; R176-H180 PolarHBondContact O-N 2.95Å |
| 177 | A | 71.6 | Confident | 67.8 | Low | 32 Ų | 32 | 120.6 Ų | 120.6 | 26% | 0.264 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.2 | -42.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F172 S173 M179 H180 L181 | F172-A177 HydrophobicContact CE1-CB 4.31Å; S173-A177 PolarHBondContact O-N 3.14Å; A177-M179 VanDerWaalsContact C-N 3.32Å; A177-M179 PolarHBondContact O-N 2.83Å; A177-H180 PolarHBondContact O-N 3.02Å; A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 VanDerWaalsContact O-CG 3.31Å; A177-L181 WeakPolarHBondContact O-CG 3.31Å; A177-L181 PolarHBondContact O-N 2.88Å |
| 178 | I | 78.2 | Confident | 69.6 | Low | 93 Ų | 93 | 114.2 Ų | 114.2 | 48% | 0.477 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.9 | -40.1 | 174.7 | -69.8 | 164.6 | 0 | 0 | 0 | 111 | P174 Q175 K182 | P174-I178 WeakPolarHBondContact O-CB 3.4Å; P174-I178 WeakPolarHBondContact O-CD1 3.44Å; P174-I178 WeakPolarHBondContact O-CG1 3.43Å; P174-I178 PolarHBondContact O-N 2.91Å; Q175-I178 PolarHBondContact O-N 3.37Å; I178-K182 HydrophobicContact CG2-CD 4.28Å; I178-K182 WeakPolarHBondContact O-CB 3.39Å; I178-K182 WeakPolarHBondContact O-CG 3.44Å; I178-K182 PolarHBondContact O-N 2.86Å |
| 179 | M | 80.1 | Confident | 72.1 | Confident | 134 Ų | 134 | 110.2 Ų | 110.2 | 66% | 0.66 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.8 | -42 | 178.7 | -162 | 179.5 | -46.4 | 0 | 0 | 111.8 | Q175 R176 A177 K182 S183 | Q175-M179 WeakPolarHBondContact O-CB 3.49Å; Q175-M179 PolarHBondContact O-N 3.28Å; R176-M179 PolarHBondContact O-N 3.39Å; A177-M179 VanDerWaalsContact C-N 3.32Å; A177-M179 PolarHBondContact O-N 2.83Å; M179-K182 PolarHBondContact O-N 3.37Å; M179-S183 WeakPolarHBondContact O-CB 3.45Å; M179-S183 PolarHBondContact O-N 2.89Å |
| 180 | H | 81.1 | Confident | 74.3 | Confident | 100 Ų | 100 | 106 Ų | 106 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 174.5 | 176.9 | -100.1 | 0 | 0 | 0 | 112.1 | R176 A177 S183 K184 | R176-H180 WeakPolarHBondContact O-CB 3.22Å; R176-H180 PolarHBondContact O-N 2.95Å; A177-H180 PolarHBondContact O-N 3.02Å; H180-S183 WeakPolarHBondContact O-CB 3.3Å; H180-S183 PolarHBondContact O-N 3.38Å; H180-K184 WeakPolarHBondContact CE1-CE 3.46Å; H180-K184 WeakPolarHBondContact NE2-CE 3.44Å; H180-K184 PolarHBondContact O-N 3.29Å |
| 181 | L | 87.4 | Confident | 76.5 | Confident | 113 Ų | 113 | 106.2 Ų | 106.2 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.2 | -37.7 | 174.9 | -72.9 | 171.4 | 0 | 0 | 0 | 112.3 | A177 K184 L185 | A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 VanDerWaalsContact O-CG 3.31Å; A177-L181 WeakPolarHBondContact O-CG 3.31Å; A177-L181 PolarHBondContact O-N 2.88Å; L181-K184 PolarHBondContact O-N 3.35Å; L181-L185 VanDerWaalsContact O-CB 3.27Å; L181-L185 WeakPolarHBondContact O-CB 3.48Å; L181-L185 PolarHBondContact O-N 3.35Å |
| 182 | K | 78.4 | Confident | 78.7 | Confident | 144 Ų | 144 | 105 Ų | 105 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -38.9 | 172.4 | -79.8 | -177.4 | 176.9 | -174.5 | 0 | 112.2 | I178 M179 L185 H186 | I178-K182 HydrophobicContact CG2-CD 4.28Å; I178-K182 WeakPolarHBondContact O-CB 3.39Å; I178-K182 WeakPolarHBondContact O-CG 3.44Å; I178-K182 PolarHBondContact O-N 2.86Å; M179-K182 PolarHBondContact O-N 3.37Å; K182-L185 PolarHBondContact O-N 2.81Å; K182-H186 WeakPolarHBondContact O-CB 3.45Å; K182-H186 PolarHBondContact O-N 2.78Å |
| 183 | S | 86.1 | Confident | 80.6 | Confident | 62 Ų | 62 | 99.5 Ų | 99.5 | 43% | 0.434 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -49.1 | 175.2 | -162.7 | 0 | 0 | 0 | 0 | 111 | M179 H180 L185 H186 E187 | M179-S183 WeakPolarHBondContact O-CB 3.45Å; M179-S183 PolarHBondContact O-N 2.89Å; H180-S183 WeakPolarHBondContact O-CB 3.3Å; H180-S183 PolarHBondContact O-N 3.38Å; S183-L185 VanDerWaalsContact C-N 3.33Å; S183-L185 PolarHBondContact O-N 2.9Å; S183-H186 PolarHBondContact O-N 3.46Å; S183-H186 VanDerWaalsContact O-N 3.14Å; S183-E187 PolarHBondContact O-N 3.09Å |
| 184 | K | 87.3 | Confident | 82.2 | Confident | 116 Ų | 116 | 100.1 Ų | 100.1 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -35.6 | 177.3 | -75.6 | -162.8 | 166.7 | -172.1 | 0 | 113.1 | H180 L181 E187 A188 | H180-K184 WeakPolarHBondContact CE1-CE 3.46Å; H180-K184 WeakPolarHBondContact NE2-CE 3.44Å; H180-K184 PolarHBondContact O-N 3.29Å; L181-K184 PolarHBondContact O-N 3.35Å; K184-E187 PolarHBondContact O-N 3.47Å; K184-A188 WeakPolarHBondContact O-CB 3.2Å; K184-A188 PolarHBondContact O-N 2.87Å |
| 185 | L | 89.9 | Confident | 83.5 | Confident | 116 Ų | 116 | 100.9 Ų | 100.9 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.4 | -40.1 | 173.8 | -177.5 | 64.7 | 0 | 0 | 0 | 111.3 | L181 K182 S183 Q189 | L181-L185 VanDerWaalsContact O-CB 3.27Å; L181-L185 WeakPolarHBondContact O-CB 3.48Å; L181-L185 PolarHBondContact O-N 3.35Å; K182-L185 PolarHBondContact O-N 2.81Å; S183-L185 VanDerWaalsContact C-N 3.33Å; S183-L185 PolarHBondContact O-N 2.9Å; L185-Q189 WeakPolarHBondContact O-CB 3.48Å; L185-Q189 PolarHBondContact O-N 3.48Å |
| 186 | H | 89.5 | Confident | 84.5 | Confident | 123 Ų | 123 | 97.2 Ų | 97.2 | 57% | 0.569 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67 | -41.5 | 175.7 | -173.6 | 53.2 | 0 | 0 | 0 | 111.9 | K182 S183 Q189 M190 | K182-H186 WeakPolarHBondContact O-CB 3.45Å; K182-H186 PolarHBondContact O-N 2.78Å; S183-H186 PolarHBondContact O-N 3.46Å; S183-H186 VanDerWaalsContact O-N 3.14Å; H186-Q189 WeakPolarHBondContact O-CB 3.48Å; H186-Q189 PolarHBondContact O-N 2.82Å; H186-M190 VanDerWaalsContact O-CG 3.3Å; H186-M190 WeakPolarHBondContact O-CG 3.49Å; H186-M190 PolarHBondContact O-N 3.3Å |
| 187 | E | 87.3 | Confident | 85.4 | Confident | 108 Ų | 108 | 96 Ų | 96 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.6 | -49.6 | 172.8 | -77.9 | 171.7 | 173.8 | 0 | 0 | 111.6 | S183 K184 Q189 M190 E191 | S183-E187 PolarHBondContact O-N 3.09Å; K184-E187 PolarHBondContact O-N 3.47Å; E187-Q189 PolarHBondContact O-N 3.24Å; E187-M190 PolarHBondContact O-N 3.22Å; E187-M190 VanDerWaalsContact O-N 3.13Å; E187-E191 WeakPolarHBondContact O-CG 3.4Å; E187-E191 PolarHBondContact O-N 3.47Å |
| 188 | A | 84.1 | Confident | 86.3 | Confident | 53 Ų | 53 | 99.2 Ų | 99.2 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61 | -33.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K184 N192 | K184-A188 WeakPolarHBondContact O-CB 3.2Å; K184-A188 PolarHBondContact O-N 2.87Å; A188-N192 WeakPolarHBondContact O-CB 3.5Å; A188-N192 PolarHBondContact O-N 3.14Å |
| 189 | Q | 88.4 | Confident | 86.7 | Confident | 101 Ų | 101 | 104.1 Ų | 104.1 | 47% | 0.472 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -46.1 | 174.4 | -165.3 | 78.6 | 21.9 | 0 | 0 | 111.2 | L185 H186 E187 E191 N192 D193 | L185-Q189 WeakPolarHBondContact O-CB 3.48Å; L185-Q189 PolarHBondContact O-N 3.48Å; H186-Q189 WeakPolarHBondContact O-CB 3.48Å; H186-Q189 PolarHBondContact O-N 2.82Å; E187-Q189 PolarHBondContact O-N 3.24Å; Q189-E191 VanDerWaalsContact C-N 3.32Å; Q189-E191 PolarHBondContact O-N 3.03Å; Q189-N192 PolarHBondContact O-N 3.3Å; Q189-D193 PolarHBondContact O-N 2.89Å |
| 190 | M | 83.9 | Confident | 87.1 | Confident | 108 Ų | 108 | 102.1 Ų | 102.1 | 53% | 0.532 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -37.5 | 177.8 | -69.2 | -62 | -61.1 | 0 | 0 | 112.1 | H186 E187 A194 | H186-M190 VanDerWaalsContact O-CG 3.3Å; H186-M190 WeakPolarHBondContact O-CG 3.49Å; H186-M190 PolarHBondContact O-N 3.3Å; E187-M190 PolarHBondContact O-N 3.22Å; E187-M190 VanDerWaalsContact O-N 3.13Å; M190-A194 WeakPolarHBondContact O-CB 3.33Å; M190-A194 PolarHBondContact O-N 3.24Å |
| 191 | E | 88.7 | Confident | 87.6 | Confident | 134 Ų | 134 | 103.6 Ų | 103.6 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 173.6 | -72.9 | -179.1 | 176.9 | 0 | 0 | 112 | E187 Q189 A194 L195 | E187-E191 WeakPolarHBondContact O-CG 3.4Å; E187-E191 PolarHBondContact O-N 3.47Å; Q189-E191 VanDerWaalsContact C-N 3.32Å; Q189-E191 PolarHBondContact O-N 3.03Å; E191-A194 PolarHBondContact O-N 3.36Å; E191-L195 WeakPolarHBondContact O-CB 3.45Å; E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.4Å; E191-L195 PolarHBondContact O-N 3.3Å |
| 192 | N | 86.7 | Confident | 87.5 | Confident | 89 Ų | 89 | 101.9 Ų | 101.9 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 176.2 | -161.4 | -25.2 | 0 | 0 | 0 | 111.6 | A188 Q189 A194 L195 T196 | A188-N192 WeakPolarHBondContact O-CB 3.5Å; A188-N192 PolarHBondContact O-N 3.14Å; Q189-N192 PolarHBondContact O-N 3.3Å; N192-A194 VanDerWaalsContact C-N 3.34Å; N192-A194 PolarHBondContact O-N 3.39Å; N192-L195 WeakPolarHBondContact O-CB 3.4Å; N192-L195 PolarHBondContact O-N 3.04Å; N192-L195 VanDerWaalsContact O-N 3.15Å; N192-T196 WeakPolarHBondContact O-CG2 3.38Å; N192-T196 PolarHBondContact O-N 3.38Å; N192-T196 PolarHBondContact O-OG1 3.38Å |
| 193 | D | 89.6 | Confident | 87.8 | Confident | 75 Ų | 75 | 97.8 Ų | 97.8 | 40% | 0.401 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 175.6 | -69.8 | -17.6 | 0 | 0 | 0 | 110.7 | Q189 L195 T196 D197 | Q189-D193 PolarHBondContact O-N 2.89Å; D193-L195 VanDerWaalsContact C-N 3.33Å; D193-L195 PolarHBondContact O-N 3.3Å; D193-T196 WeakPolarHBondContact CA-OG1 3.31Å; D193-T196 PolarHBondContact O-N 3.47Å; D193-T196 PolarHBondContact O-OG1 3.28Å; D193-D197 PolarHBondContact O-N 3.05Å |
| 194 | A | 89.4 | Confident | 87.8 | Confident | 52 Ų | 52 | 103 Ų | 103 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M190 E191 N192 D197 L198 | M190-A194 WeakPolarHBondContact O-CB 3.33Å; M190-A194 PolarHBondContact O-N 3.24Å; E191-A194 PolarHBondContact O-N 3.36Å; N192-A194 VanDerWaalsContact C-N 3.34Å; N192-A194 PolarHBondContact O-N 3.39Å; A194-D197 PolarHBondContact O-N 3.1Å; A194-L198 PolarHBondContact O-N 3.41Å |
| 195 | L | 87.3 | Confident | 87.9 | Confident | 105 Ų | 105 | 102.7 Ų | 102.7 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67 | -39 | 174.9 | -75.2 | 171.8 | 0 | 0 | 0 | 112.1 | E191 N192 D193 D197 L198 R199 | E191-L195 WeakPolarHBondContact O-CB 3.45Å; E191-L195 VanDerWaalsContact O-CG 3.3Å; E191-L195 WeakPolarHBondContact O-CG 3.4Å; E191-L195 PolarHBondContact O-N 3.3Å; N192-L195 WeakPolarHBondContact O-CB 3.4Å; N192-L195 PolarHBondContact O-N 3.04Å; N192-L195 VanDerWaalsContact O-N 3.15Å; D193-L195 VanDerWaalsContact C-N 3.33Å; D193-L195 PolarHBondContact O-N 3.3Å; L195-D197 VanDerWaalsContact C-N 3.35Å; L195-L198 PolarHBondContact O-N 3.48Å; L195-R199 WeakPolarHBondContact O-CG 3.47Å; L195-R199 PolarHBondContact O-N 3.21Å |
| 196 | T | 87.8 | Confident | 87.6 | Confident | 54 Ų | 54 | 103.2 Ų | 103.2 | 33% | 0.331 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 175 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | N192 D193 R199 L200 | N192-T196 WeakPolarHBondContact O-CG2 3.38Å; N192-T196 PolarHBondContact O-N 3.38Å; N192-T196 PolarHBondContact O-OG1 3.38Å; D193-T196 WeakPolarHBondContact CA-OG1 3.31Å; D193-T196 PolarHBondContact O-N 3.47Å; D193-T196 PolarHBondContact O-OG1 3.28Å; T196-R199 PolarHBondContact O-N 3.48Å; T196-L200 WeakPolarHBondContact O-CG 3.43Å; T196-L200 PolarHBondContact O-N 3.24Å |
| 197 | D | 91.1 | Very high | 87.5 | Confident | 105 Ų | 105 | 101.6 Ų | 101.6 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.9 | -42.7 | 174.5 | -92.1 | -10.3 | 0 | 0 | 0 | 112.5 | D193 A194 L195 L200 K201 | D193-D197 PolarHBondContact O-N 3.05Å; A194-D197 PolarHBondContact O-N 3.1Å; L195-D197 VanDerWaalsContact C-N 3.35Å; D197-L200 PolarHBondContact O-N 3.46Å; D197-K201 WeakPolarHBondContact O-CB 3.21Å; D197-K201 PolarHBondContact O-N 2.94Å |
| 198 | L | 89.6 | Confident | 87.3 | Confident | 99 Ų | 99 | 99.3 Ų | 99.3 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 172.6 | -86.5 | 153.9 | 0 | 0 | 0 | 111.3 | A194 L195 L200 K201 D202 | A194-L198 PolarHBondContact O-N 3.41Å; L195-L198 PolarHBondContact O-N 3.48Å; L198-L200 PolarHBondContact O-N 3.33Å; L198-K201 WeakPolarHBondContact O-CB 3.43Å; L198-K201 PolarHBondContact O-N 2.97Å; L198-D202 PolarHBondContact O-N 3.33Å |
| 199 | R | 87.6 | Confident | 87.4 | Confident | 195 Ų | 195 | 102.6 Ų | 102.6 | 74% | 0.736 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.9 | -41.2 | 176.7 | -74.8 | 178 | 67.4 | -175.8 | 0.5 | 112.5 | L195 T196 K201 D202 S203 | L195-R199 WeakPolarHBondContact O-CG 3.47Å; L195-R199 PolarHBondContact O-N 3.21Å; T196-R199 PolarHBondContact O-N 3.48Å; R199-K201 VanDerWaalsContact C-N 3.34Å; R199-D202 PolarHBondContact O-N 3.33Å; R199-S203 WeakPolarHBondContact O-CB 3.18Å; R199-S203 PolarHBondContact O-N 2.85Å |
| 200 | L | 88.9 | Confident | 87.4 | Confident | 93 Ų | 93 | 103 Ų | 103 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -35.6 | 175.8 | -74.3 | 174.4 | 0 | 0 | 0 | 112.1 | T196 D197 L198 R204 | T196-L200 WeakPolarHBondContact O-CG 3.43Å; T196-L200 PolarHBondContact O-N 3.24Å; D197-L200 PolarHBondContact O-N 3.46Å; L198-L200 PolarHBondContact O-N 3.33Å; L200-R204 WeakPolarHBondContact O-CB 3.33Å; L200-R204 WeakPolarHBondContact O-CG 3.37Å; L200-R204 PolarHBondContact O-N 3.28Å |
| 201 | K | 90.3 | Very high | 87.4 | Confident | 131 Ų | 131 | 100.5 Ų | 100.5 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.5 | -41.5 | 176.2 | -164.1 | 174.3 | -174.9 | 176.2 | 0 | 111.3 | D197 L198 R199 R204 K205 | D197-K201 WeakPolarHBondContact O-CB 3.21Å; D197-K201 PolarHBondContact O-N 2.94Å; L198-K201 WeakPolarHBondContact O-CB 3.43Å; L198-K201 PolarHBondContact O-N 2.97Å; R199-K201 VanDerWaalsContact C-N 3.34Å; K201-R204 PolarHBondContact O-N 3.31Å; K201-K205 WeakPolarHBondContact O-CG 3.43Å; K201-K205 PolarHBondContact O-N 3.46Å |
| 202 | D | 85.5 | Confident | 87.4 | Confident | 77 Ų | 77 | 100.6 Ų | 100.6 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.7 | -37.9 | 176.1 | -76.7 | -12.3 | 0 | 0 | 0 | 112.5 | L198 R199 R204 K205 Q206 | L198-D202 PolarHBondContact O-N 3.33Å; R199-D202 PolarHBondContact O-N 3.33Å; D202-R204 VanDerWaalsContact C-N 3.35Å; D202-R204 PolarHBondContact O-N 3.27Å; D202-K205 WeakPolarHBondContact O-CB 3.45Å; D202-K205 PolarHBondContact O-N 3.04Å; D202-K205 IonicContact OD1-NZ 3.59Å; D202-K205 PolarHBondContact OD1-NZ 2.91Å; D202-Q206 WeakPolarHBondContact O-CG 3.32Å; D202-Q206 PolarHBondContact O-N 2.98Å |
| 203 | S | 84.1 | Confident | 87.2 | Confident | 58 Ų | 58 | 101.8 Ų | 101.8 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 170.6 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | R199 K205 Q206 V207 | R199-S203 WeakPolarHBondContact O-CB 3.18Å; R199-S203 PolarHBondContact O-N 2.85Å; S203-K205 VanDerWaalsContact C-N 3.35Å; S203-K205 PolarHBondContact O-N 3.36Å; S203-Q206 PolarHBondContact O-N 3.15Å; S203-V207 WeakPolarHBondContact O-CG2 3.37Å; S203-V207 PolarHBondContact O-N 2.94Å |
| 204 | R | 86.9 | Confident | 87 | Confident | 171 Ų | 171 | 103.5 Ų | 103.5 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.3 | -39.2 | 174.5 | -82.1 | -175.2 | -90.3 | -159.9 | -5.2 | 113 | L200 K201 D202 V207 S208 | L200-R204 WeakPolarHBondContact O-CB 3.33Å; L200-R204 WeakPolarHBondContact O-CG 3.37Å; L200-R204 PolarHBondContact O-N 3.28Å; K201-R204 PolarHBondContact O-N 3.31Å; D202-R204 VanDerWaalsContact C-N 3.35Å; D202-R204 PolarHBondContact O-N 3.27Å; R204-V207 PolarHBondContact O-N 3.44Å; R204-S208 WeakPolarHBondContact O-CB 3.38Å; R204-S208 PolarHBondContact O-N 2.81Å |
| 205 | K | 89.4 | Confident | 86.8 | Confident | 110 Ų | 110 | 106.2 Ų | 106.2 | 48% | 0.478 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 173.7 | -69.7 | 173.8 | -165.1 | 157.7 | 0 | 111.4 | K201 D202 S203 S208 Q209 | K201-K205 WeakPolarHBondContact O-CG 3.43Å; K201-K205 PolarHBondContact O-N 3.46Å; D202-K205 WeakPolarHBondContact O-CB 3.45Å; D202-K205 PolarHBondContact O-N 3.04Å; D202-K205 IonicContact OD1-NZ 3.59Å; D202-K205 PolarHBondContact OD1-NZ 2.91Å; S203-K205 VanDerWaalsContact C-N 3.35Å; S203-K205 PolarHBondContact O-N 3.36Å; K205-S208 PolarHBondContact O-N 3.37Å; K205-Q209 WeakPolarHBondContact O-CG 3.45Å; K205-Q209 PolarHBondContact O-N 3.49Å |
| 206 | Q | 83.7 | Confident | 86.8 | Confident | 127 Ų | 127 | 106.5 Ų | 106.5 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.1 | -42.7 | 177.3 | -73.2 | 179.9 | -8.9 | 0 | 0 | 111.7 | D202 S203 S208 Q209 M210 | D202-Q206 WeakPolarHBondContact O-CG 3.32Å; D202-Q206 PolarHBondContact O-N 2.98Å; S203-Q206 PolarHBondContact O-N 3.15Å; Q206-S208 PolarHBondContact O-N 2.97Å; Q206-Q209 PolarHBondContact O-N 2.88Å; Q206-M210 WeakPolarHBondContact O-CB 3.45Å; Q206-M210 PolarHBondContact O-N 3.3Å |
| 207 | V | 87.2 | Confident | 86.6 | Confident | 89 Ų | 89 | 108.9 Ų | 108.9 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 174.9 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | S203 R204 Q209 M210 A211 | S203-V207 WeakPolarHBondContact O-CG2 3.37Å; S203-V207 PolarHBondContact O-N 2.94Å; R204-V207 PolarHBondContact O-N 3.44Å; V207-Q209 PolarHBondContact O-N 3.38Å; V207-M210 WeakPolarHBondContact O-CB 3.47Å; V207-M210 PolarHBondContact O-N 2.91Å; V207-A211 PolarHBondContact O-N 2.91Å |
| 208 | S | 83.8 | Confident | 86.4 | Confident | 60 Ų | 60 | 108.6 Ų | 108.6 | 42% | 0.42 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -39.2 | 174.9 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | R204 K205 Q206 A211 K212 | R204-S208 WeakPolarHBondContact O-CB 3.38Å; R204-S208 PolarHBondContact O-N 2.81Å; K205-S208 PolarHBondContact O-N 3.37Å; Q206-S208 PolarHBondContact O-N 2.97Å; S208-A211 PolarHBondContact O-N 3.1Å; S208-K212 WeakPolarHBondContact O-CG 3.46Å; S208-K212 PolarHBondContact O-N 3.47Å; S208-K212 VanDerWaalsContact O-N 3.11Å |
| 209 | Q | 84.8 | Confident | 86.2 | Confident | 122 Ų | 122 | 107.6 Ų | 107.6 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 173.3 | -73.9 | 174.3 | -15.1 | 0 | 0 | 111.7 | K205 Q206 V207 K212 M213 | K205-Q209 WeakPolarHBondContact O-CG 3.45Å; K205-Q209 PolarHBondContact O-N 3.49Å; Q206-Q209 PolarHBondContact O-N 2.88Å; V207-Q209 PolarHBondContact O-N 3.38Å; Q209-K212 WeakPolarHBondContact O-CB 3.42Å; Q209-K212 PolarHBondContact O-N 3.27Å; Q209-M213 WeakPolarHBondContact O-CG 3.48Å; Q209-M213 PolarHBondContact O-N 3.38Å |
| 210 | M | 89.3 | Confident | 85.7 | Confident | 108 Ų | 108 | 103.8 Ų | 103.8 | 53% | 0.532 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.9 | -167.7 | -179.3 | -59.6 | 0 | 0 | 112 | Q206 V207 K212 M213 L214 | Q206-M210 WeakPolarHBondContact O-CB 3.45Å; Q206-M210 PolarHBondContact O-N 3.3Å; V207-M210 WeakPolarHBondContact O-CB 3.47Å; V207-M210 PolarHBondContact O-N 2.91Å; M210-K212 VanDerWaalsContact C-N 3.32Å; M210-K212 PolarHBondContact O-N 3.46Å; M210-M213 PolarHBondContact O-N 2.85Å; M210-L214 WeakPolarHBondContact O-CG 3.2Å; M210-L214 PolarHBondContact O-N 3.32Å |
| 211 | A | 84.1 | Confident | 85.1 | Confident | 57 Ų | 57 | 105.7 Ų | 105.7 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V207 S208 L214 H215 | V207-A211 PolarHBondContact O-N 2.91Å; S208-A211 PolarHBondContact O-N 3.1Å; A211-L214 PolarHBondContact O-N 3.28Å; A211-H215 PolarHBondContact O-N 3.13Å |
| 212 | K | 88.4 | Confident | 84.6 | Confident | 136 Ų | 136 | 104.4 Ų | 104.4 | 59% | 0.591 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -40 | 173.8 | -70.1 | 172.4 | -176.1 | -179.3 | 0 | 112.2 | S208 Q209 M210 H215 L216 | S208-K212 WeakPolarHBondContact O-CG 3.46Å; S208-K212 PolarHBondContact O-N 3.47Å; S208-K212 VanDerWaalsContact O-N 3.11Å; Q209-K212 WeakPolarHBondContact O-CB 3.42Å; Q209-K212 PolarHBondContact O-N 3.27Å; M210-K212 VanDerWaalsContact C-N 3.32Å; M210-K212 PolarHBondContact O-N 3.46Å; K212-H215 PolarHBondContact O-N 3.49Å; K212-L216 WeakPolarHBondContact O-CG 3.32Å; K212-L216 PolarHBondContact O-N 3.35Å |
| 213 | M | 82.3 | Confident | 84.1 | Confident | 114 Ų | 114 | 104.1 Ų | 104.1 | 56% | 0.562 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.7 | -41.6 | 175.1 | -70 | -165.1 | -48.2 | 0 | 0 | 111.9 | Q209 M210 H215 L216 L217 | Q209-M213 WeakPolarHBondContact O-CG 3.48Å; Q209-M213 PolarHBondContact O-N 3.38Å; M210-M213 PolarHBondContact O-N 2.85Å; M213-H215 VanDerWaalsContact C-N 3.34Å; M213-H215 PolarHBondContact O-N 3.06Å; M213-L216 PolarHBondContact O-N 3.05Å; M213-L217 WeakPolarHBondContact O-CB 3.42Å; M213-L217 WeakPolarHBondContact O-CG 3.31Å; M213-L217 PolarHBondContact O-N 3.49Å |
| 214 | L | 84.6 | Confident | 83.6 | Confident | 110 Ų | 110 | 108.5 Ų | 108.5 | 58% | 0.576 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.4 | -43.4 | 175.8 | -73.1 | 171.2 | 0 | 0 | 0 | 111.5 | M210 A211 L216 L217 E218 | M210-L214 WeakPolarHBondContact O-CG 3.2Å; M210-L214 PolarHBondContact O-N 3.32Å; A211-L214 PolarHBondContact O-N 3.28Å; L214-L216 PolarHBondContact O-N 3.08Å; L214-L217 PolarHBondContact O-N 2.94Å; L214-E218 PolarHBondContact O-N 3.36Å |
| 215 | H | 86.5 | Confident | 82.3 | Confident | 110 Ų | 110 | 105.9 Ų | 105.9 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 175.5 | -172.7 | 53 | 0 | 0 | 0 | 112.4 | A211 K212 M213 L217 E218 E219 | A211-H215 PolarHBondContact O-N 3.13Å; K212-H215 PolarHBondContact O-N 3.49Å; M213-H215 VanDerWaalsContact C-N 3.34Å; M213-H215 PolarHBondContact O-N 3.06Å; H215-L217 PolarHBondContact O-N 2.82Å; H215-E218 PolarHBondContact O-N 2.92Å; H215-E219 WeakPolarHBondContact O-CG 3.29Å; H215-E219 PolarHBondContact O-N 3.37Å |
| 216 | L | 86.4 | Confident | 81.3 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.8 | -37.3 | 175.1 | -76 | 166.9 | 0 | 0 | 0 | 112.7 | K212 M213 L214 E219 L220 | K212-L216 WeakPolarHBondContact O-CG 3.32Å; K212-L216 PolarHBondContact O-N 3.35Å; M213-L216 PolarHBondContact O-N 3.05Å; L214-L216 PolarHBondContact O-N 3.08Å; L216-E219 PolarHBondContact O-N 2.88Å; L216-L220 WeakPolarHBondContact O-CB 3.36Å; L216-L220 VanDerWaalsContact O-CG 3.31Å; L216-L220 WeakPolarHBondContact O-CG 3.48Å; L216-L220 PolarHBondContact O-N 3.44Å |
| 217 | L | 83.5 | Confident | 79.9 | Confident | 104 Ų | 104 | 104.2 Ų | 104.2 | 55% | 0.545 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 175.1 | -75.4 | 170.7 | 0 | 0 | 0 | 111.6 | M213 L214 H215 L220 Q221 | M213-L217 WeakPolarHBondContact O-CB 3.42Å; M213-L217 WeakPolarHBondContact O-CG 3.31Å; M213-L217 PolarHBondContact O-N 3.49Å; L214-L217 PolarHBondContact O-N 2.94Å; H215-L217 PolarHBondContact O-N 2.82Å; L217-L220 PolarHBondContact O-N 2.87Å; L217-Q221 PolarHBondContact O-N 3.22Å |
| 218 | E | 87.1 | Confident | 78.3 | Confident | 100 Ų | 100 | 104.3 Ų | 104.3 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 176 | -162.9 | -174.3 | 167.7 | 0 | 0 | 111.5 | L214 H215 Q221 K222 | L214-E218 PolarHBondContact O-N 3.36Å; H215-E218 PolarHBondContact O-N 2.92Å; E218-Q221 WeakPolarHBondContact O-CB 3.12Å; E218-Q221 PolarHBondContact O-N 2.88Å; E218-K222 WeakPolarHBondContact O-CG 3.34Å; E218-K222 PolarHBondContact O-N 3.4Å; E218-K222 IonicContact OE1-NZ 3.9Å |
| 219 | E | 84.8 | Confident | 76.7 | Confident | 77 Ų | 77 | 111.2 Ų | 111.2 | 36% | 0.36 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 174.7 | -71.6 | -62 | 116.2 | 0 | 0 | 112.3 | H215 L216 Q221 K222 V223 | H215-E219 WeakPolarHBondContact O-CG 3.29Å; H215-E219 PolarHBondContact O-N 3.37Å; L216-E219 PolarHBondContact O-N 2.88Å; E219-Q221 VanDerWaalsContact C-N 3.29Å; E219-Q221 PolarHBondContact O-N 2.82Å; E219-K222 PolarHBondContact O-N 2.83Å; E219-K222 WeakPolarHBondContact OE1-CD 3.46Å; E219-K222 IonicContact OE1-NZ 3.93Å; E219-K222 PolarHBondContact OE1-NZ 3.24Å; E219-V223 WeakPolarHBondContact O-CG2 3.38Å; E219-V223 PolarHBondContact O-N 2.86Å |
| 220 | L | 78.1 | Confident | 75.2 | Confident | 116 Ų | 116 | 112.6 Ų | 112.6 | 61% | 0.607 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.8 | -36.4 | 173.3 | -78.7 | 170.2 | 0 | 0 | 0 | 112 | L216 L217 K224 | L216-L220 WeakPolarHBondContact O-CB 3.36Å; L216-L220 VanDerWaalsContact O-CG 3.31Å; L216-L220 WeakPolarHBondContact O-CG 3.48Å; L216-L220 PolarHBondContact O-N 3.44Å; L217-L220 PolarHBondContact O-N 2.87Å; L220-K224 WeakPolarHBondContact O-CB 3.41Å; L220-K224 PolarHBondContact O-N 3.16Å |
| 221 | Q | 77.3 | Confident | 73.6 | Confident | 133 Ų | 133 | 111.9 Ų | 111.9 | 62% | 0.621 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -43.8 | 172.7 | -110 | 176.5 | -26.4 | 0 | 0 | 111.7 | L217 E218 E219 V223 K224 M225 | L217-Q221 PolarHBondContact O-N 3.22Å; E218-Q221 WeakPolarHBondContact O-CB 3.12Å; E218-Q221 PolarHBondContact O-N 2.88Å; E219-Q221 VanDerWaalsContact C-N 3.29Å; E219-Q221 PolarHBondContact O-N 2.82Å; Q221-V223 PolarHBondContact O-N 2.72Å; Q221-K224 WeakPolarHBondContact O-CB 3.3Å; Q221-K224 PolarHBondContact O-N 3.45Å; Q221-M225 WeakPolarHBondContact O-CG 3.47Å; Q221-M225 PolarHBondContact O-N 2.97Å |
| 222 | K | 78.4 | Confident | 72.3 | Confident | 104 Ų | 104 | 112.5 Ų | 112.5 | 45% | 0.452 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 175.5 | -70 | 173.8 | -166.4 | 162.4 | 0 | 112.1 | E218 E219 M225 S226 | E218-K222 WeakPolarHBondContact O-CG 3.34Å; E218-K222 PolarHBondContact O-N 3.4Å; E218-K222 IonicContact OE1-NZ 3.9Å; E219-K222 PolarHBondContact O-N 2.83Å; E219-K222 WeakPolarHBondContact OE1-CD 3.46Å; E219-K222 IonicContact OE1-NZ 3.93Å; E219-K222 PolarHBondContact OE1-NZ 3.24Å; K222-M225 PolarHBondContact O-N 2.98Å; K222-S226 PolarHBondContact O-N 3.32Å |
| 223 | V | 75.2 | Confident | 70.7 | Confident | 70 Ų | 70 | 112.7 Ų | 112.7 | 42% | 0.424 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.5 | -37.2 | 176 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | E219 Q221 S226 K227 | E219-V223 WeakPolarHBondContact O-CG2 3.38Å; E219-V223 PolarHBondContact O-N 2.86Å; Q221-V223 PolarHBondContact O-N 2.72Å; V223-S226 PolarHBondContact O-N 3.13Å; V223-S226 PolarHBondContact O-OG 3.4Å; V223-K227 PolarHBondContact O-N 3.39Å; V223-K227 VanDerWaalsContact O-N 3.08Å |
| 224 | K | 72.8 | Confident | 69.6 | Low | 151 Ų | 151 | 111.2 Ų | 111.2 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 173.6 | -174.7 | -179.6 | 178.6 | -177.2 | 0 | 110.8 | L220 Q221 K227 V228 | L220-K224 WeakPolarHBondContact O-CB 3.41Å; L220-K224 PolarHBondContact O-N 3.16Å; Q221-K224 WeakPolarHBondContact O-CB 3.3Å; Q221-K224 PolarHBondContact O-N 3.45Å; K224-K227 PolarHBondContact O-N 2.81Å; K224-V228 WeakPolarHBondContact O-CG2 3.45Å; K224-V228 PolarHBondContact O-N 3.34Å |
| 225 | M | 60.9 | Low | 68.4 | Low | 116 Ų | 116 | 111.1 Ų | 111.1 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.1 | -38.5 | 176.5 | -62.9 | -56.9 | -80.1 | 0 | 0 | 111.7 | Q221 K222 K227 V228 | Q221-M225 WeakPolarHBondContact O-CG 3.47Å; Q221-M225 PolarHBondContact O-N 2.97Å; K222-M225 PolarHBondContact O-N 2.98Å; M225-K227 VanDerWaalsContact C-N 3.32Å; M225-K227 PolarHBondContact O-N 2.9Å; M225-V228 PolarHBondContact O-N 2.93Å |
| 226 | S | 68 | Low | 67.4 | Low | 62 Ų | 62 | 113.1 Ų | 113.1 | 43% | 0.434 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.5 | -26.8 | 179.2 | 87.1 | 0 | 0 | 0 | 0 | 113.7 | K222 V223 | K222-S226 PolarHBondContact O-N 3.32Å; V223-S226 PolarHBondContact O-N 3.13Å; V223-S226 PolarHBondContact O-OG 3.4Å |
| 227 | K | 54.8 | Low | 66.6 | Low | 139 Ų | 139 | 114.3 Ų | 114.3 | 60% | 0.604 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -73.2 | -35.9 | 173.7 | -79.2 | -176.1 | 176.6 | -176.8 | 0 | 112.2 | V223 K224 M225 W229 K230 L231 | V223-K227 PolarHBondContact O-N 3.39Å; V223-K227 VanDerWaalsContact O-N 3.08Å; K224-K227 PolarHBondContact O-N 2.81Å; M225-K227 VanDerWaalsContact C-N 3.32Å; M225-K227 PolarHBondContact O-N 2.9Å; K227-W229 VanDerWaalsContact C-N 3.25Å; K227-W229 PolarHBondContact O-N 3.39Å; K227-K230 PolarHBondContact O-N 3.08Å; K227-L231 WeakPolarHBondContact O-CD1 3.36Å |
| 228 | V | 53.6 | Low | 65.7 | Low | 92 Ų | 92 | 112 Ų | 112 | 56% | 0.558 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.2 | -31.6 | 178.3 | 173.1 | 0 | 0 | 0 | 0 | 112 | K224 M225 | K224-V228 WeakPolarHBondContact O-CG2 3.45Å; K224-V228 PolarHBondContact O-N 3.34Å; M225-V228 PolarHBondContact O-N 2.93Å |
| 229 | W | 50 | Low | 65 | Low | 205 Ų | 205 | 113.8 Ų | 113.8 | 78% | 0.777 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -83.4 | -17.1 | 179.1 | -70.7 | 104.7 | 0 | 0 | 0 | 115.3 | K227 P232 | K227-W229 VanDerWaalsContact C-N 3.25Å; K227-W229 PolarHBondContact O-N 3.39Å; W229-P232 WeakPolarHBondContact O-CD 3.35Å |
| 230 | K | 53.7 | Low | 64.4 | Low | 151 Ų | 151 | 112.6 Ų | 112.6 | 66% | 0.657 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -96.1 | -13 | -178.5 | -71.4 | -167.1 | 176.3 | -165.9 | 0 | 115 | K227 P232 T234 | K227-K230 PolarHBondContact O-N 3.08Å; K230-P232 VanDerWaalsContact C-CD 3.49Å; K230-T234 PolarHBondContact O-OG1 2.98Å |
| 231 | L | 54.8 | Low | 64.1 | Low | 93 Ų | 93 | 112.4 Ų | 112.4 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.3 | -36.6 | 178.3 | -103.5 | 127.7 | 0 | 0 | 0 | 114.9 | K227 E233 T234 E235 | K227-L231 WeakPolarHBondContact O-CD1 3.36Å; L231-E233 PolarHBondContact O-N 2.76Å; L231-T234 PolarHBondContact O-N 2.95Å; L231-T234 PolarHBondContact O-OG1 3.05Å; L231-T234 VanDerWaalsContact O-OG1 3.1Å; L231-E235 PolarHBondContact O-N 2.86Å; L231-E235 VanDerWaalsContact O-N 3.09Å |
| 232 | P | 56 | Low | 63.8 | Low | 70 Ų | 70 | 112.3 Ų | 112.3 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.2 | -40.8 | -176.2 | -19.6 | 30.7 | 0 | 0 | 0 | 113.6 | W229 K230 E235 E236 | W229-P232 WeakPolarHBondContact O-CD 3.35Å; K230-P232 VanDerWaalsContact C-CD 3.49Å; P232-E235 PolarHBondContact O-N 3.36Å; P232-E236 PolarHBondContact O-N 2.94Å; P232-E236 VanDerWaalsContact O-N 3.07Å |
| 233 | E | 55.5 | Low | 63.8 | Low | 140 Ų | 140 | 116.3 Ų | 116.3 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.9 | -38.9 | -178 | -70.7 | 176.9 | 162.2 | 0 | 0 | 111.7 | L231 E236 E237 | L231-E233 PolarHBondContact O-N 2.76Å; E233-E236 PolarHBondContact O-N 3.01Å; E233-E237 PolarHBondContact O-N 2.91Å; E233-E237 VanDerWaalsContact O-N 3.08Å |
| 234 | T | 59.2 | Low | 63.9 | Low | 82 Ų | 82 | 118.9 Ų | 118.9 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.6 | -28.6 | 178.1 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | K230 L231 A238 | K230-T234 PolarHBondContact O-OG1 2.98Å; L231-T234 PolarHBondContact O-N 2.95Å; L231-T234 PolarHBondContact O-OG1 3.05Å; L231-T234 VanDerWaalsContact O-OG1 3.1Å; T234-A238 WeakPolarHBondContact O-CB 3.46Å; T234-A238 PolarHBondContact O-N 3.25Å; T234-A238 VanDerWaalsContact O-N 3.12Å |
| 235 | E | 59.1 | Low | 63.9 | Low | 109 Ų | 109 | 116.6 Ų | 116.6 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72 | -42.3 | 172.5 | -82.9 | -175.5 | 157.7 | 0 | 0 | 111.1 | L231 P232 E237 A238 F239 | L231-E235 PolarHBondContact O-N 2.86Å; L231-E235 VanDerWaalsContact O-N 3.09Å; P232-E235 PolarHBondContact O-N 3.36Å; E235-E237 PolarHBondContact O-N 3.46Å; E235-A238 PolarHBondContact O-N 3.43Å; E235-F239 WeakPolarHBondContact O-CD2 3.44Å; E235-F239 PolarHBondContact O-N 3.25Å |
| 236 | E | 66.6 | Low | 64.5 | Low | 151 Ų | 151 | 116.9 Ų | 116.9 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.4 | -41.3 | 175.1 | -84 | -172.8 | 157.3 | 0 | 0 | 112.8 | P232 E233 F239 A240 | P232-E236 PolarHBondContact O-N 2.94Å; P232-E236 VanDerWaalsContact O-N 3.07Å; E233-E236 PolarHBondContact O-N 3.01Å; E236-F239 PolarHBondContact O-N 3.14Å; E236-A240 WeakPolarHBondContact O-CB 3.49Å; E236-A240 PolarHBondContact O-N 3.23Å |
| 237 | E | 69.9 | Low | 64.9 | Low | 135 Ų | 135 | 117 Ų | 117 | 63% | 0.631 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.4 | -39.9 | 174.3 | -78.8 | -176.3 | 162.6 | 0 | 0 | 112.5 | E233 E235 A240 L241 | E233-E237 PolarHBondContact O-N 2.91Å; E233-E237 VanDerWaalsContact O-N 3.08Å; E235-E237 PolarHBondContact O-N 3.46Å; E237-A240 PolarHBondContact O-N 3.49Å; E237-L241 WeakPolarHBondContact O-CG 3.37Å; E237-L241 PolarHBondContact O-N 3.48Å |
| 238 | A | 63.8 | Low | 65.6 | Low | 55 Ų | 55 | 115.9 Ų | 115.9 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.9 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | T234 E235 L241 Q242 | T234-A238 WeakPolarHBondContact O-CB 3.46Å; T234-A238 PolarHBondContact O-N 3.25Å; T234-A238 VanDerWaalsContact O-N 3.12Å; E235-A238 PolarHBondContact O-N 3.43Å; A238-L241 PolarHBondContact O-N 3.35Å; A238-Q242 WeakPolarHBondContact O-CB 3.39Å; A238-Q242 PolarHBondContact O-N 2.94Å |
| 239 | F | 71.5 | Confident | 66.3 | Low | 138 Ų | 138 | 113.3 Ų | 113.3 | 61% | 0.605 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.6 | -34.7 | 174.3 | -81.2 | -65.7 | 0 | 0 | 0 | 112.6 | E235 E236 R243 | E235-F239 WeakPolarHBondContact O-CD2 3.44Å; E235-F239 PolarHBondContact O-N 3.25Å; E236-F239 PolarHBondContact O-N 3.14Å; F239-R243 WeakPolarHBondContact O-CB 3.42Å; F239-R243 PolarHBondContact O-N 3.48Å; F239-R243 VanDerWaalsContact O-N 3.09Å |
| 240 | A | 73.8 | Confident | 67.4 | Low | 53 Ų | 53 | 109.7 Ų | 109.7 | 44% | 0.438 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.7 | -47.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E236 E237 Q242 R243 E244 | E236-A240 WeakPolarHBondContact O-CB 3.49Å; E236-A240 PolarHBondContact O-N 3.23Å; E237-A240 PolarHBondContact O-N 3.49Å; A240-Q242 PolarHBondContact O-N 2.84Å; A240-R243 PolarHBondContact O-N 2.87Å; A240-E244 PolarHBondContact O-N 3.47Å |
| 241 | L | 70.9 | Confident | 68.2 | Low | 112 Ų | 112 | 105.7 Ų | 105.7 | 59% | 0.586 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 176.7 | -72.1 | 170 | 0 | 0 | 0 | 112.4 | E237 A238 R243 E244 V245 | E237-L241 WeakPolarHBondContact O-CG 3.37Å; E237-L241 PolarHBondContact O-N 3.48Å; A238-L241 PolarHBondContact O-N 3.35Å; L241-R243 VanDerWaalsContact C-N 3.29Å; L241-R243 PolarHBondContact O-N 3.41Å; L241-E244 PolarHBondContact O-N 2.76Å; L241-V245 WeakPolarHBondContact O-CG2 3.45Å; L241-V245 PolarHBondContact O-N 3.3Å |
| 242 | Q | 70.8 | Confident | 69 | Low | 130 Ų | 130 | 105.1 Ų | 105.1 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.1 | -42 | 175.3 | -169.8 | 101.4 | 3 | 0 | 0 | 111.4 | A238 A240 V245 E246 | A238-Q242 WeakPolarHBondContact O-CB 3.39Å; A238-Q242 PolarHBondContact O-N 2.94Å; A240-Q242 PolarHBondContact O-N 2.84Å; Q242-V245 PolarHBondContact O-N 3.34Å; Q242-E246 PolarHBondContact O-N 2.84Å |
| 243 | R | 80.1 | Confident | 69.9 | Low | 188 Ų | 188 | 109.4 Ų | 109.4 | 71% | 0.709 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.8 | -35.6 | 179.4 | -155.6 | -177.9 | -77.4 | 164.2 | -4.1 | 111.7 | F239 A240 L241 S247 | F239-R243 WeakPolarHBondContact O-CB 3.42Å; F239-R243 PolarHBondContact O-N 3.48Å; F239-R243 VanDerWaalsContact O-N 3.09Å; A240-R243 PolarHBondContact O-N 2.87Å; L241-R243 VanDerWaalsContact C-N 3.29Å; L241-R243 PolarHBondContact O-N 3.41Å; R243-S247 PolarHBondContact O-N 3.28Å |
| 244 | E | 76.3 | Confident | 70.5 | Confident | 125 Ų | 125 | 110.2 Ų | 110.2 | 58% | 0.584 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.6 | -44.5 | 173.1 | -71.3 | -149.8 | 156.6 | 0 | 0 | 112.3 | A240 L241 E246 S247 L248 | A240-E244 PolarHBondContact O-N 3.47Å; L241-E244 PolarHBondContact O-N 2.76Å; E244-E246 VanDerWaalsContact C-N 3.32Å; E244-E246 PolarHBondContact O-N 2.81Å; E244-S247 WeakPolarHBondContact O-CA 3.42Å; E244-S247 WeakPolarHBondContact O-CB 3.49Å; E244-S247 PolarHBondContact O-N 3.2Å; E244-S247 VanDerWaalsContact O-N 3.08Å; E244-S247 PolarHBondContact O-OG 3.1Å; E244-L248 PolarHBondContact O-N 3.23Å |
| 245 | V | 71.9 | Confident | 70.9 | Confident | 102 Ų | 102 | 109.9 Ų | 109.9 | 62% | 0.618 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61 | -40.7 | 177.3 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | L241 Q242 S247 L248 A249 | L241-V245 WeakPolarHBondContact O-CG2 3.45Å; L241-V245 PolarHBondContact O-N 3.3Å; Q242-V245 PolarHBondContact O-N 3.34Å; V245-S247 VanDerWaalsContact C-N 3.35Å; V245-L248 PolarHBondContact O-N 3.21Å; V245-A249 WeakPolarHBondContact O-CB 3.34Å; V245-A249 PolarHBondContact O-N 2.84Å |
| 246 | E | 74 | Confident | 70.7 | Confident | 123 Ų | 123 | 112.7 Ų | 112.7 | 58% | 0.575 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.7 | -36.2 | 173.8 | -93.1 | -178.6 | 156 | 0 | 0 | 113.1 | Q242 E244 K250 | Q242-E246 PolarHBondContact O-N 2.84Å; E244-E246 VanDerWaalsContact C-N 3.32Å; E244-E246 PolarHBondContact O-N 2.81Å; E246-K250 PolarHBondContact O-N 3.11Å |
| 247 | S | 76.3 | Confident | 70.4 | Confident | 63 Ų | 63 | 110.7 Ų | 110.7 | 44% | 0.441 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 174.6 | 90.6 | 0 | 0 | 0 | 0 | 111.4 | R243 E244 V245 K250 C251 | R243-S247 PolarHBondContact O-N 3.28Å; E244-S247 WeakPolarHBondContact O-CA 3.42Å; E244-S247 WeakPolarHBondContact O-CB 3.49Å; E244-S247 PolarHBondContact O-N 3.2Å; E244-S247 VanDerWaalsContact O-N 3.08Å; E244-S247 PolarHBondContact O-OG 3.1Å; V245-S247 VanDerWaalsContact C-N 3.35Å; S247-K250 PolarHBondContact O-N 3.15Å; S247-C251 PolarHBondContact O-N 3.42Å |
| 248 | L | 70.4 | Confident | 70.2 | Confident | 116 Ų | 116 | 109.2 Ų | 109.2 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.7 | -43.9 | 177 | -123.1 | 98.8 | 0 | 0 | 0 | 110.4 | E244 V245 K250 C251 V252 | E244-L248 PolarHBondContact O-N 3.23Å; V245-L248 PolarHBondContact O-N 3.21Å; L248-K250 VanDerWaalsContact C-N 3.33Å; L248-K250 PolarHBondContact O-N 2.87Å; L248-C251 CarbonylContact O-C 3.58Å; L248-C251 WeakPolarHBondContact O-CA 3.13Å; L248-C251 WeakPolarHBondContact O-CB 3.42Å; L248-C251 PolarHBondContact O-N 3.27Å; L248-V252 WeakPolarHBondContact O-CG2 3.43Å; L248-V252 PolarHBondContact O-N 3.07Å |
| 249 | A | 67 | Low | 69.7 | Low | 39 Ų | 39 | 111.8 Ų | 111.8 | 32% | 0.322 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V245 R253 | V245-A249 WeakPolarHBondContact O-CB 3.34Å; V245-A249 PolarHBondContact O-N 2.84Å; A249-R253 WeakPolarHBondContact O-CB 3.2Å; A249-R253 WeakPolarHBondContact O-CG 3.2Å; A249-R253 PolarHBondContact O-N 3.11Å; A249-R253 PolarHBondContact O-NE 3Å |
| 250 | K | 74 | Confident | 68.5 | Low | 129 Ų | 129 | 114.3 Ų | 114.3 | 56% | 0.561 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.2 | -36.1 | 170.3 | -85.2 | -180 | 178 | 172.2 | 0 | 112.4 | E246 S247 L248 R254 | E246-K250 PolarHBondContact O-N 3.11Å; S247-K250 PolarHBondContact O-N 3.15Å; L248-K250 VanDerWaalsContact C-N 3.33Å; L248-K250 PolarHBondContact O-N 2.87Å; K250-R254 WeakPolarHBondContact O-CG 3.27Å; K250-R254 PolarHBondContact O-N 3.18Å; K250-R254 VanDerWaalsContact O-N 3.11Å; K250-R254 PolarHBondContact O-NE 3.22Å |
| 251 | C | 71.5 | Confident | 67.4 | Low | 66 Ų | 66 | 118 Ų | 118 | 45% | 0.446 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.3 | -48 | 175.5 | -160 | 0 | 0 | 0 | 0 | 111.1 | S247 L248 R253 R254 V255 | S247-C251 PolarHBondContact O-N 3.42Å; L248-C251 CarbonylContact O-C 3.58Å; L248-C251 WeakPolarHBondContact O-CA 3.13Å; L248-C251 WeakPolarHBondContact O-CB 3.42Å; L248-C251 PolarHBondContact O-N 3.27Å; C251-R253 PolarHBondContact O-N 2.96Å; C251-R254 WeakPolarHBondContact O-CB 3.4Å; C251-R254 PolarHBondContact O-N 2.9Å; C251-R254 VanDerWaalsContact O-N 3.12Å; C251-V255 WeakPolarHBondContact O-CG2 3.44Å; C251-V255 PolarHBondContact O-N 2.84Å |
| 252 | V | 71.1 | Confident | 66.3 | Low | 82 Ų | 82 | 121.2 Ų | 121.2 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.6 | -43.1 | 176.9 | 173.4 | 0 | 0 | 0 | 0 | 111.2 | L248 R254 V255 Y256 | L248-V252 WeakPolarHBondContact O-CG2 3.43Å; L248-V252 PolarHBondContact O-N 3.07Å; V252-R254 VanDerWaalsContact C-N 3.34Å; V252-R254 PolarHBondContact O-N 3.38Å; V252-V255 PolarHBondContact O-N 3.42Å; V252-Y256 WeakPolarHBondContact O-CB 3.39Å; V252-Y256 PolarHBondContact O-N 3.26Å |
| 253 | R | 74.1 | Confident | 65.2 | Low | 159 Ų | 159 | 122.8 Ų | 122.8 | 60% | 0.6 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.8 | -39.7 | 174.2 | -81.4 | -177.1 | -74.4 | -129.2 | -0.9 | 113 | A249 C251 Y256 H257 | A249-R253 WeakPolarHBondContact O-CB 3.2Å; A249-R253 WeakPolarHBondContact O-CG 3.2Å; A249-R253 PolarHBondContact O-N 3.11Å; A249-R253 PolarHBondContact O-NE 3Å; C251-R253 PolarHBondContact O-N 2.96Å; R253-Y256 PolarHBondContact O-N 3.48Å; R253-H257 WeakPolarHBondContact O-CB 3.34Å; R253-H257 PolarHBondContact O-N 2.93Å |
| 254 | R | 69.4 | Low | 63.2 | Low | 158 Ų | 158 | 123 Ų | 123 | 60% | 0.596 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.3 | -42 | 174.9 | -79.2 | -176.9 | -76.9 | -148.5 | 2.1 | 112.1 | K250 C251 V252 Y256 H257 I258 | K250-R254 WeakPolarHBondContact O-CG 3.27Å; K250-R254 PolarHBondContact O-N 3.18Å; K250-R254 VanDerWaalsContact O-N 3.11Å; K250-R254 PolarHBondContact O-NE 3.22Å; C251-R254 WeakPolarHBondContact O-CB 3.4Å; C251-R254 PolarHBondContact O-N 2.9Å; C251-R254 VanDerWaalsContact O-N 3.12Å; V252-R254 VanDerWaalsContact C-N 3.34Å; V252-R254 PolarHBondContact O-N 3.38Å; R254-Y256 VanDerWaalsContact C-N 3.35Å; R254-H257 PolarHBondContact O-N 3.33Å; R254-I258 WeakPolarHBondContact O-CD1 3.39Å; R254-I258 VanDerWaalsContact O-CG1 3.23Å; R254-I258 WeakPolarHBondContact O-CG1 3.32Å; R254-I258 PolarHBondContact O-N 2.99Å |
| 255 | V | 66.9 | Low | 61.1 | Low | 74 Ų | 74 | 120 Ų | 120 | 45% | 0.448 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.3 | -42 | 175.9 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | C251 V252 H257 I258 L259 | C251-V255 WeakPolarHBondContact O-CG2 3.44Å; C251-V255 PolarHBondContact O-N 2.84Å; V252-V255 PolarHBondContact O-N 3.42Å; V255-H257 PolarHBondContact O-N 3.02Å; V255-I258 PolarHBondContact O-N 3.2Å; V255-L259 HydrophobicContact CG1-CD1 3.83Å; V255-L259 HydrophobicContact CG1-CG 4.38Å; V255-L259 WeakPolarHBondContact O-CB 3.32Å; V255-L259 VanDerWaalsContact O-CG 3.23Å; V255-L259 WeakPolarHBondContact O-CG 3.48Å; V255-L259 PolarHBondContact O-N 2.97Å |
| 256 | Y | 54.5 | Low | 59.2 | Low | 168 Ų | 168 | 122.4 Ų | 122.4 | 66% | 0.659 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.1 | -41.6 | 174.6 | -122 | -93.1 | 0 | 0 | 0 | 111.9 | V252 R253 R254 L259 Y260 | V252-Y256 WeakPolarHBondContact O-CB 3.39Å; V252-Y256 PolarHBondContact O-N 3.26Å; R253-Y256 PolarHBondContact O-N 3.48Å; R254-Y256 VanDerWaalsContact C-N 3.35Å; Y256-L259 PolarHBondContact O-N 2.98Å; Y256-Y260 VanDerWaalsContact O-CB 3.32Å; Y256-Y260 WeakPolarHBondContact O-CB 3.29Å; Y256-Y260 PolarHBondContact O-N 3.35Å |
| 257 | H | 59.4 | Low | 57.1 | Low | 110 Ų | 110 | 125 Ų | 125 | 51% | 0.509 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.3 | -44.8 | 176.1 | -159.9 | -76.9 | 0 | 0 | 0 | 112.2 | R253 R254 V255 L259 Y260 E261 | R253-H257 WeakPolarHBondContact O-CB 3.34Å; R253-H257 PolarHBondContact O-N 2.93Å; R254-H257 PolarHBondContact O-N 3.33Å; V255-H257 PolarHBondContact O-N 3.02Å; H257-L259 VanDerWaalsContact C-N 3.31Å; H257-L259 PolarHBondContact O-N 2.93Å; H257-Y260 PolarHBondContact O-N 3.41Å; H257-E261 IonicContact CE1-OE1 3.3Å; H257-E261 PolarHBondContact CE1-OE1 3.43Å; H257-E261 IonicContact CE1-OE2 2.85Å; H257-E261 PolarHBondContact CE1-OE2 3.4Å; H257-E261 VanDerWaalsContact CE1-OE2 3.3Å; H257-E261 VanDerWaalsContact ND1-CD 3.27Å; H257-E261 IonicContact ND1-OE1 3.49Å; H257-E261 IonicContact ND1-OE2 3.65Å; H257-E261 PolarHBondContact ND1-OE2 3.45Å; H257-E261 PolarHBondContact O-N 3.29Å |
| 258 | I | 66.6 | Low | 54.9 | Low | 103 Ų | 103 | 126.9 Ų | 126.9 | 53% | 0.528 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.2 | -35.8 | 178.4 | -67.9 | 163.9 | 0 | 0 | 0 | 111.4 | R254 V255 | R254-I258 WeakPolarHBondContact O-CD1 3.39Å; R254-I258 VanDerWaalsContact O-CG1 3.23Å; R254-I258 WeakPolarHBondContact O-CG1 3.32Å; R254-I258 PolarHBondContact O-N 2.99Å; V255-I258 PolarHBondContact O-N 3.2Å |
| 259 | L | 52.8 | Low | 53 | Low | 110 Ų | 110 | 126.2 Ų | 126.2 | 58% | 0.576 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.9 | -32.6 | 177.3 | -69.5 | 172.3 | 0 | 0 | 0 | 112.1 | V255 Y256 H257 | V255-L259 HydrophobicContact CG1-CD1 3.83Å; V255-L259 HydrophobicContact CG1-CG 4.38Å; V255-L259 WeakPolarHBondContact O-CB 3.32Å; V255-L259 VanDerWaalsContact O-CG 3.23Å; V255-L259 WeakPolarHBondContact O-CG 3.48Å; V255-L259 PolarHBondContact O-N 2.97Å; Y256-L259 PolarHBondContact O-N 2.98Å; H257-L259 VanDerWaalsContact C-N 3.31Å; H257-L259 PolarHBondContact O-N 2.93Å |
| 260 | Y | 46.6 | Very low | 51.2 | Low | 190 Ų | 190 | 127.2 Ų | 127.2 | 75% | 0.745 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.6 | -35.7 | 178.9 | -145.8 | -95.9 | 0 | 0 | 0 | 112.4 | Y256 H257 K262 | Y256-Y260 VanDerWaalsContact O-CB 3.32Å; Y256-Y260 WeakPolarHBondContact O-CB 3.29Å; Y256-Y260 PolarHBondContact O-N 3.35Å; H257-Y260 PolarHBondContact O-N 3.41Å; Y260-K262 VanDerWaalsContact C-N 3.29Å; Y260-K262 PolarHBondContact O-N 2.8Å |
| 261 | E | 51 | Low | 49.1 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 61% | 0.612 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -12.2 | 175.3 | -77.8 | -178.4 | 140.9 | 0 | 0 | 114.1 | H257 | H257-E261 IonicContact CE1-OE1 3.3Å; H257-E261 PolarHBondContact CE1-OE1 3.43Å; H257-E261 IonicContact CE1-OE2 2.85Å; H257-E261 PolarHBondContact CE1-OE2 3.4Å; H257-E261 VanDerWaalsContact CE1-OE2 3.3Å; H257-E261 VanDerWaalsContact ND1-CD 3.27Å; H257-E261 IonicContact ND1-OE1 3.49Å; H257-E261 IonicContact ND1-OE2 3.65Å; H257-E261 PolarHBondContact ND1-OE2 3.45Å; H257-E261 PolarHBondContact O-N 3.29Å |
| 262 | K | 48.1 | Very low | 47.3 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 78% | 0.778 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -2.1 | -178.5 | -123.7 | 176 | -178.5 | 177.9 | 0 | 115.2 | Y260 | Y260-K262 VanDerWaalsContact C-N 3.29Å; Y260-K262 PolarHBondContact O-N 2.8Å |
| 263 | Q | 47.8 | Very low | 45.3 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 76% | 0.762 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -112.1 | -11.5 | -177.7 | -88 | -175.6 | 2.4 | 0 | 0 | 116.1 | ||
| 264 | F | 37.3 | Very low | 43.4 | Very low | 194 Ų | 194 | 134.4 Ų | 134.4 | 85% | 0.851 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -153.9 | 95.4 | 172.2 | -76.2 | -93.5 | 0 | 0 | 0 | 105.7 | ||
| 265 | G | 33.1 | Very low | 41.6 | Very low | 61 Ų | 61 | 136.5 Ų | 136.5 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | cis | 122.5 | 114.1 | 39.3 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 266 | D | 30.5 | Very low | 39.8 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | -162.1 | 109.3 | 158.6 | -96.6 | -25.6 | 0 | 0 | 0 | 111.8 | ||||
| 267 | N | 30.1 | Very low | 39 | Very low | 177 Ų | 177 | 143 Ų | 143 | 95% | 0.947 | 75% | 0.75 | S | S | * | * | trans | -108.5 | 94.9 | 137.9 | -95.1 | -14.1 | 0 | 0 | 0 | 105.9 | ||||
| 268 | S | 31.1 | Very low | 37.8 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -151.8 | 110.6 | 154.7 | -178 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 269 | A | 30.6 | Very low | 36.5 | Very low | 103 Ų | 103 | 147.1 Ų | 147.1 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -73.2 | 149 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 270 | G | 29.1 | Very low | 35.6 | Very low | 60 Ų | 60 | 151 Ų | 151 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | trans | 119.5 | 107.6 | 131.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 271 | N | 30.3 | Very low | 34.6 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | 72.6 | 118.5 | 140.4 | -60.9 | -24.4 | 0 | 0 | 0 | 115.3 | ||||
| 272 | K | 33.3 | Very low | 33.5 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | cis | 172.4 | 156.8 | 38.9 | -112.4 | 167.5 | -170.3 | -179.2 | 0 | 107.6 | ||||
| 273 | T | 27.9 | Very low | 32.4 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 70.6 | 91.2 | 152.1 | 50.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 274 | V | 34.2 | Very low | 31.4 | Very low | 136 Ų | 136 | 146 Ų | 146 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | trans | -31.3 | 130.6 | 142.9 | 174.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 275 | K | 32.1 | Very low | 31 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | -166.8 | 104.4 | 126.7 | -99 | 173.8 | -169.9 | -170.9 | 0 | 108.4 | |||||
