| 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 | 33.6 | Very low | 34.3 | Very low | 232 Ų | 232 | 141.6 Ų | 141.6 | 100% | 1.143 | 72% | 0.718 | S | S | * | * | 0 | 76.7 | 0 | -85.3 | -165.1 | 171.2 | 0 | 0 | 105.3 | |||||
| 2 | D | 32.2 | Very low | 34.5 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 87% | 0.866 | 71% | 0.714 | S | S | * | * | trans | -117.8 | 94.7 | -167 | -68.5 | -77.4 | 0 | 0 | 0 | 108 | ||||
| 3 | G | 34.6 | Very low | 34.4 | Very low | 63 Ų | 63 | 133.9 Ų | 133.9 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | trans | -80.7 | 120.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | R5 | G3-R5 PolarHBondContact O-N 2.98Š| ||
| 4 | D | 35.6 | Very low | 34.2 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | 1.3 | 75.9 | 167 | -60.8 | -23 | 0 | 0 | 0 | 116.3 | W6 | D4-W6 PolarHBondContact O-N 3.36Š| ||
| 5 | R | 33.3 | Very low | 34.4 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 54% | 0.543 | 73% | 0.725 | S | S | . | * | trans | -82.3 | 100.4 | 166 | -176.5 | 176.1 | -121.5 | -179.1 | -0.7 | 108.1 | G3 R7 E319 | G3-R5 PolarHBondContact O-N 2.98Å; R5-R7 VanDerWaalsContact C-N 3.34Å; R5-R7 PolarHBondContact O-N 3.36Å; R5-E319 IonicContact NE-OE1 3.88Å; R5-E319 IonicContact NH2-OE1 3.91Å | ||
| 6 | W | 40.9 | Very low | 34.3 | Very low | 203 Ų | 203 | 130.5 Ų | 130.5 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | trans | -68.3 | 94.1 | 167.4 | -73.2 | 87.2 | 0 | 0 | 0 | 109 | D4 | D4-W6 PolarHBondContact O-N 3.36Š| ||
| 7 | R | 35.6 | Very low | 34 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 57% | 0.574 | 73% | 0.728 | S | S | * | * | trans | -97.2 | 117.7 | 163.8 | -129.1 | -169.5 | -78.9 | -123.3 | 10.8 | 106.8 | R5 G9 | R5-R7 VanDerWaalsContact C-N 3.34Å; R5-R7 PolarHBondContact O-N 3.36Å; R7-G9 PolarHBondContact O-N 3.44Å | ||
| 8 | A | 33.7 | Very low | 34.1 | Very low | 61 Ų | 61 | 134.9 Ų | 134.9 | 50% | 0.504 | 73% | 0.734 | S | S | . | * | S | Bend | trans | -70.1 | 81.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 9 | G | 30.1 | Very low | 34 | Very low | 51 Ų | 51 | 136.5 Ų | 136.5 | 53% | 0.526 | 74% | 0.741 | S | S | . | * | trans | 163.5 | 79.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R7 | R7-G9 PolarHBondContact O-N 3.44Š| ||
| 10 | F | 36.7 | Very low | 34 | Very low | 179 Ų | 179 | 138 Ų | 138 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -120.4 | 123.3 | 164.1 | -115 | -92.5 | 0 | 0 | 0 | 107.5 | ||||
| 11 | E | 31.1 | Very low | 34 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 134.6 | 166.1 | -74.1 | 175.2 | 138.4 | 0 | 0 | 109.2 | A13 | E11-A13 PolarHBondContact O-N 3.35Š|
| 12 | P | 36.6 | Very low | 33.9 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -70 | 130.7 | 175 | 27.4 | -30.3 | 0 | 0 | 0 | 109.8 | ||
| 13 | A | 33.5 | Very low | 33.7 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 145.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | E11 I15 | E11-A13 PolarHBondContact O-N 3.35Å; A13-I15 PolarHBondContact O-N 2.97Å |
| 14 | P | 32 | Very low | 33.7 | Very low | 129 Ų | 129 | 144 Ų | 144 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | -67.5 | 111.4 | 179.9 | 28.1 | -31.3 | 0 | 0 | 0 | 108.8 | G16 | P14-G16 PolarHBondContact O-N 3.37Š| ||
| 15 | I | 37.1 | Very low | 33.6 | Very low | 156 Ų | 156 | 144.8 Ų | 144.8 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | trans | -70.8 | 111.7 | 168.3 | -61.1 | 172.5 | 0 | 0 | 0 | 106 | A13 N17 | A13-I15 PolarHBondContact O-N 2.97Å; I15-N17 PolarHBondContact O-N 3.28Å | ||
| 16 | G | 32.4 | Very low | 33.3 | Very low | 62 Ų | 62 | 145.8 Ų | 145.8 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | trans | -57.4 | 131.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P14 E18 | P14-G16 PolarHBondContact O-N 3.37Å; G16-E18 PolarHBondContact O-N 2.87Å; G16-E18 VanDerWaalsContact O-N 3.13Å | ||
| 17 | N | 28.4 | Very low | 33 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | trans | -66.8 | 103.2 | 172.3 | -65.3 | -47.3 | 0 | 0 | 0 | 109 | I15 | I15-N17 PolarHBondContact O-N 3.28Š| ||
| 18 | E | 36 | Very low | 32.8 | Very low | 178 Ų | 178 | 142 Ų | 142 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -129.1 | 140.4 | 155 | -67.5 | -172.6 | 146.1 | 0 | 0 | 106.4 | G16 | G16-E18 PolarHBondContact O-N 2.87Å; G16-E18 VanDerWaalsContact O-N 3.13Å | ||
| 19 | D | 33.5 | Very low | 32.8 | Very low | 165 Ų | 165 | 145 Ų | 145 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | 90.1 | 58.9 | -178.1 | -48.3 | -23.5 | 0 | 0 | 0 | 116.6 | ||||
| 20 | L | 32.7 | Very low | 33 | Very low | 166 Ų | 166 | 148.5 Ų | 148.5 | 87% | 0.869 | 80% | 0.803 | S | S | * | * | trans | -116.9 | 78.5 | 156 | -117.8 | 162.1 | 0 | 0 | 0 | 108.1 | ||||
| 21 | E | 33.7 | Very low | 32.9 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -123.9 | 105.6 | 161.6 | -82.2 | -159 | 161.2 | 0 | 0 | 111.4 | ||||
| 22 | H | 31.7 | Very low | 33 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 58.3 | 99.9 | 132.7 | -87.4 | -92.8 | 0 | 0 | 0 | 119.9 | ||||
| 23 | Y | 29.5 | Very low | 32.9 | Very low | 240 Ų | 240 | 142.5 Ų | 142.5 | 94% | 0.941 | 80% | 0.795 | S | S | * | * | trans | -130.7 | 101.6 | 137.7 | -106.9 | -91 | 0 | 0 | 0 | 108.8 | ||||
| 24 | L | 33.8 | Very low | 33 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -129.1 | 99.6 | 166.6 | -103.3 | 165.6 | 0 | 0 | 0 | 108.3 | ||||
| 25 | I | 33.5 | Very low | 33.1 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | trans | 36 | 117.1 | 136.6 | -52.6 | 175.7 | 0 | 0 | 0 | 117.6 | ||||
| 26 | D | 26.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -54.5 | 132 | 166.9 | -61.7 | -58.9 | 0 | 0 | 0 | 113.4 | ||||
| 27 | A | 34.7 | Very low | 33 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -146.8 | 99.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 28 | E | 32 | Very low | 33 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | 9.1 | 124.2 | 150.5 | -62.2 | -175.1 | 154.9 | 0 | 0 | 121 | ||||
| 29 | T | 33.5 | Very low | 33 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | 81.5 | 115.2 | 129.4 | 58.7 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 30 | S | 34.4 | Very low | 32.7 | Very low | 124 Ų | 124 | 146.2 Ų | 146.2 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | 95.8 | 120.7 | 131.3 | 76 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 31 | G | 33.7 | Very low | 32.7 | Very low | 62 Ų | 62 | 141.7 Ų | 141.7 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | 119.7 | 95.5 | 132.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 32 | H | 34.5 | Very low | 32.7 | Very low | 186 Ų | 186 | 141 Ų | 141 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 65.6 | 147.3 | 143.5 | -63.3 | -63.3 | 0 | 0 | 0 | 119.2 | ||||
| 33 | S | 33.8 | Very low | 32.6 | Very low | 88 Ų | 88 | 140.7 Ų | 140.7 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | cis | 175.1 | 131 | -17.3 | -94.2 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 34 | S | 34.8 | Very low | 32.5 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 68 | 138.1 | 152.1 | -47.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 35 | S | 35.1 | Very low | 32.3 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | cis | -179 | 151 | 38.8 | 25.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 36 | G | 32.1 | Very low | 32 | Very low | 71 Ų | 71 | 137.7 Ų | 137.7 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 20 | 141.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 37 | Q | 35.4 | Very low | 32.3 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | -165 | 149.8 | 59.1 | -92.7 | 169.7 | -46.4 | 0 | 0 | 112.3 | |||||
| 38 | R | 28.8 | Very low | 32.4 | Very low | 195 Ų | 195 | 143.7 Ų | 143.7 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -82.5 | 136.1 | 176.8 | 179.4 | -175.4 | -163.4 | 166.1 | 2.6 | 110.8 | E40 | R38-E40 IonicContact CZ-OE1 2.84Å; R38-E40 IonicContact NE-OE1 3.62Å; R38-E40 PolarHBondContact NE-OE1 3.47Å; R38-E40 IonicContact NH2-OE1 3.25Å; R38-E40 PolarHBondContact NH2-OE1 2.88Å | ||
| 39 | I | 35.5 | Very low | 32.4 | Very low | 171 Ų | 171 | 142 Ų | 142 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -134.2 | 109.6 | 154.2 | -58.6 | -178.5 | 0 | 0 | 0 | 107.7 | ||||
| 40 | E | 27.4 | Very low | 32.4 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | trans | -80.3 | 147.8 | 163.8 | -77.9 | 168.6 | 175.1 | 0 | 0 | 109.3 | R38 | R38-E40 IonicContact CZ-OE1 2.84Å; R38-E40 IonicContact NE-OE1 3.62Å; R38-E40 PolarHBondContact NE-OE1 3.47Å; R38-E40 IonicContact NH2-OE1 3.25Å; R38-E40 PolarHBondContact NH2-OE1 2.88Å | ||
| 41 | G | 32.8 | Very low | 32.4 | Very low | 71 Ų | 71 | 148 Ų | 148 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | -179.9 | 69.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 42 | H | 33.1 | Very low | 32.3 | Very low | 168 Ų | 168 | 154.5 Ų | 154.5 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | trans | 29.9 | 125.4 | 137.8 | -84 | -89 | 0 | 0 | 0 | 122.1 | ||||
| 43 | M | 28.7 | Very low | 31.9 | Very low | 149 Ų | 149 | 150 Ų | 150 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | 64.2 | 124 | 126.9 | -93.5 | 168.3 | 70.7 | 0 | 0 | 121.5 | |||||
| 44 | L | 29.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 153.5 Ų | 153.5 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | trans | 88.7 | 113.8 | 137.7 | -68.1 | 172.1 | 0 | 0 | 0 | 119.5 | ||||
| 45 | T | 28.2 | Very low | 31.3 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | 88.1 | 117.4 | 130 | 55.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 46 | R | 27.4 | Very low | 31.1 | Very low | 230 Ų | 230 | 152.2 Ų | 152.2 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | 83.1 | 148.4 | 133.6 | -76.8 | 177.1 | 162.7 | 160.3 | -4.8 | 118.2 | ||||
| 47 | E | 33.9 | Very low | 30.8 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | 81.3 | 113.9 | -179.6 | -55.4 | -175.9 | 138.1 | 0 | 0 | 113.1 | ||||
| 48 | K | 36.3 | Very low | 30.8 | Very low | 204 Ų | 204 | 152.7 Ų | 152.7 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | -144.1 | 131.8 | 50.2 | -74.7 | 171 | 174.9 | 175.3 | 0 | 112.8 | E50 | K48-E50 PolarHBondContact O-N 3.46Š| |||
| 49 | D | 32.9 | Very low | 30.9 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -53.5 | 123.5 | 155.8 | -74.2 | -71.1 | 0 | 0 | 0 | 110.8 | ||||
| 50 | E | 33.1 | Very low | 30.9 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 90% | 0.897 | 77% | 0.771 | S | S | * | * | trans | -120.1 | 73.4 | 146.4 | -110.8 | -173.2 | 156 | 0 | 0 | 107.6 | K48 K52 | K48-E50 PolarHBondContact O-N 3.46Å; E50-K52 PolarHBondContact O-N 3.1Å | ||
| 51 | K | 34.3 | Very low | 31.1 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -68.9 | 106.4 | 150.9 | -84.8 | -179.9 | 177.2 | 173.2 | 0 | 106.7 | P53 | K51-P53 VanDerWaalsContact O-CD 3.23Å; K51-P53 WeakPolarHBondContact O-CD 3.25Å | ||
| 52 | K | 32 | Very low | 31 | Very low | 200 Ų | 200 | 150.6 Ų | 150.6 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | trans | -97.9 | 100.7 | 159.5 | -158.8 | 175.8 | -169.2 | -178.9 | 0 | 107.8 | E50 | E50-K52 PolarHBondContact O-N 3.1Š| ||
| 53 | P | 26.3 | Very low | 31 | Very low | 92 Ų | 92 | 148.4 Ų | 148.4 | 60% | 0.597 | 78% | 0.779 | S | S | * | * | trans | -95 | 161.5 | 166.2 | 38.9 | -32.1 | 0 | 0 | 0 | 109.8 | K51 | K51-P53 VanDerWaalsContact O-CD 3.23Å; K51-P53 WeakPolarHBondContact O-CD 3.25Å | ||
| 54 | L | 27 | Very low | 31.2 | Very low | 160 Ų | 160 | 150 Ų | 150 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | 78 | 150.1 | 161.7 | -88.9 | 78.7 | 0 | 0 | 0 | 119.6 | ||||
| 55 | C | 29 | Very low | 31.4 | Very low | 111 Ų | 111 | 151.7 Ų | 151.7 | 75% | 0.75 | 79% | 0.794 | S | S | * | * | trans | 89 | 89.2 | 170.1 | -57.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 56 | S | 28.9 | Very low | 31.6 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 66% | 0.657 | 80% | 0.802 | S | S | * | * | 91 | 120.9 | 71.7 | 60.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 57 | E | 27.6 | Very low | 32 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | 57.2 | 92.3 | 145.1 | -63.1 | 171.4 | 168.6 | 0 | 0 | 116.5 | ||||
| 58 | A | 34.7 | Very low | 31.9 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | trans | -116.7 | 59.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 109 | S60 | A58-S60 VanDerWaalsContact C-N 3.34Å; A58-S60 PolarHBondContact O-N 3.35Å | ||
| 59 | T | 30.2 | Very low | 31.8 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -78.6 | 90.4 | 152.9 | 48.8 | 0 | 0 | 0 | 0 | 106.7 | D61 | T59-D61 PolarHBondContact O-N 3.4Š| ||
| 60 | S | 36.3 | Very low | 31.9 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -81.5 | 99.7 | 169.8 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | A58 | A58-S60 VanDerWaalsContact C-N 3.34Å; A58-S60 PolarHBondContact O-N 3.35Å | ||
| 61 | D | 31.7 | Very low | 31.8 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | S | Bend | 58 | 77.1 | 125.9 | -49.3 | -44 | 0 | 0 | 0 | 118.5 | T59 | T59-D61 PolarHBondContact O-N 3.4Š| |
| 62 | H | 30.8 | Very low | 31.9 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -161.7 | 66.5 | 132.4 | -153.2 | -50.4 | 0 | 0 | 0 | 112.9 | ||
| 63 | C | 33.4 | Very low | 32.1 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -172.5 | 69.9 | 154.8 | -107.5 | 0 | 0 | 0 | 0 | 111 | L65 | C63-L65 VanDerWaalsContact C-N 3.34Å; C63-L65 PolarHBondContact O-N 2.83Å | ||
| 64 | Q | 31.3 | Very low | 32.5 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -80.2 | 86.2 | 158.6 | -72.3 | -172.7 | 7.1 | 0 | 0 | 108.7 | ||||
| 65 | L | 34.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -147.2 | 101.8 | 156.8 | -81 | 179 | 0 | 0 | 0 | 109.2 | C63 | C63-L65 VanDerWaalsContact C-N 3.34Å; C63-L65 PolarHBondContact O-N 2.83Å |
| 66 | A | 30.9 | Very low | 33.1 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | 57.7 | 84.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 67 | A | 36 | Very low | 33.5 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -135.7 | 62 | 150 | 0 | 0 | 0 | 0 | 0 | 109.5 | G69 | A67-G69 PolarHBondContact O-N 3.35Š| ||
| 68 | N | 33.1 | Very low | 33.9 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -72.5 | 76.5 | 156.8 | -68.6 | -3.2 | 0 | 0 | 0 | 106.9 | E70 | N68-E70 PolarHBondContact O-N 3.37Š| ||
| 69 | G | 33.5 | Very low | 34.2 | Very low | 72 Ų | 72 | 135.9 Ų | 135.9 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -85.9 | 64.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | A67 | A67-G69 PolarHBondContact O-N 3.35Š| ||
| 70 | E | 35.5 | Very low | 34.4 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -66.3 | 130.5 | 159.1 | -81.1 | -178.9 | 135.4 | 0 | 0 | 107.6 | N68 V72 | N68-E70 PolarHBondContact O-N 3.37Å; E70-V72 PolarHBondContact O-N 2.96Å | ||
| 71 | D | 31.3 | Very low | 34.2 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | trans | -54.7 | 79 | 170.6 | -84.9 | -48.9 | 0 | 0 | 0 | 111 | K73 | D71-K73 PolarHBondContact O-N 3Å; D71-K73 VanDerWaalsContact O-N 3.16Å | ||
| 72 | V | 36.6 | Very low | 34.5 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 67% | 0.673 | 80% | 0.799 | S | S | * | * | trans | -82.3 | 93.8 | 164.1 | -176 | 0 | 0 | 0 | 0 | 106.6 | E70 L74 | E70-V72 PolarHBondContact O-N 2.96Å; V72-L74 VanDerWaalsContact C-N 3.31Å; V72-L74 PolarHBondContact O-N 3.21Å | ||
| 73 | K | 34.4 | Very low | 34.8 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -48 | 100.9 | 155.2 | -91.8 | 177.8 | 175 | 175.1 | 0 | 107.5 | D71 V75 | D71-K73 PolarHBondContact O-N 3Å; D71-K73 VanDerWaalsContact O-N 3.16Å; K73-V75 PolarHBondContact O-N 3.43Å | ||
| 74 | L | 35.9 | Very low | 34.7 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -69.1 | 87 | 167 | -76.4 | 164.8 | 0 | 0 | 0 | 107.5 | V72 | V72-L74 VanDerWaalsContact C-N 3.31Å; V72-L74 PolarHBondContact O-N 3.21Å | ||
| 75 | V | 34.6 | Very low | 35.1 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 67% | 0.667 | 80% | 0.801 | S | S | * | * | trans | -59.6 | 132.4 | 165.7 | 178 | 0 | 0 | 0 | 0 | 107.4 | K73 I77 | K73-V75 PolarHBondContact O-N 3.43Å; V75-I77 PolarHBondContact O-N 3.45Å; V75-I77 VanDerWaalsContact O-N 3.11Å | ||
| 76 | P | 33 | Very low | 35.1 | Very low | 100 Ų | 100 | 141 Ų | 141 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | -63.2 | 115.6 | 174.6 | -12.4 | 26 | 0 | 0 | 0 | 108.5 | I78 | P76-I78 PolarHBondContact O-N 3.01Š| ||
| 77 | I | 37.3 | Very low | 35.8 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | trans | -72.1 | 100.2 | 169 | -59.4 | 175.1 | 0 | 0 | 0 | 106.4 | V75 | V75-I77 PolarHBondContact O-N 3.45Å; V75-I77 VanDerWaalsContact O-N 3.11Å | ||
| 78 | I | 36.4 | Very low | 35.9 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 70% | 0.703 | 80% | 0.8 | S | S | * | * | trans | -75.4 | 122.1 | 161.6 | -58 | 170.1 | 0 | 0 | 0 | 105.4 | P76 E80 | P76-I78 PolarHBondContact O-N 3.01Å; I78-E80 PolarHBondContact O-N 3.01Å | ||
| 79 | P | 40.3 | Very low | 36.1 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -69.9 | 110.3 | 167.3 | -13.9 | 29.4 | 0 | 0 | 0 | 108.2 | ||||
| 80 | E | 36 | Very low | 36.2 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -66.6 | 141.4 | 169.6 | -75.7 | -161 | 150.1 | 0 | 0 | 111.1 | I78 | I78-E80 PolarHBondContact O-N 3.01Š| ||
| 81 | D | 31 | Very low | 36.5 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -51.6 | 130.1 | 172.2 | -67.6 | -60.7 | 0 | 0 | 0 | 112.7 | ||||
| 82 | I | 38.4 | Very low | 37.3 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -135.4 | 132.8 | 161.9 | -56.2 | 179.4 | 0 | 0 | 0 | 109 | ||||
| 83 | P | 36.5 | Very low | 38 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -87.8 | 159 | -156.5 | -2.4 | 23 | 0 | 0 | 0 | 114.8 | ||||
| 84 | E | 32.6 | Very low | 38.8 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -53.3 | 129.8 | 172.6 | -61.6 | 179.1 | 150.4 | 0 | 0 | 113.7 | ||||
| 85 | E | 38.3 | Very low | 39.5 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -133.9 | 101.8 | 149.3 | -90.2 | -164.8 | 158 | 0 | 0 | 110.5 | ||||
| 86 | S | 36.5 | Very low | 40.4 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 16.7 | 116.2 | 132.7 | -53.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 87 | I | 44.4 | Very low | 41.6 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 86% | 0.862 | 77% | 0.771 | S | S | * | * | -154.3 | 109.1 | 127.5 | -81.7 | 126 | 0 | 0 | 0 | 107.7 | |||||
| 88 | L | 38.2 | Very low | 42.8 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | -85.9 | 124.8 | 161.6 | -77.2 | 167.5 | 0 | 0 | 0 | 108.2 | ||||
| 89 | Q | 38.3 | Very low | 44.5 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | trans | -155.5 | 114.6 | 141 | -121.7 | 166.4 | -24 | 0 | 0 | 110.8 | ||||
| 90 | A | 34.8 | Very low | 46.2 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | -52 | 155.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 91 | S | 42.1 | Very low | 48.4 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | 175.5 | 98.8 | 125.9 | -73.3 | 0 | 0 | 0 | 0 | 111.9 | S93 | S91-S93 VanDerWaalsContact C-N 3.25Å; S91-S93 PolarHBondContact O-N 3.48Å; S91-S93 PolarHBondContact O-OG 2.92Å | |||
| 92 | S | 48.5 | Very low | 50.7 | Low | 127 Ų | 127 | 123 Ų | 123 | 89% | 0.888 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 62 | 2.2 | 142 | -48 | 0 | 0 | 0 | 0 | 120.3 | ||
| 93 | S | 49.9 | Very low | 52.8 | Low | 86 Ų | 86 | 120.1 Ų | 120.1 | 60% | 0.601 | 68% | 0.681 | S | S | * | * | trans | -99.9 | -4.5 | 171.8 | -43.8 | 0 | 0 | 0 | 0 | 112.5 | S91 L95 | S91-S93 VanDerWaalsContact C-N 3.25Å; S91-S93 PolarHBondContact O-N 3.48Å; S91-S93 PolarHBondContact O-OG 2.92Å; S93-L95 VanDerWaalsContact C-N 3.33Å; S93-L95 PolarHBondContact O-N 3.31Å | ||
| 94 | D | 51.4 | Low | 55.2 | Low | 92 Ų | 92 | 121.1 Ų | 121.1 | 49% | 0.492 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -72 | -16.8 | -161.8 | -66.8 | -42 | 0 | 0 | 0 | 115 | S98 | D94-S98 VanDerWaalsContact O-CB 3.3Å; D94-S98 WeakPolarHBondContact O-CB 3.5Å; D94-S98 PolarHBondContact O-N 2.91Å; D94-S98 PolarHBondContact O-OG 3.41Å |
| 95 | L | 50.8 | Low | 57.9 | Low | 160 Ų | 160 | 115.3 Ų | 115.3 | 84% | 0.838 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.9 | -30.6 | -178.3 | -80.2 | 165.4 | 0 | 0 | 0 | 113.6 | S93 | S93-L95 VanDerWaalsContact C-N 3.33Å; S93-L95 PolarHBondContact O-N 3.31Å |
| 96 | L | 53.3 | Low | 60.3 | Low | 147 Ų | 147 | 113.5 Ų | 113.5 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -85.1 | -31.7 | 174.2 | -66.8 | 178.6 | 0 | 0 | 0 | 112.1 | S98 D99 A100 | L96-S98 VanDerWaalsContact C-N 3.33Å; L96-D99 PolarHBondContact O-N 3.33Å; L96-A100 PolarHBondContact O-N 3.47Å |
| 97 | V | 58.9 | Low | 63 | Low | 87 Ų | 87 | 111.9 Ų | 111.9 | 53% | 0.527 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.8 | -35.3 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | A100 L101 | V97-A100 PolarHBondContact O-N 2.64Å; V97-L101 WeakPolarHBondContact O-CB 3.49Å; V97-L101 PolarHBondContact O-N 2.98Å |
| 98 | S | 62.7 | Low | 65.3 | Low | 61 Ų | 61 | 107.8 Ų | 107.8 | 43% | 0.427 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.8 | -42.3 | 175.6 | -62.2 | 0 | 0 | 0 | 0 | 112.3 | D94 L96 L101 L102 | D94-S98 VanDerWaalsContact O-CB 3.3Å; D94-S98 WeakPolarHBondContact O-CB 3.5Å; D94-S98 PolarHBondContact O-N 2.91Å; D94-S98 PolarHBondContact O-OG 3.41Å; L96-S98 VanDerWaalsContact C-N 3.33Å; S98-L101 PolarHBondContact O-N 3.25Å; S98-L102 WeakPolarHBondContact O-CB 3.43Å; S98-L102 VanDerWaalsContact O-CG 3.25Å; S98-L102 WeakPolarHBondContact O-CG 3.39Å; S98-L102 PolarHBondContact O-N 3.05Å |
| 99 | D | 70.7 | Confident | 67.9 | Low | 111 Ų | 111 | 105.8 Ų | 105.8 | 59% | 0.594 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -68.1 | -38.9 | -179.6 | -156.1 | 37.3 | 0 | 0 | 0 | 111.5 | L96 L102 E103 | L96-D99 PolarHBondContact O-N 3.33Å; D99-L102 PolarHBondContact O-N 2.86Å; D99-E103 PolarHBondContact O-N 3.16Å |
| 100 | A | 76.2 | Confident | 70.5 | Confident | 54 Ų | 54 | 99.5 Ų | 99.5 | 45% | 0.446 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.4 | -32.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L96 V97 K104 | L96-A100 PolarHBondContact O-N 3.47Å; V97-A100 PolarHBondContact O-N 2.64Å; A100-K104 WeakPolarHBondContact O-CG 3.26Å; A100-K104 PolarHBondContact O-N 2.82Å; A100-K104 VanDerWaalsContact O-N 3.14Å |
| 101 | L | 82.4 | Confident | 73.3 | Confident | 102 Ų | 102 | 100.3 Ų | 100.3 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.1 | -46.8 | 173.9 | -166.9 | 93.8 | 0 | 0 | 0 | 110.5 | V97 S98 E103 K104 D105 | V97-L101 WeakPolarHBondContact O-CB 3.49Å; V97-L101 PolarHBondContact O-N 2.98Å; S98-L101 PolarHBondContact O-N 3.25Å; L101-E103 VanDerWaalsContact C-N 3.28Å; L101-E103 PolarHBondContact O-N 3.32Å; L101-K104 WeakPolarHBondContact O-CB 3.39Å; L101-K104 PolarHBondContact O-N 3.34Å; L101-K104 VanDerWaalsContact O-N 3.1Å; L101-D105 PolarHBondContact O-N 2.93Å |
| 102 | L | 80.7 | Confident | 75.8 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.6 | -37.9 | 177 | -71.7 | 174.2 | 0 | 0 | 0 | 112 | S98 D99 D105 R106 | S98-L102 WeakPolarHBondContact O-CB 3.43Å; S98-L102 VanDerWaalsContact O-CG 3.25Å; S98-L102 WeakPolarHBondContact O-CG 3.39Å; S98-L102 PolarHBondContact O-N 3.05Å; D99-L102 PolarHBondContact O-N 2.86Å; L102-D105 PolarHBondContact O-N 3.33Å; L102-R106 VanDerWaalsContact O-CG 3.26Å; L102-R106 WeakPolarHBondContact O-CG 3.32Å; L102-R106 PolarHBondContact O-N 3.21Å |
| 103 | E | 82.2 | Confident | 78 | Confident | 98 Ų | 98 | 100.9 Ų | 100.9 | 46% | 0.458 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.7 | -36.9 | 175.5 | -166.6 | 59 | -157 | 0 | 0 | 112.1 | D99 L101 R106 V107 | D99-E103 PolarHBondContact O-N 3.16Å; L101-E103 VanDerWaalsContact C-N 3.28Å; L101-E103 PolarHBondContact O-N 3.32Å; E103-R106 PolarHBondContact O-N 2.99Å; E103-R106 IonicContact OE2-NH1 3.36Å; E103-R106 PolarHBondContact OE2-NH1 3.48Å; E103-V107 WeakPolarHBondContact O-CG2 3.36Å; E103-V107 PolarHBondContact O-N 3.07Å |
| 104 | K | 86 | Confident | 80.1 | Confident | 141 Ų | 141 | 102.2 Ų | 102.2 | 61% | 0.613 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63 | -44.5 | 172 | -76.9 | 175.3 | -179.4 | 173.1 | 0 | 111.7 | A100 L101 R106 V107 I108 | A100-K104 WeakPolarHBondContact O-CG 3.26Å; A100-K104 PolarHBondContact O-N 2.82Å; A100-K104 VanDerWaalsContact O-N 3.14Å; L101-K104 WeakPolarHBondContact O-CB 3.39Å; L101-K104 PolarHBondContact O-N 3.34Å; L101-K104 VanDerWaalsContact O-N 3.1Å; K104-R106 VanDerWaalsContact C-N 3.33Å; K104-R106 PolarHBondContact O-N 3.31Å; K104-V107 PolarHBondContact O-N 3.25Å; K104-I108 WeakPolarHBondContact O-CB 3.45Å; K104-I108 WeakPolarHBondContact O-CD1 3.45Å; K104-I108 WeakPolarHBondContact O-CG1 3.3Å; K104-I108 PolarHBondContact O-N 3.02Å |
| 105 | D | 89.8 | Confident | 82.2 | Confident | 69 Ų | 69 | 103.3 Ų | 103.3 | 37% | 0.369 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 178.4 | -68 | -25.4 | 0 | 0 | 0 | 111 | L101 L102 V107 I108 E109 | L101-D105 PolarHBondContact O-N 2.93Å; L102-D105 PolarHBondContact O-N 3.33Å; D105-V107 PolarHBondContact O-N 2.67Å; D105-I108 PolarHBondContact O-N 3.49Å; D105-E109 WeakPolarHBondContact O-CB 3.01Å; D105-E109 WeakPolarHBondContact O-CG 3.48Å; D105-E109 PolarHBondContact O-N 2.97Å |
| 106 | R | 89.6 | Confident | 84.4 | Confident | 152 Ų | 152 | 100 Ų | 100 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.9 | -43.2 | 173 | -73.6 | 171 | 180 | 179.2 | 2.4 | 113.3 | L102 E103 K104 S110 | L102-R106 VanDerWaalsContact O-CG 3.26Å; L102-R106 WeakPolarHBondContact O-CG 3.32Å; L102-R106 PolarHBondContact O-N 3.21Å; E103-R106 PolarHBondContact O-N 2.99Å; E103-R106 IonicContact OE2-NH1 3.36Å; E103-R106 PolarHBondContact OE2-NH1 3.48Å; K104-R106 VanDerWaalsContact C-N 3.33Å; K104-R106 PolarHBondContact O-N 3.31Å; R106-S110 WeakPolarHBondContact O-CB 3.35Å; R106-S110 PolarHBondContact O-N 3.39Å |
| 107 | V | 92.4 | Very high | 86.4 | Confident | 73 Ų | 73 | 97 Ų | 97 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 177.2 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | E103 K104 D105 S110 L111 | E103-V107 WeakPolarHBondContact O-CG2 3.36Å; E103-V107 PolarHBondContact O-N 3.07Å; K104-V107 PolarHBondContact O-N 3.25Å; D105-V107 PolarHBondContact O-N 2.67Å; V107-S110 PolarHBondContact O-N 3.24Å; V107-L111 HydrophobicContact CG1-CD1 3.95Å; V107-L111 HydrophobicContact CG1-CG 4.36Å; V107-L111 WeakPolarHBondContact O-CB 3.48Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.22Å; V107-L111 PolarHBondContact O-N 3.38Å |
| 108 | I | 92 | Very high | 88.1 | Confident | 82 Ų | 82 | 95.7 Ų | 95.7 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -48 | 176.7 | -69.5 | 163.9 | 0 | 0 | 0 | 110.4 | K104 D105 S110 L111 Q112 | K104-I108 WeakPolarHBondContact O-CB 3.45Å; K104-I108 WeakPolarHBondContact O-CD1 3.45Å; K104-I108 WeakPolarHBondContact O-CG1 3.3Å; K104-I108 PolarHBondContact O-N 3.02Å; D105-I108 PolarHBondContact O-N 3.49Å; I108-S110 VanDerWaalsContact C-N 3.33Å; I108-S110 PolarHBondContact O-N 3.03Å; I108-L111 PolarHBondContact O-N 2.94Å; I108-Q112 HydrophobicContact CG2-CG 4.36Å; I108-Q112 WeakPolarHBondContact O-CB 3.18Å; I108-Q112 VanDerWaalsContact O-CG 3.26Å; I108-Q112 WeakPolarHBondContact O-CG 3.4Å; I108-Q112 PolarHBondContact O-N 2.93Å |
| 109 | E | 92.4 | Very high | 89.7 | Confident | 128 Ų | 128 | 101.3 Ų | 101.3 | 60% | 0.598 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.5 | -42.7 | 176.2 | -75.4 | 179.3 | -177.9 | 0 | 0 | 111.8 | D105 Q112 L113 | D105-E109 WeakPolarHBondContact O-CB 3.01Å; D105-E109 WeakPolarHBondContact O-CG 3.48Å; D105-E109 PolarHBondContact O-N 2.97Å; E109-Q112 PolarHBondContact O-N 3.42Å; E109-L113 WeakPolarHBondContact O-CB 3.46Å; E109-L113 PolarHBondContact O-N 3.4Å |
