| 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 | 36.1 | Very low | 40.6 | Very low | 220 Ų | 220 | 159.4 Ų | 159.4 | 100% | 1.084 | 82% | 0.817 | S | S | * | * | 0 | 136.4 | 0 | -75.6 | 163.2 | 61.7 | 0 | 0 | 108.1 | |||||
| 2 | M | 39.3 | Very low | 40.7 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | 58.6 | 119.3 | 163.5 | -54.3 | -178.3 | -179.2 | 0 | 0 | 116.6 | ||||
| 3 | S | 41.8 | Very low | 40.5 | Very low | 110 Ų | 110 | 153.8 Ų | 153.8 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | cis | 91 | 139.5 | 31.9 | -161.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 4 | M | 43 | Very low | 40.4 | Very low | 170 Ų | 170 | 155.3 Ų | 155.3 | 84% | 0.837 | 80% | 0.802 | S | S | * | * | trans | 79.6 | 127.7 | 171.7 | -45.4 | -153.7 | -63.5 | 0 | 0 | 116.5 | ||||
| 5 | N | 40.6 | Very low | 41.1 | Very low | 155 Ų | 155 | 152.5 Ų | 152.5 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | cis | 78.9 | 148.2 | 36.2 | -167.5 | 31.6 | 0 | 0 | 0 | 114.3 | ||||
| 6 | S | 40.9 | Very low | 40.5 | Very low | 94 Ų | 94 | 149.6 Ų | 149.6 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | trans | 100.5 | 141.6 | 179 | 74.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 7 | K | 41.5 | Very low | 40.2 | Very low | 195 Ų | 195 | 150.2 Ų | 150.2 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | cis | -160 | 145.2 | -1.9 | -118.2 | 160.8 | -167.3 | 174.6 | 0 | 110.9 | ||||
| 8 | Q | 41.3 | Very low | 40.4 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -78.2 | 154.9 | 150.9 | -97.6 | -93.9 | 1.3 | 0 | 0 | 108.3 | H10 | Q8-H10 VanDerWaalsContact OE1-N 3.14Š| ||
| 9 | P | 51.5 | Low | 40 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | -153.6 | 144.2 | 86.7 | 37.6 | -17.4 | 0 | 0 | 0 | 118.3 | |||||
| 10 | H | 36.1 | Very low | 39.7 | Very low | 144 Ų | 144 | 149.7 Ų | 149.7 | 67% | 0.667 | 79% | 0.791 | S | S | * | * | 34.7 | 124.4 | 117.1 | -115.8 | -83.2 | 0 | 0 | 0 | 120.4 | Q8 | Q8-H10 VanDerWaalsContact OE1-N 3.14Š| |||
| 11 | F | 34.8 | Very low | 39.4 | Very low | 216 Ų | 216 | 149.1 Ų | 149.1 | 95% | 0.947 | 78% | 0.782 | S | S | * | * | -139.2 | 133.1 | 129.8 | -108.2 | -79.3 | 0 | 0 | 0 | 109.8 | |||||
| 12 | A | 41.2 | Very low | 39.1 | Very low | 66 Ų | 66 | 147.9 Ų | 147.9 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | trans | -149.9 | 142.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 13 | M | 38.6 | Very low | 38.7 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 89% | 0.892 | 76% | 0.76 | S | S | * | * | trans | -145 | 121.6 | 164.1 | -76.3 | -57.5 | -68.5 | 0 | 0 | 110.7 | ||||
| 14 | H | 39.4 | Very low | 38.1 | Very low | 174 Ų | 174 | 145.6 Ų | 145.6 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -88.1 | -170 | 163 | -122.4 | -118.6 | 0 | 0 | 0 | 108.4 | ||||
| 15 | P | 49.8 | Very low | 37.8 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | cis | -121.7 | -151.9 | 6.9 | 39.2 | -17.5 | 0 | 0 | 0 | 112.1 | ||||
| 16 | S | 31.8 | Very low | 37.5 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | cis | -156.2 | -175.4 | 10.5 | 51.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 17 | L | 35.3 | Very low | 37.2 | Very low | 161 Ų | 161 | 147 Ų | 147 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -108.6 | 169.8 | 172.6 | -67.3 | 160 | 0 | 0 | 0 | 110.2 | ||||
| 18 | P | 43.9 | Very low | 36.8 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | -143.9 | 167.1 | 78.7 | 36.2 | -16.6 | 0 | 0 | 0 | 117.4 | |||||
| 19 | E | 32.1 | Very low | 36.7 | Very low | 128 Ų | 128 | 140 Ų | 140 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | trans | -85.8 | 152.1 | 179.9 | -177.9 | -161.2 | 144.1 | 0 | 0 | 112.9 | K21 | E19-K21 WeakPolarHBondContact OE1-CE 3.36Å; E19-K21 WeakPolarHBondContact OE1-CG 3.17Å; E19-K21 IonicContact OE1-NZ 2.6Å; E19-K21 PolarHBondContact OE1-NZ 3.47Å | ||
| 20 | H | 34 | Very low | 36.1 | Very low | 190 Ų | 190 | 141 Ų | 141 | 88% | 0.88 | 75% | 0.752 | S | S | * | * | trans | -142.9 | 142.5 | 156.6 | -92 | -69.5 | 0 | 0 | 0 | 112.9 | ||||
| 21 | K | 34.7 | Very low | 36.2 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 60% | 0.596 | 75% | 0.754 | S | S | * | * | trans | -111.3 | 165.1 | -175.8 | -60.3 | -177.4 | 170 | 85.8 | 0 | 112.2 | E19 | E19-K21 WeakPolarHBondContact OE1-CE 3.36Å; E19-K21 WeakPolarHBondContact OE1-CG 3.17Å; E19-K21 IonicContact OE1-NZ 2.6Å; E19-K21 PolarHBondContact OE1-NZ 3.47Å | ||
| 22 | Y | 29 | Very low | 36.6 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | trans | 87.5 | 97.9 | 155.1 | -67.1 | -68.6 | 0 | 0 | 0 | 122.4 | ||||
| 23 | T | 30.2 | Very low | 36.8 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | 64.1 | 135 | 118.7 | 58.3 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 24 | T | 29.8 | Very low | 37.2 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | trans | 86.3 | 106 | 142.2 | -56.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 25 | L | 36.5 | Very low | 37.2 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | -157.2 | 140.9 | 99.6 | -103.6 | 180 | 0 | 0 | 0 | 113.4 | |||||
| 26 | H | 35 | Very low | 36.4 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -103 | 128.1 | 179.9 | 161.5 | -117.7 | 0 | 0 | 0 | 108.4 | ||||
| 27 | S | 33.8 | Very low | 36.7 | Very low | 114 Ų | 114 | 143 Ų | 143 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -158.1 | 131.2 | 166.7 | -162.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 28 | S | 34.4 | Very low | 36.5 | Very low | 97 Ų | 97 | 144.4 Ų | 144.4 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 65.4 | 72.2 | 158.2 | -148.5 | 0 | 0 | 0 | 0 | 119.8 | ||
| 29 | S | 38 | Very low | 36.2 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -158 | -28 | 142.1 | -88.7 | 0 | 0 | 0 | 0 | 115 | ||
| 30 | E | 39.2 | Very low | 36.4 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 64% | 0.64 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -89.9 | -6.7 | -178.2 | -66.7 | -140.3 | 101.4 | 0 | 0 | 115.3 | I32 | E30-I32 PolarHBondContact O-N 3.15Š|
| 31 | A | 38.8 | Very low | 36.6 | Very low | 85 Ų | 85 | 144.3 Ų | 144.3 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -73.6 | -22.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R33 | A31-R33 PolarHBondContact O-N 2.6Å; A31-R33 VanDerWaalsContact O-N 3.15Å |
| 32 | I | 43.8 | Very low | 36.7 | Very low | 158 Ų | 158 | 144.7 Ų | 144.7 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 43.9 | -178.4 | -38.7 | -178.6 | 0 | 0 | 0 | 111.4 | E30 | E30-I32 PolarHBondContact O-N 3.15Š|
| 33 | R | 45.4 | Very low | 37.3 | Very low | 193 Ų | 193 | 143.5 Ų | 143.5 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | -1.6 | 174.4 | -64.9 | -162.4 | -161.2 | -125.2 | 9.6 | 115.4 | A31 | A31-R33 PolarHBondContact O-N 2.6Å; A31-R33 VanDerWaalsContact O-N 3.15Å |
| 34 | R | 46.4 | Very low | 37.7 | Very low | 219 Ų | 219 | 142.5 Ų | 142.5 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -139.2 | 11.7 | -169.7 | -69.3 | -168.2 | 173 | 91.4 | -0.2 | 117.6 | ||
| 35 | A | 38.7 | Very low | 38.6 | Very low | 93 Ų | 93 | 143.6 Ų | 143.6 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -101.9 | -1.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 36 | C | 34.1 | Very low | 39.5 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 89% | 0.892 | 77% | 0.771 | S | S | * | * | trans | -130.7 | 75.6 | 175.1 | -68.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 37 | L | 38.3 | Very low | 39.9 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -86.7 | 116.4 | 163.6 | -78.4 | 170.3 | 0 | 0 | 0 | 109.3 | ||||
| 38 | Q | 29.9 | Very low | 40.8 | Very low | 190 Ų | 190 | 139.6 Ų | 139.6 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | trans | -165.7 | 114.3 | 143.9 | -113 | 162.4 | -2.5 | 0 | 0 | 111.2 | ||||
| 39 | T | 38.3 | Very low | 41.4 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | -76.3 | 140.2 | 159.6 | 44.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 40 | P | 35.9 | Very low | 42.1 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | -126.5 | 153.2 | 128.6 | 34.8 | -27.9 | 0 | 0 | 0 | 112.6 | |||||
| 41 | Q | 38.5 | Very low | 42.9 | Very low | 179 Ų | 179 | 138 Ų | 138 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | -62.5 | 135 | 165.3 | -72.5 | -87.6 | 0.7 | 0 | 0 | 110.2 | ||||
| 42 | L | 36.8 | Very low | 43.7 | Very low | 145 Ų | 145 | 140.8 Ų | 140.8 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | 164.3 | 138.9 | 127.2 | -87 | 165.6 | 0 | 0 | 0 | 112.9 | |||||
| 43 | Q | 41.4 | Very low | 44.6 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | 23.5 | 114.3 | 149.4 | -62.7 | 171.1 | -56.2 | 0 | 0 | 120.1 | ||||
| 44 | S | 38.4 | Very low | 45.3 | Very low | 96 Ų | 96 | 133.6 Ų | 133.6 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | 170.7 | 128.8 | 106.2 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | I46 | S44-I46 PolarHBondContact O-N 3Š| |||
| 45 | N | 48 | Very low | 46.2 | Very low | 141 Ų | 141 | 129 Ų | 129 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | -80.6 | 79.6 | 176.3 | -77.4 | -3.8 | 0 | 0 | 0 | 110.8 | F47 A48 | N45-F47 PolarHBondContact O-N 3.14Å; N45-F47 VanDerWaalsContact O-N 3.13Å; N45-A48 HydrophobicContact CB-CB 3.77Å; N45-A48 PolarHBondContact O-N 3.02Å | ||
| 46 | I | 56.2 | Low | 47.4 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 65% | 0.646 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -31.5 | 178.7 | -61.5 | 174.2 | 0 | 0 | 0 | 112 | S44 S49 | S44-I46 PolarHBondContact O-N 3Å; I46-S49 PolarHBondContact O-OG 3.34Å |