| 276 | H | 30.6 | Very low | 30.9 | Very low | 194 Ų | 194 | 147 Ų | 147 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -120.6 | 115.1 | 161 | -111.3 | -63.6 | 0 | 0 | 0 | 108.5 | ||||
| 277 | Q | 36 | Very low | 31 | Very low | 185 Ų | 185 | 148.1 Ų | 148.1 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -104.9 | 134.8 | 154.8 | -137.2 | 164.2 | -7.9 | 0 | 0 | 104.2 | ||||
| 278 | E | 34.3 | Very low | 31.2 | Very low | 186 Ų | 186 | 149.7 Ų | 149.7 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -50.7 | 151.6 | 167.8 | -92.6 | 177.4 | 147.4 | 0 | 0 | 111 | ||||
| 279 | P | 40.8 | Very low | 31.4 | Very low | 112 Ų | 112 | 153.7 Ų | 153.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | -155.9 | 167.8 | 61.2 | 38.2 | -15.2 | 0 | 0 | 0 | 119 | |||||
| 280 | Q | 32.5 | Very low | 31.9 | Very low | 192 Ų | 192 | 155 Ų | 155 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | 29.6 | 127.7 | 143.5 | -64.2 | -177.2 | -32.6 | 0 | 0 | 122.6 | ||||
| 281 | S | 27.1 | Very low | 32.3 | Very low | 117 Ų | 117 | 160.2 Ų | 160.2 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | 169.7 | 129.4 | 138 | 179.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 282 | G | 26.2 | Very low | 32.7 | Very low | 51 Ų | 51 | 162.7 Ų | 162.7 | 53% | 0.526 | 82% | 0.822 | S | S | . | * | cis | 101.2 | 113.7 | 41.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 283 | Y | 25.6 | Very low | 33.2 | Very low | 218 Ų | 218 | 163 Ų | 163 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | trans | 72.9 | 140.3 | 174.1 | -43.8 | -80.9 | 0 | 0 | 0 | 114.8 | ||||
| 284 | E | 26.4 | Very low | 33.7 | Very low | 171 Ų | 171 | 164.9 Ų | 164.9 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | cis | -165.6 | 163.4 | 9.9 | -138.3 | 165.1 | 178.5 | 0 | 0 | 109.4 | ||||
| 285 | N | 30.5 | Very low | 33.6 | Very low | 150 Ų | 150 | 168.2 Ų | 168.2 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -43 | 133.9 | 179.4 | -68.3 | -57.4 | 0 | 0 | 0 | 116.7 | ||||
| 286 | V | 30.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 163.4 Ų | 163.4 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | -162.7 | 108.6 | 117.1 | 175.2 | 0 | 0 | 0 | 0 | 107 | |||||
| 287 | H | 32.5 | Very low | 34.1 | Very low | 176 Ų | 176 | 163.8 Ų | 163.8 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | 170.5 | 93.6 | 145 | -87.2 | -31.4 | 0 | 0 | 0 | 110.7 | ||||
| 288 | K | 33.1 | Very low | 34.1 | Very low | 210 Ų | 210 | 162.9 Ų | 162.9 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | trans | -150.6 | 78.5 | 142.9 | -77.1 | -162.2 | -178.4 | 174.4 | 0 | 109 | ||||
| 289 | E | 36.3 | Very low | 34 | Very low | 187 Ų | 187 | 164 Ų | 164 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -144.6 | 64.9 | 161 | -159.5 | 138.8 | -142.4 | 0 | 0 | 110 | ||||
| 290 | T | 41.2 | Very low | 33.9 | Very low | 130 Ų | 130 | 163.4 Ų | 163.4 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -150.4 | 75.8 | 167.1 | 24.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 291 | D | 36.9 | Very low | 34 | Very low | 170 Ų | 170 | 158.8 Ų | 158.8 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -165.5 | 50.8 | 154.5 | -99.7 | -17.4 | 0 | 0 | 0 | 111.4 | ||
| 292 | K | 39.2 | Very low | 34.6 | Very low | 199 Ų | 199 | 160.4 Ų | 160.4 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -142.2 | 25.4 | 173 | -108.1 | -176.7 | -170.8 | 175.9 | 0 | 114.8 | ||
| 293 | Q | 44.8 | Very low | 34.9 | Very low | 179 Ų | 179 | 167.2 Ų | 167.2 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -127 | 30.9 | -179.9 | -75.7 | -170 | -13.2 | 0 | 0 | 115 | ||
| 294 | H | 36.8 | Very low | 35.5 | Very low | 171 Ų | 171 | 162.4 Ų | 162.4 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -131.2 | 21 | 176.2 | -137 | -91 | 0 | 0 | 0 | 115.9 | ||
| 295 | W | 32.4 | Very low | 35.9 | Very low | 206 Ų | 206 | 163.5 Ų | 163.5 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -127.8 | -8.7 | 171 | -79.7 | 105.3 | 0 | 0 | 0 | 114.9 | ||
| 296 | T | 39.4 | Very low | 36.1 | Very low | 102 Ų | 102 | 162 Ų | 162 | 63% | 0.626 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -90.4 | -20.7 | 178.5 | 34.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 297 | Y | 34.2 | Very low | 36 | Very low | 201 Ų | 201 | 165.6 Ų | 165.6 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -80.9 | -18.3 | 176.4 | -167.7 | -109.1 | 0 | 0 | 0 | 113.6 | ||
| 298 | F | 36 | Very low | 36 | Very low | 167 Ų | 167 | 164.9 Ų | 164.9 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -96.9 | -6.8 | -179.1 | -155 | -101.9 | 0 | 0 | 0 | 114.3 | ||
| 299 | R | 30.9 | Very low | 36 | Very low | 208 Ų | 208 | 163.7 Ų | 163.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -97.8 | -11 | 178.3 | -157.8 | -178.6 | -72.4 | -170.9 | -2.4 | 113.6 | ||
| 300 | V | 39.7 | Very low | 35.8 | Very low | 101 Ų | 101 | 164 Ų | 164 | 61% | 0.612 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -92.5 | -13.6 | -176.5 | 176.4 | 0 | 0 | 0 | 0 | 112.9 | T304 | V300-T304 PolarHBondContact O-OG1 2.78Š|
| 301 | S | 34.9 | Very low | 35.1 | Very low | 94 Ų | 94 | 168.5 Ų | 168.5 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | 3.9 | -177.4 | -54.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 302 | I | 39.8 | Very low | 34.7 | Very low | 151 Ų | 151 | 167.3 Ų | 167.3 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 13.8 | 178.6 | -64.1 | -168.1 | 0 | 0 | 0 | 112.9 | ||
| 303 | K | 32.1 | Very low | 34.1 | Very low | 194 Ų | 194 | 163.5 Ų | 163.5 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -131.2 | 22.6 | 177.3 | -110.5 | 177.3 | -177.6 | 177.7 | 0 | 116 | ||
| 304 | T | 37.5 | Very low | 33.3 | Very low | 118 Ų | 118 | 162.7 Ų | 162.7 | 72% | 0.724 | 79% | 0.789 | S | S | * | * | trans | -132.3 | 57.1 | -179.8 | -3.4 | 0 | 0 | 0 | 0 | 111.5 | V300 | V300-T304 PolarHBondContact O-OG1 2.78Š| ||
| 305 | Q | 34.9 | Very low | 33 | Very low | 193 Ų | 193 | 164.3 Ų | 164.3 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -151.6 | 124.4 | 148.8 | -112.4 | 173.6 | 0.8 | 0 | 0 | 107.3 | ||
| 306 | S | 35.4 | Very low | 32.8 | Very low | 119 Ų | 119 | 163.9 Ų | 163.9 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 90.6 | 60.7 | -176 | -156.7 | 0 | 0 | 0 | 0 | 117 | ||
| 307 | K | 28.7 | Very low | 32.4 | Very low | 201 Ų | 201 | 162.4 Ų | 162.4 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -169.2 | 64.3 | 142.7 | -106.5 | 166.8 | -172.3 | 180 | 0 | 112.2 | ||||
| 308 | D | 31.2 | Very low | 32.4 | Very low | 162 Ų | 162 | 160.7 Ų | 160.7 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | trans | -111.4 | 82.7 | 151.2 | -86.1 | -29.4 | 0 | 0 | 0 | 107.8 | ||||
| 309 | Q | 33.2 | Very low | 32.2 | Very low | 185 Ų | 185 | 159.1 Ų | 159.1 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 178.6 | 136.1 | 140.2 | -100.6 | 159.7 | -6.9 | 0 | 0 | 107.9 | ||
| 310 | Q | 31.9 | Very low | 32.3 | Very low | 192 Ų | 192 | 156.6 Ų | 156.6 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | 90.8 | 67.7 | 167.9 | -126.1 | 150.5 | -7.4 | 0 | 0 | 117.9 | ||||
| 311 | R | 27.8 | Very low | 32.4 | Very low | 225 Ų | 225 | 160.3 Ų | 160.3 | 85% | 0.849 | 82% | 0.817 | S | S | * | * | trans | -165.9 | 110.1 | 135.6 | -129.6 | -174.2 | -79.8 | -174.6 | -9.5 | 106 | ||||
| 312 | N | 28.3 | Very low | 33 | Very low | 145 Ų | 145 | 164.7 Ų | 164.7 | 78% | 0.775 | 83% | 0.827 | S | S | * | * | -166.6 | 140.7 | 70.3 | -71 | -29.9 | 0 | 0 | 0 | 109.3 | |||||
| 313 | S | 27.2 | Very low | 32.8 | Very low | 120 Ų | 120 | 163.4 Ų | 163.4 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | -165.6 | 102.5 | 129 | 63.8 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 314 | E | 27.7 | Very low | 32.9 | Very low | 161 Ų | 161 | 159.6 Ų | 159.6 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | trans | -116.8 | 142.2 | 151.7 | -87.4 | -175.4 | 174.7 | 0 | 0 | 107.1 | ||||
| 315 | Y | 29.4 | Very low | 33 | Very low | 206 Ų | 206 | 162.8 Ų | 162.8 | 81% | 0.808 | 83% | 0.834 | S | S | * | * | trans | 84.2 | 98.6 | 172.1 | -56.2 | -78.4 | 0 | 0 | 0 | 117.4 | ||||
| 316 | E | 29.2 | Very low | 33.6 | Very low | 197 Ų | 197 | 159.8 Ų | 159.8 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | -164.5 | 134.4 | 102.6 | -100.7 | 175.5 | -176.5 | 0 | 0 | 110.4 | |||||
| 317 | G | 30.4 | Very low | 34.1 | Very low | 71 Ų | 71 | 159.1 Ų | 159.1 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | trans | -86.7 | 143.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 318 | L | 35 | Very low | 34.9 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | 164.8 | 134.6 | 123.2 | -85.6 | 168.5 | 0 | 0 | 0 | 109.6 | |||||
| 319 | N | 31.5 | Very low | 35.7 | Very low | 134 Ų | 134 | 149.4 Ų | 149.4 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | 60.1 | 106.2 | 156 | -79.1 | 4.7 | 0 | 0 | 0 | 118.9 | ||||
| 320 | N | 31.7 | Very low | 36.4 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | -178.6 | 133.4 | 93.9 | -83.6 | -34.4 | 0 | 0 | 0 | 111.2 | |||||
| 321 | Q | 43.1 | Very low | 36.9 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -61.4 | 156.6 | 172.1 | -161.1 | 89.9 | 1.3 | 0 | 0 | 111 | ||||
| 322 | E | 46.3 | Very low | 38 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 84.4 | 63.6 | 167.7 | -59.2 | -174.6 | 156.6 | 0 | 0 | 118.5 | ||
| 323 | S | 36.2 | Very low | 39.3 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -171.1 | 53.9 | 146.1 | -123.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 324 | C | 33.8 | Very low | 40.5 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | trans | -148.7 | 22.2 | 176.9 | -130 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 325 | E | 39.6 | Very low | 41.8 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -99.3 | -8.7 | 179.6 | -75.4 | -178 | 167.3 | 0 | 0 | 114.4 | ||
| 326 | T | 48.7 | Very low | 43.5 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -103.6 | -13.4 | -174.3 | 46.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 327 | V | 45.6 | Very low | 45.1 | Very low | 106 Ų | 106 | 127.4 Ų | 127.4 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -101.7 | -19 | -176.7 | -175.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 328 | S | 45 | Very low | 46.8 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -78.4 | -20.7 | -180 | -164.4 | 0 | 0 | 0 | 0 | 114.1 | F330 | S328-F330 PolarHBondContact O-N 3.45Å |
| 329 | A | 48.7 | Very low | 48.4 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -79.6 | -16.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 330 | F | 47.1 | Very low | 50.2 | Low | 165 Ų | 165 | 121.5 Ų | 121.5 | 72% | 0.724 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -103.6 | -17.5 | -177 | -152.3 | -98.9 | 0 | 0 | 0 | 113.9 | S328 | S328-F330 PolarHBondContact O-N 3.45Å |
| 331 | H | 42.9 | Very low | 51.8 | Low | 121 Ų | 121 | 117 Ų | 117 | 56% | 0.56 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -101.2 | -19.4 | -174.4 | -89.5 | -77.8 | 0 | 0 | 0 | 115.2 | ||
| 332 | C | 50.3 | Low | 52.9 | Low | 63 Ų | 63 | 112.9 Ų | 112.9 | 43% | 0.426 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.4 | -48 | 179.8 | -72.7 | 0 | 0 | 0 | 0 | 114.6 | R334 M335 E336 | C332-R334 VanDerWaalsContact C-N 3.28Å; C332-R334 PolarHBondContact O-N 3.03Å; C332-M335 PolarHBondContact O-N 2.85Å; C332-E336 PolarHBondContact O-N 3.02Å |
| 333 | P | 56 | Low | 53.9 | Low | 68 Ų | 68 | 109 Ų | 109 | 44% | 0.442 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.3 | -28.3 | -174.3 | -17.2 | 29.9 | 0 | 0 | 0 | 113.1 | N337 | P333-N337 WeakPolarHBondContact O-CB 3.07Å; P333-N337 PolarHBondContact O-N 3.14Å; P333-N337 PolarHBondContact O-ND2 3Å |
| 334 | R | 52.8 | Low | 55.4 | Low | 173 Ų | 173 | 109.9 Ų | 109.9 | 65% | 0.653 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -76.8 | -30.7 | -176.2 | -164.2 | 172.1 | 173.6 | -172.3 | -2.4 | 112.2 | C332 L338 | C332-R334 VanDerWaalsContact C-N 3.28Å; C332-R334 PolarHBondContact O-N 3.03Å; R334-L338 PolarHBondContact O-N 3.36Å |
| 335 | M | 55.3 | Low | 57 | Low | 131 Ų | 131 | 109.4 Ų | 109.4 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -81.6 | -37.7 | 179 | -143.6 | 144.9 | 84.5 | 0 | 0 | 111.1 | C332 L338 I339 | C332-M335 PolarHBondContact O-N 2.85Å; M335-L338 PolarHBondContact O-N 3Å; M335-I339 WeakPolarHBondContact O-CD1 3.45Å; M335-I339 VanDerWaalsContact O-CG1 3.22Å; M335-I339 WeakPolarHBondContact O-CG1 3.45Å; M335-I339 PolarHBondContact O-N 2.98Å |
| 336 | E | 64.4 | Low | 58.2 | Low | 130 Ų | 130 | 104.7 Ų | 104.7 | 61% | 0.607 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.4 | -40.6 | 173.7 | -71.7 | 175 | 177.1 | 0 | 0 | 112.5 | C332 L338 I339 A340 | C332-E336 PolarHBondContact O-N 3.02Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 3.44Å; E336-I339 PolarHBondContact O-N 3.39Å; E336-A340 WeakPolarHBondContact O-CB 3.36Å; E336-A340 PolarHBondContact O-N 3.41Å |
| 337 | N | 63 | Low | 59 | Low | 117 Ų | 117 | 101.1 Ų | 101.1 | 63% | 0.626 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.2 | -33.5 | 175.3 | -75.1 | -27.5 | 0 | 0 | 0 | 113.1 | P333 S341 | P333-N337 WeakPolarHBondContact O-CB 3.07Å; P333-N337 PolarHBondContact O-N 3.14Å; P333-N337 PolarHBondContact O-ND2 3Å; N337-S341 VanDerWaalsContact O-CB 3.31Å; N337-S341 WeakPolarHBondContact O-CB 3.42Å; N337-S341 PolarHBondContact O-N 2.92Å |
| 338 | L | 65.6 | Low | 60 | Low | 101 Ų | 101 | 101.3 Ų | 101.3 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -72.6 | -38.1 | 175.9 | -113.1 | 139.1 | 0 | 0 | 0 | 111.8 | R334 M335 E336 S341 L342 | R334-L338 PolarHBondContact O-N 3.36Å; M335-L338 PolarHBondContact O-N 3Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 3.44Å; L338-S341 PolarHBondContact O-N 3.49Å; L338-L342 WeakPolarHBondContact O-CB 3.45Å; L338-L342 WeakPolarHBondContact O-CG 3.15Å; L338-L342 PolarHBondContact O-N 3.05Å |
| 339 | I | 68.9 | Low | 60.6 | Low | 92 Ų | 92 | 104.5 Ų | 104.5 | 47% | 0.472 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.4 | -48 | 173.6 | -67.9 | 163.5 | 0 | 0 | 0 | 109.7 | M335 E336 S341 L342 D343 | M335-I339 WeakPolarHBondContact O-CD1 3.45Å; M335-I339 VanDerWaalsContact O-CG1 3.22Å; M335-I339 WeakPolarHBondContact O-CG1 3.45Å; M335-I339 PolarHBondContact O-N 2.98Å; E336-I339 PolarHBondContact O-N 3.39Å; I339-S341 VanDerWaalsContact C-N 3.33Å; I339-S341 PolarHBondContact O-N 3.18Å; I339-L342 PolarHBondContact O-N 3.44Å; I339-D343 WeakPolarHBondContact O-CB 3.48Å; I339-D343 VanDerWaalsContact O-CG 3.31Å; I339-D343 PolarHBondContact O-N 3.28Å |
| 340 | A | 69 | Low | 61 | Low | 53 Ų | 53 | 103.3 Ų | 103.3 | 44% | 0.438 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.4 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E336 D343 Q344 | E336-A340 WeakPolarHBondContact O-CB 3.36Å; E336-A340 PolarHBondContact O-N 3.41Å; A340-D343 PolarHBondContact O-N 3.43Å; A340-Q344 WeakPolarHBondContact O-CB 3.4Å; A340-Q344 PolarHBondContact O-N 2.88Å |
| 341 | S | 66.5 | Low | 61.8 | Low | 62 Ų | 62 | 99.6 Ų | 99.6 | 43% | 0.434 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.4 | 176.6 | 0 | 0 | 0 | 0 | 112.4 | N337 L338 I339 Q344 E345 | N337-S341 VanDerWaalsContact O-CB 3.31Å; N337-S341 WeakPolarHBondContact O-CB 3.42Å; N337-S341 PolarHBondContact O-N 2.92Å; L338-S341 PolarHBondContact O-N 3.49Å; I339-S341 VanDerWaalsContact C-N 3.33Å; I339-S341 PolarHBondContact O-N 3.18Å; S341-Q344 PolarHBondContact O-N 2.91Å; S341-E345 PolarHBondContact O-N 2.96Å |
| 342 | L | 66.3 | Low | 62.9 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 48% | 0.482 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.6 | -40.2 | 177.4 | -83.8 | 161.8 | 0 | 0 | 0 | 111.4 | L338 I339 Q344 E345 V346 | L338-L342 WeakPolarHBondContact O-CB 3.45Å; L338-L342 WeakPolarHBondContact O-CG 3.15Å; L338-L342 PolarHBondContact O-N 3.05Å; I339-L342 PolarHBondContact O-N 3.44Å; L342-Q344 VanDerWaalsContact C-N 3.31Å; L342-Q344 PolarHBondContact O-N 3.43Å; L342-E345 PolarHBondContact O-N 2.75Å; L342-V346 WeakPolarHBondContact O-CB 3.4Å; L342-V346 VanDerWaalsContact O-CG2 3.22Å; L342-V346 WeakPolarHBondContact O-CG2 3.48Å; L342-V346 PolarHBondContact O-N 3.24Å |
| 343 | D | 66.3 | Low | 63.6 | Low | 105 Ų | 105 | 100.9 Ų | 100.9 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -38.2 | 176.1 | -73.1 | -24.1 | 0 | 0 | 0 | 111.5 | I339 A340 A347 | I339-D343 WeakPolarHBondContact O-CB 3.48Å; I339-D343 VanDerWaalsContact O-CG 3.31Å; I339-D343 PolarHBondContact O-N 3.28Å; A340-D343 PolarHBondContact O-N 3.43Å; D343-A347 VanDerWaalsContact O-CB 3.29Å; D343-A347 WeakPolarHBondContact O-CB 3.37Å; D343-A347 PolarHBondContact O-N 2.95Å |
| 344 | Q | 68.4 | Low | 64 | Low | 141 Ų | 141 | 103.5 Ų | 103.5 | 66% | 0.659 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.5 | -37.6 | 177.3 | -164.6 | 169.7 | 11 | 0 | 0 | 112.7 | A340 S341 L342 M348 | A340-Q344 WeakPolarHBondContact O-CB 3.4Å; A340-Q344 PolarHBondContact O-N 2.88Å; S341-Q344 PolarHBondContact O-N 2.91Å; L342-Q344 VanDerWaalsContact C-N 3.31Å; L342-Q344 PolarHBondContact O-N 3.43Å; Q344-M348 PolarHBondContact O-N 3.4Å; Q344-M348 VanDerWaalsContact O-N 3.07Å |
| 345 | E | 67.4 | Low | 64.7 | Low | 104 Ų | 104 | 100.9 Ų | 100.9 | 49% | 0.486 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 172.4 | -86.1 | -170.2 | 156 | 0 | 0 | 111.9 | S341 L342 A347 M348 F349 | S341-E345 PolarHBondContact O-N 2.96Å; L342-E345 PolarHBondContact O-N 2.75Å; E345-A347 VanDerWaalsContact C-N 3.32Å; E345-A347 PolarHBondContact O-N 3.42Å; E345-M348 PolarHBondContact O-N 2.97Å; E345-F349 HydrophobicContact CB-CD2 4.44Å; E345-F349 WeakPolarHBondContact O-CD2 3.37Å; E345-F349 PolarHBondContact O-N 3.44Å |
| 346 | V | 64.4 | Low | 65.3 | Low | 86 Ų | 86 | 103.3 Ų | 103.3 | 52% | 0.521 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 177.2 | 172.1 | 0 | 0 | 0 | 0 | 111 | L342 F349 T350 | L342-V346 WeakPolarHBondContact O-CB 3.4Å; L342-V346 VanDerWaalsContact O-CG2 3.22Å; L342-V346 WeakPolarHBondContact O-CG2 3.48Å; L342-V346 PolarHBondContact O-N 3.24Å; V346-F349 PolarHBondContact O-N 3.1Å; V346-T350 HydrophobicContact CG1-CG2 4.32Å; V346-T350 WeakPolarHBondContact O-CB 3.42Å; V346-T350 WeakPolarHBondContact O-CG2 3.48Å; V346-T350 PolarHBondContact O-N 3.45Å; V346-T350 PolarHBondContact O-OG1 2.9Å |
| 347 | A | 66.3 | Low | 65.4 | Low | 54 Ų | 54 | 102.4 Ų | 102.4 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D343 E345 T350 D351 | D343-A347 VanDerWaalsContact O-CB 3.29Å; D343-A347 WeakPolarHBondContact O-CB 3.37Å; D343-A347 PolarHBondContact O-N 2.95Å; E345-A347 VanDerWaalsContact C-N 3.32Å; E345-A347 PolarHBondContact O-N 3.42Å; A347-T350 WeakPolarHBondContact CA-OG1 3.37Å; A347-T350 PolarHBondContact O-N 2.7Å; A347-T350 PolarHBondContact O-OG1 3.46Å; A347-D351 PolarHBondContact O-N 2.77Å |
| 348 | M | 65.4 | Low | 65.8 | Low | 111 Ų | 111 | 100 Ų | 100 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 177.6 | -76.6 | -139.5 | -64.6 | 0 | 0 | 113.8 | Q344 E345 K352 | Q344-M348 PolarHBondContact O-N 3.4Å; Q344-M348 VanDerWaalsContact O-N 3.07Å; E345-M348 PolarHBondContact O-N 2.97Å; M348-K352 WeakPolarHBondContact O-CB 3.48Å; M348-K352 PolarHBondContact O-N 3.34Å; M348-K352 VanDerWaalsContact O-N 3.08Å |
| 349 | F | 56.8 | Low | 66.1 | Low | 145 Ų | 145 | 98.8 Ų | 98.8 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.1 | -34.6 | 175.3 | -81.5 | -69.2 | 0 | 0 | 0 | 111.9 | E345 V346 S353 | E345-F349 HydrophobicContact CB-CD2 4.44Å; E345-F349 WeakPolarHBondContact O-CD2 3.37Å; E345-F349 PolarHBondContact O-N 3.44Å; V346-F349 PolarHBondContact O-N 3.1Å; F349-S353 VanDerWaalsContact O-CB 3.31Å; F349-S353 WeakPolarHBondContact O-CB 3.35Å; F349-S353 PolarHBondContact O-N 2.81Å; F349-S353 VanDerWaalsContact O-N 3.08Å; F349-S353 PolarHBondContact O-OG 2.95Å |
| 350 | T | 59.1 | Low | 66.2 | Low | 55 Ų | 55 | 100.6 Ų | 100.6 | 34% | 0.337 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.1 | -36.6 | 174.9 | 54 | 0 | 0 | 0 | 0 | 112.2 | V346 A347 S353 K354 | V346-T350 HydrophobicContact CG1-CG2 4.32Å; V346-T350 WeakPolarHBondContact O-CB 3.42Å; V346-T350 WeakPolarHBondContact O-CG2 3.48Å; V346-T350 PolarHBondContact O-N 3.45Å; V346-T350 PolarHBondContact O-OG1 2.9Å; A347-T350 WeakPolarHBondContact CA-OG1 3.37Å; A347-T350 PolarHBondContact O-N 2.7Å; A347-T350 PolarHBondContact O-OG1 3.46Å; T350-S353 WeakPolarHBondContact CA-OG 3.47Å; T350-S353 PolarHBondContact O-OG 3.06Å; T350-K354 VanDerWaalsContact O-CB 3.28Å; T350-K354 WeakPolarHBondContact O-CB 3.27Å; T350-K354 WeakPolarHBondContact O-CD 3.35Å; T350-K354 WeakPolarHBondContact O-CG 3.4Å; T350-K354 PolarHBondContact O-N 3.29Å |
| 351 | D | 63.6 | Low | 66.5 | Low | 87 Ų | 87 | 103 Ų | 103 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72 | -42.9 | 176.4 | -112.6 | 7.7 | 0 | 0 | 0 | 113.2 | A347 S353 K354 H355 | A347-D351 PolarHBondContact O-N 2.77Å; D351-S353 VanDerWaalsContact C-N 3.33Å; D351-S353 PolarHBondContact O-N 2.86Å; D351-K354 PolarHBondContact O-N 3.1Å; D351-H355 PolarHBondContact O-CD2 2.9Å; D351-H355 VanDerWaalsContact O-CD2 3.23Å; D351-H355 PolarHBondContact O-N 3.35Å |
| 352 | K | 66.3 | Low | 67.1 | Low | 149 Ų | 149 | 106.6 Ų | 106.6 | 65% | 0.648 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.4 | -38.1 | 175 | -78.9 | 178.8 | 179.4 | 172 | 0 | 112.3 | M348 R356 | M348-K352 WeakPolarHBondContact O-CB 3.48Å; M348-K352 PolarHBondContact O-N 3.34Å; M348-K352 VanDerWaalsContact O-N 3.08Å; K352-R356 WeakPolarHBondContact O-CB 3.32Å; K352-R356 PolarHBondContact O-N 2.87Å |
| 353 | S | 63.3 | Low | 67.7 | Low | 63 Ų | 63 | 108 Ų | 108 | 44% | 0.441 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70.6 | -42 | 175.6 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | F349 T350 D351 R356 L357 | F349-S353 VanDerWaalsContact O-CB 3.31Å; F349-S353 WeakPolarHBondContact O-CB 3.35Å; F349-S353 PolarHBondContact O-N 2.81Å; F349-S353 VanDerWaalsContact O-N 3.08Å; F349-S353 PolarHBondContact O-OG 2.95Å; T350-S353 WeakPolarHBondContact CA-OG 3.47Å; T350-S353 PolarHBondContact O-OG 3.06Å; D351-S353 VanDerWaalsContact C-N 3.33Å; D351-S353 PolarHBondContact O-N 2.86Å; S353-R356 PolarHBondContact O-N 3.36Å; S353-L357 WeakPolarHBondContact O-CB 3.4Å; S353-L357 PolarHBondContact O-N 2.79Å |
| 354 | K | 64.6 | Low | 68.2 | Low | 122 Ų | 122 | 108.4 Ų | 108.4 | 53% | 0.53 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 174.9 | -78.3 | 169.2 | -173.8 | 172 | 0 | 112.9 | T350 D351 R356 L357 C358 | T350-K354 VanDerWaalsContact O-CB 3.28Å; T350-K354 WeakPolarHBondContact O-CB 3.27Å; T350-K354 WeakPolarHBondContact O-CD 3.35Å; T350-K354 WeakPolarHBondContact O-CG 3.4Å; T350-K354 PolarHBondContact O-N 3.29Å; D351-K354 PolarHBondContact O-N 3.1Å; K354-R356 PolarHBondContact O-N 2.86Å; K354-L357 PolarHBondContact O-N 3.09Å; K354-C358 WeakPolarHBondContact O-CB 3.4Å; K354-C358 PolarHBondContact O-N 2.86Å; K354-C358 PolarHBondContact O-SG 2.93Å; K354-C358 VanDerWaalsContact O-SG 3.38Å |
| 355 | H | 68 | Low | 68.9 | Low | 118 Ų | 118 | 107.8 Ų | 107.8 | 55% | 0.546 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 177.6 | -79.6 | -59.3 | 0 | 0 | 0 | 112.3 | D351 N359 | D351-H355 PolarHBondContact O-CD2 2.9Å; D351-H355 VanDerWaalsContact O-CD2 3.23Å; D351-H355 PolarHBondContact O-N 3.35Å; H355-N359 WeakPolarHBondContact O-CB 3.25Å; H355-N359 VanDerWaalsContact O-CG 3.27Å; H355-N359 PolarHBondContact O-N 2.8Å; H355-N359 PolarHBondContact O-ND2 3.18Å |
| 356 | R | 68.7 | Low | 69.5 | Low | 183 Ų | 183 | 106.8 Ų | 106.8 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.4 | -36.7 | 177.3 | -158.6 | 175.7 | -172.1 | -171.4 | 2.5 | 112 | K352 S353 K354 K360 | K352-R356 WeakPolarHBondContact O-CB 3.32Å; K352-R356 PolarHBondContact O-N 2.87Å; S353-R356 PolarHBondContact O-N 3.36Å; K354-R356 PolarHBondContact O-N 2.86Å; R356-K360 WeakPolarHBondContact O-CG 3.45Å; R356-K360 PolarHBondContact O-N 2.9Å; R356-K360 VanDerWaalsContact O-N 3.16Å |
| 357 | L | 66.1 | Low | 70.3 | Confident | 110 Ų | 110 | 107.7 Ų | 107.7 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.5 | -41.7 | 176.9 | -132.7 | 142.4 | 0 | 0 | 0 | 111.6 | S353 K354 N359 K360 L361 | S353-L357 WeakPolarHBondContact O-CB 3.4Å; S353-L357 PolarHBondContact O-N 2.79Å; K354-L357 PolarHBondContact O-N 3.09Å; L357-N359 PolarHBondContact O-N 3.45Å; L357-K360 PolarHBondContact O-N 2.88Å; L357-L361 HydrophobicContact CD2-CD1 3.82Å; L357-L361 HydrophobicContact CD2-CG 4.41Å; L357-L361 WeakPolarHBondContact O-CB 3.39Å; L357-L361 PolarHBondContact O-N 2.88Å |
| 358 | C | 70.1 | Confident | 70.7 | Confident | 66 Ų | 66 | 107.5 Ų | 107.5 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 174.2 | -78.3 | 0 | 0 | 0 | 0 | 112.6 | K354 L361 R362 | K354-C358 WeakPolarHBondContact O-CB 3.4Å; K354-C358 PolarHBondContact O-N 2.86Å; K354-C358 PolarHBondContact O-SG 2.93Å; K354-C358 VanDerWaalsContact O-SG 3.38Å; C358-L361 PolarHBondContact O-N 3.32Å; C358-R362 WeakPolarHBondContact O-CB 3.19Å; C358-R362 PolarHBondContact O-N 3.46Å |
| 359 | N | 72.1 | Confident | 71.4 | Confident | 77 Ų | 77 | 107.1 Ų | 107.1 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 177.5 | -71.8 | -17.8 | 0 | 0 | 0 | 111.8 | H355 L357 R362 L363 | H355-N359 WeakPolarHBondContact O-CB 3.25Å; H355-N359 VanDerWaalsContact O-CG 3.27Å; H355-N359 PolarHBondContact O-N 2.8Å; H355-N359 PolarHBondContact O-ND2 3.18Å; L357-N359 PolarHBondContact O-N 3.45Å; N359-R362 PolarHBondContact O-N 3.42Å; N359-R362 PolarHBondContact OD1-NH1 3.06Å; N359-L363 WeakPolarHBondContact O-CG 3.5Å; N359-L363 PolarHBondContact O-N 3.08Å |
| 360 | K | 72.4 | Confident | 72.3 | Confident | 129 Ų | 129 | 103.1 Ų | 103.1 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | 173.5 | -76.7 | -176.8 | 175 | -170.4 | 0 | 112.5 | R356 L357 R362 L363 L364 | R356-K360 WeakPolarHBondContact O-CG 3.45Å; R356-K360 PolarHBondContact O-N 2.9Å; R356-K360 VanDerWaalsContact O-N 3.16Å; L357-K360 PolarHBondContact O-N 2.88Å; K360-R362 VanDerWaalsContact C-N 3.35Å; K360-L363 PolarHBondContact O-N 2.93Å; K360-L364 WeakPolarHBondContact O-CB 3.43Å; K360-L364 WeakPolarHBondContact O-CG 3.46Å; K360-L364 PolarHBondContact O-N 3.43Å |
| 361 | L | 75.5 | Confident | 73.2 | Confident | 103 Ų | 103 | 105.9 Ų | 105.9 | 54% | 0.539 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 174.7 | -84.5 | 164.1 | 0 | 0 | 0 | 111.9 | L357 C358 L364 K365 | L357-L361 HydrophobicContact CD2-CD1 3.82Å; L357-L361 HydrophobicContact CD2-CG 4.41Å; L357-L361 WeakPolarHBondContact O-CB 3.39Å; L357-L361 PolarHBondContact O-N 2.88Å; C358-L361 PolarHBondContact O-N 3.32Å; L361-L364 PolarHBondContact O-N 3.4Å; L361-K365 WeakPolarHBondContact O-CB 3.49Å; L361-K365 PolarHBondContact O-N 3.01Å |
| 362 | R | 78.3 | Confident | 74 | Confident | 138 Ų | 138 | 105.6 Ų | 105.6 | 52% | 0.521 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 176.1 | -166.1 | -177.7 | -59.5 | 125.8 | 3.4 | 111.9 | C358 N359 K360 K365 N366 | C358-R362 WeakPolarHBondContact O-CB 3.19Å; C358-R362 PolarHBondContact O-N 3.46Å; N359-R362 PolarHBondContact O-N 3.42Å; N359-R362 PolarHBondContact OD1-NH1 3.06Å; K360-R362 VanDerWaalsContact C-N 3.35Å; R362-K365 PolarHBondContact O-N 3.16Å; R362-N366 WeakPolarHBondContact O-CB 3.42Å; R362-N366 PolarHBondContact O-N 2.65Å; R362-N366 PolarHBondContact O-OD1 3.29Å |
| 363 | L | 78.8 | Confident | 74.7 | Confident | 123 Ų | 123 | 101.5 Ų | 101.5 | 64% | 0.644 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 175.3 | -72.7 | 168.1 | 0 | 0 | 0 | 112.1 | N359 K360 N366 L367 | N359-L363 WeakPolarHBondContact O-CG 3.5Å; N359-L363 PolarHBondContact O-N 3.08Å; K360-L363 PolarHBondContact O-N 2.93Å; L363-N366 PolarHBondContact O-N 3.06Å; L363-L367 WeakPolarHBondContact O-CB 3.41Å; L363-L367 PolarHBondContact O-N 3.41Å |
| 364 | L | 76.6 | Confident | 75.8 | Confident | 113 Ų | 113 | 102.2 Ų | 102.2 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.3 | -40.6 | 174.4 | -81.4 | 166 | 0 | 0 | 0 | 112.2 | K360 L361 L367 A368 | K360-L364 WeakPolarHBondContact O-CB 3.43Å; K360-L364 WeakPolarHBondContact O-CG 3.46Å; K360-L364 PolarHBondContact O-N 3.43Å; L361-L364 PolarHBondContact O-N 3.4Å; L364-L367 PolarHBondContact O-N 3.29Å; L364-A368 WeakPolarHBondContact O-CB 3.33Å; L364-A368 PolarHBondContact O-N 3.25Å |
| 365 | K | 83 | Confident | 76.5 | Confident | 128 Ų | 128 | 101 Ų | 101 | 56% | 0.557 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -48.2 | 174.5 | -179.4 | 175.5 | 173.4 | 177.2 | 0 | 111.2 | L361 R362 L367 A368 E369 | L361-K365 WeakPolarHBondContact O-CB 3.49Å; L361-K365 PolarHBondContact O-N 3.01Å; R362-K365 PolarHBondContact O-N 3.16Å; K365-L367 VanDerWaalsContact C-N 3.32Å; K365-L367 PolarHBondContact O-N 3.34Å; K365-A368 PolarHBondContact O-N 2.92Å; K365-E369 WeakPolarHBondContact CE-OE1 3.42Å; K365-E369 HydrophobicContact CG-CG 4.48Å; K365-E369 WeakPolarHBondContact CG-OE1 3.41Å; K365-E369 IonicContact NZ-OE1 3.38Å; K365-E369 WeakPolarHBondContact O-CB 3.36Å; K365-E369 WeakPolarHBondContact O-CG 3.44Å; K365-E369 PolarHBondContact O-N 2.89Å |
| 366 | N | 79.8 | Confident | 77.2 | Confident | 83 Ų | 83 | 100.7 Ų | 100.7 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.9 | -35.4 | 178.8 | -67.2 | 1.4 | 0 | 0 | 0 | 112.3 | R362 L363 S370 | R362-N366 WeakPolarHBondContact O-CB 3.42Å; R362-N366 PolarHBondContact O-N 2.65Å; R362-N366 PolarHBondContact O-OD1 3.29Å; L363-N366 PolarHBondContact O-N 3.06Å; N366-S370 WeakPolarHBondContact O-CB 3.37Å; N366-S370 PolarHBondContact O-N 3.19Å; N366-S370 PolarHBondContact O-OG 3.41Å |
| 367 | L | 81.7 | Confident | 77.8 | Confident | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 175 | -166.1 | 89.7 | 0 | 0 | 0 | 111.3 | L363 L364 K365 S370 Q371 | L363-L367 WeakPolarHBondContact O-CB 3.41Å; L363-L367 PolarHBondContact O-N 3.41Å; L364-L367 PolarHBondContact O-N 3.29Å; K365-L367 VanDerWaalsContact C-N 3.32Å; K365-L367 PolarHBondContact O-N 3.34Å; L367-S370 PolarHBondContact O-OG 2.88Å; L367-Q371 VanDerWaalsContact O-CB 3.24Å; L367-Q371 WeakPolarHBondContact O-CB 3.38Å; L367-Q371 PolarHBondContact O-N 3.24Å |
| 368 | A | 75.6 | Confident | 78.6 | Confident | 50 Ų | 50 | 95.8 Ų | 95.8 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L364 K365 Q371 T372 | L364-A368 WeakPolarHBondContact O-CB 3.33Å; L364-A368 PolarHBondContact O-N 3.25Å; K365-A368 PolarHBondContact O-N 2.92Å; A368-Q371 PolarHBondContact O-N 3.36Å; A368-T372 WeakPolarHBondContact O-CB 3.35Å; A368-T372 PolarHBondContact O-N 3.19Å; A368-T372 PolarHBondContact O-OG1 3.42Å |
| 369 | E | 78.6 | Confident | 79.2 | Confident | 103 Ų | 103 | 96.3 Ų | 96.3 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 176.7 | -75.5 | 173.6 | -178.6 | 0 | 0 | 112.1 | K365 T372 S373 | K365-E369 WeakPolarHBondContact CE-OE1 3.42Å; K365-E369 HydrophobicContact CG-CG 4.48Å; K365-E369 WeakPolarHBondContact CG-OE1 3.41Å; K365-E369 IonicContact NZ-OE1 3.38Å; K365-E369 WeakPolarHBondContact O-CB 3.36Å; K365-E369 WeakPolarHBondContact O-CG 3.44Å; K365-E369 PolarHBondContact O-N 2.89Å; E369-T372 PolarHBondContact O-N 3.13Å; E369-S373 PolarHBondContact O-N 3.06Å |
| 370 | S | 77.2 | Confident | 79.7 | Confident | 61 Ų | 61 | 95.2 Ų | 95.2 | 43% | 0.427 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.2 | -35.3 | 176.3 | 80.3 | 0 | 0 | 0 | 0 | 112.5 | N366 L367 S373 V374 | N366-S370 WeakPolarHBondContact O-CB 3.37Å; N366-S370 PolarHBondContact O-N 3.19Å; N366-S370 PolarHBondContact O-OG 3.41Å; L367-S370 PolarHBondContact O-OG 2.88Å; S370-S373 PolarHBondContact O-OG 3.06Å; S370-V374 VanDerWaalsContact O-CG2 3.31Å; S370-V374 WeakPolarHBondContact O-CG2 3.5Å; S370-V374 PolarHBondContact O-N 2.73Å; S370-V374 VanDerWaalsContact O-N 3.15Å |
| 371 | Q | 77.8 | Confident | 80.4 | Confident | 112 Ų | 112 | 95.5 Ų | 95.5 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.5 | -37.8 | 175.5 | -169.7 | 168.8 | 4.5 | 0 | 0 | 111.5 | L367 A368 Q375 | L367-Q371 VanDerWaalsContact O-CB 3.24Å; L367-Q371 WeakPolarHBondContact O-CB 3.38Å; L367-Q371 PolarHBondContact O-N 3.24Å; A368-Q371 PolarHBondContact O-N 3.36Å; Q371-Q375 WeakPolarHBondContact O-CB 3.25Å; Q371-Q375 VanDerWaalsContact O-CG 3.29Å; Q371-Q375 WeakPolarHBondContact O-CG 3.39Å; Q371-Q375 PolarHBondContact O-N 2.85Å |
| 372 | T | 78.8 | Confident | 80.9 | Confident | 82 Ų | 82 | 95.9 Ų | 95.9 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 176.2 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | A368 E369 Q375 L376 | A368-T372 WeakPolarHBondContact O-CB 3.35Å; A368-T372 PolarHBondContact O-N 3.19Å; A368-T372 PolarHBondContact O-OG1 3.42Å; E369-T372 PolarHBondContact O-N 3.13Å; T372-Q375 PolarHBondContact O-N 3.25Å; T372-L376 WeakPolarHBondContact O-CB 3.31Å; T372-L376 PolarHBondContact O-N 3.47Å |
| 373 | S | 82.4 | Confident | 81.2 | Confident | 62 Ų | 62 | 95.3 Ų | 95.3 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 177.5 | 72.8 | 0 | 0 | 0 | 0 | 112.4 | E369 S370 L376 C377 | E369-S373 PolarHBondContact O-N 3.06Å; S370-S373 PolarHBondContact O-OG 3.06Å; S373-L376 PolarHBondContact O-N 3.3Å; S373-C377 PolarHBondContact O-N 3.44Å; S373-C377 PolarHBondContact O-SG 2.9Å; S373-C377 VanDerWaalsContact O-SG 3.36Å |
| 374 | V | 85.4 | Confident | 81.5 | Confident | 78 Ų | 78 | 95.6 Ų | 95.6 | 47% | 0.473 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 174.2 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | S370 L376 C377 Q378 | S370-V374 VanDerWaalsContact O-CG2 3.31Å; S370-V374 WeakPolarHBondContact O-CG2 3.5Å; S370-V374 PolarHBondContact O-N 2.73Å; S370-V374 VanDerWaalsContact O-N 3.15Å; V374-L376 VanDerWaalsContact C-N 3.34Å; V374-L376 PolarHBondContact O-N 3.32Å; V374-C377 PolarHBondContact O-N 3.46Å; V374-Q378 WeakPolarHBondContact O-CG 3.21Å; V374-Q378 PolarHBondContact O-N 3.22Å |
| 375 | Q | 79.6 | Confident | 82.1 | Confident | 96 Ų | 96 | 93.4 Ų | 93.4 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 174.8 | -74.7 | 175.4 | -9.9 | 0 | 0 | 111.8 | Q371 T372 Q378 I379 | Q371-Q375 WeakPolarHBondContact O-CB 3.25Å; Q371-Q375 VanDerWaalsContact O-CG 3.29Å; Q371-Q375 WeakPolarHBondContact O-CG 3.39Å; Q371-Q375 PolarHBondContact O-N 2.85Å; T372-Q375 PolarHBondContact O-N 3.25Å; Q375-Q378 PolarHBondContact O-N 3Å; Q375-I379 VanDerWaalsContact O-CG1 3.24Å; Q375-I379 WeakPolarHBondContact O-CG1 3.41Å; Q375-I379 PolarHBondContact O-N 3.46Å |
| 376 | L | 82.9 | Confident | 82.3 | Confident | 112 Ų | 112 | 91 Ų | 91 | 59% | 0.586 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.1 | -39 | 178 | -161.2 | 78.1 | 0 | 0 | 0 | 112.3 | T372 S373 V374 I379 S380 | T372-L376 WeakPolarHBondContact O-CB 3.31Å; T372-L376 PolarHBondContact O-N 3.47Å; S373-L376 PolarHBondContact O-N 3.3Å; V374-L376 VanDerWaalsContact C-N 3.34Å; V374-L376 PolarHBondContact O-N 3.32Å; L376-I379 PolarHBondContact O-N 3.45Å; L376-S380 WeakPolarHBondContact O-CB 3.47Å; L376-S380 PolarHBondContact O-N 2.91Å; L376-S380 PolarHBondContact O-OG 2.81Å |
| 377 | C | 81.1 | Confident | 82.5 | Confident | 84 Ų | 84 | 89.7 Ų | 89.7 | 57% | 0.568 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.3 | -42 | 173.4 | -72.2 | 0 | 0 | 0 | 0 | 111.7 | S373 V374 S380 E381 | S373-C377 PolarHBondContact O-N 3.44Å; S373-C377 PolarHBondContact O-SG 2.9Å; S373-C377 VanDerWaalsContact O-SG 3.36Å; V374-C377 PolarHBondContact O-N 3.46Å; C377-S380 PolarHBondContact O-N 3.36Å; C377-E381 PolarHBondContact O-N 3.11Å |
| 378 | Q | 83.4 | Confident | 82.8 | Confident | 106 Ų | 106 | 87.3 Ų | 87.3 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 176.1 | -72.7 | 173.2 | -9.8 | 0 | 0 | 112.1 | V374 Q375 S380 E381 L382 | V374-Q378 WeakPolarHBondContact O-CG 3.21Å; V374-Q378 PolarHBondContact O-N 3.22Å; Q375-Q378 PolarHBondContact O-N 3Å; Q378-S380 VanDerWaalsContact C-N 3.34Å; Q378-E381 PolarHBondContact O-N 3.39Å; Q378-L382 WeakPolarHBondContact O-CB 3.45Å; Q378-L382 VanDerWaalsContact O-CG 3.29Å; Q378-L382 WeakPolarHBondContact O-CG 3.34Å; Q378-L382 PolarHBondContact O-N 2.88Å |
| 379 | I | 81.4 | Confident | 83.3 | Confident | 78 Ų | 78 | 92.1 Ų | 92.1 | 40% | 0.4 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 174 | -69.2 | 163.9 | 0 | 0 | 0 | 110 | Q375 L376 E381 L382 E383 | Q375-I379 VanDerWaalsContact O-CG1 3.24Å; Q375-I379 WeakPolarHBondContact O-CG1 3.41Å; Q375-I379 PolarHBondContact O-N 3.46Å; L376-I379 PolarHBondContact O-N 3.45Å; I379-E381 PolarHBondContact O-N 2.96Å; I379-L382 CarbonylContact O-C 3.59Å; I379-L382 PolarHBondContact O-N 3Å; I379-E383 HydrophobicContact CG2-CG 4.33Å; I379-E383 WeakPolarHBondContact O-CG 3.24Å; I379-E383 PolarHBondContact O-N 3.34Å |
| 380 | S | 84.5 | Confident | 83.7 | Confident | 54 Ų | 54 | 95.2 Ų | 95.2 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 178.4 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | L376 C377 Q378 E383 L384 | L376-S380 WeakPolarHBondContact O-CB 3.47Å; L376-S380 PolarHBondContact O-N 2.91Å; L376-S380 PolarHBondContact O-OG 2.81Å; C377-S380 PolarHBondContact O-N 3.36Å; Q378-S380 VanDerWaalsContact C-N 3.34Å; S380-E383 PolarHBondContact O-N 2.83Å; S380-L384 WeakPolarHBondContact O-CG 3.31Å; S380-L384 PolarHBondContact O-N 2.81Å |
| 381 | E | 86.1 | Confident | 83.9 | Confident | 135 Ų | 135 | 96.4 Ų | 96.4 | 63% | 0.631 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.1 | -40.7 | 173.3 | -80.3 | -176.4 | 159.5 | 0 | 0 | 112.3 | C377 Q378 I379 E383 L384 T385 | C377-E381 PolarHBondContact O-N 3.11Å; Q378-E381 PolarHBondContact O-N 3.39Å; I379-E381 PolarHBondContact O-N 2.96Å; E381-E383 VanDerWaalsContact C-N 3.34Å; E381-L384 PolarHBondContact O-N 2.87Å; E381-T385 WeakPolarHBondContact O-CG2 3.43Å; E381-T385 PolarHBondContact O-N 3.42Å; E381-T385 PolarHBondContact O-OG1 2.65Å |
| 382 | L | 85.7 | Confident | 84.4 | Confident | 111 Ų | 111 | 96.5 Ų | 96.5 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 174.8 | -72.9 | 170.8 | 0 | 0 | 0 | 111.6 | Q378 I379 T385 V386 | Q378-L382 WeakPolarHBondContact O-CB 3.45Å; Q378-L382 VanDerWaalsContact O-CG 3.29Å; Q378-L382 WeakPolarHBondContact O-CG 3.34Å; Q378-L382 PolarHBondContact O-N 2.88Å; I379-L382 CarbonylContact O-C 3.59Å; I379-L382 PolarHBondContact O-N 3Å; L382-T385 WeakPolarHBondContact CA-OG1 3.49Å; L382-T385 PolarHBondContact O-N 2.78Å; L382-T385 PolarHBondContact O-OG1 3.16Å; L382-V386 WeakPolarHBondContact O-CB 3.44Å; L382-V386 VanDerWaalsContact O-CG2 3.24Å; L382-V386 WeakPolarHBondContact O-CG2 3.35Å; L382-V386 PolarHBondContact O-N 3.02Å |
| 383 | E | 84.9 | Confident | 84.6 | Confident | 126 Ų | 126 | 96.2 Ų | 96.2 | 59% | 0.589 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 175.2 | -75.3 | 177 | 168.8 | 0 | 0 | 112.1 | I379 S380 E381 V386 S387 | I379-E383 HydrophobicContact CG2-CG 4.33Å; I379-E383 WeakPolarHBondContact O-CG 3.24Å; I379-E383 PolarHBondContact O-N 3.34Å; S380-E383 PolarHBondContact O-N 2.83Å; E381-E383 VanDerWaalsContact C-N 3.34Å; E383-V386 PolarHBondContact O-N 3.48Å; E383-S387 VanDerWaalsContact O-CB 3.3Å; E383-S387 WeakPolarHBondContact O-CB 3.43Å; E383-S387 PolarHBondContact O-N 3.24Å |
| 384 | L | 85.6 | Confident | 84.7 | Confident | 128 Ų | 128 | 100 Ų | 100 | 67% | 0.67 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 175.5 | -73.3 | 173.1 | 0 | 0 | 0 | 111.9 | S380 E381 S387 S388 | S380-L384 WeakPolarHBondContact O-CG 3.31Å; S380-L384 PolarHBondContact O-N 2.81Å; E381-L384 PolarHBondContact O-N 2.87Å; L384-S387 PolarHBondContact O-N 3.46Å; L384-S388 PolarHBondContact O-N 2.81Å |
| 385 | T | 89.1 | Confident | 84.7 | Confident | 68 Ų | 68 | 100.9 Ų | 100.9 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 177.1 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | E381 L382 S387 S388 Y389 | E381-T385 WeakPolarHBondContact O-CG2 3.43Å; E381-T385 PolarHBondContact O-N 3.42Å; E381-T385 PolarHBondContact O-OG1 2.65Å; L382-T385 WeakPolarHBondContact CA-OG1 3.49Å; L382-T385 PolarHBondContact O-N 2.78Å; L382-T385 PolarHBondContact O-OG1 3.16Å; T385-S387 VanDerWaalsContact C-N 3.31Å; T385-S387 PolarHBondContact O-N 2.71Å; T385-S388 WeakPolarHBondContact O-CB 3.5Å; T385-S388 PolarHBondContact O-N 3Å; T385-Y389 WeakPolarHBondContact O-CD2 3.45Å; T385-Y389 PolarHBondContact O-N 3.24Å |
| 386 | V | 86.4 | Confident | 85.1 | Confident | 77 Ų | 77 | 101.5 Ų | 101.5 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 174.1 | 170 | 0 | 0 | 0 | 0 | 110.9 | L382 E383 Y389 R390 | L382-V386 WeakPolarHBondContact O-CB 3.44Å; L382-V386 VanDerWaalsContact O-CG2 3.24Å; L382-V386 WeakPolarHBondContact O-CG2 3.35Å; L382-V386 PolarHBondContact O-N 3.02Å; E383-V386 PolarHBondContact O-N 3.48Å; V386-Y389 PolarHBondContact O-N 2.97Å; V386-R390 WeakPolarHBondContact O-CB 3.21Å; V386-R390 PolarHBondContact O-N 2.86Å |
| 387 | S | 83.9 | Confident | 85.2 | Confident | 55 Ų | 55 | 100.6 Ų | 100.6 | 39% | 0.385 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 175.3 | -163.2 | 0 | 0 | 0 | 0 | 111.6 | E383 L384 T385 Y389 R390 D391 | E383-S387 VanDerWaalsContact O-CB 3.3Å; E383-S387 WeakPolarHBondContact O-CB 3.43Å; E383-S387 PolarHBondContact O-N 3.24Å; L384-S387 PolarHBondContact O-N 3.46Å; T385-S387 VanDerWaalsContact C-N 3.31Å; T385-S387 PolarHBondContact O-N 2.71Å; S387-Y389 VanDerWaalsContact C-N 3.35Å; S387-Y389 PolarHBondContact O-N 2.8Å; S387-R390 WeakPolarHBondContact O-CB 3.5Å; S387-R390 PolarHBondContact O-N 3.01Å; S387-R390 VanDerWaalsContact O-N 3.13Å; S387-D391 PolarHBondContact O-N 2.6Å |
| 388 | S | 88.7 | Confident | 85.4 | Confident | 55 Ų | 55 | 102.2 Ų | 102.2 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 175 | -176.4 | 0 | 0 | 0 | 0 | 113 | L384 T385 D391 K392 | L384-S388 PolarHBondContact O-N 2.81Å; T385-S388 WeakPolarHBondContact O-CB 3.5Å; T385-S388 PolarHBondContact O-N 3Å; S388-D391 PolarHBondContact O-N 3.46Å; S388-K392 WeakPolarHBondContact O-CG 3.1Å; S388-K392 PolarHBondContact O-N 3.3Å |
| 389 | Y | 86.4 | Confident | 85.6 | Confident | 151 Ų | 151 | 103.1 Ų | 103.1 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.6 | -38.6 | 175.5 | -80 | -67.5 | 0 | 0 | 0 | 112.3 | T385 V386 S387 D391 K392 V393 | T385-Y389 WeakPolarHBondContact O-CD2 3.45Å; T385-Y389 PolarHBondContact O-N 3.24Å; V386-Y389 PolarHBondContact O-N 2.97Å; S387-Y389 VanDerWaalsContact C-N 3.35Å; S387-Y389 PolarHBondContact O-N 2.8Å; Y389-D391 VanDerWaalsContact C-N 3.32Å; Y389-D391 PolarHBondContact O-N 3.22Å; Y389-K392 HydrophobicContact CD1-CD 4.48Å; Y389-K392 PolarHBondContact O-N 3.22Å; Y389-V393 WeakPolarHBondContact O-CG2 3.38Å; Y389-V393 PolarHBondContact O-N 3.42Å |
| 390 | R | 86.1 | Confident | 85.7 | Confident | 168 Ų | 168 | 104.5 Ų | 104.5 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.3 | -43.8 | 176.4 | -149.1 | -169.7 | -53.3 | -116 | 4.8 | 111 | V386 S387 V393 K394 | V386-R390 WeakPolarHBondContact O-CB 3.21Å; V386-R390 PolarHBondContact O-N 2.86Å; S387-R390 WeakPolarHBondContact O-CB 3.5Å; S387-R390 PolarHBondContact O-N 3.01Å; S387-R390 VanDerWaalsContact O-N 3.13Å; R390-V393 PolarHBondContact O-N 2.94Å; R390-K394 WeakPolarHBondContact O-CB 3.31Å; R390-K394 PolarHBondContact O-N 3.29Å |
| 391 | D | 82.8 | Confident | 85.6 | Confident | 86 Ų | 86 | 107.4 Ų | 107.4 | 46% | 0.46 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 176 | -73.7 | -22.3 | 0 | 0 | 0 | 112.2 | S387 S388 Y389 V393 K394 N395 | S387-D391 PolarHBondContact O-N 2.6Å; S388-D391 PolarHBondContact O-N 3.46Å; Y389-D391 VanDerWaalsContact C-N 3.32Å; Y389-D391 PolarHBondContact O-N 3.22Å; D391-V393 PolarHBondContact O-N 2.92Å; D391-K394 PolarHBondContact O-N 2.88Å; D391-N395 WeakPolarHBondContact O-CB 3.19Å; D391-N395 VanDerWaalsContact O-CG 3.23Å; D391-N395 PolarHBondContact O-N 3.1Å; D391-N395 PolarHBondContact O-ND2 3.45Å |
| 392 | K | 86.4 | Confident | 85.7 | Confident | 114 Ų | 114 | 108.6 Ų | 108.6 | 50% | 0.496 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 173.5 | -76.6 | 173.3 | -177.8 | 171.2 | 0 | 112.3 | S388 Y389 N395 Q396 | S388-K392 WeakPolarHBondContact O-CG 3.1Å; S388-K392 PolarHBondContact O-N 3.3Å; Y389-K392 HydrophobicContact CD1-CD 4.48Å; Y389-K392 PolarHBondContact O-N 3.22Å; K392-N395 PolarHBondContact O-N 3.01Å; K392-Q396 PolarHBondContact O-N 2.92Å |
| 393 | V | 84.9 | Confident | 85.8 | Confident | 77 Ų | 77 | 109.7 Ų | 109.7 | 47% | 0.467 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 176.8 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | Y389 R390 D391 N395 Q396 I397 | Y389-V393 WeakPolarHBondContact O-CG2 3.38Å; Y389-V393 PolarHBondContact O-N 3.42Å; R390-V393 PolarHBondContact O-N 2.94Å; D391-V393 PolarHBondContact O-N 2.92Å; V393-N395 VanDerWaalsContact C-N 3.31Å; V393-N395 PolarHBondContact O-N 3.32Å; V393-Q396 PolarHBondContact O-N 3.07Å; V393-I397 HydrophobicContact CG1-CD1 3.72Å; V393-I397 HydrophobicContact CG1-CG1 4.3Å; V393-I397 VanDerWaalsContact O-CG1 3.31Å; V393-I397 WeakPolarHBondContact O-CG1 3.44Å; V393-I397 PolarHBondContact O-N 3.1Å |
| 394 | K | 83.3 | Confident | 85.7 | Confident | 141 Ų | 141 | 107.2 Ų | 107.2 | 61% | 0.613 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -59.3 | -42.9 | 176.6 | -167.8 | 177.7 | -179.5 | -178 | 0 | 111.7 | R390 D391 I397 M398 | R390-K394 WeakPolarHBondContact O-CB 3.31Å; R390-K394 PolarHBondContact O-N 3.29Å; D391-K394 PolarHBondContact O-N 2.88Å; K394-I397 PolarHBondContact O-N 3.24Å; K394-M398 WeakPolarHBondContact O-CB 3.3Å; K394-M398 PolarHBondContact O-N 3.39Å |
| 395 | N | 85.3 | Confident | 85.6 | Confident | 97 Ų | 97 | 104.5 Ų | 104.5 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 176.2 | -70.7 | -24.8 | 0 | 0 | 0 | 112.4 | D391 K392 V393 M398 M399 | D391-N395 WeakPolarHBondContact O-CB 3.19Å; D391-N395 VanDerWaalsContact O-CG 3.23Å; D391-N395 PolarHBondContact O-N 3.1Å; D391-N395 PolarHBondContact O-ND2 3.45Å; K392-N395 PolarHBondContact O-N 3.01Å; V393-N395 VanDerWaalsContact C-N 3.31Å; V393-N395 PolarHBondContact O-N 3.32Å; N395-M398 PolarHBondContact O-N 3.38Å; N395-M399 WeakPolarHBondContact O-CB 3.25Å; N395-M399 PolarHBondContact O-N 3.43Å |
| 396 | Q | 87.7 | Confident | 85.6 | Confident | 109 Ų | 109 | 107.5 Ų | 107.5 | 51% | 0.509 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 173.4 | -82.5 | -179.1 | 12.5 | 0 | 0 | 112.6 | K392 V393 M398 M399 L400 | K392-Q396 PolarHBondContact O-N 2.92Å; V393-Q396 PolarHBondContact O-N 3.07Å; Q396-M398 VanDerWaalsContact C-N 3.32Å; Q396-M398 PolarHBondContact O-N 3.39Å; Q396-M399 PolarHBondContact O-N 3.37Å; Q396-L400 WeakPolarHBondContact O-CB 3.17Å; Q396-L400 WeakPolarHBondContact O-CG 3.46Å; Q396-L400 PolarHBondContact O-N 2.86Å |
| 397 | I | 84.8 | Confident | 85.6 | Confident | 92 Ų | 92 | 108.3 Ų | 108.3 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 175.8 | -70 | 168.8 | 0 | 0 | 0 | 110.1 | V393 K394 M399 L400 L401 | V393-I397 HydrophobicContact CG1-CD1 3.72Å; V393-I397 HydrophobicContact CG1-CG1 4.3Å; V393-I397 VanDerWaalsContact O-CG1 3.31Å; V393-I397 WeakPolarHBondContact O-CG1 3.44Å; V393-I397 PolarHBondContact O-N 3.1Å; K394-I397 PolarHBondContact O-N 3.24Å; I397-M399 PolarHBondContact O-N 2.94Å; I397-L400 PolarHBondContact O-N 3.13Å; I397-L401 HydrophobicContact CG2-CD1 3.96Å; I397-L401 WeakPolarHBondContact O-CB 3.21Å; I397-L401 WeakPolarHBondContact O-CG 3.37Å; I397-L401 PolarHBondContact O-N 3.31Å |
| 398 | M | 86.3 | Confident | 85.7 | Confident | 119 Ų | 119 | 111.3 Ų | 111.3 | 59% | 0.586 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.2 | -38.6 | 179.2 | -165.4 | 137 | 67.5 | 0 | 0 | 112.4 | K394 N395 Q396 L401 F402 | K394-M398 WeakPolarHBondContact O-CB 3.3Å; K394-M398 PolarHBondContact O-N 3.39Å; N395-M398 PolarHBondContact O-N 3.38Å; Q396-M398 VanDerWaalsContact C-N 3.32Å; Q396-M398 PolarHBondContact O-N 3.39Å; M398-L401 PolarHBondContact O-N 3.29Å; M398-F402 PolarHBondContact O-N 3.31Å |