| 110 | S | 92.8 | Very high | 90.9 | Very high | 58 Ų | 58 | 101.8 Ų | 101.8 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 112.2 | R106 V107 I108 L113 Q114 | R106-S110 WeakPolarHBondContact O-CB 3.35Å; R106-S110 PolarHBondContact O-N 3.39Å; V107-S110 PolarHBondContact O-N 3.24Å; I108-S110 VanDerWaalsContact C-N 3.33Å; I108-S110 PolarHBondContact O-N 3.03Å; S110-L113 PolarHBondContact O-N 2.99Å; S110-Q114 WeakPolarHBondContact O-CG 3.4Å; S110-Q114 PolarHBondContact O-N 2.96Å; S110-Q114 PolarHBondContact OG-NE2 2.92Å |
| 111 | L | 94.3 | Very high | 91.8 | Very high | 99 Ų | 99 | 104.5 Ų | 104.5 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 177.1 | -73.3 | 172.5 | 0 | 0 | 0 | 112.1 | V107 I108 Q114 L115 | V107-L111 HydrophobicContact CG1-CD1 3.95Å; V107-L111 HydrophobicContact CG1-CG 4.36Å; V107-L111 WeakPolarHBondContact O-CB 3.48Å; V107-L111 VanDerWaalsContact O-CG 3.3Å; V107-L111 WeakPolarHBondContact O-CG 3.22Å; V107-L111 PolarHBondContact O-N 3.38Å; I108-L111 PolarHBondContact O-N 2.94Å; L111-Q114 PolarHBondContact O-N 2.85Å; L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 3.24Å |
| 112 | Q | 94.5 | Very high | 92.4 | Very high | 122 Ų | 122 | 104.1 Ų | 104.1 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 174.2 | -74.7 | 174.1 | -7.9 | 0 | 0 | 111.4 | I108 E109 L115 L116 | I108-Q112 HydrophobicContact CG2-CG 4.36Å; I108-Q112 WeakPolarHBondContact O-CB 3.18Å; I108-Q112 VanDerWaalsContact O-CG 3.26Å; I108-Q112 WeakPolarHBondContact O-CG 3.4Å; I108-Q112 PolarHBondContact O-N 2.93Å; E109-Q112 PolarHBondContact O-N 3.42Å; Q112-L115 PolarHBondContact O-N 3.42Å; Q112-L116 WeakPolarHBondContact O-CB 3.26Å; Q112-L116 PolarHBondContact O-N 2.86Å |
| 113 | L | 95.1 | Very high | 93 | Very high | 105 Ų | 105 | 103.5 Ų | 103.5 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 176.4 | -173.1 | 65.1 | 0 | 0 | 0 | 111.8 | E109 S110 L116 N117 | E109-L113 WeakPolarHBondContact O-CB 3.46Å; E109-L113 PolarHBondContact O-N 3.4Å; S110-L113 PolarHBondContact O-N 2.99Å; L113-L116 PolarHBondContact O-N 3.38Å; L113-N117 PolarHBondContact O-N 2.9Å; L113-N117 PolarHBondContact O-ND2 3.36Å |
| 114 | Q | 94.7 | Very high | 93.7 | Very high | 114 Ų | 114 | 100.9 Ų | 100.9 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 175.6 | -72.8 | 177.8 | 40.9 | 0 | 0 | 112.2 | S110 L111 N117 A118 | S110-Q114 WeakPolarHBondContact O-CG 3.4Å; S110-Q114 PolarHBondContact O-N 2.96Å; S110-Q114 PolarHBondContact OG-NE2 2.92Å; L111-Q114 PolarHBondContact O-N 2.85Å; Q114-N117 PolarHBondContact O-N 3.49Å; Q114-A118 WeakPolarHBondContact O-CB 3.44Å; Q114-A118 PolarHBondContact O-N 3.14Å |
| 115 | L | 94.9 | Very high | 94.1 | Very high | 116 Ų | 116 | 100 Ų | 100 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 176 | -166.3 | 165.4 | 0 | 0 | 0 | 111 | L111 Q112 A118 R119 | L111-L115 WeakPolarHBondContact O-CB 3.49Å; L111-L115 PolarHBondContact O-N 3.24Å; Q112-L115 PolarHBondContact O-N 3.42Å; L115-A118 PolarHBondContact O-N 3.4Å; L115-R119 WeakPolarHBondContact O-CB 3.36Å; L115-R119 PolarHBondContact O-N 3.29Å |
| 116 | L | 96.1 | Very high | 94.3 | Very high | 89 Ų | 89 | 104.1 Ų | 104.1 | 47% | 0.466 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 176.8 | -166.3 | 161.7 | 0 | 0 | 0 | 111.3 | Q112 L113 R119 Q120 | Q112-L116 WeakPolarHBondContact O-CB 3.26Å; Q112-L116 PolarHBondContact O-N 2.86Å; L113-L116 PolarHBondContact O-N 3.38Å; L116-R119 PolarHBondContact O-N 3.29Å; L116-Q120 HydrophobicContact CD2-CG 4.13Å; L116-Q120 VanDerWaalsContact CD2-NE2 3.25Å; L116-Q120 PolarHBondContact O-N 2.89Å |
| 117 | N | 95.8 | Very high | 94.6 | Very high | 86 Ų | 86 | 102.1 Ų | 102.1 | 46% | 0.46 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 176.5 | -72.4 | -20.1 | 0 | 0 | 0 | 111.9 | L113 Q114 R119 Q120 E121 | L113-N117 PolarHBondContact O-N 2.9Å; L113-N117 PolarHBondContact O-ND2 3.36Å; Q114-N117 PolarHBondContact O-N 3.49Å; N117-R119 VanDerWaalsContact C-N 3.31Å; N117-R119 PolarHBondContact O-N 2.9Å; N117-Q120 PolarHBondContact O-N 3.28Å; N117-E121 PolarHBondContact O-N 3.49Å |
| 118 | A | 95.1 | Very high | 94.7 | Very high | 59 Ų | 59 | 104.1 Ų | 104.1 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -38.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q114 L115 E121 L122 | Q114-A118 WeakPolarHBondContact O-CB 3.44Å; Q114-A118 PolarHBondContact O-N 3.14Å; L115-A118 PolarHBondContact O-N 3.4Å; A118-E121 PolarHBondContact O-N 2.84Å; A118-L122 VanDerWaalsContact O-CB 3.31Å; A118-L122 WeakPolarHBondContact O-CB 3.38Å; A118-L122 PolarHBondContact O-N 3.45Å |
| 119 | R | 96.3 | Very high | 94.8 | Very high | 178 Ų | 178 | 103.7 Ų | 103.7 | 67% | 0.672 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.4 | -38.9 | 176.5 | -172.2 | 175.8 | 178.5 | 169.4 | 0.2 | 112.4 | L115 L116 N117 S123 | L115-R119 WeakPolarHBondContact O-CB 3.36Å; L115-R119 PolarHBondContact O-N 3.29Å; L116-R119 PolarHBondContact O-N 3.29Å; N117-R119 VanDerWaalsContact C-N 3.31Å; N117-R119 PolarHBondContact O-N 2.9Å; R119-S123 WeakPolarHBondContact O-CB 3.45Å; R119-S123 PolarHBondContact O-N 3.45Å |
| 120 | Q | 95.7 | Very high | 95 | Very high | 121 Ų | 121 | 100 Ų | 100 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.5 | -43.6 | 174.2 | -72.4 | -177.1 | 1.5 | 0 | 0 | 111.8 | L116 N117 S123 A124 | L116-Q120 HydrophobicContact CD2-CG 4.13Å; L116-Q120 VanDerWaalsContact CD2-NE2 3.25Å; L116-Q120 PolarHBondContact O-N 2.89Å; N117-Q120 PolarHBondContact O-N 3.28Å; Q120-S123 WeakPolarHBondContact O-CB 3.44Å; Q120-S123 PolarHBondContact O-N 2.91Å; Q120-A124 PolarHBondContact O-N 3.17Å |
| 121 | E | 94.7 | Very high | 95.2 | Very high | 112 Ų | 112 | 103.1 Ų | 103.1 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 177.7 | -171.3 | 176 | -177.3 | 0 | 0 | 111.4 | N117 A118 S123 A124 Y125 | N117-E121 PolarHBondContact O-N 3.49Å; A118-E121 PolarHBondContact O-N 2.84Å; E121-S123 VanDerWaalsContact C-N 3.33Å; E121-S123 PolarHBondContact O-N 2.92Å; E121-A124 PolarHBondContact O-N 3.14Å; E121-Y125 HydrophobicContact CG-CD2 3.85Å; E121-Y125 HydrophobicContact CG-CE2 3.49Å; E121-Y125 VanDerWaalsContact CG-CE2 3.49Å; E121-Y125 WeakPolarHBondContact O-CD2 3.19Å; E121-Y125 PolarHBondContact O-N 3.48Å; E121-Y125 WeakPolarHBondContact OE1-CE2 3.4Å; E121-Y125 PolarHBondContact OE1-OH 2.85Å |
| 122 | L | 95.7 | Very high | 95.3 | Very high | 93 Ų | 93 | 103.8 Ų | 103.8 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 174.4 | -166.4 | 82.6 | 0 | 0 | 0 | 111.6 | A118 A124 Y125 Y126 | A118-L122 VanDerWaalsContact O-CB 3.31Å; A118-L122 WeakPolarHBondContact O-CB 3.38Å; A118-L122 PolarHBondContact O-N 3.45Å; L122-A124 PolarHBondContact O-N 3.48Å; L122-Y125 PolarHBondContact O-N 2.87Å; L122-Y126 HydrophobicContact CD1-CE2 4.24Å; L122-Y126 HydrophobicContact CD2-CD2 4.27Å; L122-Y126 HydrophobicContact CD2-CE2 3.47Å; L122-Y126 VanDerWaalsContact CD2-CE2 3.47Å; L122-Y126 HydrophobicContact CG-CD2 3.92Å; L122-Y126 HydrophobicContact CG-CE2 3.46Å; L122-Y126 VanDerWaalsContact CG-CE2 3.46Å; L122-Y126 WeakPolarHBondContact O-CD2 3.48Å; L122-Y126 PolarHBondContact O-N 2.93Å |
| 123 | S | 94 | Very high | 95.3 | Very high | 79 Ų | 79 | 104.3 Ų | 104.3 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.2 | -43.1 | 175.4 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | R119 Q120 E121 Y125 Y126 E127 | R119-S123 WeakPolarHBondContact O-CB 3.45Å; R119-S123 PolarHBondContact O-N 3.45Å; Q120-S123 WeakPolarHBondContact O-CB 3.44Å; Q120-S123 PolarHBondContact O-N 2.91Å; E121-S123 VanDerWaalsContact C-N 3.33Å; E121-S123 PolarHBondContact O-N 2.92Å; S123-Y125 VanDerWaalsContact C-N 3.35Å; S123-Y125 PolarHBondContact O-N 3.24Å; S123-Y126 PolarHBondContact O-N 3.11Å; S123-E127 PolarHBondContact O-N 3.02Å; S123-E127 VanDerWaalsContact O-N 3.07Å |
| 124 | A | 95.2 | Very high | 95.5 | Very high | 42 Ų | 42 | 106.9 Ų | 106.9 | 35% | 0.347 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q120 E121 L122 K128 | Q120-A124 PolarHBondContact O-N 3.17Å; E121-A124 PolarHBondContact O-N 3.14Å; L122-A124 PolarHBondContact O-N 3.48Å; A124-K128 WeakPolarHBondContact O-CG 3.47Å; A124-K128 PolarHBondContact O-N 3.22Å |
| 125 | Y | 94.8 | Very high | 95.5 | Very high | 123 Ų | 123 | 107.4 Ų | 107.4 | 48% | 0.482 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.4 | -41.8 | 172.6 | -78.6 | -64.7 | 0 | 0 | 0 | 112.5 | E121 L122 S123 E127 K128 C129 | E121-Y125 HydrophobicContact CG-CD2 3.85Å; E121-Y125 HydrophobicContact CG-CE2 3.49Å; E121-Y125 VanDerWaalsContact CG-CE2 3.49Å; E121-Y125 WeakPolarHBondContact O-CD2 3.19Å; E121-Y125 PolarHBondContact O-N 3.48Å; E121-Y125 WeakPolarHBondContact OE1-CE2 3.4Å; E121-Y125 PolarHBondContact OE1-OH 2.85Å; L122-Y125 PolarHBondContact O-N 2.87Å; S123-Y125 VanDerWaalsContact C-N 3.35Å; S123-Y125 PolarHBondContact O-N 3.24Å; Y125-E127 VanDerWaalsContact C-N 3.31Å; Y125-E127 PolarHBondContact O-N 3.5Å; Y125-K128 HydrophobicContact CD1-CD 4.4Å; Y125-K128 WeakPolarHBondContact O-CB 3.21Å; Y125-K128 PolarHBondContact O-N 3.03Å; Y125-K128 VanDerWaalsContact O-N 3.17Å; Y125-C129 PolarHBondContact O-N 3.13Å; Y125-C129 PolarHBondContact O-SG 3.34Å |
| 126 | Y | 94.5 | Very high | 95.6 | Very high | 155 Ų | 155 | 107.4 Ų | 107.4 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -59.9 | -39.5 | 175.3 | -78.7 | -56.7 | 0 | 0 | 0 | 112.3 | L122 S123 C129 A130 | L122-Y126 HydrophobicContact CD1-CE2 4.24Å; L122-Y126 HydrophobicContact CD2-CD2 4.27Å; L122-Y126 HydrophobicContact CD2-CE2 3.47Å; L122-Y126 VanDerWaalsContact CD2-CE2 3.47Å; L122-Y126 HydrophobicContact CG-CD2 3.92Å; L122-Y126 HydrophobicContact CG-CE2 3.46Å; L122-Y126 VanDerWaalsContact CG-CE2 3.46Å; L122-Y126 WeakPolarHBondContact O-CD2 3.48Å; L122-Y126 PolarHBondContact O-N 2.93Å; S123-Y126 PolarHBondContact O-N 3.11Å; Y126-C129 PolarHBondContact O-N 3.4Å; Y126-A130 WeakPolarHBondContact O-CB 3.33Å; Y126-A130 PolarHBondContact O-N 2.89Å |
| 127 | E | 95 | Very high | 95.6 | Very high | 111 Ų | 111 | 107.7 Ų | 107.7 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.5 | -163.3 | -165.3 | 151.7 | 0 | 0 | 112 | S123 Y125 A130 K131 | S123-E127 PolarHBondContact O-N 3.02Å; S123-E127 VanDerWaalsContact O-N 3.07Å; Y125-E127 VanDerWaalsContact C-N 3.31Å; Y125-E127 PolarHBondContact O-N 3.5Å; E127-A130 PolarHBondContact O-N 3.45Å; E127-K131 WeakPolarHBondContact O-CG 3.33Å; E127-K131 PolarHBondContact O-N 3.17Å; E127-K131 WeakPolarHBondContact OE1-CE 3.3Å; E127-K131 IonicContact OE1-NZ 2.67Å; E127-K131 PolarHBondContact OE1-NZ 3.26Å |
| 128 | K | 95 | Very high | 95.6 | Very high | 114 Ų | 114 | 106.8 Ų | 106.8 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 174.3 | -70.7 | 170.2 | -172.8 | 168.8 | 0 | 111.6 | A124 Y125 A130 K131 L132 | A124-K128 WeakPolarHBondContact O-CG 3.47Å; A124-K128 PolarHBondContact O-N 3.22Å; Y125-K128 HydrophobicContact CD1-CD 4.4Å; Y125-K128 WeakPolarHBondContact O-CB 3.21Å; Y125-K128 PolarHBondContact O-N 3.03Å; Y125-K128 VanDerWaalsContact O-N 3.17Å; K128-A130 VanDerWaalsContact C-N 3.31Å; K128-A130 PolarHBondContact O-N 3.37Å; K128-K131 PolarHBondContact O-N 3.21Å; K128-L132 WeakPolarHBondContact O-CG 3.36Å; K128-L132 PolarHBondContact O-N 3.43Å |
| 129 | C | 94.1 | Very high | 95.8 | Very high | 74 Ų | 74 | 107 Ų | 107 | 50% | 0.5 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 176 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | Y125 Y126 K131 L132 K133 | Y125-C129 PolarHBondContact O-N 3.13Å; Y125-C129 PolarHBondContact O-SG 3.34Å; Y126-C129 PolarHBondContact O-N 3.4Å; C129-K131 PolarHBondContact O-N 3.39Å; C129-L132 PolarHBondContact O-N 3.31Å; C129-K133 WeakPolarHBondContact O-CB 2.97Å; C129-K133 PolarHBondContact O-N 2.92Å |
| 130 | A | 96.3 | Very high | 95.7 | Very high | 50 Ų | 50 | 101.5 Ų | 101.5 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y126 E127 K128 K134 | Y126-A130 WeakPolarHBondContact O-CB 3.33Å; Y126-A130 PolarHBondContact O-N 2.89Å; E127-A130 PolarHBondContact O-N 3.45Å; K128-A130 VanDerWaalsContact C-N 3.31Å; K128-A130 PolarHBondContact O-N 3.37Å; A130-K134 WeakPolarHBondContact O-CG 3.34Å; A130-K134 PolarHBondContact O-N 2.87Å; A130-K134 VanDerWaalsContact O-N 3.13Å |
| 131 | K | 97.1 | Very high | 95.7 | Very high | 123 Ų | 123 | 97.2 Ų | 97.2 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 174.4 | -72.3 | 172.3 | -174.3 | 167.8 | 0 | 112.1 | E127 K128 C129 K134 M135 | E127-K131 WeakPolarHBondContact O-CG 3.33Å; E127-K131 PolarHBondContact O-N 3.17Å; E127-K131 WeakPolarHBondContact OE1-CE 3.3Å; E127-K131 IonicContact OE1-NZ 2.67Å; E127-K131 PolarHBondContact OE1-NZ 3.26Å; K128-K131 PolarHBondContact O-N 3.21Å; C129-K131 PolarHBondContact O-N 3.39Å; K131-K134 PolarHBondContact O-N 2.87Å; K131-M135 PolarHBondContact O-N 3.24Å; K131-M135 VanDerWaalsContact O-N 3.14Å |
| 132 | L | 96.4 | Very high | 95.8 | Very high | 113 Ų | 113 | 97.8 Ų | 97.8 | 59% | 0.592 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.7 | -40.2 | 177.2 | -72.1 | 174 | 0 | 0 | 0 | 112 | K128 C129 M135 Q136 | K128-L132 WeakPolarHBondContact O-CG 3.36Å; K128-L132 PolarHBondContact O-N 3.43Å; C129-L132 PolarHBondContact O-N 3.31Å; L132-M135 PolarHBondContact O-N 3.14Å; L132-Q136 WeakPolarHBondContact O-CB 3.1Å; L132-Q136 PolarHBondContact O-N 3.03Å |
| 133 | K | 96.1 | Very high | 95.8 | Very high | 133 Ų | 133 | 97.6 Ų | 97.6 | 58% | 0.578 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 176.4 | -170.6 | 169 | -176.4 | 173.1 | 0 | 111.9 | C129 M135 Q136 D137 | C129-K133 WeakPolarHBondContact O-CB 2.97Å; C129-K133 PolarHBondContact O-N 2.92Å; K133-M135 VanDerWaalsContact C-N 3.32Å; K133-M135 PolarHBondContact O-N 3.48Å; K133-Q136 WeakPolarHBondContact O-CB 3.22Å; K133-Q136 PolarHBondContact O-N 3.47Å; K133-D137 PolarHBondContact O-N 3.48Å |
| 134 | K | 97.3 | Very high | 95.9 | Very high | 159 Ų | 159 | 100.4 Ų | 100.4 | 69% | 0.691 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.9 | -40.4 | 173.8 | -71.4 | 179.4 | -178.7 | -175.1 | 0 | 113 | A130 K131 S138 | A130-K134 WeakPolarHBondContact O-CG 3.34Å; A130-K134 PolarHBondContact O-N 2.87Å; A130-K134 VanDerWaalsContact O-N 3.13Å; K131-K134 PolarHBondContact O-N 2.87Å; K134-S138 WeakPolarHBondContact O-CB 3.39Å; K134-S138 PolarHBondContact O-N 3.04Å; K134-S138 VanDerWaalsContact O-N 3.13Å |
| 135 | M | 95.7 | Very high | 95.9 | Very high | 125 Ų | 125 | 105.4 Ų | 105.4 | 62% | 0.616 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.3 | -38.6 | 176.7 | -173.8 | 178.8 | -65.6 | 0 | 0 | 111.4 | K131 L132 K133 S138 V139 | K131-M135 PolarHBondContact O-N 3.24Å; K131-M135 VanDerWaalsContact O-N 3.14Å; L132-M135 PolarHBondContact O-N 3.14Å; K133-M135 VanDerWaalsContact C-N 3.32Å; K133-M135 PolarHBondContact O-N 3.48Å; M135-S138 PolarHBondContact O-N 2.98Å; M135-V139 WeakPolarHBondContact O-CG2 3.45Å; M135-V139 PolarHBondContact O-N 3.44Å |
| 136 | Q | 96.2 | Very high | 96 | Very high | 117 Ų | 117 | 104.6 Ų | 104.6 | 55% | 0.547 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -52.3 | 174.2 | 178.5 | -179.9 | 1.2 | 0 | 0 | 110.9 | L132 K133 S138 V139 D140 | L132-Q136 WeakPolarHBondContact O-CB 3.1Å; L132-Q136 PolarHBondContact O-N 3.03Å; K133-Q136 WeakPolarHBondContact O-CB 3.22Å; K133-Q136 PolarHBondContact O-N 3.47Å; Q136-S138 PolarHBondContact O-N 3.25Å; Q136-V139 PolarHBondContact O-N 3.46Å; Q136-V139 VanDerWaalsContact O-N 3.14Å; Q136-D140 WeakPolarHBondContact CG-OD2 3.29Å; Q136-D140 WeakPolarHBondContact O-CB 3.18Å; Q136-D140 PolarHBondContact O-N 2.93Å |
| 137 | D | 96.2 | Very high | 96.1 | Very high | 94 Ų | 94 | 100 Ų | 100 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -36.8 | -179.8 | -61 | -25.4 | 0 | 0 | 0 | 111.7 | K133 G141 | K133-D137 PolarHBondContact O-N 3.48Å; D137-G141 PolarHBondContact O-N 3.5Å |
| 138 | S | 96.9 | Very high | 96.1 | Very high | 67 Ų | 67 | 97.1 Ų | 97.1 | 47% | 0.469 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -49.3 | 174.9 | -171.4 | 0 | 0 | 0 | 0 | 112.5 | K134 M135 Q136 D140 G141 E142 | K134-S138 WeakPolarHBondContact O-CB 3.39Å; K134-S138 PolarHBondContact O-N 3.04Å; K134-S138 VanDerWaalsContact O-N 3.13Å; M135-S138 PolarHBondContact O-N 2.98Å; Q136-S138 PolarHBondContact O-N 3.25Å; S138-D140 VanDerWaalsContact C-N 3.35Å; S138-G141 PolarHBondContact O-N 3.45Å; S138-E142 PolarHBondContact O-N 3.4Å; S138-E142 VanDerWaalsContact O-N 3.08Å |
| 139 | V | 98.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 94.9 Ų | 94.9 | 39% | 0.394 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | -180 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | M135 Q136 G141 E142 I143 | M135-V139 WeakPolarHBondContact O-CG2 3.45Å; M135-V139 PolarHBondContact O-N 3.44Å; Q136-V139 PolarHBondContact O-N 3.46Å; Q136-V139 VanDerWaalsContact O-N 3.14Å; V139-G141 VanDerWaalsContact C-N 3.31Å; V139-G141 PolarHBondContact O-N 3.07Å; V139-E142 PolarHBondContact O-N 3.19Å; V139-I143 HydrophobicContact CG1-CD1 3.8Å; V139-I143 HydrophobicContact CG1-CG1 4.37Å; V139-I143 VanDerWaalsContact O-CG1 3.29Å; V139-I143 WeakPolarHBondContact O-CG1 3.34Å; V139-I143 PolarHBondContact O-N 3.39Å |
| 140 | D | 95.1 | Very high | 96.3 | Very high | 62 Ų | 62 | 96.4 Ų | 96.4 | 33% | 0.332 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 174.8 | -72.4 | -21.8 | 0 | 0 | 0 | 109.5 | Q136 S138 E142 I143 H144 | Q136-D140 WeakPolarHBondContact CG-OD2 3.29Å; Q136-D140 WeakPolarHBondContact O-CB 3.18Å; Q136-D140 PolarHBondContact O-N 2.93Å; S138-D140 VanDerWaalsContact C-N 3.35Å; D140-E142 PolarHBondContact O-N 3.44Å; D140-I143 PolarHBondContact O-N 2.85Å; D140-H144 PolarHBondContact O-N 3.16Å; D140-H144 PolarHBondContact O-ND1 3.37Å |
| 141 | G | 95.7 | Very high | 96.3 | Very high | 31 Ų | 31 | 101.2 Ų | 101.2 | 32% | 0.32 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -54.9 | -50.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D137 S138 V139 I143 H144 E145 | D137-G141 PolarHBondContact O-N 3.5Å; S138-G141 PolarHBondContact O-N 3.45Å; V139-G141 VanDerWaalsContact C-N 3.31Å; V139-G141 PolarHBondContact O-N 3.07Å; G141-I143 VanDerWaalsContact C-N 3.32Å; G141-I143 PolarHBondContact O-N 3.3Å; G141-H144 PolarHBondContact O-N 2.86Å; G141-E145 PolarHBondContact O-N 3.14Å |
| 142 | E | 97 | Very high | 96.3 | Very high | 124 Ų | 124 | 102 Ų | 102 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60 | -40 | 177.2 | -69.5 | 173.9 | -149.6 | 0 | 0 | 112.4 | S138 V139 D140 E145 L146 | S138-E142 PolarHBondContact O-N 3.4Å; S138-E142 VanDerWaalsContact O-N 3.08Å; V139-E142 PolarHBondContact O-N 3.19Å; D140-E142 PolarHBondContact O-N 3.44Å; E142-E145 PolarHBondContact O-N 3.26Å; E142-L146 WeakPolarHBondContact O-CB 3.46Å; E142-L146 PolarHBondContact O-N 3.24Å |
| 143 | I | 96.3 | Very high | 96.2 | Very high | 88 Ų | 88 | 100.5 Ų | 100.5 | 45% | 0.451 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.8 | -70 | 168 | 0 | 0 | 0 | 110.7 | V139 D140 G141 L146 T147 | V139-I143 HydrophobicContact CG1-CD1 3.8Å; V139-I143 HydrophobicContact CG1-CG1 4.37Å; V139-I143 VanDerWaalsContact O-CG1 3.29Å; V139-I143 WeakPolarHBondContact O-CG1 3.34Å; V139-I143 PolarHBondContact O-N 3.39Å; D140-I143 PolarHBondContact O-N 2.85Å; G141-I143 VanDerWaalsContact C-N 3.32Å; G141-I143 PolarHBondContact O-N 3.3Å; I143-L146 PolarHBondContact O-N 3.13Å; I143-T147 WeakPolarHBondContact O-CB 3.42Å; I143-T147 PolarHBondContact O-N 2.87Å; I143-T147 PolarHBondContact O-OG1 2.84Å |
| 144 | H | 95.1 | Very high | 96.2 | Very high | 138 Ų | 138 | 96.9 Ų | 96.9 | 64% | 0.639 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 178.2 | -75.2 | 85.1 | 0 | 0 | 0 | 111.3 | D140 G141 T147 A148 | D140-H144 PolarHBondContact O-N 3.16Å; D140-H144 PolarHBondContact O-ND1 3.37Å; G141-H144 PolarHBondContact O-N 2.86Å; H144-T147 PolarHBondContact O-N 2.85Å; H144-A148 WeakPolarHBondContact O-CB 3.45Å; H144-A148 PolarHBondContact O-N 3.03Å |
| 145 | E | 95.2 | Very high | 96.1 | Very high | 148 Ų | 148 | 97.1 Ų | 97.1 | 69% | 0.692 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.8 | -46.1 | 176.7 | -70.7 | -179.4 | -172.7 | 0 | 0 | 112.2 | G141 E142 T147 A148 S149 | G141-E145 PolarHBondContact O-N 3.14Å; E142-E145 PolarHBondContact O-N 3.26Å; E145-T147 VanDerWaalsContact C-N 3.34Å; E145-T147 PolarHBondContact O-N 3.08Å; E145-A148 PolarHBondContact O-N 3.47Å; E145-S149 PolarHBondContact O-N 3.43Å |
| 146 | L | 97.6 | Very high | 96.2 | Very high | 106 Ų | 106 | 96.6 Ų | 96.6 | 56% | 0.555 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -42.3 | 177.2 | 179.2 | 62.3 | 0 | 0 | 0 | 111.7 | E142 I143 A148 S149 L150 | E142-L146 WeakPolarHBondContact O-CB 3.46Å; E142-L146 PolarHBondContact O-N 3.24Å; I143-L146 PolarHBondContact O-N 3.13Å; L146-A148 VanDerWaalsContact C-N 3.34Å; L146-A148 PolarHBondContact O-N 3.38Å; L146-S149 PolarHBondContact O-N 3.05Å; L146-L150 HydrophobicContact CD1-CD1 4.37Å; L146-L150 HydrophobicContact CD1-CG 4.32Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 HydrophobicContact CG-CG 4.49Å; L146-L150 WeakPolarHBondContact O-CB 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.34Å |
| 147 | T | 96.2 | Very high | 96.2 | Very high | 58 Ų | 58 | 95.2 Ų | 95.2 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 178.3 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | I143 H144 E145 L150 F151 | I143-T147 WeakPolarHBondContact O-CB 3.42Å; I143-T147 PolarHBondContact O-N 2.87Å; I143-T147 PolarHBondContact O-OG1 2.84Å; H144-T147 PolarHBondContact O-N 2.85Å; E145-T147 VanDerWaalsContact C-N 3.34Å; E145-T147 PolarHBondContact O-N 3.08Å; T147-L150 PolarHBondContact O-N 3.09Å; T147-F151 HydrophobicContact CG2-CD2 3.73Å; T147-F151 HydrophobicContact CG2-CE2 3.46Å; T147-F151 VanDerWaalsContact CG2-CE2 3.46Å; T147-F151 WeakPolarHBondContact O-CD2 3.19Å; T147-F151 PolarHBondContact O-N 3.18Å |
| 148 | A | 95.4 | Very high | 96.1 | Very high | 50 Ų | 50 | 93.5 Ų | 93.5 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H144 E145 L146 F151 Q152 | H144-A148 WeakPolarHBondContact O-CB 3.45Å; H144-A148 PolarHBondContact O-N 3.03Å; E145-A148 PolarHBondContact O-N 3.47Å; L146-A148 VanDerWaalsContact C-N 3.34Å; L146-A148 PolarHBondContact O-N 3.38Å; A148-F151 PolarHBondContact O-N 3.22Å; A148-Q152 WeakPolarHBondContact O-CG 3.5Å; A148-Q152 PolarHBondContact O-N 2.87Å |
| 149 | S | 97.4 | Very high | 96.1 | Very high | 67 Ų | 67 | 95.6 Ų | 95.6 | 47% | 0.469 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 177.1 | -174 | 0 | 0 | 0 | 0 | 112.5 | E145 L146 Q152 E153 | E145-S149 PolarHBondContact O-N 3.43Å; L146-S149 PolarHBondContact O-N 3.05Å; S149-Q152 PolarHBondContact O-N 3.5Å; S149-E153 WeakPolarHBondContact O-CB 3.44Å; S149-E153 PolarHBondContact O-N 3.38Å |
| 150 | L | 95.7 | Very high | 96 | Very high | 106 Ų | 106 | 96.1 Ų | 96.1 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.2 | -40.4 | 177.8 | -76.9 | 171.7 | 0 | 0 | 0 | 111.9 | L146 T147 E153 A154 | L146-L150 HydrophobicContact CD1-CD1 4.37Å; L146-L150 HydrophobicContact CD1-CG 4.32Å; L146-L150 HydrophobicContact CG-CD1 4.11Å; L146-L150 HydrophobicContact CG-CG 4.49Å; L146-L150 WeakPolarHBondContact O-CB 3.31Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.34Å; T147-L150 PolarHBondContact O-N 3.09Å; L150-E153 PolarHBondContact O-N 3.36Å; L150-A154 VanDerWaalsContact O-CB 3.29Å; L150-A154 WeakPolarHBondContact O-CB 3.38Å; L150-A154 PolarHBondContact O-N 3.33Å |
| 151 | F | 96.7 | Very high | 96 | Very high | 151 Ų | 151 | 95.8 Ų | 95.8 | 66% | 0.662 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.3 | -39.6 | 176 | -80.5 | -62.6 | 0 | 0 | 0 | 112.7 | T147 A148 E153 A154 Y155 | T147-F151 HydrophobicContact CG2-CD2 3.73Å; T147-F151 HydrophobicContact CG2-CE2 3.46Å; T147-F151 VanDerWaalsContact CG2-CE2 3.46Å; T147-F151 WeakPolarHBondContact O-CD2 3.19Å; T147-F151 PolarHBondContact O-N 3.18Å; A148-F151 PolarHBondContact O-N 3.22Å; F151-E153 VanDerWaalsContact C-N 3.32Å; F151-A154 PolarHBondContact O-N 2.91Å; F151-Y155 WeakPolarHBondContact O-CB 3.46Å; F151-Y155 PolarHBondContact O-N 2.86Å |
| 152 | Q | 96 | Very high | 96 | Very high | 141 Ų | 141 | 98.9 Ų | 98.9 | 66% | 0.659 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.4 | -43 | 173.7 | -73 | 174.8 | 0.5 | 0 | 0 | 111.4 | A148 S149 Y155 R156 | A148-Q152 WeakPolarHBondContact O-CG 3.5Å; A148-Q152 PolarHBondContact O-N 2.87Å; S149-Q152 PolarHBondContact O-N 3.5Å; Q152-Y155 PolarHBondContact O-N 3.07Å; Q152-R156 WeakPolarHBondContact O-CB 3.26Å; Q152-R156 PolarHBondContact O-N 3.14Å |
| 153 | E | 95.4 | Very high | 96 | Very high | 81 Ų | 81 | 97.3 Ų | 97.3 | 38% | 0.379 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.5 | -42.5 | 179.3 | -176.1 | 60.6 | -170.2 | 0 | 0 | 112.2 | S149 L150 F151 Y155 R156 I157 | S149-E153 WeakPolarHBondContact O-CB 3.44Å; S149-E153 PolarHBondContact O-N 3.38Å; L150-E153 PolarHBondContact O-N 3.36Å; F151-E153 VanDerWaalsContact C-N 3.32Å; E153-Y155 VanDerWaalsContact C-N 3.33Å; E153-Y155 PolarHBondContact O-N 3.04Å; E153-R156 WeakPolarHBondContact O-CB 3.5Å; E153-R156 PolarHBondContact O-N 3.19Å; E153-R156 IonicContact OE1-CZ 3.74Å; E153-R156 IonicContact OE1-NE 2.84Å; E153-R156 PolarHBondContact OE1-NE 3.37Å; E153-R156 IonicContact OE1-NH2 3.77Å; E153-R156 PolarHBondContact OE1-NH2 3.05Å; E153-R156 IonicContact OE2-CZ 3.6Å; E153-R156 IonicContact OE2-NE 2.98Å; E153-R156 PolarHBondContact OE2-NE 3.46Å; E153-R156 IonicContact OE2-NH2 3.36Å; E153-I157 HydrophobicContact CG-CD1 4.16Å; E153-I157 WeakPolarHBondContact O-CG1 3.42Å; E153-I157 PolarHBondContact O-N 3.47Å |
| 154 | A | 94.5 | Very high | 96 | Very high | 56 Ų | 56 | 99 Ų | 99 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L150 F151 I157 A158 | L150-A154 VanDerWaalsContact O-CB 3.29Å; L150-A154 WeakPolarHBondContact O-CB 3.38Å; L150-A154 PolarHBondContact O-N 3.33Å; F151-A154 PolarHBondContact O-N 2.91Å; A154-I157 PolarHBondContact O-N 3.19Å; A154-A158 WeakPolarHBondContact O-CB 3.42Å; A154-A158 PolarHBondContact O-N 3.15Å |
| 155 | Y | 95.4 | Very high | 96.1 | Very high | 164 Ų | 164 | 98 Ų | 98 | 64% | 0.643 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -41.7 | 175 | -176 | -97 | 0 | 0 | 0 | 111.9 | F151 Q152 E153 A158 K159 | F151-Y155 WeakPolarHBondContact O-CB 3.46Å; F151-Y155 PolarHBondContact O-N 2.86Å; Q152-Y155 PolarHBondContact O-N 3.07Å; E153-Y155 VanDerWaalsContact C-N 3.33Å; E153-Y155 PolarHBondContact O-N 3.04Å; Y155-A158 PolarHBondContact O-N 3.39Å; Y155-K159 HydrophobicContact CE1-CD 4.39Å; Y155-K159 WeakPolarHBondContact O-CB 3.48Å; Y155-K159 PolarHBondContact O-N 3.46Å |
| 156 | R | 97.5 | Very high | 96.1 | Very high | 114 Ų | 114 | 92.7 Ų | 92.7 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.7 | -48 | 175.6 | -171.2 | -167.1 | 69.5 | 70.4 | 1.3 | 111.5 | Q152 E153 K159 E160 | Q152-R156 WeakPolarHBondContact O-CB 3.26Å; Q152-R156 PolarHBondContact O-N 3.14Å; E153-R156 WeakPolarHBondContact O-CB 3.5Å; E153-R156 PolarHBondContact O-N 3.19Å; E153-R156 IonicContact OE1-CZ 3.74Å; E153-R156 IonicContact OE1-NE 2.84Å; E153-R156 PolarHBondContact OE1-NE 3.37Å; E153-R156 IonicContact OE1-NH2 3.77Å; E153-R156 PolarHBondContact OE1-NH2 3.05Å; E153-R156 IonicContact OE2-CZ 3.6Å; E153-R156 IonicContact OE2-NE 2.98Å; E153-R156 PolarHBondContact OE2-NE 3.46Å; E153-R156 IonicContact OE2-NH2 3.36Å; R156-K159 PolarHBondContact O-N 3.37Å; R156-E160 IonicContact NH1-OE2 2.65Å; R156-E160 PolarHBondContact NH1-OE2 2.73Å; R156-E160 WeakPolarHBondContact O-CB 3.33Å; R156-E160 PolarHBondContact O-N 3.25Å |
| 157 | I | 96.2 | Very high | 96 | Very high | 89 Ų | 89 | 94.8 Ų | 94.8 | 46% | 0.456 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 178.9 | -66.3 | 166.5 | 0 | 0 | 0 | 110.8 | E153 A154 K159 E160 A161 | E153-I157 HydrophobicContact CG-CD1 4.16Å; E153-I157 WeakPolarHBondContact O-CG1 3.42Å; E153-I157 PolarHBondContact O-N 3.47Å; A154-I157 PolarHBondContact O-N 3.19Å; I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 2.97Å; I157-E160 PolarHBondContact O-N 2.94Å; I157-A161 WeakPolarHBondContact O-CB 3.33Å; I157-A161 PolarHBondContact O-N 3.47Å |