| 47 | F | 44.3 | Very low | 48.7 | Very low | 191 Ų | 191 | 129.9 Ų | 129.9 | 84% | 0.838 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -12.7 | 178.6 | -70.2 | -77.7 | 0 | 0 | 0 | 115.3 | N45 | N45-F47 PolarHBondContact O-N 3.14Å; N45-F47 VanDerWaalsContact O-N 3.13Å |
| 48 | A | 52.3 | Low | 49.4 | Very low | 49 Ų | 49 | 125 Ų | 125 | 41% | 0.405 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -80.7 | -32.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N45 L50 D51 E52 | N45-A48 HydrophobicContact CB-CB 3.77Å; N45-A48 PolarHBondContact O-N 3.02Å; A48-L50 VanDerWaalsContact C-N 3.27Å; A48-L50 PolarHBondContact O-N 3.31Å; A48-D51 PolarHBondContact O-N 3.13Å; A48-E52 PolarHBondContact O-N 2.77Å |
| 49 | S | 46.3 | Very low | 50.8 | Low | 68 Ų | 68 | 122.7 Ų | 122.7 | 48% | 0.476 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -66.4 | -26.7 | -176.9 | 60.5 | 0 | 0 | 0 | 0 | 113.7 | I46 T53 | I46-S49 PolarHBondContact O-OG 3.34Å; S49-T53 PolarHBondContact O-N 3.34Å; S49-T53 VanDerWaalsContact O-N 3.17Å; S49-T53 PolarHBondContact O-OG1 3.37Å |
| 50 | L | 53.6 | Low | 51.8 | Low | 119 Ų | 119 | 118.8 Ų | 118.8 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.1 | -38.4 | 179.5 | -152.9 | 87 | 0 | 0 | 0 | 112.2 | A48 T53 L54 | A48-L50 VanDerWaalsContact C-N 3.27Å; A48-L50 PolarHBondContact O-N 3.31Å; L50-T53 PolarHBondContact O-OG1 3.36Å; L50-L54 WeakPolarHBondContact O-CB 3.41Å; L50-L54 PolarHBondContact O-N 3.44Å; L50-L54 VanDerWaalsContact O-N 3.14Å |
| 51 | D | 55.8 | Low | 53 | Low | 122 Ų | 122 | 119.2 Ų | 119.2 | 65% | 0.652 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.1 | -39.4 | 176.5 | -105 | -30.8 | 0 | 0 | 0 | 110.9 | A48 L54 L55 | A48-D51 PolarHBondContact O-N 3.13Å; D51-L54 PolarHBondContact O-N 3.12Å; D51-L55 WeakPolarHBondContact O-CB 3.43Å; D51-L55 PolarHBondContact O-N 2.98Å |
| 52 | E | 55.8 | Low | 53.9 | Low | 144 Ų | 144 | 113.2 Ų | 113.2 | 67% | 0.673 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.9 | -40.1 | -179.9 | -164.2 | 172.7 | -154.6 | 0 | 0 | 112.4 | A48 L55 A56 | A48-E52 PolarHBondContact O-N 2.77Å; E52-L55 PolarHBondContact O-N 3.45Å; E52-A56 WeakPolarHBondContact O-CB 3.22Å; E52-A56 PolarHBondContact O-N 2.94Å |
| 53 | T | 61.3 | Low | 54.7 | Low | 93 Ų | 93 | 109 Ų | 109 | 57% | 0.571 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.8 | -32.1 | 173.5 | 36.5 | 0 | 0 | 0 | 0 | 113.2 | S49 L50 R57 | S49-T53 PolarHBondContact O-N 3.34Å; S49-T53 VanDerWaalsContact O-N 3.17Å; S49-T53 PolarHBondContact O-OG1 3.37Å; L50-T53 PolarHBondContact O-OG1 3.36Å; T53-R57 WeakPolarHBondContact O-CB 3.47Å; T53-R57 PolarHBondContact O-N 3.38Å; T53-R57 VanDerWaalsContact O-N 3.12Å |
| 54 | L | 60.3 | Low | 55.5 | Low | 108 Ų | 108 | 105.4 Ų | 105.4 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.8 | -41.7 | 171.4 | -97.9 | 160.1 | 0 | 0 | 0 | 112 | L50 D51 R57 A58 | L50-L54 WeakPolarHBondContact O-CB 3.41Å; L50-L54 PolarHBondContact O-N 3.44Å; L50-L54 VanDerWaalsContact O-N 3.14Å; D51-L54 PolarHBondContact O-N 3.12Å; L54-R57 PolarHBondContact O-N 3.14Å; L54-A58 WeakPolarHBondContact O-CB 3.5Å; L54-A58 PolarHBondContact O-N 3.43Å |
| 55 | L | 65.4 | Low | 56.1 | Low | 121 Ų | 121 | 106.8 Ų | 106.8 | 63% | 0.634 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.9 | -48.5 | 178.7 | -172.3 | 61.4 | 0 | 0 | 0 | 111.5 | D51 E52 R57 A58 E59 | D51-L55 WeakPolarHBondContact O-CB 3.43Å; D51-L55 PolarHBondContact O-N 2.98Å; E52-L55 PolarHBondContact O-N 3.45Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 3.17Å; L55-A58 PolarHBondContact O-N 3.43Å; L55-A58 VanDerWaalsContact O-N 3.15Å; L55-E59 PolarHBondContact O-N 3.41Å |
| 56 | A | 64.7 | Low | 56.3 | Low | 57 Ų | 57 | 104.8 Ų | 104.8 | 47% | 0.471 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.1 | -36.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E52 E59 A60 | E52-A56 WeakPolarHBondContact O-CB 3.22Å; E52-A56 PolarHBondContact O-N 2.94Å; A56-E59 PolarHBondContact O-N 3.38Å; A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 2.89Å |
| 57 | R | 60.4 | Low | 56 | Low | 188 Ų | 188 | 102.3 Ų | 102.3 | 71% | 0.709 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.1 | -31.6 | 176.6 | -166.2 | 173.4 | -168.9 | 154.3 | 3.5 | 112.7 | T53 L54 L55 L61 | T53-R57 WeakPolarHBondContact O-CB 3.47Å; T53-R57 PolarHBondContact O-N 3.38Å; T53-R57 VanDerWaalsContact O-N 3.12Å; L54-R57 PolarHBondContact O-N 3.14Å; L55-R57 VanDerWaalsContact C-N 3.3Å; L55-R57 PolarHBondContact O-N 3.17Å; R57-L61 WeakPolarHBondContact O-CG 3.33Å; R57-L61 PolarHBondContact O-N 3.15Å |
| 58 | A | 54.4 | Low | 56.4 | Low | 58 Ų | 58 | 98.9 Ų | 98.9 | 48% | 0.479 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.7 | -39.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | L54 L55 L61 A62 | L54-A58 WeakPolarHBondContact O-CB 3.5Å; L54-A58 PolarHBondContact O-N 3.43Å; L55-A58 PolarHBondContact O-N 3.43Å; L55-A58 VanDerWaalsContact O-N 3.15Å; A58-L61 PolarHBondContact O-N 3.01Å; A58-A62 PolarHBondContact O-N 3.36Å |
| 59 | E | 58.9 | Low | 56.1 | Low | 143 Ų | 143 | 101 Ų | 101 | 67% | 0.668 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.1 | -41.2 | 177.3 | -169.4 | 168.2 | -154.6 | 0 | 0 | 112.1 | L55 A56 L61 A62 A63 | L55-E59 PolarHBondContact O-N 3.41Å; A56-E59 PolarHBondContact O-N 3.38Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.13Å; E59-A62 WeakPolarHBondContact O-CB 3.47Å; E59-A62 PolarHBondContact O-N 3.45Å; E59-A62 VanDerWaalsContact O-N 3.13Å; E59-A63 PolarHBondContact O-N 3.25Å |
| 60 | A | 59.2 | Low | 56 | Low | 58 Ų | 58 | 104.9 Ų | 104.9 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.9 | -38.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A56 A63 V64 | A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 2.89Å; A60-A63 PolarHBondContact O-N 2.95Å; A60-V64 PolarHBondContact O-N 3.22Å |
| 61 | L | 61.1 | Low | 55.5 | Low | 128 Ų | 128 | 102 Ų | 102 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.7 | -33.8 | 175.6 | -72.8 | 171 | 0 | 0 | 0 | 112.4 | R57 A58 E59 | R57-L61 WeakPolarHBondContact O-CG 3.33Å; R57-L61 PolarHBondContact O-N 3.15Å; A58-L61 PolarHBondContact O-N 3.01Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.13Å |
| 62 | A | 56.7 | Low | 54.7 | Low | 53 Ų | 53 | 105.8 Ų | 105.8 | 44% | 0.438 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.2 | -35.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A58 E59 V64 D65 I66 | A58-A62 PolarHBondContact O-N 3.36Å; E59-A62 WeakPolarHBondContact O-CB 3.47Å; E59-A62 PolarHBondContact O-N 3.45Å; E59-A62 VanDerWaalsContact O-N 3.13Å; A62-V64 PolarHBondContact O-N 3.41Å; A62-D65 PolarHBondContact O-N 3.03Å; A62-I66 WeakPolarHBondContact O-CG1 3.39Å; A62-I66 PolarHBondContact O-N 3.5Å |
| 63 | A | 55 | Low | 53.8 | Low | 56 Ų | 56 | 105.1 Ų | 105.1 | 46% | 0.463 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.7 | -35.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E59 A60 I66 A67 | E59-A63 PolarHBondContact O-N 3.25Å; A60-A63 PolarHBondContact O-N 2.95Å; A63-I66 PolarHBondContact O-N 3.43Å; A63-A67 PolarHBondContact O-N 3.43Å |
| 64 | V | 57.3 | Low | 52.7 | Low | 94 Ų | 94 | 109.7 Ų | 109.7 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66.6 | -38.8 | 178.1 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | A60 A62 I66 A67 V68 | A60-V64 PolarHBondContact O-N 3.22Å; A62-V64 PolarHBondContact O-N 3.41Å; V64-I66 VanDerWaalsContact C-N 3.34Å; V64-I66 PolarHBondContact O-N 3.3Å; V64-A67 PolarHBondContact O-N 3.32Å; V64-V68 PolarHBondContact O-N 2.99Å |
| 65 | D | 50.4 | Low | 52.2 | Low | 125 Ų | 125 | 109.3 Ų | 109.3 | 67% | 0.668 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.9 | -32.8 | 178.9 | -156.5 | 44 | 0 | 0 | 0 | 112.1 | A62 S69 | A62-D65 PolarHBondContact O-N 3.03Å; D65-S69 PolarHBondContact O-OG 3.45Å |
| 66 | I | 53.1 | Low | 50.7 | Low | 99 Ų | 99 | 112.8 Ų | 112.8 | 51% | 0.508 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.8 | -36.3 | 173.6 | -63.6 | 166.8 | 0 | 0 | 0 | 111.4 | A62 A63 V64 S69 | A62-I66 WeakPolarHBondContact O-CG1 3.39Å; A62-I66 PolarHBondContact O-N 3.5Å; A63-I66 PolarHBondContact O-N 3.43Å; V64-I66 VanDerWaalsContact C-N 3.34Å; V64-I66 PolarHBondContact O-N 3.3Å; I66-S69 WeakPolarHBondContact CA-OG 3.4Å; I66-S69 PolarHBondContact O-N 2.94Å; I66-S69 PolarHBondContact O-OG 3.36Å; I66-S69 VanDerWaalsContact O-OG 3.07Å |
| 67 | A | 49.6 | Very low | 49.3 | Very low | 74 Ų | 74 | 119 Ų | 119 | 61% | 0.612 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.9 | -35.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A63 V64 S69 | A63-A67 PolarHBondContact O-N 3.43Å; V64-A67 PolarHBondContact O-N 3.32Å; A67-S69 VanDerWaalsContact C-N 3.26Å; A67-S69 PolarHBondContact O-N 3.48Å |
| 68 | V | 52.3 | Low | 49 | Very low | 119 Ų | 119 | 115.6 Ų | 115.6 | 72% | 0.721 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.8 | -26.9 | 176.6 | 171.3 | 0 | 0 | 0 | 0 | 112.2 | V64 | V64-V68 PolarHBondContact O-N 2.99Å |
| 69 | S | 46.8 | Very low | 47.9 | Very low | 93 Ų | 93 | 120.7 Ų | 120.7 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -92.4 | -5.3 | -173.4 | 44 | 0 | 0 | 0 | 0 | 115.5 | D65 I66 A67 | D65-S69 PolarHBondContact O-OG 3.45Å; I66-S69 WeakPolarHBondContact CA-OG 3.4Å; I66-S69 PolarHBondContact O-N 2.94Å; I66-S69 PolarHBondContact O-OG 3.36Å; I66-S69 VanDerWaalsContact O-OG 3.07Å; A67-S69 VanDerWaalsContact C-N 3.26Å; A67-S69 PolarHBondContact O-N 3.48Å |
| 70 | Q | 43 | Very low | 46.8 | Very low | 151 Ų | 151 | 117.7 Ų | 117.7 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 0.4 | 175.1 | -66.4 | -163.6 | -4.8 | 0 | 0 | 114.9 | K72 | Q70-K72 VanDerWaalsContact C-N 3.32Å; Q70-K72 PolarHBondContact O-N 3.37Å |