| 399 | M | 87.8 | Confident | 85.7 | Confident | 125 Ų | 125 | 115.1 Ų | 115.1 | 62% | 0.616 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.8 | -38.7 | 174.4 | -174.3 | -174.7 | 51.5 | 0 | 0 | 112.4 | N395 Q396 I397 F402 K403 | N395-M399 WeakPolarHBondContact O-CB 3.25Å; N395-M399 PolarHBondContact O-N 3.43Å; Q396-M399 PolarHBondContact O-N 3.37Å; I397-M399 PolarHBondContact O-N 2.94Å; M399-F402 PolarHBondContact O-N 3.09Å; M399-K403 WeakPolarHBondContact O-CB 3.29Å; M399-K403 PolarHBondContact O-N 3.1Å |
| 400 | L | 83.2 | Confident | 85.6 | Confident | 107 Ų | 107 | 113 Ų | 113 | 56% | 0.56 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.1 | -43.3 | 175 | -75.6 | 170.8 | 0 | 0 | 0 | 111.4 | Q396 I397 F402 K403 V404 | Q396-L400 WeakPolarHBondContact O-CB 3.17Å; Q396-L400 WeakPolarHBondContact O-CG 3.46Å; Q396-L400 PolarHBondContact O-N 2.86Å; I397-L400 PolarHBondContact O-N 3.13Å; L400-F402 VanDerWaalsContact C-N 3.33Å; L400-F402 PolarHBondContact O-N 3.47Å; L400-K403 PolarHBondContact O-N 3.5Å; L400-K403 VanDerWaalsContact O-N 3.16Å; L400-V404 WeakPolarHBondContact O-CG2 3.38Å; L400-V404 PolarHBondContact O-N 3.09Å |
| 401 | L | 82.9 | Confident | 85.5 | Confident | 114 Ų | 114 | 111.3 Ų | 111.3 | 60% | 0.597 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.2 | -43.6 | 174.7 | -80.3 | 167.2 | 0 | 0 | 0 | 111.8 | I397 M398 K403 V404 S405 | I397-L401 HydrophobicContact CG2-CD1 3.96Å; I397-L401 WeakPolarHBondContact O-CB 3.21Å; I397-L401 WeakPolarHBondContact O-CG 3.37Å; I397-L401 PolarHBondContact O-N 3.31Å; M398-L401 PolarHBondContact O-N 3.29Å; L401-K403 VanDerWaalsContact C-N 3.33Å; L401-K403 PolarHBondContact O-N 3.34Å; L401-V404 PolarHBondContact O-N 3.07Å; L401-S405 WeakPolarHBondContact O-CB 3.37Å; L401-S405 PolarHBondContact O-N 3.47Å |
| 402 | F | 87.9 | Confident | 85.6 | Confident | 160 Ų | 160 | 112.7 Ų | 112.7 | 70% | 0.702 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.1 | -41 | 175.4 | -173.2 | -98.9 | 0 | 0 | 0 | 112.1 | M398 M399 L400 S405 Y406 | M398-F402 PolarHBondContact O-N 3.31Å; M399-F402 PolarHBondContact O-N 3.09Å; L400-F402 VanDerWaalsContact C-N 3.33Å; L400-F402 PolarHBondContact O-N 3.47Å; F402-S405 PolarHBondContact O-N 3.46Å; F402-Y406 WeakPolarHBondContact O-CB 3.34Å; F402-Y406 PolarHBondContact O-N 3.08Å |
| 403 | K | 88.5 | Confident | 85.6 | Confident | 135 Ų | 135 | 111.9 Ų | 111.9 | 59% | 0.587 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.4 | -38 | 179.6 | -164.6 | 158 | -174.8 | 172.9 | 0 | 112.7 | M399 L400 L401 Y406 L407 | M399-K403 WeakPolarHBondContact O-CB 3.29Å; M399-K403 PolarHBondContact O-N 3.1Å; L400-K403 PolarHBondContact O-N 3.5Å; L400-K403 VanDerWaalsContact O-N 3.16Å; L401-K403 VanDerWaalsContact C-N 3.33Å; L401-K403 PolarHBondContact O-N 3.34Å; K403-Y406 PolarHBondContact O-N 3.49Å; K403-L407 HydrophobicContact CG-CD1 4.41Å; K403-L407 WeakPolarHBondContact O-CB 3.4Å; K403-L407 VanDerWaalsContact O-CG 3.26Å; K403-L407 WeakPolarHBondContact O-CG 3.15Å; K403-L407 PolarHBondContact O-N 3.39Å |
| 404 | V | 82.2 | Confident | 85.5 | Confident | 74 Ų | 74 | 111.3 Ų | 111.3 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -49.1 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 110 | L400 L401 Y406 L407 E408 | L400-V404 WeakPolarHBondContact O-CG2 3.38Å; L400-V404 PolarHBondContact O-N 3.09Å; L401-V404 PolarHBondContact O-N 3.07Å; V404-Y406 VanDerWaalsContact C-N 3.29Å; V404-Y406 PolarHBondContact O-N 2.93Å; V404-L407 PolarHBondContact O-N 3.31Å; V404-E408 HydrophobicContact CG1-CG 4.24Å; V404-E408 WeakPolarHBondContact O-CG 3.49Å; V404-E408 PolarHBondContact O-N 2.88Å |
| 405 | S | 83.6 | Confident | 85.3 | Confident | 70 Ų | 70 | 110.8 Ų | 110.8 | 49% | 0.49 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.9 | -39.5 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 112.7 | L401 F402 K409 | L401-S405 WeakPolarHBondContact O-CB 3.37Å; L401-S405 PolarHBondContact O-N 3.47Å; F402-S405 PolarHBondContact O-N 3.46Å; S405-K409 PolarHBondContact O-N 3.42Å; S405-K409 VanDerWaalsContact O-N 3.11Å |
| 406 | Y | 87.8 | Confident | 85.1 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 174.1 | 174.7 | -100.1 | 0 | 0 | 0 | 112.9 | F402 K403 V404 K410 | F402-Y406 WeakPolarHBondContact O-CB 3.34Å; F402-Y406 PolarHBondContact O-N 3.08Å; K403-Y406 PolarHBondContact O-N 3.49Å; V404-Y406 VanDerWaalsContact C-N 3.29Å; V404-Y406 PolarHBondContact O-N 2.93Å; Y406-K410 HydrophobicContact CE1-CD 4.48Å; Y406-K410 WeakPolarHBondContact O-CB 3.15Å; Y406-K410 PolarHBondContact O-N 3.08Å; Y406-K410 VanDerWaalsContact O-N 3.08Å |
| 407 | L | 87.1 | Confident | 85 | Confident | 93 Ų | 93 | 111.5 Ų | 111.5 | 49% | 0.487 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70 | -38.2 | 178.6 | -71.3 | 172.5 | 0 | 0 | 0 | 112.2 | K403 V404 K410 M411 | K403-L407 HydrophobicContact CG-CD1 4.41Å; K403-L407 WeakPolarHBondContact O-CB 3.4Å; K403-L407 VanDerWaalsContact O-CG 3.26Å; K403-L407 WeakPolarHBondContact O-CG 3.15Å; K403-L407 PolarHBondContact O-N 3.39Å; V404-L407 PolarHBondContact O-N 3.31Å; L407-K410 PolarHBondContact O-N 3.25Å; L407-M411 PolarHBondContact O-N 2.81Å |
| 408 | E | 86.2 | Confident | 84.8 | Confident | 119 Ų | 119 | 112.8 Ų | 112.8 | 56% | 0.556 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.1 | -46.3 | 174 | -74 | 172.9 | 161.6 | 0 | 0 | 111.2 | V404 K410 M411 L412 | V404-E408 HydrophobicContact CG1-CG 4.24Å; V404-E408 WeakPolarHBondContact O-CG 3.49Å; V404-E408 PolarHBondContact O-N 2.88Å; E408-K410 VanDerWaalsContact C-N 3.32Å; E408-K410 PolarHBondContact O-N 3.11Å; E408-M411 PolarHBondContact O-N 3.47Å; E408-L412 PolarHBondContact O-N 3.05Å |
| 409 | K | 88.9 | Confident | 84.6 | Confident | 135 Ų | 135 | 114.6 Ų | 114.6 | 59% | 0.587 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.2 | -44 | 175 | -175.5 | 177.1 | 177.1 | -178.6 | 0 | 111.7 | S405 L412 E413 | S405-K409 PolarHBondContact O-N 3.42Å; S405-K409 VanDerWaalsContact O-N 3.11Å; K409-L412 PolarHBondContact O-N 2.89Å; K409-E413 WeakPolarHBondContact CE-OE1 3.38Å; K409-E413 PolarHBondContact O-N 3.19Å |
| 410 | K | 84.9 | Confident | 84.2 | Confident | 107 Ų | 107 | 110.9 Ų | 110.9 | 47% | 0.465 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68 | -35.5 | -179.6 | -167.2 | 162 | -175.9 | 168.2 | 0 | 112.7 | Y406 L407 E408 T414 | Y406-K410 HydrophobicContact CE1-CD 4.48Å; Y406-K410 WeakPolarHBondContact O-CB 3.15Å; Y406-K410 PolarHBondContact O-N 3.08Å; Y406-K410 VanDerWaalsContact O-N 3.08Å; L407-K410 PolarHBondContact O-N 3.25Å; E408-K410 VanDerWaalsContact C-N 3.32Å; E408-K410 PolarHBondContact O-N 3.11Å; K410-T414 WeakPolarHBondContact O-CG2 3.44Å; K410-T414 PolarHBondContact O-N 3.37Å; K410-T414 VanDerWaalsContact O-N 3.13Å; K410-T414 PolarHBondContact O-OG1 2.85Å |
| 411 | M | 82.3 | Confident | 84 | Confident | 132 Ų | 132 | 108.9 Ų | 108.9 | 65% | 0.65 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64 | -44.5 | 172.3 | -74.9 | -147.1 | -45.9 | 0 | 0 | 111.6 | L407 E408 E413 T414 E415 | L407-M411 PolarHBondContact O-N 2.81Å; E408-M411 PolarHBondContact O-N 3.47Å; M411-E413 VanDerWaalsContact C-N 3.33Å; M411-E413 PolarHBondContact O-N 3.01Å; M411-T414 WeakPolarHBondContact CA-OG1 3.34Å; M411-T414 PolarHBondContact O-N 3.09Å; M411-T414 PolarHBondContact O-OG1 3.33Å; M411-E415 WeakPolarHBondContact O-CB 3.5Å; M411-E415 PolarHBondContact O-N 2.87Å |
| 412 | L | 86.5 | Confident | 83.5 | Confident | 114 Ų | 114 | 108 Ų | 108 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.8 | -43 | 179.4 | -168.3 | 73.3 | 0 | 0 | 0 | 111.5 | E408 K409 E415 T416 | E408-L412 PolarHBondContact O-N 3.05Å; K409-L412 PolarHBondContact O-N 2.89Å; L412-E415 PolarHBondContact O-N 3.01Å; L412-T416 WeakPolarHBondContact O-CG2 3.31Å; L412-T416 PolarHBondContact O-N 2.79Å; L412-T416 PolarHBondContact O-OG1 3.28Å |
| 413 | E | 86.2 | Confident | 83.2 | Confident | 98 Ų | 98 | 106.2 Ų | 106.2 | 46% | 0.458 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 174.3 | -75 | 168.4 | -177.4 | 0 | 0 | 111.2 | K409 M411 E415 T416 E417 | K409-E413 WeakPolarHBondContact CE-OE1 3.38Å; K409-E413 PolarHBondContact O-N 3.19Å; M411-E413 VanDerWaalsContact C-N 3.33Å; M411-E413 PolarHBondContact O-N 3.01Å; E413-E415 VanDerWaalsContact C-N 3.32Å; E413-E415 PolarHBondContact O-N 3.46Å; E413-T416 PolarHBondContact O-N 3.02Å; E413-T416 PolarHBondContact O-OG1 2.84Å; E413-E417 PolarHBondContact O-N 3.28Å; E413-E417 VanDerWaalsContact O-N 3.1Å |
| 414 | T | 82.4 | Confident | 82.7 | Confident | 64 Ų | 64 | 105.6 Ų | 105.6 | 39% | 0.393 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65 | -33.5 | 178.2 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | K410 M411 E417 L418 | K410-T414 WeakPolarHBondContact O-CG2 3.44Å; K410-T414 PolarHBondContact O-N 3.37Å; K410-T414 VanDerWaalsContact O-N 3.13Å; K410-T414 PolarHBondContact O-OG1 2.85Å; M411-T414 WeakPolarHBondContact CA-OG1 3.34Å; M411-T414 PolarHBondContact O-N 3.09Å; M411-T414 PolarHBondContact O-OG1 3.33Å; T414-E417 PolarHBondContact O-N 2.92Å; T414-L418 WeakPolarHBondContact O-CB 3.4Å; T414-L418 WeakPolarHBondContact O-CG 3.42Å; T414-L418 PolarHBondContact O-N 3.39Å |
| 415 | E | 78.2 | Confident | 82.5 | Confident | 131 Ų | 131 | 109 Ų | 109 | 61% | 0.612 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.7 | -39 | 177.4 | -168.1 | 171.3 | -167.7 | 0 | 0 | 111 | M411 L412 E413 L418 F419 | M411-E415 WeakPolarHBondContact O-CB 3.5Å; M411-E415 PolarHBondContact O-N 2.87Å; L412-E415 PolarHBondContact O-N 3.01Å; E413-E415 VanDerWaalsContact C-N 3.32Å; E413-E415 PolarHBondContact O-N 3.46Å; E415-L418 PolarHBondContact O-N 2.93Å; E415-F419 WeakPolarHBondContact O-CB 3.35Å; E415-F419 PolarHBondContact O-N 2.9Å |
| 416 | T | 82.1 | Confident | 82.1 | Confident | 87 Ų | 87 | 109.3 Ų | 109.3 | 53% | 0.534 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 174.6 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | L412 E413 F419 A420 | L412-T416 WeakPolarHBondContact O-CG2 3.31Å; L412-T416 PolarHBondContact O-N 2.79Å; L412-T416 PolarHBondContact O-OG1 3.28Å; E413-T416 PolarHBondContact O-N 3.02Å; E413-T416 PolarHBondContact O-OG1 2.84Å; T416-F419 PolarHBondContact O-N 3.4Å; T416-A420 PolarHBondContact O-N 2.91Å |
| 417 | E | 85.9 | Confident | 81.5 | Confident | 133 Ų | 133 | 107.9 Ų | 107.9 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.2 | -41.5 | 174.9 | -73.3 | 179.9 | 172.8 | 0 | 0 | 112 | E413 T414 F419 A420 T421 | E413-E417 PolarHBondContact O-N 3.28Å; E413-E417 VanDerWaalsContact O-N 3.1Å; T414-E417 PolarHBondContact O-N 2.92Å; E417-F419 VanDerWaalsContact C-N 3.31Å; E417-F419 PolarHBondContact O-N 3.23Å; E417-A420 PolarHBondContact O-N 3.48Å; E417-T421 WeakPolarHBondContact O-CG2 3.35Å; E417-T421 PolarHBondContact O-N 3.25Å; E417-T421 PolarHBondContact O-OG1 3.49Å |
| 418 | L | 80.7 | Confident | 80.7 | Confident | 119 Ų | 119 | 106.5 Ų | 106.5 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.9 | -39 | 174.6 | -76.6 | 174.5 | 0 | 0 | 0 | 111.9 | T414 E415 T421 H422 | T414-L418 WeakPolarHBondContact O-CB 3.4Å; T414-L418 WeakPolarHBondContact O-CG 3.42Å; T414-L418 PolarHBondContact O-N 3.39Å; E415-L418 PolarHBondContact O-N 2.93Å; L418-T421 WeakPolarHBondContact CA-OG1 3.36Å; L418-T421 PolarHBondContact O-OG1 3.01Å; L418-H422 WeakPolarHBondContact O-CB 3.42Å; L418-H422 PolarHBondContact O-N 3.39Å |
| 419 | F | 82.3 | Confident | 80.1 | Confident | 157 Ų | 157 | 105.4 Ų | 105.4 | 69% | 0.689 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -41.8 | 175.5 | -171.8 | -98.2 | 0 | 0 | 0 | 112.2 | E415 T416 E417 H422 K423 | E415-F419 WeakPolarHBondContact O-CB 3.35Å; E415-F419 PolarHBondContact O-N 2.9Å; T416-F419 PolarHBondContact O-N 3.4Å; E417-F419 VanDerWaalsContact C-N 3.31Å; E417-F419 PolarHBondContact O-N 3.23Å; F419-H422 PolarHBondContact O-N 3.46Å; F419-K423 PolarHBondContact O-N 2.92Å; F419-K423 VanDerWaalsContact O-N 3.11Å |
| 420 | A | 77.6 | Confident | 79.2 | Confident | 47 Ų | 47 | 105.9 Ų | 105.9 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | T416 E417 H422 K423 E424 | T416-A420 PolarHBondContact O-N 2.91Å; E417-A420 PolarHBondContact O-N 3.48Å; A420-H422 VanDerWaalsContact C-N 3.33Å; A420-H422 PolarHBondContact O-N 2.92Å; A420-K423 WeakPolarHBondContact O-CB 3.42Å; A420-K423 PolarHBondContact O-N 2.88Å; A420-E424 PolarHBondContact O-N 3.28Å; A420-E424 VanDerWaalsContact O-N 3.1Å |
| 421 | T | 79.7 | Confident | 78.4 | Confident | 65 Ų | 65 | 107.4 Ų | 107.4 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.7 | -33 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | E417 L418 R425 | E417-T421 WeakPolarHBondContact O-CG2 3.35Å; E417-T421 PolarHBondContact O-N 3.25Å; E417-T421 PolarHBondContact O-OG1 3.49Å; L418-T421 WeakPolarHBondContact CA-OG1 3.36Å; L418-T421 PolarHBondContact O-OG1 3.01Å; T421-R425 PolarHBondContact O-N 3.48Å; T421-R425 VanDerWaalsContact O-N 3.15Å |
| 422 | H | 73.1 | Confident | 77.8 | Confident | 97 Ų | 97 | 105.1 Ų | 105.1 | 45% | 0.449 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -45.9 | 173.3 | -169.7 | -67.8 | 0 | 0 | 0 | 111.6 | L418 F419 A420 E424 R425 D426 | L418-H422 WeakPolarHBondContact O-CB 3.42Å; L418-H422 PolarHBondContact O-N 3.39Å; F419-H422 PolarHBondContact O-N 3.46Å; A420-H422 VanDerWaalsContact C-N 3.33Å; A420-H422 PolarHBondContact O-N 2.92Å; H422-E424 VanDerWaalsContact C-N 3.34Å; H422-E424 PolarHBondContact O-N 3.49Å; H422-R425 WeakPolarHBondContact O-CB 3.46Å; H422-R425 PolarHBondContact O-N 2.99Å; H422-D426 IonicContact CE1-OD1 2.93Å; H422-D426 IonicContact CE1-OD2 3.3Å; H422-D426 PolarHBondContact CE1-OD2 3.34Å; H422-D426 IonicContact ND1-OD1 3.7Å; H422-D426 IonicContact ND1-OD2 3.2Å; H422-D426 PolarHBondContact ND1-OD2 3Å; H422-D426 PolarHBondContact O-N 2.97Å; H422-D426 VanDerWaalsContact O-N 3.08Å |
| 423 | K | 81.3 | Confident | 77.1 | Confident | 121 Ų | 121 | 106.1 Ų | 106.1 | 53% | 0.526 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 178.9 | -174.4 | -178.6 | 177.9 | -176 | 0 | 112.3 | F419 A420 D426 Q427 | F419-K423 PolarHBondContact O-N 2.92Å; F419-K423 VanDerWaalsContact O-N 3.11Å; A420-K423 WeakPolarHBondContact O-CB 3.42Å; A420-K423 PolarHBondContact O-N 2.88Å; K423-D426 PolarHBondContact O-N 3.26Å; K423-Q427 WeakPolarHBondContact O-CG 3.3Å; K423-Q427 PolarHBondContact O-N 2.93Å; K423-Q427 VanDerWaalsContact O-N 3.13Å |
| 424 | E | 78.1 | Confident | 76.3 | Confident | 123 Ų | 123 | 106.5 Ų | 106.5 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.6 | -37.6 | 176.1 | -73.1 | 180 | 175.7 | 0 | 0 | 112.7 | A420 H422 Q427 S428 | A420-E424 PolarHBondContact O-N 3.28Å; A420-E424 VanDerWaalsContact O-N 3.1Å; H422-E424 VanDerWaalsContact C-N 3.34Å; H422-E424 PolarHBondContact O-N 3.49Å; E424-Q427 PolarHBondContact O-N 3.19Å; E424-S428 WeakPolarHBondContact O-CB 3.42Å; E424-S428 PolarHBondContact O-N 3.5Å; E424-S428 PolarHBondContact O-OG 2.9Å |
| 425 | R | 77.4 | Confident | 75.8 | Confident | 146 Ų | 146 | 109 Ų | 109 | 55% | 0.551 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 175 | -169 | -170.8 | -58.2 | 108.1 | 4.8 | 111.5 | T421 H422 S428 L429 | T421-R425 PolarHBondContact O-N 3.48Å; T421-R425 VanDerWaalsContact O-N 3.15Å; H422-R425 WeakPolarHBondContact O-CB 3.46Å; H422-R425 PolarHBondContact O-N 2.99Å; R425-S428 PolarHBondContact O-N 2.91Å; R425-L429 WeakPolarHBondContact O-CB 3.5Å; R425-L429 PolarHBondContact O-N 3.42Å |
| 426 | D | 74.6 | Confident | 75.1 | Confident | 76 Ų | 76 | 108.4 Ų | 108.4 | 41% | 0.406 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 179.3 | -67.4 | -27.6 | 0 | 0 | 0 | 111.7 | H422 K423 L429 Q430 | H422-D426 IonicContact CE1-OD1 2.93Å; H422-D426 IonicContact CE1-OD2 3.3Å; H422-D426 PolarHBondContact CE1-OD2 3.34Å; H422-D426 IonicContact ND1-OD1 3.7Å; H422-D426 IonicContact ND1-OD2 3.2Å; H422-D426 PolarHBondContact ND1-OD2 3Å; H422-D426 PolarHBondContact O-N 2.97Å; H422-D426 VanDerWaalsContact O-N 3.08Å; K423-D426 PolarHBondContact O-N 3.26Å; D426-L429 PolarHBondContact O-N 3.47Å; D426-Q430 PolarHBondContact O-N 2.94Å |
| 427 | Q | 75.6 | Confident | 74.5 | Confident | 101 Ų | 101 | 107 Ų | 107 | 47% | 0.472 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 174.9 | -71.4 | 175.3 | -8.4 | 0 | 0 | 112.1 | K423 E424 Q430 Q431 | K423-Q427 WeakPolarHBondContact O-CG 3.3Å; K423-Q427 PolarHBondContact O-N 2.93Å; K423-Q427 VanDerWaalsContact O-N 3.13Å; E424-Q427 PolarHBondContact O-N 3.19Å; Q427-Q430 PolarHBondContact O-N 3.35Å; Q427-Q431 PolarHBondContact O-N 3.3Å; Q427-Q431 VanDerWaalsContact O-N 3.1Å |
| 428 | S | 70.1 | Confident | 73.4 | Confident | 65 Ų | 65 | 106.1 Ų | 106.1 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.1 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | E424 R425 Q430 Q431 V432 | E424-S428 WeakPolarHBondContact O-CB 3.42Å; E424-S428 PolarHBondContact O-N 3.5Å; E424-S428 PolarHBondContact O-OG 2.9Å; R425-S428 PolarHBondContact O-N 2.91Å; S428-Q430 VanDerWaalsContact C-N 3.28Å; S428-Q430 PolarHBondContact O-N 3.42Å; S428-Q431 PolarHBondContact O-N 2.97Å; S428-V432 WeakPolarHBondContact O-CG2 3.48Å; S428-V432 PolarHBondContact O-N 3.34Å; S428-V432 VanDerWaalsContact O-N 3.13Å |
| 429 | L | 74.9 | Confident | 72.7 | Confident | 95 Ų | 95 | 105.5 Ų | 105.5 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -36 | 176.2 | -176.6 | 64.6 | 0 | 0 | 0 | 111.9 | R425 D426 V432 K433 | R425-L429 WeakPolarHBondContact O-CB 3.5Å; R425-L429 PolarHBondContact O-N 3.42Å; D426-L429 PolarHBondContact O-N 3.47Å; L429-V432 PolarHBondContact O-N 3.37Å; L429-K433 WeakPolarHBondContact O-CG 3.35Å; L429-K433 PolarHBondContact O-N 2.96Å |
| 430 | Q | 70 | Confident | 71.3 | Confident | 145 Ų | 145 | 103.5 Ų | 103.5 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.3 | -37.5 | 177.4 | -162.4 | 164.5 | -7.1 | 0 | 0 | 112 | D426 Q427 S428 K433 E434 | D426-Q430 PolarHBondContact O-N 2.94Å; Q427-Q430 PolarHBondContact O-N 3.35Å; S428-Q430 VanDerWaalsContact C-N 3.28Å; S428-Q430 PolarHBondContact O-N 3.42Å; Q430-K433 PolarHBondContact O-N 3.45Å; Q430-E434 PolarHBondContact O-N 2.91Å |
| 431 | Q | 67.4 | Low | 70.2 | Confident | 139 Ų | 139 | 107.4 Ų | 107.4 | 65% | 0.65 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -39.2 | 173.2 | -71.5 | 179.6 | -7.9 | 0 | 0 | 112.7 | Q427 S428 K433 E434 L435 | Q427-Q431 PolarHBondContact O-N 3.3Å; Q427-Q431 VanDerWaalsContact O-N 3.1Å; S428-Q431 PolarHBondContact O-N 2.97Å; Q431-K433 VanDerWaalsContact C-N 3.35Å; Q431-K433 PolarHBondContact O-N 3.4Å; Q431-E434 PolarHBondContact O-N 2.88Å; Q431-L435 PolarHBondContact O-N 3.28Å; Q431-L435 VanDerWaalsContact O-N 3.1Å |
| 432 | V | 69.9 | Low | 69 | Low | 84 Ų | 84 | 110.5 Ų | 110.5 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | S428 L429 E434 L435 Q436 | S428-V432 WeakPolarHBondContact O-CG2 3.48Å; S428-V432 PolarHBondContact O-N 3.34Å; S428-V432 VanDerWaalsContact O-N 3.13Å; L429-V432 PolarHBondContact O-N 3.37Å; V432-E434 VanDerWaalsContact C-N 3.29Å; V432-E434 PolarHBondContact O-N 2.95Å; V432-L435 PolarHBondContact O-N 2.65Å; V432-Q436 WeakPolarHBondContact O-CB 3.36Å; V432-Q436 PolarHBondContact O-N 3.16Å |
| 433 | K | 72.1 | Confident | 67.9 | Low | 135 Ų | 135 | 113.9 Ų | 113.9 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.1 | -35.7 | 177.1 | -72.9 | 176.9 | -179.4 | 177.4 | 0 | 112.5 | L429 Q430 Q431 Q436 S437 | L429-K433 WeakPolarHBondContact O-CG 3.35Å; L429-K433 PolarHBondContact O-N 2.96Å; Q430-K433 PolarHBondContact O-N 3.45Å; Q431-K433 VanDerWaalsContact C-N 3.35Å; Q431-K433 PolarHBondContact O-N 3.4Å; K433-Q436 PolarHBondContact O-N 3.46Å; K433-S437 PolarHBondContact O-N 3.19Å; K433-S437 VanDerWaalsContact O-N 3.17Å |
| 434 | E | 68.9 | Low | 66.5 | Low | 107 Ų | 107 | 113 Ų | 113 | 50% | 0.5 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -71.5 | -40 | 176.8 | -176.5 | 57.1 | -150.7 | 0 | 0 | 112.6 | Q430 Q431 V432 Q436 S437 Q438 | Q430-E434 PolarHBondContact O-N 2.91Å; Q431-E434 PolarHBondContact O-N 2.88Å; V432-E434 VanDerWaalsContact C-N 3.29Å; V432-E434 PolarHBondContact O-N 2.95Å; E434-Q436 VanDerWaalsContact C-N 3.25Å; E434-Q436 PolarHBondContact O-N 2.92Å; E434-S437 PolarHBondContact O-N 3.26Å; E434-S437 PolarHBondContact O-OG 3.12Å; E434-Q438 WeakPolarHBondContact O-CG 3.43Å; E434-Q438 PolarHBondContact O-N 2.93Å |
| 435 | L | 71.5 | Confident | 65 | Low | 115 Ų | 115 | 116.3 Ų | 116.3 | 60% | 0.602 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.4 | -34.1 | 174.1 | -70.4 | 172.1 | 0 | 0 | 0 | 111.8 | Q431 V432 Q438 L439 | Q431-L435 PolarHBondContact O-N 3.28Å; Q431-L435 VanDerWaalsContact O-N 3.1Å; V432-L435 PolarHBondContact O-N 2.65Å; L435-Q438 PolarHBondContact O-N 2.92Å; L435-L439 PolarHBondContact O-N 3.29Å |
| 436 | Q | 64.3 | Low | 63.7 | Low | 119 Ų | 119 | 113.3 Ų | 113.3 | 56% | 0.556 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.6 | -33.6 | 178.2 | -169.3 | 166.1 | -8.2 | 0 | 0 | 112.7 | V432 K433 E434 Q440 | V432-Q436 WeakPolarHBondContact O-CB 3.36Å; V432-Q436 PolarHBondContact O-N 3.16Å; K433-Q436 PolarHBondContact O-N 3.46Å; E434-Q436 VanDerWaalsContact C-N 3.25Å; E434-Q436 PolarHBondContact O-N 2.92Å; Q436-Q440 WeakPolarHBondContact O-CG 3.41Å; Q436-Q440 PolarHBondContact O-N 3.08Å |
| 437 | S | 69.4 | Low | 62.6 | Low | 59 Ų | 59 | 115.2 Ų | 115.2 | 41% | 0.413 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.1 | -37.4 | 174 | 61.4 | 0 | 0 | 0 | 0 | 111.8 | K433 E434 Q440 L441 | K433-S437 PolarHBondContact O-N 3.19Å; K433-S437 VanDerWaalsContact O-N 3.17Å; E434-S437 PolarHBondContact O-N 3.26Å; E434-S437 PolarHBondContact O-OG 3.12Å; S437-Q440 PolarHBondContact O-N 3.37Å; S437-L441 PolarHBondContact O-N 3Å |
| 438 | Q | 63.4 | Low | 61.3 | Low | 114 Ų | 114 | 119.7 Ų | 119.7 | 53% | 0.533 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.1 | -38.7 | 176.7 | -68.1 | -176.5 | 8.4 | 0 | 0 | 113.2 | E434 L435 Q440 L441 L442 | E434-Q438 WeakPolarHBondContact O-CG 3.43Å; E434-Q438 PolarHBondContact O-N 2.93Å; L435-Q438 PolarHBondContact O-N 2.92Å; Q438-Q440 VanDerWaalsContact C-N 3.31Å; Q438-Q440 PolarHBondContact O-N 3.45Å; Q438-L441 WeakPolarHBondContact O-CB 3.5Å; Q438-L441 PolarHBondContact O-N 3.32Å; Q438-L442 PolarHBondContact O-N 3.25Å |
| 439 | L | 64.3 | Low | 60.3 | Low | 106 Ų | 106 | 120.2 Ų | 120.2 | 56% | 0.555 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.2 | -34.4 | 176.7 | -170.7 | 75.2 | 0 | 0 | 0 | 112.5 | L435 L441 L442 | L435-L439 PolarHBondContact O-N 3.29Å; L439-L441 VanDerWaalsContact C-N 3.29Å; L439-L441 PolarHBondContact O-N 3.05Å; L439-L442 PolarHBondContact O-N 3.23Å |
| 440 | Q | 53.9 | Low | 59.1 | Low | 115 Ų | 115 | 119.2 Ų | 119.2 | 54% | 0.537 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.8 | -32.5 | 177 | -69.2 | -71.1 | -16.2 | 0 | 0 | 111.8 | Q436 S437 Q438 | Q436-Q440 WeakPolarHBondContact O-CG 3.41Å; Q436-Q440 PolarHBondContact O-N 3.08Å; S437-Q440 PolarHBondContact O-N 3.37Å; Q438-Q440 VanDerWaalsContact C-N 3.31Å; Q438-Q440 PolarHBondContact O-N 3.45Å |
| 441 | L | 54.7 | Low | 58.5 | Low | 129 Ų | 129 | 117.4 Ų | 117.4 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67 | -39.7 | 176.7 | -159.9 | 73.3 | 0 | 0 | 0 | 111.9 | S437 Q438 L439 K443 T444 | S437-L441 PolarHBondContact O-N 3Å; Q438-L441 WeakPolarHBondContact O-CB 3.5Å; Q438-L441 PolarHBondContact O-N 3.32Å; L439-L441 VanDerWaalsContact C-N 3.29Å; L439-L441 PolarHBondContact O-N 3.05Å; L441-K443 VanDerWaalsContact C-N 3.33Å; L441-K443 PolarHBondContact O-N 3.09Å; L441-T444 PolarHBondContact O-N 3.39Å; L441-T444 PolarHBondContact O-OG1 3.05Å |
| 442 | L | 53.3 | Low | 57.8 | Low | 130 Ų | 130 | 112.5 Ų | 112.5 | 68% | 0.681 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.4 | -29.5 | -177.9 | -163 | 73.3 | 0 | 0 | 0 | 113.3 | Q438 L439 T444 | Q438-L442 PolarHBondContact O-N 3.25Å; L439-L442 PolarHBondContact O-N 3.23Å; L442-T444 PolarHBondContact O-N 3.41Å |
| 443 | K | 51.6 | Low | 57.1 | Low | 168 Ų | 168 | 111.9 Ų | 111.9 | 73% | 0.73 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -9.8 | 177.6 | -87.3 | -177.6 | 174.4 | 179 | 0 | 114.4 | L441 | L441-K443 VanDerWaalsContact C-N 3.33Å; L441-K443 PolarHBondContact O-N 3.09Å |
| 444 | T | 50.5 | Low | 56.3 | Low | 101 Ų | 101 | 110.8 Ų | 110.8 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 6.8 | -173.6 | 60.7 | 0 | 0 | 0 | 0 | 115.2 | L441 L442 P446 | L441-T444 PolarHBondContact O-N 3.39Å; L441-T444 PolarHBondContact O-OG1 3.05Å; L442-T444 PolarHBondContact O-N 3.41Å; T444-P446 WeakPolarHBondContact O-CD 3.41Å |
| 445 | W | 46.9 | Very low | 55.7 | Low | 193 Ų | 193 | 110.8 Ų | 110.8 | 73% | 0.731 | 58% | 0.581 | S | S | * | * | trans | -74 | 121.7 | 179.6 | -95.9 | 52.3 | 0 | 0 | 0 | 113.5 | L447 | W445-L447 HydrophobicContact CE3-CD1 3.96Å; W445-L447 HydrophobicContact CZ3-CD1 4.46Å; W445-L447 PolarHBondContact O-N 3.48Å; W445-L447 VanDerWaalsContact O-N 3.15Å | ||
| 446 | P | 49.9 | Very low | 55 | Low | 83 Ų | 83 | 110.7 Ų | 110.7 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | trans | -91.9 | 61.2 | -174.1 | 37.2 | -34.1 | 0 | 0 | 0 | 112.4 | T444 F448 C450 | T444-P446 WeakPolarHBondContact O-CD 3.41Å; P446-F448 VanDerWaalsContact C-N 3.32Å; P446-C450 PolarHBondContact O-SG 3.07Å | ||
| 447 | L | 51.4 | Low | 54.7 | Low | 116 Ų | 116 | 110.5 Ų | 110.5 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -73.8 | -21.7 | 174.8 | -94.3 | 155.4 | 0 | 0 | 0 | 113.2 | W445 | W445-L447 HydrophobicContact CE3-CD1 3.96Å; W445-L447 HydrophobicContact CZ3-CD1 4.46Å; W445-L447 PolarHBondContact O-N 3.48Å; W445-L447 VanDerWaalsContact O-N 3.15Å |
| 448 | F | 48.4 | Very low | 54 | Low | 196 Ų | 196 | 113.3 Ų | 113.3 | 86% | 0.86 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -86.6 | -23.8 | 178.8 | -81.5 | -87.3 | 0 | 0 | 0 | 114.1 | P446 | P446-F448 VanDerWaalsContact C-N 3.32Å |
| 449 | S | 49.1 | Very low | 53.7 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 53% | 0.531 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -77.6 | -32.6 | -179 | -172.6 | 0 | 0 | 0 | 0 | 112.6 | C453 | S449-C453 PolarHBondContact O-SG 2.75Å |
| 450 | C | 50.3 | Low | 53.1 | Low | 74 Ų | 74 | 111.7 Ų | 111.7 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -75.7 | -28 | -173.9 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | P446 L454 | P446-C450 PolarHBondContact O-SG 3.07Å; C450-L454 PolarHBondContact O-N 2.96Å |
| 451 | I | 56.7 | Low | 53.1 | Low | 107 Ų | 107 | 113.1 Ų | 113.1 | 55% | 0.549 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75.7 | -39.6 | -178.1 | -64.1 | 169 | 0 | 0 | 0 | 111.3 | L455 | I451-L455 HydrophobicContact CG2-CD1 4.29Å; I451-L455 PolarHBondContact O-N 2.91Å |
| 452 | G | 53.8 | Low | 52.9 | Low | 36 Ų | 36 | 116.3 Ų | 116.3 | 37% | 0.371 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.3 | -37.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L456 | G452-L456 PolarHBondContact O-N 3.3Å; G452-L456 VanDerWaalsContact O-N 3.15Å |
| 453 | C | 54.3 | Low | 52.8 | Low | 70 Ų | 70 | 117.6 Ų | 117.6 | 47% | 0.473 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -70 | -35.5 | -178.8 | -66.5 | 0 | 0 | 0 | 0 | 113.5 | S449 L456 L457 | S449-C453 PolarHBondContact O-SG 2.75Å; C453-L456 PolarHBondContact O-N 3.08Å; C453-L457 WeakPolarHBondContact O-CG 3.46Å; C453-L457 PolarHBondContact O-N 3Å; C453-L457 VanDerWaalsContact O-N 3.12Å |
| 454 | L | 56.4 | Low | 52.5 | Low | 112 Ų | 112 | 117.5 Ų | 117.5 | 59% | 0.586 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.9 | -37.1 | 177.2 | -75.3 | 165.6 | 0 | 0 | 0 | 112.4 | C450 L457 L458 | C450-L454 PolarHBondContact O-N 2.96Å; L454-L457 PolarHBondContact O-N 3.3Å; L454-L458 PolarHBondContact O-N 3.5Å |
| 455 | L | 56.5 | Low | 52.2 | Low | 107 Ų | 107 | 119.7 Ų | 119.7 | 56% | 0.56 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.8 | -36.7 | 174.6 | -86.6 | 155.7 | 0 | 0 | 0 | 112.4 | I451 L459 | I451-L455 HydrophobicContact CG2-CD1 4.29Å; I451-L455 PolarHBondContact O-N 2.91Å; L455-L459 PolarHBondContact O-N 3.05Å; L455-L459 VanDerWaalsContact O-N 3.16Å |
| 456 | L | 56.3 | Low | 52 | Low | 113 Ų | 113 | 120.5 Ų | 120.5 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.4 | -38.9 | 176.2 | -95.3 | 147.3 | 0 | 0 | 0 | 112.7 | G452 C453 L459 C460 | G452-L456 PolarHBondContact O-N 3.3Å; G452-L456 VanDerWaalsContact O-N 3.15Å; C453-L456 PolarHBondContact O-N 3.08Å; L456-L459 PolarHBondContact O-N 3Å; L456-C460 WeakPolarHBondContact O-CB 3.44Å; L456-C460 PolarHBondContact O-N 2.86Å; L456-C460 PolarHBondContact O-SG 3.38Å; L456-C460 VanDerWaalsContact O-SG 3.34Å |
| 457 | L | 57.4 | Low | 51.3 | Low | 116 Ų | 116 | 121.7 Ų | 121.7 | 61% | 0.607 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.5 | -41.7 | 176.4 | -78.3 | 164.1 | 0 | 0 | 0 | 112.3 | C453 L454 C460 E461 | C453-L457 WeakPolarHBondContact O-CG 3.46Å; C453-L457 PolarHBondContact O-N 3Å; C453-L457 VanDerWaalsContact O-N 3.12Å; L454-L457 PolarHBondContact O-N 3.3Å; L457-C460 PolarHBondContact O-N 3.45Å; L457-E461 PolarHBondContact O-N 2.98Å; L457-E461 VanDerWaalsContact O-N 3.12Å |
| 458 | L | 55.8 | Low | 50.8 | Low | 117 Ų | 117 | 125.7 Ų | 125.7 | 61% | 0.613 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.5 | -34.8 | 178.6 | -77.2 | 162 | 0 | 0 | 0 | 113.1 | L454 W462 | L454-L458 PolarHBondContact O-N 3.5Å; L458-W462 PolarHBondContact O-N 3.44Å |
| 459 | L | 56.2 | Low | 50.4 | Low | 114 Ų | 114 | 121.3 Ų | 121.3 | 60% | 0.597 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.4 | -33.7 | 173.7 | -84.6 | 160.1 | 0 | 0 | 0 | 112.3 | L455 L456 H463 | L455-L459 PolarHBondContact O-N 3.05Å; L455-L459 VanDerWaalsContact O-N 3.16Å; L456-L459 PolarHBondContact O-N 3Å; L459-H463 PolarHBondContact O-N 3.44Å |
| 460 | C | 51.8 | Low | 50 | Low | 73 Ų | 73 | 123.6 Ų | 123.6 | 49% | 0.493 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.2 | -40.1 | 176.8 | -77.3 | 0 | 0 | 0 | 0 | 112.7 | L456 L457 W462 H463 | L456-C460 WeakPolarHBondContact O-CB 3.44Å; L456-C460 PolarHBondContact O-N 2.86Å; L456-C460 PolarHBondContact O-SG 3.38Å; L456-C460 VanDerWaalsContact O-SG 3.34Å; L457-C460 PolarHBondContact O-N 3.45Å; C460-W462 VanDerWaalsContact C-N 3.35Å; C460-W462 PolarHBondContact O-N 2.87Å; C460-H463 PolarHBondContact O-N 3.31Å |
| 461 | E | 53.1 | Low | 49.9 | Very low | 144 Ų | 144 | 127 Ų | 127 | 67% | 0.673 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -66 | -35 | 175.6 | -87.2 | -178 | 152.2 | 0 | 0 | 112.9 | L457 H463 Q464 | L457-E461 PolarHBondContact O-N 2.98Å; L457-E461 VanDerWaalsContact O-N 3.12Å; E461-H463 PolarHBondContact O-N 3.43Å; E461-Q464 PolarHBondContact O-N 2.74Å |
| 462 | W | 51.4 | Low | 49.3 | Very low | 196 Ų | 196 | 130.1 Ų | 130.1 | 74% | 0.742 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -65.4 | -36.6 | 178.3 | -174.1 | 81.4 | 0 | 0 | 0 | 113.1 | L458 C460 Q464 | L458-W462 PolarHBondContact O-N 3.44Å; C460-W462 VanDerWaalsContact C-N 3.35Å; C460-W462 PolarHBondContact O-N 2.87Å; W462-Q464 VanDerWaalsContact C-N 3.26Å; W462-Q464 PolarHBondContact O-N 3.43Å |
| 463 | H | 51.2 | Low | 48.9 | Very low | 157 Ų | 157 | 137.6 Ų | 137.6 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -78 | -11.4 | -176.4 | -155.1 | -76.2 | 0 | 0 | 0 | 113.4 | L459 C460 E461 | L459-H463 PolarHBondContact O-N 3.44Å; C460-H463 PolarHBondContact O-N 3.31Å; E461-H463 PolarHBondContact O-N 3.43Å |
| 464 | Q | 46.1 | Very low | 48.6 | Very low | 167 Ų | 167 | 142.7 Ų | 142.7 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -101.5 | -8.3 | -171.6 | -139.1 | 152.1 | -0.5 | 0 | 0 | 114.3 | E461 W462 | E461-Q464 PolarHBondContact O-N 2.74Å; W462-Q464 VanDerWaalsContact C-N 3.26Å; W462-Q464 PolarHBondContact O-N 3.43Å |
| 465 | N | 43.6 | Very low | 48.2 | Very low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | trans | -118.1 | 89.5 | -177.1 | -125.9 | -3.8 | 0 | 0 | 0 | 111.8 | ||||
| 466 | K | 41.3 | Very low | 48 | Very low | 209 Ų | 209 | 147.3 Ų | 147.3 | 91% | 0.909 | 73% | 0.725 | S | S | * | * | trans | -114.7 | 80.6 | 178.2 | -150 | 178.2 | -167.5 | 176.7 | 0 | 109.6 | ||||
| 467 | S | 37.1 | Very low | 47.7 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 72% | 0.722 | S | S | * | * | trans | -154.6 | 135.5 | 157.4 | 68.6 | 0 | 0 | 0 | 0 | 111.2 | S469 | S467-S469 PolarHBondContact O-N 3.43Š| ||
| 468 | E | 39.7 | Very low | 47.4 | Very low | 200 Ų | 200 | 145.6 Ų | 145.6 | 94% | 0.935 | 72% | 0.717 | S | S | * | * | trans | -63.6 | 117.4 | -173.2 | -65.3 | 159.1 | 139.9 | 0 | 0 | 113.5 | ||||
| 469 | S | 39.9 | Very low | 47.3 | Very low | 105 Ų | 105 | 141.8 Ų | 141.8 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | -161.1 | 92.6 | 134.1 | 77.8 | 0 | 0 | 0 | 0 | 110.8 | S467 | S467-S469 PolarHBondContact O-N 3.43Š| ||
| 470 | T | 42.2 | Very low | 47 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | 34.3 | 115.1 | 137.9 | 53.4 | 0 | 0 | 0 | 0 | 120.9 | E472 | T470-E472 PolarHBondContact O-N 2.93Š| ||
| 471 | N | 46.7 | Very low | 47 | Very low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 70% | 0.702 | S | S | * | * | S | Bend | 77.1 | -3 | 125.4 | -96.7 | -4.8 | 0 | 0 | 0 | 123.1 | |||
| 472 | E | 43.9 | Very low | 46.8 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -103.7 | -18.7 | 175.8 | -145 | 165.4 | -171 | 0 | 0 | 113.9 | T470 | T470-E472 PolarHBondContact O-N 2.93Š|
| 473 | Y | 46.4 | Very low | 46.8 | Very low | 193 Ų | 193 | 135.8 Ų | 135.8 | 76% | 0.757 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -83.2 | -20.7 | 177.4 | -127.8 | -100.9 | 0 | 0 | 0 | 113.8 | L477 | Y473-L477 HydrophobicContact CD1-CD1 3.85Å; Y473-L477 HydrophobicContact CE1-CD1 3.96Å; Y473-L477 PolarHBondContact O-N 3.29Å |
| 474 | Y | 48.2 | Very low | 46.9 | Very low | 178 Ų | 178 | 135.5 Ų | 135.5 | 70% | 0.698 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.1 | -32.5 | -179.7 | -107.1 | -90.7 | 0 | 0 | 0 | 112.4 | L478 | Y474-L478 WeakPolarHBondContact O-CB 3.42Å; Y474-L478 PolarHBondContact O-N 3.11Å |
| 475 | F | 48.4 | Very low | 47.1 | Very low | 182 Ų | 182 | 132 Ų | 132 | 80% | 0.798 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -77.9 | -34 | -176.9 | -134.1 | -87.1 | 0 | 0 | 0 | 112.8 | G479 | F475-G479 PolarHBondContact O-N 2.75Å |
| 476 | L | 51.6 | Low | 47.7 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 70% | 0.696 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.1 | -35.8 | 173.3 | -109.3 | 82.8 | 0 | 0 | 0 | 112.6 | C480 | L476-C480 PolarHBondContact O-N 3.22Å; L476-C480 VanDerWaalsContact O-N 3.1Å; L476-C480 PolarHBondContact O-SG 3.06Å |
| 477 | L | 49.5 | Very low | 48.4 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 52% | 0.518 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -70.6 | -37.3 | 176 | -121.6 | 91.8 | 0 | 0 | 0 | 112.3 | Y473 L481 | Y473-L477 HydrophobicContact CD1-CD1 3.85Å; Y473-L477 HydrophobicContact CE1-CD1 3.96Å; Y473-L477 PolarHBondContact O-N 3.29Å; L477-L481 WeakPolarHBondContact O-CB 3.5Å; L477-L481 PolarHBondContact O-N 3.39Å |
| 478 | L | 51.8 | Low | 49.2 | Very low | 95 Ų | 95 | 125.5 Ų | 125.5 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.8 | -40.4 | 176.3 | -140.2 | 78.8 | 0 | 0 | 0 | 111.1 | Y474 L481 E482 | Y474-L478 WeakPolarHBondContact O-CB 3.42Å; Y474-L478 PolarHBondContact O-N 3.11Å; L478-L481 PolarHBondContact O-N 3.34Å; L478-E482 WeakPolarHBondContact O-CB 3.26Å; L478-E482 WeakPolarHBondContact O-CG 3.35Å; L478-E482 PolarHBondContact O-N 2.94Å |
| 479 | G | 53.3 | Low | 49.9 | Very low | 36 Ų | 36 | 120.5 Ų | 120.5 | 37% | 0.371 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.6 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F475 E482 E483 | F475-G479 PolarHBondContact O-N 2.75Å; G479-E482 PolarHBondContact O-N 3.36Å; G479-E483 PolarHBondContact O-N 2.82Å |
| 480 | C | 50.4 | Low | 50.7 | Low | 85 Ų | 85 | 121.8 Ų | 121.8 | 57% | 0.574 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.1 | -35.2 | 175.9 | -72.2 | 0 | 0 | 0 | 0 | 112.6 | L476 F484 | L476-C480 PolarHBondContact O-N 3.22Å; L476-C480 VanDerWaalsContact O-N 3.1Å; L476-C480 PolarHBondContact O-SG 3.06Å; C480-F484 VanDerWaalsContact O-CB 3.24Å; C480-F484 WeakPolarHBondContact O-CB 3.44Å; C480-F484 PolarHBondContact O-N 3.46Å |
| 481 | L | 50.6 | Low | 51.4 | Low | 86 Ų | 86 | 118.3 Ų | 118.3 | 45% | 0.45 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.4 | -41.5 | 171.8 | -93.7 | 152.2 | 0 | 0 | 0 | 111.4 | L477 L478 F484 H485 | L477-L481 WeakPolarHBondContact O-CB 3.5Å; L477-L481 PolarHBondContact O-N 3.39Å; L478-L481 PolarHBondContact O-N 3.34Å; L481-F484 PolarHBondContact O-N 2.66Å; L481-H485 WeakPolarHBondContact O-CA 3.44Å; L481-H485 WeakPolarHBondContact O-CB 3.43Å; L481-H485 PolarHBondContact O-CD2 3.47Å; L481-H485 PolarHBondContact O-N 2.86Å |
| 482 | E | 49.8 | Very low | 51.8 | Low | 117 Ų | 117 | 114.7 Ų | 114.7 | 55% | 0.547 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.5 | -39.2 | 178.3 | -78.3 | 178.4 | 173.1 | 0 | 0 | 112.4 | L478 G479 H485 L486 | L478-E482 WeakPolarHBondContact O-CB 3.26Å; L478-E482 WeakPolarHBondContact O-CG 3.35Å; L478-E482 PolarHBondContact O-N 2.94Å; G479-E482 PolarHBondContact O-N 3.36Å; E482-H485 PolarHBondContact O-N 3.11Å; E482-L486 WeakPolarHBondContact O-CB 3.32Å; E482-L486 WeakPolarHBondContact O-CG 3.4Å; E482-L486 PolarHBondContact O-N 3.22Å |
| 483 | E | 51 | Low | 52.5 | Low | 113 Ų | 113 | 110.8 Ų | 110.8 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70.5 | -37.2 | 175.3 | -157 | -172.9 | 155.7 | 0 | 0 | 112.1 | G479 K487 | G479-E483 PolarHBondContact O-N 2.82Å; E483-K487 PolarHBondContact O-N 3.46Å; E483-K487 IonicContact OE1-NZ 3.19Å; E483-K487 PolarHBondContact OE1-NZ 3.36Å |
| 484 | F | 53.7 | Low | 53.3 | Low | 152 Ų | 152 | 105.5 Ų | 105.5 | 67% | 0.667 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71 | -37.5 | 174.2 | -156.7 | -92 | 0 | 0 | 0 | 111.6 | C480 L481 M488 | C480-F484 VanDerWaalsContact O-CB 3.24Å; C480-F484 WeakPolarHBondContact O-CB 3.44Å; C480-F484 PolarHBondContact O-N 3.46Å; L481-F484 PolarHBondContact O-N 2.66Å; F484-M488 WeakPolarHBondContact O-CB 3.25Å; F484-M488 PolarHBondContact O-N 2.98Å |
| 485 | H | 50.4 | Low | 53.7 | Low | 93 Ų | 93 | 101.4 Ų | 101.4 | 43% | 0.431 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 173.9 | -89.7 | -79.4 | 0 | 0 | 0 | 111.5 | L481 E482 M488 L489 | L481-H485 WeakPolarHBondContact O-CA 3.44Å; L481-H485 WeakPolarHBondContact O-CB 3.43Å; L481-H485 PolarHBondContact O-CD2 3.47Å; L481-H485 PolarHBondContact O-N 2.86Å; E482-H485 PolarHBondContact O-N 3.11Å; H485-M488 PolarHBondContact O-N 3.4Å; H485-L489 WeakPolarHBondContact O-CB 3.38Å; H485-L489 WeakPolarHBondContact O-CD1 3.35Å; H485-L489 PolarHBondContact O-N 3.1Å |
| 486 | L | 55.9 | Low | 54 | Low | 120 Ų | 120 | 100.5 Ų | 100.5 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.1 | -46.5 | 173.9 | -86.2 | 159.1 | 0 | 0 | 0 | 111.6 | E482 M488 L489 E490 | E482-L486 WeakPolarHBondContact O-CB 3.32Å; E482-L486 WeakPolarHBondContact O-CG 3.4Å; E482-L486 PolarHBondContact O-N 3.22Å; L486-M488 VanDerWaalsContact C-N 3.33Å; L486-M488 PolarHBondContact O-N 3.48Å; L486-L489 PolarHBondContact O-N 2.78Å; L486-E490 WeakPolarHBondContact O-CB 3.45Å; L486-E490 PolarHBondContact O-N 2.9Å |
| 487 | K | 56.3 | Low | 54.1 | Low | 122 Ų | 122 | 100.3 Ų | 100.3 | 53% | 0.53 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.3 | -34.4 | 174.8 | -76.7 | 175.5 | -174 | 154.1 | 0 | 112.6 | E483 E490 S491 | E483-K487 PolarHBondContact O-N 3.46Å; E483-K487 IonicContact OE1-NZ 3.19Å; E483-K487 PolarHBondContact OE1-NZ 3.36Å; K487-E490 PolarHBondContact O-N 3.49Å; K487-S491 WeakPolarHBondContact O-CB 3.47Å; K487-S491 PolarHBondContact O-N 2.89Å; K487-S491 PolarHBondContact O-OG 3.48Å |
| 488 | M | 53.7 | Low | 54.4 | Low | 85 Ų | 85 | 104.5 Ų | 104.5 | 42% | 0.419 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.9 | -39.4 | 176 | -156.4 | -93.2 | -70.3 | 0 | 0 | 110.6 | F484 H485 L486 S491 V492 | F484-M488 WeakPolarHBondContact O-CB 3.25Å; F484-M488 PolarHBondContact O-N 2.98Å; H485-M488 PolarHBondContact O-N 3.4Å; L486-M488 VanDerWaalsContact C-N 3.33Å; L486-M488 PolarHBondContact O-N 3.48Å; M488-S491 WeakPolarHBondContact CA-OG 3.47Å; M488-S491 CarbonylContact O-C 3.59Å; M488-S491 PolarHBondContact O-N 2.91Å; M488-S491 PolarHBondContact O-OG 3.19Å; M488-V492 VanDerWaalsContact O-CB 3.28Å; M488-V492 WeakPolarHBondContact O-CB 3.29Å; M488-V492 WeakPolarHBondContact O-CG2 3.37Å; M488-V492 PolarHBondContact O-N 2.92Å; M488-V492 HydrophobicContact SD-CG2 3.66Å |
| 489 | L | 53.8 | Low | 54.5 | Low | 96 Ų | 96 | 104.4 Ų | 104.4 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 170 | -101 | 137.1 | 0 | 0 | 0 | 111.9 | H485 L486 V492 I493 | H485-L489 WeakPolarHBondContact O-CB 3.38Å; H485-L489 WeakPolarHBondContact O-CD1 3.35Å; H485-L489 PolarHBondContact O-N 3.1Å; L486-L489 PolarHBondContact O-N 2.78Å; L489-V492 CarbonylContact O-C 3.58Å; L489-V492 PolarHBondContact O-N 3.41Å; L489-I493 VanDerWaalsContact O-CB 3.32Å; L489-I493 WeakPolarHBondContact O-CB 3.37Å; L489-I493 WeakPolarHBondContact O-CD1 3.38Å; L489-I493 WeakPolarHBondContact O-CG1 3.37Å; L489-I493 PolarHBondContact O-N 3.45Å |
| 490 | E | 56.1 | Low | 54 | Low | 131 Ų | 131 | 110.2 Ų | 110.2 | 61% | 0.612 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.4 | -41.3 | 176.1 | -153.4 | 170.5 | -150 | 0 | 0 | 110.7 | L486 K487 V492 I493 V494 | L486-E490 WeakPolarHBondContact O-CB 3.45Å; L486-E490 PolarHBondContact O-N 2.9Å; K487-E490 PolarHBondContact O-N 3.49Å; E490-V492 PolarHBondContact O-N 3.26Å; E490-I493 PolarHBondContact O-N 2.8Å; E490-V494 WeakPolarHBondContact O-CB 3.45Å; E490-V494 VanDerWaalsContact O-CG2 3.27Å; E490-V494 WeakPolarHBondContact O-CG2 3.44Å; E490-V494 PolarHBondContact O-N 3.19Å |
| 491 | S | 56.8 | Low | 54.2 | Low | 51 Ų | 51 | 110.1 Ų | 110.1 | 36% | 0.357 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.7 | -36.7 | 172.8 | 79.9 | 0 | 0 | 0 | 0 | 112.7 | K487 M488 V494 I495 | K487-S491 WeakPolarHBondContact O-CB 3.47Å; K487-S491 PolarHBondContact O-N 2.89Å; K487-S491 PolarHBondContact O-OG 3.48Å; M488-S491 WeakPolarHBondContact CA-OG 3.47Å; M488-S491 CarbonylContact O-C 3.59Å; M488-S491 PolarHBondContact O-N 2.91Å; M488-S491 PolarHBondContact O-OG 3.19Å; S491-V494 PolarHBondContact O-N 2.84Å; S491-I495 VanDerWaalsContact O-CB 3.29Å; S491-I495 WeakPolarHBondContact O-CB 3.28Å; S491-I495 WeakPolarHBondContact O-CD1 3.18Å; S491-I495 WeakPolarHBondContact O-CG1 3.47Å; S491-I495 PolarHBondContact O-N 3.2Å |
| 492 | V | 55.6 | Low | 54.2 | Low | 69 Ų | 69 | 111.2 Ų | 111.2 | 42% | 0.418 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.6 | -33.7 | 176.9 | 167.6 | 0 | 0 | 0 | 0 | 110.7 | M488 L489 E490 I495 R496 | M488-V492 VanDerWaalsContact O-CB 3.28Å; M488-V492 WeakPolarHBondContact O-CB 3.29Å; M488-V492 WeakPolarHBondContact O-CG2 3.37Å; M488-V492 PolarHBondContact O-N 2.92Å; M488-V492 HydrophobicContact SD-CG2 3.66Å; L489-V492 CarbonylContact O-C 3.58Å; L489-V492 PolarHBondContact O-N 3.41Å; E490-V492 PolarHBondContact O-N 3.26Å; V492-I495 PolarHBondContact O-N 3.11Å; V492-R496 WeakPolarHBondContact O-CB 3.39Å; V492-R496 PolarHBondContact O-N 2.98Å |
| 493 | I | 58.2 | Low | 54.2 | Low | 90 Ų | 90 | 109.9 Ų | 109.9 | 46% | 0.462 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67 | -44.9 | 171.7 | -71.5 | 162.6 | 0 | 0 | 0 | 109.6 | L489 E490 I495 R496 Q497 | L489-I493 VanDerWaalsContact O-CB 3.32Å; L489-I493 WeakPolarHBondContact O-CB 3.37Å; L489-I493 WeakPolarHBondContact O-CD1 3.38Å; L489-I493 WeakPolarHBondContact O-CG1 3.37Å; L489-I493 PolarHBondContact O-N 3.45Å; E490-I493 PolarHBondContact O-N 2.8Å; I493-I495 PolarHBondContact O-N 3.42Å; I493-R496 PolarHBondContact O-N 3.49Å; I493-Q497 WeakPolarHBondContact O-CB 3.49Å; I493-Q497 PolarHBondContact O-N 2.89Å |
| 494 | V | 63.7 | Low | 54 | Low | 82 Ų | 82 | 110.2 Ų | 110.2 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 174.2 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | E490 S491 Q497 R498 | E490-V494 WeakPolarHBondContact O-CB 3.45Å; E490-V494 VanDerWaalsContact O-CG2 3.27Å; E490-V494 WeakPolarHBondContact O-CG2 3.44Å; E490-V494 PolarHBondContact O-N 3.19Å; S491-V494 PolarHBondContact O-N 2.84Å; V494-Q497 PolarHBondContact O-N 3.26Å; V494-R498 VanDerWaalsContact O-CB 3.28Å; V494-R498 WeakPolarHBondContact O-CB 3.49Å; V494-R498 PolarHBondContact O-N 2.93Å |
| 495 | I | 58.2 | Low | 53.9 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | 175 | -71.1 | 163.3 | 0 | 0 | 0 | 110.6 | S491 V492 I493 R498 I499 | S491-I495 VanDerWaalsContact O-CB 3.29Å; S491-I495 WeakPolarHBondContact O-CB 3.28Å; S491-I495 WeakPolarHBondContact O-CD1 3.18Å; S491-I495 WeakPolarHBondContact O-CG1 3.47Å; S491-I495 PolarHBondContact O-N 3.2Å; V492-I495 PolarHBondContact O-N 3.11Å; I493-I495 PolarHBondContact O-N 3.42Å; I495-R498 CarbonylContact O-C 3.59Å; I495-R498 WeakPolarHBondContact O-CB 3.47Å; I495-R498 PolarHBondContact O-N 3.35Å; I495-I499 HydrophobicContact CG2-CD1 3.7Å; I495-I499 HydrophobicContact CG2-CG1 4.34Å; I495-I499 WeakPolarHBondContact O-CB 3.38Å; I495-I499 VanDerWaalsContact O-CG1 3.23Å; I495-I499 WeakPolarHBondContact O-CG1 3.37Å; I495-I499 PolarHBondContact O-N 2.86Å |
| 496 | R | 53.6 | Low | 53.8 | Low | 164 Ų | 164 | 104.4 Ų | 104.4 | 62% | 0.619 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.3 | -39 | 176.3 | -173.9 | 179.2 | 173.8 | -164.1 | -2 | 111.8 | V492 I493 R498 I499 Y500 | V492-R496 WeakPolarHBondContact O-CB 3.39Å; V492-R496 PolarHBondContact O-N 2.98Å; I493-R496 PolarHBondContact O-N 3.49Å; R496-R498 VanDerWaalsContact C-N 3.34Å; R496-I499 PolarHBondContact O-N 2.92Å; R496-Y500 HydrophobicContact CG-CD2 4.48Å; R496-Y500 WeakPolarHBondContact O-CB 3.4Å; R496-Y500 PolarHBondContact O-N 2.96Å |
| 497 | Q | 53.5 | Low | 53.3 | Low | 128 Ų | 128 | 102.5 Ų | 102.5 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.8 | -36.9 | 171.3 | -115.2 | 155.6 | -16.3 | 0 | 0 | 111.4 | I493 V494 S501 | I493-Q497 WeakPolarHBondContact O-CB 3.49Å; I493-Q497 PolarHBondContact O-N 2.89Å; V494-Q497 PolarHBondContact O-N 3.26Å; Q497-S501 WeakPolarHBondContact O-CB 3.44Å; Q497-S501 PolarHBondContact O-N 2.97Å; Q497-S501 PolarHBondContact O-OG 3.5Å |
| 498 | R | 56.5 | Low | 53 | Low | 187 Ų | 187 | 103.9 Ų | 103.9 | 71% | 0.706 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.5 | -36.9 | 174.4 | -154.8 | 171.4 | -149.5 | 160.2 | 5.6 | 112.2 | V494 I495 R496 S501 N502 | V494-R498 VanDerWaalsContact O-CB 3.28Å; V494-R498 WeakPolarHBondContact O-CB 3.49Å; V494-R498 PolarHBondContact O-N 2.93Å; I495-R498 CarbonylContact O-C 3.59Å; I495-R498 WeakPolarHBondContact O-CB 3.47Å; I495-R498 PolarHBondContact O-N 3.35Å; R496-R498 VanDerWaalsContact C-N 3.34Å; R498-S501 PolarHBondContact O-N 3.42Å; R498-N502 WeakPolarHBondContact O-CB 3.46Å; R498-N502 PolarHBondContact O-N 3.43Å |
| 499 | I | 53.3 | Low | 53 | Low | 94 Ų | 94 | 103.6 Ų | 103.6 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.2 | -42.5 | 175.4 | -69 | 166.8 | 0 | 0 | 0 | 111 | I495 R496 S501 N502 V503 | I495-I499 HydrophobicContact CG2-CD1 3.7Å; I495-I499 HydrophobicContact CG2-CG1 4.34Å; I495-I499 WeakPolarHBondContact O-CB 3.38Å; I495-I499 VanDerWaalsContact O-CG1 3.23Å; I495-I499 WeakPolarHBondContact O-CG1 3.37Å; I495-I499 PolarHBondContact O-N 2.86Å; R496-I499 PolarHBondContact O-N 2.92Å; I499-S501 VanDerWaalsContact C-N 3.28Å; I499-S501 PolarHBondContact O-N 3.21Å; I499-N502 PolarHBondContact O-N 3.08Å; I499-N502 VanDerWaalsContact O-N 3.13Å; I499-V503 HydrophobicContact CG2-CG2 4.25Å; I499-V503 VanDerWaalsContact O-CG2 3.31Å; I499-V503 WeakPolarHBondContact O-CG2 3.5Å; I499-V503 PolarHBondContact O-N 3.27Å |