| 158 | A | 96 | Very high | 96 | Very high | 57 Ų | 57 | 94.6 Ų | 94.6 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A154 Y155 A161 H162 | A154-A158 WeakPolarHBondContact O-CB 3.42Å; A154-A158 PolarHBondContact O-N 3.15Å; Y155-A158 PolarHBondContact O-N 3.39Å; A158-A161 PolarHBondContact O-N 3.29Å; A158-H162 WeakPolarHBondContact O-CB 3.38Å; A158-H162 PolarHBondContact O-N 3.03Å |
| 159 | K | 96 | Very high | 96.1 | Very high | 112 Ų | 112 | 96.8 Ų | 96.8 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.4 | -45.3 | 175.9 | -172.9 | 174.4 | -179.4 | 177.6 | 0 | 112 | Y155 R156 I157 A161 H162 D163 | Y155-K159 HydrophobicContact CE1-CD 4.39Å; Y155-K159 WeakPolarHBondContact O-CB 3.48Å; Y155-K159 PolarHBondContact O-N 3.46Å; R156-K159 PolarHBondContact O-N 3.37Å; I157-K159 VanDerWaalsContact C-N 3.34Å; I157-K159 PolarHBondContact O-N 2.97Å; K159-A161 VanDerWaalsContact C-N 3.31Å; K159-A161 PolarHBondContact O-N 3.46Å; K159-H162 PolarHBondContact O-N 2.94Å; K159-D163 VanDerWaalsContact O-CG 3.3Å; K159-D163 PolarHBondContact O-N 3.24Å |
| 160 | E | 96.1 | Very high | 96.1 | Very high | 76 Ų | 76 | 101.3 Ų | 101.3 | 36% | 0.355 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 176.7 | -171.9 | -176.2 | 160.2 | 0 | 0 | 111.9 | R156 I157 K164 | R156-E160 IonicContact NH1-OE2 2.65Å; R156-E160 PolarHBondContact NH1-OE2 2.73Å; R156-E160 WeakPolarHBondContact O-CB 3.33Å; R156-E160 PolarHBondContact O-N 3.25Å; I157-E160 PolarHBondContact O-N 2.94Å; E160-K164 HydrophobicContact CG-CD 4.48Å; E160-K164 WeakPolarHBondContact O-CB 3.38Å; E160-K164 VanDerWaalsContact O-CG 3.3Å; E160-K164 WeakPolarHBondContact O-CG 3.48Å; E160-K164 PolarHBondContact O-N 2.8Å; E160-K164 WeakPolarHBondContact OE1-CE 3.37Å; E160-K164 IonicContact OE1-NZ 3.26Å; E160-K164 PolarHBondContact OE1-NZ 2.87Å |
| 161 | A | 95.4 | Very high | 96.2 | Very high | 55 Ų | 55 | 100 Ų | 100 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | I157 A158 K159 K164 R165 | I157-A161 WeakPolarHBondContact O-CB 3.33Å; I157-A161 PolarHBondContact O-N 3.47Å; A158-A161 PolarHBondContact O-N 3.29Å; K159-A161 VanDerWaalsContact C-N 3.31Å; K159-A161 PolarHBondContact O-N 3.46Å; A161-K164 PolarHBondContact O-N 3.27Å; A161-R165 WeakPolarHBondContact O-CB 3.43Å; A161-R165 PolarHBondContact O-N 3.03Å |
| 162 | H | 95.9 | Very high | 96.2 | Very high | 96 Ų | 96 | 97.8 Ų | 97.8 | 44% | 0.444 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 175.3 | -177.1 | 87.8 | 0 | 0 | 0 | 111.6 | A158 K159 K164 R165 V166 | A158-H162 WeakPolarHBondContact O-CB 3.38Å; A158-H162 PolarHBondContact O-N 3.03Å; K159-H162 PolarHBondContact O-N 2.94Å; H162-K164 PolarHBondContact O-N 2.78Å; H162-R165 PolarHBondContact CE1-NH2 2.97Å; H162-R165 PolarHBondContact ND1-NH2 2.68Å; H162-R165 PolarHBondContact O-N 3.17Å; H162-V166 WeakPolarHBondContact O-CG2 3.44Å; H162-V166 PolarHBondContact O-N 2.97Å |
| 163 | D | 96.2 | Very high | 96.2 | Very high | 90 Ų | 90 | 98 Ų | 98 | 48% | 0.481 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178.9 | -69.1 | -18.9 | 0 | 0 | 0 | 111.6 | K159 V166 Y167 | K159-D163 VanDerWaalsContact O-CG 3.3Å; K159-D163 PolarHBondContact O-N 3.24Å; D163-V166 PolarHBondContact O-N 3.35Å; D163-Y167 WeakPolarHBondContact O-CB 3.49Å; D163-Y167 PolarHBondContact O-N 3.15Å |
| 164 | K | 96.9 | Very high | 96.3 | Very high | 124 Ų | 124 | 99.5 Ų | 99.5 | 54% | 0.539 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 174.5 | -74.3 | 174.3 | -172.8 | 169.2 | 0 | 112.4 | E160 A161 H162 Y167 A168 | E160-K164 HydrophobicContact CG-CD 4.48Å; E160-K164 WeakPolarHBondContact O-CB 3.38Å; E160-K164 VanDerWaalsContact O-CG 3.3Å; E160-K164 WeakPolarHBondContact O-CG 3.48Å; E160-K164 PolarHBondContact O-N 2.8Å; E160-K164 WeakPolarHBondContact OE1-CE 3.37Å; E160-K164 IonicContact OE1-NZ 3.26Å; E160-K164 PolarHBondContact OE1-NZ 2.87Å; A161-K164 PolarHBondContact O-N 3.27Å; H162-K164 PolarHBondContact O-N 2.78Å; K164-Y167 PolarHBondContact O-N 3.04Å; K164-A168 WeakPolarHBondContact O-CB 3.5Å; K164-A168 PolarHBondContact O-N 3.33Å |
| 165 | R | 95.8 | Very high | 96.4 | Very high | 117 Ų | 117 | 99 Ų | 99 | 44% | 0.442 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 175.7 | -176.7 | -169.5 | 64.7 | 92.1 | 4.6 | 110.9 | A161 H162 Y167 A168 E169 | A161-R165 WeakPolarHBondContact O-CB 3.43Å; A161-R165 PolarHBondContact O-N 3.03Å; H162-R165 PolarHBondContact CE1-NH2 2.97Å; H162-R165 PolarHBondContact ND1-NH2 2.68Å; H162-R165 PolarHBondContact O-N 3.17Å; R165-Y167 VanDerWaalsContact C-N 3.26Å; R165-Y167 PolarHBondContact O-N 3.4Å; R165-A168 PolarHBondContact O-N 3.47Å; R165-A168 VanDerWaalsContact O-N 3.14Å; R165-E169 HydrophobicContact CG-CG 4.42Å; R165-E169 WeakPolarHBondContact CG-OE1 3.35Å; R165-E169 IonicContact CZ-OE1 2.79Å; R165-E169 IonicContact CZ-OE2 2.73Å; R165-E169 IonicContact NE-OE1 2.73Å; R165-E169 IonicContact NH1-OE1 2.73Å; R165-E169 PolarHBondContact NH1-OE1 2.93Å; R165-E169 IonicContact NH1-OE2 2.89Å; R165-E169 PolarHBondContact NH1-OE2 3.29Å; R165-E169 WeakPolarHBondContact O-CB 3.19Å; R165-E169 WeakPolarHBondContact O-CG 3.48Å; R165-E169 PolarHBondContact O-N 3.25Å |
| 166 | V | 96 | Very high | 96.4 | Very high | 37 Ų | 37 | 95 Ų | 95 | 22% | 0.224 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -59.1 | -39.2 | 178.2 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | H162 D163 R170 | H162-V166 WeakPolarHBondContact O-CG2 3.44Å; H162-V166 PolarHBondContact O-N 2.97Å; D163-V166 PolarHBondContact O-N 3.35Å; V166-R170 WeakPolarHBondContact O-CG 3.37Å; V166-R170 PolarHBondContact O-N 2.65Å; V166-R170 VanDerWaalsContact O-N 3.14Å |
| 167 | Y | 96.4 | Very high | 96.4 | Very high | 150 Ų | 150 | 91.5 Ų | 91.5 | 59% | 0.588 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 174.7 | 178.7 | -100.2 | 0 | 0 | 0 | 112.8 | D163 K164 R165 R170 L171 | D163-Y167 WeakPolarHBondContact O-CB 3.49Å; D163-Y167 PolarHBondContact O-N 3.15Å; K164-Y167 PolarHBondContact O-N 3.04Å; R165-Y167 VanDerWaalsContact C-N 3.26Å; R165-Y167 PolarHBondContact O-N 3.4Å; Y167-R170 PolarHBondContact O-N 2.97Å; Y167-L171 HydrophobicContact CD1-CD1 4.06Å; Y167-L171 HydrophobicContact CE1-CD1 3.38Å; Y167-L171 HydrophobicContact CE1-CG 4.22Å; Y167-L171 PolarHBondContact O-N 3.25Å; Y167-L171 VanDerWaalsContact O-N 3.14Å |
| 168 | A | 96 | Very high | 96.5 | Very high | 54 Ų | 54 | 93.6 Ų | 93.6 | 45% | 0.446 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K164 R165 R170 L171 L172 | K164-A168 WeakPolarHBondContact O-CB 3.5Å; K164-A168 PolarHBondContact O-N 3.33Å; R165-A168 PolarHBondContact O-N 3.47Å; R165-A168 VanDerWaalsContact O-N 3.14Å; A168-R170 VanDerWaalsContact C-N 3.35Å; A168-R170 PolarHBondContact O-N 2.98Å; A168-L171 PolarHBondContact O-N 2.88Å; A168-L172 WeakPolarHBondContact O-CB 3.29Å; A168-L172 PolarHBondContact O-N 3.05Å |
| 169 | E | 96.8 | Very high | 96.5 | Very high | 95 Ų | 95 | 94 Ų | 94 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 175.8 | -76.2 | 173.1 | -178.9 | 0 | 0 | 112 | R165 L172 H173 | R165-E169 HydrophobicContact CG-CG 4.42Å; R165-E169 WeakPolarHBondContact CG-OE1 3.35Å; R165-E169 IonicContact CZ-OE1 2.79Å; R165-E169 IonicContact CZ-OE2 2.73Å; R165-E169 IonicContact NE-OE1 2.73Å; R165-E169 IonicContact NH1-OE1 2.73Å; R165-E169 PolarHBondContact NH1-OE1 2.93Å; R165-E169 IonicContact NH1-OE2 2.89Å; R165-E169 PolarHBondContact NH1-OE2 3.29Å; R165-E169 WeakPolarHBondContact O-CB 3.19Å; R165-E169 WeakPolarHBondContact O-CG 3.48Å; R165-E169 PolarHBondContact O-N 3.25Å; E169-L172 PolarHBondContact O-N 2.99Å; E169-H173 WeakPolarHBondContact O-CB 3.25Å; E169-H173 PolarHBondContact O-N 3.44Å |
| 170 | R | 97.1 | Very high | 96.5 | Very high | 163 Ų | 163 | 93.3 Ų | 93.3 | 62% | 0.615 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.9 | -47.5 | 173.3 | -73.9 | 177.3 | -169.4 | 172 | 5.1 | 111.8 | V166 Y167 A168 L172 H173 E174 | V166-R170 WeakPolarHBondContact O-CG 3.37Å; V166-R170 PolarHBondContact O-N 2.65Å; V166-R170 VanDerWaalsContact O-N 3.14Å; Y167-R170 PolarHBondContact O-N 2.97Å; A168-R170 VanDerWaalsContact C-N 3.35Å; A168-R170 PolarHBondContact O-N 2.98Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 2.84Å; R170-H173 PolarHBondContact O-N 3.26Å; R170-E174 WeakPolarHBondContact O-CG 3.39Å; R170-E174 PolarHBondContact O-N 3.36Å |
| 171 | L | 97.2 | Very high | 96.4 | Very high | 78 Ų | 78 | 96 Ų | 96 | 41% | 0.408 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 177.5 | -73.3 | 178.6 | 0 | 0 | 0 | 112.5 | Y167 A168 E174 A175 | Y167-L171 HydrophobicContact CD1-CD1 4.06Å; Y167-L171 HydrophobicContact CE1-CD1 3.38Å; Y167-L171 HydrophobicContact CE1-CG 4.22Å; Y167-L171 PolarHBondContact O-N 3.25Å; Y167-L171 VanDerWaalsContact O-N 3.14Å; A168-L171 PolarHBondContact O-N 2.88Å; L171-E174 PolarHBondContact O-N 3Å; L171-A175 WeakPolarHBondContact O-CB 3.39Å; L171-A175 PolarHBondContact O-N 3.49Å |
| 172 | L | 97 | Very high | 96.5 | Very high | 104 Ų | 104 | 98 Ų | 98 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 175.6 | -178.1 | 149 | 0 | 0 | 0 | 111.1 | A168 E169 R170 E174 A175 N176 | A168-L172 WeakPolarHBondContact O-CB 3.29Å; A168-L172 PolarHBondContact O-N 3.05Å; E169-L172 PolarHBondContact O-N 2.99Å; R170-L172 VanDerWaalsContact C-N 3.32Å; R170-L172 PolarHBondContact O-N 2.84Å; L172-E174 PolarHBondContact O-N 3.42Å; L172-A175 PolarHBondContact O-N 3.21Å; L172-N176 WeakPolarHBondContact CD2-ND2 3.32Å; L172-N176 WeakPolarHBondContact O-CB 3.47Å; L172-N176 PolarHBondContact O-N 3.48Å |
| 173 | H | 96.6 | Very high | 96.5 | Very high | 145 Ų | 145 | 98 Ų | 98 | 67% | 0.671 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 175.8 | -173 | 71.3 | 0 | 0 | 0 | 111.9 | E169 R170 N176 G177 | E169-H173 WeakPolarHBondContact O-CB 3.25Å; E169-H173 PolarHBondContact O-N 3.44Å; R170-H173 PolarHBondContact O-N 3.26Å; H173-N176 PolarHBondContact O-N 2.87Å; H173-G177 PolarHBondContact O-N 2.67Å |
| 174 | E | 96.6 | Very high | 96.5 | Very high | 113 Ų | 113 | 96.6 Ų | 96.6 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -39 | 175.3 | -70.5 | 177.5 | -162.8 | 0 | 0 | 113.1 | R170 L171 L172 K178 | R170-E174 WeakPolarHBondContact O-CG 3.39Å; R170-E174 PolarHBondContact O-N 3.36Å; L171-E174 PolarHBondContact O-N 3Å; L172-E174 PolarHBondContact O-N 3.42Å; E174-K178 WeakPolarHBondContact O-CG 3.36Å; E174-K178 PolarHBondContact O-N 2.79Å |
| 175 | A | 96.4 | Very high | 96.3 | Very high | 47 Ų | 47 | 96 Ų | 96 | 39% | 0.388 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L171 L172 G177 K178 V179 | L171-A175 WeakPolarHBondContact O-CB 3.39Å; L171-A175 PolarHBondContact O-N 3.49Å; L172-A175 PolarHBondContact O-N 3.21Å; A175-G177 VanDerWaalsContact C-N 3.33Å; A175-G177 PolarHBondContact O-N 2.89Å; A175-K178 WeakPolarHBondContact O-CB 3.48Å; A175-K178 PolarHBondContact O-N 3.14Å; A175-K178 VanDerWaalsContact O-N 3.1Å; A175-V179 WeakPolarHBondContact O-CG2 3.13Å; A175-V179 PolarHBondContact O-N 2.93Å |
| 176 | N | 97 | Very high | 96.3 | Very high | 80 Ų | 80 | 94.9 Ų | 94.9 | 43% | 0.428 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 175.7 | -77.7 | -10.4 | 0 | 0 | 0 | 111.3 | L172 H173 K178 V179 D180 | L172-N176 WeakPolarHBondContact CD2-ND2 3.32Å; L172-N176 WeakPolarHBondContact O-CB 3.47Å; L172-N176 PolarHBondContact O-N 3.48Å; H173-N176 PolarHBondContact O-N 2.87Å; N176-K178 VanDerWaalsContact C-N 3.26Å; N176-K178 PolarHBondContact O-N 3.44Å; N176-V179 PolarHBondContact O-N 3.44Å; N176-V179 VanDerWaalsContact O-N 3.09Å; N176-D180 PolarHBondContact O-N 2.82Å |
| 177 | G | 96.8 | Very high | 96.2 | Very high | 39 Ų | 39 | 99.7 Ų | 99.7 | 40% | 0.402 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.7 | -35.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | H173 A175 M181 | H173-G177 PolarHBondContact O-N 2.67Å; A175-G177 VanDerWaalsContact C-N 3.33Å; A175-G177 PolarHBondContact O-N 2.89Å; G177-M181 PolarHBondContact O-N 3.21Å |
| 178 | K | 97.2 | Very high | 96.1 | Very high | 133 Ų | 133 | 95.1 Ų | 95.1 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.7 | -40.5 | 173.4 | -68 | 170.6 | -173.8 | 166.8 | 0 | 112 | E174 A175 N176 M181 L182 | E174-K178 WeakPolarHBondContact O-CG 3.36Å; E174-K178 PolarHBondContact O-N 2.79Å; A175-K178 WeakPolarHBondContact O-CB 3.48Å; A175-K178 PolarHBondContact O-N 3.14Å; A175-K178 VanDerWaalsContact O-N 3.1Å; N176-K178 VanDerWaalsContact C-N 3.26Å; N176-K178 PolarHBondContact O-N 3.44Å; K178-M181 PolarHBondContact O-N 3.21Å; K178-L182 VanDerWaalsContact O-CG 3.31Å; K178-L182 WeakPolarHBondContact O-CG 3.41Å; K178-L182 PolarHBondContact O-N 3.28Å |
| 179 | V | 96.7 | Very high | 95.9 | Very high | 65 Ų | 65 | 97.3 Ų | 97.3 | 39% | 0.394 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | A175 N176 M181 L182 Q183 | A175-V179 WeakPolarHBondContact O-CG2 3.13Å; A175-V179 PolarHBondContact O-N 2.93Å; N176-V179 PolarHBondContact O-N 3.44Å; N176-V179 VanDerWaalsContact O-N 3.09Å; V179-M181 VanDerWaalsContact C-N 3.35Å; V179-M181 PolarHBondContact O-N 3.44Å; V179-L182 PolarHBondContact O-N 3.21Å; V179-Q183 HydrophobicContact CG1-CG 4.14Å; V179-Q183 WeakPolarHBondContact O-CB 3.49Å; V179-Q183 VanDerWaalsContact O-CG 3.3Å; V179-Q183 WeakPolarHBondContact O-CG 3.15Å; V179-Q183 PolarHBondContact O-N 3.47Å |
| 180 | D | 96.4 | Very high | 95.7 | Very high | 98 Ų | 98 | 99 Ų | 99 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 178.5 | -70.4 | -21.8 | 0 | 0 | 0 | 111.8 | N176 Q183 A184 | N176-D180 PolarHBondContact O-N 2.82Å; D180-Q183 PolarHBondContact O-N 2.66Å; D180-A184 WeakPolarHBondContact O-CB 3.21Å; D180-A184 PolarHBondContact O-N 2.97Å |
| 181 | M | 94.6 | Very high | 95.3 | Very high | 133 Ų | 133 | 95.7 Ų | 95.7 | 66% | 0.655 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.5 | -48.8 | 173.6 | -174.8 | -170 | -59.4 | 0 | 0 | 111.6 | G177 K178 V179 A184 E185 | G177-M181 PolarHBondContact O-N 3.21Å; K178-M181 PolarHBondContact O-N 3.21Å; V179-M181 VanDerWaalsContact C-N 3.35Å; V179-M181 PolarHBondContact O-N 3.44Å; M181-A184 PolarHBondContact O-N 3.41Å; M181-E185 PolarHBondContact O-N 2.95Å |
| 182 | L | 96.5 | Very high | 94.7 | Very high | 98 Ų | 98 | 97.3 Ų | 97.3 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 179.4 | -70.2 | 173.7 | 0 | 0 | 0 | 112.1 | K178 V179 A184 E185 V186 | K178-L182 VanDerWaalsContact O-CG 3.31Å; K178-L182 WeakPolarHBondContact O-CG 3.41Å; K178-L182 PolarHBondContact O-N 3.28Å; V179-L182 PolarHBondContact O-N 3.21Å; L182-A184 VanDerWaalsContact C-N 3.33Å; L182-E185 PolarHBondContact O-N 2.94Å; L182-V186 WeakPolarHBondContact O-CB 3.44Å; L182-V186 VanDerWaalsContact O-CG2 3.3Å; L182-V186 WeakPolarHBondContact O-CG2 3.37Å; L182-V186 PolarHBondContact O-N 3.5Å |
| 183 | Q | 96.4 | Very high | 94.2 | Very high | 95 Ų | 95 | 98.6 Ų | 98.6 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 174.4 | -76.2 | -174.6 | 11 | 0 | 0 | 111.4 | V179 D180 K187 | V179-Q183 HydrophobicContact CG1-CG 4.14Å; V179-Q183 WeakPolarHBondContact O-CB 3.49Å; V179-Q183 VanDerWaalsContact O-CG 3.3Å; V179-Q183 WeakPolarHBondContact O-CG 3.15Å; V179-Q183 PolarHBondContact O-N 3.47Å; D180-Q183 PolarHBondContact O-N 2.66Å; Q183-K187 VanDerWaalsContact O-CB 3.32Å; Q183-K187 WeakPolarHBondContact O-CB 3.44Å; Q183-K187 WeakPolarHBondContact O-CG 3.45Å; Q183-K187 PolarHBondContact O-N 2.84Å |
| 184 | A | 95.6 | Very high | 93.1 | Very high | 60 Ų | 60 | 97.7 Ų | 97.7 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -42 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D180 M181 L182 K187 A188 | D180-A184 WeakPolarHBondContact O-CB 3.21Å; D180-A184 PolarHBondContact O-N 2.97Å; M181-A184 PolarHBondContact O-N 3.41Å; L182-A184 VanDerWaalsContact C-N 3.33Å; A184-K187 PolarHBondContact O-N 3.44Å; A184-A188 WeakPolarHBondContact O-CB 3.41Å; A184-A188 PolarHBondContact O-N 2.93Å |
| 185 | E | 94.1 | Very high | 92 | Very high | 111 Ų | 111 | 96 Ų | 96 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | 175.9 | -171.1 | 178.2 | 179.3 | 0 | 0 | 112 | M181 L182 K187 A188 L189 | M181-E185 PolarHBondContact O-N 2.95Å; L182-E185 PolarHBondContact O-N 2.94Å; E185-K187 PolarHBondContact O-N 3.38Å; E185-A188 PolarHBondContact O-N 3.34Å; E185-L189 HydrophobicContact CG-CD1 4.25Å; E185-L189 WeakPolarHBondContact O-CG 3.34Å; E185-L189 PolarHBondContact O-N 2.87Å |
| 186 | V | 95.5 | Very high | 90.7 | Very high | 95 Ų | 95 | 97.6 Ų | 97.6 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | L182 L189 K190 | L182-V186 WeakPolarHBondContact O-CB 3.44Å; L182-V186 VanDerWaalsContact O-CG2 3.3Å; L182-V186 WeakPolarHBondContact O-CG2 3.37Å; L182-V186 PolarHBondContact O-N 3.5Å; V186-L189 PolarHBondContact O-N 2.66Å; V186-K190 WeakPolarHBondContact O-CB 3.49Å; V186-K190 PolarHBondContact O-N 2.88Å |
| 187 | K | 93.5 | Very high | 89.1 | Confident | 137 Ų | 137 | 97.9 Ų | 97.9 | 60% | 0.596 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.4 | -44.6 | 174.6 | -76.9 | 170.5 | -176.4 | 171.1 | 0 | 111.1 | Q183 A184 E185 K190 V191 | Q183-K187 VanDerWaalsContact O-CB 3.32Å; Q183-K187 WeakPolarHBondContact O-CB 3.44Å; Q183-K187 WeakPolarHBondContact O-CG 3.45Å; Q183-K187 PolarHBondContact O-N 2.84Å; A184-K187 PolarHBondContact O-N 3.44Å; E185-K187 PolarHBondContact O-N 3.38Å; K187-K190 PolarHBondContact O-N 2.88Å; K187-V191 WeakPolarHBondContact O-CG2 3.32Å; K187-V191 PolarHBondContact O-N 3.22Å |
| 188 | A | 94.2 | Very high | 87 | Confident | 55 Ų | 55 | 102.6 Ų | 102.6 | 46% | 0.455 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | A184 E185 K190 V191 L192 | A184-A188 WeakPolarHBondContact O-CB 3.41Å; A184-A188 PolarHBondContact O-N 2.93Å; E185-A188 PolarHBondContact O-N 3.34Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 3.3Å; A188-V191 PolarHBondContact O-N 2.89Å; A188-L192 PolarHBondContact O-N 2.96Å |
| 189 | L | 92.5 | Very high | 84.7 | Confident | 99 Ų | 99 | 100.5 Ų | 100.5 | 52% | 0.518 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.9 | -37 | 176.5 | -71.6 | 172.3 | 0 | 0 | 0 | 112.4 | E185 V186 V191 L192 Q193 | E185-L189 HydrophobicContact CG-CD1 4.25Å; E185-L189 WeakPolarHBondContact O-CG 3.34Å; E185-L189 PolarHBondContact O-N 2.87Å; V186-L189 PolarHBondContact O-N 2.66Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 3.16Å; L189-L192 PolarHBondContact O-N 2.92Å; L189-Q193 PolarHBondContact O-N 3.42Å |
| 190 | K | 92.3 | Very high | 82.4 | Confident | 130 Ų | 130 | 105.3 Ų | 105.3 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.1 | -37.6 | 177.2 | -168.1 | 171.4 | -176.8 | 176 | 0 | 112.3 | V186 K187 A188 Q193 F194 | V186-K190 WeakPolarHBondContact O-CB 3.49Å; V186-K190 PolarHBondContact O-N 2.88Å; K187-K190 PolarHBondContact O-N 2.88Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 3.3Å; K190-Q193 PolarHBondContact O-N 3.16Å; K190-F194 HydrophobicContact CG-CD2 4.35Å; K190-F194 HydrophobicContact CG-CE2 4.49Å; K190-F194 PolarHBondContact O-N 3.3Å; K190-F194 VanDerWaalsContact O-N 3.16Å |
| 191 | V | 88.5 | Confident | 79.8 | Confident | 95 Ų | 95 | 110.7 Ų | 110.7 | 58% | 0.576 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63.9 | -45.6 | 174.8 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | K187 A188 L189 Q193 F194 S195 | K187-V191 WeakPolarHBondContact O-CG2 3.32Å; K187-V191 PolarHBondContact O-N 3.22Å; A188-V191 PolarHBondContact O-N 2.89Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 3.16Å; V191-Q193 VanDerWaalsContact C-N 3.31Å; V191-Q193 PolarHBondContact O-N 3.02Å; V191-F194 PolarHBondContact O-N 2.81Å; V191-S195 PolarHBondContact O-N 2.83Å; V191-S195 VanDerWaalsContact O-N 3.12Å; V191-S195 PolarHBondContact O-OG 3.5Å |
| 192 | L | 84.8 | Confident | 77.1 | Confident | 111 Ų | 111 | 109.7 Ų | 109.7 | 58% | 0.581 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.5 | -35.4 | 178.9 | -67.4 | 174.7 | 0 | 0 | 0 | 112.8 | A188 L189 S196 | A188-L192 PolarHBondContact O-N 2.96Å; L189-L192 PolarHBondContact O-N 2.92Å; L192-S196 PolarHBondContact O-N 3.29Å; L192-S196 PolarHBondContact O-OG 2.88Å |
| 193 | Q | 84.9 | Confident | 74.4 | Confident | 131 Ų | 131 | 111 Ų | 111 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.7 | -43.3 | 175.8 | -171.9 | 176.8 | 1.5 | 0 | 0 | 112 | L189 K190 V191 S195 S196 T197 | L189-Q193 PolarHBondContact O-N 3.42Å; K190-Q193 PolarHBondContact O-N 3.16Å; V191-Q193 VanDerWaalsContact C-N 3.31Å; V191-Q193 PolarHBondContact O-N 3.02Å; Q193-S195 VanDerWaalsContact C-N 3.3Å; Q193-S195 PolarHBondContact O-N 3.36Å; Q193-S196 WeakPolarHBondContact O-CB 3.42Å; Q193-S196 PolarHBondContact O-N 3.11Å; Q193-T197 PolarHBondContact O-N 3.2Å; Q193-T197 PolarHBondContact O-OG1 3.29Å |
| 194 | F | 74.6 | Confident | 71.5 | Confident | 126 Ų | 126 | 117.8 Ų | 117.8 | 55% | 0.553 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.8 | -36 | 176.9 | -99.1 | -79.4 | 0 | 0 | 0 | 112.6 | K190 V191 S196 | K190-F194 HydrophobicContact CG-CD2 4.35Å; K190-F194 HydrophobicContact CG-CE2 4.49Å; K190-F194 PolarHBondContact O-N 3.3Å; K190-F194 VanDerWaalsContact O-N 3.16Å; V191-F194 PolarHBondContact O-N 2.81Å; F194-S196 PolarHBondContact O-N 3.29Å |
| 195 | S | 73.8 | Confident | 68.6 | Low | 79 Ų | 79 | 119.3 Ų | 119.3 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.2 | -28.3 | 172.6 | -57.1 | 0 | 0 | 0 | 0 | 112.8 | V191 Q193 | V191-S195 PolarHBondContact O-N 2.83Å; V191-S195 VanDerWaalsContact O-N 3.12Å; V191-S195 PolarHBondContact O-OG 3.5Å; Q193-S195 VanDerWaalsContact C-N 3.3Å; Q193-S195 PolarHBondContact O-N 3.36Å |
| 196 | S | 69.6 | Low | 66 | Low | 80 Ų | 80 | 125.1 Ų | 125.1 | 56% | 0.559 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -84 | -27.1 | -177.1 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | L192 Q193 F194 | L192-S196 PolarHBondContact O-N 3.29Å; L192-S196 PolarHBondContact O-OG 2.88Å; Q193-S196 WeakPolarHBondContact O-CB 3.42Å; Q193-S196 PolarHBondContact O-N 3.11Å; F194-S196 PolarHBondContact O-N 3.29Å |
| 197 | T | 61.9 | Low | 63.2 | Low | 85 Ų | 85 | 126.1 Ų | 126.1 | 52% | 0.521 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -95.6 | -12.6 | -175.5 | 55.7 | 0 | 0 | 0 | 0 | 115.1 | Q193 | Q193-T197 PolarHBondContact O-N 3.2Å; Q193-T197 PolarHBondContact O-OG1 3.29Å |
| 198 | N | 53.7 | Low | 60.8 | Low | 139 Ų | 139 | 124.7 Ų | 124.7 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 0.6 | 178.5 | -94.5 | 6.8 | 0 | 0 | 0 | 115.1 | ||
| 199 | S | 48.4 | Very low | 58.5 | Low | 89 Ų | 89 | 127.7 Ų | 127.7 | 62% | 0.622 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 12.4 | -176.9 | -58.3 | 0 | 0 | 0 | 0 | 115.9 | ||
| 200 | F | 47.5 | Very low | 56.2 | Low | 166 Ų | 166 | 131.3 Ų | 131.3 | 73% | 0.728 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -126.4 | 86.6 | 178.5 | -59.2 | -78.8 | 0 | 0 | 0 | 111.6 | ||
| 201 | K | 41.8 | Very low | 53.9 | Low | 211 Ų | 211 | 132.6 Ų | 132.6 | 92% | 0.917 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 145.9 | 93.1 | 149.7 | -78.8 | 160.8 | -169.5 | -175.8 | 0 | 109.8 | ||
| 202 | S | 39.2 | Very low | 51.8 | Low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 70% | 0.704 | S | S | * | * | trans | 159.2 | 108.7 | 130.7 | -167.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 203 | V | 39.2 | Very low | 49.6 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | 64.6 | 93 | 141.7 | -170.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 204 | R | 36.7 | Very low | 47.4 | Very low | 236 Ų | 236 | 142 Ų | 142 | 89% | 0.891 | 72% | 0.724 | S | S | * | * | 36.9 | 131.2 | 115.4 | -126.9 | 174.1 | -162.4 | -162.9 | 3.3 | 119.6 | |||||
| 205 | S | 34.5 | Very low | 45.7 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | trans | 71.4 | 104.9 | 162.8 | 67 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 206 | Y | 39.7 | Very low | 43.5 | Very low | 234 Ų | 234 | 145.1 Ų | 145.1 | 92% | 0.918 | 75% | 0.746 | S | S | * | * | -168.5 | 152.9 | 94.7 | -93.4 | -80.4 | 0 | 0 | 0 | 109.6 | |||||
| 207 | S | 36 | Very low | 42.1 | Very low | 115 Ų | 115 | 149.6 Ų | 149.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -78.5 | 156.5 | -156.7 | 176.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 208 | P | 43.5 | Very low | 41 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | trans | -112.3 | 152.6 | -163.9 | 38.9 | -27.4 | 0 | 0 | 0 | 114.4 | ||||
| 209 | V | 45 | Very low | 40.3 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | trans | -156.8 | 117.4 | 159 | -170.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 210 | K | 44.1 | Very low | 39.6 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 60.4 | 118.3 | 146.7 | -61.4 | 167.1 | -163.6 | 170.4 | 0 | 120.7 | ||||
| 211 | L | 44 | Very low | 39.3 | Very low | 156 Ų | 156 | 151.8 Ų | 151.8 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | -168 | 108.5 | 110.6 | -104.2 | 146.9 | 0 | 0 | 0 | 114.8 | |||||
| 212 | F | 44.5 | Very low | 39.3 | Very low | 137 Ų | 137 | 152.7 Ų | 152.7 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | trans | 58.4 | 112 | 136 | -75.4 | -119 | 0 | 0 | 0 | 121.8 | ||||
| 213 | R | 39.7 | Very low | 39.3 | Very low | 212 Ų | 212 | 153 Ų | 153 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | 82.7 | 103.2 | 102.1 | -76.9 | -168.4 | -171.6 | 153.5 | 0.7 | 113.7 | |||||
| 214 | K | 37.7 | Very low | 39.4 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | 66.8 | 101.2 | 73.1 | -166.7 | 176.2 | -171.7 | 177.7 | 0 | 113.8 | |||||
| 215 | L | 39 | Very low | 39.7 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | trans | -144.3 | 108.4 | 140.9 | -83 | 172.3 | 0 | 0 | 0 | 108.6 | ||||
| 216 | S | 28.8 | Very low | 39.9 | Very low | 93 Ų | 93 | 150.2 Ų | 150.2 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | -114.9 | 124.2 | 164.3 | 52.5 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 217 | L | 39.2 | Very low | 39.9 | Very low | 174 Ų | 174 | 142.8 Ų | 142.8 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | trans | -126 | 135.7 | 163.6 | -139.8 | 91.7 | 0 | 0 | 0 | 109.1 | ||||
| 218 | S | 39.7 | Very low | 39.9 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | trans | -93.3 | -174.4 | -168 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 219 | E | 37.2 | Very low | 39.6 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 81 | 123.5 | 174.6 | -91 | 89 | -175.7 | 0 | 0 | 115.6 | ||||
| 220 | G | 34.6 | Very low | 39.2 | Very low | 67 Ų | 67 | 146.4 Ų | 146.4 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | cis | 142 | 122.2 | 7.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 221 | K | 41.5 | Very low | 39.1 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | 169.2 | 105 | 147.1 | -96.1 | 162.3 | -178 | 175.1 | 0 | 109.5 | ||||
| 222 | R | 40.7 | Very low | 38.8 | Very low | 231 Ų | 231 | 148 Ų | 148 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | 75.2 | 100.4 | 99.4 | -75.9 | -176 | 134.6 | 99.1 | 1 | 113 | |||||
| 223 | S | 40.2 | Very low | 38.6 | Very low | 117 Ų | 117 | 151.2 Ų | 151.2 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | 92.5 | 136 | 102.3 | -147.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 224 | S | 41.4 | Very low | 38.5 | Very low | 104 Ų | 104 | 147.3 Ų | 147.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -170.2 | 147.4 | 33.2 | 49.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 225 | S | 43.6 | Very low | 38.6 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | 59.7 | 106.9 | 143.4 | -124.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 226 | F | 36.9 | Very low | 38.7 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | trans | -73.4 | 161.4 | 144.4 | 48 | -85.7 | 0 | 0 | 0 | 111.5 | ||||
| 227 | S | 39.8 | Very low | 39 | Very low | 79 Ų | 79 | 145.9 Ų | 145.9 | 55% | 0.552 | 76% | 0.762 | S | S | * | * | trans | 119.2 | 148.3 | 161.8 | -67.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 228 | F | 36.4 | Very low | 38.8 | Very low | 187 Ų | 187 | 141 Ų | 141 | 82% | 0.82 | 75% | 0.754 | S | S | * | * | trans | 87.9 | 126.8 | 166.7 | -47.5 | -66 | 0 | 0 | 0 | 114 | ||||