| 71 | G | 44.8 | Very low | 46 | Very low | 59 Ų | 59 | 120 Ų | 120 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | trans | -78.6 | 47.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 72 | K | 37.6 | Very low | 44.6 | Very low | 201 Ų | 201 | 123.2 Ų | 123.2 | 87% | 0.874 | 69% | 0.692 | S | S | * | * | trans | -168.4 | 95.9 | 160.4 | -107.8 | 140.8 | -170.6 | 164.8 | 0 | 113.7 | Q70 | Q70-K72 VanDerWaalsContact C-N 3.32Å; Q70-K72 PolarHBondContact O-N 3.37Å | ||
| 73 | T | 36.6 | Very low | 43.6 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | trans | -123.5 | 135.1 | 161.9 | 49.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 74 | H | 38.8 | Very low | 43 | Very low | 188 Ų | 188 | 131 Ų | 131 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | trans | -117.2 | 150.6 | 161.5 | -87.5 | -72 | 0 | 0 | 0 | 109 | ||||
| 75 | P | 50.1 | Low | 41.9 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | trans | -114.7 | 151.1 | -151.5 | 4.4 | 20.2 | 0 | 0 | 0 | 114.6 | ||||
| 76 | F | 33.8 | Very low | 41.1 | Very low | 195 Ų | 195 | 134 Ų | 134 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | 63 | 143.3 | 152.4 | -81.9 | -75.8 | 0 | 0 | 0 | 117.3 | ||||
| 77 | K | 35.2 | Very low | 40.3 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | cis | -151.8 | 161.5 | 20.2 | -105.8 | 165.7 | -172 | 179.3 | 0 | 110.5 | ||||
| 78 | P | 53.9 | Low | 39.6 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | -99.8 | 142.9 | 159.1 | 36.3 | -28.4 | 0 | 0 | 0 | 112.4 | ||||
| 79 | D | 32.5 | Very low | 40.1 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | trans | -178.7 | 174.1 | 134.4 | -134 | -47.4 | 0 | 0 | 0 | 112.8 | ||||
| 80 | A | 34.8 | Very low | 39.2 | Very low | 80 Ų | 80 | 139.8 Ų | 139.8 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | trans | 85.5 | 88 | 162.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 81 | T | 41.8 | Very low | 38.7 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | 45.1 | 147.3 | 107.3 | -47.5 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 82 | Y | 32.7 | Very low | 38.3 | Very low | 194 Ų | 194 | 141 Ų | 141 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | 89.2 | 138.9 | 173.1 | -56 | -66.1 | 0 | 0 | 0 | 115.5 | ||||
| 83 | H | 36.6 | Very low | 38.1 | Very low | 166 Ų | 166 | 137.4 Ų | 137.4 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | cis | -146.7 | 172.3 | -1.3 | -110 | -55.1 | 0 | 0 | 0 | 112.1 | ||||
| 84 | T | 40.6 | Very low | 38 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | -82.1 | 175.3 | -172.8 | 178.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 85 | M | 34.2 | Very low | 37.9 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | 100.6 | 153.6 | 159 | -61.6 | -59.2 | -169 | 0 | 0 | 120.2 | ||||
| 86 | S | 34.7 | Very low | 37.5 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -127.8 | -175.5 | -165 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 87 | T | 35.4 | Very low | 38.4 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 83.8 | 91.9 | 163.3 | 62.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 88 | V | 36.5 | Very low | 38.3 | Very low | 140 Ų | 140 | 130.4 Ų | 130.4 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | 49.2 | -179.1 | 122.1 | -46.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 89 | P | 61 | Low | 37.2 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | -131.8 | 175.4 | -113.2 | 36.5 | -13.4 | 0 | 0 | 0 | 116.6 | |||||
| 90 | C | 29.1 | Very low | 37.4 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | trans | -157.8 | 157.8 | 159.8 | 53.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 91 | S | 33.2 | Very low | 37.4 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -116.9 | 162.9 | -160.5 | -51.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 92 | S | 36.2 | Very low | 37 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -176.4 | 168.5 | 153 | -91 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 93 | T | 33.3 | Very low | 37 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | 179.6 | 131.4 | -26 | -83.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 94 | S | 34.3 | Very low | 36.9 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | cis | -165.9 | -153.6 | -9.4 | -172.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 95 | T | 35.5 | Very low | 36.8 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | 79.1 | 113.7 | 166.6 | 55.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 96 | V | 43 | Very low | 36.9 | Very low | 139 Ų | 139 | 139 Ų | 139 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | -91.8 | 177.7 | 165.9 | -77.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 97 | P | 52 | Low | 36.9 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | cis | -141.6 | 148.9 | 27.3 | 44.1 | -23.1 | 0 | 0 | 0 | 117.6 | ||||
| 98 | L | 33.7 | Very low | 37 | Very low | 162 Ų | 162 | 145 Ų | 145 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | 72.9 | 113.1 | 92.6 | -166.2 | 73.5 | 0 | 0 | 0 | 117.4 | |||||
| 99 | A | 30.8 | Very low | 36.9 | Very low | 95 Ų | 95 | 145 Ų | 145 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -174.7 | 147.5 | 130.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 100 | H | 37.1 | Very low | 35.7 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -102 | 154.7 | 167.7 | -72.7 | 33.6 | 0 | 0 | 0 | 109.9 | ||||
| 101 | H | 33.8 | Very low | 35.8 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | -176.6 | -177.9 | 120 | -106.9 | 1.2 | 0 | 0 | 0 | 117.1 | |||||
| 102 | H | 33.7 | Very low | 35.7 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -94.2 | 170.7 | -158.3 | -113.3 | 37.7 | 0 | 0 | 0 | 116.7 | ||||
| 103 | H | 33.2 | Very low | 35.6 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | 71.1 | 152.2 | 155.6 | -93.1 | 43.7 | 0 | 0 | 0 | 116.9 | ||||
| 104 | H | 34.1 | Very low | 35.7 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | cis | -167.3 | -168.6 | 29.6 | -142.4 | -14.5 | 0 | 0 | 0 | 112.7 | ||||
| 105 | H | 37.8 | Very low | 37.1 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -82 | 149.5 | -179.1 | -86.7 | -44.9 | 0 | 0 | 0 | 116.2 | ||||
| 106 | H | 36.5 | Very low | 37.9 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | -168.8 | 131.7 | 125.1 | -104.5 | 41.9 | 0 | 0 | 0 | 108.2 | |||||
| 107 | H | 34.4 | Very low | 37.5 | Very low | 155 Ų | 155 | 151.8 Ų | 151.8 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | 68.6 | 109.7 | 53.4 | -126.9 | -28.1 | 0 | 0 | 0 | 114.5 | |||||
| 108 | H | 37.4 | Very low | 36.9 | Very low | 193 Ų | 193 | 155 Ų | 155 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | trans | -133.8 | 153 | 160.5 | -105.7 | -69.1 | 0 | 0 | 0 | 109.2 | ||||
| 109 | H | 34.7 | Very low | 37.1 | Very low | 140 Ų | 140 | 154.4 Ų | 154.4 | 65% | 0.648 | 77% | 0.77 | S | S | * | * | trans | -151.9 | 155.3 | -166.9 | -168.3 | 52.4 | 0 | 0 | 0 | 111.7 | ||||
| 110 | H | 35.7 | Very low | 37.3 | Very low | 151 Ų | 151 | 156.2 Ų | 156.2 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 63.9 | 155.6 | 175.2 | -70.8 | -49.8 | 0 | 0 | 0 | 117.8 | ||||
| 111 | Q | 31.5 | Very low | 37.4 | Very low | 178 Ų | 178 | 154.8 Ų | 154.8 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | cis | -131.4 | 142.5 | 11.5 | -58.9 | 169.9 | 22.2 | 0 | 0 | 108.7 | ||||
| 112 | N | 30.2 | Very low | 37.4 | Very low | 135 Ų | 135 | 154 Ų | 154 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | 58.9 | 114.9 | 64 | -161.8 | 81.4 | 0 | 0 | 0 | 116.4 | |||||
| 113 | L | 34.3 | Very low | 37.3 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | -178.5 | 139.9 | 137.7 | -96.6 | 169.4 | 0 | 0 | 0 | 111.7 | ||||
| 114 | E | 35.4 | Very low | 37.5 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -152.9 | 174.6 | 179.4 | -93.8 | -86.8 | 107.1 | 0 | 0 | 105.7 | ||||
| 115 | P | 64.4 | Low | 38.3 | Very low | 94 Ų | 94 | 146 Ų | 146 | 61% | 0.61 | 77% | 0.767 | S | S | * | * | cis | -122.6 | -151 | -28.8 | 34.7 | -12.5 | 0 | 0 | 0 | 109.9 | ||||
| 116 | P | 52.4 | Low | 38.1 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | -149.9 | 157.8 | 69.2 | 38.6 | -16.7 | 0 | 0 | 0 | 119.5 | |||||
| 117 | D | 34.7 | Very low | 38.1 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 7.3 | 140.8 | 151.1 | -53.6 | -74 | 0 | 0 | 0 | 125 | ||||
| 118 | I | 39.2 | Very low | 38 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | -153.1 | 161.6 | 119.9 | 25.2 | 174.7 | 0 | 0 | 0 | 111.7 | |||||
| 119 | M | 38.8 | Very low | 37.7 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -128.8 | -172.8 | -144.3 | -165 | 163.6 | 173.2 | 0 | 0 | 114.9 | H121 | M119-H121 WeakPolarHBondContact CE-NE2 3.45Š| ||
| 120 | D | 33.5 | Very low | 37.5 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | trans | 85.4 | 115 | 176.7 | -66.5 | -52.6 | 0 | 0 | 0 | 116.9 | ||||
| 121 | H | 39.4 | Very low | 37.2 | Very low | 141 Ų | 141 | 139 Ų | 139 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | 64 | 126.8 | 55.7 | -50.8 | -51.6 | 0 | 0 | 0 | 110.8 | M119 | M119-H121 WeakPolarHBondContact CE-NE2 3.45Š| |||
| 122 | I | 34.2 | Very low | 37.2 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 90% | 0.903 | 78% | 0.775 | S | S | * | * | -158.8 | 156.5 | 52.2 | -69.5 | 150 | 0 | 0 | 0 | 106.4 | |||||
| 123 | G | 30.7 | Very low | 37.3 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | cis | 158.9 | 160.5 | 0.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 124 | S | 38.7 | Very low | 37.4 | Very low | 124 Ų | 124 | 134.2 Ų | 134.2 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -76 | 167 | 178.9 | -52.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 125 | P | 50.3 | Low | 37.2 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | -135.9 | 170 | 116.4 | 38.1 | -29 | 0 | 0 | 0 | 114.3 | |||||