| 500 | Y | 43.7 | Very low | 52.8 | Low | 158 Ų | 158 | 104.9 Ų | 104.9 | 62% | 0.62 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63 | -34.7 | 173.3 | -107.6 | -91 | 0 | 0 | 0 | 112.1 | R496 N504 | R496-Y500 HydrophobicContact CG-CD2 4.48Å; R496-Y500 WeakPolarHBondContact O-CB 3.4Å; R496-Y500 PolarHBondContact O-N 2.96Å; Y500-N504 PolarHBondContact O-N 2.93Å |
| 501 | S | 53.2 | Low | 52.8 | Low | 82 Ų | 82 | 101.5 Ų | 101.5 | 57% | 0.573 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.1 | -35.4 | 171.8 | -52 | 0 | 0 | 0 | 0 | 112.6 | Q497 R498 I499 G505 | Q497-S501 WeakPolarHBondContact O-CB 3.44Å; Q497-S501 PolarHBondContact O-N 2.97Å; Q497-S501 PolarHBondContact O-OG 3.5Å; R498-S501 PolarHBondContact O-N 3.42Å; I499-S501 VanDerWaalsContact C-N 3.28Å; I499-S501 PolarHBondContact O-N 3.21Å; S501-G505 PolarHBondContact O-N 2.88Å |
| 502 | N | 50.9 | Low | 52.9 | Low | 110 Ų | 110 | 101.9 Ų | 101.9 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.5 | -33.3 | 177.1 | -120.8 | -2.2 | 0 | 0 | 0 | 112.8 | R498 I499 G505 N506 | R498-N502 WeakPolarHBondContact O-CB 3.46Å; R498-N502 PolarHBondContact O-N 3.43Å; I499-N502 PolarHBondContact O-N 3.08Å; I499-N502 VanDerWaalsContact O-N 3.13Å; N502-G505 CarbonylContact O-C 3.56Å; N502-G505 PolarHBondContact O-N 3.41Å; N502-N506 PolarHBondContact O-N 3.45Å |
| 503 | V | 49.9 | Very low | 52.9 | Low | 88 Ų | 88 | 101.7 Ų | 101.7 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.7 | -35.7 | 176.1 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | I499 G505 N506 | I499-V503 HydrophobicContact CG2-CG2 4.25Å; I499-V503 VanDerWaalsContact O-CG2 3.31Å; I499-V503 WeakPolarHBondContact O-CG2 3.5Å; I499-V503 PolarHBondContact O-N 3.27Å; V503-G505 VanDerWaalsContact C-N 3.34Å; V503-N506 PolarHBondContact O-N 3.41Å |
| 504 | N | 47.4 | Very low | 52.8 | Low | 121 Ų | 121 | 102.5 Ų | 102.5 | 65% | 0.647 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -73.8 | -22.9 | 167.3 | -86.4 | 5 | 0 | 0 | 0 | 113.3 | Y500 N506 S507 | Y500-N504 PolarHBondContact O-N 2.93Å; N504-N506 VanDerWaalsContact C-N 3.35Å; N504-S507 PolarHBondContact O-OG 2.97Å |
| 505 | G | 51.6 | Low | 53 | Low | 26 Ų | 26 | 105 Ų | 105 | 27% | 0.268 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.8 | -27.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113 | S501 N502 V503 F508 T509 | S501-G505 PolarHBondContact O-N 2.88Å; N502-G505 CarbonylContact O-C 3.56Å; N502-G505 PolarHBondContact O-N 3.41Å; V503-G505 VanDerWaalsContact C-N 3.34Å; G505-F508 PolarHBondContact O-N 2.87Å; G505-T509 WeakPolarHBondContact O-CG2 3.43Å; G505-T509 PolarHBondContact O-N 3.35Å; G505-T509 PolarHBondContact O-OG1 2.87Å |
| 506 | N | 47.3 | Very low | 53.3 | Low | 96 Ų | 96 | 106.2 Ų | 106.2 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -72.2 | -24.6 | 179.3 | -87.1 | -4.5 | 0 | 0 | 0 | 114.5 | N502 V503 N504 F508 T509 Q510 | N502-N506 PolarHBondContact O-N 3.45Å; V503-N506 PolarHBondContact O-N 3.41Å; N504-N506 VanDerWaalsContact C-N 3.35Å; N506-F508 VanDerWaalsContact C-N 3.34Å; N506-T509 VanDerWaalsContact CA-OG1 3.3Å; N506-T509 WeakPolarHBondContact CA-OG1 3.38Å; N506-T509 PolarHBondContact O-OG1 2.94Å; N506-T509 PolarHBondContact OD1-OG1 3.42Å; N506-Q510 WeakPolarHBondContact O-CB 3.4Å; N506-Q510 PolarHBondContact O-N 3.34Å |
| 507 | S | 46.3 | Very low | 53.7 | Low | 81 Ų | 81 | 104.2 Ų | 104.2 | 57% | 0.566 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.5 | -30.4 | 170.2 | 62 | 0 | 0 | 0 | 0 | 112 | N504 S511 | N504-S507 PolarHBondContact O-OG 2.97Å; S507-S511 PolarHBondContact O-N 3Å |
| 508 | F | 49.8 | Very low | 54.5 | Low | 150 Ų | 150 | 102.8 Ų | 102.8 | 66% | 0.658 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -80.4 | -37.6 | 176.1 | -149.2 | -94.2 | 0 | 0 | 0 | 112.1 | G505 N506 S511 V512 | G505-F508 PolarHBondContact O-N 2.87Å; N506-F508 VanDerWaalsContact C-N 3.34Å; F508-S511 PolarHBondContact O-N 2.83Å; F508-S511 PolarHBondContact O-OG 3.05Å; F508-V512 HydrophobicContact CD1-CG2 4.15Å; F508-V512 HydrophobicContact CE1-CG2 4.29Å; F508-V512 WeakPolarHBondContact O-CB 3.34Å; F508-V512 WeakPolarHBondContact O-CG2 3.35Å; F508-V512 PolarHBondContact O-N 3.45Å |
| 509 | T | 53.2 | Low | 55.3 | Low | 80 Ų | 80 | 99 Ų | 99 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.9 | -29.6 | 174.8 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | G505 N506 C513 | G505-T509 WeakPolarHBondContact O-CG2 3.43Å; G505-T509 PolarHBondContact O-N 3.35Å; G505-T509 PolarHBondContact O-OG1 2.87Å; N506-T509 VanDerWaalsContact CA-OG1 3.3Å; N506-T509 WeakPolarHBondContact CA-OG1 3.38Å; N506-T509 PolarHBondContact O-OG1 2.94Å; N506-T509 PolarHBondContact OD1-OG1 3.42Å; T509-C513 WeakPolarHBondContact O-CB 3.42Å; T509-C513 PolarHBondContact O-N 3.12Å |
| 510 | Q | 50.4 | Low | 56.2 | Low | 123 Ų | 123 | 101.5 Ų | 101.5 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.9 | -39.3 | 171.9 | -169.7 | 158.4 | -12.4 | 0 | 0 | 112.1 | N506 C513 E514 | N506-Q510 WeakPolarHBondContact O-CB 3.4Å; N506-Q510 PolarHBondContact O-N 3.34Å; Q510-C513 PolarHBondContact O-N 3.11Å; Q510-E514 WeakPolarHBondContact O-CB 3.35Å; Q510-E514 WeakPolarHBondContact O-CG 3.47Å; Q510-E514 PolarHBondContact O-N 2.9Å |
| 511 | S | 55.7 | Low | 57.6 | Low | 60 Ų | 60 | 101.2 Ų | 101.2 | 42% | 0.42 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.6 | -34 | 173.5 | 96 | 0 | 0 | 0 | 0 | 112.7 | S507 F508 K515 | S507-S511 PolarHBondContact O-N 3Å; F508-S511 PolarHBondContact O-N 2.83Å; F508-S511 PolarHBondContact O-OG 3.05Å; S511-K515 WeakPolarHBondContact O-CB 3.39Å; S511-K515 PolarHBondContact O-N 2.95Å |
| 512 | V | 58.4 | Low | 58.8 | Low | 59 Ų | 59 | 101.5 Ų | 101.5 | 36% | 0.358 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.9 | -38.3 | 173.5 | 170.4 | 0 | 0 | 0 | 0 | 111 | F508 K515 Q516 | F508-V512 HydrophobicContact CD1-CG2 4.15Å; F508-V512 HydrophobicContact CE1-CG2 4.29Å; F508-V512 WeakPolarHBondContact O-CB 3.34Å; F508-V512 WeakPolarHBondContact O-CG2 3.35Å; F508-V512 PolarHBondContact O-N 3.45Å; V512-K515 PolarHBondContact O-N 3.36Å; V512-Q516 HydrophobicContact CG1-CG 4.42Å; V512-Q516 VanDerWaalsContact O-CB 3.29Å; V512-Q516 WeakPolarHBondContact O-CB 3.36Å; V512-Q516 VanDerWaalsContact O-CG 3.31Å; V512-Q516 WeakPolarHBondContact O-CG 3.23Å; V512-Q516 PolarHBondContact O-N 3.26Å |
| 513 | C | 56.4 | Low | 60.4 | Low | 64 Ų | 64 | 101 Ų | 101 | 43% | 0.432 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.5 | -38 | 176.4 | -165.2 | 0 | 0 | 0 | 0 | 112.1 | T509 Q510 Q517 | T509-C513 WeakPolarHBondContact O-CB 3.42Å; T509-C513 PolarHBondContact O-N 3.12Å; Q510-C513 PolarHBondContact O-N 3.11Å; C513-Q517 WeakPolarHBondContact O-CB 3.33Å; C513-Q517 VanDerWaalsContact O-CG 3.3Å; C513-Q517 WeakPolarHBondContact O-CG 3.45Å; C513-Q517 PolarHBondContact O-N 3.3Å |
| 514 | E | 56.2 | Low | 61.7 | Low | 107 Ų | 107 | 101 Ų | 101 | 50% | 0.5 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 173 | -77.6 | 175.1 | -179.3 | 0 | 0 | 112 | Q510 Q517 L518 | Q510-E514 WeakPolarHBondContact O-CB 3.35Å; Q510-E514 WeakPolarHBondContact O-CG 3.47Å; Q510-E514 PolarHBondContact O-N 2.9Å; E514-Q517 PolarHBondContact O-N 3.2Å; E514-L518 WeakPolarHBondContact O-CG 3.49Å; E514-L518 PolarHBondContact O-N 3.43Å |
| 515 | K | 66.9 | Low | 63.4 | Low | 136 Ų | 136 | 101 Ų | 101 | 59% | 0.591 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.4 | -41.1 | 176.1 | -159.2 | 175.6 | -174.9 | -175.5 | 0 | 112.2 | S511 V512 L518 E519 | S511-K515 WeakPolarHBondContact O-CB 3.39Å; S511-K515 PolarHBondContact O-N 2.95Å; V512-K515 PolarHBondContact O-N 3.36Å; K515-L518 PolarHBondContact O-N 2.93Å; K515-E519 WeakPolarHBondContact O-CB 3.48Å; K515-E519 WeakPolarHBondContact O-CG 3.47Å; K515-E519 PolarHBondContact O-N 3.45Å |
| 516 | Q | 64.3 | Low | 65.1 | Low | 116 Ų | 116 | 103.2 Ų | 103.2 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -35.4 | 171.4 | -77.9 | 177.1 | -10.3 | 0 | 0 | 112.2 | V512 F520 | V512-Q516 HydrophobicContact CG1-CG 4.42Å; V512-Q516 VanDerWaalsContact O-CB 3.29Å; V512-Q516 WeakPolarHBondContact O-CB 3.36Å; V512-Q516 VanDerWaalsContact O-CG 3.31Å; V512-Q516 WeakPolarHBondContact O-CG 3.23Å; V512-Q516 PolarHBondContact O-N 3.26Å; Q516-F520 WeakPolarHBondContact O-CB 3.46Å; Q516-F520 PolarHBondContact O-N 3.3Å |
| 517 | Q | 63 | Low | 66.9 | Low | 122 Ų | 122 | 103.6 Ų | 103.6 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.4 | -33.5 | 173.2 | -82.9 | -173.8 | 4.2 | 0 | 0 | 112.8 | C513 E514 R521 | C513-Q517 WeakPolarHBondContact O-CB 3.33Å; C513-Q517 VanDerWaalsContact O-CG 3.3Å; C513-Q517 WeakPolarHBondContact O-CG 3.45Å; C513-Q517 PolarHBondContact O-N 3.3Å; E514-Q517 PolarHBondContact O-N 3.2Å; Q517-R521 WeakPolarHBondContact O-CB 3.47Å; Q517-R521 PolarHBondContact O-N 3.45Å |
| 518 | L | 71.1 | Confident | 68.7 | Low | 98 Ų | 98 | 107.5 Ų | 107.5 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.1 | -46.4 | 173.4 | -75.6 | 169 | 0 | 0 | 0 | 111.4 | E514 K515 F520 R521 E522 | E514-L518 WeakPolarHBondContact O-CG 3.49Å; E514-L518 PolarHBondContact O-N 3.43Å; K515-L518 PolarHBondContact O-N 2.93Å; L518-F520 PolarHBondContact O-N 3.16Å; L518-R521 CarbonylContact O-C 3.52Å; L518-R521 WeakPolarHBondContact O-CB 3.34Å; L518-R521 PolarHBondContact O-N 2.93Å; L518-R521 VanDerWaalsContact O-N 3.11Å; L518-E522 PolarHBondContact O-N 3.03Å |
| 519 | E | 72.9 | Confident | 70.6 | Confident | 107 Ų | 107 | 102.4 Ų | 102.4 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 173.6 | -76.1 | 171.8 | -172.7 | 0 | 0 | 111.1 | K515 R521 E522 D523 | K515-E519 WeakPolarHBondContact O-CB 3.48Å; K515-E519 WeakPolarHBondContact O-CG 3.47Å; K515-E519 PolarHBondContact O-N 3.45Å; E519-R521 VanDerWaalsContact C-N 3.27Å; E519-R521 PolarHBondContact O-N 3.46Å; E519-E522 PolarHBondContact O-N 3.45Å; E519-D523 WeakPolarHBondContact O-CB 3.44Å; E519-D523 VanDerWaalsContact O-CG 3.29Å; E519-D523 PolarHBondContact O-N 3.02Å |
| 520 | F | 71 | Confident | 72.1 | Confident | 147 Ų | 147 | 104.7 Ų | 104.7 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.6 | -30.9 | 176.1 | -158.2 | -88.7 | 0 | 0 | 0 | 112.5 | Q516 L518 M524 | Q516-F520 WeakPolarHBondContact O-CB 3.46Å; Q516-F520 PolarHBondContact O-N 3.3Å; L518-F520 PolarHBondContact O-N 3.16Å; F520-M524 HydrophobicContact CD1-CG 3.97Å; F520-M524 HydrophobicContact CE1-CG 3.91Å; F520-M524 WeakPolarHBondContact O-CB 3.38Å; F520-M524 WeakPolarHBondContact O-CG 3.48Å; F520-M524 PolarHBondContact O-N 3.13Å |
| 521 | R | 74 | Confident | 73.7 | Confident | 152 Ų | 152 | 104.2 Ų | 104.2 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.1 | -41 | 174.9 | 179.9 | -172.3 | -63 | -110.7 | 1.9 | 111.5 | Q517 L518 E519 K525 | Q517-R521 WeakPolarHBondContact O-CB 3.47Å; Q517-R521 PolarHBondContact O-N 3.45Å; L518-R521 CarbonylContact O-C 3.52Å; L518-R521 WeakPolarHBondContact O-CB 3.34Å; L518-R521 PolarHBondContact O-N 2.93Å; L518-R521 VanDerWaalsContact O-N 3.11Å; E519-R521 VanDerWaalsContact C-N 3.27Å; E519-R521 PolarHBondContact O-N 3.46Å; R521-K525 WeakPolarHBondContact O-CG 3.47Å; R521-K525 PolarHBondContact O-N 3.19Å |
| 522 | E | 78.6 | Confident | 75.3 | Confident | 88 Ų | 88 | 105.4 Ų | 105.4 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -43.6 | 173.1 | -113 | 72 | -115.2 | 0 | 0 | 110.6 | L518 E519 M524 K525 T526 | L518-E522 PolarHBondContact O-N 3.03Å; E519-E522 PolarHBondContact O-N 3.45Å; E522-M524 VanDerWaalsContact C-N 3.34Å; E522-M524 PolarHBondContact O-N 3.15Å; E522-K525 CarbonylContact O-C 3.58Å; E522-K525 WeakPolarHBondContact O-CA 3.25Å; E522-K525 WeakPolarHBondContact O-CB 3.36Å; E522-K525 PolarHBondContact O-N 2.91Å; E522-K525 IonicContact OE1-NZ 2.71Å; E522-K525 PolarHBondContact OE1-NZ 3.28Å; E522-T526 WeakPolarHBondContact O-CG2 3.36Å; E522-T526 PolarHBondContact O-N 3.44Å; E522-T526 PolarHBondContact O-OG1 2.93Å |
| 523 | D | 83.7 | Confident | 76.7 | Confident | 99 Ų | 99 | 105.2 Ų | 105.2 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 174.8 | -73.8 | -17.6 | 0 | 0 | 0 | 111.9 | E519 K525 T526 L527 | E519-D523 WeakPolarHBondContact O-CB 3.44Å; E519-D523 VanDerWaalsContact O-CG 3.29Å; E519-D523 PolarHBondContact O-N 3.02Å; D523-K525 VanDerWaalsContact C-N 3.3Å; D523-K525 PolarHBondContact O-N 2.88Å; D523-T526 VanDerWaalsContact CA-OG1 3.29Å; D523-T526 WeakPolarHBondContact CA-OG1 3.3Å; D523-T526 PolarHBondContact O-N 3.38Å; D523-T526 PolarHBondContact O-OG1 3.44Å; D523-L527 WeakPolarHBondContact O-CB 3.48Å; D523-L527 PolarHBondContact O-N 2.84Å |
| 524 | M | 78.8 | Confident | 78 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -30.9 | 171.8 | -83.8 | -74.2 | -73.7 | 0 | 0 | 112.6 | F520 E522 R528 | F520-M524 HydrophobicContact CD1-CG 3.97Å; F520-M524 HydrophobicContact CE1-CG 3.91Å; F520-M524 WeakPolarHBondContact O-CB 3.38Å; F520-M524 WeakPolarHBondContact O-CG 3.48Å; F520-M524 PolarHBondContact O-N 3.13Å; E522-M524 VanDerWaalsContact C-N 3.34Å; E522-M524 PolarHBondContact O-N 3.15Å; M524-R528 WeakPolarHBondContact O-CB 3.5Å; M524-R528 PolarHBondContact O-N 3.41Å |
| 525 | K | 82.2 | Confident | 79.6 | Confident | 121 Ų | 121 | 109 Ų | 109 | 53% | 0.526 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.6 | -43.3 | 172.9 | -77.4 | 175.8 | -169.9 | 162.5 | 0 | 111.4 | R521 E522 D523 R528 G529 | R521-K525 WeakPolarHBondContact O-CG 3.47Å; R521-K525 PolarHBondContact O-N 3.19Å; E522-K525 CarbonylContact O-C 3.58Å; E522-K525 WeakPolarHBondContact O-CA 3.25Å; E522-K525 WeakPolarHBondContact O-CB 3.36Å; E522-K525 PolarHBondContact O-N 2.91Å; E522-K525 IonicContact OE1-NZ 2.71Å; E522-K525 PolarHBondContact OE1-NZ 3.28Å; D523-K525 VanDerWaalsContact C-N 3.3Å; D523-K525 PolarHBondContact O-N 2.88Å; K525-R528 PolarHBondContact O-N 2.97Å; K525-G529 PolarHBondContact O-N 3.27Å |
| 526 | T | 86.4 | Confident | 80.7 | Confident | 73 Ų | 73 | 108.3 Ų | 108.3 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 177.3 | 57.4 | 0 | 0 | 0 | 0 | 110 | E522 D523 R528 G529 H530 | E522-T526 WeakPolarHBondContact O-CG2 3.36Å; E522-T526 PolarHBondContact O-N 3.44Å; E522-T526 PolarHBondContact O-OG1 2.93Å; D523-T526 VanDerWaalsContact CA-OG1 3.29Å; D523-T526 WeakPolarHBondContact CA-OG1 3.3Å; D523-T526 PolarHBondContact O-N 3.38Å; D523-T526 PolarHBondContact O-OG1 3.44Å; T526-R528 VanDerWaalsContact C-N 3.34Å; T526-R528 PolarHBondContact O-N 3.18Å; T526-G529 CarbonylContact O-C 3.55Å; T526-G529 WeakPolarHBondContact O-CA 3.4Å; T526-G529 PolarHBondContact O-N 2.95Å; T526-G529 VanDerWaalsContact O-N 3.1Å; T526-H530 PolarHBondContact O-N 3.41Å; T526-H530 PolarHBondContact O-ND1 3.49Å |
| 527 | L | 85.4 | Confident | 81.8 | Confident | 105 Ų | 105 | 108 Ų | 108 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 175.1 | -172.6 | 66.5 | 0 | 0 | 0 | 111.5 | D523 H530 L531 | D523-L527 WeakPolarHBondContact O-CB 3.48Å; D523-L527 PolarHBondContact O-N 2.84Å; L527-H530 PolarHBondContact O-N 2.9Å; L527-L531 VanDerWaalsContact O-CB 3.32Å; L527-L531 WeakPolarHBondContact O-CB 3.41Å; L527-L531 PolarHBondContact O-N 3.02Å |
| 528 | R | 85.1 | Confident | 82.8 | Confident | 163 Ų | 163 | 108.1 Ų | 108.1 | 62% | 0.615 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 172.3 | -174.3 | -171.6 | -56 | -104.2 | -0.9 | 111.7 | M524 K525 T526 L531 E532 | M524-R528 WeakPolarHBondContact O-CB 3.5Å; M524-R528 PolarHBondContact O-N 3.41Å; K525-R528 PolarHBondContact O-N 2.97Å; T526-R528 VanDerWaalsContact C-N 3.34Å; T526-R528 PolarHBondContact O-N 3.18Å; R528-L531 PolarHBondContact O-N 2.87Å; R528-E532 WeakPolarHBondContact O-CB 3.47Å; R528-E532 PolarHBondContact O-N 2.97Å |
| 529 | G | 89 | Confident | 83.6 | Confident | 42 Ų | 42 | 110.4 Ų | 110.4 | 43% | 0.433 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K525 T526 S533 | K525-G529 PolarHBondContact O-N 3.27Å; T526-G529 CarbonylContact O-C 3.55Å; T526-G529 WeakPolarHBondContact O-CA 3.4Å; T526-G529 PolarHBondContact O-N 2.95Å; T526-G529 VanDerWaalsContact O-N 3.1Å; G529-S533 WeakPolarHBondContact O-CB 3.41Å; G529-S533 PolarHBondContact O-N 2.88Å |
| 530 | H | 84.6 | Confident | 84.3 | Confident | 128 Ų | 128 | 111.4 Ų | 111.4 | 59% | 0.593 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.5 | -49 | 174.1 | -76.3 | 70 | 0 | 0 | 0 | 110.6 | T526 L527 E532 S533 T534 | T526-H530 PolarHBondContact O-N 3.41Å; T526-H530 PolarHBondContact O-ND1 3.49Å; L527-H530 PolarHBondContact O-N 2.9Å; H530-E532 VanDerWaalsContact C-N 3.3Å; H530-E532 PolarHBondContact O-N 3.24Å; H530-S533 CarbonylContact O-C 3.55Å; H530-S533 WeakPolarHBondContact O-CB 3.45Å; H530-S533 PolarHBondContact O-N 3.35Å; H530-S533 VanDerWaalsContact O-N 3.09Å; H530-T534 PolarHBondContact O-N 3.5Å; H530-T534 PolarHBondContact O-OG1 2.84Å |
| 531 | L | 85.2 | Confident | 85 | Confident | 113 Ų | 113 | 106.9 Ų | 106.9 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -38.7 | -180 | -158.7 | 147.3 | 0 | 0 | 0 | 111.9 | L527 R528 R535 | L527-L531 VanDerWaalsContact O-CB 3.32Å; L527-L531 WeakPolarHBondContact O-CB 3.41Å; L527-L531 PolarHBondContact O-N 3.02Å; R528-L531 PolarHBondContact O-N 2.87Å; L531-R535 VanDerWaalsContact O-CB 3.27Å; L531-R535 WeakPolarHBondContact O-CB 3.43Å; L531-R535 PolarHBondContact O-N 3.46Å |
| 532 | E | 87.6 | Confident | 85.6 | Confident | 86 Ų | 86 | 101.5 Ų | 101.5 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 174.4 | -155.3 | 70.3 | -147.1 | 0 | 0 | 112 | R528 H530 R535 K536 | R528-E532 WeakPolarHBondContact O-CB 3.47Å; R528-E532 PolarHBondContact O-N 2.97Å; H530-E532 VanDerWaalsContact C-N 3.3Å; H530-E532 PolarHBondContact O-N 3.24Å; E532-R535 PolarHBondContact O-N 2.82Å; E532-K536 WeakPolarHBondContact O-CG 3.4Å; E532-K536 PolarHBondContact O-N 3.07Å |
| 533 | S | 87.4 | Confident | 86.1 | Confident | 55 Ų | 55 | 102.5 Ų | 102.5 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 174.3 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | G529 H530 R535 K536 Q537 | G529-S533 WeakPolarHBondContact O-CB 3.41Å; G529-S533 PolarHBondContact O-N 2.88Å; H530-S533 CarbonylContact O-C 3.55Å; H530-S533 WeakPolarHBondContact O-CB 3.45Å; H530-S533 PolarHBondContact O-N 3.35Å; H530-S533 VanDerWaalsContact O-N 3.09Å; S533-R535 VanDerWaalsContact C-N 3.32Å; S533-R535 PolarHBondContact O-N 2.95Å; S533-K536 PolarHBondContact O-N 3.26Å; S533-Q537 WeakPolarHBondContact O-CG 3.46Å; S533-Q537 PolarHBondContact O-N 3.03Å |
| 534 | T | 85.3 | Confident | 86.4 | Confident | 76 Ų | 76 | 104 Ų | 104 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 175.4 | -49.5 | 0 | 0 | 0 | 0 | 110.5 | H530 K536 Q537 L538 | H530-T534 PolarHBondContact O-N 3.5Å; H530-T534 PolarHBondContact O-OG1 2.84Å; T534-K536 PolarHBondContact O-N 3.47Å; T534-Q537 PolarHBondContact O-N 2.92Å; T534-L538 WeakPolarHBondContact O-CB 3.45Å; T534-L538 PolarHBondContact O-N 3.44Å |
| 535 | R | 88.6 | Confident | 86.8 | Confident | 173 Ų | 173 | 106.7 Ų | 106.7 | 65% | 0.653 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.5 | -43.9 | 175.3 | -175.8 | 179.4 | 174.7 | 167.4 | -0.1 | 112.2 | L531 E532 S533 L538 F539 | L531-R535 VanDerWaalsContact O-CB 3.27Å; L531-R535 WeakPolarHBondContact O-CB 3.43Å; L531-R535 PolarHBondContact O-N 3.46Å; E532-R535 PolarHBondContact O-N 2.82Å; S533-R535 VanDerWaalsContact C-N 3.32Å; S533-R535 PolarHBondContact O-N 2.95Å; R535-L538 PolarHBondContact O-N 3.05Å; R535-F539 PolarHBondContact O-N 2.86Å |
| 536 | K | 90.4 | Very high | 87.2 | Confident | 122 Ų | 122 | 104.4 Ų | 104.4 | 53% | 0.53 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.6 | -38 | 175.6 | -73.8 | 175.7 | -178.2 | 178.5 | 0 | 112.5 | E532 S533 T534 F539 R540 | E532-K536 WeakPolarHBondContact O-CG 3.4Å; E532-K536 PolarHBondContact O-N 3.07Å; S533-K536 PolarHBondContact O-N 3.26Å; T534-K536 PolarHBondContact O-N 3.47Å; K536-F539 PolarHBondContact O-N 3.43Å; K536-R540 PolarHBondContact O-N 2.86Å |
| 537 | Q | 87.3 | Confident | 87.4 | Confident | 110 Ų | 110 | 104.7 Ų | 104.7 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 174.3 | -71.9 | 178.3 | 10.1 | 0 | 0 | 111.8 | S533 T534 F539 R540 A541 | S533-Q537 WeakPolarHBondContact O-CG 3.46Å; S533-Q537 PolarHBondContact O-N 3.03Å; T534-Q537 PolarHBondContact O-N 2.92Å; Q537-F539 VanDerWaalsContact C-N 3.32Å; Q537-F539 PolarHBondContact O-N 3.34Å; Q537-R540 PolarHBondContact O-N 2.98Å; Q537-A541 VanDerWaalsContact O-CB 3.31Å; Q537-A541 WeakPolarHBondContact O-CB 3.41Å; Q537-A541 PolarHBondContact O-N 3.41Å |
| 538 | L | 84.8 | Confident | 87.6 | Confident | 125 Ų | 125 | 105 Ų | 105 | 65% | 0.654 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.8 | -37.9 | 175.9 | -126.4 | 149.4 | 0 | 0 | 0 | 111.8 | T534 R535 G542 | T534-L538 WeakPolarHBondContact O-CB 3.45Å; T534-L538 PolarHBondContact O-N 3.44Å; R535-L538 PolarHBondContact O-N 3.05Å; L538-G542 PolarHBondContact O-N 3.2Å |
| 539 | F | 86.6 | Confident | 87.8 | Confident | 145 Ų | 145 | 102.6 Ų | 102.6 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.7 | -47.9 | 174.3 | -160.4 | -90 | 0 | 0 | 0 | 111.7 | R535 K536 Q537 A541 G542 E543 | R535-F539 PolarHBondContact O-N 2.86Å; K536-F539 PolarHBondContact O-N 3.43Å; Q537-F539 VanDerWaalsContact C-N 3.32Å; Q537-F539 PolarHBondContact O-N 3.34Å; F539-A541 PolarHBondContact O-N 2.89Å; F539-G542 WeakPolarHBondContact O-CA 3.47Å; F539-G542 PolarHBondContact O-N 2.98Å; F539-G542 VanDerWaalsContact O-N 3.09Å; F539-E543 HydrophobicContact CD1-CG 4.36Å; F539-E543 HydrophobicContact CE1-CG 4.29Å; F539-E543 VanDerWaalsContact CE1-OE1 3.3Å; F539-E543 WeakPolarHBondContact CE1-OE1 3.46Å; F539-E543 PolarHBondContact O-N 2.98Å |
| 540 | R | 88.6 | Confident | 87.9 | Confident | 128 Ų | 128 | 107.1 Ų | 107.1 | 48% | 0.483 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 174.5 | -75.8 | -171.1 | -72.5 | -106.5 | 1.8 | 112.7 | K536 Q537 G542 E543 E544 | K536-R540 PolarHBondContact O-N 2.86Å; Q537-R540 PolarHBondContact O-N 2.98Å; R540-G542 PolarHBondContact O-N 3.38Å; R540-E543 PolarHBondContact O-N 3.48Å; R540-E544 WeakPolarHBondContact O-CG 3.32Å; R540-E544 PolarHBondContact O-N 3.24Å |
| 541 | A | 85.8 | Confident | 88.1 | Confident | 52 Ų | 52 | 105.7 Ų | 105.7 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -32.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q537 F539 K545 | Q537-A541 VanDerWaalsContact O-CB 3.31Å; Q537-A541 WeakPolarHBondContact O-CB 3.41Å; Q537-A541 PolarHBondContact O-N 3.41Å; F539-A541 PolarHBondContact O-N 2.89Å; A541-K545 WeakPolarHBondContact O-CB 3.23Å; A541-K545 PolarHBondContact O-N 3.15Å |
| 542 | G | 86.6 | Confident | 88 | Confident | 39 Ų | 39 | 104.5 Ų | 104.5 | 40% | 0.402 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L538 F539 R540 K545 S546 | L538-G542 PolarHBondContact O-N 3.2Å; F539-G542 WeakPolarHBondContact O-CA 3.47Å; F539-G542 PolarHBondContact O-N 2.98Å; F539-G542 VanDerWaalsContact O-N 3.09Å; R540-G542 PolarHBondContact O-N 3.38Å; G542-K545 PolarHBondContact O-N 3.15Å; G542-S546 PolarHBondContact O-N 3.21Å |
| 543 | E | 89.1 | Confident | 88.2 | Confident | 110 Ų | 110 | 105 Ų | 105 | 51% | 0.514 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -46 | 174.9 | -67.7 | 175.7 | 150.8 | 0 | 0 | 111.6 | F539 R540 K545 S546 C547 | F539-E543 HydrophobicContact CD1-CG 4.36Å; F539-E543 HydrophobicContact CE1-CG 4.29Å; F539-E543 VanDerWaalsContact CE1-OE1 3.3Å; F539-E543 WeakPolarHBondContact CE1-OE1 3.46Å; F539-E543 PolarHBondContact O-N 2.98Å; R540-E543 PolarHBondContact O-N 3.48Å; E543-K545 VanDerWaalsContact C-N 3.33Å; E543-K545 PolarHBondContact O-N 3.39Å; E543-S546 WeakPolarHBondContact O-CB 3.42Å; E543-S546 PolarHBondContact O-N 2.89Å; E543-S546 VanDerWaalsContact O-N 3.11Å; E543-C547 PolarHBondContact O-N 3.25Å |
| 544 | E | 88.9 | Confident | 88.5 | Confident | 130 Ų | 130 | 107.4 Ų | 107.4 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60 | -42.3 | 174.7 | -74.7 | 176.9 | -173.9 | 0 | 0 | 111.7 | R540 S546 C547 L548 | R540-E544 WeakPolarHBondContact O-CG 3.32Å; R540-E544 PolarHBondContact O-N 3.24Å; E544-S546 VanDerWaalsContact C-N 3.31Å; E544-S546 PolarHBondContact O-N 3.06Å; E544-C547 PolarHBondContact O-N 3.45Å; E544-L548 WeakPolarHBondContact O-CB 3.42Å; E544-L548 WeakPolarHBondContact O-CG 3.44Å; E544-L548 PolarHBondContact O-N 2.99Å |
| 545 | K | 88.4 | Confident | 88.5 | Confident | 144 Ų | 144 | 112 Ų | 112 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.4 | -42.3 | 173.7 | -179.4 | -178.1 | 177.3 | -178.1 | 0 | 111.4 | A541 G542 E543 L548 Q549 | A541-K545 WeakPolarHBondContact O-CB 3.23Å; A541-K545 PolarHBondContact O-N 3.15Å; G542-K545 PolarHBondContact O-N 3.15Å; E543-K545 VanDerWaalsContact C-N 3.33Å; E543-K545 PolarHBondContact O-N 3.39Å; K545-L548 PolarHBondContact O-N 3.15Å; K545-Q549 VanDerWaalsContact O-CB 3.25Å; K545-Q549 WeakPolarHBondContact O-CB 3.38Å; K545-Q549 PolarHBondContact O-N 2.83Å |
| 546 | S | 90.3 | Very high | 88.4 | Confident | 73 Ų | 73 | 106 Ų | 106 | 51% | 0.51 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 178.4 | -148.8 | 0 | 0 | 0 | 0 | 111.9 | G542 E543 E544 Q549 M550 | G542-S546 PolarHBondContact O-N 3.21Å; E543-S546 WeakPolarHBondContact O-CB 3.42Å; E543-S546 PolarHBondContact O-N 2.89Å; E543-S546 VanDerWaalsContact O-N 3.11Å; E544-S546 VanDerWaalsContact C-N 3.31Å; E544-S546 PolarHBondContact O-N 3.06Å; S546-Q549 PolarHBondContact O-N 3.27Å; S546-M550 PolarHBondContact O-N 2.95Å |
| 547 | C | 90.5 | Very high | 88.5 | Confident | 79 Ų | 79 | 104.8 Ų | 104.8 | 53% | 0.534 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 173.3 | -96.9 | 0 | 0 | 0 | 0 | 112.6 | E543 E544 Q549 M550 L551 | E543-C547 PolarHBondContact O-N 3.25Å; E544-C547 PolarHBondContact O-N 3.45Å; C547-Q549 VanDerWaalsContact C-N 3.3Å; C547-Q549 PolarHBondContact O-N 2.94Å; C547-M550 PolarHBondContact O-N 3.48Å; C547-L551 PolarHBondContact O-N 3.4Å; C547-L551 VanDerWaalsContact O-N 3.07Å |
| 548 | L | 90 | Very high | 88.6 | Confident | 113 Ų | 113 | 104.1 Ų | 104.1 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.1 | -37.1 | 176.2 | -72.1 | 173.8 | 0 | 0 | 0 | 111.4 | E544 K545 L551 T552 | E544-L548 WeakPolarHBondContact O-CB 3.42Å; E544-L548 WeakPolarHBondContact O-CG 3.44Å; E544-L548 PolarHBondContact O-N 2.99Å; K545-L548 PolarHBondContact O-N 3.15Å; L548-L551 PolarHBondContact O-N 2.71Å; L548-T552 WeakPolarHBondContact O-CG2 3.37Å; L548-T552 PolarHBondContact O-N 2.98Å; L548-T552 PolarHBondContact O-OG1 2.88Å |
| 549 | Q | 89.3 | Confident | 88.8 | Confident | 112 Ų | 112 | 102.3 Ų | 102.3 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 177 | -171.2 | 170.3 | -7.8 | 0 | 0 | 111.6 | K545 S546 C547 L551 T552 E553 | K545-Q549 VanDerWaalsContact O-CB 3.25Å; K545-Q549 WeakPolarHBondContact O-CB 3.38Å; K545-Q549 PolarHBondContact O-N 2.83Å; S546-Q549 PolarHBondContact O-N 3.27Å; C547-Q549 VanDerWaalsContact C-N 3.3Å; C547-Q549 PolarHBondContact O-N 2.94Å; Q549-L551 VanDerWaalsContact C-N 3.35Å; Q549-L551 PolarHBondContact O-N 3.43Å; Q549-T552 WeakPolarHBondContact CA-OG1 3.48Å; Q549-T552 PolarHBondContact O-N 3.39Å; Q549-T552 PolarHBondContact O-OG1 2.88Å; Q549-E553 WeakPolarHBondContact O-CB 3.18Å; Q549-E553 PolarHBondContact O-N 2.96Å |
| 550 | M | 89.7 | Confident | 89.1 | Confident | 136 Ų | 136 | 101.4 Ų | 101.4 | 67% | 0.67 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.2 | -42.9 | 172.1 | -81.3 | -145.3 | -54.2 | 0 | 0 | 112.5 | S546 C547 T552 E553 Q554 | S546-M550 PolarHBondContact O-N 2.95Å; C547-M550 PolarHBondContact O-N 3.48Å; M550-T552 VanDerWaalsContact C-N 3.33Å; M550-T552 PolarHBondContact O-N 2.95Å; M550-E553 PolarHBondContact O-N 2.89Å; M550-Q554 WeakPolarHBondContact O-CB 3.45Å; M550-Q554 PolarHBondContact O-N 3.36Å |
| 551 | L | 89.3 | Confident | 89.3 | Confident | 98 Ų | 98 | 101.8 Ų | 101.8 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 177.2 | -96.5 | 157.2 | 0 | 0 | 0 | 112.4 | C547 L548 Q549 R555 | C547-L551 PolarHBondContact O-N 3.4Å; C547-L551 VanDerWaalsContact O-N 3.07Å; L548-L551 PolarHBondContact O-N 2.71Å; Q549-L551 VanDerWaalsContact C-N 3.35Å; Q549-L551 PolarHBondContact O-N 3.43Å; L551-R555 WeakPolarHBondContact O-CB 3.33Å; L551-R555 PolarHBondContact O-N 3.07Å |
| 552 | T | 83.9 | Confident | 89.5 | Confident | 88 Ų | 88 | 105.1 Ų | 105.1 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.1 | -36.2 | 174.7 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | L548 Q549 M550 R555 S556 | L548-T552 WeakPolarHBondContact O-CG2 3.37Å; L548-T552 PolarHBondContact O-N 2.98Å; L548-T552 PolarHBondContact O-OG1 2.88Å; Q549-T552 WeakPolarHBondContact CA-OG1 3.48Å; Q549-T552 PolarHBondContact O-N 3.39Å; Q549-T552 PolarHBondContact O-OG1 2.88Å; M550-T552 VanDerWaalsContact C-N 3.33Å; M550-T552 PolarHBondContact O-N 2.95Å; T552-R555 PolarHBondContact O-N 3.29Å; T552-S556 VanDerWaalsContact O-CB 3.3Å; T552-S556 WeakPolarHBondContact O-CB 3.4Å; T552-S556 PolarHBondContact O-N 3.46Å; T552-S556 PolarHBondContact O-OG 3.5Å |
| 553 | E | 92.1 | Very high | 89.6 | Confident | 98 Ų | 98 | 109.2 Ų | 109.2 | 46% | 0.458 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.1 | -40.4 | 175.8 | -160.4 | 71 | -140.2 | 0 | 0 | 111.2 | Q549 M550 S556 Q557 R560 | Q549-E553 WeakPolarHBondContact O-CB 3.18Å; Q549-E553 PolarHBondContact O-N 2.96Å; M550-E553 PolarHBondContact O-N 2.89Å; E553-S556 PolarHBondContact O-N 2.98Å; E553-S556 PolarHBondContact O-OG 2.87Å; E553-Q557 PolarHBondContact O-N 3.25Å; E553-R560 IonicContact OE1-NH2 3.83Å |
| 554 | Q | 92 | Very high | 89.7 | Confident | 105 Ų | 105 | 110.1 Ų | 110.1 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 174.5 | -176.3 | -178.7 | -15.1 | 0 | 0 | 111.2 | M550 S556 Q557 E558 | M550-Q554 WeakPolarHBondContact O-CB 3.45Å; M550-Q554 PolarHBondContact O-N 3.36Å; Q554-S556 VanDerWaalsContact C-N 3.31Å; Q554-S556 PolarHBondContact O-N 3.14Å; Q554-Q557 PolarHBondContact O-N 3.41Å; Q554-E558 PolarHBondContact O-N 2.91Å |
| 555 | R | 87 | Confident | 89.8 | Confident | 173 Ų | 173 | 108.5 Ų | 108.5 | 65% | 0.653 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.4 | -36.1 | 175.1 | -83.5 | -161.9 | 176.4 | -159.4 | 1.7 | 112.5 | L551 T552 Q557 E558 V559 | L551-R555 WeakPolarHBondContact O-CB 3.33Å; L551-R555 PolarHBondContact O-N 3.07Å; T552-R555 PolarHBondContact O-N 3.29Å; R555-Q557 VanDerWaalsContact C-N 3.32Å; R555-E558 PolarHBondContact O-N 3.49Å; R555-V559 WeakPolarHBondContact O-CB 3.33Å; R555-V559 VanDerWaalsContact O-CG2 3.28Å; R555-V559 WeakPolarHBondContact O-CG2 3.4Å; R555-V559 PolarHBondContact O-N 2.93Å |
| 556 | S | 86.3 | Confident | 89.9 | Confident | 45 Ų | 45 | 106.9 Ų | 106.9 | 32% | 0.315 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.5 | -32.8 | 177.4 | 79.1 | 0 | 0 | 0 | 0 | 111.8 | T552 E553 Q554 R560 | T552-S556 VanDerWaalsContact O-CB 3.3Å; T552-S556 WeakPolarHBondContact O-CB 3.4Å; T552-S556 PolarHBondContact O-N 3.46Å; T552-S556 PolarHBondContact O-OG 3.5Å; E553-S556 PolarHBondContact O-N 2.98Å; E553-S556 PolarHBondContact O-OG 2.87Å; Q554-S556 VanDerWaalsContact C-N 3.31Å; Q554-S556 PolarHBondContact O-N 3.14Å; S556-R560 WeakPolarHBondContact O-CG 3.47Å; S556-R560 PolarHBondContact O-N 3.47Å; S556-R560 VanDerWaalsContact O-N 3.13Å; S556-R560 PolarHBondContact O-NE 3.49Å |
| 557 | Q | 91.6 | Very high | 89.8 | Confident | 98 Ų | 98 | 109 Ų | 109 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.3 | -41.4 | 169.8 | -78.8 | -177.6 | -8.7 | 0 | 0 | 112.6 | E553 Q554 R555 R560 K561 | E553-Q557 PolarHBondContact O-N 3.25Å; Q554-Q557 PolarHBondContact O-N 3.41Å; R555-Q557 VanDerWaalsContact C-N 3.32Å; Q557-R560 PolarHBondContact O-N 3.33Å; Q557-K561 WeakPolarHBondContact O-CG 3.27Å; Q557-K561 PolarHBondContact O-N 3.44Å |
| 558 | E | 89.6 | Confident | 89.9 | Confident | 96 Ų | 96 | 111 Ų | 111 | 45% | 0.449 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 175.1 | -80.6 | 174.1 | 177.3 | 0 | 0 | 112.2 | Q554 R555 R560 K561 L562 | Q554-E558 PolarHBondContact O-N 2.91Å; R555-E558 PolarHBondContact O-N 3.49Å; E558-R560 VanDerWaalsContact C-N 3.32Å; E558-R560 PolarHBondContact O-N 3.49Å; E558-K561 PolarHBondContact O-N 3.49Å; E558-L562 WeakPolarHBondContact O-CG 3.47Å; E558-L562 PolarHBondContact O-N 2.88Å |
| 559 | V | 89.8 | Confident | 89.6 | Confident | 86 Ų | 86 | 110.3 Ų | 110.3 | 52% | 0.521 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 175.1 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | R555 L562 Q563 | R555-V559 WeakPolarHBondContact O-CB 3.33Å; R555-V559 VanDerWaalsContact O-CG2 3.28Å; R555-V559 WeakPolarHBondContact O-CG2 3.4Å; R555-V559 PolarHBondContact O-N 2.93Å; V559-L562 PolarHBondContact O-N 3.25Å; V559-Q563 VanDerWaalsContact O-CB 3.24Å; V559-Q563 WeakPolarHBondContact O-CB 3.44Å; V559-Q563 PolarHBondContact O-N 3.02Å |
| 560 | R | 91.8 | Very high | 89.5 | Confident | 127 Ų | 127 | 109.7 Ų | 109.7 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.3 | -47.5 | 175.1 | -82.9 | -177 | -81.1 | -179.8 | -9.2 | 112.2 | E553 S556 Q557 E558 L562 Q563 E564 | E553-R560 IonicContact OE1-NH2 3.83Å; S556-R560 WeakPolarHBondContact O-CG 3.47Å; S556-R560 PolarHBondContact O-N 3.47Å; S556-R560 VanDerWaalsContact O-N 3.13Å; S556-R560 PolarHBondContact O-NE 3.49Å; Q557-R560 PolarHBondContact O-N 3.33Å; E558-R560 VanDerWaalsContact C-N 3.32Å; E558-R560 PolarHBondContact O-N 3.49Å; R560-L562 PolarHBondContact O-N 2.92Å; R560-Q563 PolarHBondContact O-N 3.02Å; R560-E564 WeakPolarHBondContact O-CG 3.3Å; R560-E564 PolarHBondContact O-N 2.99Å |
| 561 | K | 93 | Very high | 89.5 | Confident | 136 Ų | 136 | 109.7 Ų | 109.7 | 59% | 0.591 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.7 | -44.2 | 177.5 | -70.6 | 175.2 | -177.9 | 177.3 | 0 | 112.3 | Q557 E558 Q563 E564 L565 | Q557-K561 WeakPolarHBondContact O-CG 3.27Å; Q557-K561 PolarHBondContact O-N 3.44Å; E558-K561 PolarHBondContact O-N 3.49Å; K561-Q563 VanDerWaalsContact C-N 3.29Å; K561-Q563 PolarHBondContact O-N 2.97Å; K561-E564 PolarHBondContact O-N 3.47Å; K561-L565 WeakPolarHBondContact O-CB 3.47Å; K561-L565 PolarHBondContact O-N 3.4Å |
| 562 | L | 90.1 | Very high | 89.6 | Confident | 121 Ų | 121 | 109.6 Ų | 109.6 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.1 | -34.6 | 176.9 | -72 | 173.9 | 0 | 0 | 0 | 112 | E558 V559 R560 L565 L566 | E558-L562 WeakPolarHBondContact O-CG 3.47Å; E558-L562 PolarHBondContact O-N 2.88Å; V559-L562 PolarHBondContact O-N 3.25Å; R560-L562 PolarHBondContact O-N 2.92Å; L562-L565 PolarHBondContact O-N 2.85Å; L562-L566 WeakPolarHBondContact O-CB 3.46Å; L562-L566 PolarHBondContact O-N 3.45Å |
| 563 | Q | 88.9 | Confident | 89.5 | Confident | 126 Ų | 126 | 109.2 Ų | 109.2 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.8 | -39 | 178 | -169.3 | 161.7 | -5.8 | 0 | 0 | 112.1 | V559 R560 K561 Q567 | V559-Q563 VanDerWaalsContact O-CB 3.24Å; V559-Q563 WeakPolarHBondContact O-CB 3.44Å; V559-Q563 PolarHBondContact O-N 3.02Å; R560-Q563 PolarHBondContact O-N 3.02Å; K561-Q563 VanDerWaalsContact C-N 3.29Å; K561-Q563 PolarHBondContact O-N 2.97Å; Q563-Q567 WeakPolarHBondContact O-CB 3.41Å; Q563-Q567 PolarHBondContact O-N 2.87Å |
| 564 | E | 92 | Very high | 89.3 | Confident | 128 Ų | 128 | 110.5 Ų | 110.5 | 60% | 0.598 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.6 | -45.7 | 171.2 | -73.1 | 169.4 | -175.5 | 0 | 0 | 111.4 | R560 K561 L566 Q567 E568 | R560-E564 WeakPolarHBondContact O-CG 3.3Å; R560-E564 PolarHBondContact O-N 2.99Å; K561-E564 PolarHBondContact O-N 3.47Å; E564-L566 PolarHBondContact O-N 3.33Å; E564-Q567 WeakPolarHBondContact O-CB 3.42Å; E564-Q567 PolarHBondContact O-N 3.37Å; E564-E568 PolarHBondContact O-N 3.28Å |
| 565 | L | 91 | Very high | 89.2 | Confident | 97 Ų | 97 | 110.8 Ų | 110.8 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | -179.9 | -146.5 | 155 | 0 | 0 | 0 | 111.7 | K561 L562 E568 K569 | K561-L565 WeakPolarHBondContact O-CB 3.47Å; K561-L565 PolarHBondContact O-N 3.4Å; L562-L565 PolarHBondContact O-N 2.85Å; L565-E568 PolarHBondContact O-N 2.91Å; L565-K569 HydrophobicContact CD2-CG 4.18Å; L565-K569 VanDerWaalsContact O-CG 3.3Å; L565-K569 WeakPolarHBondContact O-CG 3.48Å; L565-K569 PolarHBondContact O-N 3.3Å |
| 566 | L | 89.6 | Confident | 89.3 | Confident | 110 Ų | 110 | 107.8 Ų | 107.8 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 172.3 | -170.6 | 77.6 | 0 | 0 | 0 | 111.2 | L562 E564 E568 K569 D570 | L562-L566 WeakPolarHBondContact O-CB 3.46Å; L562-L566 PolarHBondContact O-N 3.45Å; E564-L566 PolarHBondContact O-N 3.33Å; L566-E568 VanDerWaalsContact C-N 3.27Å; L566-E568 PolarHBondContact O-N 3.13Å; L566-K569 PolarHBondContact O-N 2.95Å; L566-D570 PolarHBondContact O-N 3.21Å |
| 567 | Q | 89.1 | Confident | 89.6 | Confident | 118 Ų | 118 | 112 Ų | 112 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.4 | -31.1 | 179.4 | -149.9 | -178.3 | 17.3 | 0 | 0 | 112.2 | Q563 E564 K571 | Q563-Q567 WeakPolarHBondContact O-CB 3.41Å; Q563-Q567 PolarHBondContact O-N 2.87Å; E564-Q567 WeakPolarHBondContact O-CB 3.42Å; E564-Q567 PolarHBondContact O-N 3.37Å; Q567-K571 VanDerWaalsContact O-CG 3.28Å; Q567-K571 WeakPolarHBondContact O-CG 3.46Å; Q567-K571 PolarHBondContact O-N 2.88Å |
| 568 | E | 91.3 | Very high | 89.5 | Confident | 121 Ų | 121 | 112.1 Ų | 112.1 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.4 | -41.9 | 172.2 | -171.9 | 159 | -153 | 0 | 0 | 112 | E564 L565 L566 K571 E572 | E564-E568 PolarHBondContact O-N 3.28Å; L565-E568 PolarHBondContact O-N 2.91Å; L566-E568 VanDerWaalsContact C-N 3.27Å; L566-E568 PolarHBondContact O-N 3.13Å; E568-K571 WeakPolarHBondContact O-CB 3.5Å; E568-K571 PolarHBondContact O-N 3.21Å; E568-E572 PolarHBondContact O-N 2.89Å |
| 569 | K | 85.3 | Confident | 89.5 | Confident | 98 Ų | 98 | 111.7 Ų | 111.7 | 43% | 0.426 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 174.6 | -67.6 | -71.3 | 150.5 | -167.7 | 0 | 112.6 | L565 L566 K571 E572 C573 | L565-K569 HydrophobicContact CD2-CG 4.18Å; L565-K569 VanDerWaalsContact O-CG 3.3Å; L565-K569 WeakPolarHBondContact O-CG 3.48Å; L565-K569 PolarHBondContact O-N 3.3Å; L566-K569 PolarHBondContact O-N 2.95Å; K569-K571 VanDerWaalsContact C-N 3.32Å; K569-K571 PolarHBondContact O-N 3.25Å; K569-E572 WeakPolarHBondContact CD-OE2 3.31Å; K569-E572 WeakPolarHBondContact CE-OE2 3.28Å; K569-E572 IonicContact NZ-OE1 3.08Å; K569-E572 IonicContact NZ-OE2 3.51Å; K569-E572 PolarHBondContact NZ-OE2 3.25Å; K569-E572 PolarHBondContact O-N 3.35Å; K569-C573 WeakPolarHBondContact O-CB 3.3Å; K569-C573 PolarHBondContact O-N 3.04Å; K569-C573 PolarHBondContact O-SG 2.96Å; K569-C573 VanDerWaalsContact O-SG 3.42Å |
| 570 | D | 86.9 | Confident | 89.4 | Confident | 99 Ų | 99 | 111.4 Ų | 111.4 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 172.9 | -83.3 | -17.6 | 0 | 0 | 0 | 111.6 | L566 C573 H574 | L566-D570 PolarHBondContact O-N 3.21Å; D570-C573 PolarHBondContact O-N 3.49Å; D570-H574 WeakPolarHBondContact O-CB 3.24Å; D570-H574 PolarHBondContact O-N 3.44Å |
| 571 | K | 89.7 | Confident | 89.1 | Confident | 136 Ų | 136 | 110.7 Ų | 110.7 | 59% | 0.591 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | 173.9 | -70 | 166.7 | -170.1 | 169.9 | 0 | 111.5 | Q567 E568 K569 H574 L575 | Q567-K571 VanDerWaalsContact O-CG 3.28Å; Q567-K571 WeakPolarHBondContact O-CG 3.46Å; Q567-K571 PolarHBondContact O-N 2.88Å; E568-K571 WeakPolarHBondContact O-CB 3.5Å; E568-K571 PolarHBondContact O-N 3.21Å; K569-K571 VanDerWaalsContact C-N 3.32Å; K569-K571 PolarHBondContact O-N 3.25Å; K571-H574 PolarHBondContact O-N 3.05Å; K571-L575 WeakPolarHBondContact O-CB 3.44Å; K571-L575 PolarHBondContact O-N 2.83Å |
| 572 | E | 90 | Very high | 88.8 | Confident | 96 Ų | 96 | 106.6 Ų | 106.6 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 174.3 | -84.5 | -176.9 | 163.8 | 0 | 0 | 112 | E568 K569 H574 L575 L576 | E568-E572 PolarHBondContact O-N 2.89Å; K569-E572 WeakPolarHBondContact CD-OE2 3.31Å; K569-E572 WeakPolarHBondContact CE-OE2 3.28Å; K569-E572 IonicContact NZ-OE1 3.08Å; K569-E572 IonicContact NZ-OE2 3.51Å; K569-E572 PolarHBondContact NZ-OE2 3.25Å; K569-E572 PolarHBondContact O-N 3.35Å; E572-H574 VanDerWaalsContact C-N 3.3Å; E572-H574 PolarHBondContact O-N 2.89Å; E572-L575 WeakPolarHBondContact O-CB 3.44Å; E572-L575 PolarHBondContact O-N 3.43Å; E572-L576 WeakPolarHBondContact O-CB 3.28Å; E572-L576 PolarHBondContact O-N 2.83Å |
| 573 | C | 81.9 | Confident | 88.7 | Confident | 79 Ų | 79 | 105.1 Ų | 105.1 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -40 | 175.4 | -74.3 | 0 | 0 | 0 | 0 | 111.6 | K569 D570 L576 F577 | K569-C573 WeakPolarHBondContact O-CB 3.3Å; K569-C573 PolarHBondContact O-N 3.04Å; K569-C573 PolarHBondContact O-SG 2.96Å; K569-C573 VanDerWaalsContact O-SG 3.42Å; D570-C573 PolarHBondContact O-N 3.49Å; C573-L576 PolarHBondContact O-N 3.36Å; C573-F577 WeakPolarHBondContact O-CB 3.3Å; C573-F577 PolarHBondContact O-N 3.01Å |
| 574 | H | 88.6 | Confident | 88.8 | Confident | 126 Ų | 126 | 104.4 Ų | 104.4 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.2 | -39.7 | 175.3 | -139.6 | 74.5 | 0 | 0 | 0 | 111.9 | D570 K571 E572 F577 L578 | D570-H574 WeakPolarHBondContact O-CB 3.24Å; D570-H574 PolarHBondContact O-N 3.44Å; K571-H574 PolarHBondContact O-N 3.05Å; E572-H574 VanDerWaalsContact C-N 3.3Å; E572-H574 PolarHBondContact O-N 2.89Å; H574-F577 PolarHBondContact O-N 3.3Å; H574-L578 WeakPolarHBondContact O-CG 3.47Å; H574-L578 PolarHBondContact O-N 3.5Å |
| 575 | L | 90.8 | Very high | 88.7 | Confident | 111 Ų | 111 | 100.7 Ų | 100.7 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.4 | -44.1 | 176 | -144.2 | 91.5 | 0 | 0 | 0 | 111.2 | K571 E572 F577 L578 I579 | K571-L575 WeakPolarHBondContact O-CB 3.44Å; K571-L575 PolarHBondContact O-N 2.83Å; E572-L575 WeakPolarHBondContact O-CB 3.44Å; E572-L575 PolarHBondContact O-N 3.43Å; L575-F577 VanDerWaalsContact C-N 3.32Å; L575-F577 PolarHBondContact O-N 3.49Å; L575-L578 PolarHBondContact O-N 3.31Å; L575-I579 HydrophobicContact CD2-CD1 4.4Å; L575-I579 VanDerWaalsContact O-CG1 3.27Å; L575-I579 WeakPolarHBondContact O-CG1 3.32Å; L575-I579 PolarHBondContact O-N 3.26Å |
| 576 | L | 88.8 | Confident | 88.4 | Confident | 109 Ų | 109 | 104 Ų | 104 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63 | -38.6 | 175.4 | -79.3 | 169.5 | 0 | 0 | 0 | 111.8 | E572 C573 I579 C580 | E572-L576 WeakPolarHBondContact O-CB 3.28Å; E572-L576 PolarHBondContact O-N 2.83Å; C573-L576 PolarHBondContact O-N 3.36Å; L576-I579 PolarHBondContact O-N 2.83Å; L576-C580 VanDerWaalsContact O-CB 3.28Å; L576-C580 WeakPolarHBondContact O-CB 3.29Å; L576-C580 PolarHBondContact O-N 3.19Å |
| 577 | F | 91.1 | Very high | 88.3 | Confident | 134 Ų | 134 | 101.7 Ų | 101.7 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.3 | -45.3 | 174 | 179.8 | -97 | 0 | 0 | 0 | 111.8 | C573 H574 L575 I579 C580 H581 | C573-F577 WeakPolarHBondContact O-CB 3.3Å; C573-F577 PolarHBondContact O-N 3.01Å; H574-F577 PolarHBondContact O-N 3.3Å; L575-F577 VanDerWaalsContact C-N 3.32Å; L575-F577 PolarHBondContact O-N 3.49Å; F577-I579 PolarHBondContact O-N 3.4Å; F577-C580 PolarHBondContact O-N 3.15Å; F577-H581 WeakPolarHBondContact O-CB 3.48Å; F577-H581 PolarHBondContact O-N 2.98Å |
| 578 | L | 89.7 | Confident | 88.3 | Confident | 101 Ų | 101 | 101.3 Ų | 101.3 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 175.4 | -73.3 | 167 | 0 | 0 | 0 | 111.9 | H574 L575 H581 S582 | H574-L578 WeakPolarHBondContact O-CG 3.47Å; H574-L578 PolarHBondContact O-N 3.5Å; L575-L578 PolarHBondContact O-N 3.31Å; L578-H581 PolarHBondContact O-N 2.86Å; L578-S582 WeakPolarHBondContact O-CB 3.33Å; L578-S582 PolarHBondContact O-N 3.08Å |
| 579 | I | 91.2 | Very high | 88.2 | Confident | 87 Ų | 87 | 100.6 Ų | 100.6 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -47.1 | 176.2 | -68.2 | 164.9 | 0 | 0 | 0 | 110.2 | L575 L576 F577 H581 S582 V583 | L575-I579 HydrophobicContact CD2-CD1 4.4Å; L575-I579 VanDerWaalsContact O-CG1 3.27Å; L575-I579 WeakPolarHBondContact O-CG1 3.32Å; L575-I579 PolarHBondContact O-N 3.26Å; L576-I579 PolarHBondContact O-N 2.83Å; F577-I579 PolarHBondContact O-N 3.4Å; I579-H581 VanDerWaalsContact C-N 3.35Å; I579-H581 PolarHBondContact O-N 3.22Å; I579-S582 PolarHBondContact O-N 2.9Å; I579-S582 PolarHBondContact O-OG 2.89Å; I579-V583 HydrophobicContact CG2-CG2 4.45Å; I579-V583 WeakPolarHBondContact O-CG2 3.48Å; I579-V583 PolarHBondContact O-N 2.91Å |
| 580 | C | 86 | Confident | 88.5 | Confident | 80 Ų | 80 | 101.6 Ų | 101.6 | 54% | 0.541 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 179.4 | -158.7 | 0 | 0 | 0 | 0 | 111.5 | L576 F577 S582 V583 Q584 | L576-C580 VanDerWaalsContact O-CB 3.28Å; L576-C580 WeakPolarHBondContact O-CB 3.29Å; L576-C580 PolarHBondContact O-N 3.19Å; F577-C580 PolarHBondContact O-N 3.15Å; C580-S582 PolarHBondContact O-N 3.5Å; C580-V583 PolarHBondContact O-N 2.91Å; C580-Q584 WeakPolarHBondContact O-CB 3.31Å; C580-Q584 PolarHBondContact O-N 2.96Å |
| 581 | H | 87.3 | Confident | 88.6 | Confident | 112 Ų | 112 | 99.8 Ų | 99.8 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 173.9 | -170 | 71.8 | 0 | 0 | 0 | 111.9 | F577 L578 I579 V583 Q584 V585 | F577-H581 WeakPolarHBondContact O-CB 3.48Å; F577-H581 PolarHBondContact O-N 2.98Å; L578-H581 PolarHBondContact O-N 2.86Å; I579-H581 VanDerWaalsContact C-N 3.35Å; I579-H581 PolarHBondContact O-N 3.22Å; H581-V583 PolarHBondContact O-N 3.33Å; H581-Q584 WeakPolarHBondContact O-CB 3.31Å; H581-Q584 PolarHBondContact O-N 2.94Å; H581-V585 WeakPolarHBondContact O-CG2 3.41Å; H581-V585 PolarHBondContact O-N 3.18Å |
| 582 | S | 85.3 | Confident | 88.7 | Confident | 49 Ų | 49 | 98 Ų | 98 | 34% | 0.343 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 176.1 | 76.3 | 0 | 0 | 0 | 0 | 111.9 | L578 I579 C580 Q584 V585 Y586 | L578-S582 WeakPolarHBondContact O-CB 3.33Å; L578-S582 PolarHBondContact O-N 3.08Å; I579-S582 PolarHBondContact O-N 2.9Å; I579-S582 PolarHBondContact O-OG 2.89Å; C580-S582 PolarHBondContact O-N 3.5Å; S582-Q584 VanDerWaalsContact C-N 3.34Å; S582-Q584 PolarHBondContact O-N 3.39Å; S582-V585 PolarHBondContact O-N 2.91Å; S582-Y586 WeakPolarHBondContact O-CD2 3.4Å; S582-Y586 PolarHBondContact O-N 3.4Å |
| 583 | V | 89.1 | Confident | 88.8 | Confident | 91 Ų | 91 | 98.8 Ų | 98.8 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -38 | 177.4 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | I579 C580 H581 Y586 S587 | I579-V583 HydrophobicContact CG2-CG2 4.45Å; I579-V583 WeakPolarHBondContact O-CG2 3.48Å; I579-V583 PolarHBondContact O-N 2.91Å; C580-V583 PolarHBondContact O-N 2.91Å; H581-V583 PolarHBondContact O-N 3.33Å; V583-Y586 PolarHBondContact O-N 2.89Å; V583-S587 WeakPolarHBondContact O-CB 3.4Å; V583-S587 PolarHBondContact O-N 3.27Å; V583-S587 PolarHBondContact O-OG 3.19Å |
| 584 | Q | 89.4 | Confident | 89.2 | Confident | 111 Ų | 111 | 97.9 Ų | 97.9 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 174.1 | -169.9 | 97.9 | 0.4 | 0 | 0 | 110.7 | C580 H581 S582 Y586 S587 Q588 | C580-Q584 WeakPolarHBondContact O-CB 3.31Å; C580-Q584 PolarHBondContact O-N 2.96Å; H581-Q584 WeakPolarHBondContact O-CB 3.31Å; H581-Q584 PolarHBondContact O-N 2.94Å; S582-Q584 VanDerWaalsContact C-N 3.34Å; S582-Q584 PolarHBondContact O-N 3.39Å; Q584-Y586 PolarHBondContact O-N 3.42Å; Q584-S587 PolarHBondContact O-N 2.95Å; Q584-S587 VanDerWaalsContact O-N 3.16Å; Q584-S587 PolarHBondContact O-OG 2.99Å; Q584-Q588 PolarHBondContact O-N 3.49Å |
| 585 | V | 91.3 | Very high | 89.4 | Confident | 49 Ų | 49 | 98.6 Ų | 98.6 | 30% | 0.297 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 178.8 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | H581 S582 S587 Q588 H589 | H581-V585 WeakPolarHBondContact O-CG2 3.41Å; H581-V585 PolarHBondContact O-N 3.18Å; S582-V585 PolarHBondContact O-N 2.91Å; V585-S587 VanDerWaalsContact C-N 3.31Å; V585-S587 PolarHBondContact O-N 3.36Å; V585-Q588 PolarHBondContact O-N 2.89Å; V585-H589 PolarHBondContact O-CD2 3.25Å; V585-H589 PolarHBondContact O-N 3.42Å |