| 229 | L | 38.6 | Very low | 38.7 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | cis | -164 | 131.1 | 14 | -81 | 128.6 | 0 | 0 | 0 | 106.4 | ||||
| 230 | S | 34.8 | Very low | 38.8 | Very low | 86 Ų | 86 | 141.5 Ų | 141.5 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | 37.5 | 133.6 | 94.2 | 71.5 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 231 | H | 43.6 | Very low | 38.8 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 73% | 0.731 | 77% | 0.772 | S | S | * | * | trans | 113.5 | 135.6 | 164.6 | -68.5 | -47.4 | 0 | 0 | 0 | 113.9 | ||||
| 232 | R | 37.1 | Very low | 38.6 | Very low | 207 Ų | 207 | 146.4 Ų | 146.4 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | cis | -165.3 | 132.6 | 11.9 | -108.1 | 171.9 | -170.9 | -115 | 7.6 | 105.7 | ||||
| 233 | R | 40.7 | Very low | 38.4 | Very low | 206 Ų | 206 | 139.9 Ų | 139.9 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | 60.4 | 125.8 | 91.7 | -75.9 | -169 | -164.6 | 151.2 | 5 | 118.4 | |||||
| 234 | N | 36.8 | Very low | 38.3 | Very low | 129 Ų | 129 | 140.7 Ų | 140.7 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | trans | 83.7 | 115.4 | 141.8 | -62.2 | -12.9 | 0 | 0 | 0 | 117.9 | ||||
| 235 | L | 39.6 | Very low | 37.9 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | 81.8 | 124 | 75.1 | -94.7 | 145.1 | 0 | 0 | 0 | 113.7 | |||||
| 236 | S | 41.1 | Very low | 37.8 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | 106.5 | 122.6 | 147.8 | -49.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 237 | D | 35 | Very low | 37.9 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | 61 | 125.3 | 145 | -78.2 | -23.8 | 0 | 0 | 0 | 121.7 | ||||
| 238 | G | 35.3 | Very low | 37.9 | Very low | 72 Ų | 72 | 148.3 Ų | 148.3 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | 168.7 | 71.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | T240 | G238-T240 PolarHBondContact O-N 2.8Å; G238-T240 VanDerWaalsContact O-N 3.15Å | ||
| 239 | T | 37.2 | Very low | 38.1 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | trans | -59.9 | 107.4 | 166.2 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 240 | T | 40.4 | Very low | 38.4 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -159 | 131.3 | 154.6 | 46.8 | 0 | 0 | 0 | 0 | 112.5 | G238 | G238-T240 PolarHBondContact O-N 2.8Å; G238-T240 VanDerWaalsContact O-N 3.15Å | ||
| 241 | N | 34.1 | Very low | 38.9 | Very low | 156 Ų | 156 | 146 Ų | 146 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -48.3 | 136.9 | 170.4 | -57.9 | -39.8 | 0 | 0 | 0 | 114.5 | ||||
| 242 | K | 36.9 | Very low | 39.3 | Very low | 208 Ų | 208 | 141.1 Ų | 141.1 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | 158.2 | 153.8 | 128.6 | -96.3 | 175.7 | 172.6 | 178.3 | 0 | 112 | |||||
| 243 | A | 37.5 | Very low | 40.3 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | 96.3 | 88.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | G245 | A243-G245 PolarHBondContact O-N 2.73Š| ||
| 244 | T | 37.6 | Very low | 41.1 | Very low | 135 Ų | 135 | 127.6 Ų | 127.6 | 83% | 0.828 | 73% | 0.733 | S | S | * | * | trans | -28.7 | 115.5 | 142.9 | 47.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 245 | G | 33.6 | Very low | 42.1 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | trans | -97.8 | 125.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A243 | A243-G245 PolarHBondContact O-N 2.73Š| ||
| 246 | Y | 39.8 | Very low | 43.5 | Very low | 234 Ų | 234 | 125 Ų | 125 | 92% | 0.918 | 73% | 0.726 | S | S | * | * | trans | -72.5 | 115.8 | 167.5 | -78.7 | -100.3 | 0 | 0 | 0 | 108 | ||||
| 247 | E | 40.7 | Very low | 45.1 | Very low | 192 Ų | 192 | 121.6 Ų | 121.6 | 90% | 0.897 | 70% | 0.7 | S | S | * | * | trans | -97.5 | 118.6 | 162.9 | -68.6 | -106.6 | 129.1 | 0 | 0 | 107.2 | D249 | E247-D249 PolarHBondContact O-N 3.42Š| ||
| 248 | D | 39.5 | Very low | 47.5 | Very low | 138 Ų | 138 | 122.6 Ų | 122.6 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | trans | -72 | 95.8 | 178 | 177.6 | 23.2 | 0 | 0 | 0 | 109.9 | S250 | D248-S250 VanDerWaalsContact C-N 3.27Å; D248-S250 PolarHBondContact O-N 3.43Å; D248-S250 WeakPolarHBondContact OD1-CB 3.34Å; D248-S250 PolarHBondContact OD1-OG 3.03Å | ||
| 249 | D | 39.1 | Very low | 50 | Low | 146 Ų | 146 | 120.6 Ų | 120.6 | 78% | 0.781 | 67% | 0.671 | S | S | * | * | trans | -87.8 | 63.4 | 174.9 | -162 | 27.8 | 0 | 0 | 0 | 110 | E247 L251 | E247-D249 PolarHBondContact O-N 3.42Å; D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact O-N 3.48Å | ||
| 250 | S | 45.2 | Very low | 52.5 | Low | 95 Ų | 95 | 117 Ų | 117 | 66% | 0.664 | 65% | 0.647 | S | S | * | * | trans | -92.2 | 42.4 | 178.5 | -71.2 | 0 | 0 | 0 | 0 | 112.7 | D248 S252 | D248-S250 VanDerWaalsContact C-N 3.27Å; D248-S250 PolarHBondContact O-N 3.43Å; D248-S250 WeakPolarHBondContact OD1-CB 3.34Å; D248-S250 PolarHBondContact OD1-OG 3.03Å; S250-S252 PolarHBondContact O-N 3.44Å | ||
| 251 | L | 46 | Very low | 54.9 | Low | 125 Ų | 125 | 115.2 Ų | 115.2 | 65% | 0.654 | 64% | 0.637 | S | S | * | * | trans | -73.1 | 119.7 | 159.7 | -72.2 | 176.6 | 0 | 0 | 0 | 108 | D249 F253 | D249-L251 VanDerWaalsContact C-N 3.31Å; D249-L251 PolarHBondContact O-N 3.48Å; L251-F253 PolarHBondContact O-N 3.44Å | ||
| 252 | S | 52.7 | Low | 57.7 | Low | 56 Ų | 56 | 112.6 Ų | 112.6 | 39% | 0.392 | 62% | 0.622 | S | S | . | * | trans | -55.9 | 128.1 | 178.1 | 94.8 | 0 | 0 | 0 | 0 | 108.2 | S250 A254 D255 | S250-S252 PolarHBondContact O-N 3.44Å; S252-A254 PolarHBondContact O-N 3.27Å; S252-D255 PolarHBondContact O-N 3.07Å; S252-D255 PolarHBondContact OG-N 3.4Å; S252-D255 PolarHBondContact OG-OD2 3.45Å | ||
| 253 | F | 57.4 | Low | 60.3 | Low | 85 Ų | 85 | 103.1 Ų | 103.1 | 37% | 0.373 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -52.3 | -27.3 | -180 | -179.8 | -110.9 | 0 | 0 | 0 | 111.1 | L251 I257 K464 R467 | L251-F253 PolarHBondContact O-N 3.44Å; F253-I257 HydrophobicContact CD1-CD1 3.45Å; F253-I257 VanDerWaalsContact CD1-CD1 3.45Å; F253-I257 HydrophobicContact CD1-CG1 4.3Å; F253-I257 HydrophobicContact CE1-CD1 3.32Å; F253-I257 HydrophobicContact CE1-CG1 4.03Å; F253-I257 HydrophobicContact CE2-CG1 4.47Å; F253-I257 HydrophobicContact CG-CD1 4.12Å; F253-I257 HydrophobicContact CZ-CD1 3.92Å; F253-I257 HydrophobicContact CZ-CG1 4.12Å; F253-I257 WeakPolarHBondContact O-CD1 3.36Å; F253-I257 WeakPolarHBondContact O-CG1 3.29Å; F253-K464 HydrophobicContact CD1-CD 4.32Å; F253-K464 HydrophobicContact CD1-CG 3.75Å; F253-K464 HydrophobicContact CE1-CG 3.58Å; F253-R467 VanDerWaalsContact CD2-NH1 3.33Å |
| 254 | A | 57.4 | Low | 62.9 | Low | 43 Ų | 43 | 101 Ų | 101 | 36% | 0.355 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -66 | -34.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S252 C256 | S252-A254 PolarHBondContact O-N 3.27Å; A254-C256 PolarHBondContact O-N 3.43Å |
| 255 | D | 58.1 | Low | 65.5 | Low | 130 Ų | 130 | 98.5 Ų | 98.5 | 70% | 0.695 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -78.5 | -5.9 | -172.2 | -65.6 | -41.7 | 0 | 0 | 0 | 114 | S252 | S252-D255 PolarHBondContact O-N 3.07Å; S252-D255 PolarHBondContact OG-N 3.4Å; S252-D255 PolarHBondContact OG-OD2 3.45Å |
| 256 | C | 68 | Low | 68.4 | Low | 99 Ų | 99 | 96.8 Ų | 96.8 | 67% | 0.669 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -121.2 | 10.5 | -179.2 | -66.3 | 0 | 0 | 0 | 0 | 113.8 | A254 | A254-C256 PolarHBondContact O-N 3.43Š|
| 257 | I | 76.2 | Confident | 70.9 | Confident | 32 Ų | 32 | 85.7 Ų | 85.7 | 16% | 0.164 | 47% | 0.472 | C | S | . | . | trans | -94 | 111.3 | -179.8 | -62.7 | 159.3 | 0 | 0 | 0 | 110.3 | F253 I259 V460 | F253-I257 HydrophobicContact CD1-CD1 3.45Å; F253-I257 VanDerWaalsContact CD1-CD1 3.45Å; F253-I257 HydrophobicContact CD1-CG1 4.3Å; F253-I257 HydrophobicContact CE1-CD1 3.32Å; F253-I257 HydrophobicContact CE1-CG1 4.03Å; F253-I257 HydrophobicContact CE2-CG1 4.47Å; F253-I257 HydrophobicContact CG-CD1 4.12Å; F253-I257 HydrophobicContact CZ-CD1 3.92Å; F253-I257 HydrophobicContact CZ-CG1 4.12Å; F253-I257 WeakPolarHBondContact O-CD1 3.36Å; F253-I257 WeakPolarHBondContact O-CG1 3.29Å; I257-I259 HydrophobicContact CG2-CG1 3.87Å; I257-V460 HydrophobicContact CD1-CG1 4.09Å | ||
| 258 | E | 84.5 | Confident | 73.4 | Confident | 191 Ų | 191 | 77.7 Ų | 77.7 | 89% | 0.893 | 44% | 0.44 | S | S | * | . | trans | -84.9 | 115.6 | 160.7 | -168.5 | 172.9 | -178 | 0 | 0 | 108.9 | ||||
| 259 | I | 87 | Confident | 75.8 | Confident | 29 Ų | 29 | 73.2 Ų | 73.2 | 15% | 0.149 | 42% | 0.419 | C | S | . | . | trans | -83.3 | 127.9 | -176.8 | -68.9 | 175.7 | 0 | 0 | 0 | 110 | I257 P261 H264 Y456 Y459 V460 | I257-I259 HydrophobicContact CG2-CG1 3.87Å; I259-P261 VanDerWaalsContact O-CD 3.26Å; I259-P261 WeakPolarHBondContact O-CD 3.24Å; I259-H264 HydrophobicContact CG2-CB 3.67Å; I259-Y456 HydrophobicContact CD1-CD2 3.63Å; I259-Y456 HydrophobicContact CD1-CE2 3.16Å; I259-Y456 HydrophobicContact CD1-CG 4.49Å; I259-Y456 HydrophobicContact CG1-CE2 4.33Å; I259-Y459 HydrophobicContact CD1-CD1 4.06Å; I259-Y459 HydrophobicContact CG1-CD1 4.38Å; I259-Y459 HydrophobicContact CG1-CE1 4.47Å; I259-Y459 HydrophobicContact CG2-CD1 3.75Å; I259-Y459 HydrophobicContact CG2-CE1 3.46Å; I259-Y459 VanDerWaalsContact CG2-CE1 3.46Å; I259-V460 HydrophobicContact CD1-CG2 3.86Å | ||
| 260 | D | 90.3 | Very high | 78.4 | Confident | 67 Ų | 67 | 66.3 Ų | 66.3 | 36% | 0.358 | 38% | 0.382 | S | S | . | . | trans | -60.4 | 117.4 | 171.8 | 177.9 | -2.1 | 0 | 0 | 0 | 110.8 | I262 C263 H264 | D260-I262 VanDerWaalsContact C-N 3.26Å; D260-I262 PolarHBondContact O-N 2.92Å; D260-I262 WeakPolarHBondContact OD1-CB 3.48Å; D260-I262 PolarHBondContact OD1-N 2.94Å; D260-C263 HydrophobicContact CB-CB 4.22Å; D260-C263 PolarHBondContact O-N 3.32Å; D260-C263 PolarHBondContact OD2-SG 2.89Å; D260-H264 WeakPolarHBondContact O-CB 3.32Å; D260-H264 PolarHBondContact O-N 3.22Å | ||
| 261 | P | 90.7 | Very high | 80.4 | Confident | 94 Ų | 94 | 63.8 Ų | 63.8 | 61% | 0.61 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.2 | -33.4 | 179.3 | -23.6 | 34.2 | 0 | 0 | 0 | 113.7 | I259 C265 | I259-P261 VanDerWaalsContact O-CD 3.26Å; I259-P261 WeakPolarHBondContact O-CD 3.24Å; P261-C265 WeakPolarHBondContact O-CB 3.26Å; P261-C265 PolarHBondContact O-N 3.44Å; P261-C265 PolarHBondContact O-SG 2.94Å |
| 262 | I | 92.6 | Very high | 82.3 | Confident | 102 Ų | 102 | 65.6 Ų | 65.6 | 52% | 0.523 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.1 | -52.3 | -178.2 | -61.9 | 170.8 | 0 | 0 | 0 | 109.2 | D260 H264 C265 E266 | D260-I262 VanDerWaalsContact C-N 3.26Å; D260-I262 PolarHBondContact O-N 2.92Å; D260-I262 WeakPolarHBondContact OD1-CB 3.48Å; D260-I262 PolarHBondContact OD1-N 2.94Å; I262-H264 VanDerWaalsContact C-N 3.29Å; I262-H264 PolarHBondContact O-N 3.24Å; I262-C265 PolarHBondContact O-N 3.3Å; I262-E266 WeakPolarHBondContact O-CG 3.48Å; I262-E266 PolarHBondContact O-N 3.21Å |
| 263 | C | 91.9 | Very high | 83.9 | Confident | 8 Ų | 8 | 66.7 Ų | 66.7 | 5% | 0.054 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.1 | -33.7 | -179.5 | -63.4 | 0 | 0 | 0 | 0 | 112 | D260 F267 R286 Y459 | D260-C263 HydrophobicContact CB-CB 4.22Å; D260-C263 PolarHBondContact O-N 3.32Å; D260-C263 PolarHBondContact OD2-SG 2.89Å; C263-F267 PolarHBondContact O-N 3.39Å; C263-R286 PolarHBondContact SG-NH1 3.33Å; C263-Y459 WeakPolarHBondContact CB-OH 3.25Å |
| 264 | H | 92.4 | Very high | 85.2 | Confident | 48 Ų | 48 | 67 Ų | 67 | 22% | 0.222 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68 | -42.1 | 175.2 | -178.3 | -91.9 | 0 | 0 | 0 | 112.3 | I259 D260 I262 F267 A268 Y459 | I259-H264 HydrophobicContact CG2-CB 3.67Å; D260-H264 WeakPolarHBondContact O-CB 3.32Å; D260-H264 PolarHBondContact O-N 3.22Å; I262-H264 VanDerWaalsContact C-N 3.29Å; I262-H264 PolarHBondContact O-N 3.24Å; H264-F267 PolarHBondContact O-N 2.59Å; H264-A268 WeakPolarHBondContact O-CB 3.28Å; H264-A268 PolarHBondContact O-N 2.92Å; H264-Y459 HydrophobicContact CB-CE1 4.37Å; H264-Y459 AromaticContact CD2-CD1 3.9Å; H264-Y459 AromaticContact CD2-CG 3.92Å |
| 265 | C | 92.9 | Very high | 86.5 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 174.8 | -75 | 0 | 0 | 0 | 0 | 112.2 | P261 I262 F267 A268 S269 | P261-C265 WeakPolarHBondContact O-CB 3.26Å; P261-C265 PolarHBondContact O-N 3.44Å; P261-C265 PolarHBondContact O-SG 2.94Å; I262-C265 PolarHBondContact O-N 3.3Å; C265-F267 VanDerWaalsContact C-N 3.32Å; C265-F267 PolarHBondContact O-N 3.5Å; C265-A268 PolarHBondContact O-N 3.47Å; C265-S269 PolarHBondContact O-N 3.36Å |
| 266 | E | 93.7 | Very high | 87.8 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 17% | 0.168 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 174.6 | -69.6 | 176.2 | -177.6 | 0 | 0 | 112 | I262 S269 W270 H281 P282 F283 R286 | I262-E266 WeakPolarHBondContact O-CG 3.48Å; I262-E266 PolarHBondContact O-N 3.21Å; E266-S269 PolarHBondContact O-OG 2.87Å; E266-W270 PolarHBondContact O-N 2.85Å; E266-H281 PolarHBondContact O-CE1 2.67Å; E266-P282 HydrophobicContact CG-CB 4Å; E266-F283 HydrophobicContact CB-CB 4.05Å; E266-F283 WeakPolarHBondContact O-CB 3.49Å; E266-R286 IonicContact OE1-CZ 3.55Å; E266-R286 IonicContact OE1-NE 3.72Å; E266-R286 IonicContact OE1-NH2 2.71Å; E266-R286 PolarHBondContact OE1-NH2 3.32Å; E266-R286 IonicContact OE2-CZ 3.48Å; E266-R286 IonicContact OE2-NE 2.67Å; E266-R286 PolarHBondContact OE2-NE 2.94Å; E266-R286 IonicContact OE2-NH2 3.43Å; E266-R286 PolarHBondContact OE2-NH2 3.04Å |
| 267 | F | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.6 | -42.1 | 175 | 174.9 | -107.1 | 0 | 0 | 0 | 112.3 | C263 H264 C265 S269 W270 R271 F283 L446 I455 Y459 V462 | C263-F267 PolarHBondContact O-N 3.39Å; H264-F267 PolarHBondContact O-N 2.59Å; C265-F267 VanDerWaalsContact C-N 3.32Å; C265-F267 PolarHBondContact O-N 3.5Å; F267-S269 VanDerWaalsContact C-N 3.31Å; F267-S269 PolarHBondContact O-N 3.33Å; F267-W270 AromaticContact CD2-CE3 3.99Å; F267-W270 HydrophobicContact CD2-CE3 3.99Å; F267-W270 HydrophobicContact CD2-CZ3 4.49Å; F267-W270 AromaticContact CE2-CE3 3.83Å; F267-W270 HydrophobicContact CE2-CE3 3.83Å; F267-W270 AromaticContact CE2-CZ3 3.91Å; F267-W270 HydrophobicContact CE2-CZ3 3.91Å; F267-W270 PolarHBondContact O-N 3.25Å; F267-R271 WeakPolarHBondContact O-CB 3.46Å; F267-R271 PolarHBondContact O-N 3.01Å; F267-F283 HydrophobicContact CB-CD2 3.91Å; F267-F283 HydrophobicContact CB-CE2 3.92Å; F267-F283 HydrophobicContact CD2-CD1 4.49Å; F267-F283 HydrophobicContact CD2-CD2 4.23Å; F267-F283 AromaticContact CD2-CE1 3.94Å; F267-F283 HydrophobicContact CD2-CE1 3.94Å; F267-F283 AromaticContact CD2-CE2 3.64Å; F267-F283 HydrophobicContact CD2-CE2 3.64Å; F267-F283 AromaticContact CD2-CZ 3.48Å; F267-F283 HydrophobicContact CD2-CZ 3.48Å; F267-F283 VanDerWaalsContact CD2-CZ 3.48Å; F267-F283 HydrophobicContact CE2-CE1 4.5Å; F267-F283 HydrophobicContact CE2-CZ 4.11Å; F267-F283 HydrophobicContact CG-CE2 4.23Å; F267-F283 HydrophobicContact CG-CZ 4.48Å; F267-L446 HydrophobicContact CE2-CD1 4.33Å; F267-L446 HydrophobicContact CZ-CD1 4.17Å; F267-I455 HydrophobicContact CD1-CG2 4.18Å; F267-I455 HydrophobicContact CE1-CG2 4.19Å; F267-Y459 HydrophobicContact CB-CD2 3.46Å; F267-Y459 VanDerWaalsContact CB-CD2 3.46Å; F267-Y459 HydrophobicContact CB-CE2 3.68Å; F267-Y459 AromaticContact CD1-CD2 3.52Å; F267-Y459 HydrophobicContact CD1-CD2 3.52Å; F267-Y459 HydrophobicContact CD1-CG 4.01Å; F267-Y459 HydrophobicContact CD2-CD2 4.07Å; F267-Y459 HydrophobicContact CE1-CD2 4.23Å; F267-Y459 HydrophobicContact CE1-CG 4.49Å; F267-Y459 AromaticContact CG-CD2 3.41Å; F267-Y459 HydrophobicContact CG-CD2 3.41Å; F267-Y459 VanDerWaalsContact CG-CD2 3.41Å; F267-Y459 HydrophobicContact CG-CE2 4.11Å; F267-Y459 HydrophobicContact CG-CG 4.34Å; F267-V462 HydrophobicContact CE2-CG2 3.92Å; F267-V462 HydrophobicContact CZ-CG2 4.35Å |
| 268 | A | 91.8 | Very high | 88.9 | Confident | 25 Ų | 25 | 65.2 Ų | 65.2 | 21% | 0.207 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | H264 C265 R271 E272 I455 | H264-A268 WeakPolarHBondContact O-CB 3.28Å; H264-A268 PolarHBondContact O-N 2.92Å; C265-A268 PolarHBondContact O-N 3.47Å; A268-R271 WeakPolarHBondContact O-CB 3.38Å; A268-R271 PolarHBondContact O-N 3.37Å; A268-E272 PolarHBondContact O-N 3.42Å; A268-I455 HydrophobicContact CB-CG2 4.38Å |
| 269 | S | 91.8 | Very high | 88.8 | Confident | 44 Ų | 44 | 59.1 Ų | 59.1 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.9 | -37.6 | 175.4 | 77.7 | 0 | 0 | 0 | 0 | 112.5 | C265 E266 F267 R271 E272 H281 | C265-S269 PolarHBondContact O-N 3.36Å; E266-S269 PolarHBondContact O-OG 2.87Å; F267-S269 VanDerWaalsContact C-N 3.31Å; F267-S269 PolarHBondContact O-N 3.33Å; S269-R271 VanDerWaalsContact C-N 3.3Å; S269-R271 PolarHBondContact O-N 3.37Å; S269-E272 PolarHBondContact O-N 2.88Å; S269-H281 PolarHBondContact OG-CE1 3.14Å; S269-H281 PolarHBondContact OG-NE2 2.95Å; S269-H281 VanDerWaalsContact OG-NE2 3.16Å |
| 270 | W | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 174.3 | 178.2 | 71.5 | 0 | 0 | 0 | 111.3 | E266 F267 E272 T273 Y274 D275 I276 H281 F283 L443 L446 | E266-W270 PolarHBondContact O-N 2.85Å; F267-W270 AromaticContact CD2-CE3 3.99Å; F267-W270 HydrophobicContact CD2-CE3 3.99Å; F267-W270 HydrophobicContact CD2-CZ3 4.49Å; F267-W270 AromaticContact CE2-CE3 3.83Å; F267-W270 HydrophobicContact CE2-CE3 3.83Å; F267-W270 AromaticContact CE2-CZ3 3.91Å; F267-W270 HydrophobicContact CE2-CZ3 3.91Å; F267-W270 PolarHBondContact O-N 3.25Å; W270-E272 PolarHBondContact O-N 3.03Å; W270-T273 PolarHBondContact O-N 3.19Å; W270-T273 PolarHBondContact O-OG1 3.06Å; W270-Y274 PolarHBondContact O-N 3.07Å; W270-D275 PolarHBondContact NE1-O 3.39Å; W270-I276 HydrophobicContact CZ2-CG1 4.4Å; W270-H281 VanDerWaalsContact CB-CE1 3.45Å; W270-H281 WeakPolarHBondContact CB-CE1 3.4Å; W270-H281 PolarHBondContact N-CE1 3.04Å; W270-H281 PolarHBondContact N-NE2 3.25Å; W270-F283 HydrophobicContact CB-CB 4.02Å; W270-F283 HydrophobicContact CB-CD1 3.83Å; W270-F283 HydrophobicContact CB-CG 4.15Å; W270-F283 AromaticContact CD2-CD1 3.79Å; W270-F283 HydrophobicContact CD2-CD1 3.79Å; W270-F283 AromaticContact CD2-CE1 3.93Å; W270-F283 HydrophobicContact CD2-CE1 3.93Å; W270-F283 HydrophobicContact CE3-CD1 4.15Å; W270-F283 AromaticContact CE3-CE1 3.9Å; W270-F283 HydrophobicContact CE3-CE1 3.9Å; W270-F283 AromaticContact CG-CD1 3.62Å; W270-F283 HydrophobicContact CG-CD1 3.62Å; W270-F283 HydrophobicContact CG-CE1 4.26Å; W270-F283 HydrophobicContact CG-CG 4.41Å; W270-F283 HydrophobicContact CZ3-CE1 4.45Å; W270-L443 HydrophobicContact CH2-CB 4.02Å; W270-L443 HydrophobicContact CH2-CD2 3.63Å; W270-L443 HydrophobicContact CH2-CG 4.35Å; W270-L443 HydrophobicContact CZ2-CB 4.45Å; W270-L443 HydrophobicContact CZ2-CD2 4.37Å; W270-L443 HydrophobicContact CZ3-CD2 3.71Å; W270-L446 HydrophobicContact CZ3-CD1 4.35Å |
| 271 | R | 87.6 | Confident | 88.8 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 16% | 0.158 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -22.5 | 179.9 | -163.8 | -176.1 | 176.1 | 166.9 | 6.6 | 113 | F267 A268 S269 Y274 H453 G454 | F267-R271 WeakPolarHBondContact O-CB 3.46Å; F267-R271 PolarHBondContact O-N 3.01Å; A268-R271 WeakPolarHBondContact O-CB 3.38Å; A268-R271 PolarHBondContact O-N 3.37Å; S269-R271 VanDerWaalsContact C-N 3.3Å; S269-R271 PolarHBondContact O-N 3.37Å; R271-Y274 HydrophobicContact CG-CE1 3.72Å; R271-Y274 WeakPolarHBondContact CG-OH 3.48Å; R271-Y274 PolarHBondContact NE-OH 2.73Å; R271-Y274 WeakPolarHBondContact O-CD2 3.35Å; R271-Y274 WeakPolarHBondContact O-CE2 3.3Å; R271-H453 PolarHBondContact NH1-O 3.44Å; R271-H453 PolarHBondContact NH2-O 3.2Å; R271-G454 PolarHBondContact NH1-O 3.46Å |
| 272 | E | 86.3 | Confident | 88.9 | Confident | 163 Ų | 163 | 60.5 Ų | 60.5 | 76% | 0.762 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -74.2 | -29.6 | 173.9 | -66.5 | 174.8 | 178.6 | 0 | 0 | 112.4 | A268 S269 W270 | A268-E272 PolarHBondContact O-N 3.42Å; S269-E272 PolarHBondContact O-N 2.88Å; W270-E272 PolarHBondContact O-N 3.03Å |
| 273 | T | 85.3 | Confident | 88.9 | Confident | 80 Ų | 80 | 55.9 Ų | 55.9 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -95.8 | -29.7 | -177.1 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | W270 D275 | W270-T273 PolarHBondContact O-N 3.19Å; W270-T273 PolarHBondContact O-OG1 3.06Å; T273-D275 PolarHBondContact O-N 3.17Å |
| 274 | Y | 84.8 | Confident | 89 | Confident | 90 Ų | 90 | 55.5 Ų | 55.5 | 35% | 0.353 | 30% | 0.3 | S | S | . | . | trans | 51.9 | 16 | -174.1 | -66.9 | -72.1 | 0 | 0 | 0 | 115.2 | W270 R271 I276 L446 S447 | W270-Y274 PolarHBondContact O-N 3.07Å; R271-Y274 HydrophobicContact CG-CE1 3.72Å; R271-Y274 WeakPolarHBondContact CG-OH 3.48Å; R271-Y274 PolarHBondContact NE-OH 2.73Å; R271-Y274 WeakPolarHBondContact O-CD2 3.35Å; R271-Y274 WeakPolarHBondContact O-CE2 3.3Å; Y274-I276 PolarHBondContact O-N 2.84Å; Y274-L446 WeakPolarHBondContact CE1-O 3.42Å; Y274-S447 VanDerWaalsContact O-CB 3.27Å; Y274-S447 WeakPolarHBondContact O-CB 3.39Å | ||
| 275 | D | 85.4 | Confident | 89 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 31% | 0.31 | 31% | 0.311 | S | S | . | . | trans | -85.9 | 106.1 | -176.3 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | W270 T273 T277 N278 | W270-D275 PolarHBondContact NE1-O 3.39Å; T273-D275 PolarHBondContact O-N 3.17Å; D275-T277 VanDerWaalsContact C-N 3.31Å; D275-T277 WeakPolarHBondContact OD1-CA 3.42Å; D275-T277 WeakPolarHBondContact OD1-CB 3.38Å; D275-T277 PolarHBondContact OD1-N 3.37Å; D275-T277 PolarHBondContact OD1-OG1 3.5Å; D275-N278 HydrophobicContact CB-CB 4.22Å; D275-N278 PolarHBondContact OD1-N 2.96Å; D275-N278 WeakPolarHBondContact OD2-CB 3.44Å | ||
| 276 | I | 84.7 | Confident | 89.1 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 19% | 0.185 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -81.1 | -15 | 176.5 | -145 | 170.2 | 0 | 0 | 0 | 112.6 | W270 Y274 F440 L443 R444 | W270-I276 HydrophobicContact CZ2-CG1 4.4Å; Y274-I276 PolarHBondContact O-N 2.84Å; I276-F440 HydrophobicContact CD1-CD1 4.28Å; I276-L443 HydrophobicContact CD1-CB 3.54Å; I276-L443 HydrophobicContact CG1-CB 4.35Å; I276-R444 HydrophobicContact CD1-CG 3.68Å |
| 277 | T | 82.2 | Confident | 89.1 | Confident | 111 Ų | 111 | 55.5 Ų | 55.5 | 68% | 0.681 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -84.1 | -22 | -178.8 | 71.4 | 0 | 0 | 0 | 0 | 112.2 | D275 T279 | D275-T277 VanDerWaalsContact C-N 3.31Å; D275-T277 WeakPolarHBondContact OD1-CA 3.42Å; D275-T277 WeakPolarHBondContact OD1-CB 3.38Å; D275-T277 PolarHBondContact OD1-N 3.37Å; D275-T277 PolarHBondContact OD1-OG1 3.5Å; T277-T279 VanDerWaalsContact C-N 3.34Å; T277-T279 PolarHBondContact O-N 3.47Å |
| 278 | N | 84.5 | Confident | 89.1 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | trans | -76.1 | 80.6 | 176.7 | -172.7 | -4.8 | 0 | 0 | 0 | 112.2 | D275 E280 H281 L284 | D275-N278 HydrophobicContact CB-CB 4.22Å; D275-N278 PolarHBondContact OD1-N 2.96Å; D275-N278 WeakPolarHBondContact OD2-CB 3.44Å; N278-E280 PolarHBondContact O-N 3.48Å; N278-E280 VanDerWaalsContact O-N 3.15Å; N278-E280 PolarHBondContact OD1-N 3.14Å; N278-H281 WeakPolarHBondContact O-CB 3.31Å; N278-H281 PolarHBondContact O-N 3.27Å; N278-H281 PolarHBondContact OD1-N 3.28Å; N278-L284 WeakPolarHBondContact O-CD1 3.2Å | ||
| 279 | T | 81.9 | Confident | 89.2 | Confident | 63 Ų | 63 | 60.1 Ų | 60.1 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.6 | 175.5 | 47.7 | 0 | 0 | 0 | 0 | 114.3 | T277 F288 | T277-T279 VanDerWaalsContact C-N 3.34Å; T277-T279 PolarHBondContact O-N 3.47Å; T279-F288 HydrophobicContact CG2-CD2 4.34Å; T279-F288 HydrophobicContact CG2-CE2 3.71Å; T279-F288 HydrophobicContact CG2-CZ 3.98Å |
| 280 | E | 87.7 | Confident | 89.3 | Confident | 127 Ų | 127 | 62.1 Ų | 62.1 | 59% | 0.593 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -10.6 | 177.3 | -65.4 | -54.5 | 139.3 | 0 | 0 | 113.4 | N278 K285 | N278-E280 PolarHBondContact O-N 3.48Å; N278-E280 VanDerWaalsContact O-N 3.15Å; N278-E280 PolarHBondContact OD1-N 3.14Å; E280-K285 IonicContact OE2-NZ 3.22Å; E280-K285 PolarHBondContact OE2-NZ 3.42Å |
| 281 | H | 90.5 | Very high | 89.4 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 11% | 0.106 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -61.2 | 133.8 | 175.1 | -171.6 | -77.2 | 0 | 0 | 0 | 110.5 | E266 S269 W270 N278 F283 L284 K285 | E266-H281 PolarHBondContact O-CE1 2.67Å; S269-H281 PolarHBondContact OG-CE1 3.14Å; S269-H281 PolarHBondContact OG-NE2 2.95Å; S269-H281 VanDerWaalsContact OG-NE2 3.16Å; W270-H281 VanDerWaalsContact CB-CE1 3.45Å; W270-H281 WeakPolarHBondContact CB-CE1 3.4Å; W270-H281 PolarHBondContact N-CE1 3.04Å; W270-H281 PolarHBondContact N-NE2 3.25Å; N278-H281 WeakPolarHBondContact O-CB 3.31Å; N278-H281 PolarHBondContact O-N 3.27Å; N278-H281 PolarHBondContact OD1-N 3.28Å; H281-F283 VanDerWaalsContact C-N 3.32Å; H281-F283 PolarHBondContact ND1-N 3.32Å; H281-F283 PolarHBondContact O-N 3.14Å; H281-F283 VanDerWaalsContact O-N 3.15Å; H281-L284 PolarHBondContact O-N 3.39Å; H281-L284 VanDerWaalsContact O-N 3.08Å; H281-K285 WeakPolarHBondContact O-CB 3.21Å; H281-K285 PolarHBondContact O-N 3Å |
| 282 | P | 92.3 | Very high | 89.6 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -48.5 | -46.8 | -174.4 | -30.8 | 34.9 | 0 | 0 | 0 | 114.7 | E266 K285 R286 | E266-P282 HydrophobicContact CG-CB 4Å; P282-K285 PolarHBondContact O-N 3.35Å; P282-R286 WeakPolarHBondContact O-CB 3.31Å; P282-R286 PolarHBondContact O-N 2.87Å |
| 283 | F | 94 | Very high | 89.9 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 2% | 0.022 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.2 | -52.9 | 176.8 | 172.1 | -110.2 | 0 | 0 | 0 | 113.6 | E266 F267 W270 H281 R286 I287 L443 V462 | E266-F283 HydrophobicContact CB-CB 4.05Å; E266-F283 WeakPolarHBondContact O-CB 3.49Å; F267-F283 HydrophobicContact CB-CD2 3.91Å; F267-F283 HydrophobicContact CB-CE2 3.92Å; F267-F283 HydrophobicContact CD2-CD1 4.49Å; F267-F283 HydrophobicContact CD2-CD2 4.23Å; F267-F283 AromaticContact CD2-CE1 3.94Å; F267-F283 HydrophobicContact CD2-CE1 3.94Å; F267-F283 AromaticContact CD2-CE2 3.64Å; F267-F283 HydrophobicContact CD2-CE2 3.64Å; F267-F283 AromaticContact CD2-CZ 3.48Å; F267-F283 HydrophobicContact CD2-CZ 3.48Å; F267-F283 VanDerWaalsContact CD2-CZ 3.48Å; F267-F283 HydrophobicContact CE2-CE1 4.5Å; F267-F283 HydrophobicContact CE2-CZ 4.11Å; F267-F283 HydrophobicContact CG-CE2 4.23Å; F267-F283 HydrophobicContact CG-CZ 4.48Å; W270-F283 HydrophobicContact CB-CB 4.02Å; W270-F283 HydrophobicContact CB-CD1 3.83Å; W270-F283 HydrophobicContact CB-CG 4.15Å; W270-F283 AromaticContact CD2-CD1 3.79Å; W270-F283 HydrophobicContact CD2-CD1 3.79Å; W270-F283 AromaticContact CD2-CE1 3.93Å; W270-F283 HydrophobicContact CD2-CE1 3.93Å; W270-F283 HydrophobicContact CE3-CD1 4.15Å; W270-F283 AromaticContact CE3-CE1 3.9Å; W270-F283 HydrophobicContact CE3-CE1 3.9Å; W270-F283 AromaticContact CG-CD1 3.62Å; W270-F283 HydrophobicContact CG-CD1 3.62Å; W270-F283 HydrophobicContact CG-CE1 4.26Å; W270-F283 HydrophobicContact CG-CG 4.41Å; W270-F283 HydrophobicContact CZ3-CE1 4.45Å; H281-F283 VanDerWaalsContact C-N 3.32Å; H281-F283 PolarHBondContact ND1-N 3.32Å; H281-F283 PolarHBondContact O-N 3.14Å; H281-F283 VanDerWaalsContact O-N 3.15Å; F283-R286 PolarHBondContact O-N 3.5Å; F283-I287 HydrophobicContact CD1-CD1 4.25Å; F283-I287 HydrophobicContact CD2-CD1 4.11Å; F283-I287 HydrophobicContact CE1-CD1 3.65Å; F283-I287 HydrophobicContact CE2-CD1 3.48Å; F283-I287 VanDerWaalsContact CE2-CD1 3.48Å; F283-I287 HydrophobicContact CE2-CG1 4.41Å; F283-I287 HydrophobicContact CG-CD1 4.46Å; F283-I287 HydrophobicContact CZ-CD1 3.21Å; F283-I287 PolarHBondContact O-N 3.46Å; F283-I287 VanDerWaalsContact O-N 3.14Å; F283-L443 HydrophobicContact CE1-CD1 4.49Å; F283-L443 HydrophobicContact CE1-CD2 3.99Å; F283-L443 HydrophobicContact CZ-CD2 4.19Å; F283-V462 HydrophobicContact CE2-CG1 4.21Å; F283-V462 HydrophobicContact CZ-CG1 4.01Å |