| 126 | S | 33.3 | Very low | 35.7 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -129 | 169.6 | 177 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 127 | L | 37.6 | Very low | 35 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | trans | 78.3 | 127 | 169 | -46.3 | -178.8 | 0 | 0 | 0 | 118.6 | ||||
| 128 | T | 31.2 | Very low | 34.9 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 95% | 0.945 | 79% | 0.785 | S | S | * | * | -161 | 160.9 | 119.6 | 8.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 129 | L | 31.8 | Very low | 34.6 | Very low | 161 Ų | 161 | 124.8 Ų | 124.8 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -123.6 | 171 | -170.1 | 169.8 | 65.3 | 0 | 0 | 0 | 109.4 | ||||
| 130 | M | 30.4 | Very low | 34.4 | Very low | 170 Ų | 170 | 121.9 Ų | 121.9 | 84% | 0.837 | 79% | 0.787 | S | S | * | * | trans | 92.6 | 150.3 | 172.7 | -54.4 | -169.5 | 91.2 | 0 | 0 | 115.2 | ||||
| 131 | S | 28.8 | Very low | 34.2 | Very low | 94 Ų | 94 | 119.2 Ų | 119.2 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | cis | -171.9 | 165.4 | -25.3 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 132 | S | 31.8 | Very low | 33.9 | Very low | 105 Ų | 105 | 116.5 Ų | 116.5 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | trans | 86.5 | 109.9 | 148.5 | -52.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 133 | A | 33.2 | Very low | 33.7 | Very low | 91 Ų | 91 | 112.2 Ų | 112.2 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | 97.2 | 141.6 | 112.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 134 | H | 35.4 | Very low | 33.7 | Very low | 172 Ų | 172 | 112.9 Ų | 112.9 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | 65.6 | 144.3 | 165.1 | -90.6 | -110.3 | 0 | 0 | 0 | 118.3 | ||||
| 135 | D | 32.4 | Very low | 33.3 | Very low | 135 Ų | 135 | 111.1 Ų | 111.1 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | cis | -144.6 | 176.7 | -1.8 | -152.6 | -35.7 | 0 | 0 | 0 | 109.6 | ||||
| 136 | G | 31.6 | Very low | 32.3 | Very low | 58 Ų | 58 | 108.7 Ų | 108.7 | 60% | 0.598 | 81% | 0.807 | S | S | * | * | trans | -66.3 | -170.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 137 | T | 37.9 | Very low | 32.1 | Very low | 139 Ų | 139 | 108 Ų | 108 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | cis | -166 | 148.8 | 39.7 | 35.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 138 | G | 33.4 | Very low | 31.7 | Very low | 87 Ų | 87 | 104.4 Ų | 104.4 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | 62.4 | 139.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 139 | G | 33.4 | Very low | 31.7 | Very low | 78 Ų | 78 | 101.4 Ų | 101.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | cis | 149.2 | 127.6 | -0.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 140 | G | 32.5 | Very low | 31.6 | Very low | 88 Ų | 88 | 97.8 Ų | 97.8 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | 67.1 | 144.5 | 152.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 141 | G | 30.9 | Very low | 31.5 | Very low | 78 Ų | 78 | 93.1 Ų | 93.1 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | cis | 146 | 143.9 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 142 | G | 31.8 | Very low | 31.6 | Very low | 83 Ų | 83 | 96.6 Ų | 96.6 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | 79.9 | 138.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 143 | G | 31 | Very low | 31.8 | Very low | 87 Ų | 87 | 99.4 Ų | 99.4 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | cis | 99.9 | 137.4 | 24.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 144 | G | 29.8 | Very low | 31.5 | Very low | 78 Ų | 78 | 99.8 Ų | 99.8 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | cis | 174.3 | 177.3 | -1.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 145 | G | 31.2 | Very low | 31.2 | Very low | 87 Ų | 87 | 97.5 Ų | 97.5 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | 76.1 | 158.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 146 | G | 29.1 | Very low | 31 | Very low | 80 Ų | 80 | 96.2 Ų | 96.2 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | cis | 156.8 | 130.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 147 | G | 29.9 | Very low | 30.9 | Very low | 89 Ų | 89 | 99.1 Ų | 99.1 | 92% | 0.918 | 84% | 0.838 | S | S | * | * | trans | 76.9 | 155.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 148 | G | 28.9 | Very low | 30.5 | Very low | 79 Ų | 79 | 96.8 Ų | 96.8 | 81% | 0.814 | 83% | 0.832 | S | S | * | * | cis | 166.9 | 150.5 | -5.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 149 | G | 30.4 | Very low | 30.6 | Very low | 90 Ų | 90 | 101.3 Ų | 101.3 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | trans | 80.7 | 144.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 150 | G | 29.3 | Very low | 31.6 | Very low | 85 Ų | 85 | 102.5 Ų | 102.5 | 88% | 0.876 | 82% | 0.823 | S | S | * | * | cis | 143 | 122.4 | -0.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 151 | G | 28.4 | Very low | 31.6 | Very low | 73 Ų | 73 | 106.2 Ų | 106.2 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | 169.8 | 70.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 152 | L | 32.1 | Very low | 31.6 | Very low | 167 Ų | 167 | 107.6 Ų | 107.6 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | 16.7 | 121.5 | 138.4 | -41.3 | 173.4 | 0 | 0 | 0 | 120.2 | ||||
| 153 | I | 34.5 | Very low | 31.7 | Very low | 163 Ų | 163 | 112 Ų | 112 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | 173 | 119.4 | 125.1 | 48.2 | 166.7 | 0 | 0 | 0 | 109.3 | |||||
| 154 | S | 28 | Very low | 32 | Very low | 99 Ų | 99 | 114.7 Ų | 114.7 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | 78.3 | 116.5 | 86.4 | -61.6 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 155 | T | 28.7 | Very low | 32.2 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | 70.5 | 118.8 | 137.3 | 58.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 156 | S | 28 | Very low | 32.4 | Very low | 107 Ų | 107 | 118.9 Ų | 118.9 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | 70.2 | 115.8 | 126.4 | 69.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 157 | S | 28.8 | Very low | 32.7 | Very low | 120 Ų | 120 | 124.1 Ų | 124.1 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | 80.3 | 147.5 | 122.1 | -151.7 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 158 | A | 30.1 | Very low | 32.9 | Very low | 89 Ų | 89 | 122.8 Ų | 122.8 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | 76.5 | 136.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 159 | H | 36.3 | Very low | 33.2 | Very low | 183 Ų | 183 | 127.1 Ų | 127.1 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -81.6 | -167 | 164.6 | -49.7 | -30.5 | 0 | 0 | 0 | 109.9 | ||||
| 160 | P | 54.1 | Low | 33.6 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | cis | -144 | -171.7 | -0.5 | 22.8 | 6.4 | 0 | 0 | 0 | 117.1 | ||||
| 161 | H | 32.8 | Very low | 33.8 | Very low | 167 Ų | 167 | 131 Ų | 131 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 89.4 | 114.7 | 152.7 | -65.9 | -62.8 | 0 | 0 | 0 | 123.7 | ||||
| 162 | S | 30.8 | Very low | 34.3 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 50.8 | 125.7 | 135.8 | 63.7 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 163 | H | 33.8 | Very low | 34.4 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 82% | 0.815 | 77% | 0.771 | S | S | * | * | -171.2 | -179.5 | 91.1 | -150.1 | -105.9 | 0 | 0 | 0 | 112.2 | |||||
| 164 | M | 37 | Very low | 34.4 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 71% | 0.709 | 76% | 0.763 | S | S | * | * | trans | -68.3 | 155.8 | -169.8 | -60.4 | -151.1 | 74.9 | 0 | 0 | 117.1 | ||||
| 165 | H | 34.4 | Very low | 34.9 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | 177.8 | 153.2 | 109.1 | -102.3 | -84.4 | 0 | 0 | 0 | 113.8 | |||||
| 166 | G | 34.5 | Very low | 35.1 | Very low | 69 Ų | 69 | 133.8 Ų | 133.8 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 82.4 | 84.3 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | G168 | G166-G168 VanDerWaalsContact C-N 3.29Å; G166-G168 PolarHBondContact O-N 3.09Å | ||
| 167 | L | 34.8 | Very low | 35.5 | Very low | 190 Ų | 190 | 137.5 Ų | 137.5 | 100% | 0.995 | 78% | 0.775 | S | S | * | * | trans | -74.9 | 82.2 | 159.8 | -87.7 | 169.6 | 0 | 0 | 0 | 110.8 | ||||
| 168 | G | 34.6 | Very low | 35.9 | Very low | 61 Ų | 61 | 138.5 Ų | 138.5 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | trans | -79.9 | 129.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G166 | G166-G168 VanDerWaalsContact C-N 3.29Å; G166-G168 PolarHBondContact O-N 3.09Å | ||
| 169 | H | 36.4 | Very low | 36 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | trans | 38.7 | 86.4 | 142.7 | -163.6 | -96.1 | 0 | 0 | 0 | 117.8 | S171 | H169-S171 PolarHBondContact O-N 3.18Š| ||
| 170 | L | 37.4 | Very low | 35.8 | Very low | 173 Ų | 173 | 135.8 Ų | 135.8 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | trans | -75.2 | 93.8 | 168.6 | -138.7 | 78.5 | 0 | 0 | 0 | 110.2 | ||||
| 171 | S | 34.8 | Very low | 34.7 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | trans | -63.2 | 133.7 | 171.2 | 42.3 | 0 | 0 | 0 | 0 | 110.8 | H169 Q173 | H169-S171 PolarHBondContact O-N 3.18Å; S171-Q173 PolarHBondContact O-N 3.01Å | ||
| 172 | H | 38 | Very low | 34.8 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -67.2 | 96.2 | 169.2 | -96.9 | -92.1 | 0 | 0 | 0 | 109.7 | A174 | H172-A174 PolarHBondContact O-N 3.43Š| ||