| 586 | Y | 85 | Confident | 89.4 | Confident | 168 Ų | 168 | 99.4 Ų | 99.4 | 66% | 0.659 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -37.9 | 174.5 | -85 | -69.8 | 0 | 0 | 0 | 112.7 | S582 V583 Q584 H589 L590 | S582-Y586 WeakPolarHBondContact O-CD2 3.4Å; S582-Y586 PolarHBondContact O-N 3.4Å; V583-Y586 PolarHBondContact O-N 2.89Å; Q584-Y586 PolarHBondContact O-N 3.42Å; Y586-H589 PolarHBondContact O-N 3.45Å; Y586-L590 WeakPolarHBondContact O-CG 3.35Å; Y586-L590 PolarHBondContact O-N 2.91Å |
| 587 | S | 87.1 | Confident | 89.5 | Confident | 61 Ų | 61 | 101.6 Ų | 101.6 | 43% | 0.427 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.9 | -35.3 | 177.5 | 70.5 | 0 | 0 | 0 | 0 | 112.8 | V583 Q584 V585 L590 A591 | V583-S587 WeakPolarHBondContact O-CB 3.4Å; V583-S587 PolarHBondContact O-N 3.27Å; V583-S587 PolarHBondContact O-OG 3.19Å; Q584-S587 PolarHBondContact O-N 2.95Å; Q584-S587 VanDerWaalsContact O-N 3.16Å; Q584-S587 PolarHBondContact O-OG 2.99Å; V585-S587 VanDerWaalsContact C-N 3.31Å; V585-S587 PolarHBondContact O-N 3.36Å; S587-L590 PolarHBondContact O-N 2.66Å; S587-A591 PolarHBondContact O-N 3.43Å; S587-A591 VanDerWaalsContact O-N 3.1Å |
| 588 | Q | 89.1 | Confident | 89.5 | Confident | 109 Ų | 109 | 98.6 Ų | 98.6 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 171.6 | -78.6 | 178.7 | -27.2 | 0 | 0 | 111.7 | Q584 V585 L590 A591 E592 | Q584-Q588 PolarHBondContact O-N 3.49Å; V585-Q588 PolarHBondContact O-N 2.89Å; Q588-L590 VanDerWaalsContact C-N 3.3Å; Q588-L590 PolarHBondContact O-N 2.95Å; Q588-A591 WeakPolarHBondContact O-CB 3.33Å; Q588-A591 PolarHBondContact O-N 3.46Å; Q588-A591 VanDerWaalsContact O-N 3.08Å; Q588-E592 WeakPolarHBondContact O-CG 3.38Å; Q588-E592 PolarHBondContact O-N 3.04Å |
| 589 | H | 89.6 | Confident | 89.7 | Confident | 106 Ų | 106 | 97.7 Ų | 97.7 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -35.3 | 177.1 | -73.9 | -47.1 | 0 | 0 | 0 | 113.2 | V585 Y586 A591 E592 L593 | V585-H589 PolarHBondContact O-CD2 3.25Å; V585-H589 PolarHBondContact O-N 3.42Å; Y586-H589 PolarHBondContact O-N 3.45Å; H589-A591 VanDerWaalsContact C-N 3.34Å; H589-E592 IonicContact CE1-OE2 3.24Å; H589-E592 IonicContact ND1-OE2 2.88Å; H589-E592 PolarHBondContact ND1-OE2 3.48Å; H589-E592 PolarHBondContact O-N 3.12Å; H589-L593 WeakPolarHBondContact O-CB 3.41Å; H589-L593 PolarHBondContact O-N 2.97Å |
| 590 | L | 90.6 | Very high | 89.8 | Confident | 119 Ų | 119 | 97.4 Ų | 97.4 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -36.4 | 173.7 | -76.8 | 170.6 | 0 | 0 | 0 | 112.3 | Y586 S587 Q588 A594 | Y586-L590 WeakPolarHBondContact O-CG 3.35Å; Y586-L590 PolarHBondContact O-N 2.91Å; S587-L590 PolarHBondContact O-N 2.66Å; Q588-L590 VanDerWaalsContact C-N 3.3Å; Q588-L590 PolarHBondContact O-N 2.95Å; L590-A594 WeakPolarHBondContact O-CB 3.35Å; L590-A594 PolarHBondContact O-N 2.86Å |
| 591 | A | 90.1 | Very high | 90.1 | Very high | 61 Ų | 61 | 97.5 Ų | 97.5 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.7 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | S587 Q588 H589 L593 A594 Q595 | S587-A591 PolarHBondContact O-N 3.43Å; S587-A591 VanDerWaalsContact O-N 3.1Å; Q588-A591 WeakPolarHBondContact O-CB 3.33Å; Q588-A591 PolarHBondContact O-N 3.46Å; Q588-A591 VanDerWaalsContact O-N 3.08Å; H589-A591 VanDerWaalsContact C-N 3.34Å; A591-L593 VanDerWaalsContact C-N 3.34Å; A591-L593 PolarHBondContact O-N 3.21Å; A591-A594 WeakPolarHBondContact O-CB 3.4Å; A591-A594 PolarHBondContact O-N 3.21Å; A591-Q595 PolarHBondContact O-N 2.81Å |
| 592 | E | 91.6 | Very high | 90.5 | Very high | 100 Ų | 100 | 97 Ų | 97 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 173.9 | -71.7 | 173 | 168.2 | 0 | 0 | 111.4 | Q588 H589 A594 Q595 Q596 | Q588-E592 WeakPolarHBondContact O-CG 3.38Å; Q588-E592 PolarHBondContact O-N 3.04Å; H589-E592 IonicContact CE1-OE2 3.24Å; H589-E592 IonicContact ND1-OE2 2.88Å; H589-E592 PolarHBondContact ND1-OE2 3.48Å; H589-E592 PolarHBondContact O-N 3.12Å; E592-A594 VanDerWaalsContact C-N 3.32Å; E592-A594 PolarHBondContact O-N 3.41Å; E592-Q595 PolarHBondContact O-N 3Å; E592-Q596 WeakPolarHBondContact O-CG 3.5Å; E592-Q596 PolarHBondContact O-N 2.94Å |
| 593 | L | 91.6 | Very high | 90.9 | Very high | 111 Ų | 111 | 98.7 Ų | 98.7 | 58% | 0.581 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -39 | 176.6 | -161.1 | 87.1 | 0 | 0 | 0 | 111.6 | H589 A591 K597 | H589-L593 WeakPolarHBondContact O-CB 3.41Å; H589-L593 PolarHBondContact O-N 2.97Å; A591-L593 VanDerWaalsContact C-N 3.34Å; A591-L593 PolarHBondContact O-N 3.21Å; L593-K597 WeakPolarHBondContact O-CB 3.43Å; L593-K597 PolarHBondContact O-N 3.17Å |
| 594 | A | 89.9 | Confident | 91 | Very high | 61 Ų | 61 | 97 Ų | 97 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L590 A591 E592 K597 S598 | L590-A594 WeakPolarHBondContact O-CB 3.35Å; L590-A594 PolarHBondContact O-N 2.86Å; A591-A594 WeakPolarHBondContact O-CB 3.4Å; A591-A594 PolarHBondContact O-N 3.21Å; E592-A594 VanDerWaalsContact C-N 3.32Å; E592-A594 PolarHBondContact O-N 3.41Å; A594-K597 PolarHBondContact O-N 3.11Å; A594-S598 PolarHBondContact O-N 3.05Å |
| 595 | Q | 92.4 | Very high | 91.3 | Very high | 141 Ų | 141 | 99.2 Ų | 99.2 | 66% | 0.659 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.7 | -47 | 176.1 | -173.3 | -179.9 | -3 | 0 | 0 | 111.5 | A591 E592 K597 S598 E599 | A591-Q595 PolarHBondContact O-N 2.81Å; E592-Q595 PolarHBondContact O-N 3Å; Q595-K597 VanDerWaalsContact C-N 3.26Å; Q595-K597 PolarHBondContact O-N 3.49Å; Q595-S598 PolarHBondContact O-N 2.91Å; Q595-S598 VanDerWaalsContact O-N 3.15Å; Q595-S598 PolarHBondContact O-OG 3.24Å; Q595-E599 PolarHBondContact O-N 3.34Å |
| 596 | Q | 91.4 | Very high | 91.4 | Very high | 127 Ų | 127 | 100.7 Ų | 100.7 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.8 | -39.8 | 175 | -74.1 | -176.8 | -4.8 | 0 | 0 | 111.6 | E592 E599 V600 | E592-Q596 WeakPolarHBondContact O-CG 3.5Å; E592-Q596 PolarHBondContact O-N 2.94Å; Q596-E599 PolarHBondContact O-N 3.49Å; Q596-V600 WeakPolarHBondContact O-CG2 3.42Å; Q596-V600 PolarHBondContact O-N 2.97Å |
| 597 | K | 91.6 | Very high | 91.8 | Very high | 155 Ų | 155 | 99.5 Ų | 99.5 | 67% | 0.674 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 176.3 | -171.2 | 176.7 | -179.1 | 179.3 | 0 | 112.5 | L593 A594 Q595 E599 V600 V601 | L593-K597 WeakPolarHBondContact O-CB 3.43Å; L593-K597 PolarHBondContact O-N 3.17Å; A594-K597 PolarHBondContact O-N 3.11Å; Q595-K597 VanDerWaalsContact C-N 3.26Å; Q595-K597 PolarHBondContact O-N 3.49Å; K597-E599 VanDerWaalsContact C-N 3.3Å; K597-E599 PolarHBondContact O-N 3.25Å; K597-V600 PolarHBondContact O-N 3.13Å; K597-V601 WeakPolarHBondContact O-CG2 3.28Å; K597-V601 PolarHBondContact O-N 3.38Å; K597-V601 VanDerWaalsContact O-N 3.15Å |
| 598 | S | 90.8 | Very high | 92.1 | Very high | 71 Ų | 71 | 103.4 Ų | 103.4 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 174.9 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | A594 Q595 V601 R602 | A594-S598 PolarHBondContact O-N 3.05Å; Q595-S598 PolarHBondContact O-N 2.91Å; Q595-S598 VanDerWaalsContact O-N 3.15Å; Q595-S598 PolarHBondContact O-OG 3.24Å; S598-V601 PolarHBondContact O-N 3.34Å; S598-R602 PolarHBondContact O-N 3.01Å |
| 599 | E | 93.8 | Very high | 92.4 | Very high | 82 Ų | 82 | 103.4 Ų | 103.4 | 38% | 0.383 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -41.4 | 178.9 | -174.3 | 66.3 | 174.9 | 0 | 0 | 111.8 | Q595 Q596 K597 V601 R602 L603 | Q595-E599 PolarHBondContact O-N 3.34Å; Q596-E599 PolarHBondContact O-N 3.49Å; K597-E599 VanDerWaalsContact C-N 3.3Å; K597-E599 PolarHBondContact O-N 3.25Å; E599-V601 VanDerWaalsContact C-N 3.31Å; E599-V601 PolarHBondContact O-N 3.04Å; E599-R602 WeakPolarHBondContact O-CB 3.36Å; E599-R602 PolarHBondContact O-N 3.46Å; E599-R602 IonicContact OE1-CZ 3.6Å; E599-R602 IonicContact OE1-NE 2.8Å; E599-R602 IonicContact OE1-NH2 2.71Å; E599-R602 PolarHBondContact OE1-NH2 2.84Å; E599-R602 IonicContact OE2-CZ 3.33Å; E599-R602 IonicContact OE2-NE 3.86Å; E599-R602 PolarHBondContact OE2-NE 3.29Å; E599-R602 IonicContact OE2-NH2 3.02Å; E599-L603 HydrophobicContact CG-CD1 4.31Å; E599-L603 WeakPolarHBondContact O-CG 3.37Å; E599-L603 PolarHBondContact O-N 3.5Å |
| 600 | V | 92.5 | Very high | 92.6 | Very high | 81 Ų | 81 | 104.3 Ų | 104.3 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 172.8 | 171.8 | 0 | 0 | 0 | 0 | 111 | Q596 K597 R602 L603 D604 | Q596-V600 WeakPolarHBondContact O-CG2 3.42Å; Q596-V600 PolarHBondContact O-N 2.97Å; K597-V600 PolarHBondContact O-N 3.13Å; V600-R602 VanDerWaalsContact C-N 3.32Å; V600-R602 PolarHBondContact O-N 2.88Å; V600-L603 PolarHBondContact O-N 3.42Å; V600-D604 WeakPolarHBondContact O-CB 3.1Å; V600-D604 PolarHBondContact O-N 3.23Å |
| 601 | V | 93.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 104 Ų | 104 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 177 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | K597 S598 E599 R605 | K597-V601 WeakPolarHBondContact O-CG2 3.28Å; K597-V601 PolarHBondContact O-N 3.38Å; K597-V601 VanDerWaalsContact O-N 3.15Å; S598-V601 PolarHBondContact O-N 3.34Å; E599-V601 VanDerWaalsContact C-N 3.31Å; E599-V601 PolarHBondContact O-N 3.04Å; V601-R605 PolarHBondContact O-N 3.21Å; V601-R605 VanDerWaalsContact O-N 3.11Å |
| 602 | R | 95.1 | Very high | 93 | Very high | 100 Ų | 100 | 105.7 Ų | 105.7 | 38% | 0.377 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -50.1 | 175.3 | -171.9 | -172.1 | 67.7 | 76.1 | 2.6 | 111 | S598 E599 V600 D604 R605 E606 | S598-R602 PolarHBondContact O-N 3.01Å; E599-R602 WeakPolarHBondContact O-CB 3.36Å; E599-R602 PolarHBondContact O-N 3.46Å; E599-R602 IonicContact OE1-CZ 3.6Å; E599-R602 IonicContact OE1-NE 2.8Å; E599-R602 IonicContact OE1-NH2 2.71Å; E599-R602 PolarHBondContact OE1-NH2 2.84Å; E599-R602 IonicContact OE2-CZ 3.33Å; E599-R602 IonicContact OE2-NE 3.86Å; E599-R602 PolarHBondContact OE2-NE 3.29Å; E599-R602 IonicContact OE2-NH2 3.02Å; V600-R602 VanDerWaalsContact C-N 3.32Å; V600-R602 PolarHBondContact O-N 2.88Å; R602-D604 VanDerWaalsContact C-N 3.33Å; R602-D604 PolarHBondContact O-N 3.38Å; R602-R605 WeakPolarHBondContact O-CA 3.46Å; R602-R605 VanDerWaalsContact O-CB 3.26Å; R602-R605 WeakPolarHBondContact O-CB 3.37Å; R602-R605 PolarHBondContact O-N 2.98Å; R602-E606 IonicContact CZ-OE1 3.16Å; R602-E606 IonicContact CZ-OE2 3.66Å; R602-E606 IonicContact NH1-OE1 3.71Å; R602-E606 PolarHBondContact NH1-OE1 3.44Å; R602-E606 IonicContact NH1-OE2 2.81Å; R602-E606 PolarHBondContact NH1-OE2 2.9Å; R602-E606 PolarHBondContact O-N 3.38Å |
| 603 | L | 92.8 | Very high | 93.2 | Very high | 86 Ų | 86 | 104.3 Ų | 104.3 | 45% | 0.45 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 178.3 | -69.3 | 172.5 | 0 | 0 | 0 | 112.3 | E599 V600 R605 E606 R607 | E599-L603 HydrophobicContact CG-CD1 4.31Å; E599-L603 WeakPolarHBondContact O-CG 3.37Å; E599-L603 PolarHBondContact O-N 3.5Å; V600-L603 PolarHBondContact O-N 3.42Å; L603-R605 VanDerWaalsContact C-N 3.26Å; L603-R605 PolarHBondContact O-N 2.85Å; L603-E606 PolarHBondContact O-N 3.37Å; L603-R607 WeakPolarHBondContact O-CB 3.48Å; L603-R607 PolarHBondContact O-N 2.99Å |
| 604 | D | 92.3 | Very high | 93.3 | Very high | 55 Ų | 55 | 103.6 Ų | 103.6 | 29% | 0.294 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.9 | -26.4 | 173.9 | -88.9 | -26.6 | 0 | 0 | 0 | 112.9 | V600 R602 R607 R608 | V600-D604 WeakPolarHBondContact O-CB 3.1Å; V600-D604 PolarHBondContact O-N 3.23Å; R602-D604 VanDerWaalsContact C-N 3.33Å; R602-D604 PolarHBondContact O-N 3.38Å; D604-R607 IonicContact OD1-CZ 2.86Å; D604-R607 IonicContact OD1-NH1 3.01Å; D604-R607 PolarHBondContact OD1-NH1 3.21Å; D604-R607 IonicContact OD1-NH2 3.8Å; D604-R607 PolarHBondContact OD1-NH2 2.86Å; D604-R608 WeakPolarHBondContact O-CG 3.33Å; D604-R608 PolarHBondContact O-N 3.3Å; D604-R608 PolarHBondContact O-NE 3.45Å |
| 605 | R | 94.3 | Very high | 93.5 | Very high | 157 Ų | 157 | 103.5 Ų | 103.5 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -72.8 | -50.4 | 172.3 | -164 | -168.3 | -153.7 | 115.3 | 3 | 110.5 | V601 R602 L603 R607 R608 E609 | V601-R605 PolarHBondContact O-N 3.21Å; V601-R605 VanDerWaalsContact O-N 3.11Å; R602-R605 WeakPolarHBondContact O-CA 3.46Å; R602-R605 VanDerWaalsContact O-CB 3.26Å; R602-R605 WeakPolarHBondContact O-CB 3.37Å; R602-R605 PolarHBondContact O-N 2.98Å; L603-R605 VanDerWaalsContact C-N 3.26Å; L603-R605 PolarHBondContact O-N 2.85Å; R605-R607 VanDerWaalsContact C-N 3.31Å; R605-R607 PolarHBondContact O-N 2.9Å; R605-R608 WeakPolarHBondContact O-CB 3.47Å; R605-R608 PolarHBondContact O-N 2.97Å; R605-E609 WeakPolarHBondContact CG-OE1 3.45Å; R605-E609 IonicContact NE-OE1 3.67Å; R605-E609 PolarHBondContact O-N 3.4Å |
| 606 | E | 94.6 | Very high | 93.5 | Very high | 81 Ų | 81 | 101.4 Ų | 101.4 | 38% | 0.379 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 177.9 | -72.7 | 175.9 | 178.9 | 0 | 0 | 111.6 | R602 L603 R608 E609 L610 | R602-E606 IonicContact CZ-OE1 3.16Å; R602-E606 IonicContact CZ-OE2 3.66Å; R602-E606 IonicContact NH1-OE1 3.71Å; R602-E606 PolarHBondContact NH1-OE1 3.44Å; R602-E606 IonicContact NH1-OE2 2.81Å; R602-E606 PolarHBondContact NH1-OE2 2.9Å; R602-E606 PolarHBondContact O-N 3.38Å; L603-E606 PolarHBondContact O-N 3.37Å; E606-R608 VanDerWaalsContact C-N 3.31Å; E606-R608 PolarHBondContact O-N 3.43Å; E606-E609 PolarHBondContact O-N 3.32Å; E606-L610 WeakPolarHBondContact O-CB 3.47Å; E606-L610 WeakPolarHBondContact O-CG 3.32Å; E606-L610 PolarHBondContact O-N 3.18Å |
| 607 | R | 93.3 | Very high | 93.7 | Very high | 142 Ų | 142 | 100.8 Ų | 100.8 | 54% | 0.536 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 173.8 | -171.2 | -173.7 | 70.4 | -133.2 | -11.9 | 111.6 | L603 D604 R605 Q611 | L603-R607 WeakPolarHBondContact O-CB 3.48Å; L603-R607 PolarHBondContact O-N 2.99Å; D604-R607 IonicContact OD1-CZ 2.86Å; D604-R607 IonicContact OD1-NH1 3.01Å; D604-R607 PolarHBondContact OD1-NH1 3.21Å; D604-R607 IonicContact OD1-NH2 3.8Å; D604-R607 PolarHBondContact OD1-NH2 2.86Å; R605-R607 VanDerWaalsContact C-N 3.31Å; R605-R607 PolarHBondContact O-N 2.9Å; R607-Q611 WeakPolarHBondContact O-CB 3.48Å; R607-Q611 PolarHBondContact O-N 3.13Å |
| 608 | R | 94 | Very high | 93.7 | Very high | 144 Ų | 144 | 97.6 Ų | 97.6 | 54% | 0.543 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.1 | -41 | 178.3 | -82.1 | -176.5 | -72.9 | 161.3 | -4.9 | 112.1 | D604 R605 E606 Q611 N612 | D604-R608 WeakPolarHBondContact O-CG 3.33Å; D604-R608 PolarHBondContact O-N 3.3Å; D604-R608 PolarHBondContact O-NE 3.45Å; R605-R608 WeakPolarHBondContact O-CB 3.47Å; R605-R608 PolarHBondContact O-N 2.97Å; E606-R608 VanDerWaalsContact C-N 3.31Å; E606-R608 PolarHBondContact O-N 3.43Å; R608-Q611 PolarHBondContact O-N 3.32Å; R608-N612 WeakPolarHBondContact O-CB 3.44Å; R608-N612 PolarHBondContact O-N 2.99Å; R608-N612 PolarHBondContact O-OD1 2.87Å |
| 609 | E | 94.4 | Very high | 93.9 | Very high | 108 Ų | 108 | 100.4 Ų | 100.4 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.3 | -72.1 | 169.3 | -170.2 | 0 | 0 | 111.3 | R605 E606 Q611 N612 S613 | R605-E609 WeakPolarHBondContact CG-OE1 3.45Å; R605-E609 IonicContact NE-OE1 3.67Å; R605-E609 PolarHBondContact O-N 3.4Å; E606-E609 PolarHBondContact O-N 3.32Å; E609-Q611 VanDerWaalsContact C-N 3.33Å; E609-Q611 PolarHBondContact O-N 2.9Å; E609-N612 PolarHBondContact O-N 3.38Å; E609-S613 PolarHBondContact O-N 3.42Å |
| 610 | L | 94.8 | Very high | 93.9 | Very high | 125 Ų | 125 | 102.3 Ų | 102.3 | 65% | 0.654 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.6 | -40 | 173.9 | -71.2 | 174 | 0 | 0 | 0 | 112.1 | E606 S613 L614 | E606-L610 WeakPolarHBondContact O-CB 3.47Å; E606-L610 WeakPolarHBondContact O-CG 3.32Å; E606-L610 PolarHBondContact O-N 3.18Å; L610-S613 PolarHBondContact O-N 2.9Å; L610-L614 WeakPolarHBondContact O-CB 3.36Å; L610-L614 PolarHBondContact O-N 3.37Å |
| 611 | Q | 94.3 | Very high | 94 | Very high | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 177.6 | -173.9 | 165.8 | -5.3 | 0 | 0 | 111.6 | R607 R608 E609 L614 T615 | R607-Q611 WeakPolarHBondContact O-CB 3.48Å; R607-Q611 PolarHBondContact O-N 3.13Å; R608-Q611 PolarHBondContact O-N 3.32Å; E609-Q611 VanDerWaalsContact C-N 3.33Å; E609-Q611 PolarHBondContact O-N 2.9Å; Q611-L614 PolarHBondContact O-N 3.2Å; Q611-T615 WeakPolarHBondContact O-CG2 3.4Å; Q611-T615 PolarHBondContact O-N 3.01Å; Q611-T615 PolarHBondContact O-OG1 3.28Å |
| 612 | N | 93.9 | Very high | 94 | Very high | 96 Ų | 96 | 104.6 Ų | 104.6 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 174.9 | -69.4 | -9.6 | 0 | 0 | 0 | 111.5 | R608 E609 L614 T615 D616 | R608-N612 WeakPolarHBondContact O-CB 3.44Å; R608-N612 PolarHBondContact O-N 2.99Å; R608-N612 PolarHBondContact O-OD1 2.87Å; E609-N612 PolarHBondContact O-N 3.38Å; N612-L614 VanDerWaalsContact C-N 3.29Å; N612-L614 PolarHBondContact O-N 2.96Å; N612-T615 WeakPolarHBondContact CA-OG1 3.15Å; N612-T615 PolarHBondContact O-N 3.44Å; N612-T615 PolarHBondContact O-OG1 2.91Å; N612-D616 VanDerWaalsContact O-CG 3.25Å; N612-D616 PolarHBondContact O-N 2.87Å |
| 613 | S | 95.3 | Very high | 94 | Very high | 70 Ų | 70 | 104.3 Ų | 104.3 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 176 | 179.8 | 0 | 0 | 0 | 0 | 112 | E609 L610 D616 Q617 | E609-S613 PolarHBondContact O-N 3.42Å; L610-S613 PolarHBondContact O-N 2.9Å; S613-D616 PolarHBondContact O-N 3.28Å; S613-Q617 WeakPolarHBondContact O-CB 3.4Å; S613-Q617 PolarHBondContact O-N 3.06Å |
| 614 | L | 94.3 | Very high | 94.1 | Very high | 96 Ų | 96 | 103.5 Ų | 103.5 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 176.3 | -176.8 | 64.7 | 0 | 0 | 0 | 111.6 | L610 Q611 N612 N618 | L610-L614 WeakPolarHBondContact O-CB 3.36Å; L610-L614 PolarHBondContact O-N 3.37Å; Q611-L614 PolarHBondContact O-N 3.2Å; N612-L614 VanDerWaalsContact C-N 3.29Å; N612-L614 PolarHBondContact O-N 2.96Å; L614-N618 WeakPolarHBondContact O-CB 3.49Å; L614-N618 VanDerWaalsContact O-CG 3.27Å; L614-N618 PolarHBondContact O-N 3.39Å; L614-N618 PolarHBondContact O-ND2 3.42Å |
| 615 | T | 92.8 | Very high | 94.1 | Very high | 59 Ų | 59 | 104.9 Ų | 104.9 | 36% | 0.362 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.9 | -41.7 | 175.3 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | Q611 N612 N618 Q619 | Q611-T615 WeakPolarHBondContact O-CG2 3.4Å; Q611-T615 PolarHBondContact O-N 3.01Å; Q611-T615 PolarHBondContact O-OG1 3.28Å; N612-T615 WeakPolarHBondContact CA-OG1 3.15Å; N612-T615 PolarHBondContact O-N 3.44Å; N612-T615 PolarHBondContact O-OG1 2.91Å; T615-N618 PolarHBondContact O-N 2.98Å; T615-Q619 WeakPolarHBondContact O-CG 3.39Å; T615-Q619 PolarHBondContact O-N 2.84Å |
| 616 | D | 94.3 | Very high | 94.1 | Very high | 97 Ų | 97 | 100.7 Ų | 100.7 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65 | -43 | 178.3 | -66.6 | -10 | 0 | 0 | 0 | 110.8 | N612 S613 N618 Q619 H620 | N612-D616 VanDerWaalsContact O-CG 3.25Å; N612-D616 PolarHBondContact O-N 2.87Å; S613-D616 PolarHBondContact O-N 3.28Å; D616-N618 VanDerWaalsContact C-N 3.35Å; D616-N618 PolarHBondContact O-N 3Å; D616-Q619 PolarHBondContact O-N 3.21Å; D616-H620 WeakPolarHBondContact O-CB 3.39Å; D616-H620 PolarHBondContact O-N 2.93Å |
| 617 | Q | 94.8 | Very high | 94.1 | Very high | 115 Ų | 115 | 100.6 Ų | 100.6 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 175.7 | -168.6 | 179.6 | -2.7 | 0 | 0 | 111.9 | S613 H620 L621 | S613-Q617 WeakPolarHBondContact O-CB 3.4Å; S613-Q617 PolarHBondContact O-N 3.06Å; Q617-H620 PolarHBondContact O-N 2.99Å; Q617-L621 HydrophobicContact CG-CD1 4.35Å; Q617-L621 WeakPolarHBondContact O-CB 3.49Å; Q617-L621 WeakPolarHBondContact O-CG 3.3Å; Q617-L621 PolarHBondContact O-N 2.7Å |
| 618 | N | 91.8 | Very high | 94.1 | Very high | 88 Ų | 88 | 99.4 Ų | 99.4 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 175.5 | -78.3 | -38.3 | 0 | 0 | 0 | 112.1 | L614 T615 D616 L621 H622 | L614-N618 WeakPolarHBondContact O-CB 3.49Å; L614-N618 VanDerWaalsContact O-CG 3.27Å; L614-N618 PolarHBondContact O-N 3.39Å; L614-N618 PolarHBondContact O-ND2 3.42Å; T615-N618 PolarHBondContact O-N 2.98Å; D616-N618 VanDerWaalsContact C-N 3.35Å; D616-N618 PolarHBondContact O-N 3Å; N618-L621 PolarHBondContact O-N 3.44Å; N618-H622 VanDerWaalsContact O-CB 3.32Å; N618-H622 WeakPolarHBondContact O-CB 3.44Å; N618-H622 PolarHBondContact O-N 3.24Å |
| 619 | Q | 94.3 | Very high | 94 | Very high | 130 Ų | 130 | 97.6 Ų | 97.6 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.5 | -44.5 | 174 | -73.6 | 176.8 | 6.3 | 0 | 0 | 111.1 | T615 D616 H622 Q623 | T615-Q619 WeakPolarHBondContact O-CG 3.39Å; T615-Q619 PolarHBondContact O-N 2.84Å; D616-Q619 PolarHBondContact O-N 3.21Å; Q619-H622 PolarHBondContact O-N 2.88Å; Q619-Q623 PolarHBondContact O-N 3.18Å |
| 620 | H | 94.5 | Very high | 94 | Very high | 122 Ų | 122 | 98.1 Ų | 98.1 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.3 | -48.4 | 175.6 | -179.2 | -80.2 | 0 | 0 | 0 | 111.8 | D616 Q617 H622 Q623 E624 | D616-H620 WeakPolarHBondContact O-CB 3.39Å; D616-H620 PolarHBondContact O-N 2.93Å; Q617-H620 PolarHBondContact O-N 2.99Å; H620-H622 VanDerWaalsContact C-N 3.29Å; H620-H622 PolarHBondContact O-N 2.86Å; H620-Q623 PolarHBondContact O-N 3.37Å; H620-E624 IonicContact CE1-OE2 3.86Å; H620-E624 WeakPolarHBondContact O-CB 3.3Å; H620-E624 PolarHBondContact O-N 2.88Å |
| 621 | L | 94.6 | Very high | 93.9 | Very high | 79 Ų | 79 | 94.4 Ų | 94.4 | 41% | 0.414 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 176.9 | -77.4 | 171.1 | 0 | 0 | 0 | 112.2 | Q617 N618 T625 | Q617-L621 HydrophobicContact CG-CD1 4.35Å; Q617-L621 WeakPolarHBondContact O-CB 3.49Å; Q617-L621 WeakPolarHBondContact O-CG 3.3Å; Q617-L621 PolarHBondContact O-N 2.7Å; N618-L621 PolarHBondContact O-N 3.44Å; L621-T625 WeakPolarHBondContact O-CB 3.3Å; L621-T625 PolarHBondContact O-N 3.37Å; L621-T625 PolarHBondContact O-OG1 3.44Å |
| 622 | H | 93.8 | Very high | 93.9 | Very high | 132 Ų | 132 | 92.3 Ų | 92.3 | 61% | 0.611 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.3 | -45.3 | 175.6 | -172.3 | 67.1 | 0 | 0 | 0 | 111.3 | N618 Q619 H620 T625 L626 | N618-H622 VanDerWaalsContact O-CB 3.32Å; N618-H622 WeakPolarHBondContact O-CB 3.44Å; N618-H622 PolarHBondContact O-N 3.24Å; Q619-H622 PolarHBondContact O-N 2.88Å; H620-H622 VanDerWaalsContact C-N 3.29Å; H620-H622 PolarHBondContact O-N 2.86Å; H622-T625 WeakPolarHBondContact O-CB 3.36Å; H622-T625 PolarHBondContact O-N 2.92Å; H622-L626 PolarHBondContact O-N 3.01Å |
| 623 | Q | 94.7 | Very high | 93.8 | Very high | 95 Ų | 95 | 94 Ų | 94 | 44% | 0.444 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 176.5 | -172 | 59.2 | 47.7 | 0 | 0 | 111.6 | Q619 H620 T625 L626 D627 | Q619-Q623 PolarHBondContact O-N 3.18Å; H620-Q623 PolarHBondContact O-N 3.37Å; Q623-T625 PolarHBondContact O-N 3.28Å; Q623-L626 WeakPolarHBondContact O-CB 3.41Å; Q623-L626 PolarHBondContact O-N 2.96Å; Q623-D627 PolarHBondContact NE2-OD1 2.85Å; Q623-D627 VanDerWaalsContact O-CG 3.31Å; Q623-D627 PolarHBondContact O-N 2.87Å |
| 624 | E | 94.3 | Very high | 93.7 | Very high | 69 Ų | 69 | 96.6 Ų | 96.6 | 32% | 0.322 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.2 | -36.5 | 176.8 | -169.4 | -171 | 161 | 0 | 0 | 111.7 | H620 D627 K628 | H620-E624 IonicContact CE1-OE2 3.86Å; H620-E624 WeakPolarHBondContact O-CB 3.3Å; H620-E624 PolarHBondContact O-N 2.88Å; E624-D627 PolarHBondContact O-N 3.42Å; E624-K628 HydrophobicContact CG-CD 4.47Å; E624-K628 WeakPolarHBondContact O-CB 3.44Å; E624-K628 VanDerWaalsContact O-CG 3.29Å; E624-K628 WeakPolarHBondContact O-CG 3.39Å; E624-K628 PolarHBondContact O-N 3.19Å; E624-K628 WeakPolarHBondContact OE1-CE 3.47Å; E624-K628 IonicContact OE1-NZ 2.63Å; E624-K628 PolarHBondContact OE1-NZ 3.49Å |
| 625 | T | 93 | Very high | 93.4 | Very high | 83 Ų | 83 | 97.7 Ų | 97.7 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 174.9 | -59 | 0 | 0 | 0 | 0 | 111.3 | L621 H622 Q623 K628 Q629 | L621-T625 WeakPolarHBondContact O-CB 3.3Å; L621-T625 PolarHBondContact O-N 3.37Å; L621-T625 PolarHBondContact O-OG1 3.44Å; H622-T625 WeakPolarHBondContact O-CB 3.36Å; H622-T625 PolarHBondContact O-N 2.92Å; Q623-T625 PolarHBondContact O-N 3.28Å; T625-K628 PolarHBondContact O-N 2.69Å; T625-Q629 WeakPolarHBondContact O-CB 3.48Å; T625-Q629 PolarHBondContact O-N 3.43Å |
| 626 | L | 94.6 | Very high | 93.4 | Very high | 69 Ų | 69 | 100.3 Ų | 100.3 | 36% | 0.361 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 176.5 | -163.7 | 76.1 | 0 | 0 | 0 | 111.2 | H622 Q623 Q629 Q630 | H622-L626 PolarHBondContact O-N 3.01Å; Q623-L626 WeakPolarHBondContact O-CB 3.41Å; Q623-L626 PolarHBondContact O-N 2.96Å; L626-Q629 WeakPolarHBondContact O-CB 3.48Å; L626-Q629 PolarHBondContact O-N 2.9Å; L626-Q630 WeakPolarHBondContact O-CG 3.47Å; L626-Q630 PolarHBondContact O-N 3.46Å |
| 627 | D | 93.9 | Very high | 93.4 | Very high | 80 Ų | 80 | 100.6 Ų | 100.6 | 43% | 0.428 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64 | -44 | 178.7 | -64.5 | -11.7 | 0 | 0 | 0 | 111 | Q623 E624 Q629 Q630 A631 | Q623-D627 PolarHBondContact NE2-OD1 2.85Å; Q623-D627 VanDerWaalsContact O-CG 3.31Å; Q623-D627 PolarHBondContact O-N 2.87Å; E624-D627 PolarHBondContact O-N 3.42Å; D627-Q629 VanDerWaalsContact C-N 3.31Å; D627-Q629 PolarHBondContact O-N 3.34Å; D627-Q630 PolarHBondContact O-N 3.48Å; D627-A631 PolarHBondContact O-N 3.38Å |
| 628 | K | 93.6 | Very high | 93.2 | Very high | 116 Ų | 116 | 100 Ų | 100 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59 | -42.1 | 172.4 | -76.7 | 172.9 | -175.3 | 166 | 0 | 111.6 | E624 T625 Q630 A631 V632 | E624-K628 HydrophobicContact CG-CD 4.47Å; E624-K628 WeakPolarHBondContact O-CB 3.44Å; E624-K628 VanDerWaalsContact O-CG 3.29Å; E624-K628 WeakPolarHBondContact O-CG 3.39Å; E624-K628 PolarHBondContact O-N 3.19Å; E624-K628 WeakPolarHBondContact OE1-CE 3.47Å; E624-K628 IonicContact OE1-NZ 2.63Å; E624-K628 PolarHBondContact OE1-NZ 3.49Å; T625-K628 PolarHBondContact O-N 2.69Å; K628-Q630 VanDerWaalsContact C-N 3.32Å; K628-Q630 PolarHBondContact O-N 3.41Å; K628-A631 PolarHBondContact O-N 2.81Å; K628-V632 VanDerWaalsContact O-CG2 3.31Å; K628-V632 WeakPolarHBondContact O-CG2 3.43Å; K628-V632 PolarHBondContact O-N 2.94Å |
| 629 | Q | 92.6 | Very high | 93.3 | Very high | 106 Ų | 106 | 105 Ų | 105 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -37.5 | 178.4 | -164.9 | -179.8 | 15.8 | 0 | 0 | 111.8 | T625 L626 D627 K633 | T625-Q629 WeakPolarHBondContact O-CB 3.48Å; T625-Q629 PolarHBondContact O-N 3.43Å; L626-Q629 WeakPolarHBondContact O-CB 3.48Å; L626-Q629 PolarHBondContact O-N 2.9Å; D627-Q629 VanDerWaalsContact C-N 3.31Å; D627-Q629 PolarHBondContact O-N 3.34Å; Q629-K633 WeakPolarHBondContact O-CG 3.46Å; Q629-K633 PolarHBondContact O-N 3.29Å; Q629-K633 VanDerWaalsContact O-N 3.1Å |
| 630 | Q | 93.9 | Very high | 93.2 | Very high | 119 Ų | 119 | 104.6 Ų | 104.6 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 173 | -70.6 | -178 | 3.6 | 0 | 0 | 111.8 | L626 D627 K628 V632 K633 Q634 | L626-Q630 WeakPolarHBondContact O-CG 3.47Å; L626-Q630 PolarHBondContact O-N 3.46Å; D627-Q630 PolarHBondContact O-N 3.48Å; K628-Q630 VanDerWaalsContact C-N 3.32Å; K628-Q630 PolarHBondContact O-N 3.41Å; Q630-V632 VanDerWaalsContact C-N 3.33Å; Q630-V632 PolarHBondContact O-N 3.48Å; Q630-K633 PolarHBondContact O-N 3.45Å; Q630-Q634 PolarHBondContact O-N 2.91Å |
| 631 | A | 92.8 | Very high | 93 | Very high | 47 Ų | 47 | 104 Ų | 104 | 39% | 0.388 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D627 K628 Q634 M635 | D627-A631 PolarHBondContact O-N 3.38Å; K628-A631 PolarHBondContact O-N 2.81Å; A631-Q634 PolarHBondContact O-N 3.18Å; A631-M635 PolarHBondContact O-N 3.27Å |
| 632 | V | 93.4 | Very high | 92.8 | Very high | 71 Ų | 71 | 105.8 Ų | 105.8 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 174.6 | 169.6 | 0 | 0 | 0 | 0 | 111 | K628 Q630 Q634 M635 E636 | K628-V632 VanDerWaalsContact O-CG2 3.31Å; K628-V632 WeakPolarHBondContact O-CG2 3.43Å; K628-V632 PolarHBondContact O-N 2.94Å; Q630-V632 VanDerWaalsContact C-N 3.33Å; Q630-V632 PolarHBondContact O-N 3.48Å; V632-Q634 VanDerWaalsContact C-N 3.26Å; V632-Q634 PolarHBondContact O-N 3.34Å; V632-M635 PolarHBondContact O-N 3.02Å; V632-E636 HydrophobicContact CG1-CG 4.48Å; V632-E636 WeakPolarHBondContact O-CG 3.3Å; V632-E636 PolarHBondContact O-N 2.94Å |
| 633 | K | 93.2 | Very high | 92.7 | Very high | 130 Ų | 130 | 106.4 Ų | 106.4 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58 | -40.1 | 175.8 | -74.4 | 176.6 | 179.7 | 177.8 | 0 | 112 | Q629 Q630 E636 L637 | Q629-K633 WeakPolarHBondContact O-CG 3.46Å; Q629-K633 PolarHBondContact O-N 3.29Å; Q629-K633 VanDerWaalsContact O-N 3.1Å; Q630-K633 PolarHBondContact O-N 3.45Å; K633-E636 PolarHBondContact O-N 3.3Å; K633-L637 PolarHBondContact O-N 2.9Å; K633-L637 VanDerWaalsContact O-N 3.1Å |
| 634 | Q | 92.5 | Very high | 92.5 | Very high | 126 Ų | 126 | 105.8 Ų | 105.8 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.6 | -44.1 | 177.1 | -171.9 | 178.6 | -0.3 | 0 | 0 | 111.9 | Q630 A631 V632 L637 Q638 | Q630-Q634 PolarHBondContact O-N 2.91Å; A631-Q634 PolarHBondContact O-N 3.18Å; V632-Q634 VanDerWaalsContact C-N 3.26Å; V632-Q634 PolarHBondContact O-N 3.34Å; Q634-L637 PolarHBondContact O-N 2.92Å; Q634-Q638 PolarHBondContact O-N 3.18Å |
| 635 | M | 89.1 | Confident | 92.4 | Very high | 119 Ų | 119 | 107.1 Ų | 107.1 | 59% | 0.586 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65 | -36.8 | 176 | -74.2 | -155.3 | -65.6 | 0 | 0 | 112.6 | A631 V632 L637 Q638 R639 | A631-M635 PolarHBondContact O-N 3.27Å; V632-M635 PolarHBondContact O-N 3.02Å; M635-L637 VanDerWaalsContact C-N 3.32Å; M635-L637 PolarHBondContact O-N 2.88Å; M635-Q638 PolarHBondContact O-N 3.29Å; M635-R639 WeakPolarHBondContact O-CB 3.24Å; M635-R639 PolarHBondContact O-N 2.89Å |
| 636 | E | 91.6 | Very high | 92.2 | Very high | 113 Ų | 113 | 107.2 Ų | 107.2 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 173.7 | -75.9 | -179.1 | 164.9 | 0 | 0 | 111.6 | V632 K633 R639 L640 | V632-E636 HydrophobicContact CG1-CG 4.48Å; V632-E636 WeakPolarHBondContact O-CG 3.3Å; V632-E636 PolarHBondContact O-N 2.94Å; K633-E636 PolarHBondContact O-N 3.3Å; E636-R639 PolarHBondContact O-N 3.37Å; E636-L640 WeakPolarHBondContact O-CG 3.39Å; E636-L640 PolarHBondContact O-N 2.96Å |
| 637 | L | 93.6 | Very high | 92 | Very high | 104 Ų | 104 | 106.1 Ų | 106.1 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 176.2 | -165 | 134.9 | 0 | 0 | 0 | 111.6 | K633 Q634 M635 L640 Q641 | K633-L637 PolarHBondContact O-N 2.9Å; K633-L637 VanDerWaalsContact O-N 3.1Å; Q634-L637 PolarHBondContact O-N 2.92Å; M635-L637 VanDerWaalsContact C-N 3.32Å; M635-L637 PolarHBondContact O-N 2.88Å; L637-L640 PolarHBondContact O-N 3.38Å; L637-Q641 WeakPolarHBondContact O-CG 3.38Å; L637-Q641 PolarHBondContact O-N 2.81Å |
| 638 | Q | 91.1 | Very high | 91.8 | Very high | 101 Ų | 101 | 110.1 Ų | 110.1 | 47% | 0.472 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 173.1 | -73.1 | -178.8 | -16.3 | 0 | 0 | 112.1 | Q634 M635 L640 Q641 L642 | Q634-Q638 PolarHBondContact O-N 3.18Å; M635-Q638 PolarHBondContact O-N 3.29Å; Q638-L640 VanDerWaalsContact C-N 3.33Å; Q638-L640 PolarHBondContact O-N 2.85Å; Q638-Q641 WeakPolarHBondContact O-CB 3.38Å; Q638-Q641 PolarHBondContact O-N 2.96Å; Q638-L642 WeakPolarHBondContact O-CG 3.41Å; Q638-L642 PolarHBondContact O-N 3Å |
| 639 | R | 93.8 | Very high | 91.6 | Very high | 194 Ų | 194 | 109.4 Ų | 109.4 | 73% | 0.732 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 176.8 | -179.4 | -177.1 | 167.6 | -176.3 | -2.9 | 111.5 | M635 E636 L642 F643 | M635-R639 WeakPolarHBondContact O-CB 3.24Å; M635-R639 PolarHBondContact O-N 2.89Å; E636-R639 PolarHBondContact O-N 3.37Å; R639-L642 PolarHBondContact O-N 3.42Å; R639-F643 WeakPolarHBondContact O-CB 3.39Å; R639-F643 PolarHBondContact O-N 3.27Å |
| 640 | L | 93.3 | Very high | 91.4 | Very high | 122 Ų | 122 | 110.7 Ų | 110.7 | 64% | 0.639 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.8 | -39.6 | 176.2 | -73.3 | 171 | 0 | 0 | 0 | 112.1 | E636 L637 Q638 F643 N644 | E636-L640 WeakPolarHBondContact O-CG 3.39Å; E636-L640 PolarHBondContact O-N 2.96Å; L637-L640 PolarHBondContact O-N 3.38Å; Q638-L640 VanDerWaalsContact C-N 3.33Å; Q638-L640 PolarHBondContact O-N 2.85Å; L640-F643 PolarHBondContact O-N 3.18Å; L640-N644 PolarHBondContact O-N 3.01Å |
| 641 | Q | 90.1 | Very high | 91.3 | Very high | 110 Ų | 110 | 109.7 Ų | 109.7 | 51% | 0.514 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 174.5 | -71.8 | 176.3 | -16.9 | 0 | 0 | 111.9 | L637 Q638 F643 N644 L645 | L637-Q641 WeakPolarHBondContact O-CG 3.38Å; L637-Q641 PolarHBondContact O-N 2.81Å; Q638-Q641 WeakPolarHBondContact O-CB 3.38Å; Q638-Q641 PolarHBondContact O-N 2.96Å; Q641-F643 VanDerWaalsContact C-N 3.31Å; Q641-F643 PolarHBondContact O-N 2.97Å; Q641-N644 PolarHBondContact O-N 3.29Å; Q641-L645 PolarHBondContact O-N 2.97Å |
| 642 | L | 90.3 | Very high | 91.2 | Very high | 116 Ų | 116 | 112.4 Ų | 112.4 | 61% | 0.607 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.5 | -39.1 | 175.5 | -72.4 | 176.5 | 0 | 0 | 0 | 112 | Q638 R639 N644 L645 N646 | Q638-L642 WeakPolarHBondContact O-CG 3.41Å; Q638-L642 PolarHBondContact O-N 3Å; R639-L642 PolarHBondContact O-N 3.42Å; L642-N644 VanDerWaalsContact C-N 3.34Å; L642-N644 PolarHBondContact O-N 3.44Å; L642-L645 PolarHBondContact O-N 2.92Å; L642-N646 VanDerWaalsContact O-CB 3.31Å; L642-N646 WeakPolarHBondContact O-CB 3.27Å; L642-N646 PolarHBondContact O-N 3.44Å |
| 643 | F | 92.1 | Very high | 91 | Very high | 145 Ų | 145 | 113.6 Ų | 113.6 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62 | -41.2 | 175.5 | -178.6 | -97.8 | 0 | 0 | 0 | 112.2 | R639 L640 Q641 S647 | R639-F643 WeakPolarHBondContact O-CB 3.39Å; R639-F643 PolarHBondContact O-N 3.27Å; L640-F643 PolarHBondContact O-N 3.18Å; Q641-F643 VanDerWaalsContact C-N 3.31Å; Q641-F643 PolarHBondContact O-N 2.97Å; F643-S647 WeakPolarHBondContact O-CB 3.34Å; F643-S647 PolarHBondContact O-N 3.49Å; F643-S647 PolarHBondContact O-OG 3.27Å |
| 644 | N | 90.6 | Very high | 90.8 | Very high | 82 Ų | 82 | 112.3 Ų | 112.3 | 44% | 0.439 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -47 | 175.7 | -164 | -55.5 | 0 | 0 | 0 | 111.4 | L640 Q641 L642 N646 S647 R648 | L640-N644 PolarHBondContact O-N 3.01Å; Q641-N644 PolarHBondContact O-N 3.29Å; L642-N644 VanDerWaalsContact C-N 3.34Å; L642-N644 PolarHBondContact O-N 3.44Å; N644-N646 PolarHBondContact O-N 3.5Å; N644-S647 WeakPolarHBondContact O-CB 3.39Å; N644-S647 PolarHBondContact O-N 2.83Å; N644-R648 WeakPolarHBondContact O-CG 3.49Å; N644-R648 PolarHBondContact O-N 3.27Å; N644-R648 PolarHBondContact OD1-NE 3.18Å |
| 645 | L | 91.8 | Very high | 90.7 | Very high | 97 Ų | 97 | 112.1 Ų | 112.1 | 51% | 0.508 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 177.1 | -75 | 167.3 | 0 | 0 | 0 | 112.3 | Q641 L642 S647 R648 L649 | Q641-L645 PolarHBondContact O-N 2.97Å; L642-L645 PolarHBondContact O-N 2.92Å; L645-S647 VanDerWaalsContact C-N 3.31Å; L645-S647 PolarHBondContact O-N 3.1Å; L645-R648 WeakPolarHBondContact O-CB 3.45Å; L645-R648 PolarHBondContact O-N 3.46Å; L645-L649 PolarHBondContact O-N 3.36Å |
| 646 | N | 89.4 | Confident | 90.7 | Very high | 85 Ų | 85 | 111.1 Ų | 111.1 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 176.6 | -167.9 | -30.5 | 0 | 0 | 0 | 111.3 | L642 N644 R648 L649 K650 | L642-N646 VanDerWaalsContact O-CB 3.31Å; L642-N646 WeakPolarHBondContact O-CB 3.27Å; L642-N646 PolarHBondContact O-N 3.44Å; N644-N646 PolarHBondContact O-N 3.5Å; N646-R648 VanDerWaalsContact C-N 3.34Å; N646-R648 PolarHBondContact O-N 3.3Å; N646-L649 PolarHBondContact O-N 2.89Å; N646-K650 WeakPolarHBondContact O-CG 3.44Å; N646-K650 PolarHBondContact O-N 3.44Å; N646-K650 WeakPolarHBondContact OD1-CE 3.39Å |
| 647 | S | 88.7 | Confident | 90.6 | Very high | 45 Ų | 45 | 111.5 Ų | 111.5 | 32% | 0.315 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 174.4 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | F643 N644 L645 K650 I651 | F643-S647 WeakPolarHBondContact O-CB 3.34Å; F643-S647 PolarHBondContact O-N 3.49Å; F643-S647 PolarHBondContact O-OG 3.27Å; N644-S647 WeakPolarHBondContact O-CB 3.39Å; N644-S647 PolarHBondContact O-N 2.83Å; L645-S647 VanDerWaalsContact C-N 3.31Å; L645-S647 PolarHBondContact O-N 3.1Å; S647-K650 PolarHBondContact O-N 3.05Å; S647-I651 WeakPolarHBondContact O-CG1 3.48Å; S647-I651 PolarHBondContact O-N 3.49Å |
| 648 | R | 90.9 | Very high | 90.4 | Very high | 165 Ų | 165 | 113 Ų | 113 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.1 | -43.4 | 173.7 | -68.3 | 178 | -178.3 | -157 | -5.6 | 112.2 | N644 L645 N646 K650 I651 L652 | N644-R648 WeakPolarHBondContact O-CG 3.49Å; N644-R648 PolarHBondContact O-N 3.27Å; N644-R648 PolarHBondContact OD1-NE 3.18Å; L645-R648 WeakPolarHBondContact O-CB 3.45Å; L645-R648 PolarHBondContact O-N 3.46Å; N646-R648 VanDerWaalsContact C-N 3.34Å; N646-R648 PolarHBondContact O-N 3.3Å; R648-K650 PolarHBondContact O-N 2.9Å; R648-I651 PolarHBondContact O-N 3.39Å; R648-L652 PolarHBondContact O-N 3.32Å |
| 649 | L | 89.3 | Confident | 90.3 | Very high | 101 Ų | 101 | 113.6 Ų | 113.6 | 53% | 0.529 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 176 | -83.6 | 167.2 | 0 | 0 | 0 | 112.1 | L645 N646 I651 L652 N653 | L645-L649 PolarHBondContact O-N 3.36Å; N646-L649 PolarHBondContact O-N 2.89Å; L649-I651 VanDerWaalsContact C-N 3.33Å; L649-I651 PolarHBondContact O-N 3.13Å; L649-L652 PolarHBondContact O-N 3.39Å; L649-N653 WeakPolarHBondContact O-CB 3.42Å; L649-N653 PolarHBondContact O-N 2.92Å |
| 650 | K | 87.7 | Confident | 90.1 | Very high | 132 Ų | 132 | 111.7 Ų | 111.7 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.3 | -42.4 | 175.4 | -76.7 | -179.8 | -178.8 | 179.7 | 0 | 112.3 | N646 S647 R648 N654 | N646-K650 WeakPolarHBondContact O-CG 3.44Å; N646-K650 PolarHBondContact O-N 3.44Å; N646-K650 WeakPolarHBondContact OD1-CE 3.39Å; S647-K650 PolarHBondContact O-N 3.05Å; R648-K650 PolarHBondContact O-N 2.9Å; K650-N654 PolarHBondContact O-N 2.8Å |
| 651 | I | 91.3 | Very high | 89.7 | Confident | 99 Ų | 99 | 111.2 Ų | 111.2 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 175.9 | -67.7 | 167.1 | 0 | 0 | 0 | 109.7 | S647 R648 L649 N653 N654 F655 | S647-I651 WeakPolarHBondContact O-CG1 3.48Å; S647-I651 PolarHBondContact O-N 3.49Å; R648-I651 PolarHBondContact O-N 3.39Å; L649-I651 VanDerWaalsContact C-N 3.33Å; L649-I651 PolarHBondContact O-N 3.13Å; I651-N653 PolarHBondContact O-N 3.35Å; I651-N654 WeakPolarHBondContact O-CB 3.34Å; I651-N654 PolarHBondContact O-N 3.05Å; I651-F655 HydrophobicContact CG2-CD2 3.75Å; I651-F655 HydrophobicContact CG2-CE2 3.43Å; I651-F655 VanDerWaalsContact CG2-CE2 3.43Å; I651-F655 WeakPolarHBondContact O-CD2 3.38Å; I651-F655 PolarHBondContact O-N 2.91Å; I651-F655 VanDerWaalsContact O-N 3.07Å |
| 652 | L | 90.7 | Very high | 89.7 | Confident | 104 Ų | 104 | 111.2 Ų | 111.2 | 55% | 0.545 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | -179.8 | -145.8 | 109.7 | 0 | 0 | 0 | 112.2 | R648 L649 N654 F655 L656 | R648-L652 PolarHBondContact O-N 3.32Å; L649-L652 PolarHBondContact O-N 3.39Å; L652-N654 VanDerWaalsContact C-N 3.33Å; L652-N654 PolarHBondContact O-N 2.78Å; L652-F655 WeakPolarHBondContact O-CB 3.43Å; L652-F655 PolarHBondContact O-N 3.38Å; L652-F655 VanDerWaalsContact O-N 3.13Å; L652-L656 HydrophobicContact CD2-CD1 4.11Å; L652-L656 PolarHBondContact O-N 3.25Å |
| 653 | N | 89.5 | Confident | 89.7 | Confident | 96 Ų | 96 | 112.4 Ų | 112.4 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.2 | -77.6 | -13 | 0 | 0 | 0 | 111.9 | L649 I651 F655 L656 L657 | L649-N653 WeakPolarHBondContact O-CB 3.42Å; L649-N653 PolarHBondContact O-N 2.92Å; I651-N653 PolarHBondContact O-N 3.35Å; N653-F655 VanDerWaalsContact C-N 3.32Å; N653-F655 PolarHBondContact O-N 3.47Å; N653-L656 PolarHBondContact O-N 2.86Å; N653-L657 WeakPolarHBondContact O-CB 3.36Å; N653-L657 PolarHBondContact O-N 3.33Å |
| 654 | N | 90.3 | Very high | 89.5 | Confident | 102 Ų | 102 | 110.8 Ų | 110.8 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -36.4 | 174.2 | -84.8 | -24.4 | 0 | 0 | 0 | 112.5 | K650 I651 L652 K658 | K650-N654 PolarHBondContact O-N 2.8Å; I651-N654 WeakPolarHBondContact O-CB 3.34Å; I651-N654 PolarHBondContact O-N 3.05Å; L652-N654 VanDerWaalsContact C-N 3.33Å; L652-N654 PolarHBondContact O-N 2.78Å; N654-K658 WeakPolarHBondContact O-CG 3.36Å; N654-K658 PolarHBondContact O-N 3.17Å |
| 655 | F | 90.1 | Very high | 89.3 | Confident | 122 Ų | 122 | 112.4 Ų | 112.4 | 54% | 0.535 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 173.1 | -78.4 | -68.1 | 0 | 0 | 0 | 112.1 | I651 L652 N653 L657 K658 L659 | I651-F655 HydrophobicContact CG2-CD2 3.75Å; I651-F655 HydrophobicContact CG2-CE2 3.43Å; I651-F655 VanDerWaalsContact CG2-CE2 3.43Å; I651-F655 WeakPolarHBondContact O-CD2 3.38Å; I651-F655 PolarHBondContact O-N 2.91Å; I651-F655 VanDerWaalsContact O-N 3.07Å; L652-F655 WeakPolarHBondContact O-CB 3.43Å; L652-F655 PolarHBondContact O-N 3.38Å; L652-F655 VanDerWaalsContact O-N 3.13Å; N653-F655 VanDerWaalsContact C-N 3.32Å; N653-F655 PolarHBondContact O-N 3.47Å; F655-L657 VanDerWaalsContact C-N 3.34Å; F655-L657 PolarHBondContact O-N 2.92Å; F655-K658 WeakPolarHBondContact O-CB 3.35Å; F655-K658 PolarHBondContact O-N 2.92Å; F655-L659 PolarHBondContact O-N 2.68Å |
| 656 | L | 88.1 | Confident | 89 | Confident | 99 Ų | 99 | 113.3 Ų | 113.3 | 52% | 0.518 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 175.7 | -104.2 | 142.5 | 0 | 0 | 0 | 112.1 | L652 N653 K658 L659 Y660 | L652-L656 HydrophobicContact CD2-CD1 4.11Å; L652-L656 PolarHBondContact O-N 3.25Å; N653-L656 PolarHBondContact O-N 2.86Å; L656-K658 VanDerWaalsContact C-N 3.33Å; L656-K658 PolarHBondContact O-N 3.24Å; L656-L659 PolarHBondContact O-N 3.48Å; L656-Y660 PolarHBondContact O-N 2.95Å |
| 657 | L | 89.9 | Confident | 88.8 | Confident | 120 Ų | 120 | 113.8 Ų | 113.8 | 63% | 0.628 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.7 | -39.9 | 177.6 | -169.3 | 67.3 | 0 | 0 | 0 | 111.9 | N653 F655 Y660 H661 | N653-L657 WeakPolarHBondContact O-CB 3.36Å; N653-L657 PolarHBondContact O-N 3.33Å; F655-L657 VanDerWaalsContact C-N 3.34Å; F655-L657 PolarHBondContact O-N 2.92Å; L657-Y660 PolarHBondContact O-N 3.4Å; L657-H661 PolarHBondContact O-N 2.88Å |
| 658 | K | 89.1 | Confident | 88.7 | Confident | 136 Ų | 136 | 115.3 Ų | 115.3 | 59% | 0.591 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 174.5 | -73.3 | 174.5 | -178.3 | -179.9 | 0 | 112 | N654 F655 L656 H661 L662 | N654-K658 WeakPolarHBondContact O-CG 3.36Å; N654-K658 PolarHBondContact O-N 3.17Å; F655-K658 WeakPolarHBondContact O-CB 3.35Å; F655-K658 PolarHBondContact O-N 2.92Å; L656-K658 VanDerWaalsContact C-N 3.33Å; L656-K658 PolarHBondContact O-N 3.24Å; K658-H661 PolarHBondContact O-N 3.44Å; K658-L662 PolarHBondContact O-N 2.99Å |
| 659 | L | 89.4 | Confident | 88.3 | Confident | 113 Ų | 113 | 116.1 Ų | 116.1 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 175.7 | -71.7 | 172.1 | 0 | 0 | 0 | 111.6 | F655 L656 H661 L662 W663 | F655-L659 PolarHBondContact O-N 2.68Å; L656-L659 PolarHBondContact O-N 3.48Å; L659-H661 VanDerWaalsContact C-N 3.31Å; L659-H661 PolarHBondContact O-N 2.9Å; L659-L662 WeakPolarHBondContact O-CB 3.29Å; L659-L662 PolarHBondContact O-N 3Å; L659-W663 WeakPolarHBondContact O-CB 3.46Å; L659-W663 PolarHBondContact O-N 3.38Å |
| 660 | Y | 88.6 | Confident | 88.1 | Confident | 155 Ų | 155 | 116.2 Ų | 116.2 | 61% | 0.608 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.7 | -42 | 177.5 | -154.6 | -90.3 | 0 | 0 | 0 | 111.6 | L656 L657 W663 F664 | L656-Y660 PolarHBondContact O-N 2.95Å; L657-Y660 PolarHBondContact O-N 3.4Å; Y660-W663 PolarHBondContact O-N 2.99Å; Y660-F664 WeakPolarHBondContact O-CB 3.36Å; Y660-F664 PolarHBondContact O-N 3.48Å |
| 661 | H | 85.9 | Confident | 87.9 | Confident | 111 Ų | 111 | 114.2 Ų | 114.2 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.7 | -37.2 | 176.8 | -170.4 | -93.9 | 0 | 0 | 0 | 112.9 | L657 K658 L659 K665 | L657-H661 PolarHBondContact O-N 2.88Å; K658-H661 PolarHBondContact O-N 3.44Å; L659-H661 VanDerWaalsContact C-N 3.31Å; L659-H661 PolarHBondContact O-N 2.9Å; H661-K665 PolarHBondContact O-N 2.89Å; H661-K665 VanDerWaalsContact O-N 3.14Å |
| 662 | L | 90.5 | Very high | 87.5 | Confident | 110 Ų | 110 | 113.7 Ų | 113.7 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65 | -45.3 | 173.2 | -80.2 | 160.5 | 0 | 0 | 0 | 111.7 | K658 L659 K665 L666 | K658-L662 PolarHBondContact O-N 2.99Å; L659-L662 WeakPolarHBondContact O-CB 3.29Å; L659-L662 PolarHBondContact O-N 3Å; L662-K665 PolarHBondContact O-N 3.34Å; L662-L666 PolarHBondContact O-N 3.3Å; L662-L666 VanDerWaalsContact O-N 3.09Å |
| 663 | W | 89.7 | Confident | 86.9 | Confident | 141 Ų | 141 | 114.8 Ų | 114.8 | 53% | 0.534 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 176.6 | 179.6 | 85.2 | 0 | 0 | 0 | 111.8 | L659 Y660 K665 L666 H667 | L659-W663 WeakPolarHBondContact O-CB 3.46Å; L659-W663 PolarHBondContact O-N 3.38Å; Y660-W663 PolarHBondContact O-N 2.99Å; W663-K665 VanDerWaalsContact C-N 3.34Å; W663-K665 PolarHBondContact O-N 3.02Å; W663-L666 WeakPolarHBondContact O-CB 3.24Å; W663-L666 PolarHBondContact O-N 3.3Å; W663-L666 VanDerWaalsContact O-N 3.13Å; W663-H667 PolarHBondContact O-N 3.36Å |
| 664 | F | 88.4 | Confident | 86.4 | Confident | 112 Ų | 112 | 114.1 Ų | 114.1 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 177.5 | -174.9 | -103.5 | 0 | 0 | 0 | 112.4 | Y660 L666 H667 L668 | Y660-F664 WeakPolarHBondContact O-CB 3.36Å; Y660-F664 PolarHBondContact O-N 3.48Å; F664-L666 PolarHBondContact O-N 2.89Å; F664-H667 PolarHBondContact O-N 3.09Å; F664-L668 HydrophobicContact CD1-CD1 3.65Å; F664-L668 HydrophobicContact CE1-CD1 3.23Å; F664-L668 HydrophobicContact CE2-CD1 4.41Å; F664-L668 HydrophobicContact CG-CD1 4.41Å; F664-L668 HydrophobicContact CZ-CD1 3.67Å; F664-L668 PolarHBondContact O-N 3.37Å; F664-L668 VanDerWaalsContact O-N 3.09Å |
| 665 | K | 86.2 | Confident | 85.7 | Confident | 116 Ų | 116 | 113.3 Ų | 113.3 | 50% | 0.504 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 173.7 | -83.3 | -176.1 | 172.9 | -179 | 0 | 112.3 | H661 L662 W663 H667 L668 Y669 | H661-K665 PolarHBondContact O-N 2.89Å; H661-K665 VanDerWaalsContact O-N 3.14Å; L662-K665 PolarHBondContact O-N 3.34Å; W663-K665 VanDerWaalsContact C-N 3.34Å; W663-K665 PolarHBondContact O-N 3.02Å; K665-H667 VanDerWaalsContact C-N 3.34Å; K665-H667 PolarHBondContact O-N 2.85Å; K665-L668 PolarHBondContact O-N 2.98Å; K665-Y669 WeakPolarHBondContact O-CD2 3.4Å; K665-Y669 PolarHBondContact O-N 2.9Å |
| 666 | L | 85.8 | Confident | 85 | Confident | 116 Ų | 116 | 115.4 Ų | 115.4 | 61% | 0.607 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 179.5 | -151.9 | 89.9 | 0 | 0 | 0 | 111.5 | L662 W663 F664 L668 Y669 L670 | L662-L666 PolarHBondContact O-N 3.3Å; L662-L666 VanDerWaalsContact O-N 3.09Å; W663-L666 WeakPolarHBondContact O-CB 3.24Å; W663-L666 PolarHBondContact O-N 3.3Å; W663-L666 VanDerWaalsContact O-N 3.13Å; F664-L666 PolarHBondContact O-N 2.89Å; L666-L668 PolarHBondContact O-N 3.07Å; L666-Y669 PolarHBondContact O-N 3.25Å; L666-L670 PolarHBondContact O-N 2.71Å; L666-L670 VanDerWaalsContact O-N 3.1Å |
| 667 | H | 84.3 | Confident | 84.3 | Confident | 94 Ų | 94 | 114.6 Ų | 114.6 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 178 | -171.2 | -74 | 0 | 0 | 0 | 112.2 | W663 F664 K665 L670 L671 | W663-H667 PolarHBondContact O-N 3.36Å; F664-H667 PolarHBondContact O-N 3.09Å; K665-H667 VanDerWaalsContact C-N 3.34Å; K665-H667 PolarHBondContact O-N 2.85Å; H667-L670 PolarHBondContact O-N 3.41Å; H667-L671 PolarHBondContact O-N 3.16Å |