| 284 | L | 92.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.4 | -43.2 | -178.9 | -71.7 | 179 | 0 | 0 | 0 | 110.3 | N278 H281 R286 I287 F288 L443 | N278-L284 WeakPolarHBondContact O-CD1 3.2Å; H281-L284 PolarHBondContact O-N 3.39Å; H281-L284 VanDerWaalsContact O-N 3.08Å; L284-R286 VanDerWaalsContact C-N 3.27Å; L284-R286 PolarHBondContact O-N 2.92Å; L284-I287 PolarHBondContact O-N 3.43Å; L284-I287 VanDerWaalsContact O-N 3.13Å; L284-F288 HydrophobicContact CB-CD2 4.29Å; L284-F288 HydrophobicContact CB-CE2 4.35Å; L284-F288 WeakPolarHBondContact O-CD2 3.39Å; L284-F288 PolarHBondContact O-N 2.84Å; L284-L443 HydrophobicContact CD2-CD1 4.07Å |
| 285 | K | 93.4 | Very high | 90.7 | Very high | 104 Ų | 104 | 52.6 Ų | 52.6 | 45% | 0.452 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -54.1 | -44.6 | 176.5 | -172.7 | 170 | -170.7 | 153.3 | 0 | 111.9 | E280 H281 P282 F288 V289 | E280-K285 IonicContact OE2-NZ 3.22Å; E280-K285 PolarHBondContact OE2-NZ 3.42Å; H281-K285 WeakPolarHBondContact O-CB 3.21Å; H281-K285 PolarHBondContact O-N 3Å; P282-K285 PolarHBondContact O-N 3.35Å; K285-F288 PolarHBondContact O-N 3.4Å; K285-V289 VanDerWaalsContact O-CG2 3.31Å; K285-V289 WeakPolarHBondContact O-CG2 3.3Å; K285-V289 PolarHBondContact O-N 2.84Å |
| 286 | R | 93.5 | Very high | 91.1 | Very high | 63 Ų | 63 | 49.9 Ų | 49.9 | 24% | 0.238 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.6 | -51.4 | 175.2 | -171 | -176.2 | -66.4 | -119 | 0.1 | 111.7 | C263 E266 P282 F283 L284 F288 V289 E290 | C263-R286 PolarHBondContact SG-NH1 3.33Å; E266-R286 IonicContact OE1-CZ 3.55Å; E266-R286 IonicContact OE1-NE 3.72Å; E266-R286 IonicContact OE1-NH2 2.71Å; E266-R286 PolarHBondContact OE1-NH2 3.32Å; E266-R286 IonicContact OE2-CZ 3.48Å; E266-R286 IonicContact OE2-NE 2.67Å; E266-R286 PolarHBondContact OE2-NE 2.94Å; E266-R286 IonicContact OE2-NH2 3.43Å; E266-R286 PolarHBondContact OE2-NH2 3.04Å; P282-R286 WeakPolarHBondContact O-CB 3.31Å; P282-R286 PolarHBondContact O-N 2.87Å; F283-R286 PolarHBondContact O-N 3.5Å; L284-R286 VanDerWaalsContact C-N 3.27Å; L284-R286 PolarHBondContact O-N 2.92Å; R286-F288 VanDerWaalsContact C-N 3.29Å; R286-F288 PolarHBondContact O-N 3.49Å; R286-V289 PolarHBondContact O-N 3.22Å; R286-E290 VanDerWaalsContact CG-CD 3.44Å; R286-E290 HydrophobicContact CG-CG 4.26Å; R286-E290 VanDerWaalsContact CG-OE1 3.25Å; R286-E290 WeakPolarHBondContact CG-OE1 3.44Å; R286-E290 WeakPolarHBondContact O-CB 3.47Å; R286-E290 WeakPolarHBondContact O-CG 3.31Å; R286-E290 PolarHBondContact O-N 3.03Å |
| 287 | I | 93.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 177 | -74.8 | 174.4 | 0 | 0 | 0 | 111.7 | F283 L284 D291 V292 L439 | F283-I287 HydrophobicContact CD1-CD1 4.25Å; F283-I287 HydrophobicContact CD2-CD1 4.11Å; F283-I287 HydrophobicContact CE1-CD1 3.65Å; F283-I287 HydrophobicContact CE2-CD1 3.48Å; F283-I287 VanDerWaalsContact CE2-CD1 3.48Å; F283-I287 HydrophobicContact CE2-CG1 4.41Å; F283-I287 HydrophobicContact CG-CD1 4.46Å; F283-I287 HydrophobicContact CZ-CD1 3.21Å; F283-I287 PolarHBondContact O-N 3.46Å; F283-I287 VanDerWaalsContact O-N 3.14Å; L284-I287 PolarHBondContact O-N 3.43Å; L284-I287 VanDerWaalsContact O-N 3.13Å; I287-D291 WeakPolarHBondContact O-CA 3.17Å; I287-D291 WeakPolarHBondContact O-CB 3.23Å; I287-D291 PolarHBondContact O-N 3.19Å; I287-V292 HydrophobicContact CG2-CG2 3.83Å; I287-V292 PolarHBondContact O-N 3.01Å; I287-L439 HydrophobicContact CG2-CD2 3.61Å |
| 288 | F | 93 | Very high | 92 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 16% | 0.162 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -63.8 | -46.2 | -179.8 | -88.3 | -74.6 | 0 | 0 | 0 | 112 | T279 L284 K285 R286 V292 Q293 L312 F440 | T279-F288 HydrophobicContact CG2-CD2 4.34Å; T279-F288 HydrophobicContact CG2-CE2 3.71Å; T279-F288 HydrophobicContact CG2-CZ 3.98Å; L284-F288 HydrophobicContact CB-CD2 4.29Å; L284-F288 HydrophobicContact CB-CE2 4.35Å; L284-F288 WeakPolarHBondContact O-CD2 3.39Å; L284-F288 PolarHBondContact O-N 2.84Å; K285-F288 PolarHBondContact O-N 3.4Å; R286-F288 VanDerWaalsContact C-N 3.29Å; R286-F288 PolarHBondContact O-N 3.49Å; F288-V292 HydrophobicContact CD1-CB 4.05Å; F288-V292 HydrophobicContact CD1-CG1 4.03Å; F288-V292 HydrophobicContact CD1-CG2 4.38Å; F288-V292 HydrophobicContact CE1-CG1 4.22Å; F288-Q293 WeakPolarHBondContact O-CB 3.44Å; F288-Q293 PolarHBondContact O-N 3.32Å; F288-L312 HydrophobicContact CE1-CD1 4.13Å; F288-L312 HydrophobicContact CE1-CD2 3.82Å; F288-L312 HydrophobicContact CZ-CD1 4.19Å; F288-L312 HydrophobicContact CZ-CD2 3.53Å; F288-F440 AromaticContact CE1-CZ 3.77Å; F288-F440 HydrophobicContact CE1-CZ 3.77Å; F288-F440 HydrophobicContact CE2-CE1 4.27Å; F288-F440 HydrophobicContact CE2-CZ 4.1Å; F288-F440 AromaticContact CZ-CE1 3.82Å; F288-F440 HydrophobicContact CZ-CE1 3.82Å; F288-F440 AromaticContact CZ-CZ 3.47Å; F288-F440 HydrophobicContact CZ-CZ 3.47Å; F288-F440 VanDerWaalsContact CZ-CZ 3.47Å |
| 289 | V | 94 | Very high | 92.4 | Very high | 85 Ų | 85 | 48.5 Ų | 48.5 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -74 | -43.5 | -176.7 | 173.3 | 0 | 0 | 0 | 0 | 112 | K285 R286 P294 | K285-V289 VanDerWaalsContact O-CG2 3.31Å; K285-V289 WeakPolarHBondContact O-CG2 3.3Å; K285-V289 PolarHBondContact O-N 2.84Å; R286-V289 PolarHBondContact O-N 3.22Å; V289-P294 VanDerWaalsContact O-CD 3.27Å; V289-P294 WeakPolarHBondContact O-CD 3.49Å; V289-P294 WeakPolarHBondContact O-CG 3.48Å |
| 290 | E | 94.5 | Very high | 92.9 | Very high | 86 Ų | 86 | 47.5 Ų | 47.5 | 40% | 0.402 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -82.4 | -39 | -173.8 | -66.9 | 178.3 | -173.6 | 0 | 0 | 112.9 | R286 P294 R466 R473 | R286-E290 VanDerWaalsContact CG-CD 3.44Å; R286-E290 HydrophobicContact CG-CG 4.26Å; R286-E290 VanDerWaalsContact CG-OE1 3.25Å; R286-E290 WeakPolarHBondContact CG-OE1 3.44Å; R286-E290 WeakPolarHBondContact O-CB 3.47Å; R286-E290 WeakPolarHBondContact O-CG 3.31Å; R286-E290 PolarHBondContact O-N 3.03Å; E290-P294 WeakPolarHBondContact O-CG 3.41Å; E290-R466 IonicContact OE2-CZ 3.18Å; E290-R466 IonicContact OE2-NH2 2.66Å; E290-R466 PolarHBondContact OE2-NH2 3.15Å; E290-R473 PolarHBondContact O-NH1 3.28Å |
| 291 | D | 94.5 | Very high | 93.2 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -112.8 | -60.4 | -167.2 | -55.5 | -51.4 | 0 | 0 | 0 | 112 | I287 C295 R466 I469 | I287-D291 WeakPolarHBondContact O-CA 3.17Å; I287-D291 WeakPolarHBondContact O-CB 3.23Å; I287-D291 PolarHBondContact O-N 3.19Å; D291-C295 WeakPolarHBondContact O-CB 3.48Å; D291-C295 PolarHBondContact O-N 3.35Å; D291-R466 IonicContact OD1-NH2 3.39Å; D291-R466 IonicContact OD2-CZ 2.87Å; D291-R466 VanDerWaalsContact OD2-CZ 3.26Å; D291-R466 IonicContact OD2-NE 3.5Å; D291-R466 PolarHBondContact OD2-NE 3.3Å; D291-R466 IonicContact OD2-NH2 3.76Å; D291-R466 PolarHBondContact OD2-NH2 3.43Å; D291-I469 HydrophobicContact CB-CD1 4.45Å; D291-I469 HydrophobicContact CB-CG2 3.93Å |
| 292 | V | 92.7 | Very high | 93.2 | Very high | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -69.5 | -49.9 | -168.4 | 179.8 | 0 | 0 | 0 | 0 | 112 | I287 F288 C295 L296 V436 F440 | I287-V292 HydrophobicContact CG2-CG2 3.83Å; I287-V292 PolarHBondContact O-N 3.01Å; F288-V292 HydrophobicContact CD1-CB 4.05Å; F288-V292 HydrophobicContact CD1-CG1 4.03Å; F288-V292 HydrophobicContact CD1-CG2 4.38Å; F288-V292 HydrophobicContact CE1-CG1 4.22Å; V292-C295 PolarHBondContact O-N 3.44Å; V292-L296 HydrophobicContact CG1-CD1 3.85Å; V292-L296 WeakPolarHBondContact O-CB 3.35Å; V292-L296 PolarHBondContact O-N 2.96Å; V292-V436 HydrophobicContact CG1-CG1 4Å; V292-V436 HydrophobicContact CG2-CG1 4.23Å; V292-F440 HydrophobicContact CG1-CE2 4.25Å; V292-F440 HydrophobicContact CG2-CE2 3.81Å; V292-F440 HydrophobicContact CG2-CZ 4.11Å |
| 293 | Q | 92.6 | Very high | 93.2 | Very high | 115 Ų | 115 | 49.3 Ų | 49.3 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | -177 | 175.8 | 177.3 | 2.5 | 0 | 0 | 111.6 | F288 C295 L296 T297 | F288-Q293 WeakPolarHBondContact O-CB 3.44Å; F288-Q293 PolarHBondContact O-N 3.32Å; Q293-C295 VanDerWaalsContact C-N 3.35Å; Q293-C295 PolarHBondContact O-N 3.39Å; Q293-L296 PolarHBondContact O-N 3.21Å; Q293-T297 PolarHBondContact O-N 3.41Å; Q293-T297 PolarHBondContact O-OG1 2.92Å |
| 294 | P | 93.4 | Very high | 93.2 | Very high | 40 Ų | 40 | 49.1 Ų | 49.1 | 26% | 0.26 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 173.4 | -25.1 | 37.7 | 0 | 0 | 0 | 112.8 | V289 E290 R432 | V289-P294 VanDerWaalsContact O-CD 3.27Å; V289-P294 WeakPolarHBondContact O-CD 3.49Å; V289-P294 WeakPolarHBondContact O-CG 3.48Å; E290-P294 WeakPolarHBondContact O-CG 3.41Å; P294-R432 PolarHBondContact O-NH2 3.29Å |
| 295 | C | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.5 | -25.7 | 179.9 | -167.1 | 0 | 0 | 0 | 0 | 113.6 | D291 V292 Q293 R432 V436 I469 | D291-C295 WeakPolarHBondContact O-CB 3.48Å; D291-C295 PolarHBondContact O-N 3.35Å; V292-C295 PolarHBondContact O-N 3.44Å; Q293-C295 VanDerWaalsContact C-N 3.35Å; Q293-C295 PolarHBondContact O-N 3.39Å; C295-R432 PolarHBondContact O-NE 3.15Å; C295-R432 PolarHBondContact O-NH2 3.16Å; C295-V436 HydrophobicContact CB-CG2 4.05Å; C295-I469 HydrophobicContact CB-CG2 3.57Å |
| 296 | L | 93.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 19.2 | 177.2 | -61.6 | 177.8 | 0 | 0 | 0 | 113.1 | V292 Q293 F298 V307 R308 I311 I433 V436 | V292-L296 HydrophobicContact CG1-CD1 3.85Å; V292-L296 WeakPolarHBondContact O-CB 3.35Å; V292-L296 PolarHBondContact O-N 2.96Å; Q293-L296 PolarHBondContact O-N 3.21Å; L296-F298 HydrophobicContact CB-CE2 4.41Å; L296-F298 HydrophobicContact CD2-CE2 4.01Å; L296-F298 HydrophobicContact CD2-CZ 4.34Å; L296-F298 WeakPolarHBondContact O-CD2 3.45Å; L296-F298 PolarHBondContact O-N 3.32Å; L296-V307 HydrophobicContact CD2-CG1 4.47Å; L296-R308 HydrophobicContact CB-CG 3.83Å; L296-R308 HydrophobicContact CD1-CB 4.5Å; L296-R308 HydrophobicContact CD1-CG 3.55Å; L296-R308 HydrophobicContact CG-CG 4.37Å; L296-R308 PolarHBondContact O-NH1 3.44Å; L296-R308 VanDerWaalsContact O-NH1 3.08Å; L296-I311 HydrophobicContact CD1-CD1 3.58Å; L296-I311 HydrophobicContact CD2-CD1 3.98Å; L296-I311 HydrophobicContact CG-CD1 4.47Å; L296-I433 HydrophobicContact CD2-CG1 4.17Å; L296-V436 HydrophobicContact CD1-CG1 4.08Å; L296-V436 HydrophobicContact CD2-CG2 4.29Å; L296-V436 HydrophobicContact CG-CG2 4.21Å |
| 297 | T | 92.7 | Very high | 93.1 | Very high | 83 Ų | 83 | 47.4 Ų | 47.4 | 51% | 0.509 | 26% | 0.257 | S | S | . | . | trans | -83.1 | 112.3 | 169.7 | -63.2 | 0 | 0 | 0 | 0 | 109.6 | Q293 R432 | Q293-T297 PolarHBondContact O-N 3.41Å; Q293-T297 PolarHBondContact O-OG1 2.92Å; T297-R432 PolarHBondContact O-NH1 3.33Å; T297-R432 VanDerWaalsContact O-NH1 3.17Å; T297-R432 PolarHBondContact O-NH2 3Å | ||
| 298 | F | 93.6 | Very high | 93 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | trans | -125.6 | 162.5 | 177.8 | -58.2 | -72.2 | 0 | 0 | 0 | 110.6 | L296 N300 A304 L403 C429 R432 I433 | L296-F298 HydrophobicContact CB-CE2 4.41Å; L296-F298 HydrophobicContact CD2-CE2 4.01Å; L296-F298 HydrophobicContact CD2-CZ 4.34Å; L296-F298 WeakPolarHBondContact O-CD2 3.45Å; L296-F298 PolarHBondContact O-N 3.32Å; F298-N300 VanDerWaalsContact C-N 3.29Å; F298-N300 PolarHBondContact O-N 3.22Å; F298-A304 HydrophobicContact CB-CB 4.22Å; F298-A304 HydrophobicContact CD2-CB 3.94Å; F298-L403 HydrophobicContact CB-CB 4.27Å; F298-L403 HydrophobicContact CD1-CB 4.14Å; F298-L403 HydrophobicContact CD2-CB 4.43Å; F298-L403 HydrophobicContact CD2-CD2 3.91Å; F298-L403 HydrophobicContact CE2-CD1 4.32Å; F298-L403 HydrophobicContact CE2-CD2 4.33Å; F298-L403 HydrophobicContact CG-CB 4.04Å; F298-L403 HydrophobicContact CG-CD2 4.29Å; F298-L403 HydrophobicContact CZ-CD1 4.39Å; F298-C429 HydrophobicContact CE1-CB 4.09Å; F298-R432 HydrophobicContact CZ-CB 4.23Å; F298-I433 HydrophobicContact CZ-CG1 4.29Å | ||
| 299 | S | 93.6 | Very high | 92.9 | Very high | 83 Ų | 83 | 54.7 Ų | 54.7 | 58% | 0.58 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -59.1 | -39.4 | 179.5 | -43.4 | 0 | 0 | 0 | 0 | 112.4 | V301 L403 S404 | S299-V301 PolarHBondContact O-N 3.02Å; S299-L403 PolarHBondContact N-O 3.3Å; S299-S404 VanDerWaalsContact CB-O 3.28Å; S299-S404 WeakPolarHBondContact CB-O 3.33Å; S299-S404 PolarHBondContact OG-O 3.22Å |
| 300 | N | 92.3 | Very high | 92.7 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 22% | 0.219 | 27% | 0.265 | C | S | . | . | trans | -83.3 | 95.4 | 172.8 | -171.7 | -21 | 0 | 0 | 0 | 110.6 | F298 E302 L303 A304 S402 L403 Q405 | F298-N300 VanDerWaalsContact C-N 3.29Å; F298-N300 PolarHBondContact O-N 3.22Å; N300-E302 PolarHBondContact OD1-N 3.48Å; N300-L303 HydrophobicContact CB-CB 4.26Å; N300-L303 PolarHBondContact OD1-N 3.2Å; N300-L303 VanDerWaalsContact OD1-N 3.14Å; N300-A304 WeakPolarHBondContact O-CB 3.4Å; N300-A304 PolarHBondContact O-N 3.44Å; N300-S402 WeakPolarHBondContact CB-O 3.38Å; N300-S402 PolarHBondContact ND2-O 3.37Å; N300-L403 PolarHBondContact N-O 2.95Å; N300-Q405 HydrophobicContact CB-CG 4.27Å; N300-Q405 PolarHBondContact ND2-NE2 3.2Å | ||
| 301 | V | 93.2 | Very high | 92.6 | Very high | 100 Ų | 100 | 46.9 Ų | 46.9 | 61% | 0.606 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66.6 | -37.7 | -174.5 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | S299 A304 S305 | S299-V301 PolarHBondContact O-N 3.02Å; V301-A304 PolarHBondContact O-N 2.91Å; V301-S305 PolarHBondContact O-N 3.4Å; V301-S305 PolarHBondContact O-OG 3.16Å |
| 302 | E | 91.5 | Very high | 92.3 | Very high | 150 Ų | 150 | 49.7 Ų | 49.7 | 70% | 0.701 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -67.2 | -50 | -179.6 | -65.3 | -178.6 | -174.7 | 0 | 0 | 111.6 | N300 A304 S305 K306 | N300-E302 PolarHBondContact OD1-N 3.48Å; E302-A304 VanDerWaalsContact C-N 3.31Å; E302-A304 PolarHBondContact O-N 3.48Å; E302-S305 PolarHBondContact O-N 3Å; E302-K306 PolarHBondContact O-N 3.46Å; E302-K306 VanDerWaalsContact O-N 3.1Å |
| 303 | L | 92.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 177.1 | -174.2 | 61.1 | 0 | 0 | 0 | 110.9 | N300 S305 K306 V307 L403 M414 T416 Y423 | N300-L303 HydrophobicContact CB-CB 4.26Å; N300-L303 PolarHBondContact OD1-N 3.2Å; N300-L303 VanDerWaalsContact OD1-N 3.14Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.44Å; L303-K306 PolarHBondContact O-N 3.47Å; L303-V307 HydrophobicContact CG-CG2 4.49Å; L303-V307 WeakPolarHBondContact O-CB 3.45Å; L303-V307 VanDerWaalsContact O-CG2 3.31Å; L303-V307 WeakPolarHBondContact O-CG2 3.48Å; L303-V307 PolarHBondContact O-N 2.86Å; L303-L403 HydrophobicContact CB-CD2 4.32Å; L303-L403 HydrophobicContact CD2-CD2 3.73Å; L303-L403 HydrophobicContact CD2-CG 4.11Å; L303-L403 HydrophobicContact CG-CD2 3.74Å; L303-M414 HydrophobicContact CD1-CE 4.32Å; L303-M414 HydrophobicContact CD2-CE 4.39Å; L303-M414 HydrophobicContact CG-CE 4.41Å; L303-T416 HydrophobicContact CD1-CG2 4.49Å; L303-Y423 HydrophobicContact CD1-CD1 4.31Å; L303-Y423 HydrophobicContact CD1-CD2 4.1Å; L303-Y423 HydrophobicContact CD1-CE1 4.15Å; L303-Y423 HydrophobicContact CD1-CE2 3.95Å; L303-Y423 HydrophobicContact CD1-CG 4.28Å; L303-Y423 HydrophobicContact CD2-CD1 3.96Å; L303-Y423 HydrophobicContact CD2-CE1 4.41Å; L303-Y423 HydrophobicContact CD2-CG 4.11Å |
| 304 | A | 93.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F298 N300 V301 E302 V307 R308 | F298-A304 HydrophobicContact CB-CB 4.22Å; F298-A304 HydrophobicContact CD2-CB 3.94Å; N300-A304 WeakPolarHBondContact O-CB 3.4Å; N300-A304 PolarHBondContact O-N 3.44Å; V301-A304 PolarHBondContact O-N 2.91Å; E302-A304 VanDerWaalsContact C-N 3.31Å; E302-A304 PolarHBondContact O-N 3.48Å; A304-V307 PolarHBondContact O-N 3.41Å; A304-R308 PolarHBondContact O-N 3.46Å |
| 305 | S | 91.9 | Very high | 92 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 174.1 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | V301 E302 L303 R308 Q309 | V301-S305 PolarHBondContact O-N 3.4Å; V301-S305 PolarHBondContact O-OG 3.16Å; E302-S305 PolarHBondContact O-N 3Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.44Å; S305-R308 PolarHBondContact O-N 2.95Å; S305-R308 PolarHBondContact OG-NH2 3.42Å; S305-Q309 WeakPolarHBondContact O-CG 3.45Å; S305-Q309 PolarHBondContact O-N 2.84Å; S305-Q309 VanDerWaalsContact O-N 3.08Å |
| 306 | K | 91.7 | Very high | 91.9 | Very high | 91 Ų | 91 | 52.4 Ų | 52.4 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 174 | -68 | 177.1 | -177.7 | 178 | 0 | 111.4 | E302 L303 R308 Q309 S310 T416 | E302-K306 PolarHBondContact O-N 3.46Å; E302-K306 VanDerWaalsContact O-N 3.1Å; L303-K306 PolarHBondContact O-N 3.47Å; K306-R308 PolarHBondContact O-N 3.36Å; K306-Q309 PolarHBondContact O-N 2.93Å; K306-S310 WeakPolarHBondContact O-CB 3.23Å; K306-S310 PolarHBondContact O-N 3.23Å; K306-S310 PolarHBondContact O-OG 3.46Å; K306-T416 HydrophobicContact CB-CG2 4.39Å |
| 307 | V | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59 | -46 | 176.5 | 166.5 | 0 | 0 | 0 | 0 | 111.4 | L296 L303 A304 Q309 S310 I311 I316 L403 M414 T416 I433 | L296-V307 HydrophobicContact CD2-CG1 4.47Å; L303-V307 HydrophobicContact CG-CG2 4.49Å; L303-V307 WeakPolarHBondContact O-CB 3.45Å; L303-V307 VanDerWaalsContact O-CG2 3.31Å; L303-V307 WeakPolarHBondContact O-CG2 3.48Å; L303-V307 PolarHBondContact O-N 2.86Å; A304-V307 PolarHBondContact O-N 3.41Å; V307-Q309 PolarHBondContact O-N 2.78Å; V307-S310 PolarHBondContact O-N 3.1Å; V307-I311 HydrophobicContact CG1-CD1 3.7Å; V307-I311 HydrophobicContact CG1-CG1 4.38Å; V307-I311 VanDerWaalsContact O-CG1 3.23Å; V307-I311 WeakPolarHBondContact O-CG1 3.45Å; V307-I311 PolarHBondContact O-N 2.8Å; V307-I316 HydrophobicContact CG1-CD1 3.89Å; V307-I316 HydrophobicContact CG2-CD1 4.48Å; V307-L403 HydrophobicContact CG2-CD2 4.09Å; V307-M414 HydrophobicContact CG2-CE 3.4Å; V307-M414 VanDerWaalsContact CG2-CE 3.4Å; V307-M414 HydrophobicContact CG2-SD 3.67Å; V307-T416 HydrophobicContact CG2-CG2 4.13Å; V307-I433 HydrophobicContact CG1-CD1 4.15Å; V307-I433 HydrophobicContact CG1-CG1 4.15Å |
| 308 | R | 91.9 | Very high | 91.8 | Very high | 68 Ų | 68 | 52.6 Ų | 52.6 | 26% | 0.257 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.3 | -49.9 | 174.2 | -82.4 | -175 | -64 | -96.7 | 2.7 | 111.7 | L296 A304 S305 K306 S310 I311 L312 | L296-R308 HydrophobicContact CB-CG 3.83Å; L296-R308 HydrophobicContact CD1-CB 4.5Å; L296-R308 HydrophobicContact CD1-CG 3.55Å; L296-R308 HydrophobicContact CG-CG 4.37Å; L296-R308 PolarHBondContact O-NH1 3.44Å; L296-R308 VanDerWaalsContact O-NH1 3.08Å; A304-R308 PolarHBondContact O-N 3.46Å; S305-R308 PolarHBondContact O-N 2.95Å; S305-R308 PolarHBondContact OG-NH2 3.42Å; K306-R308 PolarHBondContact O-N 3.36Å; R308-S310 PolarHBondContact O-N 3.43Å; R308-I311 PolarHBondContact O-N 3.08Å; R308-L312 WeakPolarHBondContact O-CG 3.4Å; R308-L312 PolarHBondContact O-N 3.14Å; R308-L312 VanDerWaalsContact O-N 3.16Å |
| 309 | Q | 90.5 | Very high | 91.6 | Very high | 123 Ų | 123 | 53 Ų | 53 | 58% | 0.575 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.7 | -39.6 | 179.5 | -68.7 | 172.4 | 8.2 | 0 | 0 | 112.4 | S305 K306 V307 L312 S313 | S305-Q309 WeakPolarHBondContact O-CG 3.45Å; S305-Q309 PolarHBondContact O-N 2.84Å; S305-Q309 VanDerWaalsContact O-N 3.08Å; K306-Q309 PolarHBondContact O-N 2.93Å; V307-Q309 PolarHBondContact O-N 2.78Å; Q309-L312 PolarHBondContact O-N 3.26Å; Q309-S313 WeakPolarHBondContact O-CB 3.49Å; Q309-S313 PolarHBondContact O-N 2.99Å; Q309-S313 PolarHBondContact O-OG 3.22Å |
| 310 | S | 91.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 177.3 | -65 | 0 | 0 | 0 | 0 | 112.8 | K306 V307 R308 S313 N314 T315 I316 S417 | K306-S310 WeakPolarHBondContact O-CB 3.23Å; K306-S310 PolarHBondContact O-N 3.23Å; K306-S310 PolarHBondContact O-OG 3.46Å; V307-S310 PolarHBondContact O-N 3.1Å; R308-S310 PolarHBondContact O-N 3.43Å; S310-S313 WeakPolarHBondContact CA-OG 3.37Å; S310-S313 PolarHBondContact O-OG 2.72Å; S310-N314 PolarHBondContact O-N 3.4Å; S310-N314 VanDerWaalsContact O-N 3.14Å; S310-T315 WeakPolarHBondContact CA-OG1 3.45Å; S310-T315 PolarHBondContact O-N 3.02Å; S310-T315 PolarHBondContact O-OG1 3.23Å; S310-I316 PolarHBondContact O-N 3.14Å; S310-S417 PolarHBondContact OG-N 2.76Å; S310-S417 PolarHBondContact OG-OG 2.73Å |
| 311 | I | 92.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -47 | 174.1 | -69.1 | 164.7 | 0 | 0 | 0 | 110.3 | L296 V307 R308 S313 N314 I316 I433 V436 F440 R444 | L296-I311 HydrophobicContact CD1-CD1 3.58Å; L296-I311 HydrophobicContact CD2-CD1 3.98Å; L296-I311 HydrophobicContact CG-CD1 4.47Å; V307-I311 HydrophobicContact CG1-CD1 3.7Å; V307-I311 HydrophobicContact CG1-CG1 4.38Å; V307-I311 VanDerWaalsContact O-CG1 3.23Å; V307-I311 WeakPolarHBondContact O-CG1 3.45Å; V307-I311 PolarHBondContact O-N 2.8Å; R308-I311 PolarHBondContact O-N 3.08Å; I311-S313 PolarHBondContact O-N 3.48Å; I311-N314 PolarHBondContact O-N 2.95Å; I311-N314 VanDerWaalsContact O-N 3.16Å; I311-I316 HydrophobicContact CD1-CD1 4.37Å; I311-I316 HydrophobicContact CG1-CD1 3.88Å; I311-I316 HydrophobicContact CG1-CG2 4.04Å; I311-I433 HydrophobicContact CD1-CG2 4.2Å; I311-V436 HydrophobicContact CG2-CG1 4.15Å; I311-F440 HydrophobicContact CG2-CD2 3.93Å; I311-F440 HydrophobicContact CG2-CE2 4.5Å; I311-R444 PolarHBondContact O-NH2 3.02Å |
| 312 | L | 88.5 | Confident | 89.3 | Confident | 75 Ų | 75 | 53.1 Ų | 53.1 | 39% | 0.393 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | -179.7 | -64.6 | 178.6 | 0 | 0 | 0 | 112.7 | F288 R308 Q309 N314 F440 R444 | F288-L312 HydrophobicContact CE1-CD1 4.13Å; F288-L312 HydrophobicContact CE1-CD2 3.82Å; F288-L312 HydrophobicContact CZ-CD1 4.19Å; F288-L312 HydrophobicContact CZ-CD2 3.53Å; R308-L312 WeakPolarHBondContact O-CG 3.4Å; R308-L312 PolarHBondContact O-N 3.14Å; R308-L312 VanDerWaalsContact O-N 3.16Å; Q309-L312 PolarHBondContact O-N 3.26Å; L312-N314 VanDerWaalsContact C-N 3.26Å; L312-N314 PolarHBondContact O-N 3.29Å; L312-F440 HydrophobicContact CD2-CD1 4.06Å; L312-F440 HydrophobicContact CD2-CE1 3.48Å; L312-F440 VanDerWaalsContact CD2-CE1 3.48Å; L312-F440 HydrophobicContact CD2-CE2 4.03Å; L312-F440 HydrophobicContact CD2-CZ 3.48Å; L312-F440 VanDerWaalsContact CD2-CZ 3.48Å; L312-R444 PolarHBondContact O-NH2 3.46Å |
| 313 | S | 88.9 | Confident | 87.4 | Confident | 68 Ų | 68 | 49.8 Ų | 49.8 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -1.7 | 175.9 | 56.3 | 0 | 0 | 0 | 0 | 114.6 | Q309 S310 I311 T315 | Q309-S313 WeakPolarHBondContact O-CB 3.49Å; Q309-S313 PolarHBondContact O-N 2.99Å; Q309-S313 PolarHBondContact O-OG 3.22Å; S310-S313 WeakPolarHBondContact CA-OG 3.37Å; S310-S313 PolarHBondContact O-OG 2.72Å; I311-S313 PolarHBondContact O-N 3.48Å; S313-T315 VanDerWaalsContact C-N 3.34Å; S313-T315 PolarHBondContact O-N 3.26Å; S313-T315 PolarHBondContact OG-OG1 3.44Å |
| 314 | N | 90.4 | Very high | 84.9 | Confident | 74 Ų | 74 | 54.5 Ų | 54.5 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 36.6 | -176.3 | -156.5 | 35.5 | 0 | 0 | 0 | 114.9 | S310 I311 L312 R444 | S310-N314 PolarHBondContact O-N 3.4Å; S310-N314 VanDerWaalsContact O-N 3.14Å; I311-N314 PolarHBondContact O-N 2.95Å; I311-N314 VanDerWaalsContact O-N 3.16Å; L312-N314 VanDerWaalsContact C-N 3.26Å; L312-N314 PolarHBondContact O-N 3.29Å; N314-R444 PolarHBondContact OD1-NH1 3.29Å |
| 315 | T | 92.3 | Very high | 82.2 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | trans | -114.6 | -2 | -174 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | S310 S313 S417 | S310-T315 WeakPolarHBondContact CA-OG1 3.45Å; S310-T315 PolarHBondContact O-N 3.02Å; S310-T315 PolarHBondContact O-OG1 3.23Å; S313-T315 VanDerWaalsContact C-N 3.34Å; S313-T315 PolarHBondContact O-N 3.26Å; S313-T315 PolarHBondContact OG-OG1 3.44Å; T315-S417 WeakPolarHBondContact OG1-CB 3.16Å | ||
| 316 | I | 91.8 | Very high | 79.2 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 11% | 0.108 | 36% | 0.355 | C | S | . | . | trans | -74 | 135.4 | -179.9 | -163 | 171.1 | 0 | 0 | 0 | 111 | V307 S310 I311 L318 M414 I433 | V307-I316 HydrophobicContact CG1-CD1 3.89Å; V307-I316 HydrophobicContact CG2-CD1 4.48Å; S310-I316 PolarHBondContact O-N 3.14Å; I311-I316 HydrophobicContact CD1-CD1 4.37Å; I311-I316 HydrophobicContact CG1-CD1 3.88Å; I311-I316 HydrophobicContact CG1-CG2 4.04Å; I316-L318 HydrophobicContact CD1-CD1 3.92Å; I316-L318 HydrophobicContact CG1-CD1 3.74Å; I316-L318 HydrophobicContact CG2-CD1 4.35Å; I316-M414 HydrophobicContact CD1-CG 4.24Å; I316-M414 HydrophobicContact CD1-SD 3.87Å; I316-M414 HydrophobicContact CG1-CG 4.1Å; I316-M414 HydrophobicContact CG1-SD 4.36Å; I316-I433 HydrophobicContact CD1-CG2 3.82Å | ||
| 317 | L | 91.8 | Very high | 76.5 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 29% | 0.293 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132 | 176.1 | -62.7 | 172.5 | 0 | 0 | 0 | 109.8 | M414 K415 | L317-M414 CarbonylContact O-C 3.58Å; L317-M414 WeakPolarHBondContact O-CA 3.33Å; L317-K415 HydrophobicContact CB-CB 4.27Å; L317-K415 PolarHBondContact N-O 3.48Å; L317-K415 PolarHBondContact O-N 2.91Å |
| 318 | L | 91.9 | Very high | 73.4 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.3 | 175.4 | -75.9 | 87.6 | 0 | 0 | 0 | 109.4 | I316 R413 M414 R430 I433 | I316-L318 HydrophobicContact CD1-CD1 3.92Å; I316-L318 HydrophobicContact CG1-CD1 3.74Å; I316-L318 HydrophobicContact CG2-CD1 4.35Å; L318-R413 WeakPolarHBondContact CA-O 3.35Å; L318-M414 HydrophobicContact CD1-CG 4.3Å; L318-M414 HydrophobicContact CG-CB 4.35Å; L318-M414 HydrophobicContact CG-CG 4.19Å; L318-R430 HydrophobicContact CD2-CB 4.41Å; L318-R430 HydrophobicContact CD2-CG 3.84Å; L318-I433 HydrophobicContact CD1-CG2 3.85Å; L318-I433 HydrophobicContact CD2-CB 4.35Å; L318-I433 HydrophobicContact CD2-CG2 4.03Å |
| 319 | E | 89.5 | Confident | 70.6 | Confident | 23 Ų | 23 | 82.9 Ų | 82.9 | 11% | 0.107 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.2 | 179.5 | -66.7 | -177.8 | 172.5 | 0 | 0 | 110.2 | R5 Y412 R413 W422 | R5-E319 IonicContact NE-OE1 3.88Å; R5-E319 IonicContact NH2-OE1 3.91Å; E319-Y412 CarbonylContact O-C 3.54Å; E319-Y412 VanDerWaalsContact O-CA 3.32Å; E319-Y412 WeakPolarHBondContact O-CA 3.36Å; E319-R413 HydrophobicContact CB-CG 3.96Å; E319-R413 PolarHBondContact N-O 2.96Å; E319-R413 PolarHBondContact O-N 3.4Å; E319-R413 IonicContact OE2-CZ 2.65Å; E319-R413 IonicContact OE2-NE 3.93Å; E319-R413 PolarHBondContact OE2-NE 2.97Å; E319-R413 IonicContact OE2-NH2 2.8Å; E319-R413 PolarHBondContact OE2-NH2 3.24Å; E319-W422 HydrophobicContact CB-CH2 4.47Å; E319-W422 HydrophobicContact CB-CZ3 4.36Å; E319-W422 HydrophobicContact CG-CH2 3.88Å; E319-W422 HydrophobicContact CG-CZ3 4.15Å; E319-W422 VanDerWaalsContact OE2-CH2 3.24Å; E319-W422 WeakPolarHBondContact OE2-CH2 3.48Å |
| 320 | K | 88.7 | Confident | 67.8 | Low | 87 Ų | 87 | 84.3 Ų | 84.3 | 38% | 0.378 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 130.1 | 170.1 | -169.7 | -175.9 | 178.1 | -164.7 | 0 | 108.1 | C322 E365 Y412 | K320-C322 PolarHBondContact O-N 3.27Å; K320-E365 WeakPolarHBondContact CE-OE1 3.46Å; K320-E365 IonicContact NZ-OE1 3.58Å; K320-E365 PolarHBondContact NZ-OE1 2.91Å; K320-E365 IonicContact NZ-OE2 2.97Å; K320-Y412 HydrophobicContact CB-CD1 4.18Å; K320-Y412 HydrophobicContact CB-CE1 4.05Å; K320-Y412 HydrophobicContact CG-CD1 4.39Å; K320-Y412 HydrophobicContact CG-CE1 4.04Å |
| 321 | L | 82.1 | Confident | 65.1 | Low | 55 Ų | 55 | 92.1 Ų | 92.1 | 29% | 0.288 | 48% | 0.484 | S | S | . | . | trans | -76.4 | 106.2 | 172.4 | -64.2 | 174.7 | 0 | 0 | 0 | 108.3 | N411 R413 L424 | L321-N411 PolarHBondContact N-O 3.17Å; L321-R413 HydrophobicContact CD2-CB 3.98Å; L321-R413 HydrophobicContact CD2-CG 3.66Å; L321-R413 HydrophobicContact CG-CB 4.34Å; L321-R413 HydrophobicContact CG-CG 4.31Å; L321-L424 HydrophobicContact CD1-CD2 3.59Å | ||