| 173 | Q | 34.1 | Very low | 34.9 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 66% | 0.659 | 78% | 0.784 | S | S | * | * | trans | -78.9 | 96.5 | 164.9 | -170.1 | 61.4 | 61.4 | 0 | 0 | 109 | S171 M175 | S171-Q173 PolarHBondContact O-N 3.01Å; Q173-M175 HydrophobicContact CB-CE 4.48Å; Q173-M175 HydrophobicContact CG-CE 3.52Å; Q173-M175 HydrophobicContact CG-SD 3.81Å; Q173-M175 PolarHBondContact O-N 2.88Å | ||
| 174 | A | 35 | Very low | 34.8 | Very low | 80 Ų | 80 | 140.6 Ų | 140.6 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | trans | -67.5 | 119.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | H172 S176 | H172-A174 PolarHBondContact O-N 3.43Å; A174-S176 PolarHBondContact O-N 2.96Å | ||
| 175 | M | 37.6 | Very low | 34.3 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -87.3 | 96.5 | 170.2 | -66 | -57.5 | -174.9 | 0 | 0 | 108.4 | Q173 M177 | Q173-M175 HydrophobicContact CB-CE 4.48Å; Q173-M175 HydrophobicContact CG-CE 3.52Å; Q173-M175 HydrophobicContact CG-SD 3.81Å; Q173-M175 PolarHBondContact O-N 2.88Å; M175-M177 PolarHBondContact O-N 3.26Å | ||
| 176 | S | 32.8 | Very low | 34.2 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -76.7 | 110.7 | 166.5 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | A174 | A174-S176 PolarHBondContact O-N 2.96Š| ||
| 177 | M | 37 | Very low | 34.1 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | -91.8 | 105.6 | 169.7 | -73.9 | -165.5 | 172.8 | 0 | 0 | 109.2 | M175 | M175-M177 PolarHBondContact O-N 3.26Š| ||
| 178 | N | 37.9 | Very low | 34.5 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | -136.7 | 99.2 | 166.8 | -179.8 | 76.2 | 0 | 0 | 0 | 108.6 | ||||
| 179 | S | 32.6 | Very low | 34.4 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -136.6 | 105.9 | 174.8 | -65.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 180 | S | 31.4 | Very low | 34.3 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -74.1 | 127.4 | 171.2 | 47.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 181 | L | 30.6 | Very low | 34.3 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | -78.2 | 131.3 | 163.9 | -89.2 | 89.3 | 0 | 0 | 0 | 110.1 | ||||
| 182 | T | 34.6 | Very low | 34 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | trans | -118 | 150.2 | 169 | 45.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 183 | H | 33.7 | Very low | 33.7 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -118 | 163.5 | -167.1 | -148.5 | -101.3 | 0 | 0 | 0 | 111.9 | ||||
| 184 | H | 31.6 | Very low | 33.7 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | 87.9 | 130.2 | 162.8 | -75.9 | -71.5 | 0 | 0 | 0 | 124 | ||||
| 185 | G | 26.2 | Very low | 33.8 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | 121.6 | 136.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 186 | L | 32.4 | Very low | 33.5 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | cis | -158.6 | 172.3 | -11.8 | -141.2 | 90.2 | 0 | 0 | 0 | 109 | ||||
| 187 | L | 33.6 | Very low | 33.4 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -78.9 | 173.4 | -177.1 | -62.3 | 161.3 | 0 | 0 | 0 | 114.1 | ||||
| 188 | P | 42.8 | Very low | 33.9 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | -154.3 | 144.7 | 89.6 | 37.7 | -17.9 | 0 | 0 | 0 | 119.5 | |||||
| 189 | G | 31.3 | Very low | 33.8 | Very low | 65 Ų | 65 | 125.9 Ų | 125.9 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | 79 | 152.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 190 | H | 34 | Very low | 33.9 | Very low | 176 Ų | 176 | 129 Ų | 129 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | cis | -157.5 | 150.4 | -1.6 | -112.5 | 83.3 | 0 | 0 | 0 | 111.8 | ||||
| 191 | H | 38 | Very low | 34.3 | Very low | 184 Ų | 184 | 130.8 Ų | 130.8 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | trans | 29.3 | 131.3 | 161.6 | -70.9 | -44.2 | 0 | 0 | 0 | 125.3 | ||||
| 192 | G | 29.8 | Very low | 34.8 | Very low | 80 Ų | 80 | 129.7 Ų | 129.7 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | 134.7 | 132.9 | 118.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 193 | G | 30.8 | Very low | 35.2 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | 108.4 | 92.4 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 194 | S | 33.9 | Very low | 35.2 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -57.1 | 132.6 | 162.7 | 173.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 195 | Q | 36.9 | Very low | 35.8 | Very low | 189 Ų | 189 | 123.9 Ų | 123.9 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | 167.3 | 154.4 | 120.2 | -90.2 | -170.1 | 96.3 | 0 | 0 | 113.8 | |||||
| 196 | G | 31.5 | Very low | 36.8 | Very low | 84 Ų | 84 | 125.8 Ų | 125.8 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | trans | -75.4 | 171.3 | -162.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 197 | G | 32.1 | Very low | 37.2 | Very low | 71 Ų | 71 | 122.8 Ų | 122.8 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 169.3 | 127.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 198 | P | 45.9 | Very low | 38.1 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -97.1 | 147.2 | -176.4 | 36.3 | -33.2 | 0 | 0 | 0 | 113.8 | ||||
| 199 | G | 35.9 | Very low | 38 | Very low | 72 Ų | 72 | 121.8 Ų | 121.8 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 77.1 | 142.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 200 | L | 35.4 | Very low | 38.9 | Very low | 179 Ų | 179 | 123.9 Ų | 123.9 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | cis | -133.2 | 134.3 | 27.9 | -66 | 161.8 | 0 | 0 | 0 | 110.9 | N202 | L200-N202 PolarHBondContact O-N 3.07Š| ||
| 201 | T | 38.9 | Very low | 39.6 | Very low | 139 Ų | 139 | 120.8 Ų | 120.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -73.3 | 111.3 | 173.6 | 48.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 202 | N | 41.1 | Very low | 40.3 | Very low | 152 Ų | 152 | 118.9 Ų | 118.9 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -61.2 | 130.9 | 164.5 | -149.2 | 21.3 | 0 | 0 | 0 | 108 | L200 G204 | L200-N202 PolarHBondContact O-N 3.07Å; N202-G204 PolarHBondContact O-N 2.92Å | ||
| 203 | P | 43 | Very low | 42.3 | Very low | 123 Ų | 123 | 116.1 Ų | 116.1 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | trans | -71.7 | 92.6 | -177.2 | 28 | -33.3 | 0 | 0 | 0 | 110 | ||||
| 204 | G | 35.3 | Very low | 44.6 | Very low | 66 Ų | 66 | 116 Ų | 116 | 68% | 0.68 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 140 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N202 | N202-G204 PolarHBondContact O-N 2.92Š|
| 205 | L | 43.1 | Very low | 47 | Very low | 165 Ų | 165 | 114.1 Ų | 114.1 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 130.7 | 168.5 | -159.1 | 73.8 | 0 | 0 | 0 | 109.3 | S207 | L205-S207 PolarHBondContact O-N 3.32Å; L205-S207 VanDerWaalsContact O-N 3.13Å |
| 206 | P | 46.9 | Very low | 49.4 | Very low | 106 Ų | 106 | 114.2 Ų | 114.2 | 69% | 0.688 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 120.2 | -178 | 25.6 | -33.1 | 0 | 0 | 0 | 109.7 | I208 | P206-I208 PolarHBondContact O-N 3.22Š|
| 207 | S | 42 | Very low | 52.2 | Low | 113 Ų | 113 | 114.8 Ų | 114.8 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | trans | -59.5 | 109.5 | 166.7 | -68.8 | 0 | 0 | 0 | 0 | 108.4 | L205 N209 | L205-S207 PolarHBondContact O-N 3.32Å; L205-S207 VanDerWaalsContact O-N 3.13Å; S207-N209 PolarHBondContact O-N 3.06Å | ||
| 208 | I | 51.3 | Low | 55.1 | Low | 126 Ų | 126 | 111.6 Ų | 111.6 | 65% | 0.646 | 66% | 0.656 | S | S | * | * | trans | -73.4 | 117.3 | 175.2 | -56.5 | 179.4 | 0 | 0 | 0 | 107 | P206 D210 | P206-I208 PolarHBondContact O-N 3.22Å; I208-D210 VanDerWaalsContact C-N 3.35Å; I208-D210 PolarHBondContact O-N 3.29Å | ||
| 209 | N | 40.7 | Very low | 57.4 | Low | 140 Ų | 140 | 110.2 Ų | 110.2 | 75% | 0.749 | 64% | 0.638 | S | S | * | * | trans | -68.2 | 93.7 | 171 | -77.1 | -18.1 | 0 | 0 | 0 | 108.9 | S207 S211 | S207-N209 PolarHBondContact O-N 3.06Å; N209-S211 PolarHBondContact O-N 3.37Å; N209-S211 VanDerWaalsContact O-N 3.11Å | ||
| 210 | D | 50 | Low | 60.1 | Low | 110 Ų | 110 | 109.6 Ų | 109.6 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 10.1 | -169.5 | -139.2 | -18.1 | 0 | 0 | 0 | 114.5 | I208 I273 | I208-D210 VanDerWaalsContact C-N 3.35Å; I208-D210 PolarHBondContact O-N 3.29Å; D210-I273 VanDerWaalsContact OD1-CG2 3.26Å; D210-I273 WeakPolarHBondContact OD1-CG2 3.48Å |
| 211 | S | 50 | Low | 63.1 | Low | 110 Ų | 110 | 101.8 Ų | 101.8 | 77% | 0.769 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | -17.1 | -175.8 | -70.3 | 0 | 0 | 0 | 0 | 115.5 | N209 | N209-S211 PolarHBondContact O-N 3.37Å; N209-S211 VanDerWaalsContact O-N 3.11Å |
| 212 | D | 52.5 | Low | 65.8 | Low | 145 Ų | 145 | 95.3 Ų | 95.3 | 78% | 0.775 | 55% | 0.545 | S | S | * | . | trans | -127.8 | 36.9 | -169.2 | -70.5 | -65.6 | 0 | 0 | 0 | 113.7 | D214 | D212-D214 PolarHBondContact O-N 3.29Å; D212-D214 VanDerWaalsContact O-N 3.1Å | ||
| 213 | T | 70.2 | Confident | 68.5 | Low | 21 Ų | 21 | 93.6 Ų | 93.6 | 13% | 0.129 | 53% | 0.532 | C | S | . | . | trans | -75 | 99.1 | 167.1 | -60 | 0 | 0 | 0 | 0 | 109.5 | L218 K276 | T213-L218 HydrophobicContact CG2-CD1 4Å; T213-L218 HydrophobicContact CG2-CD2 4.22Å; T213-L218 HydrophobicContact CG2-CG 3.71Å; T213-K276 HydrophobicContact CG2-CD 4.29Å | ||