| 668 | L | 86.1 | Confident | 83.5 | Confident | 77 Ų | 77 | 115.5 Ų | 115.5 | 40% | 0.403 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 174.4 | -96.8 | 145.7 | 0 | 0 | 0 | 112.5 | F664 K665 L666 L670 L671 I672 | F664-L668 HydrophobicContact CD1-CD1 3.65Å; F664-L668 HydrophobicContact CE1-CD1 3.23Å; F664-L668 HydrophobicContact CE2-CD1 4.41Å; F664-L668 HydrophobicContact CG-CD1 4.41Å; F664-L668 HydrophobicContact CZ-CD1 3.67Å; F664-L668 PolarHBondContact O-N 3.37Å; F664-L668 VanDerWaalsContact O-N 3.09Å; K665-L668 PolarHBondContact O-N 2.98Å; L666-L668 PolarHBondContact O-N 3.07Å; L668-L670 VanDerWaalsContact C-N 3.35Å; L668-L670 PolarHBondContact O-N 3.39Å; L668-L671 PolarHBondContact O-N 3.28Å; L668-I672 WeakPolarHBondContact O-CG1 3.46Å; L668-I672 PolarHBondContact O-N 2.99Å; L668-I672 VanDerWaalsContact O-N 3.16Å |
| 669 | Y | 84.1 | Confident | 82.4 | Confident | 183 Ų | 183 | 115.6 Ų | 115.6 | 72% | 0.718 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 176.1 | -93.4 | -76 | 0 | 0 | 0 | 112.3 | K665 L666 F673 | K665-Y669 WeakPolarHBondContact O-CD2 3.4Å; K665-Y669 PolarHBondContact O-N 2.9Å; L666-Y669 PolarHBondContact O-N 3.25Å; Y669-F673 PolarHBondContact O-N 3.47Å |
| 670 | L | 83.3 | Confident | 81.3 | Confident | 103 Ų | 103 | 119.4 Ų | 119.4 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 177.2 | -85.2 | 157 | 0 | 0 | 0 | 112.6 | L666 H667 L668 I672 F673 V674 | L666-L670 PolarHBondContact O-N 2.71Å; L666-L670 VanDerWaalsContact O-N 3.1Å; H667-L670 PolarHBondContact O-N 3.41Å; L668-L670 VanDerWaalsContact C-N 3.35Å; L668-L670 PolarHBondContact O-N 3.39Å; L670-I672 PolarHBondContact O-N 3.48Å; L670-F673 WeakPolarHBondContact O-CB 3.37Å; L670-F673 PolarHBondContact O-N 3.04Å; L670-V674 WeakPolarHBondContact O-CG2 3.28Å; L670-V674 PolarHBondContact O-N 3.23Å |
| 671 | L | 83.9 | Confident | 80.2 | Confident | 89 Ų | 89 | 116.6 Ų | 116.6 | 47% | 0.466 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | -179.4 | -172.8 | 67.4 | 0 | 0 | 0 | 112.1 | H667 L668 F673 V674 N675 | H667-L671 PolarHBondContact O-N 3.16Å; L668-L671 PolarHBondContact O-N 3.28Å; L671-F673 VanDerWaalsContact C-N 3.29Å; L671-F673 PolarHBondContact O-N 3.5Å; L671-V674 PolarHBondContact O-N 3.3Å; L671-N675 PolarHBondContact O-N 2.9Å; L671-N675 VanDerWaalsContact O-N 3.14Å |
| 672 | I | 82.6 | Confident | 78.9 | Confident | 89 Ų | 89 | 116.3 Ų | 116.3 | 46% | 0.456 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 175.8 | -66.6 | 166.2 | 0 | 0 | 0 | 110.6 | L668 L670 R676 | L668-I672 WeakPolarHBondContact O-CG1 3.46Å; L668-I672 PolarHBondContact O-N 2.99Å; L668-I672 VanDerWaalsContact O-N 3.16Å; L670-I672 PolarHBondContact O-N 3.48Å; I672-R676 PolarHBondContact O-N 3.48Å |
| 673 | F | 78.8 | Confident | 77.2 | Confident | 126 Ų | 126 | 118.4 Ų | 118.4 | 55% | 0.553 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.7 | -45.5 | 178.3 | -179.3 | -101 | 0 | 0 | 0 | 112.5 | Y669 L670 L671 N675 R676 I677 | Y669-F673 PolarHBondContact O-N 3.47Å; L670-F673 WeakPolarHBondContact O-CB 3.37Å; L670-F673 PolarHBondContact O-N 3.04Å; L671-F673 VanDerWaalsContact C-N 3.29Å; L671-F673 PolarHBondContact O-N 3.5Å; F673-N675 PolarHBondContact O-N 3.05Å; F673-R676 PolarHBondContact O-N 3.02Å; F673-I677 HydrophobicContact CD1-CD1 4.16Å; F673-I677 HydrophobicContact CE1-CD1 3.55Å; F673-I677 HydrophobicContact CZ-CD1 3.88Å; F673-I677 PolarHBondContact O-N 3.34Å |
| 674 | V | 79.6 | Confident | 75.7 | Confident | 83 Ų | 83 | 119.6 Ų | 119.6 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.1 | -41.9 | 179 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | L670 L671 R676 I677 K678 | L670-V674 WeakPolarHBondContact O-CG2 3.28Å; L670-V674 PolarHBondContact O-N 3.23Å; L671-V674 PolarHBondContact O-N 3.3Å; V674-R676 VanDerWaalsContact C-N 3.31Å; V674-R676 PolarHBondContact O-N 3.08Å; V674-I677 PolarHBondContact O-N 2.93Å; V674-I677 VanDerWaalsContact O-N 3.12Å; V674-K678 PolarHBondContact O-N 3.39Å; V674-K678 VanDerWaalsContact O-N 3.11Å |
| 675 | N | 75.8 | Confident | 73.6 | Confident | 84 Ų | 84 | 123.3 Ų | 123.3 | 45% | 0.449 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62 | -36.7 | 178.1 | -79.6 | -23.5 | 0 | 0 | 0 | 112.8 | L671 F673 I677 K678 E679 | L671-N675 PolarHBondContact O-N 2.9Å; L671-N675 VanDerWaalsContact O-N 3.14Å; F673-N675 PolarHBondContact O-N 3.05Å; N675-I677 VanDerWaalsContact C-N 3.32Å; N675-I677 PolarHBondContact O-N 3.04Å; N675-K678 PolarHBondContact O-N 2.9Å; N675-E679 PolarHBondContact O-N 3.49Å; N675-E679 VanDerWaalsContact O-N 3.15Å |
| 676 | R | 75.5 | Confident | 71.8 | Confident | 167 Ų | 167 | 127.7 Ų | 127.7 | 63% | 0.63 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.5 | -29.6 | 174.7 | -77.1 | -177 | 178 | 167.5 | 0.2 | 113.8 | I672 F673 V674 | I672-R676 PolarHBondContact O-N 3.48Å; F673-R676 PolarHBondContact O-N 3.02Å; V674-R676 VanDerWaalsContact C-N 3.31Å; V674-R676 PolarHBondContact O-N 3.08Å |
| 677 | I | 73.9 | Confident | 70 | Confident | 81 Ų | 81 | 125.4 Ų | 125.4 | 42% | 0.415 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.2 | -42.8 | 174.2 | -66.7 | 179.7 | 0 | 0 | 0 | 109.8 | F673 V674 N675 E679 R680 V681 | F673-I677 HydrophobicContact CD1-CD1 4.16Å; F673-I677 HydrophobicContact CE1-CD1 3.55Å; F673-I677 HydrophobicContact CZ-CD1 3.88Å; F673-I677 PolarHBondContact O-N 3.34Å; V674-I677 PolarHBondContact O-N 2.93Å; V674-I677 VanDerWaalsContact O-N 3.12Å; N675-I677 VanDerWaalsContact C-N 3.32Å; N675-I677 PolarHBondContact O-N 3.04Å; I677-E679 PolarHBondContact O-N 3.1Å; I677-R680 PolarHBondContact O-N 3.44Å; I677-V681 PolarHBondContact O-N 3.18Å |
| 678 | K | 72.5 | Confident | 68.3 | Low | 139 Ų | 139 | 127.2 Ų | 127.2 | 60% | 0.604 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.9 | -42.4 | 180 | -172.6 | 176.2 | 179.1 | 179.3 | 0 | 112.9 | V674 N675 R680 V681 N682 | V674-K678 PolarHBondContact O-N 3.39Å; V674-K678 VanDerWaalsContact O-N 3.11Å; N675-K678 PolarHBondContact O-N 2.9Å; K678-R680 VanDerWaalsContact C-N 3.3Å; K678-R680 PolarHBondContact O-N 3.4Å; K678-V681 PolarHBondContact O-N 3.42Å; K678-N682 PolarHBondContact O-N 2.67Å |
| 679 | E | 66.2 | Low | 66.1 | Low | 138 Ų | 138 | 131.2 Ų | 131.2 | 65% | 0.645 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.6 | -35.4 | 176.9 | -78.7 | 178.9 | 163.8 | 0 | 0 | 113 | N675 I677 | N675-E679 PolarHBondContact O-N 3.49Å; N675-E679 VanDerWaalsContact O-N 3.15Å; I677-E679 PolarHBondContact O-N 3.1Å |
| 680 | R | 65.5 | Low | 63.8 | Low | 193 Ų | 193 | 130 Ų | 130 | 73% | 0.728 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.3 | -31.8 | 178.4 | -74.6 | -159.6 | -102.8 | -165.1 | -3 | 113.6 | I677 K678 | I677-R680 PolarHBondContact O-N 3.44Å; K678-R680 VanDerWaalsContact C-N 3.3Å; K678-R680 PolarHBondContact O-N 3.4Å |
| 681 | V | 65.6 | Low | 61.8 | Low | 97 Ų | 97 | 133.2 Ų | 133.2 | 59% | 0.588 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.2 | -38.7 | 177.9 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | I677 K678 L683 H684 | I677-V681 PolarHBondContact O-N 3.18Å; K678-V681 PolarHBondContact O-N 3.42Å; V681-L683 VanDerWaalsContact C-N 3.28Å; V681-L683 PolarHBondContact O-N 3.38Å; V681-H684 PolarHBondContact O-N 2.96Å; V681-H684 VanDerWaalsContact O-N 3.16Å |
| 682 | N | 57.9 | Low | 59.9 | Low | 104 Ų | 104 | 136.1 Ų | 136.1 | 56% | 0.556 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -63.9 | -30.4 | 178.8 | -97.2 | -6.5 | 0 | 0 | 0 | 113.4 | K678 H684 Y685 | K678-N682 PolarHBondContact O-N 2.67Å; N682-H684 VanDerWaalsContact C-N 3.27Å; N682-H684 PolarHBondContact O-N 3.36Å; N682-Y685 PolarHBondContact O-N 3.33Å |
| 683 | L | 56.5 | Low | 58.3 | Low | 155 Ų | 155 | 137.9 Ų | 137.9 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -23.1 | 176.4 | -106.8 | 109.2 | 0 | 0 | 0 | 113.7 | V681 | V681-L683 VanDerWaalsContact C-N 3.28Å; V681-L683 PolarHBondContact O-N 3.38Å |
| 684 | H | 56.7 | Low | 56.4 | Low | 166 Ų | 166 | 138.1 Ų | 138.1 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -14.2 | -177.8 | -159.1 | -50.6 | 0 | 0 | 0 | 112.7 | V681 N682 | V681-H684 PolarHBondContact O-N 2.96Å; V681-H684 VanDerWaalsContact O-N 3.16Å; N682-H684 VanDerWaalsContact C-N 3.27Å; N682-H684 PolarHBondContact O-N 3.36Å |
| 685 | Y | 45.9 | Very low | 54.7 | Low | 189 Ų | 189 | 142 Ų | 142 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -11 | -165.8 | -165.5 | -104.1 | 0 | 0 | 0 | 115.7 | N682 | N682-Y685 PolarHBondContact O-N 3.33Š|
| 686 | Y | 47.3 | Very low | 53.6 | Low | 208 Ų | 208 | 144.5 Ų | 144.5 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 9.7 | -174.3 | -81 | -80.5 | 0 | 0 | 0 | 116.1 | ||
| 687 | G | 48.5 | Very low | 52.5 | Low | 68 Ų | 68 | 140.8 Ų | 140.8 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -89.4 | -16.4 | -167 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 688 | T | 48 | Very low | 51.6 | Low | 132 Ų | 132 | 145.7 Ų | 145.7 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | trans | -149 | 56.9 | -156 | -26.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 689 | I | 41 | Very low | 50.9 | Low | 162 Ų | 162 | 143.1 Ų | 143.1 | 83% | 0.831 | 73% | 0.733 | S | S | * | * | trans | -147.4 | 108.4 | 158.1 | -56.1 | -178.2 | 0 | 0 | 0 | 111 | ||||
| 690 | N | 35.9 | Very low | 50.8 | Low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 73% | 0.731 | S | S | * | * | trans | -169.2 | 118 | 145.6 | -98.3 | -18.8 | 0 | 0 | 0 | 109.7 | ||||
| 691 | I | 40.2 | Very low | 50.9 | Low | 172 Ų | 172 | 138.2 Ų | 138.2 | 88% | 0.882 | 72% | 0.718 | S | S | * | * | trans | 172.7 | 117.3 | 136.5 | -80.7 | 150.2 | 0 | 0 | 0 | 107.9 | ||||
| 692 | L | 44 | Very low | 50.9 | Low | 149 Ų | 149 | 139.3 Ų | 139.3 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | trans | -97.2 | 161 | 167.9 | -104.9 | 126 | 0 | 0 | 0 | 108.8 | ||||
| 693 | P | 48.7 | Very low | 51.6 | Low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | -149.3 | 166.2 | 100.1 | 32.2 | -10.8 | 0 | 0 | 0 | 117.4 | |||||
| 694 | E | 39.3 | Very low | 52.5 | Low | 131 Ų | 131 | 137.5 Ų | 137.5 | 61% | 0.612 | 71% | 0.707 | S | S | * | * | trans | -79.1 | 146 | -163.1 | -62.2 | 163.1 | 130.7 | 0 | 0 | 115.7 | L697 | E694-L697 HydrophobicContact CB-CD1 4.45Å; E694-L697 HydrophobicContact CG-CD1 4.16Å | ||
| 695 | N | 44.1 | Very low | 53.5 | Low | 165 Ų | 165 | 133.4 Ų | 133.4 | 88% | 0.882 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -162.7 | 15.9 | 146 | -89.5 | -24.6 | 0 | 0 | 0 | 115.1 | ||
| 696 | N | 51.8 | Low | 55 | Low | 137 Ų | 137 | 130 Ų | 130 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | trans | -112.1 | 25.2 | 180 | -74.1 | -19.8 | 0 | 0 | 0 | 114.1 | K698 S699 F700 | N696-K698 PolarHBondContact O-N 3.02Å; N696-S699 PolarHBondContact O-N 3.15Å; N696-F700 PolarHBondContact O-N 3.32Å | ||
| 697 | L | 52.6 | Low | 56.5 | Low | 88 Ų | 88 | 127.1 Ų | 127.1 | 46% | 0.461 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -62.7 | -33.6 | -162 | -138.9 | 79.7 | 0 | 0 | 0 | 114.9 | E694 F700 I701 | E694-L697 HydrophobicContact CB-CD1 4.45Å; E694-L697 HydrophobicContact CG-CD1 4.16Å; L697-F700 PolarHBondContact O-N 2.95Å; L697-I701 HydrophobicContact CB-CD1 4.49Å; L697-I701 HydrophobicContact CD2-CD1 3.96Å; L697-I701 HydrophobicContact CG-CD1 3.92Å; L697-I701 HydrophobicContact CG-CG1 4.48Å; L697-I701 WeakPolarHBondContact O-CB 3.4Å; L697-I701 WeakPolarHBondContact O-CD1 3.3Å; L697-I701 WeakPolarHBondContact O-CG1 3.5Å; L697-I701 PolarHBondContact O-N 3.36Å |
| 698 | K | 56.2 | Low | 58 | Low | 185 Ų | 185 | 128 Ų | 128 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.9 | -36.5 | -176.3 | -77.8 | -178.4 | 177.9 | 177.4 | 0 | 114.1 | N696 L702 | N696-K698 PolarHBondContact O-N 3.02Å; K698-L702 PolarHBondContact O-N 2.88Å |
| 699 | S | 57.7 | Low | 59.5 | Low | 84 Ų | 84 | 125.6 Ų | 125.6 | 59% | 0.587 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.4 | -37.2 | 172.8 | -171.4 | 0 | 0 | 0 | 0 | 110.9 | N696 Q703 | N696-S699 PolarHBondContact O-N 3.15Å; S699-Q703 WeakPolarHBondContact O-CB 3.47Å; S699-Q703 PolarHBondContact O-N 3.48Å; S699-Q703 VanDerWaalsContact O-N 3.08Å |
| 700 | F | 63.2 | Low | 61.4 | Low | 140 Ų | 140 | 122.8 Ų | 122.8 | 61% | 0.614 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.1 | -40.5 | 179.3 | -149.4 | -94.4 | 0 | 0 | 0 | 111.7 | N696 L697 Q703 L704 | N696-F700 PolarHBondContact O-N 3.32Å; L697-F700 PolarHBondContact O-N 2.95Å; F700-Q703 PolarHBondContact O-N 2.99Å; F700-L704 HydrophobicContact CE1-CD1 4.48Å; F700-L704 VanDerWaalsContact O-CB 3.27Å; F700-L704 WeakPolarHBondContact O-CB 3.13Å; F700-L704 PolarHBondContact O-N 3.26Å |
| 701 | I | 67.3 | Low | 63.5 | Low | 88 Ų | 88 | 118.4 Ų | 118.4 | 45% | 0.451 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67 | -40.9 | 177.8 | -69.5 | 164.9 | 0 | 0 | 0 | 111.5 | L697 L704 V705 | L697-I701 HydrophobicContact CB-CD1 4.49Å; L697-I701 HydrophobicContact CD2-CD1 3.96Å; L697-I701 HydrophobicContact CG-CD1 3.92Å; L697-I701 HydrophobicContact CG-CG1 4.48Å; L697-I701 WeakPolarHBondContact O-CB 3.4Å; L697-I701 WeakPolarHBondContact O-CD1 3.3Å; L697-I701 WeakPolarHBondContact O-CG1 3.5Å; L697-I701 PolarHBondContact O-N 3.36Å; I701-L704 PolarHBondContact O-N 2.96Å; I701-V705 HydrophobicContact CG2-CG2 4.37Å; I701-V705 WeakPolarHBondContact O-CB 3.36Å; I701-V705 VanDerWaalsContact O-CG2 3.26Å; I701-V705 WeakPolarHBondContact O-CG2 3.36Å; I701-V705 PolarHBondContact O-N 3.4Å |
| 702 | L | 66.6 | Low | 65.6 | Low | 121 Ų | 121 | 115.4 Ų | 115.4 | 63% | 0.634 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.9 | -38.4 | 176.3 | -111.1 | 140.9 | 0 | 0 | 0 | 112.2 | K698 V705 L706 | K698-L702 PolarHBondContact O-N 2.88Å; L702-V705 PolarHBondContact O-N 3Å; L702-L706 PolarHBondContact O-N 3.42Å |
| 703 | Q | 71.4 | Confident | 67.5 | Low | 136 Ų | 136 | 113.9 Ų | 113.9 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.1 | -35.9 | 174.4 | -165.5 | 154.5 | -8 | 0 | 0 | 112 | S699 F700 Y707 | S699-Q703 WeakPolarHBondContact O-CB 3.47Å; S699-Q703 PolarHBondContact O-N 3.48Å; S699-Q703 VanDerWaalsContact O-N 3.08Å; F700-Q703 PolarHBondContact O-N 2.99Å; Q703-Y707 VanDerWaalsContact O-CB 3.31Å; Q703-Y707 WeakPolarHBondContact O-CB 3.29Å; Q703-Y707 PolarHBondContact O-N 3.19Å |
| 704 | L | 75.6 | Confident | 69.2 | Low | 85 Ų | 85 | 112.2 Ų | 112.2 | 45% | 0.445 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.1 | -41.3 | 173.5 | -155.6 | 84.3 | 0 | 0 | 0 | 111.6 | F700 I701 Y707 L708 | F700-L704 HydrophobicContact CE1-CD1 4.48Å; F700-L704 VanDerWaalsContact O-CB 3.27Å; F700-L704 WeakPolarHBondContact O-CB 3.13Å; F700-L704 PolarHBondContact O-N 3.26Å; I701-L704 PolarHBondContact O-N 2.96Å; L704-Y707 PolarHBondContact O-N 2.94Å; L704-L708 HydrophobicContact CD2-CD1 4.42Å; L704-L708 HydrophobicContact CG-CD1 4.36Å; L704-L708 WeakPolarHBondContact O-CB 3.46Å; L704-L708 VanDerWaalsContact O-CG 3.23Å; L704-L708 WeakPolarHBondContact O-CG 3.39Å; L704-L708 PolarHBondContact O-N 3.47Å |
| 705 | V | 77.9 | Confident | 71.3 | Confident | 80 Ų | 80 | 114.8 Ų | 114.8 | 49% | 0.485 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.4 | -46.7 | 178.2 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | I701 L702 Y707 L708 T709 | I701-V705 HydrophobicContact CG2-CG2 4.37Å; I701-V705 WeakPolarHBondContact O-CB 3.36Å; I701-V705 VanDerWaalsContact O-CG2 3.26Å; I701-V705 WeakPolarHBondContact O-CG2 3.36Å; I701-V705 PolarHBondContact O-N 3.4Å; L702-V705 PolarHBondContact O-N 3Å; V705-Y707 VanDerWaalsContact C-N 3.33Å; V705-Y707 PolarHBondContact O-N 2.96Å; V705-L708 PolarHBondContact O-N 3.38Å; V705-L708 VanDerWaalsContact O-N 3.16Å; V705-T709 PolarHBondContact O-N 2.86Å; V705-T709 PolarHBondContact O-OG1 3.03Å |
| 706 | L | 78.6 | Confident | 73.1 | Confident | 116 Ų | 116 | 108.7 Ų | 108.7 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.2 | -44.2 | 175.7 | -77.4 | 169 | 0 | 0 | 0 | 111.7 | L702 L708 T709 Q710 | L702-L706 PolarHBondContact O-N 3.42Å; L706-L708 VanDerWaalsContact C-N 3.35Å; L706-L708 PolarHBondContact O-N 2.65Å; L706-T709 WeakPolarHBondContact CA-OG1 3.34Å; L706-T709 PolarHBondContact O-N 2.86Å; L706-T709 PolarHBondContact O-OG1 3.48Å; L706-Q710 PolarHBondContact O-N 2.92Å |
| 707 | Y | 77.4 | Confident | 74.6 | Confident | 148 Ų | 148 | 104.7 Ų | 104.7 | 58% | 0.58 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -39.4 | 175 | -175.9 | -110.2 | 0 | 0 | 0 | 112.5 | Q703 L704 V705 Q710 L711 | Q703-Y707 VanDerWaalsContact O-CB 3.31Å; Q703-Y707 WeakPolarHBondContact O-CB 3.29Å; Q703-Y707 PolarHBondContact O-N 3.19Å; L704-Y707 PolarHBondContact O-N 2.94Å; V705-Y707 VanDerWaalsContact C-N 3.33Å; V705-Y707 PolarHBondContact O-N 2.96Å; Y707-Q710 WeakPolarHBondContact O-CB 3.29Å; Y707-Q710 PolarHBondContact O-N 3.23Å; Y707-L711 HydrophobicContact CD1-CD1 3.73Å; Y707-L711 HydrophobicContact CD1-CG 4.43Å; Y707-L711 HydrophobicContact CE1-CD1 3.37Å; Y707-L711 HydrophobicContact CE1-CG 4.16Å; Y707-L711 HydrophobicContact CG-CD1 4.48Å; Y707-L711 WeakPolarHBondContact O-CB 3.49Å; Y707-L711 WeakPolarHBondContact O-CG 3.47Å; Y707-L711 PolarHBondContact O-N 3.45Å |
| 708 | L | 81.6 | Confident | 76.2 | Confident | 88 Ų | 88 | 105.4 Ų | 105.4 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 175.9 | -74.4 | 168.4 | 0 | 0 | 0 | 112.7 | L704 V705 L706 L711 L712 | L704-L708 HydrophobicContact CD2-CD1 4.42Å; L704-L708 HydrophobicContact CG-CD1 4.36Å; L704-L708 WeakPolarHBondContact O-CB 3.46Å; L704-L708 VanDerWaalsContact O-CG 3.23Å; L704-L708 WeakPolarHBondContact O-CG 3.39Å; L704-L708 PolarHBondContact O-N 3.47Å; V705-L708 PolarHBondContact O-N 3.38Å; V705-L708 VanDerWaalsContact O-N 3.16Å; L706-L708 VanDerWaalsContact C-N 3.35Å; L706-L708 PolarHBondContact O-N 2.65Å; L708-L711 HydrophobicContact CD2-CD1 4.45Å; L708-L711 PolarHBondContact O-N 2.92Å; L708-L712 WeakPolarHBondContact O-CB 3.38Å; L708-L712 PolarHBondContact O-N 3.1Å |
| 709 | T | 78.8 | Confident | 77.6 | Confident | 80 Ų | 80 | 98.7 Ų | 98.7 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 172 | 14.8 | 0 | 0 | 0 | 0 | 112.2 | V705 L706 L712 L713 | V705-T709 PolarHBondContact O-N 2.86Å; V705-T709 PolarHBondContact O-OG1 3.03Å; L706-T709 WeakPolarHBondContact CA-OG1 3.34Å; L706-T709 PolarHBondContact O-N 2.86Å; L706-T709 PolarHBondContact O-OG1 3.48Å; T709-L712 PolarHBondContact O-N 3.43Å; T709-L713 PolarHBondContact O-N 3.21Å |
| 710 | Q | 79.7 | Confident | 79 | Confident | 103 Ų | 103 | 102 Ų | 102 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 173.9 | -177.8 | 68.9 | 19.7 | 0 | 0 | 110.7 | L706 Y707 L712 L713 E714 | L706-Q710 PolarHBondContact O-N 2.92Å; Y707-Q710 WeakPolarHBondContact O-CB 3.29Å; Y707-Q710 PolarHBondContact O-N 3.23Å; Q710-L712 VanDerWaalsContact C-N 3.32Å; Q710-L712 PolarHBondContact O-N 3.42Å; Q710-L713 PolarHBondContact O-N 2.92Å; Q710-E714 PolarHBondContact NE2-OE1 3.13Å; Q710-E714 WeakPolarHBondContact O-CG 3.42Å; Q710-E714 PolarHBondContact O-N 3.26Å |
| 711 | L | 81.5 | Confident | 80 | Confident | 65 Ų | 65 | 98.9 Ų | 98.9 | 34% | 0.34 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 176.2 | -74.5 | 174.1 | 0 | 0 | 0 | 113 | Y707 L708 R715 | Y707-L711 HydrophobicContact CD1-CD1 3.73Å; Y707-L711 HydrophobicContact CD1-CG 4.43Å; Y707-L711 HydrophobicContact CE1-CD1 3.37Å; Y707-L711 HydrophobicContact CE1-CG 4.16Å; Y707-L711 HydrophobicContact CG-CD1 4.48Å; Y707-L711 WeakPolarHBondContact O-CB 3.49Å; Y707-L711 WeakPolarHBondContact O-CG 3.47Å; Y707-L711 PolarHBondContact O-N 3.45Å; L708-L711 HydrophobicContact CD2-CD1 4.45Å; L708-L711 PolarHBondContact O-N 2.92Å; L711-R715 WeakPolarHBondContact O-CB 3.37Å; L711-R715 PolarHBondContact O-N 3.5Å |
| 712 | L | 83 | Confident | 81 | Confident | 108 Ų | 108 | 99.9 Ų | 99.9 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.2 | -39.2 | 175.2 | -97 | 157.2 | 0 | 0 | 0 | 112 | L708 T709 Q710 S716 | L708-L712 WeakPolarHBondContact O-CB 3.38Å; L708-L712 PolarHBondContact O-N 3.1Å; T709-L712 PolarHBondContact O-N 3.43Å; Q710-L712 VanDerWaalsContact C-N 3.32Å; Q710-L712 PolarHBondContact O-N 3.42Å; L712-S716 PolarHBondContact O-N 3Å |
| 713 | L | 85.1 | Confident | 82 | Confident | 117 Ų | 117 | 98.6 Ų | 98.6 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.9 | -46.2 | 176.5 | -154.5 | 84.3 | 0 | 0 | 0 | 110.9 | T709 Q710 R715 S716 A717 | T709-L713 PolarHBondContact O-N 3.21Å; Q710-L713 PolarHBondContact O-N 2.92Å; L713-R715 PolarHBondContact O-N 3.38Å; L713-S716 WeakPolarHBondContact O-CB 3.42Å; L713-S716 PolarHBondContact O-N 3.09Å; L713-S716 VanDerWaalsContact O-N 3.12Å; L713-S716 PolarHBondContact O-OG 3.17Å; L713-A717 PolarHBondContact O-N 3.26Å |
| 714 | E | 84.5 | Confident | 82.8 | Confident | 91 Ų | 91 | 97 Ų | 97 | 43% | 0.425 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 174.8 | -73.6 | 173.1 | -167.5 | 0 | 0 | 111.6 | Q710 S716 A717 I718 | Q710-E714 PolarHBondContact NE2-OE1 3.13Å; Q710-E714 WeakPolarHBondContact O-CG 3.42Å; Q710-E714 PolarHBondContact O-N 3.26Å; E714-S716 VanDerWaalsContact C-N 3.31Å; E714-S716 PolarHBondContact O-N 3.18Å; E714-A717 PolarHBondContact O-N 3.14Å; E714-A717 VanDerWaalsContact O-N 3.16Å; E714-I718 VanDerWaalsContact O-CG1 3.31Å; E714-I718 WeakPolarHBondContact O-CG1 3.49Å; E714-I718 PolarHBondContact O-N 3.46Å |
| 715 | R | 82.8 | Confident | 83.2 | Confident | 186 Ų | 186 | 95.8 Ų | 95.8 | 70% | 0.702 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.7 | -41.4 | 172.8 | 178.2 | -179.1 | 161.4 | 179.2 | -4.7 | 111.8 | L711 L713 I718 A719 | L711-R715 WeakPolarHBondContact O-CB 3.37Å; L711-R715 PolarHBondContact O-N 3.5Å; L713-R715 PolarHBondContact O-N 3.38Å; R715-I718 PolarHBondContact O-N 3.44Å; R715-A719 WeakPolarHBondContact O-CB 3.47Å; R715-A719 PolarHBondContact O-N 2.92Å |
| 716 | S | 82.3 | Confident | 83.8 | Confident | 36 Ų | 36 | 101.1 Ų | 101.1 | 25% | 0.252 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 176.9 | 83.2 | 0 | 0 | 0 | 0 | 112.5 | L712 L713 E714 R720 | L712-S716 PolarHBondContact O-N 3Å; L713-S716 WeakPolarHBondContact O-CB 3.42Å; L713-S716 PolarHBondContact O-N 3.09Å; L713-S716 VanDerWaalsContact O-N 3.12Å; L713-S716 PolarHBondContact O-OG 3.17Å; E714-S716 VanDerWaalsContact C-N 3.31Å; E714-S716 PolarHBondContact O-N 3.18Å; S716-R720 WeakPolarHBondContact O-CG 3.41Å; S716-R720 PolarHBondContact O-N 3.3Å; S716-R720 VanDerWaalsContact O-N 3.15Å; S716-R720 PolarHBondContact O-NH1 2.91Å; S716-R720 PolarHBondContact OG-NH1 3.39Å; S716-R720 PolarHBondContact OG-NH2 3.35Å |
| 717 | A | 83.5 | Confident | 84.4 | Confident | 53 Ų | 53 | 100.9 Ų | 100.9 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.5 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L713 E714 R720 S721 | L713-A717 PolarHBondContact O-N 3.26Å; E714-A717 PolarHBondContact O-N 3.14Å; E714-A717 VanDerWaalsContact O-N 3.16Å; A717-R720 PolarHBondContact O-N 3.47Å; A717-S721 PolarHBondContact O-N 3.14Å; A717-S721 VanDerWaalsContact O-N 3.09Å |
| 718 | I | 86.1 | Confident | 85 | Confident | 104 Ų | 104 | 100.3 Ų | 100.3 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 174.6 | -66.1 | 165.8 | 0 | 0 | 0 | 110.7 | E714 R715 R720 S721 L722 | E714-I718 VanDerWaalsContact O-CG1 3.31Å; E714-I718 WeakPolarHBondContact O-CG1 3.49Å; E714-I718 PolarHBondContact O-N 3.46Å; R715-I718 PolarHBondContact O-N 3.44Å; I718-R720 PolarHBondContact O-N 3Å; I718-S721 WeakPolarHBondContact O-CB 3.31Å; I718-S721 PolarHBondContact O-N 2.94Å; I718-L722 HydrophobicContact CG2-CD1 4.06Å; I718-L722 WeakPolarHBondContact O-CB 3.4Å; I718-L722 PolarHBondContact O-N 2.98Å |
| 719 | A | 85.1 | Confident | 85.3 | Confident | 44 Ų | 44 | 100.3 Ų | 100.3 | 36% | 0.364 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.8 | -46.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R715 S721 L722 D723 | R715-A719 WeakPolarHBondContact O-CB 3.47Å; R715-A719 PolarHBondContact O-N 2.92Å; A719-S721 VanDerWaalsContact C-N 3.34Å; A719-S721 PolarHBondContact O-N 3.33Å; A719-L722 WeakPolarHBondContact O-CB 3.4Å; A719-L722 PolarHBondContact O-N 3.3Å; A719-D723 PolarHBondContact O-N 2.96Å |
| 720 | R | 86.2 | Confident | 85.9 | Confident | 154 Ų | 154 | 98.4 Ų | 98.4 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -39.5 | 175.5 | -67.1 | -176.5 | -149.4 | 91.5 | 3.7 | 112.3 | S716 A717 I718 L722 D723 V724 | S716-R720 WeakPolarHBondContact O-CG 3.41Å; S716-R720 PolarHBondContact O-N 3.3Å; S716-R720 VanDerWaalsContact O-N 3.15Å; S716-R720 PolarHBondContact O-NH1 2.91Å; S716-R720 PolarHBondContact OG-NH1 3.39Å; S716-R720 PolarHBondContact OG-NH2 3.35Å; A717-R720 PolarHBondContact O-N 3.47Å; I718-R720 PolarHBondContact O-N 3Å; R720-L722 VanDerWaalsContact C-N 3.34Å; R720-D723 PolarHBondContact O-N 3.19Å; R720-V724 WeakPolarHBondContact O-CG2 3.49Å; R720-V724 PolarHBondContact O-N 2.98Å |
| 721 | S | 85.4 | Confident | 86.3 | Confident | 73 Ų | 73 | 95.9 Ų | 95.9 | 51% | 0.51 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 176 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | A717 I718 A719 S725 | A717-S721 PolarHBondContact O-N 3.14Å; A717-S721 VanDerWaalsContact O-N 3.09Å; I718-S721 WeakPolarHBondContact O-CB 3.31Å; I718-S721 PolarHBondContact O-N 2.94Å; A719-S721 VanDerWaalsContact C-N 3.34Å; A719-S721 PolarHBondContact O-N 3.33Å; S721-S725 WeakPolarHBondContact O-CB 3.49Å; S721-S725 PolarHBondContact O-N 2.85Å; S721-S725 PolarHBondContact O-OG 3.46Å |
| 722 | L | 87.5 | Confident | 86.7 | Confident | 110 Ų | 110 | 97 Ų | 97 | 58% | 0.576 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.6 | -41.3 | 173.4 | -95.8 | 160.7 | 0 | 0 | 0 | 112.3 | I718 A719 R720 S725 R726 | I718-L722 HydrophobicContact CG2-CD1 4.06Å; I718-L722 WeakPolarHBondContact O-CB 3.4Å; I718-L722 PolarHBondContact O-N 2.98Å; A719-L722 WeakPolarHBondContact O-CB 3.4Å; A719-L722 PolarHBondContact O-N 3.3Å; R720-L722 VanDerWaalsContact C-N 3.34Å; L722-S725 PolarHBondContact O-N 2.95Å; L722-R726 WeakPolarHBondContact O-CB 3.49Å; L722-R726 PolarHBondContact O-N 3.43Å |
| 723 | D | 88.9 | Confident | 87.1 | Confident | 93 Ų | 93 | 94.7 Ų | 94.7 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 177.2 | -74.8 | -27.6 | 0 | 0 | 0 | 111.5 | A719 R720 R726 V727 | A719-D723 PolarHBondContact O-N 2.96Å; R720-D723 PolarHBondContact O-N 3.19Å; D723-R726 PolarHBondContact O-N 3.48Å; D723-V727 WeakPolarHBondContact O-CG2 3.5Å; D723-V727 PolarHBondContact O-N 3.25Å |
| 724 | V | 88.4 | Confident | 87.5 | Confident | 104 Ų | 104 | 95 Ų | 95 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.4 | -45.3 | 173 | 172.2 | 0 | 0 | 0 | 0 | 111 | R720 R726 V727 F728 | R720-V724 WeakPolarHBondContact O-CG2 3.49Å; R720-V724 PolarHBondContact O-N 2.98Å; V724-R726 VanDerWaalsContact C-N 3.3Å; V724-R726 PolarHBondContact O-N 3.41Å; V724-V727 PolarHBondContact O-N 2.9Å; V724-F728 PolarHBondContact O-N 3.41Å |
| 725 | S | 83.3 | Confident | 87.8 | Confident | 59 Ų | 59 | 96.8 Ų | 96.8 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | S721 L722 F728 V729 | S721-S725 WeakPolarHBondContact O-CB 3.49Å; S721-S725 PolarHBondContact O-N 2.85Å; S721-S725 PolarHBondContact O-OG 3.46Å; L722-S725 PolarHBondContact O-N 2.95Å; S725-F728 PolarHBondContact O-N 2.93Å; S725-V729 WeakPolarHBondContact O-CB 3.33Å; S725-V729 VanDerWaalsContact O-CG2 3.26Å; S725-V729 WeakPolarHBondContact O-CG2 3.43Å; S725-V729 PolarHBondContact O-N 2.92Å |
| 726 | R | 91 | Very high | 88.2 | Confident | 192 Ų | 192 | 93.2 Ų | 93.2 | 73% | 0.725 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.8 | -43.6 | 177.4 | 179.2 | -177.9 | -81.6 | -162.2 | -4.7 | 111.9 | L722 D723 V724 F728 V729 G730 | L722-R726 WeakPolarHBondContact O-CB 3.49Å; L722-R726 PolarHBondContact O-N 3.43Å; D723-R726 PolarHBondContact O-N 3.48Å; V724-R726 VanDerWaalsContact C-N 3.3Å; V724-R726 PolarHBondContact O-N 3.41Å; R726-F728 VanDerWaalsContact C-N 3.32Å; R726-V729 PolarHBondContact O-N 2.86Å; R726-G730 PolarHBondContact O-N 2.86Å |
| 727 | V | 90.9 | Very high | 88.7 | Confident | 110 Ų | 110 | 96.3 Ų | 96.3 | 67% | 0.667 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.3 | -42.3 | 175.5 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | D723 V724 G730 A731 | D723-V727 WeakPolarHBondContact O-CG2 3.5Å; D723-V727 PolarHBondContact O-N 3.25Å; V724-V727 PolarHBondContact O-N 2.9Å; V727-G730 PolarHBondContact O-N 3.4Å; V727-A731 PolarHBondContact O-N 2.61Å |
| 728 | F | 89.4 | Confident | 89.1 | Confident | 137 Ų | 137 | 97 Ų | 97 | 60% | 0.601 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -44.4 | 177.4 | -174.2 | -107.2 | 0 | 0 | 0 | 112.7 | V724 S725 R726 G730 A731 I732 | V724-F728 PolarHBondContact O-N 3.41Å; S725-F728 PolarHBondContact O-N 2.93Å; R726-F728 VanDerWaalsContact C-N 3.32Å; F728-G730 VanDerWaalsContact C-N 3.32Å; F728-G730 PolarHBondContact O-N 2.67Å; F728-A731 PolarHBondContact O-N 2.87Å; F728-I732 HydrophobicContact CD1-CD1 3.77Å; F728-I732 HydrophobicContact CE1-CD1 3.27Å; F728-I732 HydrophobicContact CE1-CG1 4.35Å; F728-I732 HydrophobicContact CE2-CD1 4.33Å; F728-I732 HydrophobicContact CG-CD1 4.5Å; F728-I732 HydrophobicContact CZ-CD1 3.59Å; F728-I732 HydrophobicContact CZ-CG1 4.4Å; F728-I732 WeakPolarHBondContact O-CG1 3.46Å; F728-I732 PolarHBondContact O-N 3.49Å |
| 729 | V | 88 | Confident | 89.5 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 53% | 0.533 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.9 | -41 | 173.8 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | S725 R726 A731 I732 S733 | S725-V729 WeakPolarHBondContact O-CB 3.33Å; S725-V729 VanDerWaalsContact O-CG2 3.26Å; S725-V729 WeakPolarHBondContact O-CG2 3.43Å; S725-V729 PolarHBondContact O-N 2.92Å; R726-V729 PolarHBondContact O-N 2.86Å; V729-A731 PolarHBondContact O-N 3.01Å; V729-I732 PolarHBondContact O-N 3.26Å; V729-S733 WeakPolarHBondContact O-CB 3.33Å; V729-S733 PolarHBondContact O-N 2.69Å; V729-S733 PolarHBondContact O-OG 3.15Å |
| 730 | G | 90.4 | Very high | 89.8 | Confident | 39 Ų | 39 | 101.7 Ų | 101.7 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R726 V727 F728 S733 E734 | R726-G730 PolarHBondContact O-N 2.86Å; V727-G730 PolarHBondContact O-N 3.4Å; F728-G730 VanDerWaalsContact C-N 3.32Å; F728-G730 PolarHBondContact O-N 2.67Å; G730-S733 PolarHBondContact O-N 2.98Å; G730-E734 PolarHBondContact O-N 3.04Å |
| 731 | A | 89.6 | Confident | 90.1 | Very high | 50 Ų | 50 | 101.9 Ų | 101.9 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.7 | -40.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V727 F728 V729 E734 Q735 | V727-A731 PolarHBondContact O-N 2.61Å; F728-A731 PolarHBondContact O-N 2.87Å; V729-A731 PolarHBondContact O-N 3.01Å; A731-E734 PolarHBondContact O-N 3.33Å; A731-Q735 VanDerWaalsContact O-CG 3.3Å; A731-Q735 WeakPolarHBondContact O-CG 3.47Å; A731-Q735 PolarHBondContact O-N 3.49Å; A731-Q735 VanDerWaalsContact O-N 3.09Å |
| 732 | I | 89.3 | Confident | 90.5 | Very high | 90 Ų | 90 | 103.3 Ų | 103.3 | 46% | 0.462 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 175.5 | -69.5 | 174.9 | 0 | 0 | 0 | 111.2 | F728 V729 E734 Q735 L736 | F728-I732 HydrophobicContact CD1-CD1 3.77Å; F728-I732 HydrophobicContact CE1-CD1 3.27Å; F728-I732 HydrophobicContact CE1-CG1 4.35Å; F728-I732 HydrophobicContact CE2-CD1 4.33Å; F728-I732 HydrophobicContact CG-CD1 4.5Å; F728-I732 HydrophobicContact CZ-CD1 3.59Å; F728-I732 HydrophobicContact CZ-CG1 4.4Å; F728-I732 WeakPolarHBondContact O-CG1 3.46Å; F728-I732 PolarHBondContact O-N 3.49Å; V729-I732 PolarHBondContact O-N 3.26Å; I732-E734 PolarHBondContact O-N 3.34Å; I732-Q735 PolarHBondContact O-N 2.97Å; I732-L736 PolarHBondContact O-N 2.9Å |
| 733 | S | 90.5 | Very high | 90.6 | Very high | 59 Ų | 59 | 103.7 Ų | 103.7 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.1 | -42.4 | 176.2 | -72.2 | 0 | 0 | 0 | 0 | 112.1 | V729 G730 L736 E737 | V729-S733 WeakPolarHBondContact O-CB 3.33Å; V729-S733 PolarHBondContact O-N 2.69Å; V729-S733 PolarHBondContact O-OG 3.15Å; G730-S733 PolarHBondContact O-N 2.98Å; S733-L736 PolarHBondContact O-N 3.17Å; S733-E737 PolarHBondContact O-N 3.15Å |
| 734 | E | 93.8 | Very high | 90.8 | Very high | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.7 | -41 | 176.3 | -170.8 | 179.5 | 178.1 | 0 | 0 | 112.1 | G730 A731 I732 L736 E737 N738 | G730-E734 PolarHBondContact O-N 3.04Å; A731-E734 PolarHBondContact O-N 3.33Å; I732-E734 PolarHBondContact O-N 3.34Å; E734-L736 VanDerWaalsContact C-N 3.34Å; E734-L736 PolarHBondContact O-N 3.41Å; E734-E737 PolarHBondContact O-N 2.86Å; E734-N738 WeakPolarHBondContact O-CB 3.31Å; E734-N738 PolarHBondContact O-N 3.02Å; E734-N738 PolarHBondContact O-ND2 3.14Å |
| 735 | Q | 91.3 | Very high | 90.9 | Very high | 129 Ų | 129 | 99.8 Ų | 99.8 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.1 | -39.3 | 174.4 | -69.3 | -65.3 | -25.8 | 0 | 0 | 112.2 | A731 I732 N738 L739 | A731-Q735 VanDerWaalsContact O-CG 3.3Å; A731-Q735 WeakPolarHBondContact O-CG 3.47Å; A731-Q735 PolarHBondContact O-N 3.49Å; A731-Q735 VanDerWaalsContact O-N 3.09Å; I732-Q735 PolarHBondContact O-N 2.97Å; Q735-N738 PolarHBondContact O-N 3.5Å; Q735-L739 WeakPolarHBondContact O-CB 3.32Å; Q735-L739 PolarHBondContact O-N 3.27Å |
| 736 | L | 90.6 | Very high | 91.4 | Very high | 111 Ų | 111 | 101.4 Ų | 101.4 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -44.1 | 176.2 | -176.1 | 67.2 | 0 | 0 | 0 | 111.5 | I732 S733 E734 L739 Q740 | I732-L736 PolarHBondContact O-N 2.9Å; S733-L736 PolarHBondContact O-N 3.17Å; E734-L736 VanDerWaalsContact C-N 3.34Å; E734-L736 PolarHBondContact O-N 3.41Å; L736-L739 PolarHBondContact O-N 3.49Å; L736-Q740 WeakPolarHBondContact O-CB 3.44Å; L736-Q740 PolarHBondContact O-N 3.2Å |
| 737 | E | 93.1 | Very high | 91.4 | Very high | 102 Ų | 102 | 96.1 Ų | 96.1 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 175.7 | -78 | -171.8 | -163 | 0 | 0 | 112.1 | S733 E734 Q740 R741 | S733-E737 PolarHBondContact O-N 3.15Å; E734-E737 PolarHBondContact O-N 2.86Å; E737-Q740 PolarHBondContact O-N 2.98Å; E737-R741 WeakPolarHBondContact O-CG 3.49Å; E737-R741 PolarHBondContact O-N 3.32Å; E737-R741 IonicContact OE2-NH2 3.92Å; E737-R741 PolarHBondContact OE2-NH2 3.45Å |
| 738 | N | 93.1 | Very high | 91.5 | Very high | 67 Ų | 67 | 96.7 Ų | 96.7 | 36% | 0.358 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 177.4 | -73.6 | -27.7 | 0 | 0 | 0 | 111.9 | E734 Q735 Q740 R741 L742 | E734-N738 WeakPolarHBondContact O-CB 3.31Å; E734-N738 PolarHBondContact O-N 3.02Å; E734-N738 PolarHBondContact O-ND2 3.14Å; Q735-N738 PolarHBondContact O-N 3.5Å; N738-Q740 VanDerWaalsContact C-N 3.33Å; N738-Q740 PolarHBondContact O-N 2.95Å; N738-R741 PolarHBondContact O-N 3.25Å; N738-L742 PolarHBondContact O-N 3.05Å |
| 739 | L | 92.9 | Very high | 91.6 | Very high | 111 Ų | 111 | 94.8 Ų | 94.8 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.3 | -39.4 | 175.1 | -170.9 | 69 | 0 | 0 | 0 | 111.5 | Q735 L736 L742 H743 | Q735-L739 WeakPolarHBondContact O-CB 3.32Å; Q735-L739 PolarHBondContact O-N 3.27Å; L736-L739 PolarHBondContact O-N 3.49Å; L739-L742 PolarHBondContact O-N 3.44Å; L739-H743 WeakPolarHBondContact O-CB 3.48Å; L739-H743 PolarHBondContact O-N 3.05Å |
| 740 | Q | 92.3 | Very high | 91.8 | Very high | 136 Ų | 136 | 95.8 Ų | 95.8 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -41.5 | 176 | -172.4 | 176.7 | -7.4 | 0 | 0 | 111.7 | L736 E737 N738 H743 S744 | L736-Q740 WeakPolarHBondContact O-CB 3.44Å; L736-Q740 PolarHBondContact O-N 3.2Å; E737-Q740 PolarHBondContact O-N 2.98Å; N738-Q740 VanDerWaalsContact C-N 3.33Å; N738-Q740 PolarHBondContact O-N 2.95Å; Q740-H743 PolarHBondContact O-N 3.36Å; Q740-S744 PolarHBondContact O-N 2.91Å |
| 741 | R | 93.3 | Very high | 92 | Very high | 157 Ų | 157 | 99.9 Ų | 99.9 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.8 | -42.8 | 174 | -70.7 | 178.1 | -163.2 | 168.6 | 10.2 | 111.8 | E737 N738 H743 S744 C745 | E737-R741 WeakPolarHBondContact O-CG 3.49Å; E737-R741 PolarHBondContact O-N 3.32Å; E737-R741 IonicContact OE2-NH2 3.92Å; E737-R741 PolarHBondContact OE2-NH2 3.45Å; N738-R741 PolarHBondContact O-N 3.25Å; R741-H743 VanDerWaalsContact C-N 3.35Å; R741-H743 PolarHBondContact O-N 3.33Å; R741-S744 WeakPolarHBondContact O-CB 3.24Å; R741-S744 PolarHBondContact O-N 3.22Å; R741-C745 WeakPolarHBondContact O-CB 3.34Å; R741-C745 PolarHBondContact O-N 2.89Å |
| 742 | L | 93.4 | Very high | 92.1 | Very high | 104 Ų | 104 | 99.4 Ų | 99.4 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 176.1 | -176.4 | 66.2 | 0 | 0 | 0 | 111.5 | N738 L739 S744 C745 K746 | N738-L742 PolarHBondContact O-N 3.05Å; L739-L742 PolarHBondContact O-N 3.44Å; L742-S744 VanDerWaalsContact C-N 3.34Å; L742-C745 PolarHBondContact O-N 3.48Å; L742-K746 WeakPolarHBondContact O-CB 3.47Å; L742-K746 WeakPolarHBondContact O-CG 3.39Å; L742-K746 PolarHBondContact O-N 3.04Å |
| 743 | H | 89.8 | Confident | 92.4 | Very high | 117 Ų | 117 | 98.8 Ų | 98.8 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 176.5 | -166.8 | -62.6 | 0 | 0 | 0 | 111.9 | L739 Q740 R741 K746 N747 | L739-H743 WeakPolarHBondContact O-CB 3.48Å; L739-H743 PolarHBondContact O-N 3.05Å; Q740-H743 PolarHBondContact O-N 3.36Å; R741-H743 VanDerWaalsContact C-N 3.35Å; R741-H743 PolarHBondContact O-N 3.33Å; H743-K746 PolarHBondContact O-N 3.33Å; H743-N747 PolarHBondContact CE1-ND2 3.42Å; H743-N747 PolarHBondContact CE1-OD1 3.4Å; H743-N747 VanDerWaalsContact CE1-OD1 3.29Å; H743-N747 PolarHBondContact ND1-ND2 3.39Å; H743-N747 WeakPolarHBondContact O-CB 3.48Å; H743-N747 VanDerWaalsContact O-CG 3.32Å; H743-N747 PolarHBondContact O-N 3.21Å |
| 744 | S | 91.9 | Very high | 92.6 | Very high | 57 Ų | 57 | 99.4 Ų | 99.4 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -50.1 | 173.3 | -163 | 0 | 0 | 0 | 0 | 111.1 | Q740 R741 L742 K746 N747 E748 | Q740-S744 PolarHBondContact O-N 2.91Å; R741-S744 WeakPolarHBondContact O-CB 3.24Å; R741-S744 PolarHBondContact O-N 3.22Å; L742-S744 VanDerWaalsContact C-N 3.34Å; S744-K746 VanDerWaalsContact C-N 3.33Å; S744-K746 PolarHBondContact O-N 3.25Å; S744-N747 WeakPolarHBondContact O-CB 3.46Å; S744-N747 PolarHBondContact O-N 3.36Å; S744-N747 VanDerWaalsContact O-N 3.16Å; S744-E748 WeakPolarHBondContact O-CG 3.33Å; S744-E748 PolarHBondContact O-N 3.41Å; S744-E748 PolarHBondContact OG-OE1 3.39Å |
| 745 | C | 90.8 | Very high | 92.7 | Very high | 58 Ų | 58 | 98.3 Ų | 98.3 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 177.6 | -173 | 0 | 0 | 0 | 0 | 112 | R741 L742 E748 E749 | R741-C745 WeakPolarHBondContact O-CB 3.34Å; R741-C745 PolarHBondContact O-N 2.89Å; L742-C745 PolarHBondContact O-N 3.48Å; C745-E748 PolarHBondContact O-N 3.35Å; C745-E749 WeakPolarHBondContact O-CG 3.2Å; C745-E749 PolarHBondContact O-N 2.93Å |
| 746 | K | 93.3 | Very high | 92.8 | Very high | 93 Ų | 93 | 97.8 Ų | 97.8 | 40% | 0.404 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.7 | -84.3 | -76.7 | 166.2 | -148.4 | 0 | 112.3 | L742 H743 S744 E749 H750 | L742-K746 WeakPolarHBondContact O-CB 3.47Å; L742-K746 WeakPolarHBondContact O-CG 3.39Å; L742-K746 PolarHBondContact O-N 3.04Å; H743-K746 PolarHBondContact O-N 3.33Å; S744-K746 VanDerWaalsContact C-N 3.33Å; S744-K746 PolarHBondContact O-N 3.25Å; K746-E749 IonicContact NZ-OE2 2.78Å; K746-E749 PolarHBondContact NZ-OE2 3.02Å; K746-E749 PolarHBondContact O-N 3.37Å; K746-H750 PolarHBondContact O-CD2 2.91Å; K746-H750 VanDerWaalsContact O-CG 3.27Å; K746-H750 PolarHBondContact O-N 2.83Å |
| 747 | N | 91.7 | Very high | 93 | Very high | 82 Ų | 82 | 97.1 Ų | 97.1 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 175.7 | -80.7 | -2.6 | 0 | 0 | 0 | 111.9 | H743 S744 H750 E751 | H743-N747 PolarHBondContact CE1-ND2 3.42Å; H743-N747 PolarHBondContact CE1-OD1 3.4Å; H743-N747 VanDerWaalsContact CE1-OD1 3.29Å; H743-N747 PolarHBondContact ND1-ND2 3.39Å; H743-N747 WeakPolarHBondContact O-CB 3.48Å; H743-N747 VanDerWaalsContact O-CG 3.32Å; H743-N747 PolarHBondContact O-N 3.21Å; S744-N747 WeakPolarHBondContact O-CB 3.46Å; S744-N747 PolarHBondContact O-N 3.36Å; S744-N747 VanDerWaalsContact O-N 3.16Å; N747-H750 PolarHBondContact O-N 2.94Å; N747-E751 WeakPolarHBondContact O-CB 3.49Å; N747-E751 PolarHBondContact O-N 2.89Å |
| 748 | E | 92.3 | Very high | 93.1 | Very high | 121 Ų | 121 | 97.9 Ų | 97.9 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.8 | -41.1 | 176.5 | -71.1 | 166.8 | -151.5 | 0 | 0 | 111.9 | S744 C745 E751 G752 | S744-E748 WeakPolarHBondContact O-CG 3.33Å; S744-E748 PolarHBondContact O-N 3.41Å; S744-E748 PolarHBondContact OG-OE1 3.39Å; C745-E748 PolarHBondContact O-N 3.35Å; E748-E751 PolarHBondContact O-N 3.29Å; E748-G752 PolarHBondContact O-N 2.98Å |
| 749 | E | 92.2 | Very high | 93.2 | Very high | 97 Ų | 97 | 98.8 Ų | 98.8 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 172 | -74.3 | 175.8 | 179.7 | 0 | 0 | 111.6 | C745 K746 G752 V753 | C745-E749 WeakPolarHBondContact O-CG 3.2Å; C745-E749 PolarHBondContact O-N 2.93Å; K746-E749 IonicContact NZ-OE2 2.78Å; K746-E749 PolarHBondContact NZ-OE2 3.02Å; K746-E749 PolarHBondContact O-N 3.37Å; E749-G752 PolarHBondContact O-N 3.39Å; E749-V753 WeakPolarHBondContact O-CG2 3.42Å; E749-V753 PolarHBondContact O-N 3.38Å |
| 750 | H | 92.1 | Very high | 93.2 | Very high | 110 Ų | 110 | 98.2 Ų | 98.2 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 177.5 | -70.2 | -47.3 | 0 | 0 | 0 | 111.8 | K746 N747 V753 V754 | K746-H750 PolarHBondContact O-CD2 2.91Å; K746-H750 VanDerWaalsContact O-CG 3.27Å; K746-H750 PolarHBondContact O-N 2.83Å; N747-H750 PolarHBondContact O-N 2.94Å; H750-V753 PolarHBondContact O-N 3.02Å; H750-V754 WeakPolarHBondContact O-CB 3.28Å; H750-V754 VanDerWaalsContact O-CG2 3.24Å; H750-V754 WeakPolarHBondContact O-CG2 3.4Å; H750-V754 PolarHBondContact O-N 3.44Å |
| 751 | E | 94.3 | Very high | 93.3 | Very high | 124 Ų | 124 | 97.9 Ų | 97.9 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 175.8 | -172.1 | 171.5 | -173 | 0 | 0 | 111.4 | N747 E748 V753 V754 L755 | N747-E751 WeakPolarHBondContact O-CB 3.49Å; N747-E751 PolarHBondContact O-N 2.89Å; E748-E751 PolarHBondContact O-N 3.29Å; E751-V753 PolarHBondContact O-N 3.4Å; E751-V754 PolarHBondContact O-N 2.86Å; E751-L755 HydrophobicContact CG-CD1 4.36Å; E751-L755 WeakPolarHBondContact O-CG 3.28Å; E751-L755 PolarHBondContact O-N 3.03Å |
| 752 | G | 93.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 92 Ų | 92 | 41% | 0.412 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59 | -46 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | E748 E749 L755 Q756 | E748-G752 PolarHBondContact O-N 2.98Å; E749-G752 PolarHBondContact O-N 3.39Å; G752-L755 PolarHBondContact O-N 3.41Å; G752-Q756 WeakPolarHBondContact O-CB 3.42Å; G752-Q756 PolarHBondContact O-N 3.38Å |
| 753 | V | 95.5 | Very high | 93.5 | Very high | 78 Ų | 78 | 89.9 Ų | 89.9 | 47% | 0.473 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176 | 174.2 | 0 | 0 | 0 | 0 | 111.4 | E749 H750 E751 Q756 L757 | E749-V753 WeakPolarHBondContact O-CG2 3.42Å; E749-V753 PolarHBondContact O-N 3.38Å; H750-V753 PolarHBondContact O-N 3.02Å; E751-V753 PolarHBondContact O-N 3.4Å; V753-Q756 PolarHBondContact O-N 3.44Å; V753-L757 HydrophobicContact CG1-CD1 4.07Å; V753-L757 HydrophobicContact CG1-CG 4.41Å; V753-L757 WeakPolarHBondContact O-CG 3.35Å; V753-L757 PolarHBondContact O-N 3.45Å |
| 754 | V | 94.3 | Very high | 93.6 | Very high | 72 Ų | 72 | 86.6 Ų | 86.6 | 44% | 0.436 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.3 | 168.4 | 0 | 0 | 0 | 0 | 111 | H750 E751 Q756 L757 Q758 | H750-V754 WeakPolarHBondContact O-CB 3.28Å; H750-V754 VanDerWaalsContact O-CG2 3.24Å; H750-V754 WeakPolarHBondContact O-CG2 3.4Å; H750-V754 PolarHBondContact O-N 3.44Å; E751-V754 PolarHBondContact O-N 2.86Å; V754-Q756 VanDerWaalsContact C-N 3.33Å; V754-Q756 PolarHBondContact O-N 2.86Å; V754-L757 PolarHBondContact O-N 3.13Å; V754-Q758 HydrophobicContact CG1-CG 4.36Å; V754-Q758 WeakPolarHBondContact O-CB 3.4Å; V754-Q758 VanDerWaalsContact O-CG 3.26Å; V754-Q758 WeakPolarHBondContact O-CG 3.33Å; V754-Q758 PolarHBondContact O-N 3.47Å |
| 755 | L | 94.9 | Very high | 93.8 | Very high | 99 Ų | 99 | 89.1 Ų | 89.1 | 52% | 0.518 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 176.3 | -71.5 | 172.7 | 0 | 0 | 0 | 111.8 | E751 G752 Q758 S759 | E751-L755 HydrophobicContact CG-CD1 4.36Å; E751-L755 WeakPolarHBondContact O-CG 3.28Å; E751-L755 PolarHBondContact O-N 3.03Å; G752-L755 PolarHBondContact O-N 3.41Å; L755-Q758 PolarHBondContact O-N 3.11Å; L755-S759 WeakPolarHBondContact O-CB 3.34Å; L755-S759 PolarHBondContact O-N 2.87Å |
| 756 | Q | 94.8 | Very high | 93.9 | Very high | 118 Ų | 118 | 91.1 Ų | 91.1 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.8 | -46.6 | 175.3 | -174.5 | 177.9 | 0.2 | 0 | 0 | 111.7 | G752 V753 V754 S759 Q760 | G752-Q756 WeakPolarHBondContact O-CB 3.42Å; G752-Q756 PolarHBondContact O-N 3.38Å; V753-Q756 PolarHBondContact O-N 3.44Å; V754-Q756 VanDerWaalsContact C-N 3.33Å; V754-Q756 PolarHBondContact O-N 2.86Å; Q756-S759 PolarHBondContact O-N 2.72Å; Q756-Q760 WeakPolarHBondContact O-CG 3.26Å; Q756-Q760 PolarHBondContact O-N 2.88Å |
| 757 | L | 94.5 | Very high | 94 | Very high | 97 Ų | 97 | 92.5 Ų | 92.5 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 176.4 | -72.1 | 173.8 | 0 | 0 | 0 | 112 | V753 V754 Q760 L761 | V753-L757 HydrophobicContact CG1-CD1 4.07Å; V753-L757 HydrophobicContact CG1-CG 4.41Å; V753-L757 WeakPolarHBondContact O-CG 3.35Å; V753-L757 PolarHBondContact O-N 3.45Å; V754-L757 PolarHBondContact O-N 3.13Å; L757-Q760 PolarHBondContact O-N 3.2Å; L757-L761 WeakPolarHBondContact O-CB 3.49Å; L757-L761 PolarHBondContact O-N 3.37Å |
| 758 | Q | 94.1 | Very high | 94.2 | Very high | 117 Ų | 117 | 92 Ų | 92 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 174.4 | -76.7 | 176.4 | -5.9 | 0 | 0 | 111.7 | V754 L755 L761 G762 | V754-Q758 HydrophobicContact CG1-CG 4.36Å; V754-Q758 WeakPolarHBondContact O-CB 3.4Å; V754-Q758 VanDerWaalsContact O-CG 3.26Å; V754-Q758 WeakPolarHBondContact O-CG 3.33Å; V754-Q758 PolarHBondContact O-N 3.47Å; L755-Q758 PolarHBondContact O-N 3.11Å; Q758-L761 PolarHBondContact O-N 3.22Å; Q758-G762 PolarHBondContact O-N 3.38Å |
| 759 | S | 94.7 | Very high | 94.2 | Very high | 86 Ų | 86 | 89.1 Ų | 89.1 | 60% | 0.601 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 174.8 | -175 | 0 | 0 | 0 | 0 | 111.9 | L755 Q756 G762 S763 | L755-S759 WeakPolarHBondContact O-CB 3.34Å; L755-S759 PolarHBondContact O-N 2.87Å; Q756-S759 PolarHBondContact O-N 2.72Å; S759-G762 PolarHBondContact O-N 3.42Å; S759-S763 PolarHBondContact O-N 3.39Å; S759-S763 PolarHBondContact O-OG 2.94Å |
| 760 | Q | 94.3 | Very high | 94.4 | Very high | 100 Ų | 100 | 90.9 Ų | 90.9 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 177 | -74.3 | 178.7 | -7.4 | 0 | 0 | 112.2 | Q756 L757 G762 S763 A764 | Q756-Q760 WeakPolarHBondContact O-CG 3.26Å; Q756-Q760 PolarHBondContact O-N 2.88Å; L757-Q760 PolarHBondContact O-N 3.2Å; Q760-G762 VanDerWaalsContact C-N 3.33Å; Q760-S763 WeakPolarHBondContact CA-OG 3.49Å; Q760-S763 PolarHBondContact O-N 3.2Å; Q760-S763 PolarHBondContact O-OG 3.37Å; Q760-A764 VanDerWaalsContact O-CB 3.28Å; Q760-A764 WeakPolarHBondContact O-CB 2.79Å; Q760-A764 PolarHBondContact O-N 2.96Å |
| 761 | L | 94.9 | Very high | 94.5 | Very high | 128 Ų | 128 | 91.1 Ų | 91.1 | 67% | 0.67 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -40.3 | 175.1 | -174.5 | 64.4 | 0 | 0 | 0 | 111.1 | L757 Q758 H765 | L757-L761 WeakPolarHBondContact O-CB 3.49Å; L757-L761 PolarHBondContact O-N 3.37Å; Q758-L761 PolarHBondContact O-N 3.22Å; L761-H765 WeakPolarHBondContact O-CB 3.35Å; L761-H765 PolarHBondContact O-N 2.78Å |
| 762 | G | 95.5 | Very high | 94.6 | Very high | 34 Ų | 34 | 91.8 Ų | 91.8 | 35% | 0.351 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -50.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q758 S759 Q760 A764 H765 D766 | Q758-G762 PolarHBondContact O-N 3.38Å; S759-G762 PolarHBondContact O-N 3.42Å; Q760-G762 VanDerWaalsContact C-N 3.33Å; G762-A764 PolarHBondContact O-N 3.5Å; G762-H765 WeakPolarHBondContact O-CB 3.37Å; G762-H765 PolarHBondContact O-N 3Å; G762-D766 PolarHBondContact O-N 3.5Å |