| 322 | C | 60.2 | Low | 62.2 | Low | 86 Ų | 86 | 96.3 Ų | 96.3 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | trans | -71.9 | 135.9 | 161.3 | -63.6 | 0 | 0 | 0 | 0 | 107.4 | K320 D324 | K320-C322 PolarHBondContact O-N 3.27Å; C322-D324 PolarHBondContact O-N 2.89Å | ||
| 323 | C | 51.2 | Low | 59.2 | Low | 79 Ų | 79 | 98.3 Ų | 98.3 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | trans | -73.1 | 57.2 | 175.1 | 60.2 | 0 | 0 | 0 | 0 | 111 | F361 | C323-F361 HydrophobicContact CB-CD1 4.42Å; C323-F361 HydrophobicContact CB-CE1 4.01Å; C323-F361 HydrophobicContact CB-CE2 4.19Å; C323-F361 HydrophobicContact CB-CZ 3.87Å; C323-F361 WeakPolarHBondContact SG-CD1 3.04Å; C323-F361 WeakPolarHBondContact SG-CE1 3.45Å | ||
| 324 | D | 39.8 | Very low | 56.5 | Low | 106 Ų | 106 | 100 Ų | 100 | 57% | 0.567 | 54% | 0.543 | S | S | * | . | trans | -117 | 110.6 | 177.7 | -90.3 | -41.9 | 0 | 0 | 0 | 111 | C322 | C322-D324 PolarHBondContact O-N 2.89Š| ||
| 325 | R | 35.2 | Very low | 53.8 | Low | 218 Ų | 218 | 104.8 Ų | 104.8 | 82% | 0.823 | 56% | 0.563 | S | S | * | * | trans | 65 | 136.1 | 174.8 | -56 | -174.4 | -159.9 | -148 | 4.6 | 116 | Q327 | R325-Q327 VanDerWaalsContact C-N 3.33Å; R325-Q327 PolarHBondContact O-N 3.45Å | ||
| 326 | P | 29 | Very low | 50.7 | Low | 117 Ų | 117 | 108 Ų | 108 | 76% | 0.76 | 59% | 0.587 | S | S | * | * | trans | -62.2 | 102.4 | 161.6 | 27.1 | -29.2 | 0 | 0 | 0 | 107 | T328 | P326-T328 PolarHBondContact O-N 2.65Š| ||
| 327 | Q | 36.2 | Very low | 47.7 | Very low | 161 Ų | 161 | 111.4 Ų | 111.4 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | trans | -68.6 | 91.1 | 161 | -68.1 | -156.5 | -7.3 | 0 | 0 | 106.4 | R325 K329 | R325-Q327 VanDerWaalsContact C-N 3.33Å; R325-Q327 PolarHBondContact O-N 3.45Å; Q327-K329 PolarHBondContact O-N 3.2Å | ||
| 328 | T | 28.2 | Very low | 44.7 | Very low | 121 Ų | 121 | 114.3 Ų | 114.3 | 74% | 0.742 | 64% | 0.644 | S | S | * | * | trans | -69.1 | 89.2 | 162.3 | 49 | 0 | 0 | 0 | 0 | 106.9 | P326 | P326-T328 PolarHBondContact O-N 2.65Š| ||
| 329 | K | 32.7 | Very low | 41.7 | Very low | 180 Ų | 180 | 119 Ų | 119 | 78% | 0.783 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 171.5 | 140.9 | 152.2 | -91 | 155.5 | -170.1 | -170.6 | 0 | 106.7 | Q327 | Q327-K329 PolarHBondContact O-N 3.2Š|
| 330 | D | 31.6 | Very low | 38.8 | Very low | 153 Ų | 153 | 123 Ų | 123 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | 87.6 | 60.1 | 171.3 | -39.3 | -31.8 | 0 | 0 | 0 | 116.3 | ||||
| 331 | I | 34.8 | Very low | 36.1 | Very low | 166 Ų | 166 | 127 Ų | 127 | 85% | 0.851 | 73% | 0.729 | S | S | * | * | trans | -98.2 | 117.7 | 147.9 | -61.3 | 170.6 | 0 | 0 | 0 | 106 | S333 | I331-S333 PolarHBondContact O-N 2.97Å; I331-S333 VanDerWaalsContact O-N 3.15Å | ||
| 332 | P | 32.3 | Very low | 33.6 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 59% | 0.591 | 76% | 0.759 | S | S | * | * | trans | -65.4 | 116.7 | 174.2 | -18.5 | 30.9 | 0 | 0 | 0 | 110.1 | S334 | P332-S334 PolarHBondContact O-N 2.93Š| ||
| 333 | S | 24.4 | Very low | 32.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -53.2 | 111.8 | 166.5 | 42.9 | 0 | 0 | 0 | 0 | 111 | I331 | I331-S333 PolarHBondContact O-N 2.97Å; I331-S333 VanDerWaalsContact O-N 3.15Å | ||
| 334 | S | 32.9 | Very low | 31.6 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -154.2 | 130.4 | 150.4 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | P332 | P332-S334 PolarHBondContact O-N 2.93Š| ||
| 335 | Q | 33.1 | Very low | 31.2 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | 84.6 | 75.1 | 160.4 | -51.2 | -173.1 | 17.9 | 0 | 0 | 117.2 | A337 | Q335-A337 PolarHBondContact O-N 2.8Š| ||
| 336 | S | 26.6 | Very low | 31.2 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -14.7 | 118.3 | 131.5 | 52.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 337 | A | 30.3 | Very low | 31.3 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -144.1 | 93.9 | 144 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q335 T339 | Q335-A337 PolarHBondContact O-N 2.8Å; A337-T339 PolarHBondContact O-N 2.99Å | ||
| 338 | S | 27.2 | Very low | 31.2 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -59.1 | 118.9 | 167.4 | 34 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 339 | T | 30.9 | Very low | 31.6 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -147 | 112.4 | 149.3 | -31.3 | 0 | 0 | 0 | 0 | 109.5 | A337 | A337-T339 PolarHBondContact O-N 2.99Š| ||
| 340 | S | 26.6 | Very low | 31.9 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -54 | 122.2 | 170.8 | 47.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 341 | L | 33 | Very low | 32.2 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -138.1 | 106.9 | 150.7 | -81 | 174 | 0 | 0 | 0 | 108.3 | ||||
| 342 | Q | 28.6 | Very low | 32.5 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -68.4 | 129.3 | 161.9 | -70.9 | 167.6 | -44.4 | 0 | 0 | 108.4 | ||||
| 343 | S | 35.6 | Very low | 32.6 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | 178.7 | 118.9 | 139.6 | 27.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 344 | D | 34.6 | Very low | 33.8 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | 74.7 | 101.8 | 129.6 | -48.4 | -20.8 | 0 | 0 | 0 | 119.7 | |||||
| 345 | D | 32.6 | Very low | 34.3 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | 34.6 | 107.1 | 126.8 | -74.3 | -32.7 | 0 | 0 | 0 | 118.3 | |||||
| 346 | A | 34.2 | Very low | 35 | Very low | 88 Ų | 88 | 141.4 Ų | 141.4 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | 155.2 | 144.7 | 109.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 347 | K | 31.4 | Very low | 36.2 | Very low | 196 Ų | 196 | 143.6 Ų | 143.6 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | 92.3 | 28.2 | 156 | -57.4 | 179.9 | 179.8 | 172.6 | 0 | 121.4 | K349 | K347-K349 PolarHBondContact O-N 3.2Š| ||
| 348 | A | 33.5 | Very low | 37.1 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 90% | 0.901 | 76% | 0.756 | S | S | * | * | trans | -92.7 | 69.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 349 | K | 35.7 | Very low | 38 | Very low | 200 Ų | 200 | 147.3 Ų | 147.3 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | trans | -146.9 | 40.2 | 178.4 | -131 | 177.8 | -165 | 176.7 | 0 | 113.8 | K347 | K347-K349 PolarHBondContact O-N 3.2Š| ||
| 350 | I | 39.3 | Very low | 39 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 71% | 0.708 | 72% | 0.724 | S | S | * | * | trans | -154.5 | 105.4 | -177.9 | -58.5 | 177 | 0 | 0 | 0 | 105.3 | ||||
| 351 | F | 37.7 | Very low | 40 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 63% | 0.627 | 70% | 0.698 | S | S | * | * | cis | -148.7 | 138.4 | 47.4 | -97.1 | -93.7 | 0 | 0 | 0 | 110.9 | Y353 | F351-Y353 PolarHBondContact O-N 3.49Š| ||
| 352 | K | 41.3 | Very low | 40.7 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 82% | 0.817 | 68% | 0.677 | S | S | * | * | trans | -96.3 | 36.3 | -177.6 | -158.7 | -175.2 | -179.6 | -178.6 | 0 | 112.7 | ||||
| 353 | Y | 35.5 | Very low | 41.5 | Very low | 166 Ų | 166 | 127.3 Ų | 127.3 | 65% | 0.651 | 64% | 0.64 | S | S | * | * | trans | -146.5 | 115.9 | 177.2 | -69.8 | -73 | 0 | 0 | 0 | 113.3 | F351 F355 | F351-Y353 PolarHBondContact O-N 3.49Å; Y353-F355 VanDerWaalsContact C-N 3.3Å; Y353-F355 PolarHBondContact O-N 3.33Å | ||
| 354 | P | 49.9 | Very low | 42.3 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 68% | 0.675 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -71.3 | -14.6 | 178.7 | -19.1 | 31.5 | 0 | 0 | 0 | 115.6 | ||
| 355 | F | 43 | Very low | 43.1 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 79% | 0.789 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -79.3 | -34.8 | -166.2 | -148.4 | -98 | 0 | 0 | 0 | 113.4 | Y353 R357 K358 | Y353-F355 VanDerWaalsContact C-N 3.3Å; Y353-F355 PolarHBondContact O-N 3.33Å; F355-R357 PolarHBondContact O-N 2.94Å; F355-K358 PolarHBondContact O-N 2.86Å |
| 356 | E | 48.4 | Very low | 43.9 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 58% | 0.584 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.3 | -27.4 | -177.8 | -67.4 | 177.5 | 155.6 | 0 | 0 | 113.2 | F359 | E356-F359 PolarHBondContact O-N 3.38Å |
| 357 | R | 49.9 | Very low | 44.5 | Very low | 166 Ų | 166 | 125.2 Ų | 125.2 | 63% | 0.626 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.8 | -34.3 | 176.1 | -79.8 | -175.5 | 176.1 | -176.4 | -2.2 | 112.8 | F355 F361 | F355-R357 PolarHBondContact O-N 2.94Å; R357-F361 PolarHBondContact O-N 3.44Å |
| 358 | K | 50 | Low | 45.2 | Very low | 137 Ų | 137 | 117.8 Ų | 117.8 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.9 | -37.8 | 178.4 | -73.4 | -172.1 | 172.8 | -167.2 | 0 | 111.9 | F355 F361 C362 | F355-K358 PolarHBondContact O-N 2.86Å; K358-F361 PolarHBondContact O-N 3.41Å; K358-C362 WeakPolarHBondContact O-CB 3.48Å; K358-C362 PolarHBondContact O-N 3.47Å; K358-C362 VanDerWaalsContact O-N 3.09Å |
| 359 | F | 47 | Very low | 46.1 | Very low | 151 Ų | 151 | 119.6 Ų | 119.6 | 66% | 0.662 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.6 | -45 | -177.8 | -161.5 | -92.8 | 0 | 0 | 0 | 112.4 | E356 F361 C363 | E356-F359 PolarHBondContact O-N 3.38Å; F359-F361 PolarHBondContact O-N 3.15Å; F359-C363 WeakPolarHBondContact O-CB 3.46Å; F359-C363 PolarHBondContact O-N 3.46Å; F359-C363 PolarHBondContact O-SG 3.45Å |
| 360 | L | 50.3 | Low | 46.9 | Very low | 53 Ų | 53 | 120.6 Ų | 120.6 | 28% | 0.277 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.4 | -34.4 | 179 | -89.6 | 155.7 | 0 | 0 | 0 | 113.2 | R364 L372 | L360-R364 PolarHBondContact O-N 3.39Å; L360-L372 HydrophobicContact CD2-CD2 4.29Å |
| 361 | F | 49.4 | Very low | 47.5 | Very low | 43 Ų | 43 | 117.8 Ų | 117.8 | 19% | 0.189 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -72.8 | -44.3 | 178.4 | -164.7 | -84.4 | 0 | 0 | 0 | 111.8 | C323 R357 K358 F359 C363 R364 E365 L397 | C323-F361 HydrophobicContact CB-CD1 4.42Å; C323-F361 HydrophobicContact CB-CE1 4.01Å; C323-F361 HydrophobicContact CB-CE2 4.19Å; C323-F361 HydrophobicContact CB-CZ 3.87Å; C323-F361 WeakPolarHBondContact SG-CD1 3.04Å; C323-F361 WeakPolarHBondContact SG-CE1 3.45Å; R357-F361 PolarHBondContact O-N 3.44Å; K358-F361 PolarHBondContact O-N 3.41Å; F359-F361 PolarHBondContact O-N 3.15Å; F361-C363 VanDerWaalsContact C-N 3.31Å; F361-C363 PolarHBondContact O-N 2.88Å; F361-R364 PolarHBondContact O-N 3.16Å; F361-R364 VanDerWaalsContact O-N 3.14Å; F361-E365 HydrophobicContact CE1-CG 4.39Å; F361-E365 PolarHBondContact O-N 3.3Å; F361-L397 HydrophobicContact CE2-CD1 4.28Å; F361-L397 HydrophobicContact CE2-CD2 4.47Å |
| 362 | C | 46.2 | Very low | 48.2 | Very low | 68 Ų | 68 | 112.4 Ų | 112.4 | 46% | 0.459 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -36.7 | 176.6 | -153.9 | 0 | 0 | 0 | 0 | 111.8 | K358 R364 E365 L366 | K358-C362 WeakPolarHBondContact O-CB 3.48Å; K358-C362 PolarHBondContact O-N 3.47Å; K358-C362 VanDerWaalsContact O-N 3.09Å; C362-R364 VanDerWaalsContact C-N 3.29Å; C362-R364 PolarHBondContact O-N 3.42Å; C362-E365 PolarHBondContact O-N 2.69Å; C362-L366 WeakPolarHBondContact O-CB 3.35Å; C362-L366 PolarHBondContact O-N 2.83Å; C362-L366 VanDerWaalsContact SG-CD1 3.59Å |
| 363 | C | 44.9 | Very low | 48.8 | Very low | 18 Ų | 18 | 112.5 Ų | 112.5 | 12% | 0.122 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -63 | -30.6 | 173.9 | -73.6 | 0 | 0 | 0 | 0 | 113.6 | F359 F361 Y367 | F359-C363 WeakPolarHBondContact O-CB 3.46Å; F359-C363 PolarHBondContact O-N 3.46Å; F359-C363 PolarHBondContact O-SG 3.45Å; F361-C363 VanDerWaalsContact C-N 3.31Å; F361-C363 PolarHBondContact O-N 2.88Å; C363-Y367 WeakPolarHBondContact O-CB 3.43Å; C363-Y367 PolarHBondContact O-N 3.01Å |
| 364 | R | 53.1 | Low | 49.6 | Very low | 74 Ų | 74 | 109.2 Ų | 109.2 | 28% | 0.279 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77.8 | -33.1 | 179.7 | -164.6 | 176.8 | 179.7 | 164.8 | 5.4 | 112.3 | L360 F361 C362 L372 E394 | L360-R364 PolarHBondContact O-N 3.39Å; F361-R364 PolarHBondContact O-N 3.16Å; F361-R364 VanDerWaalsContact O-N 3.14Å; C362-R364 VanDerWaalsContact C-N 3.29Å; C362-R364 PolarHBondContact O-N 3.42Å; R364-L372 HydrophobicContact CB-CD1 4.28Å; R364-L372 HydrophobicContact CG-CD1 4.33Å; R364-E394 IonicContact CZ-OE1 3.65Å; R364-E394 IonicContact NH1-OE1 3.52Å; R364-E394 IonicContact NH2-OE1 2.86Å; R364-E394 PolarHBondContact NH2-OE1 3.14Å |
| 365 | E | 51.5 | Low | 49.9 | Very low | 109 Ų | 109 | 109 Ų | 109 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -82 | -32 | 177.2 | -78 | -154.9 | 139 | 0 | 0 | 113.6 | K320 F361 C362 | K320-E365 WeakPolarHBondContact CE-OE1 3.46Å; K320-E365 IonicContact NZ-OE1 3.58Å; K320-E365 PolarHBondContact NZ-OE1 2.91Å; K320-E365 IonicContact NZ-OE2 2.97Å; F361-E365 HydrophobicContact CE1-CG 4.39Å; F361-E365 PolarHBondContact O-N 3.3Å; C362-E365 PolarHBondContact O-N 2.69Å |
| 366 | L | 49.2 | Very low | 50.4 | Low | 121 Ų | 121 | 101.5 Ų | 101.5 | 63% | 0.634 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -91.8 | -27.7 | -176.6 | -72.9 | 167.5 | 0 | 0 | 0 | 114.9 | C362 | C362-L366 WeakPolarHBondContact O-CB 3.35Å; C362-L366 PolarHBondContact O-N 2.83Å; C362-L366 VanDerWaalsContact SG-CD1 3.59Å |
| 367 | Y | 46.1 | Very low | 50.8 | Low | 140 Ų | 140 | 105.1 Ų | 105.1 | 55% | 0.549 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -121.6 | 3.7 | -164.9 | -67.5 | -82.3 | 0 | 0 | 0 | 116.4 | C363 L371 | C363-Y367 WeakPolarHBondContact O-CB 3.43Å; C363-Y367 PolarHBondContact O-N 3.01Å; Y367-L371 HydrophobicContact CD1-CD2 3.88Å; Y367-L371 HydrophobicContact CG-CD2 4.24Å |
| 368 | G | 47.7 | Very low | 50.9 | Low | 40 Ų | 40 | 102.2 Ų | 102.2 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | 62.8 | 168.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R370 | G368-R370 PolarHBondContact O-N 3.38Å; G368-R370 VanDerWaalsContact O-N 3.07Å |
| 369 | Q | 52.1 | Low | 51.1 | Low | 148 Ų | 148 | 104.9 Ų | 104.9 | 69% | 0.692 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -14.6 | -175.1 | -68.1 | -174.5 | 5.5 | 0 | 0 | 114.5 | ||
| 370 | R | 52.7 | Low | 51.5 | Low | 221 Ų | 221 | 108.8 Ų | 108.8 | 83% | 0.834 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -76.5 | -40.1 | -175 | -72.8 | -177.8 | -177.8 | -170.1 | 2.7 | 112.3 | G368 R373 | G368-R370 PolarHBondContact O-N 3.38Å; G368-R370 VanDerWaalsContact O-N 3.07Å; R370-R373 PolarHBondContact O-N 2.87Å |
| 371 | L | 51.8 | Low | 51.5 | Low | 78 Ų | 78 | 112.9 Ų | 112.9 | 41% | 0.408 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -74.6 | -29.5 | -178.2 | -116.9 | 93.5 | 0 | 0 | 0 | 113.9 | Y367 R373 D374 I375 | Y367-L371 HydrophobicContact CD1-CD2 3.88Å; Y367-L371 HydrophobicContact CG-CD2 4.24Å; L371-R373 PolarHBondContact O-N 3.48Å; L371-D374 PolarHBondContact O-N 2.99Å; L371-I375 WeakPolarHBondContact O-CG1 3.42Å; L371-I375 PolarHBondContact O-N 3.16Å |
| 372 | L | 52.9 | Low | 51.9 | Low | 31 Ų | 31 | 116 Ų | 116 | 16% | 0.162 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -60.7 | -30 | 176.3 | -97.9 | 146 | 0 | 0 | 0 | 112.5 | L360 R364 C376 | L360-L372 HydrophobicContact CD2-CD2 4.29Å; R364-L372 HydrophobicContact CB-CD1 4.28Å; R364-L372 HydrophobicContact CG-CD1 4.33Å; L372-C376 WeakPolarHBondContact O-CB 3.38Å; L372-C376 PolarHBondContact O-N 3.35Å |
| 373 | R | 53.7 | Low | 52.3 | Low | 189 Ų | 189 | 116.5 Ų | 116.5 | 71% | 0.713 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.9 | -33.6 | 173.5 | -95.4 | -175.3 | -122.2 | -150.5 | -1.4 | 113 | R370 L371 | R370-R373 PolarHBondContact O-N 2.87Å; L371-R373 PolarHBondContact O-N 3.48Å |
| 374 | D | 52 | Low | 52.8 | Low | 98 Ų | 98 | 121.3 Ų | 121.3 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -80.3 | -35.5 | -178.7 | -69.2 | -34.2 | 0 | 0 | 0 | 112.1 | L371 C376 R377 | L371-D374 PolarHBondContact O-N 2.99Å; D374-C376 VanDerWaalsContact C-N 3.3Å; D374-C376 PolarHBondContact O-N 3.38Å; D374-R377 PolarHBondContact O-N 3.24Å |
| 375 | I | 55.8 | Low | 53 | Low | 98 Ų | 98 | 122.7 Ų | 122.7 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.1 | -36.4 | 171.8 | -64.1 | 168.3 | 0 | 0 | 0 | 110.8 | L371 R377 | L371-I375 WeakPolarHBondContact O-CG1 3.42Å; L371-I375 PolarHBondContact O-N 3.16Å; I375-R377 VanDerWaalsContact C-N 3.27Å; I375-R377 PolarHBondContact O-N 3.3Å |
| 376 | C | 53.9 | Low | 53.1 | Low | 23 Ų | 23 | 118.3 Ų | 118.3 | 16% | 0.155 | 55% | 0.546 | C | S | . | . | G | 310 helix | trans | -74.7 | -3.6 | 178.3 | -93.7 | 0 | 0 | 0 | 0 | 115 | L372 D374 C378 Q383 C386 | L372-C376 WeakPolarHBondContact O-CB 3.38Å; L372-C376 PolarHBondContact O-N 3.35Å; D374-C376 VanDerWaalsContact C-N 3.3Å; D374-C376 PolarHBondContact O-N 3.38Å; C376-C378 PolarHBondContact O-N 3.49Å; C376-Q383 HydrophobicContact CB-CG 4.1Å; C376-Q383 WeakPolarHBondContact O-CG 3.38Å; C376-Q383 PolarHBondContact O-NE2 2.9Å; C376-C386 VanDerWaalsContact SG-CB 3.57Å; C376-C386 VanDerWaalsContact SG-SG 3.63Å |
| 377 | R | 55.7 | Low | 53.6 | Low | 202 Ų | 202 | 118.6 Ų | 118.6 | 76% | 0.762 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -73 | -11.1 | 178.5 | -94.3 | 178.3 | 168.4 | -174.7 | -2.8 | 114.5 | D374 I375 | D374-R377 PolarHBondContact O-N 3.24Å; I375-R377 VanDerWaalsContact C-N 3.27Å; I375-R377 PolarHBondContact O-N 3.3Å |
| 378 | C | 52.6 | Low | 54.2 | Low | 105 Ų | 105 | 116 Ų | 116 | 71% | 0.709 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -90.6 | -4.7 | -164.2 | -123.1 | 0 | 0 | 0 | 0 | 118.1 | C376 | C376-C378 PolarHBondContact O-N 3.49Š|
| 379 | R | 54.5 | Low | 54.6 | Low | 193 Ų | 193 | 115.6 Ų | 115.6 | 73% | 0.728 | 53% | 0.532 | S | S | * | . | trans | -169.6 | 127.6 | 170.8 | -106.8 | 159.7 | -164.8 | -158.1 | 4.9 | 109.7 | L381 Q382 Q383 | R379-L381 PolarHBondContact O-N 3.28Å; R379-Q382 HydrophobicContact CB-CB 4.29Å; R379-Q382 WeakPolarHBondContact O-CB 3.25Å; R379-Q382 PolarHBondContact O-N 2.82Å; R379-Q383 PolarHBondContact O-N 2.78Å | ||
| 380 | R | 54.9 | Low | 55 | Low | 232 Ų | 232 | 110.7 Ų | 110.7 | 88% | 0.875 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -53.8 | -28.5 | -179.4 | -82.5 | 180 | 178.1 | 174 | -0.8 | 114.2 | ||
| 381 | L | 51.8 | Low | 55.3 | Low | 140 Ų | 140 | 106.3 Ų | 106.3 | 73% | 0.733 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -75.6 | -30.4 | 173.5 | -87.1 | 100.8 | 0 | 0 | 0 | 113.9 | R379 Q383 L385 | R379-L381 PolarHBondContact O-N 3.28Å; L381-Q383 VanDerWaalsContact C-N 3.35Å; L381-L385 WeakPolarHBondContact O-CB 3.49Å; L381-L385 PolarHBondContact O-N 2.99Å; L381-L385 VanDerWaalsContact O-N 3.16Å |
| 382 | Q | 56 | Low | 55.5 | Low | 108 Ų | 108 | 108.3 Ų | 108.3 | 51% | 0.505 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.3 | -31.8 | 175.7 | -100.1 | 176.1 | -38 | 0 | 0 | 111.8 | R379 C386 | R379-Q382 HydrophobicContact CB-CB 4.29Å; R379-Q382 WeakPolarHBondContact O-CB 3.25Å; R379-Q382 PolarHBondContact O-N 2.82Å; Q382-C386 WeakPolarHBondContact O-CB 3.41Å; Q382-C386 PolarHBondContact O-N 2.86Å |
| 383 | Q | 55.3 | Low | 55.7 | Low | 79 Ų | 79 | 108.9 Ų | 108.9 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 175.5 | -71.7 | -174.3 | -17.3 | 0 | 0 | 112.2 | C376 R379 L381 C386 Q387 | C376-Q383 HydrophobicContact CB-CG 4.1Å; C376-Q383 WeakPolarHBondContact O-CG 3.38Å; C376-Q383 PolarHBondContact O-NE2 2.9Å; R379-Q383 PolarHBondContact O-N 2.78Å; L381-Q383 VanDerWaalsContact C-N 3.35Å; Q383-C386 PolarHBondContact O-N 3.27Å; Q383-Q387 WeakPolarHBondContact O-CB 3.48Å; Q383-Q387 WeakPolarHBondContact O-CG 3.39Å; Q383-Q387 PolarHBondContact O-N 3.08Å |
| 384 | H | 56 | Low | 55.9 | Low | 119 Ų | 119 | 103.6 Ų | 103.6 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.7 | -39.6 | -177.2 | -141.7 | -65.1 | 0 | 0 | 0 | 111.8 | Q387 L388 | H384-Q387 PolarHBondContact O-N 3.33Å; H384-L388 WeakPolarHBondContact O-CB 3.47Å; H384-L388 WeakPolarHBondContact O-CD1 3.39Å; H384-L388 VanDerWaalsContact O-CG 3.22Å; H384-L388 WeakPolarHBondContact O-CG 3.43Å; H384-L388 PolarHBondContact O-N 2.97Å |
| 385 | L | 57.3 | Low | 56.1 | Low | 102 Ų | 102 | 105.3 Ų | 105.3 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 172.7 | -81.8 | 158.4 | 0 | 0 | 0 | 111.9 | L381 A389 | L381-L385 WeakPolarHBondContact O-CB 3.49Å; L381-L385 PolarHBondContact O-N 2.99Å; L381-L385 VanDerWaalsContact O-N 3.16Å; L385-A389 WeakPolarHBondContact O-CB 3.47Å; L385-A389 PolarHBondContact O-N 3.02Å |
| 386 | C | 53.6 | Low | 56.2 | Low | 17 Ų | 17 | 106.4 Ų | 106.4 | 12% | 0.115 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -70.8 | -38.1 | 176.6 | -165.2 | 0 | 0 | 0 | 0 | 111.7 | C376 Q382 Q383 L390 | C376-C386 VanDerWaalsContact SG-CB 3.57Å; C376-C386 VanDerWaalsContact SG-SG 3.63Å; Q382-C386 WeakPolarHBondContact O-CB 3.41Å; Q382-C386 PolarHBondContact O-N 2.86Å; Q383-C386 PolarHBondContact O-N 3.27Å; C386-L390 VanDerWaalsContact O-CB 3.22Å; C386-L390 WeakPolarHBondContact O-CB 3.35Å; C386-L390 WeakPolarHBondContact O-CD1 3.37Å; C386-L390 WeakPolarHBondContact O-CG 3.33Å; C386-L390 PolarHBondContact O-N 3.02Å |
| 387 | Q | 58.4 | Low | 56.6 | Low | 127 Ų | 127 | 107 Ų | 107 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 173.9 | -82.4 | 174.4 | -17 | 0 | 0 | 112.2 | Q383 H384 L390 K391 | Q383-Q387 WeakPolarHBondContact O-CB 3.48Å; Q383-Q387 WeakPolarHBondContact O-CG 3.39Å; Q383-Q387 PolarHBondContact O-N 3.08Å; H384-Q387 PolarHBondContact O-N 3.33Å; Q387-L390 PolarHBondContact O-N 3.13Å; Q387-K391 VanDerWaalsContact O-CB 3.29Å; Q387-K391 WeakPolarHBondContact O-CB 3.46Å; Q387-K391 PolarHBondContact O-N 2.85Å |
| 388 | L | 60 | Low | 57.4 | Low | 86 Ų | 86 | 101.5 Ų | 101.5 | 45% | 0.45 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 174.9 | -72.8 | 167.1 | 0 | 0 | 0 | 111.1 | H384 L390 K391 E392 | H384-L388 WeakPolarHBondContact O-CB 3.47Å; H384-L388 WeakPolarHBondContact O-CD1 3.39Å; H384-L388 VanDerWaalsContact O-CG 3.22Å; H384-L388 WeakPolarHBondContact O-CG 3.43Å; H384-L388 PolarHBondContact O-N 2.97Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 3.21Å; L388-K391 PolarHBondContact O-N 3.3Å; L388-E392 WeakPolarHBondContact O-CG 3.34Å; L388-E392 PolarHBondContact O-N 3.47Å |
| 389 | A | 56.6 | Low | 58.7 | Low | 32 Ų | 32 | 101 Ų | 101 | 26% | 0.264 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L385 L393 | L385-A389 WeakPolarHBondContact O-CB 3.47Å; L385-A389 PolarHBondContact O-N 3.02Å; A389-L393 VanDerWaalsContact O-CB 3.26Å; A389-L393 WeakPolarHBondContact O-CB 3.42Å; A389-L393 WeakPolarHBondContact O-CD1 3.15Å; A389-L393 WeakPolarHBondContact O-CG 3.27Å; A389-L393 PolarHBondContact O-N 3.47Å |
| 390 | L | 59.6 | Low | 60.2 | Low | 44 Ų | 44 | 96.8 Ų | 96.8 | 23% | 0.23 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 175.1 | -75.2 | 169.9 | 0 | 0 | 0 | 111.8 | C386 Q387 L388 L393 E394 | C386-L390 VanDerWaalsContact O-CB 3.22Å; C386-L390 WeakPolarHBondContact O-CB 3.35Å; C386-L390 WeakPolarHBondContact O-CD1 3.37Å; C386-L390 WeakPolarHBondContact O-CG 3.33Å; C386-L390 PolarHBondContact O-N 3.02Å; Q387-L390 PolarHBondContact O-N 3.13Å; L388-L390 VanDerWaalsContact C-N 3.35Å; L388-L390 PolarHBondContact O-N 3.21Å; L390-L393 PolarHBondContact O-N 3.1Å; L390-E394 WeakPolarHBondContact O-CB 3.43Å; L390-E394 WeakPolarHBondContact O-CG 3.38Å; L390-E394 PolarHBondContact O-N 3.02Å |
| 391 | K | 58.1 | Low | 62 | Low | 130 Ų | 130 | 85.8 Ų | 85.8 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -66.9 | -43.5 | 177.5 | -166.5 | 177 | -180 | -174.5 | 0 | 111.5 | Q387 L388 E394 E395 | Q387-K391 VanDerWaalsContact O-CB 3.29Å; Q387-K391 WeakPolarHBondContact O-CB 3.46Å; Q387-K391 PolarHBondContact O-N 2.85Å; L388-K391 PolarHBondContact O-N 3.3Å; K391-E394 PolarHBondContact O-N 3.46Å; K391-E395 WeakPolarHBondContact O-CG 3.46Å; K391-E395 PolarHBondContact O-N 3.09Å |
| 392 | E | 57.1 | Low | 63.9 | Low | 119 Ų | 119 | 80.5 Ų | 80.5 | 56% | 0.556 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.3 | -37.8 | 173.4 | -72 | 179.3 | 178.9 | 0 | 0 | 111.8 | L388 E395 L396 | L388-E392 WeakPolarHBondContact O-CG 3.34Å; L388-E392 PolarHBondContact O-N 3.47Å; E392-E395 PolarHBondContact O-N 2.94Å; E392-L396 WeakPolarHBondContact O-CD1 3.44Å; E392-L396 PolarHBondContact O-N 3.27Å |
| 393 | L | 57.1 | Low | 65.6 | Low | 43 Ų | 43 | 75.3 Ų | 75.3 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.1 | -35 | 173.9 | -91.2 | 155.6 | 0 | 0 | 0 | 112.9 | A389 L390 L396 L397 | A389-L393 VanDerWaalsContact O-CB 3.26Å; A389-L393 WeakPolarHBondContact O-CB 3.42Å; A389-L393 WeakPolarHBondContact O-CD1 3.15Å; A389-L393 WeakPolarHBondContact O-CG 3.27Å; A389-L393 PolarHBondContact O-N 3.47Å; L390-L393 PolarHBondContact O-N 3.1Å; L393-L396 PolarHBondContact O-N 3.04Å; L393-L397 WeakPolarHBondContact O-CD1 3.25Å; L393-L397 WeakPolarHBondContact O-CG 3.45Å; L393-L397 PolarHBondContact O-N 2.63Å |
| 394 | E | 57.1 | Low | 67.3 | Low | 78 Ų | 78 | 72.3 Ų | 72.3 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 175.5 | -79.7 | 178.9 | 172.7 | 0 | 0 | 111.6 | R364 L390 K391 L396 L397 I398 | R364-E394 IonicContact CZ-OE1 3.65Å; R364-E394 IonicContact NH1-OE1 3.52Å; R364-E394 IonicContact NH2-OE1 2.86Å; R364-E394 PolarHBondContact NH2-OE1 3.14Å; L390-E394 WeakPolarHBondContact O-CB 3.43Å; L390-E394 WeakPolarHBondContact O-CG 3.38Å; L390-E394 PolarHBondContact O-N 3.02Å; K391-E394 PolarHBondContact O-N 3.46Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 3.45Å; E394-L397 PolarHBondContact O-N 2.85Å; E394-I398 WeakPolarHBondContact O-CD1 3.31Å; E394-I398 VanDerWaalsContact O-CG1 3.25Å; E394-I398 WeakPolarHBondContact O-CG1 3.47Å; E394-I398 PolarHBondContact O-N 2.86Å |
| 395 | E | 56.5 | Low | 68.9 | Low | 135 Ų | 135 | 71.6 Ų | 71.6 | 63% | 0.631 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.4 | -30 | 173.8 | -73.5 | 174.4 | -171.4 | 0 | 0 | 112.7 | K391 E392 | K391-E395 WeakPolarHBondContact O-CG 3.46Å; K391-E395 PolarHBondContact O-N 3.09Å; E392-E395 PolarHBondContact O-N 2.94Å |
| 396 | L | 58.8 | Low | 70.4 | Confident | 121 Ų | 121 | 69.1 Ų | 69.1 | 63% | 0.634 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -77.3 | -21.5 | 174.9 | -95 | 130.7 | 0 | 0 | 0 | 114.4 | E392 L393 E394 | E392-L396 WeakPolarHBondContact O-CD1 3.44Å; E392-L396 PolarHBondContact O-N 3.27Å; L393-L396 PolarHBondContact O-N 3.04Å; E394-L396 VanDerWaalsContact C-N 3.27Å; E394-L396 PolarHBondContact O-N 3.45Å |
| 397 | L | 61.7 | Low | 72 | Confident | 35 Ų | 35 | 71.8 Ų | 71.8 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -100.9 | -21.7 | -175.9 | -72.2 | 167.7 | 0 | 0 | 0 | 113.5 | F361 L393 E394 K399 M409 | F361-L397 HydrophobicContact CE2-CD1 4.28Å; F361-L397 HydrophobicContact CE2-CD2 4.47Å; L393-L397 WeakPolarHBondContact O-CD1 3.25Å; L393-L397 WeakPolarHBondContact O-CG 3.45Å; L393-L397 PolarHBondContact O-N 2.63Å; E394-L397 PolarHBondContact O-N 2.85Å; L397-K399 PolarHBondContact O-N 3.41Å; L397-K399 VanDerWaalsContact O-N 3.17Å; L397-M409 HydrophobicContact CB-CE 4Å; L397-M409 HydrophobicContact CD1-CE 3.84Å |
| 398 | I | 73.1 | Confident | 73.2 | Confident | 87 Ų | 87 | 72.1 Ų | 72.1 | 45% | 0.446 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 104.3 | 174.8 | -65.2 | 164.7 | 0 | 0 | 0 | 108.2 | E394 P407 R408 | E394-I398 WeakPolarHBondContact O-CD1 3.31Å; E394-I398 VanDerWaalsContact O-CG1 3.25Å; E394-I398 WeakPolarHBondContact O-CG1 3.47Å; E394-I398 PolarHBondContact O-N 2.86Å; I398-P407 HydrophobicContact CG2-CB 3.69Å; I398-R408 WeakPolarHBondContact CA-O 3.14Å |
| 399 | K | 79.1 | Confident | 74.3 | Confident | 94 Ų | 94 | 71.5 Ų | 71.5 | 41% | 0.409 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 158.7 | 174.1 | -60.5 | -175.2 | -177.5 | 178.8 | 0 | 109.1 | L397 C401 R408 C410 L424 | L397-K399 PolarHBondContact O-N 3.41Å; L397-K399 VanDerWaalsContact O-N 3.17Å; K399-C401 PolarHBondContact O-N 3.26Å; K399-R408 PolarHBondContact N-O 2.85Å; K399-R408 PolarHBondContact O-N 3.37Å; K399-C410 HydrophobicContact CB-CB 4.22Å; K399-L424 HydrophobicContact CB-CD1 4.32Å; K399-L424 HydrophobicContact CD-CD1 3.51Å |