| 214 | D | 80.8 | Confident | 71 | Confident | 79 Ų | 79 | 93 Ų | 93 | 42% | 0.422 | 51% | 0.514 | S | S | . | . | trans | -49.9 | 126.9 | 176.7 | -179.8 | -7.6 | 0 | 0 | 0 | 110.5 | D212 R216 E217 L218 | D212-D214 PolarHBondContact O-N 3.29Å; D212-D214 VanDerWaalsContact O-N 3.1Å; D214-R216 PolarHBondContact O-N 2.97Å; D214-R216 VanDerWaalsContact O-N 3.1Å; D214-R216 WeakPolarHBondContact OD1-CB 3.28Å; D214-R216 WeakPolarHBondContact OD1-CG 3.48Å; D214-R216 PolarHBondContact OD1-N 3.29Å; D214-E217 HydrophobicContact CB-CB 4.33Å; D214-E217 WeakPolarHBondContact O-CA 3.33Å; D214-E217 VanDerWaalsContact O-CB 3.32Å; D214-E217 WeakPolarHBondContact O-CB 3.42Å; D214-E217 PolarHBondContact O-N 2.96Å; D214-L218 PolarHBondContact O-N 3Å | ||
| 215 | P | 83.6 | Confident | 73.9 | Confident | 75 Ų | 75 | 89.9 Ų | 89.9 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -44.4 | -39.2 | 170.6 | -31.5 | 36.4 | 0 | 0 | 0 | 114.1 | E217 L218 E219 | P215-E217 VanDerWaalsContact C-N 3.27Å; P215-E217 PolarHBondContact O-N 3.36Å; P215-L218 WeakPolarHBondContact O-CB 3.46Å; P215-L218 PolarHBondContact O-N 3.41Å; P215-E219 WeakPolarHBondContact O-CG 3.39Å; P215-E219 PolarHBondContact O-N 3.32Å |
| 216 | R | 86.6 | Confident | 76.5 | Confident | 190 Ų | 190 | 86 Ų | 86 | 72% | 0.717 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -62.4 | -33.3 | 177.5 | -61.9 | 172.9 | -179.7 | -105.8 | 0.2 | 112.8 | D214 E219 A220 | D214-R216 PolarHBondContact O-N 2.97Å; D214-R216 VanDerWaalsContact O-N 3.1Å; D214-R216 WeakPolarHBondContact OD1-CB 3.28Å; D214-R216 WeakPolarHBondContact OD1-CG 3.48Å; D214-R216 PolarHBondContact OD1-N 3.29Å; R216-E219 PolarHBondContact O-N 3.01Å; R216-A220 WeakPolarHBondContact O-CB 3.26Å; R216-A220 PolarHBondContact O-N 3.46Å |
| 217 | E | 90.8 | Very high | 78.9 | Confident | 96 Ų | 96 | 87 Ų | 87 | 45% | 0.449 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -73.6 | -35.9 | 177.6 | -153.4 | -140.9 | 146.7 | 0 | 0 | 111.2 | D214 P215 F221 K276 | D214-E217 HydrophobicContact CB-CB 4.33Å; D214-E217 WeakPolarHBondContact O-CA 3.33Å; D214-E217 VanDerWaalsContact O-CB 3.32Å; D214-E217 WeakPolarHBondContact O-CB 3.42Å; D214-E217 PolarHBondContact O-N 2.96Å; P215-E217 VanDerWaalsContact C-N 3.27Å; P215-E217 PolarHBondContact O-N 3.36Å; E217-F221 VanDerWaalsContact O-CB 3.26Å; E217-F221 WeakPolarHBondContact O-CB 3.28Å; E217-F221 PolarHBondContact O-N 3.01Å; E217-K276 IonicContact OE1-NZ 3.83Å; E217-K276 PolarHBondContact OE1-NZ 3.12Å; E217-K276 IonicContact OE2-NZ 3.29Å; E217-K276 PolarHBondContact OE2-NZ 3.48Å |
| 218 | L | 92.6 | Very high | 81.4 | Confident | 5 Ų | 5 | 84.3 Ų | 84.3 | 3% | 0.026 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 171.1 | -78.7 | 165.9 | 0 | 0 | 0 | 112.3 | T213 D214 P215 F221 A222 M272 I273 K276 | T213-L218 HydrophobicContact CG2-CD1 4Å; T213-L218 HydrophobicContact CG2-CD2 4.22Å; T213-L218 HydrophobicContact CG2-CG 3.71Å; D214-L218 PolarHBondContact O-N 3Å; P215-L218 WeakPolarHBondContact O-CB 3.46Å; P215-L218 PolarHBondContact O-N 3.41Å; L218-F221 PolarHBondContact O-N 3.46Å; L218-A222 VanDerWaalsContact O-CB 3.31Å; L218-A222 WeakPolarHBondContact O-CB 3.43Å; L218-A222 PolarHBondContact O-N 3.14Å; L218-M272 HydrophobicContact CD1-CB 4.16Å; L218-M272 HydrophobicContact CD2-CB 4.15Å; L218-I273 HydrophobicContact CD1-CG1 4.07Å; L218-K276 HydrophobicContact CD2-CB 4.12Å; L218-K276 HydrophobicContact CD2-CD 3.86Å; L218-K276 HydrophobicContact CD2-CG 4.24Å |
| 219 | E | 94 | Very high | 83.5 | Confident | 102 Ų | 102 | 79 Ų | 79 | 48% | 0.477 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.4 | -54.7 | 173.1 | -67.8 | -177.5 | 167.7 | 0 | 0 | 111 | P215 R216 F221 A222 E223 L265 | P215-E219 WeakPolarHBondContact O-CG 3.39Å; P215-E219 PolarHBondContact O-N 3.32Å; R216-E219 PolarHBondContact O-N 3.01Å; E219-F221 VanDerWaalsContact C-N 3.3Å; E219-F221 PolarHBondContact O-N 3.48Å; E219-A222 PolarHBondContact O-N 3.08Å; E219-E223 WeakPolarHBondContact O-CG 3.39Å; E219-E223 PolarHBondContact O-N 3.24Å; E219-L265 HydrophobicContact CB-CD1 4.31Å; E219-L265 HydrophobicContact CG-CD1 3.75Å; E219-L265 HydrophobicContact CG-CD2 4.26Å |
| 220 | A | 94.4 | Very high | 86 | Confident | 59 Ų | 59 | 77.4 Ų | 77.4 | 49% | 0.488 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.9 | -40.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R216 R224 | R216-A220 WeakPolarHBondContact O-CB 3.26Å; R216-A220 PolarHBondContact O-N 3.46Å; A220-R224 VanDerWaalsContact O-CB 3.25Å; A220-R224 WeakPolarHBondContact O-CB 3.42Å; A220-R224 PolarHBondContact O-N 3.09Å |
| 221 | F | 96.8 | Very high | 88.1 | Confident | 16 Ų | 16 | 80.1 Ų | 80.1 | 7% | 0.07 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.8 | -48.2 | 175.2 | 178.2 | -92.6 | 0 | 0 | 0 | 112.2 | E217 L218 E219 E223 R224 F225 F262 K276 L279 Q280 | E217-F221 VanDerWaalsContact O-CB 3.26Å; E217-F221 WeakPolarHBondContact O-CB 3.28Å; E217-F221 PolarHBondContact O-N 3.01Å; L218-F221 PolarHBondContact O-N 3.46Å; E219-F221 VanDerWaalsContact C-N 3.3Å; E219-F221 PolarHBondContact O-N 3.48Å; F221-E223 VanDerWaalsContact C-N 3.3Å; F221-E223 PolarHBondContact O-N 2.88Å; F221-R224 PolarHBondContact O-N 3.23Å; F221-F225 HydrophobicContact CE1-CB 4.24Å; F221-F225 HydrophobicContact CE1-CD2 4.47Å; F221-F225 HydrophobicContact CZ-CB 4.43Å; F221-F225 HydrophobicContact CZ-CD2 4.27Å; F221-F225 WeakPolarHBondContact O-CB 3.06Å; F221-F225 PolarHBondContact O-N 3.11Å; F221-F262 AromaticContact CD1-CE1 3.73Å; F221-F262 HydrophobicContact CD1-CE1 3.73Å; F221-F262 AromaticContact CD1-CZ 3.62Å; F221-F262 HydrophobicContact CD1-CZ 3.62Å; F221-F262 AromaticContact CE1-CE1 3.62Å; F221-F262 HydrophobicContact CE1-CE1 3.62Å; F221-F262 AromaticContact CE1-CZ 3.55Å; F221-F262 HydrophobicContact CE1-CZ 3.55Å; F221-K276 HydrophobicContact CD1-CG 4.03Å; F221-K276 HydrophobicContact CD2-CG 4.45Å; F221-K276 HydrophobicContact CE1-CG 4.21Å; F221-K276 HydrophobicContact CG-CG 4.17Å; F221-K276 HydrophobicContact CZ-CG 4.5Å; F221-L279 HydrophobicContact CE1-CB 4.15Å; F221-L279 HydrophobicContact CZ-CB 4.16Å; F221-Q280 HydrophobicContact CE2-CB 3.7Å; F221-Q280 HydrophobicContact CE2-CG 4.12Å; F221-Q280 HydrophobicContact CZ-CB 3.83Å |
| 222 | A | 96.8 | Very high | 90 | Very high | 2 Ų | 2 | 75.9 Ų | 75.9 | 2% | 0.017 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.4 | -38.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L218 E219 K226 F262 L265 M272 | L218-A222 VanDerWaalsContact O-CB 3.31Å; L218-A222 WeakPolarHBondContact O-CB 3.43Å; L218-A222 PolarHBondContact O-N 3.14Å; E219-A222 PolarHBondContact O-N 3.08Å; A222-K226 WeakPolarHBondContact O-CB 3.48Å; A222-K226 PolarHBondContact O-N 3.17Å; A222-F262 HydrophobicContact CB-CD1 4.35Å; A222-F262 HydrophobicContact CB-CE1 4.05Å; A222-L265 HydrophobicContact CB-CD2 3.75Å; A222-L265 HydrophobicContact CB-CG 4.47Å; A222-M272 HydrophobicContact CB-CE 4.44Å |
| 223 | E | 96.3 | Very high | 91.9 | Very high | 116 Ų | 116 | 71 Ų | 71 | 54% | 0.542 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.9 | -50.1 | 172.8 | -67.5 | -148.7 | 140.8 | 0 | 0 | 112.5 | E219 F221 F225 K226 Q227 | E219-E223 WeakPolarHBondContact O-CG 3.39Å; E219-E223 PolarHBondContact O-N 3.24Å; F221-E223 VanDerWaalsContact C-N 3.3Å; F221-E223 PolarHBondContact O-N 2.88Å; E223-F225 VanDerWaalsContact C-N 3.31Å; E223-F225 PolarHBondContact O-N 3.38Å; E223-K226 PolarHBondContact O-N 2.96Å; E223-Q227 WeakPolarHBondContact O-CB 3.41Å; E223-Q227 VanDerWaalsContact O-CG 3.26Å; E223-Q227 WeakPolarHBondContact O-CG 3.23Å; E223-Q227 PolarHBondContact O-N 3.24Å |
| 224 | R | 96.3 | Very high | 93 | Very high | 111 Ų | 111 | 71.8 Ų | 71.8 | 42% | 0.419 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.4 | -47.4 | 176.6 | 179.1 | -178.2 | 177.4 | -87.9 | -16 | 111 | A220 F221 Q227 R228 E287 | A220-R224 VanDerWaalsContact O-CB 3.25Å; A220-R224 WeakPolarHBondContact O-CB 3.42Å; A220-R224 PolarHBondContact O-N 3.09Å; F221-R224 PolarHBondContact O-N 3.23Å; R224-Q227 PolarHBondContact O-N 2.94Å; R224-R228 VanDerWaalsContact O-CB 3.24Å; R224-R228 WeakPolarHBondContact O-CB 3.49Å; R224-R228 PolarHBondContact O-N 3.26Å; R224-E287 IonicContact CZ-OE2 3.1Å; R224-E287 IonicContact NH1-OE2 2.73Å; R224-E287 IonicContact NH2-OE2 3.02Å; R224-E287 PolarHBondContact NH2-OE2 3.06Å |
| 225 | F | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.3 | -52.4 | 177.4 | 178.1 | -88.9 | 0 | 0 | 0 | 111.3 | F221 E223 Q227 R228 R229 V239 I259 E263 L279 W282 L283 | F221-F225 HydrophobicContact CE1-CB 4.24Å; F221-F225 HydrophobicContact CE1-CD2 4.47Å; F221-F225 HydrophobicContact CZ-CB 4.43Å; F221-F225 HydrophobicContact CZ-CD2 4.27Å; F221-F225 WeakPolarHBondContact O-CB 3.06Å; F221-F225 PolarHBondContact O-N 3.11Å; E223-F225 VanDerWaalsContact C-N 3.31Å; E223-F225 PolarHBondContact O-N 3.38Å; F225-Q227 PolarHBondContact O-N 3.41Å; F225-R228 PolarHBondContact O-N 2.82Å; F225-R229 VanDerWaalsContact O-CB 3.23Å; F225-R229 WeakPolarHBondContact O-CB 3.47Å; F225-R229 PolarHBondContact O-N 3.45Å; F225-V239 HydrophobicContact CZ-CG1 4Å; F225-V239 HydrophobicContact CZ-CG2 4.39Å; F225-I259 HydrophobicContact CE1-CG2 4.06Å; F225-E263 HydrophobicContact CD1-CG 4.06Å; F225-E263 HydrophobicContact CE1-CG 4.32Å; F225-E263 WeakPolarHBondContact CE1-OE1 3.35Å; F225-L279 HydrophobicContact CD2-CB 4.03Å; F225-L279 HydrophobicContact CE2-CB 3.73Å; F225-L279 HydrophobicContact CE2-CD2 4.09Å; F225-L279 HydrophobicContact CE2-CG 4.38Å; F225-L279 WeakPolarHBondContact CE2-O 3.24Å; F225-L279 HydrophobicContact CZ-CB 4.33Å; F225-L279 HydrophobicContact CZ-CD2 3.89Å; F225-W282 AromaticContact CE2-CE3 3.71Å; F225-W282 HydrophobicContact CE2-CE3 3.71Å; F225-W282 AromaticContact CE2-CZ3 3.95Å; F225-W282 HydrophobicContact CE2-CZ3 3.95Å; F225-W282 HydrophobicContact CZ-CE3 4.07Å; F225-W282 HydrophobicContact CZ-CZ3 4.09Å; F225-L283 HydrophobicContact CB-CD2 4.49Å; F225-L283 HydrophobicContact CD2-CB 4.24Å; F225-L283 HydrophobicContact CD2-CD1 4.36Å; F225-L283 HydrophobicContact CD2-CD2 4.09Å; F225-L283 HydrophobicContact CD2-CG 4.48Å; F225-L283 HydrophobicContact CE2-CB 4.4Å |