| 763 | S | 93.8 | Very high | 94.5 | Very high | 59 Ų | 59 | 96.7 Ų | 96.7 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 178.8 | 61.3 | 0 | 0 | 0 | 0 | 112.3 | S759 Q760 H765 D766 E767 | S759-S763 PolarHBondContact O-N 3.39Å; S759-S763 PolarHBondContact O-OG 2.94Å; Q760-S763 WeakPolarHBondContact CA-OG 3.49Å; Q760-S763 PolarHBondContact O-N 3.2Å; Q760-S763 PolarHBondContact O-OG 3.37Å; S763-H765 VanDerWaalsContact C-N 3.3Å; S763-H765 PolarHBondContact O-N 3.41Å; S763-D766 PolarHBondContact O-N 3.39Å; S763-E767 WeakPolarHBondContact O-CG 3.37Å; S763-E767 PolarHBondContact O-N 2.97Å |
| 764 | A | 93.4 | Very high | 94.4 | Very high | 49 Ų | 49 | 96.5 Ų | 96.5 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -37.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q760 G762 E767 L768 | Q760-A764 VanDerWaalsContact O-CB 3.28Å; Q760-A764 WeakPolarHBondContact O-CB 2.79Å; Q760-A764 PolarHBondContact O-N 2.96Å; G762-A764 PolarHBondContact O-N 3.5Å; A764-E767 PolarHBondContact O-N 3.16Å; A764-L768 WeakPolarHBondContact O-CB 3.47Å; A764-L768 PolarHBondContact O-N 3.27Å |
| 765 | H | 94.3 | Very high | 94.3 | Very high | 109 Ų | 109 | 98.3 Ų | 98.3 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 175.8 | -164 | 79 | 0 | 0 | 0 | 112.2 | L761 G762 S763 L768 H769 | L761-H765 WeakPolarHBondContact O-CB 3.35Å; L761-H765 PolarHBondContact O-N 2.78Å; G762-H765 WeakPolarHBondContact O-CB 3.37Å; G762-H765 PolarHBondContact O-N 3Å; S763-H765 VanDerWaalsContact C-N 3.3Å; S763-H765 PolarHBondContact O-N 3.41Å; H765-L768 PolarHBondContact O-N 2.93Å; H765-H769 WeakPolarHBondContact O-CB 3.46Å; H765-H769 PolarHBondContact O-N 2.86Å |
| 766 | D | 94.8 | Very high | 94.1 | Very high | 101 Ų | 101 | 101 Ų | 101 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 176.3 | -77.1 | -22.4 | 0 | 0 | 0 | 112.2 | G762 S763 H769 K770 | G762-D766 PolarHBondContact O-N 3.5Å; S763-D766 PolarHBondContact O-N 3.39Å; D766-H769 PolarHBondContact O-N 3.35Å; D766-K770 WeakPolarHBondContact O-CG 3.43Å; D766-K770 PolarHBondContact O-N 3.35Å |
| 767 | E | 95.1 | Very high | 93.9 | Very high | 121 Ų | 121 | 99.9 Ų | 99.9 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 173.9 | -74.3 | -178.2 | 178.8 | 0 | 0 | 111.7 | S763 A764 H769 K770 I771 | S763-E767 WeakPolarHBondContact O-CG 3.37Å; S763-E767 PolarHBondContact O-N 2.97Å; A764-E767 PolarHBondContact O-N 3.16Å; E767-H769 VanDerWaalsContact C-N 3.26Å; E767-H769 PolarHBondContact O-N 2.95Å; E767-K770 WeakPolarHBondContact O-CB 3.43Å; E767-K770 PolarHBondContact O-N 3.29Å; E767-K770 VanDerWaalsContact O-N 3.09Å; E767-I771 WeakPolarHBondContact O-CG1 3.39Å; E767-I771 PolarHBondContact O-N 3.28Å |
| 768 | L | 94.3 | Very high | 93.6 | Very high | 72 Ų | 72 | 100 Ų | 100 | 38% | 0.377 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.2 | -41.3 | 175.5 | -157.5 | 174.2 | 0 | 0 | 0 | 110.5 | A764 H765 I771 R772 | A764-L768 WeakPolarHBondContact O-CB 3.47Å; A764-L768 PolarHBondContact O-N 3.27Å; H765-L768 PolarHBondContact O-N 2.93Å; L768-I771 PolarHBondContact O-N 3.43Å; L768-R772 HydrophobicContact CD2-CG 3.83Å; L768-R772 WeakPolarHBondContact O-CB 3.37Å; L768-R772 WeakPolarHBondContact O-CG 3.37Å; L768-R772 PolarHBondContact O-N 3.46Å |
| 769 | H | 93.9 | Very high | 93.3 | Very high | 61 Ų | 61 | 102 Ų | 102 | 28% | 0.282 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 176.2 | -163.3 | -54.1 | 0 | 0 | 0 | 112.3 | H765 D766 E767 R772 R773 | H765-H769 WeakPolarHBondContact O-CB 3.46Å; H765-H769 PolarHBondContact O-N 2.86Å; D766-H769 PolarHBondContact O-N 3.35Å; E767-H769 VanDerWaalsContact C-N 3.26Å; E767-H769 PolarHBondContact O-N 2.95Å; H769-R772 PolarHBondContact O-N 2.94Å; H769-R773 PolarHBondContact CE1-NE 3.32Å; H769-R773 PolarHBondContact CE1-NH2 3.16Å; H769-R773 PolarHBondContact ND1-NE 3.31Å; H769-R773 PolarHBondContact ND1-NH1 2.92Å; H769-R773 PolarHBondContact ND1-NH2 3.47Å; H769-R773 WeakPolarHBondContact O-CG 3.36Å; H769-R773 PolarHBondContact O-N 2.96Å |
| 770 | K | 95 | Very high | 92.9 | Very high | 133 Ų | 133 | 101.1 Ų | 101.1 | 58% | 0.578 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -49.1 | 172.9 | -73.6 | 170.9 | -174.4 | 171.3 | 0 | 110.8 | D766 E767 R772 R773 S774 | D766-K770 WeakPolarHBondContact O-CG 3.43Å; D766-K770 PolarHBondContact O-N 3.35Å; E767-K770 WeakPolarHBondContact O-CB 3.43Å; E767-K770 PolarHBondContact O-N 3.29Å; E767-K770 VanDerWaalsContact O-N 3.09Å; K770-R772 VanDerWaalsContact C-N 3.34Å; K770-R772 PolarHBondContact O-N 2.9Å; K770-R773 WeakPolarHBondContact O-CB 3.4Å; K770-R773 PolarHBondContact O-N 2.99Å; K770-S774 PolarHBondContact O-N 3.48Å; K770-S774 PolarHBondContact O-OG 3.37Å |
| 771 | I | 94.4 | Very high | 92.5 | Very high | 115 Ų | 115 | 99.1 Ų | 99.1 | 59% | 0.59 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.4 | -45.4 | 177.7 | -66.1 | 167.5 | 0 | 0 | 0 | 110.8 | E767 L768 R773 S774 L775 | E767-I771 WeakPolarHBondContact O-CG1 3.39Å; E767-I771 PolarHBondContact O-N 3.28Å; L768-I771 PolarHBondContact O-N 3.43Å; I771-R773 VanDerWaalsContact C-N 3.31Å; I771-R773 PolarHBondContact O-N 2.89Å; I771-S774 PolarHBondContact O-N 2.92Å; I771-L775 WeakPolarHBondContact O-CB 3.45Å; I771-L775 PolarHBondContact O-N 3.32Å |
| 772 | R | 96.1 | Very high | 92.2 | Very high | 139 Ų | 139 | 97.8 Ų | 97.8 | 53% | 0.525 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -32.1 | 176.1 | -80.2 | 178.2 | 179.5 | 156.5 | 4.8 | 113.7 | L768 H769 K770 R776 | L768-R772 HydrophobicContact CD2-CG 3.83Å; L768-R772 WeakPolarHBondContact O-CB 3.37Å; L768-R772 WeakPolarHBondContact O-CG 3.37Å; L768-R772 PolarHBondContact O-N 3.46Å; H769-R772 PolarHBondContact O-N 2.94Å; K770-R772 VanDerWaalsContact C-N 3.34Å; K770-R772 PolarHBondContact O-N 2.9Å; R772-R776 WeakPolarHBondContact O-CG 3.39Å; R772-R776 PolarHBondContact O-N 3.38Å; R772-R776 PolarHBondContact O-NE 3.27Å |
| 773 | R | 92.5 | Very high | 92 | Very high | 142 Ų | 142 | 98.1 Ų | 98.1 | 54% | 0.536 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.3 | -48.7 | 173.2 | -75.4 | -176.2 | -173.1 | 119.6 | 1.3 | 110.1 | H769 K770 I771 L775 R776 T777 | H769-R773 PolarHBondContact CE1-NE 3.32Å; H769-R773 PolarHBondContact CE1-NH2 3.16Å; H769-R773 PolarHBondContact ND1-NE 3.31Å; H769-R773 PolarHBondContact ND1-NH1 2.92Å; H769-R773 PolarHBondContact ND1-NH2 3.47Å; H769-R773 WeakPolarHBondContact O-CG 3.36Å; H769-R773 PolarHBondContact O-N 2.96Å; K770-R773 WeakPolarHBondContact O-CB 3.4Å; K770-R773 PolarHBondContact O-N 2.99Å; I771-R773 VanDerWaalsContact C-N 3.31Å; I771-R773 PolarHBondContact O-N 2.89Å; R773-L775 VanDerWaalsContact C-N 3.32Å; R773-L775 PolarHBondContact O-N 2.93Å; R773-R776 PolarHBondContact O-N 3.04Å; R773-R776 VanDerWaalsContact O-N 3.13Å; R773-T777 PolarHBondContact O-N 3.38Å; R773-T777 PolarHBondContact O-OG1 2.85Å |
| 774 | S | 92.1 | Very high | 91.8 | Very high | 74 Ų | 74 | 101.6 Ų | 101.6 | 52% | 0.517 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -38.9 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | K770 I771 R776 T777 L778 | K770-S774 PolarHBondContact O-N 3.48Å; K770-S774 PolarHBondContact O-OG 3.37Å; I771-S774 PolarHBondContact O-N 2.92Å; S774-R776 VanDerWaalsContact C-N 3.34Å; S774-R776 PolarHBondContact O-N 3.36Å; S774-T777 WeakPolarHBondContact CA-OG1 3.24Å; S774-T777 PolarHBondContact O-N 3.31Å; S774-T777 PolarHBondContact O-OG1 2.9Å; S774-L778 WeakPolarHBondContact O-CB 3.47Å; S774-L778 PolarHBondContact O-N 3.39Å |
| 775 | L | 92.3 | Very high | 91.8 | Very high | 111 Ų | 111 | 101.1 Ų | 101.1 | 58% | 0.581 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.8 | -37 | 176.3 | -174.2 | 65.9 | 0 | 0 | 0 | 112.1 | I771 R773 L778 K779 | I771-L775 WeakPolarHBondContact O-CB 3.45Å; I771-L775 PolarHBondContact O-N 3.32Å; R773-L775 VanDerWaalsContact C-N 3.32Å; R773-L775 PolarHBondContact O-N 2.93Å; L775-L778 PolarHBondContact O-N 3.44Å; L775-K779 VanDerWaalsContact O-CB 3.31Å; L775-K779 WeakPolarHBondContact O-CB 3.38Å; L775-K779 PolarHBondContact O-N 3.33Å |
| 776 | R | 91.8 | Very high | 91.7 | Very high | 156 Ų | 156 | 101.2 Ų | 101.2 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.9 | -41.3 | 175.1 | -79.2 | -176.6 | -75 | -168.7 | -2.3 | 111.9 | R772 R773 S774 A780 | R772-R776 WeakPolarHBondContact O-CG 3.39Å; R772-R776 PolarHBondContact O-N 3.38Å; R772-R776 PolarHBondContact O-NE 3.27Å; R773-R776 PolarHBondContact O-N 3.04Å; R773-R776 VanDerWaalsContact O-N 3.13Å; S774-R776 VanDerWaalsContact C-N 3.34Å; S774-R776 PolarHBondContact O-N 3.36Å; R776-A780 WeakPolarHBondContact O-CB 3.33Å; R776-A780 PolarHBondContact O-N 2.9Å |
| 777 | T | 90.3 | Very high | 91.7 | Very high | 94 Ų | 94 | 100.5 Ų | 100.5 | 58% | 0.577 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.6 | -39.7 | 176.1 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | R773 S774 A780 A781 | R773-T777 PolarHBondContact O-N 3.38Å; R773-T777 PolarHBondContact O-OG1 2.85Å; S774-T777 WeakPolarHBondContact CA-OG1 3.24Å; S774-T777 PolarHBondContact O-N 3.31Å; S774-T777 PolarHBondContact O-OG1 2.9Å; T777-A780 PolarHBondContact O-N 2.95Å; T777-A781 WeakPolarHBondContact O-CB 3.44Å; T777-A781 PolarHBondContact O-N 3.33Å |
| 778 | L | 88.8 | Confident | 91.7 | Very high | 98 Ų | 98 | 97.8 Ų | 97.8 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -49.3 | 175.8 | -175.3 | 64 | 0 | 0 | 0 | 111.2 | S774 L775 A780 A781 D782 | S774-L778 WeakPolarHBondContact O-CB 3.47Å; S774-L778 PolarHBondContact O-N 3.39Å; L775-L778 PolarHBondContact O-N 3.44Å; L778-A780 VanDerWaalsContact C-N 3.25Å; L778-A780 PolarHBondContact O-N 2.9Å; L778-A781 CarbonylContact O-C 3.58Å; L778-A781 WeakPolarHBondContact O-CA 3.47Å; L778-A781 WeakPolarHBondContact O-CB 3.41Å; L778-A781 PolarHBondContact O-N 3.35Å; L778-D782 PolarHBondContact O-N 3.34Å |
| 779 | K | 86.6 | Confident | 91.6 | Very high | 161 Ų | 161 | 96.9 Ų | 96.9 | 70% | 0.7 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.6 | -35.1 | 176.7 | -172.3 | 175.8 | -177.1 | 176.5 | 0 | 112.9 | L775 G783 | L775-K779 VanDerWaalsContact O-CB 3.31Å; L775-K779 WeakPolarHBondContact O-CB 3.38Å; L775-K779 PolarHBondContact O-N 3.33Å; K779-G783 PolarHBondContact O-N 3.18Å |
| 780 | A | 86.6 | Confident | 91.7 | Very high | 66 Ų | 66 | 98 Ų | 98 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | R776 T777 L778 G783 H784 | R776-A780 WeakPolarHBondContact O-CB 3.33Å; R776-A780 PolarHBondContact O-N 2.9Å; T777-A780 PolarHBondContact O-N 2.95Å; L778-A780 VanDerWaalsContact C-N 3.25Å; L778-A780 PolarHBondContact O-N 2.9Å; A780-G783 PolarHBondContact O-N 3.05Å; A780-H784 PolarHBondContact O-N 3.04Å |
| 781 | A | 86.6 | Confident | 91.6 | Very high | 58 Ų | 58 | 95.1 Ų | 95.1 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T777 L778 G783 H784 G785 | T777-A781 WeakPolarHBondContact O-CB 3.44Å; T777-A781 PolarHBondContact O-N 3.33Å; L778-A781 CarbonylContact O-C 3.58Å; L778-A781 WeakPolarHBondContact O-CA 3.47Å; L778-A781 WeakPolarHBondContact O-CB 3.41Å; L778-A781 PolarHBondContact O-N 3.35Å; A781-G783 VanDerWaalsContact C-N 3.34Å; A781-G783 PolarHBondContact O-N 2.97Å; A781-H784 PolarHBondContact O-N 3.43Å; A781-G785 PolarHBondContact O-N 3.35Å |
| 782 | D | 88.8 | Confident | 91.7 | Very high | 100 Ų | 100 | 94.9 Ų | 94.9 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 175.2 | -67.8 | -17.2 | 0 | 0 | 0 | 111.4 | L778 G785 L786 | L778-D782 PolarHBondContact O-N 3.34Å; D782-G785 PolarHBondContact O-N 3.38Å; D782-L786 VanDerWaalsContact O-CB 3.3Å; D782-L786 WeakPolarHBondContact O-CB 3.35Å; D782-L786 PolarHBondContact O-N 3.5Å |
| 783 | G | 90.1 | Very high | 91.7 | Very high | 41 Ų | 41 | 92.7 Ų | 92.7 | 42% | 0.423 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K779 A780 A781 Q787 | K779-G783 PolarHBondContact O-N 3.18Å; A780-G783 PolarHBondContact O-N 3.05Å; A781-G783 VanDerWaalsContact C-N 3.34Å; A781-G783 PolarHBondContact O-N 2.97Å; G783-Q787 WeakPolarHBondContact O-CB 3.26Å; G783-Q787 PolarHBondContact O-N 2.9Å |
| 784 | H | 91.3 | Very high | 91.9 | Very high | 132 Ų | 132 | 92 Ų | 92 | 61% | 0.611 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.5 | -43.8 | 175 | -175.1 | 58.4 | 0 | 0 | 0 | 111.9 | A780 A781 L786 Q787 V788 | A780-H784 PolarHBondContact O-N 3.04Å; A781-H784 PolarHBondContact O-N 3.43Å; H784-L786 VanDerWaalsContact C-N 3.35Å; H784-L786 PolarHBondContact O-N 2.95Å; H784-Q787 PolarHBondContact O-N 2.93Å; H784-V788 WeakPolarHBondContact O-CG2 3.36Å; H784-V788 PolarHBondContact O-N 3.29Å |
| 785 | G | 92.9 | Very high | 92 | Very high | 40 Ų | 40 | 93.5 Ų | 93.5 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A781 D782 V788 A789 | A781-G785 PolarHBondContact O-N 3.35Å; D782-G785 PolarHBondContact O-N 3.38Å; G785-V788 PolarHBondContact O-N 2.9Å; G785-A789 WeakPolarHBondContact O-CB 3.41Å; G785-A789 PolarHBondContact O-N 3.28Å |
| 786 | L | 92.3 | Very high | 92.1 | Very high | 110 Ų | 110 | 91.5 Ų | 91.5 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 174.1 | -177.5 | 63.4 | 0 | 0 | 0 | 111.7 | D782 H784 A789 L790 | D782-L786 VanDerWaalsContact O-CB 3.3Å; D782-L786 WeakPolarHBondContact O-CB 3.35Å; D782-L786 PolarHBondContact O-N 3.5Å; H784-L786 VanDerWaalsContact C-N 3.35Å; H784-L786 PolarHBondContact O-N 2.95Å; L786-A789 PolarHBondContact O-N 2.94Å; L786-L790 HydrophobicContact CG-CD1 4.25Å; L786-L790 WeakPolarHBondContact O-CB 3.39Å; L786-L790 VanDerWaalsContact O-CG 3.29Å; L786-L790 WeakPolarHBondContact O-CG 3.47Å; L786-L790 PolarHBondContact O-N 3.41Å |
| 787 | Q | 94.4 | Very high | 92.3 | Very high | 87 Ų | 87 | 86.7 Ų | 86.7 | 41% | 0.407 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 178.3 | -174.5 | 59 | 47.6 | 0 | 0 | 111.8 | G783 H784 A789 L790 D791 | G783-Q787 WeakPolarHBondContact O-CB 3.26Å; G783-Q787 PolarHBondContact O-N 2.9Å; H784-Q787 PolarHBondContact O-N 2.93Å; Q787-A789 VanDerWaalsContact C-N 3.34Å; Q787-A789 PolarHBondContact O-N 2.63Å; Q787-L790 PolarHBondContact O-N 3.4Å; Q787-D791 VanDerWaalsContact NE2-CG 3.33Å; Q787-D791 PolarHBondContact NE2-OD1 2.93Å; Q787-D791 PolarHBondContact NE2-OD2 2.74Å; Q787-D791 PolarHBondContact O-N 3.21Å |
| 788 | V | 95.1 | Very high | 92.5 | Very high | 63 Ų | 63 | 84.2 Ų | 84.2 | 38% | 0.382 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | H784 G785 L790 D791 M792 | H784-V788 WeakPolarHBondContact O-CG2 3.36Å; H784-V788 PolarHBondContact O-N 3.29Å; G785-V788 PolarHBondContact O-N 2.9Å; V788-L790 VanDerWaalsContact C-N 3.34Å; V788-L790 PolarHBondContact O-N 3.31Å; V788-D791 PolarHBondContact O-N 3.23Å; V788-M792 HydrophobicContact CG1-CG 4.38Å; V788-M792 HydrophobicContact CG1-SD 4.03Å; V788-M792 WeakPolarHBondContact O-CB 3.43Å; V788-M792 VanDerWaalsContact O-CG 3.3Å; V788-M792 WeakPolarHBondContact O-CG 3.47Å; V788-M792 PolarHBondContact O-N 3Å |
| 789 | A | 92.5 | Very high | 92.9 | Very high | 53 Ų | 53 | 85 Ų | 85 | 44% | 0.438 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G785 L786 Q787 Q793 | G785-A789 WeakPolarHBondContact O-CB 3.41Å; G785-A789 PolarHBondContact O-N 3.28Å; L786-A789 PolarHBondContact O-N 2.94Å; Q787-A789 VanDerWaalsContact C-N 3.34Å; Q787-A789 PolarHBondContact O-N 2.63Å; A789-Q793 WeakPolarHBondContact O-CB 3.38Å; A789-Q793 PolarHBondContact O-N 3.33Å |
| 790 | L | 94.7 | Very high | 93.3 | Very high | 86 Ų | 86 | 84.5 Ų | 84.5 | 45% | 0.45 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 175.5 | -74 | 173 | 0 | 0 | 0 | 112.2 | L786 Q787 V788 Q793 K794 | L786-L790 HydrophobicContact CG-CD1 4.25Å; L786-L790 WeakPolarHBondContact O-CB 3.39Å; L786-L790 VanDerWaalsContact O-CG 3.29Å; L786-L790 WeakPolarHBondContact O-CG 3.47Å; L786-L790 PolarHBondContact O-N 3.41Å; Q787-L790 PolarHBondContact O-N 3.4Å; V788-L790 VanDerWaalsContact C-N 3.34Å; V788-L790 PolarHBondContact O-N 3.31Å; L790-Q793 PolarHBondContact O-N 2.8Å; L790-K794 WeakPolarHBondContact O-CG 3.49Å; L790-K794 PolarHBondContact O-N 2.88Å |
| 791 | D | 93.9 | Very high | 93.8 | Very high | 72 Ų | 72 | 87.2 Ų | 87.2 | 39% | 0.385 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.7 | -37.9 | 179.3 | -68.1 | -29.4 | 0 | 0 | 0 | 111.6 | Q787 V788 K794 E795 | Q787-D791 VanDerWaalsContact NE2-CG 3.33Å; Q787-D791 PolarHBondContact NE2-OD1 2.93Å; Q787-D791 PolarHBondContact NE2-OD2 2.74Å; Q787-D791 PolarHBondContact O-N 3.21Å; V788-D791 PolarHBondContact O-N 3.23Å; D791-K794 PolarHBondContact O-N 2.97Å; D791-K794 IonicContact OD1-NZ 2.72Å; D791-K794 PolarHBondContact OD1-NZ 3.18Å; D791-E795 PolarHBondContact O-N 3.47Å |
| 792 | M | 96.8 | Very high | 94.2 | Very high | 109 Ų | 109 | 91.3 Ų | 91.3 | 54% | 0.537 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 168.3 | -73.4 | 178.6 | 66.3 | 0 | 0 | 111.7 | V788 K794 E795 I796 | V788-M792 HydrophobicContact CG1-CG 4.38Å; V788-M792 HydrophobicContact CG1-SD 4.03Å; V788-M792 WeakPolarHBondContact O-CB 3.43Å; V788-M792 VanDerWaalsContact O-CG 3.3Å; V788-M792 WeakPolarHBondContact O-CG 3.47Å; V788-M792 PolarHBondContact O-N 3Å; M792-K794 VanDerWaalsContact C-N 3.32Å; M792-K794 PolarHBondContact O-N 2.93Å; M792-E795 PolarHBondContact O-N 2.99Å; M792-I796 VanDerWaalsContact O-CG1 3.3Å; M792-I796 WeakPolarHBondContact O-CG1 3.45Å; M792-I796 PolarHBondContact O-N 2.89Å |
| 793 | Q | 95.3 | Very high | 94.6 | Very high | 94 Ų | 94 | 90.9 Ų | 90.9 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 177.3 | -176.1 | 60.6 | 42.5 | 0 | 0 | 111.6 | A789 L790 I796 T797 | A789-Q793 WeakPolarHBondContact O-CB 3.38Å; A789-Q793 PolarHBondContact O-N 3.33Å; L790-Q793 PolarHBondContact O-N 2.8Å; Q793-I796 PolarHBondContact O-N 2.9Å; Q793-T797 PolarHBondContact O-N 2.94Å; Q793-T797 PolarHBondContact O-OG1 3.42Å |
| 794 | K | 96.1 | Very high | 94.9 | Very high | 126 Ų | 126 | 93.1 Ų | 93.1 | 55% | 0.548 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 173.6 | -69.7 | 170.9 | -164.8 | 157.4 | 0 | 111.7 | L790 D791 M792 I796 T797 A798 | L790-K794 WeakPolarHBondContact O-CG 3.49Å; L790-K794 PolarHBondContact O-N 2.88Å; D791-K794 PolarHBondContact O-N 2.97Å; D791-K794 IonicContact OD1-NZ 2.72Å; D791-K794 PolarHBondContact OD1-NZ 3.18Å; M792-K794 VanDerWaalsContact C-N 3.32Å; M792-K794 PolarHBondContact O-N 2.93Å; K794-I796 VanDerWaalsContact C-N 3.35Å; K794-T797 PolarHBondContact O-N 2.84Å; K794-A798 WeakPolarHBondContact O-CB 3.39Å; K794-A798 PolarHBondContact O-N 3.08Å |
| 795 | E | 96.1 | Very high | 95.2 | Very high | 106 Ų | 106 | 89.9 Ų | 89.9 | 50% | 0.495 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 177.7 | -166.2 | -171 | 155.9 | 0 | 0 | 111.5 | D791 M792 A798 K799 | D791-E795 PolarHBondContact O-N 3.47Å; M792-E795 PolarHBondContact O-N 2.99Å; E795-A798 PolarHBondContact O-N 3.08Å; E795-K799 WeakPolarHBondContact O-CB 3.49Å; E795-K799 WeakPolarHBondContact O-CG 3.48Å; E795-K799 PolarHBondContact O-N 3.48Å; E795-K799 WeakPolarHBondContact OE1-CE 3.35Å; E795-K799 IonicContact OE1-NZ 2.96Å; E795-K799 PolarHBondContact OE1-NZ 3.46Å |
| 796 | I | 93.8 | Very high | 95.4 | Very high | 69 Ų | 69 | 94 Ų | 94 | 35% | 0.354 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 174.6 | -69.8 | 166.7 | 0 | 0 | 0 | 110.3 | M792 Q793 K794 K799 R800 | M792-I796 VanDerWaalsContact O-CG1 3.3Å; M792-I796 WeakPolarHBondContact O-CG1 3.45Å; M792-I796 PolarHBondContact O-N 2.89Å; Q793-I796 PolarHBondContact O-N 2.9Å; K794-I796 VanDerWaalsContact C-N 3.35Å; I796-K799 PolarHBondContact O-N 3.28Å; I796-R800 WeakPolarHBondContact O-CG 3.44Å; I796-R800 PolarHBondContact O-N 3.32Å |
| 797 | T | 94.8 | Very high | 95.6 | Very high | 56 Ų | 56 | 93.7 Ų | 93.7 | 34% | 0.344 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | Q793 K794 K799 R800 E801 | Q793-T797 PolarHBondContact O-N 2.94Å; Q793-T797 PolarHBondContact O-OG1 3.42Å; K794-T797 PolarHBondContact O-N 2.84Å; T797-K799 VanDerWaalsContact C-N 3.32Å; T797-K799 PolarHBondContact O-N 3.29Å; T797-R800 WeakPolarHBondContact O-CB 3.34Å; T797-R800 PolarHBondContact O-N 3.48Å; T797-R800 VanDerWaalsContact O-N 3.13Å; T797-E801 WeakPolarHBondContact O-CG 3.48Å; T797-E801 PolarHBondContact O-N 2.91Å |
| 798 | A | 95.3 | Very high | 95.8 | Very high | 42 Ų | 42 | 93 Ų | 93 | 35% | 0.347 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -35.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K794 E795 K802 | K794-A798 WeakPolarHBondContact O-CB 3.39Å; K794-A798 PolarHBondContact O-N 3.08Å; E795-A798 PolarHBondContact O-N 3.08Å; A798-K802 WeakPolarHBondContact O-CG 3.46Å; A798-K802 PolarHBondContact O-N 3.48Å |
| 799 | K | 96.8 | Very high | 95.9 | Very high | 115 Ų | 115 | 98.6 Ų | 98.6 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 173 | -76.7 | -180 | -176.8 | 166.7 | 0 | 111.7 | E795 I796 T797 K802 I803 | E795-K799 WeakPolarHBondContact O-CB 3.49Å; E795-K799 WeakPolarHBondContact O-CG 3.48Å; E795-K799 PolarHBondContact O-N 3.48Å; E795-K799 WeakPolarHBondContact OE1-CE 3.35Å; E795-K799 IonicContact OE1-NZ 2.96Å; E795-K799 PolarHBondContact OE1-NZ 3.46Å; I796-K799 PolarHBondContact O-N 3.28Å; T797-K799 VanDerWaalsContact C-N 3.32Å; T797-K799 PolarHBondContact O-N 3.29Å; K799-K802 PolarHBondContact O-N 3.01Å; K799-I803 WeakPolarHBondContact O-CG1 3.21Å; K799-I803 PolarHBondContact O-N 3.5Å |
| 800 | R | 95.6 | Very high | 96.1 | Very high | 149 Ų | 149 | 100.3 Ų | 100.3 | 56% | 0.562 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.7 | -46.7 | 174.7 | -74.1 | 174.4 | -179 | -179.8 | 0.5 | 111.4 | I796 T797 K802 I803 D804 | I796-R800 WeakPolarHBondContact O-CG 3.44Å; I796-R800 PolarHBondContact O-N 3.32Å; T797-R800 WeakPolarHBondContact O-CB 3.34Å; T797-R800 PolarHBondContact O-N 3.48Å; T797-R800 VanDerWaalsContact O-N 3.13Å; R800-K802 VanDerWaalsContact C-N 3.28Å; R800-K802 PolarHBondContact O-N 3.29Å; R800-I803 WeakPolarHBondContact O-CA 3.36Å; R800-I803 WeakPolarHBondContact O-CB 3.4Å; R800-I803 PolarHBondContact O-N 3.36Å; R800-D804 VanDerWaalsContact O-CG 3.28Å; R800-D804 PolarHBondContact O-N 2.99Å |
| 801 | E | 96.1 | Very high | 96.2 | Very high | 124 Ų | 124 | 101.6 Ų | 101.6 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -58.3 | -39.2 | 175.8 | -70.2 | 170.9 | -174.6 | 0 | 0 | 112.6 | T797 D804 A805 | T797-E801 WeakPolarHBondContact O-CG 3.48Å; T797-E801 PolarHBondContact O-N 2.91Å; E801-D804 PolarHBondContact O-N 2.88Å; E801-A805 WeakPolarHBondContact O-CB 3.43Å; E801-A805 PolarHBondContact O-N 2.94Å |
| 802 | K | 96.6 | Very high | 96.3 | Very high | 144 Ų | 144 | 103.6 Ų | 103.6 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.3 | -40.1 | 173.8 | -73.9 | 177.7 | -177.8 | 178.6 | 0 | 112.3 | A798 K799 R800 A805 M806 | A798-K802 WeakPolarHBondContact O-CG 3.46Å; A798-K802 PolarHBondContact O-N 3.48Å; K799-K802 PolarHBondContact O-N 3.01Å; R800-K802 VanDerWaalsContact C-N 3.28Å; R800-K802 PolarHBondContact O-N 3.29Å; K802-A805 PolarHBondContact O-N 3.33Å; K802-M806 WeakPolarHBondContact O-CG 3.48Å; K802-M806 PolarHBondContact O-N 3.09Å |
| 803 | I | 96.9 | Very high | 96.4 | Very high | 90 Ų | 90 | 102.6 Ų | 102.6 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 176.1 | -71 | 166.1 | 0 | 0 | 0 | 109.8 | K799 R800 A805 M806 Q807 | K799-I803 WeakPolarHBondContact O-CG1 3.21Å; K799-I803 PolarHBondContact O-N 3.5Å; R800-I803 WeakPolarHBondContact O-CA 3.36Å; R800-I803 WeakPolarHBondContact O-CB 3.4Å; R800-I803 PolarHBondContact O-N 3.36Å; I803-A805 VanDerWaalsContact C-N 3.34Å; I803-A805 PolarHBondContact O-N 2.94Å; I803-M806 CarbonylContact O-C 3.57Å; I803-M806 WeakPolarHBondContact O-CB 3.36Å; I803-M806 PolarHBondContact O-N 3.38Å; I803-M806 VanDerWaalsContact O-N 3.12Å; I803-Q807 HydrophobicContact CG2-CG 4.29Å; I803-Q807 WeakPolarHBondContact O-CG 3.43Å; I803-Q807 PolarHBondContact O-N 3.22Å |
| 804 | D | 96.9 | Very high | 96.5 | Very high | 89 Ų | 89 | 103.8 Ų | 103.8 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 178.8 | -62.2 | -21.5 | 0 | 0 | 0 | 110.9 | R800 E801 M806 Q807 S808 | R800-D804 VanDerWaalsContact O-CG 3.28Å; R800-D804 PolarHBondContact O-N 2.99Å; E801-D804 PolarHBondContact O-N 2.88Å; D804-M806 VanDerWaalsContact C-N 3.34Å; D804-M806 PolarHBondContact O-N 3.43Å; D804-Q807 PolarHBondContact O-N 3.49Å; D804-S808 PolarHBondContact O-N 3.29Å; D804-S808 PolarHBondContact O-OG 3.46Å |
| 805 | A | 96.4 | Very high | 96.6 | Very high | 63 Ų | 63 | 102.7 Ų | 102.7 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E801 K802 I803 R809 | E801-A805 WeakPolarHBondContact O-CB 3.43Å; E801-A805 PolarHBondContact O-N 2.94Å; K802-A805 PolarHBondContact O-N 3.33Å; I803-A805 VanDerWaalsContact C-N 3.34Å; I803-A805 PolarHBondContact O-N 2.94Å; A805-R809 PolarHBondContact O-N 2.92Å; A805-R809 VanDerWaalsContact O-N 3.11Å |
| 806 | M | 97.6 | Very high | 96.6 | Very high | 128 Ų | 128 | 103.2 Ų | 103.2 | 63% | 0.631 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.9 | -41.1 | 174.3 | -74.5 | -173.9 | -175.2 | 0 | 0 | 111.8 | K802 I803 D804 R809 I810 | K802-M806 WeakPolarHBondContact O-CG 3.48Å; K802-M806 PolarHBondContact O-N 3.09Å; I803-M806 CarbonylContact O-C 3.57Å; I803-M806 WeakPolarHBondContact O-CB 3.36Å; I803-M806 PolarHBondContact O-N 3.38Å; I803-M806 VanDerWaalsContact O-N 3.12Å; D804-M806 VanDerWaalsContact C-N 3.34Å; D804-M806 PolarHBondContact O-N 3.43Å; M806-R809 PolarHBondContact O-N 2.95Å; M806-I810 VanDerWaalsContact O-CG1 3.32Å; M806-I810 WeakPolarHBondContact O-CG1 3.43Å; M806-I810 PolarHBondContact O-N 3.49Å |
| 807 | Q | 97.1 | Very high | 96.8 | Very high | 103 Ų | 103 | 104 Ų | 104 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 176.8 | -75.3 | 176.1 | -7 | 0 | 0 | 111.5 | I803 D804 R809 I810 Q811 | I803-Q807 HydrophobicContact CG2-CG 4.29Å; I803-Q807 WeakPolarHBondContact O-CG 3.43Å; I803-Q807 PolarHBondContact O-N 3.22Å; D804-Q807 PolarHBondContact O-N 3.49Å; Q807-R809 VanDerWaalsContact C-N 3.29Å; Q807-R809 PolarHBondContact O-N 3.29Å; Q807-I810 PolarHBondContact O-N 3.28Å; Q807-Q811 WeakPolarHBondContact O-CG 3.38Å; Q807-Q811 PolarHBondContact O-N 2.85Å |
| 808 | S | 96.7 | Very high | 96.9 | Very high | 72 Ų | 72 | 107.3 Ų | 107.3 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 173.8 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | D804 Q811 H812 | D804-S808 PolarHBondContact O-N 3.29Å; D804-S808 PolarHBondContact O-OG 3.46Å; S808-Q811 PolarHBondContact O-N 3.23Å; S808-H812 PolarHBondContact O-N 2.94Å |
| 809 | R | 97.9 | Very high | 97 | Very high | 181 Ų | 181 | 111.7 Ų | 111.7 | 68% | 0.683 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.9 | -38.4 | 175.3 | 178.8 | 175 | 164.3 | 162.4 | -4.1 | 112.1 | A805 M806 Q807 L813 | A805-R809 PolarHBondContact O-N 2.92Å; A805-R809 VanDerWaalsContact O-N 3.11Å; M806-R809 PolarHBondContact O-N 2.95Å; Q807-R809 VanDerWaalsContact C-N 3.29Å; Q807-R809 PolarHBondContact O-N 3.29Å; R809-L813 HydrophobicContact CG-CD1 4.25Å; R809-L813 VanDerWaalsContact O-CG 3.3Å; R809-L813 WeakPolarHBondContact O-CG 3.46Å; R809-L813 PolarHBondContact O-N 3.39Å |
| 810 | I | 97.1 | Very high | 97 | Very high | 89 Ų | 89 | 110.9 Ų | 110.9 | 46% | 0.456 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -50.1 | 175.1 | -71.9 | 165.1 | 0 | 0 | 0 | 109.6 | M806 Q807 H812 L813 E814 | M806-I810 VanDerWaalsContact O-CG1 3.32Å; M806-I810 WeakPolarHBondContact O-CG1 3.43Å; M806-I810 PolarHBondContact O-N 3.49Å; Q807-I810 PolarHBondContact O-N 3.28Å; I810-H812 VanDerWaalsContact C-N 3.34Å; I810-H812 PolarHBondContact O-N 2.92Å; I810-L813 CarbonylContact O-C 3.58Å; I810-L813 WeakPolarHBondContact O-CA 3.49Å; I810-L813 WeakPolarHBondContact O-CB 3.36Å; I810-L813 PolarHBondContact O-N 3.28Å; I810-E814 HydrophobicContact CG2-CG 4.23Å; I810-E814 WeakPolarHBondContact O-CG 3.36Å; I810-E814 PolarHBondContact O-N 3.17Å |
| 811 | Q | 96.9 | Very high | 97 | Very high | 113 Ų | 113 | 109.3 Ų | 109.3 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -55.7 | -46.6 | 177.3 | -73.7 | 174.7 | -12.6 | 0 | 0 | 112.2 | Q807 S808 L813 E814 E815 | Q807-Q811 WeakPolarHBondContact O-CG 3.38Å; Q807-Q811 PolarHBondContact O-N 2.85Å; S808-Q811 PolarHBondContact O-N 3.23Å; Q811-L813 VanDerWaalsContact C-N 3.31Å; Q811-L813 PolarHBondContact O-N 2.72Å; Q811-E814 WeakPolarHBondContact O-CB 3.17Å; Q811-E814 PolarHBondContact O-N 3.07Å; Q811-E815 WeakPolarHBondContact O-CG 3.11Å; Q811-E815 PolarHBondContact O-N 3.43Å |
| 812 | H | 96.6 | Very high | 97.1 | Very high | 113 Ų | 113 | 109.3 Ų | 109.3 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.1 | -37.7 | 176.4 | 173.8 | -85.1 | 0 | 0 | 0 | 112.7 | S808 I810 K816 | S808-H812 PolarHBondContact O-N 2.94Å; I810-H812 VanDerWaalsContact C-N 3.34Å; I810-H812 PolarHBondContact O-N 2.92Å; H812-K816 WeakPolarHBondContact O-CB 3.39Å; H812-K816 PolarHBondContact O-N 3.02Å; H812-K816 VanDerWaalsContact O-N 3.08Å |
| 813 | L | 97 | Very high | 97.1 | Very high | 89 Ų | 89 | 107.1 Ų | 107.1 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 175.7 | -72.6 | 172.7 | 0 | 0 | 0 | 111.7 | R809 I810 Q811 K816 V817 | R809-L813 HydrophobicContact CG-CD1 4.25Å; R809-L813 VanDerWaalsContact O-CG 3.3Å; R809-L813 WeakPolarHBondContact O-CG 3.46Å; R809-L813 PolarHBondContact O-N 3.39Å; I810-L813 CarbonylContact O-C 3.58Å; I810-L813 WeakPolarHBondContact O-CA 3.49Å; I810-L813 WeakPolarHBondContact O-CB 3.36Å; I810-L813 PolarHBondContact O-N 3.28Å; Q811-L813 VanDerWaalsContact C-N 3.31Å; Q811-L813 PolarHBondContact O-N 2.72Å; L813-K816 PolarHBondContact O-N 2.93Å; L813-V817 WeakPolarHBondContact O-CG2 3.41Å; L813-V817 PolarHBondContact O-N 2.87Å |
| 814 | E | 97.5 | Very high | 97 | Very high | 118 Ų | 118 | 109.3 Ų | 109.3 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60 | -48.7 | 174.3 | -71.5 | 171.4 | 160.6 | 0 | 0 | 111 | I810 Q811 K816 V817 E818 | I810-E814 HydrophobicContact CG2-CG 4.23Å; I810-E814 WeakPolarHBondContact O-CG 3.36Å; I810-E814 PolarHBondContact O-N 3.17Å; Q811-E814 WeakPolarHBondContact O-CB 3.17Å; Q811-E814 PolarHBondContact O-N 3.07Å; E814-K816 VanDerWaalsContact C-N 3.28Å; E814-K816 PolarHBondContact O-N 3.37Å; E814-V817 PolarHBondContact O-N 3.47Å; E814-V817 VanDerWaalsContact O-N 3.15Å; E814-E818 PolarHBondContact O-N 2.99Å |
| 815 | E | 98 | Very high | 97 | Very high | 104 Ų | 104 | 111.9 Ų | 111.9 | 49% | 0.486 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.2 | -39.9 | 174.7 | -73.5 | -179.2 | -164.6 | 0 | 0 | 112.3 | Q811 E818 K819 | Q811-E815 WeakPolarHBondContact O-CG 3.11Å; Q811-E815 PolarHBondContact O-N 3.43Å; E815-E818 PolarHBondContact O-N 3.44Å; E815-K819 WeakPolarHBondContact O-CB 3.41Å; E815-K819 WeakPolarHBondContact O-CG 3.4Å; E815-K819 PolarHBondContact O-N 3.45Å |
| 816 | K | 97.3 | Very high | 97 | Very high | 117 Ų | 117 | 115.1 Ų | 115.1 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 178.3 | -170.6 | 172.8 | -177.5 | 173.7 | 0 | 111.6 | H812 L813 E814 K819 L820 | H812-K816 WeakPolarHBondContact O-CB 3.39Å; H812-K816 PolarHBondContact O-N 3.02Å; H812-K816 VanDerWaalsContact O-N 3.08Å; L813-K816 PolarHBondContact O-N 2.93Å; E814-K816 VanDerWaalsContact C-N 3.28Å; E814-K816 PolarHBondContact O-N 3.37Å; K816-K819 PolarHBondContact O-N 2.9Å; K816-L820 HydrophobicContact CG-CD1 4.36Å; K816-L820 WeakPolarHBondContact O-CB 3.41Å; K816-L820 VanDerWaalsContact O-CG 3.29Å; K816-L820 WeakPolarHBondContact O-CG 3.33Å; K816-L820 PolarHBondContact O-N 3.3Å |
| 817 | V | 97.1 | Very high | 96.9 | Very high | 86 Ų | 86 | 113 Ų | 113 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 174.4 | 168.8 | 0 | 0 | 0 | 0 | 110.1 | L813 E814 K819 L820 Q821 | L813-V817 WeakPolarHBondContact O-CG2 3.41Å; L813-V817 PolarHBondContact O-N 2.87Å; E814-V817 PolarHBondContact O-N 3.47Å; E814-V817 VanDerWaalsContact O-N 3.15Å; V817-K819 PolarHBondContact O-N 2.94Å; V817-L820 PolarHBondContact O-N 3.17Å; V817-Q821 VanDerWaalsContact O-CB 3.28Å; V817-Q821 WeakPolarHBondContact O-CB 3.39Å; V817-Q821 PolarHBondContact O-N 3Å |
| 818 | E | 97.4 | Very high | 96.9 | Very high | 125 Ų | 125 | 112.9 Ų | 112.9 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 177.8 | -172.6 | 171.2 | -163.6 | 0 | 0 | 112 | E814 E815 L820 Q821 Q822 | E814-E818 PolarHBondContact O-N 2.99Å; E815-E818 PolarHBondContact O-N 3.44Å; E818-L820 PolarHBondContact O-N 2.85Å; E818-Q821 PolarHBondContact O-N 2.97Å; E818-Q822 WeakPolarHBondContact O-CB 3.28Å; E818-Q822 PolarHBondContact O-N 2.87Å |
| 819 | K | 97.6 | Very high | 96.9 | Very high | 133 Ų | 133 | 114.6 Ų | 114.6 | 58% | 0.578 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -58.5 | -48 | 173.9 | -75.7 | 170.7 | -176.9 | 164.2 | 0 | 112 | E815 K816 V817 Q821 Q822 E823 | E815-K819 WeakPolarHBondContact O-CB 3.41Å; E815-K819 WeakPolarHBondContact O-CG 3.4Å; E815-K819 PolarHBondContact O-N 3.45Å; K816-K819 PolarHBondContact O-N 2.9Å; V817-K819 PolarHBondContact O-N 2.94Å; K819-Q821 VanDerWaalsContact C-N 3.29Å; K819-Q821 PolarHBondContact O-N 3.43Å; K819-Q822 PolarHBondContact O-N 3.03Å; K819-E823 PolarHBondContact O-N 3.49Å |
| 820 | L | 96.9 | Very high | 96.8 | Very high | 98 Ų | 98 | 110 Ų | 110 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -36 | 176.9 | -73.3 | 172 | 0 | 0 | 0 | 112 | K816 V817 E818 E823 K824 | K816-L820 HydrophobicContact CG-CD1 4.36Å; K816-L820 WeakPolarHBondContact O-CB 3.41Å; K816-L820 VanDerWaalsContact O-CG 3.29Å; K816-L820 WeakPolarHBondContact O-CG 3.33Å; K816-L820 PolarHBondContact O-N 3.3Å; V817-L820 PolarHBondContact O-N 3.17Å; E818-L820 PolarHBondContact O-N 2.85Å; L820-E823 PolarHBondContact O-N 2.91Å; L820-K824 WeakPolarHBondContact O-CB 3.31Å; L820-K824 PolarHBondContact O-N 3.35Å |
| 821 | Q | 95.9 | Very high | 96.6 | Very high | 116 Ų | 116 | 108.2 Ų | 108.2 | 54% | 0.542 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.9 | -33.8 | 177.7 | -168.4 | 167.4 | -6.7 | 0 | 0 | 112 | V817 E818 K819 R825 | V817-Q821 VanDerWaalsContact O-CB 3.28Å; V817-Q821 WeakPolarHBondContact O-CB 3.39Å; V817-Q821 PolarHBondContact O-N 3Å; E818-Q821 PolarHBondContact O-N 2.97Å; K819-Q821 VanDerWaalsContact C-N 3.29Å; K819-Q821 PolarHBondContact O-N 3.43Å; Q821-R825 WeakPolarHBondContact O-CG 3.41Å; Q821-R825 PolarHBondContact O-N 3.5Å; Q821-R825 VanDerWaalsContact O-N 3.15Å; Q821-R825 PolarHBondContact O-NE 2.88Å |
| 822 | Q | 97.2 | Very high | 96.6 | Very high | 124 Ų | 124 | 108.6 Ų | 108.6 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.8 | -43.7 | 170.1 | -169.2 | 176.3 | 11.1 | 0 | 0 | 111.5 | E818 K819 R825 R826 | E818-Q822 WeakPolarHBondContact O-CB 3.28Å; E818-Q822 PolarHBondContact O-N 2.87Å; K819-Q822 PolarHBondContact O-N 3.03Å; Q822-R825 WeakPolarHBondContact O-CB 3.34Å; Q822-R825 PolarHBondContact O-N 3.47Å; Q822-R826 PolarHBondContact O-N 3.21Å |
| 823 | E | 96.3 | Very high | 96.5 | Very high | 98 Ų | 98 | 108.2 Ų | 108.2 | 46% | 0.458 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 176.7 | -172.5 | 172.8 | -166.3 | 0 | 0 | 112 | K819 L820 R825 R826 L827 | K819-E823 PolarHBondContact O-N 3.49Å; L820-E823 PolarHBondContact O-N 2.91Å; E823-R825 VanDerWaalsContact C-N 3.3Å; E823-R825 PolarHBondContact O-N 3.31Å; E823-R826 WeakPolarHBondContact O-CB 3.32Å; E823-R826 PolarHBondContact O-N 3.41Å; E823-R826 VanDerWaalsContact O-N 3.15Å; E823-L827 HydrophobicContact CG-CD1 4.31Å; E823-L827 WeakPolarHBondContact O-CG 3.37Å; E823-L827 PolarHBondContact O-N 3.3Å |
| 824 | K | 96.4 | Very high | 96.5 | Very high | 136 Ų | 136 | 109.6 Ų | 109.6 | 59% | 0.591 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.7 | -42.2 | 172.9 | -177.3 | 178.1 | 179.1 | 177.7 | 0 | 112 | L820 L827 N828 | L820-K824 WeakPolarHBondContact O-CB 3.31Å; L820-K824 PolarHBondContact O-N 3.35Å; K824-L827 PolarHBondContact O-N 3.32Å; K824-N828 WeakPolarHBondContact O-CB 3.22Å; K824-N828 PolarHBondContact O-N 2.96Å |
| 825 | R | 96.8 | Very high | 96.4 | Very high | 144 Ų | 144 | 108.9 Ų | 108.9 | 54% | 0.543 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 175.5 | -77.6 | -176.6 | -75.6 | 175 | -3.4 | 111.5 | Q821 Q822 E823 N828 L829 | Q821-R825 WeakPolarHBondContact O-CG 3.41Å; Q821-R825 PolarHBondContact O-N 3.5Å; Q821-R825 VanDerWaalsContact O-N 3.15Å; Q821-R825 PolarHBondContact O-NE 2.88Å; Q822-R825 WeakPolarHBondContact O-CB 3.34Å; Q822-R825 PolarHBondContact O-N 3.47Å; E823-R825 VanDerWaalsContact C-N 3.3Å; E823-R825 PolarHBondContact O-N 3.31Å; R825-N828 PolarHBondContact O-N 3.05Å; R825-L829 PolarHBondContact O-N 2.89Å |
| 826 | R | 96.6 | Very high | 96.3 | Very high | 130 Ų | 130 | 109.1 Ų | 109.1 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 176.6 | -167.9 | -167.4 | 69.6 | 71.7 | 2.4 | 111.7 | Q822 E823 N828 L829 E830 | Q822-R826 PolarHBondContact O-N 3.21Å; E823-R826 WeakPolarHBondContact O-CB 3.32Å; E823-R826 PolarHBondContact O-N 3.41Å; E823-R826 VanDerWaalsContact O-N 3.15Å; R826-N828 VanDerWaalsContact C-N 3.34Å; R826-N828 PolarHBondContact O-N 2.83Å; R826-L829 WeakPolarHBondContact O-CB 3.36Å; R826-L829 PolarHBondContact O-N 3.45Å; R826-E830 IonicContact CZ-OE2 2.67Å; R826-E830 IonicContact NH1-OE2 2.61Å; R826-E830 PolarHBondContact NH1-OE2 3.19Å; R826-E830 IonicContact NH2-OE2 2.98Å; R826-E830 PolarHBondContact O-N 2.93Å |
| 827 | L | 95.3 | Very high | 96.3 | Very high | 83 Ų | 83 | 108.6 Ų | 108.6 | 44% | 0.435 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 178.9 | -71.8 | 172.8 | 0 | 0 | 0 | 112.4 | E823 K824 E830 A831 | E823-L827 HydrophobicContact CG-CD1 4.31Å; E823-L827 WeakPolarHBondContact O-CG 3.37Å; E823-L827 PolarHBondContact O-N 3.3Å; K824-L827 PolarHBondContact O-N 3.32Å; L827-E830 PolarHBondContact O-N 2.92Å; L827-A831 WeakPolarHBondContact O-CB 3.48Å; L827-A831 PolarHBondContact O-N 3Å |
| 828 | N | 96.1 | Very high | 96.1 | Very high | 101 Ų | 101 | 110.2 Ų | 110.2 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 175.2 | -79.7 | -4.2 | 0 | 0 | 0 | 112.5 | K824 R825 R826 A831 H832 | K824-N828 WeakPolarHBondContact O-CB 3.22Å; K824-N828 PolarHBondContact O-N 2.96Å; R825-N828 PolarHBondContact O-N 3.05Å; R826-N828 VanDerWaalsContact C-N 3.34Å; R826-N828 PolarHBondContact O-N 2.83Å; N828-A831 PolarHBondContact O-N 3.34Å; N828-H832 WeakPolarHBondContact O-CB 3.39Å; N828-H832 PolarHBondContact O-N 3.49Å |
| 829 | L | 96.6 | Very high | 96.1 | Very high | 109 Ų | 109 | 108 Ų | 108 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 174 | -79.2 | 158.4 | 0 | 0 | 0 | 110.8 | R825 R826 H832 H833 | R825-L829 PolarHBondContact O-N 2.89Å; R826-L829 WeakPolarHBondContact O-CB 3.36Å; R826-L829 PolarHBondContact O-N 3.45Å; L829-H832 WeakPolarHBondContact O-CB 3.48Å; L829-H832 PolarHBondContact O-N 2.92Å; L829-H833 PolarHBondContact O-CD2 3.42Å; L829-H833 PolarHBondContact O-N 3.23Å |
| 830 | E | 95.7 | Very high | 96 | Very high | 84 Ų | 84 | 108.5 Ų | 108.5 | 39% | 0.393 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.3 | -167.8 | 166 | -164.9 | 0 | 0 | 112.1 | R826 L827 H832 H833 Q834 | R826-E830 IonicContact CZ-OE2 2.67Å; R826-E830 IonicContact NH1-OE2 2.61Å; R826-E830 PolarHBondContact NH1-OE2 3.19Å; R826-E830 IonicContact NH2-OE2 2.98Å; R826-E830 PolarHBondContact O-N 2.93Å; L827-E830 PolarHBondContact O-N 2.92Å; E830-H832 VanDerWaalsContact C-N 3.31Å; E830-H832 PolarHBondContact O-N 3.33Å; E830-H833 PolarHBondContact O-N 3.1Å; E830-Q834 WeakPolarHBondContact O-CG 3.22Å; E830-Q834 PolarHBondContact O-N 2.98Å |
| 831 | A | 94.3 | Very high | 95.9 | Very high | 52 Ų | 52 | 106.1 Ų | 106.1 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -36.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L827 N828 L835 | L827-A831 WeakPolarHBondContact O-CB 3.48Å; L827-A831 PolarHBondContact O-N 3Å; N828-A831 PolarHBondContact O-N 3.34Å; A831-L835 WeakPolarHBondContact O-CB 3.49Å; A831-L835 PolarHBondContact O-N 2.95Å |
| 832 | H | 95.4 | Very high | 95.9 | Very high | 120 Ų | 120 | 110.1 Ų | 110.1 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.3 | -42.9 | 175.1 | -169.6 | 63.9 | 0 | 0 | 0 | 111.7 | N828 L829 E830 L835 Q836 | N828-H832 WeakPolarHBondContact O-CB 3.39Å; N828-H832 PolarHBondContact O-N 3.49Å; L829-H832 WeakPolarHBondContact O-CB 3.48Å; L829-H832 PolarHBondContact O-N 2.92Å; E830-H832 VanDerWaalsContact C-N 3.31Å; E830-H832 PolarHBondContact O-N 3.33Å; H832-L835 PolarHBondContact O-N 3.18Å; H832-Q836 WeakPolarHBondContact O-CB 3.45Å; H832-Q836 PolarHBondContact O-N 3.27Å |
| 833 | H | 96.4 | Very high | 95.9 | Very high | 105 Ų | 105 | 108.4 Ų | 108.4 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 173.9 | -76 | -57.9 | 0 | 0 | 0 | 112 | L829 E830 L835 Q836 D837 | L829-H833 PolarHBondContact O-CD2 3.42Å; L829-H833 PolarHBondContact O-N 3.23Å; E830-H833 PolarHBondContact O-N 3.1Å; H833-L835 VanDerWaalsContact C-N 3.29Å; H833-L835 PolarHBondContact O-N 2.99Å; H833-Q836 WeakPolarHBondContact O-CB 3.29Å; H833-Q836 PolarHBondContact O-N 3Å; H833-Q836 VanDerWaalsContact O-N 3.08Å; H833-D837 PolarHBondContact O-N 2.89Å |
| 834 | Q | 95.6 | Very high | 95.8 | Very high | 118 Ų | 118 | 108.7 Ų | 108.7 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.4 | -40.3 | 176.1 | -72.1 | 177.4 | -9 | 0 | 0 | 112.2 | E830 Q836 D837 L838 | E830-Q834 WeakPolarHBondContact O-CG 3.22Å; E830-Q834 PolarHBondContact O-N 2.98Å; Q834-Q836 VanDerWaalsContact C-N 3.34Å; Q834-D837 PolarHBondContact O-N 2.96Å; Q834-L838 WeakPolarHBondContact O-CB 3.4Å; Q834-L838 VanDerWaalsContact O-CG 3.3Å; Q834-L838 WeakPolarHBondContact O-CG 3.41Å; Q834-L838 PolarHBondContact O-N 3.35Å |
| 835 | L | 95.9 | Very high | 95.8 | Very high | 103 Ų | 103 | 110 Ų | 110 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 175.3 | -175.4 | 65.1 | 0 | 0 | 0 | 111.3 | A831 H832 H833 L838 T839 | A831-L835 WeakPolarHBondContact O-CB 3.49Å; A831-L835 PolarHBondContact O-N 2.95Å; H832-L835 PolarHBondContact O-N 3.18Å; H833-L835 VanDerWaalsContact C-N 3.29Å; H833-L835 PolarHBondContact O-N 2.99Å; L835-L838 PolarHBondContact O-N 3.45Å; L835-T839 WeakPolarHBondContact O-CG2 3.35Å; L835-T839 PolarHBondContact O-N 3.36Å; L835-T839 PolarHBondContact O-OG1 3.48Å |
| 836 | Q | 96.6 | Very high | 95.7 | Very high | 109 Ų | 109 | 110.7 Ų | 110.7 | 51% | 0.509 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 176.7 | -169.9 | 175.9 | 1.8 | 0 | 0 | 111.3 | H832 H833 Q834 L838 T839 F840 | H832-Q836 WeakPolarHBondContact O-CB 3.45Å; H832-Q836 PolarHBondContact O-N 3.27Å; H833-Q836 WeakPolarHBondContact O-CB 3.29Å; H833-Q836 PolarHBondContact O-N 3Å; H833-Q836 VanDerWaalsContact O-N 3.08Å; Q834-Q836 VanDerWaalsContact C-N 3.34Å; Q836-L838 PolarHBondContact O-N 3.27Å; Q836-T839 WeakPolarHBondContact CA-OG1 3.29Å; Q836-T839 PolarHBondContact O-N 2.97Å; Q836-T839 VanDerWaalsContact O-N 3.16Å; Q836-T839 PolarHBondContact O-OG1 3.39Å; Q836-F840 PolarHBondContact O-N 3.25Å |
| 837 | D | 95.4 | Very high | 95.8 | Very high | 107 Ų | 107 | 109.3 Ų | 109.3 | 57% | 0.572 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62 | -42.3 | 176.7 | -67.7 | -19.3 | 0 | 0 | 0 | 111.6 | H833 Q834 T839 F840 A841 | H833-D837 PolarHBondContact O-N 2.89Å; Q834-D837 PolarHBondContact O-N 2.96Å; D837-T839 VanDerWaalsContact C-N 3.34Å; D837-T839 PolarHBondContact O-N 3.3Å; D837-F840 PolarHBondContact O-N 3.44Å; D837-A841 WeakPolarHBondContact O-CB 3.17Å; D837-A841 PolarHBondContact O-N 2.9Å |
| 838 | L | 94.8 | Very high | 95.8 | Very high | 119 Ų | 119 | 109.8 Ų | 109.8 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | 174.6 | -73.8 | 175.3 | 0 | 0 | 0 | 112.2 | Q834 L835 Q836 R842 | Q834-L838 WeakPolarHBondContact O-CB 3.4Å; Q834-L838 VanDerWaalsContact O-CG 3.3Å; Q834-L838 WeakPolarHBondContact O-CG 3.41Å; Q834-L838 PolarHBondContact O-N 3.35Å; L835-L838 PolarHBondContact O-N 3.45Å; Q836-L838 PolarHBondContact O-N 3.27Å; L838-R842 VanDerWaalsContact O-CB 3.24Å; L838-R842 WeakPolarHBondContact O-CB 3.31Å; L838-R842 PolarHBondContact O-N 2.99Å |
| 839 | T | 95.4 | Very high | 95.9 | Very high | 78 Ų | 78 | 106.5 Ų | 106.5 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 175.3 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | L835 Q836 D837 R842 E843 | L835-T839 WeakPolarHBondContact O-CG2 3.35Å; L835-T839 PolarHBondContact O-N 3.36Å; L835-T839 PolarHBondContact O-OG1 3.48Å; Q836-T839 WeakPolarHBondContact CA-OG1 3.29Å; Q836-T839 PolarHBondContact O-N 2.97Å; Q836-T839 VanDerWaalsContact O-N 3.16Å; Q836-T839 PolarHBondContact O-OG1 3.39Å; D837-T839 VanDerWaalsContact C-N 3.34Å; D837-T839 PolarHBondContact O-N 3.3Å; T839-R842 PolarHBondContact O-N 3.24Å; T839-E843 PolarHBondContact O-N 2.8Å; T839-E843 VanDerWaalsContact O-N 3.1Å |
| 840 | F | 96.4 | Very high | 95.8 | Very high | 145 Ų | 145 | 104.4 Ų | 104.4 | 64% | 0.636 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -50.5 | 175.5 | -178.6 | -94.4 | 0 | 0 | 0 | 111.5 | Q836 D837 R842 E843 E844 | Q836-F840 PolarHBondContact O-N 3.25Å; D837-F840 PolarHBondContact O-N 3.44Å; F840-R842 VanDerWaalsContact C-N 3.26Å; F840-R842 PolarHBondContact O-N 3.33Å; F840-E843 WeakPolarHBondContact O-CB 3.41Å; F840-E843 PolarHBondContact O-N 3.31Å; F840-E843 VanDerWaalsContact O-N 3.07Å; F840-E844 PolarHBondContact O-N 2.89Å |
| 841 | A | 95.1 | Very high | 95.9 | Very high | 48 Ų | 48 | 104.6 Ų | 104.6 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D837 E843 K845 | D837-A841 WeakPolarHBondContact O-CB 3.17Å; D837-A841 PolarHBondContact O-N 2.9Å; A841-E843 VanDerWaalsContact C-N 3.34Å; A841-K845 WeakPolarHBondContact O-CB 3.44Å; A841-K845 PolarHBondContact O-N 2.95Å |
| 842 | R | 96.1 | Very high | 96 | Very high | 200 Ų | 200 | 106.4 Ų | 106.4 | 76% | 0.755 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 174.8 | -171.5 | -177.9 | -155.1 | 174.7 | 7.4 | 111.7 | L838 T839 F840 R846 | L838-R842 VanDerWaalsContact O-CB 3.24Å; L838-R842 WeakPolarHBondContact O-CB 3.31Å; L838-R842 PolarHBondContact O-N 2.99Å; T839-R842 PolarHBondContact O-N 3.24Å; F840-R842 VanDerWaalsContact C-N 3.26Å; F840-R842 PolarHBondContact O-N 3.33Å; R842-R846 PolarHBondContact O-N 3.29Å |
| 843 | E | 95.8 | Very high | 96.1 | Very high | 88 Ų | 88 | 108.3 Ų | 108.3 | 41% | 0.411 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.9 | -42.1 | 179.4 | -175.3 | 56.2 | -161.3 | 0 | 0 | 111.6 | T839 F840 A841 K845 R846 Q847 | T839-E843 PolarHBondContact O-N 2.8Å; T839-E843 VanDerWaalsContact O-N 3.1Å; F840-E843 WeakPolarHBondContact O-CB 3.41Å; F840-E843 PolarHBondContact O-N 3.31Å; F840-E843 VanDerWaalsContact O-N 3.07Å; A841-E843 VanDerWaalsContact C-N 3.34Å; E843-K845 PolarHBondContact O-N 3.41Å; E843-R846 VanDerWaalsContact CD-NE 3.28Å; E843-R846 VanDerWaalsContact O-CB 3.31Å; E843-R846 WeakPolarHBondContact O-CB 3.47Å; E843-R846 PolarHBondContact O-N 3.21Å; E843-R846 VanDerWaalsContact O-N 3.1Å; E843-R846 IonicContact OE1-CZ 3.82Å; E843-R846 IonicContact OE1-NE 2.76Å; E843-R846 PolarHBondContact OE1-NE 3Å; E843-R846 IonicContact OE1-NH2 3.95Å; E843-R846 PolarHBondContact OE1-NH2 3.41Å; E843-R846 IonicContact OE2-CZ 3.86Å; E843-R846 IonicContact OE2-NE 3.78Å; E843-R846 PolarHBondContact OE2-NE 3.27Å; E843-R846 IonicContact OE2-NH2 3.05Å; E843-Q847 PolarHBondContact O-N 3.03Å |
| 844 | E | 95.7 | Very high | 96.1 | Very high | 103 Ų | 103 | 105.8 Ų | 105.8 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.1 | -46.7 | 171.6 | -175.3 | -178.1 | -162.1 | 0 | 0 | 111.3 | F840 R846 Q847 L848 | F840-E844 PolarHBondContact O-N 2.89Å; E844-R846 VanDerWaalsContact C-N 3.28Å; E844-R846 PolarHBondContact O-N 3.42Å; E844-Q847 WeakPolarHBondContact O-CB 3.44Å; E844-Q847 PolarHBondContact O-N 2.9Å; E844-Q847 VanDerWaalsContact O-N 3.13Å; E844-L848 HydrophobicContact CG-CD1 4.19Å; E844-L848 HydrophobicContact CG-CG 4.49Å; E844-L848 WeakPolarHBondContact O-CG 3.44Å; E844-L848 PolarHBondContact O-N 3.43Å |
| 845 | K | 95.3 | Very high | 96.1 | Very high | 164 Ų | 164 | 105.6 Ų | 105.6 | 71% | 0.713 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.7 | -37.7 | 174.9 | -177.1 | 178.3 | 179.2 | 176.2 | 0 | 112.2 | A841 E843 G849 | A841-K845 WeakPolarHBondContact O-CB 3.44Å; A841-K845 PolarHBondContact O-N 2.95Å; E843-K845 PolarHBondContact O-N 3.41Å; K845-G849 PolarHBondContact O-N 3.45Å |