| 400 | I | 87 | Confident | 75.7 | Confident | 105 Ų | 105 | 70.2 Ų | 70.2 | 54% | 0.538 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 122.6 | 173.3 | -57.8 | 175.1 | 0 | 0 | 0 | 107.6 | S402 | I400-S402 PolarHBondContact O-N 3.2Å |
| 401 | C | 91.7 | Very high | 76.9 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -72.5 | 123 | 175.3 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | K399 L403 S404 Q405 V406 S426 C429 | K399-C401 PolarHBondContact O-N 3.26Å; C401-L403 PolarHBondContact O-N 3.14Å; C401-L403 VanDerWaalsContact O-N 3.11Å; C401-S404 WeakPolarHBondContact CB-OG 3.4Å; C401-S404 PolarHBondContact O-N 3.49Å; C401-Q405 WeakPolarHBondContact O-CA 3.36Å; C401-Q405 PolarHBondContact O-N 2.99Å; C401-V406 PolarHBondContact N-O 2.98Å; C401-V406 VanDerWaalsContact N-O 3.14Å; C401-S426 PolarHBondContact SG-N 3.29Å; C401-C429 VanDerWaalsContact SG-SG 3.67Å | ||
| 402 | S | 92.4 | Very high | 78.4 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.9 | -175 | -54.5 | 0 | 0 | 0 | 0 | 114.1 | N300 I400 Q405 L424 | N300-S402 WeakPolarHBondContact CB-O 3.38Å; N300-S402 PolarHBondContact ND2-O 3.37Å; I400-S402 PolarHBondContact O-N 3.2Å; S402-Q405 PolarHBondContact O-NE2 3.03Å; S402-L424 PolarHBondContact N-O 3.35Å; S402-L424 PolarHBondContact OG-N 3.39Å; S402-L424 PolarHBondContact OG-O 2.89Å |
| 403 | L | 92.3 | Very high | 80.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -55.8 | 177.3 | -72.5 | 167.4 | 0 | 0 | 0 | 113 | F298 S299 N300 L303 V307 C401 M414 V425 C429 I433 | F298-L403 HydrophobicContact CB-CB 4.27Å; F298-L403 HydrophobicContact CD1-CB 4.14Å; F298-L403 HydrophobicContact CD2-CB 4.43Å; F298-L403 HydrophobicContact CD2-CD2 3.91Å; F298-L403 HydrophobicContact CE2-CD1 4.32Å; F298-L403 HydrophobicContact CE2-CD2 4.33Å; F298-L403 HydrophobicContact CG-CB 4.04Å; F298-L403 HydrophobicContact CG-CD2 4.29Å; F298-L403 HydrophobicContact CZ-CD1 4.39Å; S299-L403 PolarHBondContact N-O 3.3Å; N300-L403 PolarHBondContact N-O 2.95Å; L303-L403 HydrophobicContact CB-CD2 4.32Å; L303-L403 HydrophobicContact CD2-CD2 3.73Å; L303-L403 HydrophobicContact CD2-CG 4.11Å; L303-L403 HydrophobicContact CG-CD2 3.74Å; V307-L403 HydrophobicContact CG2-CD2 4.09Å; C401-L403 PolarHBondContact O-N 3.14Å; C401-L403 VanDerWaalsContact O-N 3.11Å; L403-M414 HydrophobicContact CD1-CE 4.22Å; L403-M414 HydrophobicContact CD1-SD 4.3Å; L403-M414 HydrophobicContact CD2-CE 4.42Å; L403-M414 HydrophobicContact CG-CE 4.43Å; L403-V425 HydrophobicContact CD1-CG1 3.98Å; L403-V425 HydrophobicContact CD1-CG2 4.09Å; L403-C429 HydrophobicContact CB-CB 4.38Å; L403-C429 HydrophobicContact CD1-CB 3.93Å; L403-I433 HydrophobicContact CD1-CD1 3.58Å |
| 404 | S | 91 | Very high | 81.8 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -15 | -176.5 | 69.7 | 0 | 0 | 0 | 0 | 114 | S299 C401 V406 | S299-S404 VanDerWaalsContact CB-O 3.28Å; S299-S404 WeakPolarHBondContact CB-O 3.33Å; S299-S404 PolarHBondContact OG-O 3.22Å; C401-S404 WeakPolarHBondContact CB-OG 3.4Å; C401-S404 PolarHBondContact O-N 3.49Å; S404-V406 WeakPolarHBondContact O-CG2 3.12Å; S404-V406 PolarHBondContact O-N 3.45Å |
| 405 | Q | 89.3 | Confident | 83.5 | Confident | 104 Ų | 104 | 59.8 Ų | 59.8 | 49% | 0.486 | 29% | 0.293 | S | S | . | . | trans | 55.3 | 33.5 | -175 | -60.1 | -68.5 | 4.2 | 0 | 0 | 113.5 | N300 C401 S402 | N300-Q405 HydrophobicContact CB-CG 4.27Å; N300-Q405 PolarHBondContact ND2-NE2 3.2Å; C401-Q405 WeakPolarHBondContact O-CA 3.36Å; C401-Q405 PolarHBondContact O-N 2.99Å; S402-Q405 PolarHBondContact O-NE2 3.03Å | ||
| 406 | V | 88.7 | Confident | 85 | Confident | 49 Ų | 49 | 53.4 Ų | 53.4 | 30% | 0.297 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -127.4 | 139.9 | -178.1 | 174.2 | 0 | 0 | 0 | 0 | 109.1 | C401 S404 R408 | C401-V406 PolarHBondContact N-O 2.98Å; C401-V406 VanDerWaalsContact N-O 3.14Å; S404-V406 WeakPolarHBondContact O-CG2 3.12Å; S404-V406 PolarHBondContact O-N 3.45Å; V406-R408 HydrophobicContact CG1-CG 4.32Å; V406-R408 VanDerWaalsContact CG1-CZ 3.46Å; V406-R408 VanDerWaalsContact CG1-NH1 3.27Å; V406-R408 PolarHBondContact O-N 3.25Å |
| 407 | P | 86.1 | Confident | 85.9 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 120 | 173.4 | 24.7 | -34.1 | 0 | 0 | 0 | 110.9 | I398 | I398-P407 HydrophobicContact CG2-CB 3.69Å |
| 408 | R | 84.3 | Confident | 86.3 | Confident | 134 Ų | 134 | 55.2 Ų | 55.2 | 51% | 0.506 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 165.4 | -178.2 | -68.2 | -65.1 | -176.1 | -110 | 7.1 | 109.6 | I398 K399 V406 C410 | I398-R408 WeakPolarHBondContact CA-O 3.14Å; K399-R408 PolarHBondContact N-O 2.85Å; K399-R408 PolarHBondContact O-N 3.37Å; V406-R408 HydrophobicContact CG1-CG 4.32Å; V406-R408 VanDerWaalsContact CG1-CZ 3.46Å; V406-R408 VanDerWaalsContact CG1-NH1 3.27Å; V406-R408 PolarHBondContact O-N 3.25Å; R408-C410 PolarHBondContact O-N 3.06Å |
| 409 | M | 82 | Confident | 86.4 | Confident | 73 Ų | 73 | 52 Ų | 52 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 111.6 | 168.1 | -59.2 | -173.1 | 80.6 | 0 | 0 | 109.2 | L397 | L397-M409 HydrophobicContact CB-CE 4Å; L397-M409 HydrophobicContact CD1-CE 3.84Å |
| 410 | C | 85.9 | Confident | 86.3 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.034 | 28% | 0.278 | C | S | . | . | trans | -106.4 | 88.5 | -177.7 | -67.2 | 0 | 0 | 0 | 0 | 110.1 | K399 R408 Y412 L424 V425 | K399-C410 HydrophobicContact CB-CB 4.22Å; R408-C410 PolarHBondContact O-N 3.06Å; C410-Y412 VanDerWaalsContact C-N 3.33Å; C410-L424 HydrophobicContact CB-CB 4.26Å; C410-V425 WeakPolarHBondContact CA-O 3.45Å | ||
| 411 | N | 86.1 | Confident | 86.3 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 26% | 0.257 | 27% | 0.274 | S | S | . | . | trans | -94.5 | 10.2 | 177.9 | -60.1 | -9.4 | 0 | 0 | 0 | 112.5 | L321 | L321-N411 PolarHBondContact N-O 3.17Š| ||
| 412 | Y | 90.2 | Very high | 86.2 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 12% | 0.122 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 148.2 | -177.8 | -59.3 | -85.8 | 0 | 0 | 0 | 110.3 | E319 K320 C410 V425 R430 | E319-Y412 CarbonylContact O-C 3.54Å; E319-Y412 VanDerWaalsContact O-CA 3.32Å; E319-Y412 WeakPolarHBondContact O-CA 3.36Å; K320-Y412 HydrophobicContact CB-CD1 4.18Å; K320-Y412 HydrophobicContact CB-CE1 4.05Å; K320-Y412 HydrophobicContact CG-CD1 4.39Å; K320-Y412 HydrophobicContact CG-CE1 4.04Å; C410-Y412 VanDerWaalsContact C-N 3.33Å; Y412-V425 PolarHBondContact N-O 3.3Å; Y412-V425 PolarHBondContact O-N 3.48Å; Y412-R430 HydrophobicContact CD1-CG 3.92Å; Y412-R430 HydrophobicContact CD2-CB 4.02Å; Y412-R430 HydrophobicContact CD2-CG 4.16Å; Y412-R430 HydrophobicContact CE1-CG 4.1Å; Y412-R430 HydrophobicContact CE2-CB 4.39Å; Y412-R430 HydrophobicContact CE2-CG 4.35Å; Y412-R430 HydrophobicContact CG-CB 4.15Å; Y412-R430 HydrophobicContact CG-CG 3.95Å; Y412-R430 VanDerWaalsContact CZ-NE 3.34Å; Y412-R430 PolarHBondContact OH-NE 3.01Å; Y412-R430 PolarHBondContact OH-NH2 3.45Å |
| 413 | R | 91.1 | Very high | 86.1 | Confident | 67 Ų | 67 | 58 Ų | 58 | 25% | 0.253 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 146.1 | 167.4 | 63.3 | 173.7 | -174.6 | -166.3 | -0.8 | 110 | L318 E319 L321 W422 Y423 | L318-R413 WeakPolarHBondContact CA-O 3.35Å; E319-R413 HydrophobicContact CB-CG 3.96Å; E319-R413 PolarHBondContact N-O 2.96Å; E319-R413 PolarHBondContact O-N 3.4Å; E319-R413 IonicContact OE2-CZ 2.65Å; E319-R413 IonicContact OE2-NE 3.93Å; E319-R413 PolarHBondContact OE2-NE 2.97Å; E319-R413 IonicContact OE2-NH2 2.8Å; E319-R413 PolarHBondContact OE2-NH2 3.24Å; L321-R413 HydrophobicContact CD2-CB 3.98Å; L321-R413 HydrophobicContact CD2-CG 3.66Å; L321-R413 HydrophobicContact CG-CB 4.34Å; L321-R413 HydrophobicContact CG-CG 4.31Å; R413-W422 HydrophobicContact CB-CB 4.39Å; R413-W422 HydrophobicContact CB-CD2 4.4Å; R413-W422 HydrophobicContact CB-CE3 3.74Å; R413-W422 HydrophobicContact CB-CZ3 4.39Å; R413-W422 VanDerWaalsContact CD-CD2 3.45Å; R413-W422 HydrophobicContact CG-CD2 4.04Å; R413-W422 HydrophobicContact CG-CE3 3.38Å; R413-W422 HydrophobicContact CG-CZ3 3.67Å; R413-Y423 CarbonylContact C-O 3.57Å; R413-Y423 VanDerWaalsContact CA-O 3.26Å; R413-Y423 WeakPolarHBondContact CA-O 3.45Å |
| 414 | M | 93.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 141.1 | -177.5 | 178.6 | -170.1 | 73.9 | 0 | 0 | 110.1 | L303 V307 I316 L317 L318 L403 T416 Y423 V425 I433 | L303-M414 HydrophobicContact CD1-CE 4.32Å; L303-M414 HydrophobicContact CD2-CE 4.39Å; L303-M414 HydrophobicContact CG-CE 4.41Å; V307-M414 HydrophobicContact CG2-CE 3.4Å; V307-M414 VanDerWaalsContact CG2-CE 3.4Å; V307-M414 HydrophobicContact CG2-SD 3.67Å; I316-M414 HydrophobicContact CD1-CG 4.24Å; I316-M414 HydrophobicContact CD1-SD 3.87Å; I316-M414 HydrophobicContact CG1-CG 4.1Å; I316-M414 HydrophobicContact CG1-SD 4.36Å; L317-M414 CarbonylContact O-C 3.58Å; L317-M414 WeakPolarHBondContact O-CA 3.33Å; L318-M414 HydrophobicContact CD1-CG 4.3Å; L318-M414 HydrophobicContact CG-CB 4.35Å; L318-M414 HydrophobicContact CG-CG 4.19Å; L403-M414 HydrophobicContact CD1-CE 4.22Å; L403-M414 HydrophobicContact CD1-SD 4.3Å; L403-M414 HydrophobicContact CD2-CE 4.42Å; L403-M414 HydrophobicContact CG-CE 4.43Å; M414-T416 HydrophobicContact CE-CG2 4.32Å; M414-Y423 HydrophobicContact CE-CD2 4.37Å; M414-Y423 PolarHBondContact N-O 2.81Å; M414-Y423 PolarHBondContact O-N 3Å; M414-V425 HydrophobicContact CB-CG2 3.65Å; M414-V425 HydrophobicContact CE-CG2 4.38Å; M414-V425 HydrophobicContact SD-CG2 4.36Å; M414-I433 HydrophobicContact SD-CD1 3.69Å |
| 415 | K | 92.4 | Very high | 86.1 | Confident | 48 Ų | 48 | 59.6 Ų | 59.6 | 21% | 0.209 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 135.4 | 173 | -177.7 | 173.4 | 174.3 | 164 | 0 | 109.6 | L317 S419 D420 W422 | L317-K415 HydrophobicContact CB-CB 4.27Å; L317-K415 PolarHBondContact N-O 3.48Å; L317-K415 PolarHBondContact O-N 2.91Å; K415-S419 WeakPolarHBondContact CE-O 3.31Å; K415-S419 WeakPolarHBondContact CG-O 3.26Å; K415-D420 WeakPolarHBondContact CE-OD1 3.46Å; K415-D420 IonicContact NZ-OD1 3.26Å; K415-D420 PolarHBondContact NZ-OD1 3.14Å; K415-W422 HydrophobicContact CB-CD2 4.32Å; K415-W422 HydrophobicContact CB-CE3 3.88Å; K415-W422 HydrophobicContact CB-CH2 4.24Å; K415-W422 HydrophobicContact CB-CZ3 3.85Å; K415-W422 HydrophobicContact CD-CZ2 4.47Å |
| 416 | T | 89.1 | Confident | 86.2 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | trans | -100.9 | 153.9 | 173.9 | 50 | 0 | 0 | 0 | 0 | 110 | L303 K306 V307 M414 N418 S419 | L303-T416 HydrophobicContact CD1-CG2 4.49Å; K306-T416 HydrophobicContact CB-CG2 4.39Å; V307-T416 HydrophobicContact CG2-CG2 4.13Å; M414-T416 HydrophobicContact CE-CG2 4.32Å; T416-N418 PolarHBondContact O-N 2.84Å; T416-S419 PolarHBondContact O-N 2.89Å; T416-S419 PolarHBondContact OG1-OG 2.73Å; T416-S419 VanDerWaalsContact OG1-OG 3.04Å | ||
| 417 | S | 77.9 | Confident | 86.2 | Confident | 58 Ų | 58 | 54.1 Ų | 54.1 | 41% | 0.406 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -32.5 | -175.2 | 49.5 | 0 | 0 | 0 | 0 | 115.5 | S310 T315 | S310-S417 PolarHBondContact OG-N 2.76Å; S310-S417 PolarHBondContact OG-OG 2.73Å; T315-S417 WeakPolarHBondContact OG1-CB 3.16Å |
| 418 | N | 70.2 | Confident | 86.4 | Confident | 136 Ų | 136 | 54.5 Ų | 54.5 | 73% | 0.727 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 10.5 | -167.2 | -61 | 4.8 | 0 | 0 | 0 | 113.1 | T416 | T416-N418 PolarHBondContact O-N 2.84Š|
| 419 | S | 73.8 | Confident | 86.8 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | trans | -144.9 | 134.5 | 179.2 | 62.6 | 0 | 0 | 0 | 0 | 111.2 | K415 T416 D421 | K415-S419 WeakPolarHBondContact CE-O 3.31Å; K415-S419 WeakPolarHBondContact CG-O 3.26Å; T416-S419 PolarHBondContact O-N 2.89Å; T416-S419 PolarHBondContact OG1-OG 2.73Å; T416-S419 VanDerWaalsContact OG1-OG 3.04Å; S419-D421 PolarHBondContact O-N 3.13Å | ||
| 420 | D | 77.9 | Confident | 87.4 | Confident | 135 Ų | 135 | 48.6 Ų | 48.6 | 72% | 0.722 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -73.7 | -9.3 | 169.5 | -78.9 | -35 | 0 | 0 | 0 | 113.6 | K415 | K415-D420 WeakPolarHBondContact CE-OD1 3.46Å; K415-D420 IonicContact NZ-OD1 3.26Å; K415-D420 PolarHBondContact NZ-OD1 3.14Å |
| 421 | D | 86.1 | Confident | 87.7 | Confident | 82 Ų | 82 | 49.8 Ų | 49.8 | 44% | 0.439 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -73.2 | 138.6 | -179.6 | -59 | -42.4 | 0 | 0 | 0 | 113.4 | S419 | S419-D421 PolarHBondContact O-N 3.13Š|
| 422 | W | 89.9 | Confident | 88.1 | Confident | 90 Ų | 90 | 48.5 Ų | 48.5 | 34% | 0.341 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -92.2 | 125.1 | 172.1 | -71.2 | 99.3 | 0 | 0 | 0 | 111 | E319 R413 K415 | E319-W422 HydrophobicContact CB-CH2 4.47Å; E319-W422 HydrophobicContact CB-CZ3 4.36Å; E319-W422 HydrophobicContact CG-CH2 3.88Å; E319-W422 HydrophobicContact CG-CZ3 4.15Å; E319-W422 VanDerWaalsContact OE2-CH2 3.24Å; E319-W422 WeakPolarHBondContact OE2-CH2 3.48Å; R413-W422 HydrophobicContact CB-CB 4.39Å; R413-W422 HydrophobicContact CB-CD2 4.4Å; R413-W422 HydrophobicContact CB-CE3 3.74Å; R413-W422 HydrophobicContact CB-CZ3 4.39Å; R413-W422 VanDerWaalsContact CD-CD2 3.45Å; R413-W422 HydrophobicContact CG-CD2 4.04Å; R413-W422 HydrophobicContact CG-CE3 3.38Å; R413-W422 HydrophobicContact CG-CZ3 3.67Å; K415-W422 HydrophobicContact CB-CD2 4.32Å; K415-W422 HydrophobicContact CB-CE3 3.88Å; K415-W422 HydrophobicContact CB-CH2 4.24Å; K415-W422 HydrophobicContact CB-CZ3 3.85Å; K415-W422 HydrophobicContact CD-CZ2 4.47Å |
| 423 | Y | 91.1 | Very high | 88.3 | Confident | 48 Ų | 48 | 47 Ų | 47 | 19% | 0.188 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 134.3 | 174.5 | -58.5 | -81.3 | 0 | 0 | 0 | 110.5 | L303 R413 M414 | L303-Y423 HydrophobicContact CD1-CD1 4.31Å; L303-Y423 HydrophobicContact CD1-CD2 4.1Å; L303-Y423 HydrophobicContact CD1-CE1 4.15Å; L303-Y423 HydrophobicContact CD1-CE2 3.95Å; L303-Y423 HydrophobicContact CD1-CG 4.28Å; L303-Y423 HydrophobicContact CD2-CD1 3.96Å; L303-Y423 HydrophobicContact CD2-CE1 4.41Å; L303-Y423 HydrophobicContact CD2-CG 4.11Å; R413-Y423 CarbonylContact C-O 3.57Å; R413-Y423 VanDerWaalsContact CA-O 3.26Å; R413-Y423 WeakPolarHBondContact CA-O 3.45Å; M414-Y423 HydrophobicContact CE-CD2 4.37Å; M414-Y423 PolarHBondContact N-O 2.81Å; M414-Y423 PolarHBondContact O-N 3Å |
| 424 | L | 90.9 | Very high | 88.4 | Confident | 49 Ų | 49 | 45 Ų | 45 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 129.9 | 177.3 | -68.1 | 172.7 | 0 | 0 | 0 | 110.7 | L321 K399 S402 C410 | L321-L424 HydrophobicContact CD1-CD2 3.59Å; K399-L424 HydrophobicContact CB-CD1 4.32Å; K399-L424 HydrophobicContact CD-CD1 3.51Å; S402-L424 PolarHBondContact N-O 3.35Å; S402-L424 PolarHBondContact OG-N 3.39Å; S402-L424 PolarHBondContact OG-O 2.89Å; C410-L424 HydrophobicContact CB-CB 4.26Å |
| 425 | V | 92.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.8 | -172.5 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | L403 C410 Y412 M414 C429 R430 | L403-V425 HydrophobicContact CD1-CG1 3.98Å; L403-V425 HydrophobicContact CD1-CG2 4.09Å; C410-V425 WeakPolarHBondContact CA-O 3.45Å; Y412-V425 PolarHBondContact N-O 3.3Å; Y412-V425 PolarHBondContact O-N 3.48Å; M414-V425 HydrophobicContact CB-CG2 3.65Å; M414-V425 HydrophobicContact CE-CG2 4.38Å; M414-V425 HydrophobicContact SD-CG2 4.36Å; V425-C429 HydrophobicContact CG1-CB 3.33Å; V425-R430 HydrophobicContact CG1-CB 4.46Å |
| 426 | S | 91 | Very high | 88.6 | Confident | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | trans | -70.9 | 157.6 | 174.1 | 68.8 | 0 | 0 | 0 | 0 | 111.4 | C401 F428 C429 R430 | C401-S426 PolarHBondContact SG-N 3.29Å; S426-F428 PolarHBondContact O-N 3.25Å; S426-F428 VanDerWaalsContact O-N 3.16Å; S426-C429 PolarHBondContact O-N 3.06Å; S426-C429 PolarHBondContact OG-N 3.25Å; S426-R430 PolarHBondContact O-N 3.45Å | ||
| 427 | S | 89.5 | Confident | 88.9 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -55.8 | -33.7 | 173.4 | -172.9 | 0 | 0 | 0 | 0 | 112.6 | R430 N431 | S427-R430 PolarHBondContact O-N 3.24Å; S427-N431 WeakPolarHBondContact O-CB 3.35Å; S427-N431 PolarHBondContact O-N 2.73Å; S427-N431 PolarHBondContact O-ND2 3.44Å; S427-N431 PolarHBondContact O-OD1 3.31Å |
| 428 | F | 90.7 | Very high | 89.7 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 36% | 0.355 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.1 | -50.4 | 178.2 | 173.6 | -100.6 | 0 | 0 | 0 | 111.8 | S426 N431 R432 G475 | S426-F428 PolarHBondContact O-N 3.25Å; S426-F428 VanDerWaalsContact O-N 3.16Å; F428-N431 PolarHBondContact O-N 2.95Å; F428-R432 PolarHBondContact O-N 3.43Å; F428-G475 VanDerWaalsContact CE2-CA 3.47Å |
| 429 | C | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -39.1 | 177.7 | -71.4 | 0 | 0 | 0 | 0 | 112.1 | F298 C401 L403 V425 S426 N431 R432 I433 | F298-C429 HydrophobicContact CE1-CB 4.09Å; C401-C429 VanDerWaalsContact SG-SG 3.67Å; L403-C429 HydrophobicContact CB-CB 4.38Å; L403-C429 HydrophobicContact CD1-CB 3.93Å; V425-C429 HydrophobicContact CG1-CB 3.33Å; S426-C429 PolarHBondContact O-N 3.06Å; S426-C429 PolarHBondContact OG-N 3.25Å; C429-N431 VanDerWaalsContact C-N 3.32Å; C429-N431 PolarHBondContact O-N 3.41Å; C429-R432 PolarHBondContact O-N 3.11Å; C429-I433 WeakPolarHBondContact O-CG1 3.31Å; C429-I433 PolarHBondContact O-N 3.37Å |
| 430 | R | 93.2 | Very high | 91.8 | Very high | 83 Ų | 83 | 38.1 Ų | 38.1 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -57.4 | -45.2 | 174.8 | -178.7 | -80.9 | -112.2 | -167.1 | 0 | 111.4 | L318 Y412 V425 S426 S427 R432 I433 A434 | L318-R430 HydrophobicContact CD2-CB 4.41Å; L318-R430 HydrophobicContact CD2-CG 3.84Å; Y412-R430 HydrophobicContact CD1-CG 3.92Å; Y412-R430 HydrophobicContact CD2-CB 4.02Å; Y412-R430 HydrophobicContact CD2-CG 4.16Å; Y412-R430 HydrophobicContact CE1-CG 4.1Å; Y412-R430 HydrophobicContact CE2-CB 4.39Å; Y412-R430 HydrophobicContact CE2-CG 4.35Å; Y412-R430 HydrophobicContact CG-CB 4.15Å; Y412-R430 HydrophobicContact CG-CG 3.95Å; Y412-R430 VanDerWaalsContact CZ-NE 3.34Å; Y412-R430 PolarHBondContact OH-NE 3.01Å; Y412-R430 PolarHBondContact OH-NH2 3.45Å; V425-R430 HydrophobicContact CG1-CB 4.46Å; S426-R430 PolarHBondContact O-N 3.45Å; S427-R430 PolarHBondContact O-N 3.24Å; R430-R432 PolarHBondContact O-N 3.38Å; R430-I433 PolarHBondContact O-N 3.4Å; R430-A434 VanDerWaalsContact O-CB 3.31Å; R430-A434 WeakPolarHBondContact O-CB 3.3Å; R430-A434 PolarHBondContact O-N 3.29Å |
| 431 | N | 93.2 | Very high | 92.5 | Very high | 30 Ų | 30 | 32.9 Ų | 32.9 | 16% | 0.16 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | -178.1 | -66.8 | -9.4 | 0 | 0 | 0 | 111.8 | S427 F428 C429 A434 A435 | S427-N431 WeakPolarHBondContact O-CB 3.35Å; S427-N431 PolarHBondContact O-N 2.73Å; S427-N431 PolarHBondContact O-ND2 3.44Å; S427-N431 PolarHBondContact O-OD1 3.31Å; F428-N431 PolarHBondContact O-N 2.95Å; C429-N431 VanDerWaalsContact C-N 3.32Å; C429-N431 PolarHBondContact O-N 3.41Å; N431-A434 PolarHBondContact O-N 2.78Å; N431-A435 WeakPolarHBondContact O-CB 3.44Å; N431-A435 PolarHBondContact O-N 2.87Å |
| 432 | R | 94.4 | Very high | 92.9 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -44.3 | 174.9 | -72.5 | 177.6 | 70 | -170.3 | 4.4 | 112 | P294 C295 T297 F298 F428 C429 R430 V436 A472 | P294-R432 PolarHBondContact O-NH2 3.29Å; C295-R432 PolarHBondContact O-NE 3.15Å; C295-R432 PolarHBondContact O-NH2 3.16Å; T297-R432 PolarHBondContact O-NH1 3.33Å; T297-R432 VanDerWaalsContact O-NH1 3.17Å; T297-R432 PolarHBondContact O-NH2 3Å; F298-R432 HydrophobicContact CZ-CB 4.23Å; F428-R432 PolarHBondContact O-N 3.43Å; C429-R432 PolarHBondContact O-N 3.11Å; R430-R432 PolarHBondContact O-N 3.38Å; R432-V436 WeakPolarHBondContact O-CG2 3.33Å; R432-V436 PolarHBondContact O-N 3.02Å; R432-A472 HydrophobicContact CG-CB 4.3Å; R432-A472 VanDerWaalsContact CG-O 3.3Å; R432-A472 WeakPolarHBondContact CG-O 3.44Å |
| 433 | I | 94 | Very high | 93 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.5 | -48.5 | 177.5 | -68.5 | 166.7 | 0 | 0 | 0 | 110.8 | L296 F298 V307 I311 I316 L318 L403 M414 C429 R430 A435 V436 C437 | L296-I433 HydrophobicContact CD2-CG1 4.17Å; F298-I433 HydrophobicContact CZ-CG1 4.29Å; V307-I433 HydrophobicContact CG1-CD1 4.15Å; V307-I433 HydrophobicContact CG1-CG1 4.15Å; I311-I433 HydrophobicContact CD1-CG2 4.2Å; I316-I433 HydrophobicContact CD1-CG2 3.82Å; L318-I433 HydrophobicContact CD1-CG2 3.85Å; L318-I433 HydrophobicContact CD2-CB 4.35Å; L318-I433 HydrophobicContact CD2-CG2 4.03Å; L403-I433 HydrophobicContact CD1-CD1 3.58Å; M414-I433 HydrophobicContact SD-CD1 3.69Å; C429-I433 WeakPolarHBondContact O-CG1 3.31Å; C429-I433 PolarHBondContact O-N 3.37Å; R430-I433 PolarHBondContact O-N 3.4Å; I433-A435 PolarHBondContact O-N 2.72Å; I433-V436 PolarHBondContact O-N 3.31Å; I433-C437 PolarHBondContact O-N 3.13Å; I433-C437 PolarHBondContact O-SG 3.42Å; I433-C437 VanDerWaalsContact O-SG 3.35Å |
| 434 | A | 93.9 | Very high | 93 | Very high | 23 Ų | 23 | 25.2 Ų | 25.2 | 19% | 0.19 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.4 | -48.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R430 N431 V436 C437 D438 | R430-A434 VanDerWaalsContact O-CB 3.31Å; R430-A434 WeakPolarHBondContact O-CB 3.3Å; R430-A434 PolarHBondContact O-N 3.29Å; N431-A434 PolarHBondContact O-N 2.78Å; A434-V436 PolarHBondContact O-N 3.49Å; A434-C437 CarbonylContact O-C 3.51Å; A434-C437 WeakPolarHBondContact O-CA 3.39Å; A434-C437 WeakPolarHBondContact O-CB 3.3Å; A434-C437 PolarHBondContact O-N 2.87Å; A434-D438 PolarHBondContact O-N 3.04Å |
| 435 | A | 94.7 | Very high | 93.1 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 6% | 0.058 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.9 | -36.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N431 I433 L439 I469 A472 | N431-A435 WeakPolarHBondContact O-CB 3.44Å; N431-A435 PolarHBondContact O-N 2.87Å; I433-A435 PolarHBondContact O-N 2.72Å; A435-L439 PolarHBondContact O-N 2.98Å; A435-I469 HydrophobicContact CB-CG1 3.92Å; A435-I469 WeakPolarHBondContact O-CG1 3.37Å; A435-A472 HydrophobicContact CB-CB 3.9Å |
| 436 | V | 95 | Very high | 93 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -74.9 | -41.5 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | V292 C295 L296 I311 R432 I433 A434 D438 L439 F440 I469 | V292-V436 HydrophobicContact CG1-CG1 4Å; V292-V436 HydrophobicContact CG2-CG1 4.23Å; C295-V436 HydrophobicContact CB-CG2 4.05Å; L296-V436 HydrophobicContact CD1-CG1 4.08Å; L296-V436 HydrophobicContact CD2-CG2 4.29Å; L296-V436 HydrophobicContact CG-CG2 4.21Å; I311-V436 HydrophobicContact CG2-CG1 4.15Å; R432-V436 WeakPolarHBondContact O-CG2 3.33Å; R432-V436 PolarHBondContact O-N 3.02Å; I433-V436 PolarHBondContact O-N 3.31Å; A434-V436 PolarHBondContact O-N 3.49Å; V436-D438 VanDerWaalsContact C-N 3.29Å; V436-D438 PolarHBondContact O-N 2.98Å; V436-L439 PolarHBondContact O-N 3.02Å; V436-F440 HydrophobicContact CG1-CD2 3.74Å; V436-F440 HydrophobicContact CG1-CE2 3.68Å; V436-F440 WeakPolarHBondContact O-CD2 3.48Å; V436-F440 PolarHBondContact O-N 3.12Å; V436-F440 VanDerWaalsContact O-N 3.15Å; V436-I469 HydrophobicContact CG2-CD1 4.35Å; V436-I469 HydrophobicContact CG2-CG1 4.27Å; V436-I469 HydrophobicContact CG2-CG2 4.32Å |
| 437 | C | 94.6 | Very high | 92.8 | Very high | 25 Ų | 25 | 28.7 Ų | 28.7 | 17% | 0.169 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.3 | -41 | 174.7 | -73.2 | 0 | 0 | 0 | 0 | 112 | I433 A434 L439 F440 T441 | I433-C437 PolarHBondContact O-N 3.13Å; I433-C437 PolarHBondContact O-SG 3.42Å; I433-C437 VanDerWaalsContact O-SG 3.35Å; A434-C437 CarbonylContact O-C 3.51Å; A434-C437 WeakPolarHBondContact O-CA 3.39Å; A434-C437 WeakPolarHBondContact O-CB 3.3Å; A434-C437 PolarHBondContact O-N 2.87Å; C437-L439 VanDerWaalsContact C-N 3.34Å; C437-L439 PolarHBondContact O-N 2.82Å; C437-F440 PolarHBondContact O-N 2.84Å; C437-T441 VanDerWaalsContact O-CB 3.25Å; C437-T441 WeakPolarHBondContact O-CB 3.5Å; C437-T441 PolarHBondContact O-N 3.3Å; C437-T441 PolarHBondContact O-OG1 3.41Å |
| 438 | D | 94.6 | Very high | 92.7 | Very high | 83 Ų | 83 | 33 Ų | 33 | 44% | 0.444 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 179 | -62.8 | -23.6 | 0 | 0 | 0 | 110.8 | A434 V436 T441 Y442 L465 | A434-D438 PolarHBondContact O-N 3.04Å; V436-D438 VanDerWaalsContact C-N 3.29Å; V436-D438 PolarHBondContact O-N 2.98Å; D438-T441 PolarHBondContact O-N 3.44Å; D438-Y442 WeakPolarHBondContact O-CB 3.42Å; D438-Y442 PolarHBondContact O-N 3.08Å; D438-L465 HydrophobicContact CB-CD2 3.85Å |
| 439 | L | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.3 | -52.6 | 175.4 | 179 | 65.4 | 0 | 0 | 0 | 112.5 | I287 A435 V436 C437 T441 Y442 L443 V462 L465 I469 | I287-L439 HydrophobicContact CG2-CD2 3.61Å; A435-L439 PolarHBondContact O-N 2.98Å; V436-L439 PolarHBondContact O-N 3.02Å; C437-L439 VanDerWaalsContact C-N 3.34Å; C437-L439 PolarHBondContact O-N 2.82Å; L439-T441 VanDerWaalsContact C-N 3.29Å; L439-T441 PolarHBondContact O-N 2.96Å; L439-Y442 PolarHBondContact O-N 2.94Å; L439-L443 HydrophobicContact CD1-CD1 4.31Å; L439-L443 HydrophobicContact CD1-CG 4.35Å; L439-L443 HydrophobicContact CG-CD1 4.2Å; L439-L443 WeakPolarHBondContact O-CG 3.49Å; L439-L443 PolarHBondContact O-N 3.34Å; L439-V462 HydrophobicContact CD1-CG1 4.29Å; L439-L465 HydrophobicContact CB-CB 4.34Å; L439-L465 HydrophobicContact CD1-CB 3.9Å; L439-L465 HydrophobicContact CD1-CD1 4.25Å; L439-I469 HydrophobicContact CB-CD1 3.92Å; L439-I469 HydrophobicContact CD2-CD1 3.57Å; L439-I469 HydrophobicContact CG-CD1 4.36Å |
| 440 | F | 93.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 36.2 Ų | 36.2 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.8 | -33.1 | -178.9 | -79.9 | -75.4 | 0 | 0 | 0 | 112.5 | I276 F288 V292 I311 L312 V436 C437 R444 | I276-F440 HydrophobicContact CD1-CD1 4.28Å; F288-F440 AromaticContact CE1-CZ 3.77Å; F288-F440 HydrophobicContact CE1-CZ 3.77Å; F288-F440 HydrophobicContact CE2-CE1 4.27Å; F288-F440 HydrophobicContact CE2-CZ 4.1Å; F288-F440 AromaticContact CZ-CE1 3.82Å; F288-F440 HydrophobicContact CZ-CE1 3.82Å; F288-F440 AromaticContact CZ-CZ 3.47Å; F288-F440 HydrophobicContact CZ-CZ 3.47Å; F288-F440 VanDerWaalsContact CZ-CZ 3.47Å; V292-F440 HydrophobicContact CG1-CE2 4.25Å; V292-F440 HydrophobicContact CG2-CE2 3.81Å; V292-F440 HydrophobicContact CG2-CZ 4.11Å; I311-F440 HydrophobicContact CG2-CD2 3.93Å; I311-F440 HydrophobicContact CG2-CE2 4.5Å; L312-F440 HydrophobicContact CD2-CD1 4.06Å; L312-F440 HydrophobicContact CD2-CE1 3.48Å; L312-F440 VanDerWaalsContact CD2-CE1 3.48Å; L312-F440 HydrophobicContact CD2-CE2 4.03Å; L312-F440 HydrophobicContact CD2-CZ 3.48Å; L312-F440 VanDerWaalsContact CD2-CZ 3.48Å; V436-F440 HydrophobicContact CG1-CD2 3.74Å; V436-F440 HydrophobicContact CG1-CE2 3.68Å; V436-F440 WeakPolarHBondContact O-CD2 3.48Å; V436-F440 PolarHBondContact O-N 3.12Å; V436-F440 VanDerWaalsContact O-N 3.15Å; C437-F440 PolarHBondContact O-N 2.84Å; F440-R444 VanDerWaalsContact O-CG 3.26Å; F440-R444 WeakPolarHBondContact O-CG 3.23Å; F440-R444 PolarHBondContact O-N 2.93Å |
| 441 | T | 93.2 | Very high | 91.3 | Very high | 25 Ų | 25 | 34.3 Ų | 34.3 | 15% | 0.153 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | 175.4 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | C437 D438 L439 L443 R444 Y445 | C437-T441 VanDerWaalsContact O-CB 3.25Å; C437-T441 WeakPolarHBondContact O-CB 3.5Å; C437-T441 PolarHBondContact O-N 3.3Å; C437-T441 PolarHBondContact O-OG1 3.41Å; D438-T441 PolarHBondContact O-N 3.44Å; L439-T441 VanDerWaalsContact C-N 3.29Å; L439-T441 PolarHBondContact O-N 2.96Å; T441-L443 PolarHBondContact O-N 3.3Å; T441-R444 PolarHBondContact O-N 3.47Å; T441-Y445 HydrophobicContact CG2-CD2 4.2Å; T441-Y445 HydrophobicContact CG2-CE1 4.12Å; T441-Y445 HydrophobicContact CG2-CE2 3.53Å; T441-Y445 VanDerWaalsContact CG2-CZ 3.48Å; T441-Y445 PolarHBondContact O-N 2.88Å |