| 226 | K | 97.2 | Very high | 94.1 | Very high | 84 Ų | 84 | 69.8 Ų | 69.8 | 37% | 0.365 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 179.1 | 179 | -174.5 | -174.4 | 173.5 | 0 | 112.3 | A222 E223 R229 I230 E263 | A222-K226 WeakPolarHBondContact O-CB 3.48Å; A222-K226 PolarHBondContact O-N 3.17Å; E223-K226 PolarHBondContact O-N 2.96Å; K226-R229 PolarHBondContact O-NH2 2.93Å; K226-I230 HydrophobicContact CG-CD1 4.22Å; K226-I230 WeakPolarHBondContact O-CD1 3.27Å; K226-I230 WeakPolarHBondContact O-CG1 3.31Å; K226-I230 PolarHBondContact O-N 3.49Å; K226-I230 VanDerWaalsContact O-N 3.11Å; K226-E263 HydrophobicContact CB-CB 4.37Å; K226-E263 HydrophobicContact CB-CG 3.99Å; K226-E263 HydrophobicContact CD-CB 4.25Å; K226-E263 HydrophobicContact CG-CB 4.37Å; K226-E263 HydrophobicContact CG-CG 4.32Å; K226-E263 PolarHBondContact NZ-O 3.27Å |
| 227 | Q | 96.1 | Very high | 94.4 | Very high | 126 Ų | 126 | 62.8 Ų | 62.8 | 59% | 0.589 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.3 | -49.1 | 177.3 | -71.8 | 176.7 | 24.3 | 0 | 0 | 110.6 | E223 R224 F225 I230 K231 | E223-Q227 WeakPolarHBondContact O-CB 3.41Å; E223-Q227 VanDerWaalsContact O-CG 3.26Å; E223-Q227 WeakPolarHBondContact O-CG 3.23Å; E223-Q227 PolarHBondContact O-N 3.24Å; R224-Q227 PolarHBondContact O-N 2.94Å; F225-Q227 PolarHBondContact O-N 3.41Å; Q227-I230 PolarHBondContact O-N 3.07Å; Q227-K231 PolarHBondContact O-N 2.98Å |
| 228 | R | 95.1 | Very high | 94.5 | Very high | 57 Ų | 57 | 62 Ų | 62 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.6 | -42.2 | -175.2 | -171 | 50.1 | 156.9 | 128.4 | 5.5 | 112.1 | R224 F225 I230 K231 L232 L283 E287 | R224-R228 VanDerWaalsContact O-CB 3.24Å; R224-R228 WeakPolarHBondContact O-CB 3.49Å; R224-R228 PolarHBondContact O-N 3.26Å; F225-R228 PolarHBondContact O-N 2.82Å; R228-I230 VanDerWaalsContact C-N 3.29Å; R228-I230 PolarHBondContact O-N 3.1Å; R228-K231 CarbonylContact O-C 3.55Å; R228-K231 WeakPolarHBondContact O-CA 3.5Å; R228-K231 WeakPolarHBondContact O-CB 3.07Å; R228-K231 PolarHBondContact O-N 3.27Å; R228-L232 HydrophobicContact CG-CD1 4.12Å; R228-L232 HydrophobicContact CG-CG 4.38Å; R228-L232 WeakPolarHBondContact O-CG 3.41Å; R228-L232 PolarHBondContact O-N 3.35Å; R228-L283 HydrophobicContact CB-CD1 3.98Å; R228-L283 HydrophobicContact CB-CD2 4.47Å; R228-L283 HydrophobicContact CG-CD1 3.82Å; R228-L283 HydrophobicContact CG-CG 4.47Å; R228-E287 HydrophobicContact CG-CG 3.89Å; R228-E287 IonicContact CZ-OE1 2.76Å; R228-E287 VanDerWaalsContact NE-CD 3.31Å; R228-E287 IonicContact NE-OE1 2.75Å; R228-E287 PolarHBondContact NE-OE1 3.05Å; R228-E287 IonicContact NH2-OE1 2.68Å; R228-E287 PolarHBondContact NH2-OE1 3.09Å |
| 229 | R | 95.6 | Very high | 94.5 | Very high | 16 Ų | 16 | 61.7 Ų | 61.7 | 6% | 0.06 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -56.2 | -41.6 | 170.9 | -178.6 | -133.9 | 54.1 | -157.1 | -25.5 | 112 | F225 K226 L232 G233 V234 V239 E263 W282 | F225-R229 VanDerWaalsContact O-CB 3.23Å; F225-R229 WeakPolarHBondContact O-CB 3.47Å; F225-R229 PolarHBondContact O-N 3.45Å; K226-R229 PolarHBondContact O-NH2 2.93Å; R229-L232 PolarHBondContact O-N 3.29Å; R229-G233 PolarHBondContact O-N 3.12Å; R229-G233 VanDerWaalsContact O-N 3.17Å; R229-V234 VanDerWaalsContact CD-O 3.3Å; R229-V234 WeakPolarHBondContact CD-O 3.17Å; R229-V234 HydrophobicContact CG-CB 3.97Å; R229-V234 HydrophobicContact CG-CG1 4.37Å; R229-V234 WeakPolarHBondContact CG-O 3.34Å; R229-V234 PolarHBondContact NE-O 2.87Å; R229-V234 PolarHBondContact O-N 3.16Å; R229-V234 VanDerWaalsContact O-N 3.14Å; R229-V239 HydrophobicContact CG-CG2 3.8Å; R229-E263 IonicContact CZ-OE1 2.77Å; R229-E263 IonicContact CZ-OE2 2.65Å; R229-E263 VanDerWaalsContact CZ-OE2 3.29Å; R229-E263 IonicContact NE-OE1 3.15Å; R229-E263 IonicContact NH1-OE1 3.99Å; R229-E263 PolarHBondContact NH1-OE1 3.21Å; R229-E263 IonicContact NH1-OE2 2.71Å; R229-E263 PolarHBondContact NH1-OE2 3.33Å; R229-E263 IonicContact NH2-OE1 3.73Å; R229-E263 PolarHBondContact NH2-OE1 2.96Å; R229-E263 IonicContact NH2-OE2 3.64Å; R229-E263 PolarHBondContact NH2-OE2 3.02Å; R229-E263 VanDerWaalsContact NH2-OE2 3.1Å; R229-W282 HydrophobicContact CB-CZ3 4.44Å; R229-W282 HydrophobicContact CG-CH2 4.16Å; R229-W282 HydrophobicContact CG-CZ3 4.4Å |
| 230 | I | 93.6 | Very high | 94.3 | Very high | 106 Ų | 106 | 56.9 Ų | 56.9 | 54% | 0.544 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 173.3 | -68.8 | 162.9 | 0 | 0 | 0 | 111.3 | K226 Q227 R228 L232 G233 | K226-I230 HydrophobicContact CG-CD1 4.22Å; K226-I230 WeakPolarHBondContact O-CD1 3.27Å; K226-I230 WeakPolarHBondContact O-CG1 3.31Å; K226-I230 PolarHBondContact O-N 3.49Å; K226-I230 VanDerWaalsContact O-N 3.11Å; Q227-I230 PolarHBondContact O-N 3.07Å; R228-I230 VanDerWaalsContact C-N 3.29Å; R228-I230 PolarHBondContact O-N 3.1Å; I230-L232 VanDerWaalsContact C-N 3.3Å; I230-L232 PolarHBondContact O-N 3.23Å; I230-G233 WeakPolarHBondContact O-CA 3.39Å; I230-G233 PolarHBondContact O-N 3.37Å |
| 231 | K | 92.7 | Very high | 94 | Very high | 167 Ų | 167 | 57.5 Ų | 57.5 | 73% | 0.726 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.8 | -34.3 | 176.8 | -176 | 176.2 | -179.6 | 177.9 | 0 | 112.6 | Q227 R228 G233 | Q227-K231 PolarHBondContact O-N 2.98Å; R228-K231 CarbonylContact O-C 3.55Å; R228-K231 WeakPolarHBondContact O-CA 3.5Å; R228-K231 WeakPolarHBondContact O-CB 3.07Å; R228-K231 PolarHBondContact O-N 3.27Å; K231-G233 PolarHBondContact O-N 2.98Å |
| 232 | L | 90.8 | Very high | 93.5 | Very high | 21 Ų | 21 | 58.2 Ų | 58.2 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -9.2 | 172.9 | -61.1 | 165.2 | 0 | 0 | 0 | 112.6 | R228 R229 I230 V234 W282 L283 A286 Q290 | R228-L232 HydrophobicContact CG-CD1 4.12Å; R228-L232 HydrophobicContact CG-CG 4.38Å; R228-L232 WeakPolarHBondContact O-CG 3.41Å; R228-L232 PolarHBondContact O-N 3.35Å; R229-L232 PolarHBondContact O-N 3.29Å; I230-L232 VanDerWaalsContact C-N 3.3Å; I230-L232 PolarHBondContact O-N 3.23Å; L232-V234 VanDerWaalsContact C-N 3.28Å; L232-V234 HydrophobicContact CB-CG2 3.95Å; L232-V234 PolarHBondContact O-N 3.46Å; L232-W282 HydrophobicContact CD1-CH2 4.44Å; L232-L283 HydrophobicContact CD1-CD1 4.05Å; L232-A286 HydrophobicContact CD1-CB 3.98Å; L232-Q290 HydrophobicContact CD2-CB 3.97Å; L232-Q290 HydrophobicContact CD2-CG 3.6Å |
| 233 | G | 91.7 | Very high | 93 | Very high | 43 Ų | 43 | 58.2 Ų | 58.2 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 4.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R229 I230 K231 | R229-G233 PolarHBondContact O-N 3.12Å; R229-G233 VanDerWaalsContact O-N 3.17Å; I230-G233 WeakPolarHBondContact O-CA 3.39Å; I230-G233 PolarHBondContact O-N 3.37Å; K231-G233 PolarHBondContact O-N 2.98Å |
| 234 | V | 93 | Very high | 92.1 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | trans | -83.3 | 139.4 | -171.8 | -177.2 | 0 | 0 | 0 | 0 | 111 | R229 L232 D238 V239 W282 | R229-V234 VanDerWaalsContact CD-O 3.3Å; R229-V234 WeakPolarHBondContact CD-O 3.17Å; R229-V234 HydrophobicContact CG-CB 3.97Å; R229-V234 HydrophobicContact CG-CG1 4.37Å; R229-V234 WeakPolarHBondContact CG-O 3.34Å; R229-V234 PolarHBondContact NE-O 2.87Å; R229-V234 PolarHBondContact O-N 3.16Å; R229-V234 VanDerWaalsContact O-N 3.14Å; L232-V234 VanDerWaalsContact C-N 3.28Å; L232-V234 HydrophobicContact CB-CG2 3.95Å; L232-V234 PolarHBondContact O-N 3.46Å; V234-D238 HydrophobicContact CG1-CB 3.64Å; V234-V239 HydrophobicContact CG1-CG2 3.89Å; V234-W282 HydrophobicContact CB-CH2 4.24Å; V234-W282 HydrophobicContact CB-CZ2 4.47Å; V234-W282 HydrophobicContact CG1-CH2 4Å; V234-W282 HydrophobicContact CG1-CZ2 3.86Å; V234-W282 HydrophobicContact CG2-CH2 4.33Å; V234-W282 HydrophobicContact CG2-CZ2 4.4Å | ||
| 235 | T | 95.3 | Very high | 90.9 | Very high | 72 Ų | 72 | 55.8 Ų | 55.8 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | trans | -90 | 162.5 | 175.6 | 81 | 0 | 0 | 0 | 0 | 112.7 | A237 D238 V239 | T235-A237 PolarHBondContact O-N 3.37Å; T235-A237 PolarHBondContact OG1-N 2.79Å; T235-D238 WeakPolarHBondContact CA-OD2 3.45Å; T235-D238 WeakPolarHBondContact CB-OD2 3.42Å; T235-D238 VanDerWaalsContact CG2-OD2 3.27Å; T235-D238 WeakPolarHBondContact CG2-OD2 3.27Å; T235-D238 PolarHBondContact N-OD2 3.18Å; T235-D238 PolarHBondContact O-N 3.38Å; T235-D238 VanDerWaalsContact O-N 3.09Å; T235-D238 PolarHBondContact OG1-N 2.89Å; T235-D238 PolarHBondContact OG1-OD1 3.47Å; T235-D238 PolarHBondContact OG1-OD2 3.12Å; T235-V239 WeakPolarHBondContact O-CG2 3.13Å; T235-V239 PolarHBondContact O-N 3.17Å | ||
| 236 | Q | 94.2 | Very high | 89.4 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.5 | -30.6 | 176.1 | -68.5 | 175.3 | -23.6 | 0 | 0 | 113.6 | G240 Q256 I259 E263 | Q236-G240 PolarHBondContact O-N 3.3Å; Q236-Q256 HydrophobicContact CB-CB 4.46Å; Q236-Q256 HydrophobicContact CB-CG 3.75Å; Q236-I259 HydrophobicContact CB-CB 4.19Å; Q236-I259 HydrophobicContact CB-CG2 4.19Å; Q236-I259 HydrophobicContact CG-CB 4.38Å; Q236-I259 HydrophobicContact CG-CG2 4.02Å; Q236-E263 PolarHBondContact NE2-OE2 2.94Å |
| 237 | A | 92.2 | Very high | 87.5 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -75.8 | -36.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T235 G240 S241 Q256 | T235-A237 PolarHBondContact O-N 3.37Å; T235-A237 PolarHBondContact OG1-N 2.79Å; A237-G240 PolarHBondContact O-N 3.18Å; A237-S241 WeakPolarHBondContact O-CB 3.45Å; A237-S241 PolarHBondContact O-N 3.27Å; A237-S241 PolarHBondContact O-OG 3.35Å; A237-Q256 HydrophobicContact CB-CB 4.17Å; A237-Q256 HydrophobicContact CB-CG 4.44Å |