| 846 | R | 96.3 | Very high | 96.1 | Very high | 158 Ų | 158 | 109.2 Ų | 109.2 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -44.4 | 175.9 | -171.5 | -171.1 | 73.8 | 80.3 | 1.6 | 110.5 | R842 E843 E844 G849 S850 | R842-R846 PolarHBondContact O-N 3.29Å; E843-R846 VanDerWaalsContact CD-NE 3.28Å; E843-R846 VanDerWaalsContact O-CB 3.31Å; E843-R846 WeakPolarHBondContact O-CB 3.47Å; E843-R846 PolarHBondContact O-N 3.21Å; E843-R846 VanDerWaalsContact O-N 3.1Å; E843-R846 IonicContact OE1-CZ 3.82Å; E843-R846 IonicContact OE1-NE 2.76Å; E843-R846 PolarHBondContact OE1-NE 3Å; E843-R846 IonicContact OE1-NH2 3.95Å; E843-R846 PolarHBondContact OE1-NH2 3.41Å; E843-R846 IonicContact OE2-CZ 3.86Å; E843-R846 IonicContact OE2-NE 3.78Å; E843-R846 PolarHBondContact OE2-NE 3.27Å; E843-R846 IonicContact OE2-NH2 3.05Å; E844-R846 VanDerWaalsContact C-N 3.28Å; E844-R846 PolarHBondContact O-N 3.42Å; R846-G849 PolarHBondContact O-N 2.93Å; R846-S850 PolarHBondContact O-N 3.44Å; R846-S850 VanDerWaalsContact O-N 3.08Å |
| 847 | Q | 96.9 | Very high | 96.1 | Very high | 102 Ų | 102 | 107 Ų | 107 | 48% | 0.477 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.8 | -53.1 | 177.8 | -175.8 | 173.6 | -13.4 | 0 | 0 | 111.5 | E843 E844 G849 S850 E851 | E843-Q847 PolarHBondContact O-N 3.03Å; E844-Q847 WeakPolarHBondContact O-CB 3.44Å; E844-Q847 PolarHBondContact O-N 2.9Å; E844-Q847 VanDerWaalsContact O-N 3.13Å; Q847-G849 PolarHBondContact O-N 3.47Å; Q847-S850 WeakPolarHBondContact O-CA 3.22Å; Q847-S850 WeakPolarHBondContact O-CB 3.43Å; Q847-S850 PolarHBondContact O-N 3.2Å; Q847-S850 PolarHBondContact O-OG 3.38Å; Q847-E851 PolarHBondContact NE2-OE1 3.43Å; Q847-E851 PolarHBondContact O-N 3.48Å |
| 848 | L | 96.6 | Very high | 96.2 | Very high | 93 Ų | 93 | 108.2 Ų | 108.2 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.4 | -37.9 | 175.9 | -68.7 | 175.8 | 0 | 0 | 0 | 111.9 | E844 S850 E851 L852 | E844-L848 HydrophobicContact CG-CD1 4.19Å; E844-L848 HydrophobicContact CG-CG 4.49Å; E844-L848 WeakPolarHBondContact O-CG 3.44Å; E844-L848 PolarHBondContact O-N 3.43Å; L848-S850 VanDerWaalsContact C-N 3.31Å; L848-S850 PolarHBondContact O-N 2.88Å; L848-E851 PolarHBondContact O-N 3.21Å; L848-L852 WeakPolarHBondContact O-CB 3.4Å; L848-L852 PolarHBondContact O-N 3.25Å |
| 849 | G | 97.2 | Very high | 96.3 | Very high | 32 Ų | 32 | 106 Ų | 106 | 33% | 0.33 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.5 | -35.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | K845 R846 Q847 K853 | K845-G849 PolarHBondContact O-N 3.45Å; R846-G849 PolarHBondContact O-N 2.93Å; Q847-G849 PolarHBondContact O-N 3.47Å; G849-K853 WeakPolarHBondContact O-CG 3.42Å; G849-K853 PolarHBondContact O-N 3.02Å |
| 850 | S | 95.8 | Very high | 96.3 | Very high | 64 Ų | 64 | 107.5 Ų | 107.5 | 45% | 0.448 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72 | -40.8 | 174.9 | 74.6 | 0 | 0 | 0 | 0 | 112.2 | R846 Q847 L848 K853 A854 | R846-S850 PolarHBondContact O-N 3.44Å; R846-S850 VanDerWaalsContact O-N 3.08Å; Q847-S850 WeakPolarHBondContact O-CA 3.22Å; Q847-S850 WeakPolarHBondContact O-CB 3.43Å; Q847-S850 PolarHBondContact O-N 3.2Å; Q847-S850 PolarHBondContact O-OG 3.38Å; L848-S850 VanDerWaalsContact C-N 3.31Å; L848-S850 PolarHBondContact O-N 2.88Å; S850-K853 PolarHBondContact O-N 3.46Å; S850-A854 PolarHBondContact O-N 2.83Å |
| 851 | E | 97.4 | Very high | 96.3 | Very high | 89 Ų | 89 | 106 Ų | 106 | 42% | 0.416 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 175.9 | -69 | 177.4 | -161.7 | 0 | 0 | 111.4 | Q847 L848 K853 A854 L855 | Q847-E851 PolarHBondContact NE2-OE1 3.43Å; Q847-E851 PolarHBondContact O-N 3.48Å; L848-E851 PolarHBondContact O-N 3.21Å; E851-K853 VanDerWaalsContact C-N 3.33Å; E851-K853 PolarHBondContact O-N 3.43Å; E851-A854 WeakPolarHBondContact O-CB 3.33Å; E851-A854 PolarHBondContact O-N 3.34Å; E851-L855 PolarHBondContact O-N 3.05Å |
| 852 | L | 96.8 | Very high | 96.4 | Very high | 89 Ų | 89 | 109 Ų | 109 | 47% | 0.466 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -40.9 | 175.7 | -168 | 104.3 | 0 | 0 | 0 | 112 | L848 L855 R856 | L848-L852 WeakPolarHBondContact O-CB 3.4Å; L848-L852 PolarHBondContact O-N 3.25Å; L852-L855 PolarHBondContact O-N 3.37Å; L852-R856 WeakPolarHBondContact O-CG 3.5Å; L852-R856 PolarHBondContact O-N 2.92Å |
| 853 | K | 96.8 | Very high | 96.4 | Very high | 160 Ų | 160 | 106.4 Ų | 106.4 | 70% | 0.696 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 175.3 | -75.5 | 175.2 | -176.9 | -179.5 | 0 | 111.5 | G849 S850 E851 R856 S857 | G849-K853 WeakPolarHBondContact O-CG 3.42Å; G849-K853 PolarHBondContact O-N 3.02Å; S850-K853 PolarHBondContact O-N 3.46Å; E851-K853 VanDerWaalsContact C-N 3.33Å; E851-K853 PolarHBondContact O-N 3.43Å; K853-R856 PolarHBondContact O-N 3Å; K853-S857 PolarHBondContact O-N 3.07Å |
| 854 | A | 96.3 | Very high | 96.4 | Very high | 53 Ų | 53 | 107 Ų | 107 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S850 E851 S857 K858 | S850-A854 PolarHBondContact O-N 2.83Å; E851-A854 WeakPolarHBondContact O-CB 3.33Å; E851-A854 PolarHBondContact O-N 3.34Å; A854-S857 WeakPolarHBondContact O-CB 3.47Å; A854-S857 PolarHBondContact O-N 3.04Å; A854-K858 PolarHBondContact O-N 3.2Å |
| 855 | L | 95.6 | Very high | 96.5 | Very high | 114 Ų | 114 | 108.3 Ų | 108.3 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 175.1 | -79.3 | 167.4 | 0 | 0 | 0 | 112.1 | E851 L852 S857 K858 D859 | E851-L855 PolarHBondContact O-N 3.05Å; L852-L855 PolarHBondContact O-N 3.37Å; L855-S857 VanDerWaalsContact C-N 3.32Å; L855-S857 PolarHBondContact O-N 3.23Å; L855-K858 PolarHBondContact O-N 3.39Å; L855-D859 PolarHBondContact O-N 3.1Å |
| 856 | R | 96.8 | Very high | 96.5 | Very high | 178 Ų | 178 | 104.8 Ų | 104.8 | 67% | 0.672 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.5 | -39.3 | 174.8 | -76.3 | -176 | -177.6 | -173.2 | 1 | 112.5 | L852 K853 K858 D859 H860 | L852-R856 WeakPolarHBondContact O-CG 3.5Å; L852-R856 PolarHBondContact O-N 2.92Å; K853-R856 PolarHBondContact O-N 3Å; R856-K858 VanDerWaalsContact C-N 3.32Å; R856-K858 PolarHBondContact O-N 3.26Å; R856-D859 PolarHBondContact O-N 3.05Å; R856-H860 WeakPolarHBondContact O-CB 3.36Å; R856-H860 PolarHBondContact O-N 3.18Å |
| 857 | S | 96.6 | Very high | 96.5 | Very high | 64 Ų | 64 | 101.8 Ų | 101.8 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -40.3 | 174.7 | -174 | 0 | 0 | 0 | 0 | 111.8 | K853 A854 L855 Q861 | K853-S857 PolarHBondContact O-N 3.07Å; A854-S857 WeakPolarHBondContact O-CB 3.47Å; A854-S857 PolarHBondContact O-N 3.04Å; L855-S857 VanDerWaalsContact C-N 3.32Å; L855-S857 PolarHBondContact O-N 3.23Å; S857-Q861 WeakPolarHBondContact O-CG 3.36Å; S857-Q861 PolarHBondContact O-N 2.91Å |
| 858 | K | 97.1 | Very high | 96.4 | Very high | 131 Ų | 131 | 101.9 Ų | 101.9 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.9 | -43.7 | 176.3 | -71.9 | -178.2 | 179.6 | 179.1 | 0 | 112.2 | A854 L855 R856 H860 Q861 L862 | A854-K858 PolarHBondContact O-N 3.2Å; L855-K858 PolarHBondContact O-N 3.39Å; R856-K858 VanDerWaalsContact C-N 3.32Å; R856-K858 PolarHBondContact O-N 3.26Å; K858-H860 VanDerWaalsContact C-N 3.29Å; K858-H860 PolarHBondContact O-N 3.5Å; K858-Q861 PolarHBondContact O-N 2.89Å; K858-L862 WeakPolarHBondContact O-CG 3.3Å; K858-L862 PolarHBondContact O-N 3.3Å |
| 859 | D | 95.9 | Very high | 96.3 | Very high | 74 Ų | 74 | 101.2 Ų | 101.2 | 40% | 0.396 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 175.4 | -177 | 67.9 | 0 | 0 | 0 | 110.9 | L855 R856 L862 R863 | L855-D859 PolarHBondContact O-N 3.1Å; R856-D859 PolarHBondContact O-N 3.05Å; D859-L862 PolarHBondContact O-N 3.12Å; D859-R863 VanDerWaalsContact O-CG 3.32Å; D859-R863 WeakPolarHBondContact O-CG 3.49Å; D859-R863 PolarHBondContact O-N 2.87Å; D859-R863 IonicContact OD1-CZ 2.7Å; D859-R863 IonicContact OD1-NE 3.75Å; D859-R863 IonicContact OD1-NH2 2.69Å; D859-R863 PolarHBondContact OD1-NH2 2.96Å; D859-R863 IonicContact OD2-CZ 2.66Å; D859-R863 VanDerWaalsContact OD2-CZ 3.3Å; D859-R863 IonicContact OD2-NE 3.79Å; D859-R863 PolarHBondContact OD2-NE 3.38Å; D859-R863 IonicContact OD2-NH2 3.67Å; D859-R863 PolarHBondContact OD2-NH2 3.44Å |
| 860 | H | 96.4 | Very high | 96.2 | Very high | 108 Ų | 108 | 105.3 Ų | 105.3 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.1 | -49 | 174.8 | -170.6 | 58.4 | 0 | 0 | 0 | 112.2 | R856 K858 L862 R863 E864 | R856-H860 WeakPolarHBondContact O-CB 3.36Å; R856-H860 PolarHBondContact O-N 3.18Å; K858-H860 VanDerWaalsContact C-N 3.29Å; K858-H860 PolarHBondContact O-N 3.5Å; H860-L862 VanDerWaalsContact C-N 3.32Å; H860-L862 PolarHBondContact O-N 3.15Å; H860-R863 PolarHBondContact O-N 2.84Å; H860-E864 IonicContact CD2-OE1 2.82Å; H860-E864 IonicContact CE1-OE1 3.98Å; H860-E864 IonicContact NE2-OE1 2.77Å; H860-E864 PolarHBondContact NE2-OE1 3.48Å; H860-E864 WeakPolarHBondContact O-CG 3.4Å; H860-E864 PolarHBondContact O-N 3.23Å |
| 861 | Q | 96.9 | Very high | 96.2 | Very high | 115 Ų | 115 | 103.9 Ų | 103.9 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 176.4 | -73.6 | 172.9 | -0 | 0 | 0 | 112.7 | S857 K858 E864 R865 | S857-Q861 WeakPolarHBondContact O-CG 3.36Å; S857-Q861 PolarHBondContact O-N 2.91Å; K858-Q861 PolarHBondContact O-N 2.89Å; Q861-E864 PolarHBondContact O-N 3.49Å; Q861-R865 WeakPolarHBondContact O-CB 3.35Å; Q861-R865 PolarHBondContact O-N 3.09Å |
| 862 | L | 95.8 | Very high | 96.1 | Very high | 110 Ų | 110 | 104.3 Ų | 104.3 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.3 | -40.3 | 177 | -72.6 | 173.7 | 0 | 0 | 0 | 111.6 | K858 D859 H860 R865 I866 | K858-L862 WeakPolarHBondContact O-CG 3.3Å; K858-L862 PolarHBondContact O-N 3.3Å; D859-L862 PolarHBondContact O-N 3.12Å; H860-L862 VanDerWaalsContact C-N 3.32Å; H860-L862 PolarHBondContact O-N 3.15Å; L862-R865 PolarHBondContact O-N 3.16Å; L862-I866 VanDerWaalsContact O-CG1 3.27Å; L862-I866 WeakPolarHBondContact O-CG1 3.45Å; L862-I866 PolarHBondContact O-N 3.48Å |
| 863 | R | 96.4 | Very high | 95.9 | Very high | 146 Ų | 146 | 105.1 Ų | 105.1 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62 | -45.6 | 174.5 | -73.7 | 178.1 | -164.2 | -74.4 | -12.1 | 111.6 | D859 H860 R865 I866 V867 | D859-R863 VanDerWaalsContact O-CG 3.32Å; D859-R863 WeakPolarHBondContact O-CG 3.49Å; D859-R863 PolarHBondContact O-N 2.87Å; D859-R863 IonicContact OD1-CZ 2.7Å; D859-R863 IonicContact OD1-NE 3.75Å; D859-R863 IonicContact OD1-NH2 2.69Å; D859-R863 PolarHBondContact OD1-NH2 2.96Å; D859-R863 IonicContact OD2-CZ 2.66Å; D859-R863 VanDerWaalsContact OD2-CZ 3.3Å; D859-R863 IonicContact OD2-NE 3.79Å; D859-R863 PolarHBondContact OD2-NE 3.38Å; D859-R863 IonicContact OD2-NH2 3.67Å; D859-R863 PolarHBondContact OD2-NH2 3.44Å; H860-R863 PolarHBondContact O-N 2.84Å; R863-R865 VanDerWaalsContact C-N 3.28Å; R863-R865 PolarHBondContact O-N 3.09Å; R863-I866 PolarHBondContact O-N 3.38Å; R863-V867 WeakPolarHBondContact O-CG2 3.41Å; R863-V867 PolarHBondContact O-N 3.38Å |
| 864 | E | 96.2 | Very high | 95.7 | Very high | 101 Ų | 101 | 103.3 Ų | 103.3 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.5 | -45 | 174.2 | -71.4 | -179.5 | 147.8 | 0 | 0 | 110.7 | H860 Q861 I866 V867 E868 | H860-E864 IonicContact CD2-OE1 2.82Å; H860-E864 IonicContact CE1-OE1 3.98Å; H860-E864 IonicContact NE2-OE1 2.77Å; H860-E864 PolarHBondContact NE2-OE1 3.48Å; H860-E864 WeakPolarHBondContact O-CG 3.4Å; H860-E864 PolarHBondContact O-N 3.23Å; Q861-E864 PolarHBondContact O-N 3.49Å; E864-I866 PolarHBondContact O-N 3.36Å; E864-V867 PolarHBondContact O-N 3.49Å; E864-E868 WeakPolarHBondContact O-CG 3.48Å; E864-E868 PolarHBondContact O-N 3.46Å |
| 865 | R | 97.2 | Very high | 95.6 | Very high | 130 Ų | 130 | 107.9 Ų | 107.9 | 49% | 0.491 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -37.5 | 177.7 | -172.8 | 55.9 | 173.8 | 172.2 | 0.6 | 113.4 | Q861 L862 R863 E868 L869 | Q861-R865 WeakPolarHBondContact O-CB 3.35Å; Q861-R865 PolarHBondContact O-N 3.09Å; L862-R865 PolarHBondContact O-N 3.16Å; R863-R865 VanDerWaalsContact C-N 3.28Å; R863-R865 PolarHBondContact O-N 3.09Å; R865-E868 WeakPolarHBondContact CD-OE2 3.4Å; R865-E868 IonicContact CZ-OE2 3.66Å; R865-E868 IonicContact NH1-OE2 3.84Å; R865-E868 PolarHBondContact NH1-OE2 3.37Å; R865-E868 PolarHBondContact O-N 3.38Å; R865-L869 HydrophobicContact CG-CD1 4.34Å; R865-L869 VanDerWaalsContact O-CG 3.32Å; R865-L869 WeakPolarHBondContact O-CG 3.48Å; R865-L869 PolarHBondContact O-N 2.88Å |
| 866 | I | 95.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 108.3 Ų | 108.3 | 46% | 0.456 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 174.2 | -72.3 | 164.5 | 0 | 0 | 0 | 109.6 | L862 R863 E864 E868 L869 E870 | L862-I866 VanDerWaalsContact O-CG1 3.27Å; L862-I866 WeakPolarHBondContact O-CG1 3.45Å; L862-I866 PolarHBondContact O-N 3.48Å; R863-I866 PolarHBondContact O-N 3.38Å; E864-I866 PolarHBondContact O-N 3.36Å; I866-E868 VanDerWaalsContact C-N 3.29Å; I866-E868 PolarHBondContact O-N 3.41Å; I866-L869 PolarHBondContact O-N 2.91Å; I866-L869 VanDerWaalsContact O-N 3.14Å; I866-E870 HydrophobicContact CG2-CG 4.25Å; I866-E870 WeakPolarHBondContact O-CB 3.26Å; I866-E870 WeakPolarHBondContact O-CG 3.46Å; I866-E870 PolarHBondContact O-N 3.44Å |
| 867 | V | 95.5 | Very high | 95.2 | Very high | 96 Ų | 96 | 105.3 Ų | 105.3 | 58% | 0.582 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.7 | -39.8 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | R863 E864 G871 | R863-V867 WeakPolarHBondContact O-CG2 3.41Å; R863-V867 PolarHBondContact O-N 3.38Å; E864-V867 PolarHBondContact O-N 3.49Å; V867-G871 PolarHBondContact O-N 2.93Å |
| 868 | E | 95.8 | Very high | 95 | Very high | 103 Ų | 103 | 107 Ų | 107 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 173.6 | -74.8 | 179.3 | 173.4 | 0 | 0 | 112.6 | E864 R865 I866 G871 I872 | E864-E868 WeakPolarHBondContact O-CG 3.48Å; E864-E868 PolarHBondContact O-N 3.46Å; R865-E868 WeakPolarHBondContact CD-OE2 3.4Å; R865-E868 IonicContact CZ-OE2 3.66Å; R865-E868 IonicContact NH1-OE2 3.84Å; R865-E868 PolarHBondContact NH1-OE2 3.37Å; R865-E868 PolarHBondContact O-N 3.38Å; I866-E868 VanDerWaalsContact C-N 3.29Å; I866-E868 PolarHBondContact O-N 3.41Å; E868-G871 PolarHBondContact O-N 3.41Å; E868-I872 WeakPolarHBondContact O-CG1 3.31Å; E868-I872 PolarHBondContact O-N 3.02Å |
| 869 | L | 95.1 | Very high | 94.7 | Very high | 79 Ų | 79 | 107.9 Ų | 107.9 | 41% | 0.414 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | -180 | -72.7 | 173.1 | 0 | 0 | 0 | 111.5 | R865 I866 G871 I872 L873 | R865-L869 HydrophobicContact CG-CD1 4.34Å; R865-L869 VanDerWaalsContact O-CG 3.32Å; R865-L869 WeakPolarHBondContact O-CG 3.48Å; R865-L869 PolarHBondContact O-N 2.88Å; I866-L869 PolarHBondContact O-N 2.91Å; I866-L869 VanDerWaalsContact O-N 3.14Å; L869-G871 VanDerWaalsContact C-N 3.31Å; L869-G871 PolarHBondContact O-N 3.31Å; L869-I872 PolarHBondContact O-N 2.9Å; L869-L873 WeakPolarHBondContact O-CB 3.47Å; L869-L873 WeakPolarHBondContact O-CG 3.46Å; L869-L873 PolarHBondContact O-N 3.46Å |
| 870 | E | 94.6 | Very high | 94.1 | Very high | 119 Ų | 119 | 108.7 Ų | 108.7 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.4 | -44.1 | 172 | -74.4 | 177 | 168.5 | 0 | 0 | 111 | I866 I872 L873 H874 | I866-E870 HydrophobicContact CG2-CG 4.25Å; I866-E870 WeakPolarHBondContact O-CB 3.26Å; I866-E870 WeakPolarHBondContact O-CG 3.46Å; I866-E870 PolarHBondContact O-N 3.44Å; E870-I872 PolarHBondContact O-N 3.46Å; E870-L873 PolarHBondContact O-N 3.43Å; E870-H874 WeakPolarHBondContact O-CB 3.38Å; E870-H874 PolarHBondContact O-N 3.22Å |
| 871 | G | 94.7 | Very high | 93.8 | Very high | 33 Ų | 33 | 106 Ų | 106 | 34% | 0.34 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V867 E868 L869 K875 | V867-G871 PolarHBondContact O-N 2.93Å; E868-G871 PolarHBondContact O-N 3.41Å; L869-G871 VanDerWaalsContact C-N 3.31Å; L869-G871 PolarHBondContact O-N 3.31Å; G871-K875 VanDerWaalsContact O-CG 3.32Å; G871-K875 WeakPolarHBondContact O-CG 3.31Å; G871-K875 PolarHBondContact O-N 3.24Å |
| 872 | I | 95.3 | Very high | 93.4 | Very high | 99 Ų | 99 | 106.6 Ų | 106.6 | 51% | 0.508 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -47.1 | 174.8 | -68.8 | 165.8 | 0 | 0 | 0 | 110.4 | E868 L869 E870 H874 K875 M876 | E868-I872 WeakPolarHBondContact O-CG1 3.31Å; E868-I872 PolarHBondContact O-N 3.02Å; L869-I872 PolarHBondContact O-N 2.9Å; E870-I872 PolarHBondContact O-N 3.46Å; I872-H874 VanDerWaalsContact C-N 3.35Å; I872-H874 PolarHBondContact O-N 2.83Å; I872-K875 PolarHBondContact O-N 2.86Å; I872-M876 WeakPolarHBondContact O-CB 3.47Å; I872-M876 PolarHBondContact O-N 2.97Å |
| 873 | L | 93.1 | Very high | 92.9 | Very high | 106 Ų | 106 | 103.9 Ų | 103.9 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | 177.7 | -76.2 | 168.5 | 0 | 0 | 0 | 111.4 | L869 E870 K875 M876 F877 | L869-L873 WeakPolarHBondContact O-CB 3.47Å; L869-L873 WeakPolarHBondContact O-CG 3.46Å; L869-L873 PolarHBondContact O-N 3.46Å; E870-L873 PolarHBondContact O-N 3.43Å; L873-K875 PolarHBondContact O-N 3.25Å; L873-M876 HydrophobicContact CD2-CE 4.31Å; L873-M876 PolarHBondContact O-N 3.2Å; L873-F877 WeakPolarHBondContact O-CB 3.49Å; L873-F877 PolarHBondContact O-N 3.17Å |
| 874 | H | 92.4 | Very high | 92.4 | Very high | 121 Ų | 121 | 101.6 Ų | 101.6 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.4 | -42.3 | 178 | -154.2 | 73.7 | 0 | 0 | 0 | 111.8 | E870 I872 M876 F877 L878 | E870-H874 WeakPolarHBondContact O-CB 3.38Å; E870-H874 PolarHBondContact O-N 3.22Å; I872-H874 VanDerWaalsContact C-N 3.35Å; I872-H874 PolarHBondContact O-N 2.83Å; H874-M876 PolarHBondContact O-N 3.13Å; H874-F877 PolarHBondContact O-N 3.44Å; H874-L878 WeakPolarHBondContact O-CG 3.47Å; H874-L878 PolarHBondContact O-N 3.44Å |
| 875 | K | 94.1 | Very high | 92 | Very high | 150 Ų | 150 | 99.2 Ų | 99.2 | 65% | 0.652 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.9 | -41.2 | 173 | -74 | 173.8 | -177 | 177.2 | 0 | 112.3 | G871 I872 L873 K879 | G871-K875 VanDerWaalsContact O-CG 3.32Å; G871-K875 WeakPolarHBondContact O-CG 3.31Å; G871-K875 PolarHBondContact O-N 3.24Å; I872-K875 PolarHBondContact O-N 2.86Å; L873-K875 PolarHBondContact O-N 3.25Å; K875-K879 WeakPolarHBondContact O-CG 3.4Å; K875-K879 PolarHBondContact O-N 3.07Å; K875-K879 VanDerWaalsContact O-N 3.08Å |
| 876 | M | 92.6 | Very high | 91.4 | Very high | 123 Ų | 123 | 97.6 Ų | 97.6 | 61% | 0.606 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.8 | -41.3 | 177.3 | -168.5 | 177.8 | 80.8 | 0 | 0 | 111.4 | I872 L873 H874 K879 M880 | I872-M876 WeakPolarHBondContact O-CB 3.47Å; I872-M876 PolarHBondContact O-N 2.97Å; L873-M876 HydrophobicContact CD2-CE 4.31Å; L873-M876 PolarHBondContact O-N 3.2Å; H874-M876 PolarHBondContact O-N 3.13Å; M876-K879 PolarHBondContact O-N 3.06Å; M876-M880 WeakPolarHBondContact O-CB 3.47Å; M876-M880 PolarHBondContact O-N 2.97Å |
| 877 | F | 91.3 | Very high | 90.8 | Very high | 114 Ų | 114 | 96.7 Ų | 96.7 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 175.3 | -177.8 | -97.8 | 0 | 0 | 0 | 111.6 | L873 H874 K879 M880 C881 | L873-F877 WeakPolarHBondContact O-CB 3.49Å; L873-F877 PolarHBondContact O-N 3.17Å; H874-F877 PolarHBondContact O-N 3.44Å; F877-K879 PolarHBondContact O-N 3.24Å; F877-M880 HydrophobicContact CD2-CE 3.75Å; F877-M880 HydrophobicContact CE2-CE 3.94Å; F877-M880 WeakPolarHBondContact O-CB 3.4Å; F877-M880 PolarHBondContact O-N 3.33Å; F877-M880 VanDerWaalsContact O-N 3.16Å; F877-C881 PolarHBondContact O-N 3.14Å; F877-C881 PolarHBondContact O-SG 3.05Å; F877-C881 VanDerWaalsContact O-SG 3.37Å |
| 878 | L | 92.4 | Very high | 90.5 | Very high | 100 Ų | 100 | 98.5 Ų | 98.5 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 175 | -73.2 | 171 | 0 | 0 | 0 | 112.1 | H874 M880 C881 E882 | H874-L878 WeakPolarHBondContact O-CG 3.47Å; H874-L878 PolarHBondContact O-N 3.44Å; L878-M880 VanDerWaalsContact C-N 3.33Å; L878-M880 PolarHBondContact O-N 3.02Å; L878-C881 WeakPolarHBondContact O-CB 3.45Å; L878-C881 PolarHBondContact O-N 3.22Å; L878-E882 PolarHBondContact O-N 3.23Å |
| 879 | K | 90.8 | Very high | 90 | Very high | 149 Ų | 149 | 98.2 Ų | 98.2 | 65% | 0.648 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.3 | -37.6 | 175.1 | -75.9 | -175.3 | 177 | -172.1 | 0 | 112.9 | K875 M876 F877 E882 S883 | K875-K879 WeakPolarHBondContact O-CG 3.4Å; K875-K879 PolarHBondContact O-N 3.07Å; K875-K879 VanDerWaalsContact O-N 3.08Å; M876-K879 PolarHBondContact O-N 3.06Å; F877-K879 PolarHBondContact O-N 3.24Å; K879-E882 PolarHBondContact O-N 3.44Å; K879-S883 WeakPolarHBondContact O-CB 3.42Å; K879-S883 PolarHBondContact O-N 3.32Å |
| 880 | M | 84.7 | Confident | 89.6 | Confident | 92 Ų | 92 | 100.4 Ų | 100.4 | 45% | 0.453 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -44.5 | 175.4 | -175.5 | -177.7 | 69.2 | 0 | 0 | 110.5 | M876 F877 L878 E882 S883 L884 | M876-M880 WeakPolarHBondContact O-CB 3.47Å; M876-M880 PolarHBondContact O-N 2.97Å; F877-M880 HydrophobicContact CD2-CE 3.75Å; F877-M880 HydrophobicContact CE2-CE 3.94Å; F877-M880 WeakPolarHBondContact O-CB 3.4Å; F877-M880 PolarHBondContact O-N 3.33Å; F877-M880 VanDerWaalsContact O-N 3.16Å; L878-M880 VanDerWaalsContact C-N 3.33Å; L878-M880 PolarHBondContact O-N 3.02Å; M880-E882 VanDerWaalsContact C-N 3.34Å; M880-E882 PolarHBondContact O-N 2.95Å; M880-S883 WeakPolarHBondContact CA-OG 3.39Å; M880-S883 PolarHBondContact O-N 2.89Å; M880-S883 PolarHBondContact O-OG 3.4Å; M880-L884 HydrophobicContact CG-CD1 4.08Å; M880-L884 HydrophobicContact CG-CG 4.49Å; M880-L884 WeakPolarHBondContact O-CB 3.5Å; M880-L884 WeakPolarHBondContact O-CG 3.38Å; M880-L884 PolarHBondContact O-N 2.92Å |
| 881 | C | 89.2 | Confident | 89.3 | Confident | 52 Ų | 52 | 99.5 Ų | 99.5 | 35% | 0.351 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 173.7 | -69.4 | 0 | 0 | 0 | 0 | 112.2 | F877 L878 L884 A885 | F877-C881 PolarHBondContact O-N 3.14Å; F877-C881 PolarHBondContact O-SG 3.05Å; F877-C881 VanDerWaalsContact O-SG 3.37Å; L878-C881 WeakPolarHBondContact O-CB 3.45Å; L878-C881 PolarHBondContact O-N 3.22Å; C881-L884 PolarHBondContact O-N 2.98Å; C881-A885 WeakPolarHBondContact O-CB 3.35Å; C881-A885 PolarHBondContact O-N 2.71Å |
| 882 | E | 89 | Confident | 88.9 | Confident | 126 Ų | 126 | 103 Ų | 103 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 174.3 | -171.5 | 178 | -166.7 | 0 | 0 | 111.6 | L878 K879 M880 L884 A885 N886 | L878-E882 PolarHBondContact O-N 3.23Å; K879-E882 PolarHBondContact O-N 3.44Å; M880-E882 VanDerWaalsContact C-N 3.34Å; M880-E882 PolarHBondContact O-N 2.95Å; E882-L884 PolarHBondContact O-N 3.5Å; E882-A885 WeakPolarHBondContact O-CB 3.5Å; E882-A885 PolarHBondContact O-N 2.93Å; E882-N886 VanDerWaalsContact O-CG 3.24Å; E882-N886 PolarHBondContact O-N 3.2Å; E882-N886 PolarHBondContact O-ND2 3.16Å |
| 883 | S | 84.8 | Confident | 88.7 | Confident | 53 Ų | 53 | 103.3 Ų | 103.3 | 37% | 0.371 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -37.3 | 175.6 | 75.1 | 0 | 0 | 0 | 0 | 113 | K879 M880 N886 C887 | K879-S883 WeakPolarHBondContact O-CB 3.42Å; K879-S883 PolarHBondContact O-N 3.32Å; M880-S883 WeakPolarHBondContact CA-OG 3.39Å; M880-S883 PolarHBondContact O-N 2.89Å; M880-S883 PolarHBondContact O-OG 3.4Å; S883-N886 PolarHBondContact O-N 3.31Å; S883-C887 WeakPolarHBondContact O-CB 3.34Å; S883-C887 PolarHBondContact O-N 3.33Å; S883-C887 PolarHBondContact O-SG 3.39Å |
| 884 | L | 86.5 | Confident | 88.4 | Confident | 99 Ų | 99 | 104.7 Ų | 104.7 | 52% | 0.518 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 176.2 | -76.9 | 167 | 0 | 0 | 0 | 110.8 | M880 C881 E882 C887 Q888 | M880-L884 HydrophobicContact CG-CD1 4.08Å; M880-L884 HydrophobicContact CG-CG 4.49Å; M880-L884 WeakPolarHBondContact O-CB 3.5Å; M880-L884 WeakPolarHBondContact O-CG 3.38Å; M880-L884 PolarHBondContact O-N 2.92Å; C881-L884 PolarHBondContact O-N 2.98Å; E882-L884 PolarHBondContact O-N 3.5Å; L884-C887 PolarHBondContact O-N 3.4Å; L884-Q888 WeakPolarHBondContact O-CB 3.5Å; L884-Q888 PolarHBondContact O-N 3.28Å |
| 885 | A | 86.6 | Confident | 88.2 | Confident | 50 Ų | 50 | 104.4 Ų | 104.4 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | C881 E882 C887 Q888 D889 | C881-A885 WeakPolarHBondContact O-CB 3.35Å; C881-A885 PolarHBondContact O-N 2.71Å; E882-A885 WeakPolarHBondContact O-CB 3.5Å; E882-A885 PolarHBondContact O-N 2.93Å; A885-C887 VanDerWaalsContact C-N 3.33Å; A885-C887 PolarHBondContact O-N 3.49Å; A885-Q888 WeakPolarHBondContact O-CB 3.19Å; A885-Q888 PolarHBondContact O-N 3.33Å; A885-Q888 VanDerWaalsContact O-N 3.15Å; A885-D889 PolarHBondContact O-N 3.28Å |
| 886 | N | 85.3 | Confident | 87.9 | Confident | 96 Ų | 96 | 103 Ų | 103 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -37.8 | 175.6 | -65.2 | -24 | 0 | 0 | 0 | 112.8 | E882 S883 D889 F890 | E882-N886 VanDerWaalsContact O-CG 3.24Å; E882-N886 PolarHBondContact O-N 3.2Å; E882-N886 PolarHBondContact O-ND2 3.16Å; S883-N886 PolarHBondContact O-N 3.31Å; N886-D889 PolarHBondContact O-N 2.92Å; N886-F890 PolarHBondContact O-N 2.86Å |
| 887 | C | 83.6 | Confident | 87.7 | Confident | 71 Ų | 71 | 100.7 Ų | 100.7 | 48% | 0.48 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 174.9 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | S883 L884 A885 F890 L891 | S883-C887 WeakPolarHBondContact O-CB 3.34Å; S883-C887 PolarHBondContact O-N 3.33Å; S883-C887 PolarHBondContact O-SG 3.39Å; L884-C887 PolarHBondContact O-N 3.4Å; A885-C887 VanDerWaalsContact C-N 3.33Å; A885-C887 PolarHBondContact O-N 3.49Å; C887-F890 PolarHBondContact O-N 3.43Å; C887-L891 WeakPolarHBondContact O-CG 3.43Å; C887-L891 PolarHBondContact O-N 3.42Å |
| 888 | Q | 88.1 | Confident | 87.4 | Confident | 134 Ų | 134 | 100.4 Ų | 100.4 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.7 | -46.9 | 174.6 | -167.4 | 89.7 | 22.4 | 0 | 0 | 110.3 | L884 A885 F890 L891 Q892 | L884-Q888 WeakPolarHBondContact O-CB 3.5Å; L884-Q888 PolarHBondContact O-N 3.28Å; A885-Q888 WeakPolarHBondContact O-CB 3.19Å; A885-Q888 PolarHBondContact O-N 3.33Å; A885-Q888 VanDerWaalsContact O-N 3.15Å; Q888-F890 VanDerWaalsContact C-N 3.34Å; Q888-F890 PolarHBondContact O-N 3.15Å; Q888-L891 PolarHBondContact O-N 3.12Å; Q888-Q892 WeakPolarHBondContact O-CB 3.33Å; Q888-Q892 PolarHBondContact O-N 3.4Å |
| 889 | D | 86.1 | Confident | 87.2 | Confident | 96 Ų | 96 | 101.6 Ų | 101.6 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 177.4 | -67.3 | -19.1 | 0 | 0 | 0 | 111.6 | A885 N886 Q892 L893 | A885-D889 PolarHBondContact O-N 3.28Å; N886-D889 PolarHBondContact O-N 2.92Å; D889-Q892 PolarHBondContact O-N 3.11Å; D889-L893 PolarHBondContact O-N 3.18Å |
| 890 | F | 87.3 | Confident | 87.2 | Confident | 126 Ų | 126 | 101.2 Ų | 101.2 | 55% | 0.553 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 176.4 | 179.8 | -97.1 | 0 | 0 | 0 | 112.8 | N886 C887 Q888 Q892 L893 R894 | N886-F890 PolarHBondContact O-N 2.86Å; C887-F890 PolarHBondContact O-N 3.43Å; Q888-F890 VanDerWaalsContact C-N 3.34Å; Q888-F890 PolarHBondContact O-N 3.15Å; F890-Q892 VanDerWaalsContact C-N 3.34Å; F890-L893 WeakPolarHBondContact O-CB 3.46Å; F890-L893 PolarHBondContact O-N 3.35Å; F890-R894 HydrophobicContact CD1-CG 4.2Å; F890-R894 HydrophobicContact CE1-CG 3.74Å; F890-R894 HydrophobicContact CE2-CG 4.35Å; F890-R894 HydrophobicContact CZ-CG 3.83Å; F890-R894 WeakPolarHBondContact O-CG 3.46Å; F890-R894 PolarHBondContact O-N 3.48Å |
| 891 | L | 87.1 | Confident | 87.4 | Confident | 100 Ų | 100 | 101.1 Ų | 101.1 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175.9 | -76 | 171.3 | 0 | 0 | 0 | 110.8 | C887 Q888 L893 R894 E895 | C887-L891 WeakPolarHBondContact O-CG 3.43Å; C887-L891 PolarHBondContact O-N 3.42Å; Q888-L891 PolarHBondContact O-N 3.12Å; L891-L893 VanDerWaalsContact C-N 3.29Å; L891-L893 PolarHBondContact O-N 3.37Å; L891-R894 PolarHBondContact O-N 3.14Å; L891-R894 VanDerWaalsContact O-N 3.14Å; L891-E895 WeakPolarHBondContact O-CB 3.42Å; L891-E895 WeakPolarHBondContact O-CG 3.37Å; L891-E895 PolarHBondContact O-N 3.39Å |
| 892 | Q | 87.4 | Confident | 87.3 | Confident | 105 Ų | 105 | 104.7 Ų | 104.7 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.7 | -39.2 | 177.3 | -166.8 | 174.7 | -4.7 | 0 | 0 | 111.6 | Q888 D889 F890 Q896 | Q888-Q892 WeakPolarHBondContact O-CB 3.33Å; Q888-Q892 PolarHBondContact O-N 3.4Å; D889-Q892 PolarHBondContact O-N 3.11Å; F890-Q892 VanDerWaalsContact C-N 3.34Å; Q892-Q896 WeakPolarHBondContact O-CG 3.48Å; Q892-Q896 PolarHBondContact O-N 3.21Å |
| 893 | L | 90.2 | Very high | 87.2 | Confident | 106 Ų | 106 | 104.5 Ų | 104.5 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -44.4 | 173.4 | -171.7 | 72.8 | 0 | 0 | 0 | 112.2 | D889 F890 L891 Q896 E897 | D889-L893 PolarHBondContact O-N 3.18Å; F890-L893 WeakPolarHBondContact O-CB 3.46Å; F890-L893 PolarHBondContact O-N 3.35Å; L891-L893 VanDerWaalsContact C-N 3.29Å; L891-L893 PolarHBondContact O-N 3.37Å; L893-Q896 PolarHBondContact O-N 3.3Å; L893-E897 WeakPolarHBondContact O-CB 3.48Å; L893-E897 PolarHBondContact O-N 3.31Å |
| 894 | R | 86.3 | Confident | 87.2 | Confident | 135 Ų | 135 | 106.2 Ų | 106.2 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.7 | -36.6 | 178.5 | -69.3 | -68.6 | -83.5 | 178.5 | -12 | 112.5 | F890 L891 E897 H898 | F890-R894 HydrophobicContact CD1-CG 4.2Å; F890-R894 HydrophobicContact CE1-CG 3.74Å; F890-R894 HydrophobicContact CE2-CG 4.35Å; F890-R894 HydrophobicContact CZ-CG 3.83Å; F890-R894 WeakPolarHBondContact O-CG 3.46Å; F890-R894 PolarHBondContact O-N 3.48Å; L891-R894 PolarHBondContact O-N 3.14Å; L891-R894 VanDerWaalsContact O-N 3.14Å; R894-E897 IonicContact CZ-OE2 2.6Å; R894-E897 IonicContact NH1-OE2 3.97Å; R894-E897 PolarHBondContact NH1-OE2 2.96Å; R894-E897 PolarHBondContact O-N 3.36Å; R894-H898 VanDerWaalsContact O-CB 3.31Å; R894-H898 WeakPolarHBondContact O-CB 3.23Å; R894-H898 PolarHBondContact O-N 3.27Å |
| 895 | E | 89.3 | Confident | 86.9 | Confident | 116 Ų | 116 | 106.9 Ų | 106.9 | 54% | 0.542 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 172.2 | -75.5 | 179.5 | 170.4 | 0 | 0 | 110.5 | L891 E897 H898 F899 | L891-E895 WeakPolarHBondContact O-CB 3.42Å; L891-E895 WeakPolarHBondContact O-CG 3.37Å; L891-E895 PolarHBondContact O-N 3.39Å; E895-E897 VanDerWaalsContact C-N 3.32Å; E895-E897 PolarHBondContact O-N 3.03Å; E895-H898 PolarHBondContact O-N 3.44Å; E895-F899 HydrophobicContact CB-CE2 4.39Å; E895-F899 WeakPolarHBondContact O-CD2 3.39Å; E895-F899 PolarHBondContact O-N 3.18Å |
| 896 | Q | 88.3 | Confident | 86.6 | Confident | 119 Ų | 119 | 107 Ų | 107 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -57.8 | -43.3 | 174.3 | -76.3 | -177.6 | -3.5 | 0 | 0 | 112.3 | Q892 L893 F899 R900 | Q892-Q896 WeakPolarHBondContact O-CG 3.48Å; Q892-Q896 PolarHBondContact O-N 3.21Å; L893-Q896 PolarHBondContact O-N 3.3Å; Q896-F899 PolarHBondContact O-N 3.46Å; Q896-R900 WeakPolarHBondContact O-CB 3.48Å; Q896-R900 PolarHBondContact O-N 3.02Å |
| 897 | E | 87.8 | Confident | 86.4 | Confident | 75 Ų | 75 | 106.7 Ų | 106.7 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 178.3 | -168.7 | 175.4 | -149.8 | 0 | 0 | 112.4 | L893 R894 E895 R900 L901 | L893-E897 WeakPolarHBondContact O-CB 3.48Å; L893-E897 PolarHBondContact O-N 3.31Å; R894-E897 IonicContact CZ-OE2 2.6Å; R894-E897 IonicContact NH1-OE2 3.97Å; R894-E897 PolarHBondContact NH1-OE2 2.96Å; R894-E897 PolarHBondContact O-N 3.36Å; E895-E897 VanDerWaalsContact C-N 3.32Å; E895-E897 PolarHBondContact O-N 3.03Å; E897-R900 WeakPolarHBondContact O-CB 3.31Å; E897-R900 PolarHBondContact O-N 3.1Å; E897-L901 HydrophobicContact CG-CD1 4.48Å; E897-L901 WeakPolarHBondContact O-CB 3.14Å; E897-L901 WeakPolarHBondContact O-CG 3.41Å; E897-L901 PolarHBondContact O-N 3.5Å |
| 898 | H | 85.5 | Confident | 86 | Confident | 108 Ų | 108 | 106.5 Ų | 106.5 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 173.4 | 171.5 | -96.8 | 0 | 0 | 0 | 111.3 | R894 E895 R900 L901 K902 | R894-H898 VanDerWaalsContact O-CB 3.31Å; R894-H898 WeakPolarHBondContact O-CB 3.23Å; R894-H898 PolarHBondContact O-N 3.27Å; E895-H898 PolarHBondContact O-N 3.44Å; H898-R900 VanDerWaalsContact C-N 3.33Å; H898-R900 PolarHBondContact O-N 3.22Å; H898-L901 PolarHBondContact O-N 2.83Å; H898-K902 VanDerWaalsContact O-CB 3.22Å; H898-K902 WeakPolarHBondContact O-CB 3.39Å; H898-K902 PolarHBondContact O-N 3.13Å |
| 899 | F | 88.6 | Confident | 85.4 | Confident | 125 Ų | 125 | 104.5 Ų | 104.5 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 174.7 | -76.5 | -62.6 | 0 | 0 | 0 | 111.7 | E895 Q896 K902 L903 | E895-F899 HydrophobicContact CB-CE2 4.39Å; E895-F899 WeakPolarHBondContact O-CD2 3.39Å; E895-F899 PolarHBondContact O-N 3.18Å; Q896-F899 PolarHBondContact O-N 3.46Å; F899-K902 PolarHBondContact O-N 3.39Å; F899-L903 WeakPolarHBondContact O-CB 3.46Å; F899-L903 PolarHBondContact O-N 2.9Å |
| 900 | R | 90.6 | Very high | 84.7 | Confident | 141 Ų | 141 | 107.1 Ų | 107.1 | 53% | 0.532 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -48.5 | 174.5 | -171.2 | -165.9 | 71.1 | 82.9 | -2.1 | 111.8 | Q896 E897 H898 L903 Q904 | Q896-R900 WeakPolarHBondContact O-CB 3.48Å; Q896-R900 PolarHBondContact O-N 3.02Å; E897-R900 WeakPolarHBondContact O-CB 3.31Å; E897-R900 PolarHBondContact O-N 3.1Å; H898-R900 VanDerWaalsContact C-N 3.33Å; H898-R900 PolarHBondContact O-N 3.22Å; R900-L903 PolarHBondContact O-N 3.09Å; R900-Q904 WeakPolarHBondContact O-CB 3.5Å; R900-Q904 PolarHBondContact O-N 3.16Å |
| 901 | L | 87.4 | Confident | 83.6 | Confident | 91 Ų | 91 | 107.9 Ų | 107.9 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 177.5 | -74.3 | 171.7 | 0 | 0 | 0 | 112.1 | E897 H898 L903 Q904 H905 | E897-L901 HydrophobicContact CG-CD1 4.48Å; E897-L901 WeakPolarHBondContact O-CB 3.14Å; E897-L901 WeakPolarHBondContact O-CG 3.41Å; E897-L901 PolarHBondContact O-N 3.5Å; H898-L901 PolarHBondContact O-N 2.83Å; L901-L903 VanDerWaalsContact C-N 3.34Å; L901-Q904 WeakPolarHBondContact O-CB 3.37Å; L901-Q904 PolarHBondContact O-N 2.86Å; L901-H905 WeakPolarHBondContact O-CB 3.47Å; L901-H905 PolarHBondContact O-N 2.99Å |
| 902 | K | 88.7 | Confident | 82.1 | Confident | 127 Ų | 127 | 109.7 Ų | 109.7 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.2 | -39.4 | 175.7 | -167 | 174.6 | -176.1 | 178.2 | 0 | 111.2 | H898 F899 H905 A906 | H898-K902 VanDerWaalsContact O-CB 3.22Å; H898-K902 WeakPolarHBondContact O-CB 3.39Å; H898-K902 PolarHBondContact O-N 3.13Å; F899-K902 PolarHBondContact O-N 3.39Å; K902-H905 PolarHBondContact O-N 3.37Å; K902-A906 VanDerWaalsContact O-CB 3.31Å; K902-A906 WeakPolarHBondContact O-CB 3.42Å; K902-A906 PolarHBondContact O-N 2.98Å |
| 903 | L | 86.5 | Confident | 80.4 | Confident | 122 Ų | 122 | 112.8 Ų | 112.8 | 64% | 0.639 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.5 | -44.6 | 172.5 | -141.1 | 81.2 | 0 | 0 | 0 | 110.9 | F899 R900 L901 H905 A906 L907 | F899-L903 WeakPolarHBondContact O-CB 3.46Å; F899-L903 PolarHBondContact O-N 2.9Å; R900-L903 PolarHBondContact O-N 3.09Å; L901-L903 VanDerWaalsContact C-N 3.34Å; L903-H905 PolarHBondContact O-N 3.31Å; L903-A906 PolarHBondContact O-N 2.84Å; L903-L907 VanDerWaalsContact O-CG 3.3Å; L903-L907 WeakPolarHBondContact O-CG 3.5Å; L903-L907 PolarHBondContact O-N 3.29Å |
| 904 | Q | 83.8 | Confident | 78.6 | Confident | 89 Ų | 89 | 114 Ų | 114 | 42% | 0.416 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 175.5 | -172.1 | 67.5 | 44.8 | 0 | 0 | 111.8 | R900 L901 L907 N908 | R900-Q904 WeakPolarHBondContact O-CB 3.5Å; R900-Q904 PolarHBondContact O-N 3.16Å; L901-Q904 WeakPolarHBondContact O-CB 3.37Å; L901-Q904 PolarHBondContact O-N 2.86Å; Q904-L907 PolarHBondContact O-N 3.47Å; Q904-N908 PolarHBondContact NE2-OD1 3.42Å; Q904-N908 VanDerWaalsContact NE2-OD1 3.07Å; Q904-N908 WeakPolarHBondContact O-CB 3.37Å; Q904-N908 PolarHBondContact O-N 2.96Å; Q904-N908 PolarHBondContact O-OD1 2.91Å; Q904-N908 VanDerWaalsContact O-OD1 3.14Å |
| 905 | H | 80.8 | Confident | 76.6 | Confident | 113 Ų | 113 | 110.6 Ų | 110.6 | 52% | 0.523 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.7 | -41.7 | 176.6 | -174.4 | 1 | 0 | 0 | 0 | 111.4 | L901 K902 L903 L907 N908 L909 | L901-H905 WeakPolarHBondContact O-CB 3.47Å; L901-H905 PolarHBondContact O-N 2.99Å; K902-H905 PolarHBondContact O-N 3.37Å; L903-H905 PolarHBondContact O-N 3.31Å; H905-L907 VanDerWaalsContact C-N 3.31Å; H905-L907 PolarHBondContact O-N 3.41Å; H905-N908 PolarHBondContact O-N 3.45Å; H905-L909 WeakPolarHBondContact CE1-CD1 3.32Å; H905-L909 WeakPolarHBondContact CE1-CG 3.47Å; H905-L909 WeakPolarHBondContact ND1-CG 3.31Å; H905-L909 WeakPolarHBondContact O-CB 3.26Å; H905-L909 WeakPolarHBondContact O-CG 3.49Å; H905-L909 PolarHBondContact O-N 3.07Å |
| 906 | A | 81.1 | Confident | 73.9 | Confident | 51 Ų | 51 | 110.7 Ų | 110.7 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.8 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K902 L903 K910 | K902-A906 VanDerWaalsContact O-CB 3.31Å; K902-A906 WeakPolarHBondContact O-CB 3.42Å; K902-A906 PolarHBondContact O-N 2.98Å; L903-A906 PolarHBondContact O-N 2.84Å; A906-K910 WeakPolarHBondContact O-CG 3.44Å; A906-K910 PolarHBondContact O-N 3.05Å; A906-K910 VanDerWaalsContact O-N 3.09Å |
| 907 | L | 79.5 | Confident | 71.4 | Confident | 91 Ų | 91 | 112.3 Ų | 112.3 | 48% | 0.476 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.5 | -48.8 | 172.2 | -70.1 | 171.6 | 0 | 0 | 0 | 111.3 | L903 Q904 H905 L909 K910 E911 | L903-L907 VanDerWaalsContact O-CG 3.3Å; L903-L907 WeakPolarHBondContact O-CG 3.5Å; L903-L907 PolarHBondContact O-N 3.29Å; Q904-L907 PolarHBondContact O-N 3.47Å; H905-L907 VanDerWaalsContact C-N 3.31Å; H905-L907 PolarHBondContact O-N 3.41Å; L907-L909 VanDerWaalsContact C-N 3.33Å; L907-L909 PolarHBondContact O-N 3.44Å; L907-K910 WeakPolarHBondContact O-CB 3.13Å; L907-K910 PolarHBondContact O-N 2.83Å; L907-K910 VanDerWaalsContact O-N 3.11Å; L907-E911 PolarHBondContact O-N 3.46Å |
| 908 | N | 75.9 | Confident | 68.6 | Low | 66 Ų | 66 | 113.7 Ų | 113.7 | 35% | 0.353 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61 | -37.8 | 177.6 | -65.5 | -0.4 | 0 | 0 | 0 | 112.6 | Q904 H905 E911 L912 | Q904-N908 PolarHBondContact NE2-OD1 3.42Å; Q904-N908 VanDerWaalsContact NE2-OD1 3.07Å; Q904-N908 WeakPolarHBondContact O-CB 3.37Å; Q904-N908 PolarHBondContact O-N 2.96Å; Q904-N908 PolarHBondContact O-OD1 2.91Å; Q904-N908 VanDerWaalsContact O-OD1 3.14Å; H905-N908 PolarHBondContact O-N 3.45Å; N908-E911 PolarHBondContact O-N 3.08Å; N908-L912 WeakPolarHBondContact O-CG 3.37Å; N908-L912 PolarHBondContact O-N 3.24Å |
| 909 | L | 75.6 | Confident | 65.9 | Low | 92 Ų | 92 | 114.5 Ų | 114.5 | 48% | 0.482 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.9 | -39.2 | 174.8 | -79.3 | 172.5 | 0 | 0 | 0 | 111.6 | H905 L907 E911 L912 Q913 | H905-L909 WeakPolarHBondContact CE1-CD1 3.32Å; H905-L909 WeakPolarHBondContact CE1-CG 3.47Å; H905-L909 WeakPolarHBondContact ND1-CG 3.31Å; H905-L909 WeakPolarHBondContact O-CB 3.26Å; H905-L909 WeakPolarHBondContact O-CG 3.49Å; H905-L909 PolarHBondContact O-N 3.07Å; L907-L909 VanDerWaalsContact C-N 3.33Å; L907-L909 PolarHBondContact O-N 3.44Å; L909-E911 VanDerWaalsContact C-N 3.31Å; L909-L912 PolarHBondContact O-N 3.28Å; L909-Q913 WeakPolarHBondContact O-CB 3.37Å; L909-Q913 PolarHBondContact O-N 3.16Å; L909-Q913 VanDerWaalsContact O-N 3.14Å |
| 910 | K | 71.5 | Confident | 63 | Low | 151 Ų | 151 | 114.2 Ų | 114.2 | 66% | 0.657 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.6 | -34.8 | 173.6 | -79.1 | -169.6 | 174.3 | -172 | 0 | 112 | A906 L907 Q913 V914 | A906-K910 WeakPolarHBondContact O-CG 3.44Å; A906-K910 PolarHBondContact O-N 3.05Å; A906-K910 VanDerWaalsContact O-N 3.09Å; L907-K910 WeakPolarHBondContact O-CB 3.13Å; L907-K910 PolarHBondContact O-N 2.83Å; L907-K910 VanDerWaalsContact O-N 3.11Å; K910-Q913 PolarHBondContact O-N 3.32Å; K910-V914 WeakPolarHBondContact O-CG2 3.27Å |
| 911 | E | 63.8 | Low | 60.4 | Low | 143 Ų | 143 | 113.6 Ų | 113.6 | 67% | 0.668 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.3 | -38.9 | 174.8 | -75.3 | 177.3 | 172.2 | 0 | 0 | 112.5 | L907 N908 L909 Q913 | L907-E911 PolarHBondContact O-N 3.46Å; N908-E911 PolarHBondContact O-N 3.08Å; L909-E911 VanDerWaalsContact C-N 3.31Å; E911-Q913 VanDerWaalsContact C-N 3.31Å; E911-Q913 PolarHBondContact O-N 3.41Å |
| 912 | L | 55.4 | Low | 57.8 | Low | 138 Ų | 138 | 113.6 Ų | 113.6 | 72% | 0.723 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.9 | -20.9 | 177 | -70.6 | 168.3 | 0 | 0 | 0 | 113.6 | N908 L909 | N908-L912 WeakPolarHBondContact O-CG 3.37Å; N908-L912 PolarHBondContact O-N 3.24Å; L909-L912 PolarHBondContact O-N 3.28Å |
| 913 | Q | 52.1 | Low | 55.8 | Low | 170 Ų | 170 | 112.9 Ų | 112.9 | 79% | 0.794 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -5.2 | -177.9 | -141.5 | 167.4 | 29.9 | 0 | 0 | 114 | L909 K910 E911 | L909-Q913 WeakPolarHBondContact O-CB 3.37Å; L909-Q913 PolarHBondContact O-N 3.16Å; L909-Q913 VanDerWaalsContact O-N 3.14Å; K910-Q913 PolarHBondContact O-N 3.32Å; E911-Q913 VanDerWaalsContact C-N 3.31Å; E911-Q913 PolarHBondContact O-N 3.41Å |
| 914 | V | 51.6 | Low | 53.2 | Low | 131 Ų | 131 | 111.6 Ų | 111.6 | 79% | 0.794 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -0.8 | -179.4 | 174.5 | 0 | 0 | 0 | 0 | 113.1 | K910 | K910-V914 WeakPolarHBondContact O-CG2 3.27Š|
| 915 | G | 44.5 | Very low | 50.7 | Low | 64 Ų | 64 | 114 Ų | 114 | 66% | 0.66 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -152.7 | 68.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 916 | S | 33.9 | Very low | 48.6 | Very low | 117 Ų | 117 | 115.8 Ų | 115.8 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | trans | 179.9 | 135.3 | 143.8 | -177 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 917 | L | 35.1 | Very low | 46.4 | Very low | 154 Ų | 154 | 120.2 Ų | 120.2 | 81% | 0.806 | 71% | 0.707 | S | S | * | * | trans | -56 | 158.9 | 170 | -92 | 85.4 | 0 | 0 | 0 | 113.7 | ||||
| 918 | C | 29.4 | Very low | 44.1 | Very low | 103 Ų | 103 | 121.5 Ų | 121.5 | 70% | 0.696 | 72% | 0.722 | S | S | * | * | trans | 83.2 | 131.2 | 145.1 | -91.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 919 | T | 27.9 | Very low | 42.2 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 82.5 | 117 | 147.2 | 41.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 920 | C | 28.1 | Very low | 40.2 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 92.2 | 119 | 137 | -67.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 921 | S | 36.2 | Very low | 38.3 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | 80.1 | 110.4 | 135 | -154.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 922 | A | 32.4 | Very low | 36.9 | Very low | 92 Ų | 92 | 134.2 Ų | 134.2 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | trans | -160.8 | 161.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 923 | P | 47 | Very low | 35.9 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | cis | -145.5 | -173.3 | 18 | 39.1 | -17 | 0 | 0 | 0 | 116.4 | ||||
| 924 | S | 32.9 | Very low | 35.2 | Very low | 95 Ų | 95 | 134.6 Ų | 134.6 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | trans | 81.5 | 133.7 | 145.5 | -68.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 925 | D | 31.2 | Very low | 34.4 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | cis | -156 | 142.6 | 9.3 | -74.8 | -40.5 | 0 | 0 | 0 | 107.2 | ||||
| 926 | L | 36.7 | Very low | 33.9 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | 55.3 | 90.6 | 63.9 | -88.1 | 162.5 | 0 | 0 | 0 | 116.4 | |||||
| 927 | N | 33.1 | Very low | 34.3 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | 171.8 | 117.3 | 121.7 | -88.9 | -39 | 0 | 0 | 0 | 110.8 | |||||
| 928 | C | 32.9 | Very low | 34.7 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | 51.5 | 124.8 | 88.7 | -86 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 929 | R | 34.4 | Very low | 35 | Very low | 241 Ų | 241 | 134.4 Ų | 134.4 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | -165 | 139.5 | 54.9 | -172 | 169.6 | -176.6 | 165 | 0.1 | 113 | |||||
| 930 | T | 34.5 | Very low | 36 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 149.7 | 178.3 | -30.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 931 | R | 32.2 | Very low | 36.2 | Very low | 233 Ų | 233 | 140.7 Ų | 140.7 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 133.3 | 178.7 | -159.9 | 176.6 | -147.6 | 148.9 | 2.5 | 112.2 | ||
| 932 | S | 33.4 | Very low | 36.2 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 128.4 | 170.2 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 933 | V | 34.8 | Very low | 36.3 | Very low | 124 Ų | 124 | 143 Ų | 143 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -111.4 | 129.7 | 164.7 | 168.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 934 | Q | 37.2 | Very low | 35.8 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -132.9 | 122.5 | 156.5 | -113.7 | 179 | 1.6 | 0 | 0 | 109.4 | ||||
| 935 | S | 33.9 | Very low | 36 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -85.7 | 143.3 | 178.9 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 936 | A | 34.3 | Very low | 36.4 | Very low | 94 Ų | 94 | 149.1 Ų | 149.1 | 78% | 0.777 | 82% | 0.816 | S | S | * | * | trans | -138.2 | 134.3 | 150.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 937 | P | 42.6 | Very low | 36.6 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | trans | -104.5 | 142.4 | 166.1 | 34.2 | -25.2 | 0 | 0 | 0 | 111.2 | ||||
| 938 | P | 44.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 153 | 167.1 | 34.9 | -28.1 | 0 | 0 | 0 | 112.3 | ||
| 939 | S | 36.1 | Very low | 37.5 | Very low | 114 Ų | 114 | 159.2 Ų | 159.2 | 80% | 0.797 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 153.6 | 172.2 | -46.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 940 | P | 47 | Very low | 37.6 | Very low | 125 Ų | 125 | 155.1 Ų | 155.1 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 136.6 | 160.5 | 25.1 | -11.4 | 0 | 0 | 0 | 112.2 | ||
| 941 | R | 33.6 | Very low | 37.8 | Very low | 252 Ų | 252 | 156.3 Ų | 156.3 | 95% | 0.951 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 134.6 | 170.5 | -69.2 | 177.5 | 170.3 | -169.5 | -3.7 | 110.1 | ||
| 942 | L | 36.1 | Very low | 38.1 | Very low | 160 Ų | 160 | 152 Ų | 152 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 130.4 | 164.4 | -86.3 | 158.5 | 0 | 0 | 0 | 109.8 | ||
| 943 | S | 35 | Very low | 38.4 | Very low | 107 Ų | 107 | 154.3 Ų | 154.3 | 75% | 0.748 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 138.8 | 171.5 | 38 | 0 | 0 | 0 | 0 | 110.8 | ||
| 944 | F | 34.9 | Very low | 38.6 | Very low | 195 Ų | 195 | 156.2 Ų | 156.2 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | trans | -133.9 | 118 | 159.4 | -95 | -82.4 | 0 | 0 | 0 | 110.1 | ||||
| 945 | N | 38.1 | Very low | 38.7 | Very low | 160 Ų | 160 | 153.9 Ų | 153.9 | 86% | 0.856 | 84% | 0.843 | S | S | * | * | trans | -69.9 | 142.1 | 161.6 | -110.4 | -39.1 | 0 | 0 | 0 | 108.7 | ||||
| 946 | T | 39.9 | Very low | 39 | Very low | 121 Ų | 121 | 157.1 Ų | 157.1 | 74% | 0.742 | 85% | 0.849 | S | S | * | * | trans | -148.7 | 113.1 | 154.4 | -25.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 947 | Q | 40.2 | Very low | 39.4 | Very low | 191 Ų | 191 | 162 Ų | 162 | 89% | 0.893 | 86% | 0.855 | S | S | * | * | trans | -59.6 | 129 | 157.6 | -78.3 | 170.6 | -23.6 | 0 | 0 | 108.3 | ||||
| 948 | I | 44.9 | Very low | 39.2 | Very low | 160 Ų | 160 | 165.3 Ų | 165.3 | 82% | 0.821 | 86% | 0.86 | S | S | * | * | trans | -110.9 | 132.7 | 164.5 | -65.7 | 177.1 | 0 | 0 | 0 | 106.8 | ||||
| 949 | K | 39.8 | Very low | 38.7 | Very low | 271 Ų | 271 | 168.7 Ų | 168.7 | 100% | 1.178 | 86% | 0.863 | S | S | * | * | trans | -91.5 | 0 | 172.6 | -151.6 | -178.3 | -169.2 | -177 | 0 | 108.8 |
Retrieved 949 of 949 residues in 859.4 ms
(Link to these results)