| 442 | Y | 93.9 | Very high | 90.5 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 11% | 0.106 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -46 | 175.4 | -177.5 | -105.5 | 0 | 0 | 0 | 112.6 | D438 L439 R444 Y445 L446 L451 S458 E461 V462 L465 | D438-Y442 WeakPolarHBondContact O-CB 3.42Å; D438-Y442 PolarHBondContact O-N 3.08Å; L439-Y442 PolarHBondContact O-N 2.94Å; Y442-R444 VanDerWaalsContact C-N 3.3Å; Y442-R444 PolarHBondContact O-N 3.3Å; Y442-Y445 PolarHBondContact O-N 2.94Å; Y442-Y445 VanDerWaalsContact O-N 3.14Å; Y442-L446 HydrophobicContact CD1-CD1 3.95Å; Y442-L446 HydrophobicContact CD1-CG 4.49Å; Y442-L446 HydrophobicContact CE1-CD1 3.46Å; Y442-L446 VanDerWaalsContact CE1-CD1 3.46Å; Y442-L446 HydrophobicContact CE1-CG 4.08Å; Y442-L446 PolarHBondContact O-N 3.42Å; Y442-L451 HydrophobicContact CD2-CD1 3.74Å; Y442-L451 HydrophobicContact CE2-CD1 3.4Å; Y442-L451 VanDerWaalsContact CE2-CD1 3.4Å; Y442-S458 WeakPolarHBondContact OH-CA 3.31Å; Y442-S458 PolarHBondContact OH-O 3.45Å; Y442-E461 HydrophobicContact CD2-CG 4.26Å; Y442-E461 HydrophobicContact CE1-CB 4.03Å; Y442-E461 HydrophobicContact CE1-CG 4.19Å; Y442-E461 HydrophobicContact CE2-CB 4.18Å; Y442-E461 HydrophobicContact CE2-CG 3.69Å; Y442-E461 WeakPolarHBondContact OH-CB 3.39Å; Y442-V462 HydrophobicContact CD1-CG2 4.12Å; Y442-V462 HydrophobicContact CE1-CG2 3.79Å; Y442-L465 HydrophobicContact CD1-CD1 3.65Å; Y442-L465 HydrophobicContact CD2-CD1 4.36Å; Y442-L465 HydrophobicContact CE1-CD1 4.47Å; Y442-L465 HydrophobicContact CG-CD1 3.59Å |
| 443 | L | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -35.3 | 176.5 | -68 | 176.2 | 0 | 0 | 0 | 112.5 | W270 I276 F283 L284 L439 T441 L446 S447 V462 | W270-L443 HydrophobicContact CH2-CB 4.02Å; W270-L443 HydrophobicContact CH2-CD2 3.63Å; W270-L443 HydrophobicContact CH2-CG 4.35Å; W270-L443 HydrophobicContact CZ2-CB 4.45Å; W270-L443 HydrophobicContact CZ2-CD2 4.37Å; W270-L443 HydrophobicContact CZ3-CD2 3.71Å; I276-L443 HydrophobicContact CD1-CB 3.54Å; I276-L443 HydrophobicContact CG1-CB 4.35Å; F283-L443 HydrophobicContact CE1-CD1 4.49Å; F283-L443 HydrophobicContact CE1-CD2 3.99Å; F283-L443 HydrophobicContact CZ-CD2 4.19Å; L284-L443 HydrophobicContact CD2-CD1 4.07Å; L439-L443 HydrophobicContact CD1-CD1 4.31Å; L439-L443 HydrophobicContact CD1-CG 4.35Å; L439-L443 HydrophobicContact CG-CD1 4.2Å; L439-L443 WeakPolarHBondContact O-CG 3.49Å; L439-L443 PolarHBondContact O-N 3.34Å; T441-L443 PolarHBondContact O-N 3.3Å; L443-L446 HydrophobicContact CD2-CD1 4.36Å; L443-L446 PolarHBondContact O-N 3.42Å; L443-S447 PolarHBondContact O-N 3.22Å; L443-V462 HydrophobicContact CD2-CG2 4.28Å |
| 444 | R | 91.7 | Very high | 89.4 | Confident | 32 Ų | 32 | 49.3 Ų | 49.3 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 173.3 | -72.5 | 175.7 | -166.1 | 136 | -1.4 | 112.4 | I276 I311 L312 N314 F440 T441 Y442 L446 S447 Q448 | I276-R444 HydrophobicContact CD1-CG 3.68Å; I311-R444 PolarHBondContact O-NH2 3.02Å; L312-R444 PolarHBondContact O-NH2 3.46Å; N314-R444 PolarHBondContact OD1-NH1 3.29Å; F440-R444 VanDerWaalsContact O-CG 3.26Å; F440-R444 WeakPolarHBondContact O-CG 3.23Å; F440-R444 PolarHBondContact O-N 2.93Å; T441-R444 PolarHBondContact O-N 3.47Å; Y442-R444 VanDerWaalsContact C-N 3.3Å; Y442-R444 PolarHBondContact O-N 3.3Å; R444-L446 VanDerWaalsContact C-N 3.31Å; R444-S447 PolarHBondContact O-N 3.24Å; R444-S447 PolarHBondContact O-OG 3.46Å; R444-Q448 WeakPolarHBondContact O-CB 3.36Å; R444-Q448 VanDerWaalsContact O-CG 3.23Å; R444-Q448 WeakPolarHBondContact O-CG 3.47Å; R444-Q448 PolarHBondContact O-N 2.92Å |
| 445 | Y | 91.5 | Very high | 89.2 | Confident | 77 Ų | 77 | 52 Ų | 52 | 30% | 0.302 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 175.5 | -65 | -22.5 | 0 | 0 | 0 | 112.1 | T441 Y442 G449 L450 | T441-Y445 HydrophobicContact CG2-CD2 4.2Å; T441-Y445 HydrophobicContact CG2-CE1 4.12Å; T441-Y445 HydrophobicContact CG2-CE2 3.53Å; T441-Y445 VanDerWaalsContact CG2-CZ 3.48Å; T441-Y445 PolarHBondContact O-N 2.88Å; Y442-Y445 PolarHBondContact O-N 2.94Å; Y442-Y445 VanDerWaalsContact O-N 3.14Å; Y445-G449 PolarHBondContact O-N 2.82Å; Y445-L450 HydrophobicContact CD1-CD1 3.89Å; Y445-L450 HydrophobicContact CE1-CD1 4.46Å; Y445-L450 PolarHBondContact O-N 3.5Å; Y445-L450 VanDerWaalsContact O-N 3.11Å |
| 446 | L | 90.7 | Very high | 88.9 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 170.8 | -73 | 174 | 0 | 0 | 0 | 111.6 | F267 W270 Y274 Y442 L443 R444 Q448 G449 L451 | F267-L446 HydrophobicContact CE2-CD1 4.33Å; F267-L446 HydrophobicContact CZ-CD1 4.17Å; W270-L446 HydrophobicContact CZ3-CD1 4.35Å; Y274-L446 WeakPolarHBondContact CE1-O 3.42Å; Y442-L446 HydrophobicContact CD1-CD1 3.95Å; Y442-L446 HydrophobicContact CD1-CG 4.49Å; Y442-L446 HydrophobicContact CE1-CD1 3.46Å; Y442-L446 VanDerWaalsContact CE1-CD1 3.46Å; Y442-L446 HydrophobicContact CE1-CG 4.08Å; Y442-L446 PolarHBondContact O-N 3.42Å; L443-L446 HydrophobicContact CD2-CD1 4.36Å; L443-L446 PolarHBondContact O-N 3.42Å; R444-L446 VanDerWaalsContact C-N 3.31Å; L446-Q448 VanDerWaalsContact C-N 3.31Å; L446-Q448 PolarHBondContact O-N 2.9Å; L446-G449 PolarHBondContact O-N 3.29Å; L446-G449 VanDerWaalsContact O-N 3.15Å; L446-L451 HydrophobicContact CD2-CB 4Å; L446-L451 HydrophobicContact CD2-CD1 3.97Å; L446-L451 HydrophobicContact CG-CD1 4.03Å |
| 447 | S | 87.5 | Confident | 88.7 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 29% | 0.287 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.3 | -28.1 | -179.9 | 68.5 | 0 | 0 | 0 | 0 | 114.1 | Y274 L443 R444 G449 | Y274-S447 VanDerWaalsContact O-CB 3.27Å; Y274-S447 WeakPolarHBondContact O-CB 3.39Å; L443-S447 PolarHBondContact O-N 3.22Å; R444-S447 PolarHBondContact O-N 3.24Å; R444-S447 PolarHBondContact O-OG 3.46Å; S447-G449 VanDerWaalsContact C-N 3.28Å |
| 448 | Q | 87.7 | Confident | 88.5 | Confident | 126 Ų | 126 | 60.2 Ų | 60.2 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -6.4 | 174.8 | -69.2 | 170.1 | 2.4 | 0 | 0 | 113.4 | R444 L446 L450 | R444-Q448 WeakPolarHBondContact O-CB 3.36Å; R444-Q448 VanDerWaalsContact O-CG 3.23Å; R444-Q448 WeakPolarHBondContact O-CG 3.47Å; R444-Q448 PolarHBondContact O-N 2.92Å; L446-Q448 VanDerWaalsContact C-N 3.31Å; L446-Q448 PolarHBondContact O-N 2.9Å; Q448-L450 VanDerWaalsContact C-N 3.25Å; Q448-L450 HydrophobicContact CB-CD1 4.08Å; Q448-L450 HydrophobicContact CB-CG 4.04Å; Q448-L450 PolarHBondContact O-N 3.44Å; Q448-L450 VanDerWaalsContact OE1-CD1 3.25Å |
| 449 | G | 84.2 | Confident | 88.4 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 17.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y445 L446 S447 L451 | Y445-G449 PolarHBondContact O-N 2.82Å; L446-G449 PolarHBondContact O-N 3.29Å; L446-G449 VanDerWaalsContact O-N 3.15Å; S447-G449 VanDerWaalsContact C-N 3.28Å; G449-L451 PolarHBondContact O-N 3.23Å |
| 450 | L | 81.8 | Confident | 88.3 | Confident | 95 Ų | 95 | 57.1 Ų | 57.1 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | trans | -72.9 | -19.4 | 179.2 | -69.3 | 170.1 | 0 | 0 | 0 | 112.6 | Y445 Q448 | Y445-L450 HydrophobicContact CD1-CD1 3.89Å; Y445-L450 HydrophobicContact CE1-CD1 4.46Å; Y445-L450 PolarHBondContact O-N 3.5Å; Y445-L450 VanDerWaalsContact O-N 3.11Å; Q448-L450 VanDerWaalsContact C-N 3.25Å; Q448-L450 HydrophobicContact CB-CD1 4.08Å; Q448-L450 HydrophobicContact CB-CG 4.04Å; Q448-L450 PolarHBondContact O-N 3.44Å; Q448-L450 VanDerWaalsContact OE1-CD1 3.25Å | ||
| 451 | L | 80.6 | Confident | 88.2 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 23% | 0.225 | 30% | 0.299 | C | S | . | . | trans | -109.4 | 116 | -177.2 | -69.1 | 168.5 | 0 | 0 | 0 | 110.7 | Y442 L446 G449 H453 | Y442-L451 HydrophobicContact CD2-CD1 3.74Å; Y442-L451 HydrophobicContact CE2-CD1 3.4Å; Y442-L451 VanDerWaalsContact CE2-CD1 3.4Å; L446-L451 HydrophobicContact CD2-CB 4Å; L446-L451 HydrophobicContact CD2-CD1 3.97Å; L446-L451 HydrophobicContact CG-CD1 4.03Å; G449-L451 PolarHBondContact O-N 3.23Å; L451-H453 VanDerWaalsContact C-N 3.34Å; L451-H453 PolarHBondContact O-N 3.27Å | ||
| 452 | R | 75.6 | Confident | 88.2 | Confident | 247 Ų | 247 | 58.7 Ų | 58.7 | 93% | 0.932 | 29% | 0.291 | S | S | * | . | trans | -93.6 | 50.5 | 179.9 | -62.8 | -172.6 | 178.9 | -164.6 | 1.2 | 112.8 | ||||
| 453 | H | 81.5 | Confident | 88.2 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 40% | 0.403 | 30% | 0.297 | S | S | . | . | trans | -99.1 | 150 | -179 | -65.6 | 109.8 | 0 | 0 | 0 | 112.3 | R271 L451 D457 S458 | R271-H453 PolarHBondContact NH1-O 3.44Å; R271-H453 PolarHBondContact NH2-O 3.2Å; L451-H453 VanDerWaalsContact C-N 3.34Å; L451-H453 PolarHBondContact O-N 3.27Å; H453-D457 HydrophobicContact CB-CB 4.12Å; H453-S458 WeakPolarHBondContact CB-OG 3.27Å; H453-S458 PolarHBondContact O-OG 2.88Å | ||
| 454 | G | 85.4 | Confident | 88.2 | Confident | 34 Ų | 34 | 62.5 Ų | 62.5 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | trans | -59.8 | 165.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | R271 Y456 D457 S458 | R271-G454 PolarHBondContact NH1-O 3.46Å; G454-Y456 VanDerWaalsContact C-N 3.26Å; G454-Y456 PolarHBondContact O-N 3.27Å; G454-D457 PolarHBondContact N-OD2 3.17Å; G454-D457 PolarHBondContact O-N 2.94Å; G454-S458 VanDerWaalsContact O-CB 3.31Å; G454-S458 WeakPolarHBondContact O-CB 3.41Å; G454-S458 PolarHBondContact O-N 2.96Å; G454-S458 PolarHBondContact O-OG 3.38Å | ||
| 455 | I | 87.9 | Confident | 88.3 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 179 | -58.1 | 173.1 | 0 | 0 | 0 | 110 | F267 A268 Y459 | F267-I455 HydrophobicContact CD1-CG2 4.18Å; F267-I455 HydrophobicContact CE1-CG2 4.19Å; A268-I455 HydrophobicContact CB-CG2 4.38Å; I455-Y459 WeakPolarHBondContact O-CB 3.36Å; I455-Y459 PolarHBondContact O-N 2.98Å |
| 456 | Y | 89.3 | Confident | 88.4 | Confident | 118 Ų | 118 | 59.7 Ų | 59.7 | 46% | 0.463 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.5 | -57.9 | 176.4 | -175.1 | -91.1 | 0 | 0 | 0 | 112.2 | I259 G454 S458 Y459 V460 | I259-Y456 HydrophobicContact CD1-CD2 3.63Å; I259-Y456 HydrophobicContact CD1-CE2 3.16Å; I259-Y456 HydrophobicContact CD1-CG 4.49Å; I259-Y456 HydrophobicContact CG1-CE2 4.33Å; G454-Y456 VanDerWaalsContact C-N 3.26Å; G454-Y456 PolarHBondContact O-N 3.27Å; Y456-S458 VanDerWaalsContact C-N 3.28Å; Y456-S458 PolarHBondContact O-N 3.27Å; Y456-Y459 WeakPolarHBondContact O-CB 3.26Å; Y456-Y459 PolarHBondContact O-N 2.98Å; Y456-V460 HydrophobicContact CD1-CG2 4.03Å; Y456-V460 HydrophobicContact CE1-CG2 3.66Å; Y456-V460 WeakPolarHBondContact O-CG2 2.95Å; Y456-V460 PolarHBondContact O-N 3.19Å |
| 457 | D | 89.6 | Confident | 88.6 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | -177.6 | -52.4 | -41 | 0 | 0 | 0 | 111.9 | H453 G454 Y459 V460 E461 | H453-D457 HydrophobicContact CB-CB 4.12Å; G454-D457 PolarHBondContact N-OD2 3.17Å; G454-D457 PolarHBondContact O-N 2.94Å; D457-Y459 VanDerWaalsContact C-N 3.28Å; D457-Y459 PolarHBondContact O-N 2.94Å; D457-V460 PolarHBondContact O-N 2.96Å; D457-E461 PolarHBondContact O-N 3.3Å; D457-E461 VanDerWaalsContact O-N 3.13Å |
| 458 | S | 91.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | Y442 H453 G454 Y456 E461 V462 | Y442-S458 WeakPolarHBondContact OH-CA 3.31Å; Y442-S458 PolarHBondContact OH-O 3.45Å; H453-S458 WeakPolarHBondContact CB-OG 3.27Å; H453-S458 PolarHBondContact O-OG 2.88Å; G454-S458 VanDerWaalsContact O-CB 3.31Å; G454-S458 WeakPolarHBondContact O-CB 3.41Å; G454-S458 PolarHBondContact O-N 2.96Å; G454-S458 PolarHBondContact O-OG 3.38Å; Y456-S458 VanDerWaalsContact C-N 3.28Å; Y456-S458 PolarHBondContact O-N 3.27Å; S458-E461 PolarHBondContact O-N 3.07Å; S458-V462 WeakPolarHBondContact O-CG2 3.38Å; S458-V462 PolarHBondContact O-N 2.87Å; S458-V462 VanDerWaalsContact O-N 3.17Å |
| 459 | Y | 93.1 | Very high | 89.2 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.3 | -38.9 | 179.7 | -173.5 | -101.2 | 0 | 0 | 0 | 112.6 | I259 C263 H264 F267 I455 Y456 D457 E461 V462 V463 | I259-Y459 HydrophobicContact CD1-CD1 4.06Å; I259-Y459 HydrophobicContact CG1-CD1 4.38Å; I259-Y459 HydrophobicContact CG1-CE1 4.47Å; I259-Y459 HydrophobicContact CG2-CD1 3.75Å; I259-Y459 HydrophobicContact CG2-CE1 3.46Å; I259-Y459 VanDerWaalsContact CG2-CE1 3.46Å; C263-Y459 WeakPolarHBondContact CB-OH 3.25Å; H264-Y459 HydrophobicContact CB-CE1 4.37Å; H264-Y459 AromaticContact CD2-CD1 3.9Å; H264-Y459 AromaticContact CD2-CG 3.92Å; F267-Y459 HydrophobicContact CB-CD2 3.46Å; F267-Y459 VanDerWaalsContact CB-CD2 3.46Å; F267-Y459 HydrophobicContact CB-CE2 3.68Å; F267-Y459 AromaticContact CD1-CD2 3.52Å; F267-Y459 HydrophobicContact CD1-CD2 3.52Å; F267-Y459 HydrophobicContact CD1-CG 4.01Å; F267-Y459 HydrophobicContact CD2-CD2 4.07Å; F267-Y459 HydrophobicContact CE1-CD2 4.23Å; F267-Y459 HydrophobicContact CE1-CG 4.49Å; F267-Y459 AromaticContact CG-CD2 3.41Å; F267-Y459 HydrophobicContact CG-CD2 3.41Å; F267-Y459 VanDerWaalsContact CG-CD2 3.41Å; F267-Y459 HydrophobicContact CG-CE2 4.11Å; F267-Y459 HydrophobicContact CG-CG 4.34Å; I455-Y459 WeakPolarHBondContact O-CB 3.36Å; I455-Y459 PolarHBondContact O-N 2.98Å; Y456-Y459 WeakPolarHBondContact O-CB 3.26Å; Y456-Y459 PolarHBondContact O-N 2.98Å; D457-Y459 VanDerWaalsContact C-N 3.28Å; D457-Y459 PolarHBondContact O-N 2.94Å; Y459-E461 PolarHBondContact O-N 3.3Å; Y459-V462 CarbonylContact O-C 3.58Å; Y459-V462 WeakPolarHBondContact O-CA 3.44Å; Y459-V462 WeakPolarHBondContact O-CB 3.37Å; Y459-V462 PolarHBondContact O-N 3.24Å; Y459-V463 HydrophobicContact CD1-CG2 3.87Å; Y459-V463 HydrophobicContact CE1-CG2 3.42Å; Y459-V463 VanDerWaalsContact CE1-CG2 3.42Å; Y459-V463 WeakPolarHBondContact O-CG2 3.42Å; Y459-V463 PolarHBondContact O-N 3.4Å |
| 460 | V | 91.8 | Very high | 89.6 | Confident | 10 Ų | 10 | 58.8 Ų | 58.8 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.7 | -40 | 173.6 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | I257 I259 Y456 D457 V463 K464 | I257-V460 HydrophobicContact CD1-CG1 4.09Å; I259-V460 HydrophobicContact CD1-CG2 3.86Å; Y456-V460 HydrophobicContact CD1-CG2 4.03Å; Y456-V460 HydrophobicContact CE1-CG2 3.66Å; Y456-V460 WeakPolarHBondContact O-CG2 2.95Å; Y456-V460 PolarHBondContact O-N 3.19Å; D457-V460 PolarHBondContact O-N 2.96Å; V460-V463 WeakPolarHBondContact O-CB 3.19Å; V460-V463 PolarHBondContact O-N 3.05Å; V460-K464 WeakPolarHBondContact O-CG 2.87Å; V460-K464 PolarHBondContact O-N 3.39Å |
| 461 | E | 91.9 | Very high | 90.1 | Very high | 62 Ų | 62 | 56.4 Ų | 56.4 | 29% | 0.29 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.6 | -40 | 175.2 | -161.8 | 56 | -141.2 | 0 | 0 | 112.4 | Y442 D457 S458 Y459 V463 K464 L465 | Y442-E461 HydrophobicContact CD2-CG 4.26Å; Y442-E461 HydrophobicContact CE1-CB 4.03Å; Y442-E461 HydrophobicContact CE1-CG 4.19Å; Y442-E461 HydrophobicContact CE2-CB 4.18Å; Y442-E461 HydrophobicContact CE2-CG 3.69Å; Y442-E461 WeakPolarHBondContact OH-CB 3.39Å; D457-E461 PolarHBondContact O-N 3.3Å; D457-E461 VanDerWaalsContact O-N 3.13Å; S458-E461 PolarHBondContact O-N 3.07Å; Y459-E461 PolarHBondContact O-N 3.3Å; E461-V463 VanDerWaalsContact C-N 3.28Å; E461-V463 PolarHBondContact O-N 3.06Å; E461-K464 WeakPolarHBondContact O-CB 3.32Å; E461-K464 PolarHBondContact O-N 3.32Å; E461-K464 WeakPolarHBondContact OE2-CD 3.2Å; E461-K464 IonicContact OE2-NZ 2.66Å; E461-K464 PolarHBondContact OE2-NZ 3.16Å; E461-L465 WeakPolarHBondContact O-CG 3.43Å; E461-L465 PolarHBondContact O-N 3.13Å |
| 462 | V | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 170.2 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | F267 F283 L439 Y442 L443 S458 Y459 K464 L465 R466 | F267-V462 HydrophobicContact CE2-CG2 3.92Å; F267-V462 HydrophobicContact CZ-CG2 4.35Å; F283-V462 HydrophobicContact CE2-CG1 4.21Å; F283-V462 HydrophobicContact CZ-CG1 4.01Å; L439-V462 HydrophobicContact CD1-CG1 4.29Å; Y442-V462 HydrophobicContact CD1-CG2 4.12Å; Y442-V462 HydrophobicContact CE1-CG2 3.79Å; L443-V462 HydrophobicContact CD2-CG2 4.28Å; S458-V462 WeakPolarHBondContact O-CG2 3.38Å; S458-V462 PolarHBondContact O-N 2.87Å; S458-V462 VanDerWaalsContact O-N 3.17Å; Y459-V462 CarbonylContact O-C 3.58Å; Y459-V462 WeakPolarHBondContact O-CA 3.44Å; Y459-V462 WeakPolarHBondContact O-CB 3.37Å; Y459-V462 PolarHBondContact O-N 3.24Å; V462-K464 VanDerWaalsContact C-N 3.35Å; V462-K464 PolarHBondContact O-N 3.47Å; V462-L465 PolarHBondContact O-N 2.93Å; V462-R466 HydrophobicContact CG1-CG 4.21Å; V462-R466 VanDerWaalsContact O-CG 3.31Å; V462-R466 WeakPolarHBondContact O-CG 3.5Å; V462-R466 PolarHBondContact O-N 2.61Å |
| 463 | V | 93.1 | Very high | 91.5 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 22% | 0.218 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 178.1 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | Y459 V460 E461 L465 R466 R467 | Y459-V463 HydrophobicContact CD1-CG2 3.87Å; Y459-V463 HydrophobicContact CE1-CG2 3.42Å; Y459-V463 VanDerWaalsContact CE1-CG2 3.42Å; Y459-V463 WeakPolarHBondContact O-CG2 3.42Å; Y459-V463 PolarHBondContact O-N 3.4Å; V460-V463 WeakPolarHBondContact O-CB 3.19Å; V460-V463 PolarHBondContact O-N 3.05Å; E461-V463 VanDerWaalsContact C-N 3.28Å; E461-V463 PolarHBondContact O-N 3.06Å; V463-L465 PolarHBondContact O-N 3.33Å; V463-R466 PolarHBondContact O-N 3.44Å; V463-R467 WeakPolarHBondContact O-CB 3.44Å; V463-R467 PolarHBondContact O-N 2.71Å |
| 464 | K | 92.7 | Very high | 91.9 | Very high | 70 Ų | 70 | 50 Ų | 50 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 174.2 | -68.6 | 176.6 | -162.1 | 159.1 | 0 | 112 | F253 V460 E461 V462 R467 N468 | F253-K464 HydrophobicContact CD1-CD 4.32Å; F253-K464 HydrophobicContact CD1-CG 3.75Å; F253-K464 HydrophobicContact CE1-CG 3.58Å; V460-K464 WeakPolarHBondContact O-CG 2.87Å; V460-K464 PolarHBondContact O-N 3.39Å; E461-K464 WeakPolarHBondContact O-CB 3.32Å; E461-K464 PolarHBondContact O-N 3.32Å; E461-K464 WeakPolarHBondContact OE2-CD 3.2Å; E461-K464 IonicContact OE2-NZ 2.66Å; E461-K464 PolarHBondContact OE2-NZ 3.16Å; V462-K464 VanDerWaalsContact C-N 3.35Å; V462-K464 PolarHBondContact O-N 3.47Å; K464-R467 WeakPolarHBondContact O-CB 3.46Å; K464-R467 PolarHBondContact O-N 3Å; K464-N468 VanDerWaalsContact O-CG 3.31Å; K464-N468 PolarHBondContact O-N 3.36Å |
| 465 | L | 94 | Very high | 91.9 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 8% | 0.084 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 178.6 | -68.1 | 165 | 0 | 0 | 0 | 111.7 | D438 L439 Y442 E461 V462 V463 N468 I469 | D438-L465 HydrophobicContact CB-CD2 3.85Å; L439-L465 HydrophobicContact CB-CB 4.34Å; L439-L465 HydrophobicContact CD1-CB 3.9Å; L439-L465 HydrophobicContact CD1-CD1 4.25Å; Y442-L465 HydrophobicContact CD1-CD1 3.65Å; Y442-L465 HydrophobicContact CD2-CD1 4.36Å; Y442-L465 HydrophobicContact CE1-CD1 4.47Å; Y442-L465 HydrophobicContact CG-CD1 3.59Å; E461-L465 WeakPolarHBondContact O-CG 3.43Å; E461-L465 PolarHBondContact O-N 3.13Å; V462-L465 PolarHBondContact O-N 2.93Å; V463-L465 PolarHBondContact O-N 3.33Å; L465-N468 WeakPolarHBondContact O-CB 3.34Å; L465-N468 PolarHBondContact O-N 3.15Å; L465-N468 VanDerWaalsContact O-N 3.16Å; L465-I469 WeakPolarHBondContact O-CG1 3.48Å; L465-I469 PolarHBondContact O-N 2.94Å |
| 466 | R | 94.2 | Very high | 91.7 | Very high | 34 Ų | 34 | 50 Ų | 50 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 173.4 | -68.6 | -176.7 | 76 | -168 | 0.2 | 111.8 | E290 D291 V462 V463 N468 I469 A470 | E290-R466 IonicContact OE2-CZ 3.18Å; E290-R466 IonicContact OE2-NH2 2.66Å; E290-R466 PolarHBondContact OE2-NH2 3.15Å; D291-R466 IonicContact OD1-NH2 3.39Å; D291-R466 IonicContact OD2-CZ 2.87Å; D291-R466 VanDerWaalsContact OD2-CZ 3.26Å; D291-R466 IonicContact OD2-NE 3.5Å; D291-R466 PolarHBondContact OD2-NE 3.3Å; D291-R466 IonicContact OD2-NH2 3.76Å; D291-R466 PolarHBondContact OD2-NH2 3.43Å; V462-R466 HydrophobicContact CG1-CG 4.21Å; V462-R466 VanDerWaalsContact O-CG 3.31Å; V462-R466 WeakPolarHBondContact O-CG 3.5Å; V462-R466 PolarHBondContact O-N 2.61Å; V463-R466 PolarHBondContact O-N 3.44Å; R466-N468 VanDerWaalsContact C-N 3.29Å; R466-N468 PolarHBondContact O-N 3.22Å; R466-I469 PolarHBondContact O-N 3.01Å; R466-A470 PolarHBondContact O-N 2.85Å |
| 467 | R | 93.1 | Very high | 90.9 | Very high | 126 Ų | 126 | 51.6 Ų | 51.6 | 48% | 0.475 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55.9 | -45.2 | 171.4 | 173.9 | -173.4 | 171.9 | -165.2 | -3.2 | 111 | F253 V463 K464 I469 A470 L471 | F253-R467 VanDerWaalsContact CD2-NH1 3.33Å; V463-R467 WeakPolarHBondContact O-CB 3.44Å; V463-R467 PolarHBondContact O-N 2.71Å; K464-R467 WeakPolarHBondContact O-CB 3.46Å; K464-R467 PolarHBondContact O-N 3Å; R467-I469 VanDerWaalsContact C-N 3.32Å; R467-I469 PolarHBondContact O-N 3.25Å; R467-A470 PolarHBondContact O-N 3.18Å; R467-L471 HydrophobicContact CG-CD1 4.07Å; R467-L471 HydrophobicContact CG-CG 4.44Å; R467-L471 WeakPolarHBondContact O-CG 3.38Å; R467-L471 PolarHBondContact O-N 3.18Å |
| 468 | N | 93.6 | Very high | 89.3 | Confident | 48 Ų | 48 | 50 Ų | 50 | 26% | 0.257 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -38.2 | 180 | -71.7 | -16.3 | 0 | 0 | 0 | 112.5 | K464 L465 R466 L471 A472 C478 | K464-N468 VanDerWaalsContact O-CG 3.31Å; K464-N468 PolarHBondContact O-N 3.36Å; L465-N468 WeakPolarHBondContact O-CB 3.34Å; L465-N468 PolarHBondContact O-N 3.15Å; L465-N468 VanDerWaalsContact O-N 3.16Å; R466-N468 VanDerWaalsContact C-N 3.29Å; R466-N468 PolarHBondContact O-N 3.22Å; N468-L471 PolarHBondContact O-N 3.26Å; N468-A472 VanDerWaalsContact O-CB 3.31Å; N468-A472 WeakPolarHBondContact O-CB 3.44Å; N468-A472 PolarHBondContact O-N 3.12Å; N468-C478 WeakPolarHBondContact CA-SG 3.49Å; N468-C478 HydrophobicContact CB-CB 4.19Å; N468-C478 PolarHBondContact O-SG 3.01Å; N468-C478 VanDerWaalsContact O-SG 3.32Å; N468-C478 PolarHBondContact OD1-SG 3.32Å |
| 469 | I | 94.1 | Very high | 87.3 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 174.4 | -66.4 | 166.6 | 0 | 0 | 0 | 110.9 | D291 C295 A435 V436 L439 L465 R466 R467 L471 A472 R473 | D291-I469 HydrophobicContact CB-CD1 4.45Å; D291-I469 HydrophobicContact CB-CG2 3.93Å; C295-I469 HydrophobicContact CB-CG2 3.57Å; A435-I469 HydrophobicContact CB-CG1 3.92Å; A435-I469 WeakPolarHBondContact O-CG1 3.37Å; V436-I469 HydrophobicContact CG2-CD1 4.35Å; V436-I469 HydrophobicContact CG2-CG1 4.27Å; V436-I469 HydrophobicContact CG2-CG2 4.32Å; L439-I469 HydrophobicContact CB-CD1 3.92Å; L439-I469 HydrophobicContact CD2-CD1 3.57Å; L439-I469 HydrophobicContact CG-CD1 4.36Å; L465-I469 WeakPolarHBondContact O-CG1 3.48Å; L465-I469 PolarHBondContact O-N 2.94Å; R466-I469 PolarHBondContact O-N 3.01Å; R467-I469 VanDerWaalsContact C-N 3.32Å; R467-I469 PolarHBondContact O-N 3.25Å; I469-L471 VanDerWaalsContact C-N 3.35Å; I469-L471 PolarHBondContact O-N 3.4Å; I469-A472 PolarHBondContact O-N 3.41Å; I469-R473 WeakPolarHBondContact O-CB 3.37Å; I469-R473 PolarHBondContact O-N 3.17Å |
| 470 | A | 93.3 | Very high | 84.5 | Confident | 35 Ų | 35 | 58.6 Ų | 58.6 | 29% | 0.289 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R466 R467 R473 L474 | R466-A470 PolarHBondContact O-N 2.85Å; R467-A470 PolarHBondContact O-N 3.18Å; A470-R473 WeakPolarHBondContact O-CB 3.45Å; A470-R473 PolarHBondContact O-N 3.27Å; A470-L474 WeakPolarHBondContact O-CG 3.44Å; A470-L474 PolarHBondContact O-N 3.16Å |
| 471 | L | 92.8 | Very high | 81.7 | Confident | 45 Ų | 45 | 71.1 Ų | 71.1 | 24% | 0.236 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 175.4 | -70.7 | 175.5 | 0 | 0 | 0 | 112.1 | R467 N468 I469 R473 L474 G475 V476 C478 | R467-L471 HydrophobicContact CG-CD1 4.07Å; R467-L471 HydrophobicContact CG-CG 4.44Å; R467-L471 WeakPolarHBondContact O-CG 3.38Å; R467-L471 PolarHBondContact O-N 3.18Å; N468-L471 PolarHBondContact O-N 3.26Å; I469-L471 VanDerWaalsContact C-N 3.35Å; I469-L471 PolarHBondContact O-N 3.4Å; L471-R473 VanDerWaalsContact C-N 3.29Å; L471-R473 PolarHBondContact O-N 3.41Å; L471-L474 CarbonylContact O-C 3.59Å; L471-L474 PolarHBondContact O-N 3.39Å; L471-G475 PolarHBondContact O-N 3.23Å; L471-V476 CarbonylContact C-O 3.49Å; L471-V476 HydrophobicContact CB-CB 4.25Å; L471-V476 HydrophobicContact CD2-CB 4.31Å; L471-V476 HydrophobicContact CD2-CG1 4.37Å; L471-V476 PolarHBondContact O-N 3.31Å; L471-C478 WeakPolarHBondContact CB-SG 3.46Å |
| 472 | A | 92.7 | Very high | 81.1 | Confident | 5 Ų | 5 | 71.6 Ų | 71.6 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R432 A435 N468 I469 L474 G475 | R432-A472 HydrophobicContact CG-CB 4.3Å; R432-A472 VanDerWaalsContact CG-O 3.3Å; R432-A472 WeakPolarHBondContact CG-O 3.44Å; A435-A472 HydrophobicContact CB-CB 3.9Å; N468-A472 VanDerWaalsContact O-CB 3.31Å; N468-A472 WeakPolarHBondContact O-CB 3.44Å; N468-A472 PolarHBondContact O-N 3.12Å; I469-A472 PolarHBondContact O-N 3.41Å; A472-L474 VanDerWaalsContact C-N 3.25Å; A472-L474 PolarHBondContact O-N 3.45Å; A472-G475 PolarHBondContact O-N 3.4Å |
| 473 | R | 91.4 | Very high | 80.5 | Confident | 105 Ų | 105 | 75.4 Ų | 75.4 | 40% | 0.396 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59 | -36.8 | 173.9 | -174.4 | 177.2 | 72.8 | -177.8 | 3.4 | 112.1 | E290 I469 A470 L471 G475 | E290-R473 PolarHBondContact O-NH1 3.28Å; I469-R473 WeakPolarHBondContact O-CB 3.37Å; I469-R473 PolarHBondContact O-N 3.17Å; A470-R473 WeakPolarHBondContact O-CB 3.45Å; A470-R473 PolarHBondContact O-N 3.27Å; L471-R473 VanDerWaalsContact C-N 3.29Å; L471-R473 PolarHBondContact O-N 3.41Å; R473-G475 VanDerWaalsContact C-N 3.3Å |
| 474 | L | 91 | Very high | 79.8 | Confident | 131 Ų | 131 | 77.6 Ų | 77.6 | 69% | 0.686 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -1.8 | 177.7 | -60.9 | 175.4 | 0 | 0 | 0 | 113.4 | A470 L471 A472 V476 | A470-L474 WeakPolarHBondContact O-CG 3.44Å; A470-L474 PolarHBondContact O-N 3.16Å; L471-L474 CarbonylContact O-C 3.59Å; L471-L474 PolarHBondContact O-N 3.39Å; A472-L474 VanDerWaalsContact C-N 3.25Å; A472-L474 PolarHBondContact O-N 3.45Å; L474-V476 VanDerWaalsContact C-N 3.33Å; L474-V476 HydrophobicContact CB-CG2 4.44Å |
| 475 | G | 85.6 | Confident | 79 | Confident | 38 Ų | 38 | 78 Ų | 78 | 39% | 0.392 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 11.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F428 L471 A472 R473 | F428-G475 VanDerWaalsContact CE2-CA 3.47Å; L471-G475 PolarHBondContact O-N 3.23Å; A472-G475 PolarHBondContact O-N 3.4Å; R473-G475 VanDerWaalsContact C-N 3.3Å |
| 476 | V | 84 | Confident | 78.1 | Confident | 76 Ų | 76 | 81.9 Ų | 81.9 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 129.7 | 172.4 | -175.1 | 0 | 0 | 0 | 0 | 108 | L471 L474 | L471-V476 CarbonylContact C-O 3.49Å; L471-V476 HydrophobicContact CB-CB 4.25Å; L471-V476 HydrophobicContact CD2-CB 4.31Å; L471-V476 HydrophobicContact CD2-CG1 4.37Å; L471-V476 PolarHBondContact O-N 3.31Å; L474-V476 VanDerWaalsContact C-N 3.33Å; L474-V476 HydrophobicContact CB-CG2 4.44Å |
| 477 | K | 71 | Confident | 77 | Confident | 152 Ų | 152 | 85.1 Ų | 85.1 | 66% | 0.661 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 128.3 | 174.3 | -72.2 | -175.3 | 176.3 | 179.9 | 0 | 109.1 | ||
| 478 | C | 56.1 | Low | 75.9 | Confident | 54 Ų | 54 | 82.1 Ų | 82.1 | 37% | 0.365 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -85.3 | 116.1 | 167.2 | -60.3 | 0 | 0 | 0 | 0 | 108.5 | N468 L471 | N468-C478 WeakPolarHBondContact CA-SG 3.49Å; N468-C478 HydrophobicContact CB-CB 4.19Å; N468-C478 PolarHBondContact O-SG 3.01Å; N468-C478 VanDerWaalsContact O-SG 3.32Å; N468-C478 PolarHBondContact OD1-SG 3.32Å; L471-C478 WeakPolarHBondContact CB-SG 3.46Å |
| 479 | G | 51 | Low | 74.5 | Confident | 65 Ų | 65 | 84.8 Ų | 84.8 | 67% | 0.67 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 118.7 | 110.4 | 171 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 480 | S | 34.7 | Very low | 72.9 | Confident | 121 Ų | 121 | 91.8 Ų | 91.8 | 85% | 0.846 | 53% | 0.527 | S | S | * | . | trans | 56.7 | 88.4 | 167.3 | 68 | 0 | 0 | 0 | 0 | 119 | ||||
| 481 | E | 31 | Very low | 71 | Confident | 274 Ų | 274 | 96.9 Ų | 96.9 | 100% | 1.28 | 55% | 0.549 | S | S | * | . | -100.7 | 0 | 117.9 | -82.4 | -170.2 | 156.9 | 0 | 0 | 108.2 |
Retrieved 481 of 481 residues in 191.6 ms
(Link to these results)