| 238 | D | 92.8 | Very high | 86.1 | Confident | 79 Ų | 79 | 60 Ų | 60 | 42% | 0.422 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.6 | -40.2 | 178.8 | -50 | -38.9 | 0 | 0 | 0 | 110.8 | V234 T235 S241 A242 | V234-D238 HydrophobicContact CG1-CB 3.64Å; T235-D238 WeakPolarHBondContact CA-OD2 3.45Å; T235-D238 WeakPolarHBondContact CB-OD2 3.42Å; T235-D238 VanDerWaalsContact CG2-OD2 3.27Å; T235-D238 WeakPolarHBondContact CG2-OD2 3.27Å; T235-D238 PolarHBondContact N-OD2 3.18Å; T235-D238 PolarHBondContact O-N 3.38Å; T235-D238 VanDerWaalsContact O-N 3.09Å; T235-D238 PolarHBondContact OG1-N 2.89Å; T235-D238 PolarHBondContact OG1-OD1 3.47Å; T235-D238 PolarHBondContact OG1-OD2 3.12Å; D238-S241 PolarHBondContact O-N 3.27Å; D238-A242 VanDerWaalsContact O-CB 3.23Å; D238-A242 WeakPolarHBondContact O-CB 3.17Å; D238-A242 PolarHBondContact O-N 3.37Å |
| 239 | V | 92.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -54.2 | -54.1 | 170.3 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | F225 R229 V234 T235 S241 A242 L243 I259 L279 W282 | F225-V239 HydrophobicContact CZ-CG1 4Å; F225-V239 HydrophobicContact CZ-CG2 4.39Å; R229-V239 HydrophobicContact CG-CG2 3.8Å; V234-V239 HydrophobicContact CG1-CG2 3.89Å; T235-V239 WeakPolarHBondContact O-CG2 3.13Å; T235-V239 PolarHBondContact O-N 3.17Å; V239-S241 PolarHBondContact O-N 3.41Å; V239-A242 PolarHBondContact O-N 3.1Å; V239-L243 HydrophobicContact CG1-CD1 3.94Å; V239-L243 HydrophobicContact CG1-CG 4.49Å; V239-L243 WeakPolarHBondContact O-CG 3.41Å; V239-L243 PolarHBondContact O-N 3.25Å; V239-I259 HydrophobicContact CB-CG1 4.34Å; V239-I259 HydrophobicContact CG1-CD1 3.76Å; V239-I259 HydrophobicContact CG1-CG1 4.08Å; V239-I259 HydrophobicContact CG1-CG2 4.4Å; V239-L279 HydrophobicContact CG1-CD2 4.21Å; V239-W282 HydrophobicContact CG1-CD2 4.28Å; V239-W282 HydrophobicContact CG1-CE3 4.4Å; V239-W282 HydrophobicContact CG2-CE3 4.49Å; V239-W282 HydrophobicContact CG2-CH2 3.72Å; V239-W282 HydrophobicContact CG2-CZ2 3.88Å; V239-W282 HydrophobicContact CG2-CZ3 4.02Å |
| 240 | G | 89.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -59.9 | -34.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q236 A237 L254 | Q236-G240 PolarHBondContact O-N 3.3Å; A237-G240 PolarHBondContact O-N 3.18Å; G240-L254 CarbonylContact C-O 3.55Å; G240-L254 WeakPolarHBondContact CA-O 3.45Å; G240-L254 PolarHBondContact O-N 3.41Å |
| 241 | S | 87.3 | Confident | 81 | Confident | 72 Ų | 72 | 63.5 Ų | 63.5 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -77 | -40 | 176.2 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | A237 D238 V239 A244 | A237-S241 WeakPolarHBondContact O-CB 3.45Å; A237-S241 PolarHBondContact O-N 3.27Å; A237-S241 PolarHBondContact O-OG 3.35Å; D238-S241 PolarHBondContact O-N 3.27Å; V239-S241 PolarHBondContact O-N 3.41Å; S241-A244 WeakPolarHBondContact O-CB 3.38Å; S241-A244 PolarHBondContact O-N 2.96Å |
| 242 | A | 86.8 | Confident | 79.8 | Confident | 31 Ų | 31 | 57.9 Ų | 57.9 | 26% | 0.256 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.2 | -35 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D238 V239 A244 N245 L246 | D238-A242 VanDerWaalsContact O-CB 3.23Å; D238-A242 WeakPolarHBondContact O-CB 3.17Å; D238-A242 PolarHBondContact O-N 3.37Å; V239-A242 PolarHBondContact O-N 3.1Å; A242-A244 PolarHBondContact O-N 3.22Å; A242-N245 WeakPolarHBondContact O-CB 3.47Å; A242-N245 PolarHBondContact O-N 2.98Å; A242-L246 PolarHBondContact O-N 3.07Å |
| 243 | L | 85.6 | Confident | 79.2 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.6 | -34.6 | 173.1 | -76.7 | 167.1 | 0 | 0 | 0 | 113 | V239 N245 L246 L254 I259 I278 L279 W282 | V239-L243 HydrophobicContact CG1-CD1 3.94Å; V239-L243 HydrophobicContact CG1-CG 4.49Å; V239-L243 WeakPolarHBondContact O-CG 3.41Å; V239-L243 PolarHBondContact O-N 3.25Å; L243-N245 PolarHBondContact O-N 2.92Å; L243-L246 HydrophobicContact CD2-CD1 4.18Å; L243-L246 PolarHBondContact O-N 3.38Å; L243-L254 HydrophobicContact CD1-CB 4.17Å; L243-L254 HydrophobicContact CD1-CD1 3.59Å; L243-L254 HydrophobicContact CD1-CG 3.89Å; L243-I259 HydrophobicContact CD1-CD1 4.33Å; L243-I278 HydrophobicContact CD1-CG2 4.43Å; L243-I278 HydrophobicContact CD2-CG2 3.63Å; L243-L279 HydrophobicContact CD1-CD2 3.88Å; L243-W282 HydrophobicContact CD2-CB 3.68Å; L243-W282 HydrophobicContact CD2-CG 4.15Å; L243-W282 HydrophobicContact CG-CB 4.42Å; L243-W282 HydrophobicContact CG-CG 4.39Å |
| 244 | A | 78.8 | Confident | 78.9 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.1 | -29.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S241 A242 | S241-A244 WeakPolarHBondContact O-CB 3.38Å; S241-A244 PolarHBondContact O-N 2.96Å; A242-A244 PolarHBondContact O-N 3.22Å |
| 245 | N | 69.8 | Low | 78.8 | Confident | 131 Ų | 131 | 61.2 Ų | 61.2 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -84.7 | -20.1 | -179.9 | -63.4 | -26.6 | 0 | 0 | 0 | 112.9 | A242 L243 K247 | A242-N245 WeakPolarHBondContact O-CB 3.47Å; A242-N245 PolarHBondContact O-N 2.98Å; L243-N245 PolarHBondContact O-N 2.92Å; N245-K247 PolarHBondContact O-N 3Å |
| 246 | L | 66 | Low | 78.7 | Confident | 64 Ų | 64 | 62.3 Ų | 62.3 | 34% | 0.335 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -6.5 | 178.6 | -83.8 | 168.3 | 0 | 0 | 0 | 114.1 | A242 L243 I248 W282 E285 | A242-L246 PolarHBondContact O-N 3.07Å; L243-L246 HydrophobicContact CD2-CD1 4.18Å; L243-L246 PolarHBondContact O-N 3.38Å; L246-I248 HydrophobicContact CB-CG1 4.41Å; L246-I248 PolarHBondContact O-N 3.23Å; L246-W282 HydrophobicContact CD1-CB 3.81Å; L246-W282 HydrophobicContact CD1-CG 4.12Å; L246-E285 HydrophobicContact CD2-CG 4.36Å |
| 247 | K | 58.4 | Low | 78.7 | Confident | 182 Ų | 182 | 63.1 Ų | 63.1 | 79% | 0.791 | 40% | 0.404 | S | S | * | . | trans | 50.9 | 32.5 | 172.3 | -69.7 | 177.3 | 175.3 | 176.9 | 0 | 114.7 | N245 P249 | N245-K247 PolarHBondContact O-N 3Å; K247-P249 VanDerWaalsContact O-CD 3.31Å; K247-P249 WeakPolarHBondContact O-CD 3.47Å | ||
| 248 | I | 66.3 | Low | 78.9 | Confident | 54 Ų | 54 | 62.9 Ų | 62.9 | 28% | 0.277 | 40% | 0.398 | S | S | . | . | trans | -65.9 | 119.4 | 170.6 | -58.1 | 175.2 | 0 | 0 | 0 | 107.4 | L246 G250 V251 | L246-I248 HydrophobicContact CB-CG1 4.41Å; L246-I248 PolarHBondContact O-N 3.23Å; I248-G250 PolarHBondContact O-N 3.25Å; I248-V251 HydrophobicContact CB-CB 4.12Å; I248-V251 HydrophobicContact CB-CG2 4.16Å; I248-V251 HydrophobicContact CG2-CB 4.24Å; I248-V251 HydrophobicContact CG2-CG2 3.71Å; I248-V251 PolarHBondContact O-N 2.85Å; I248-V251 VanDerWaalsContact O-N 3.11Å | ||
| 249 | P | 52.3 | Low | 79 | Confident | 125 Ų | 125 | 59.2 Ų | 59.2 | 81% | 0.812 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 129.4 | -176.6 | -25.9 | 35.4 | 0 | 0 | 0 | 111.8 | K247 V251 | K247-P249 VanDerWaalsContact O-CD 3.31Å; K247-P249 WeakPolarHBondContact O-CD 3.47Å; P249-V251 VanDerWaalsContact C-N 3.32Å; P249-V251 PolarHBondContact O-N 2.85Å |
| 250 | G | 58.5 | Low | 79.2 | Confident | 90 Ų | 90 | 61.5 Ų | 61.5 | 93% | 0.928 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -8.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | I248 | I248-G250 PolarHBondContact O-N 3.25Š|
| 251 | V | 65.7 | Low | 79.5 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 22% | 0.218 | 42% | 0.418 | C | S | . | . | trans | -101.1 | 107.2 | 179 | -177 | 0 | 0 | 0 | 0 | 110.5 | I248 P249 I278 | I248-V251 HydrophobicContact CB-CB 4.12Å; I248-V251 HydrophobicContact CB-CG2 4.16Å; I248-V251 HydrophobicContact CG2-CB 4.24Å; I248-V251 HydrophobicContact CG2-CG2 3.71Å; I248-V251 PolarHBondContact O-N 2.85Å; I248-V251 VanDerWaalsContact O-N 3.11Å; P249-V251 VanDerWaalsContact C-N 3.32Å; P249-V251 PolarHBondContact O-N 2.85Å; V251-I278 HydrophobicContact CB-CD1 4.48Å; V251-I278 HydrophobicContact CG1-CD1 3.97Å; V251-I278 HydrophobicContact CG1-CG2 3.92Å; V251-I278 HydrophobicContact CG2-CD1 3.6Å; V251-I278 HydrophobicContact CG2-CG1 4.08Å | ||
| 252 | G | 68.2 | Low | 80 | Confident | 50 Ų | 50 | 64.7 Ų | 64.7 | 52% | 0.515 | 39% | 0.394 | S | S | . | . | trans | -76.5 | -177.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L254 | G252-L254 PolarHBondContact O-N 3.18Š| ||
| 253 | S | 77.6 | Confident | 80.5 | Confident | 89 Ų | 89 | 63.9 Ų | 63.9 | 62% | 0.622 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 124.2 | 171.7 | 50.5 | 0 | 0 | 0 | 0 | 111 | ||
| 254 | L | 87.3 | Confident | 81 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 142.4 | 173.5 | -63.2 | -171.1 | 0 | 0 | 0 | 110.1 | G240 L243 G252 I259 L275 L279 | G240-L254 CarbonylContact C-O 3.55Å; G240-L254 WeakPolarHBondContact CA-O 3.45Å; G240-L254 PolarHBondContact O-N 3.41Å; L243-L254 HydrophobicContact CD1-CB 4.17Å; L243-L254 HydrophobicContact CD1-CD1 3.59Å; L243-L254 HydrophobicContact CD1-CG 3.89Å; G252-L254 PolarHBondContact O-N 3.18Å; L254-I259 HydrophobicContact CB-CD1 3.98Å; L254-I259 HydrophobicContact CD1-CD1 3.84Å; L254-L275 HydrophobicContact CD1-CD2 3.63Å; L254-L275 HydrophobicContact CD2-CD2 4.15Å; L254-L279 HydrophobicContact CD1-CD2 4.31Å |
| 255 | S | 90.6 | Very high | 81.8 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 151.3 | 176.7 | 84.7 | 0 | 0 | 0 | 0 | 111.4 | S257 T258 I259 | S255-S257 PolarHBondContact O-N 2.9Å; S255-S257 VanDerWaalsContact O-N 3.12Å; S255-S257 PolarHBondContact OG-N 2.88Å; S255-S257 PolarHBondContact OG-OG 3Å; S255-T258 WeakPolarHBondContact O-CA 3.39Å; S255-T258 VanDerWaalsContact O-CB 3.32Å; S255-T258 WeakPolarHBondContact O-CB 3.48Å; S255-T258 PolarHBondContact O-N 2.71Å; S255-T258 PolarHBondContact OG-N 3.35Å; S255-T258 PolarHBondContact OG-OG1 3.38Å; S255-I259 PolarHBondContact O-N 3.05Å; S255-I259 VanDerWaalsContact O-N 3.16Å |
| 256 | Q | 93.2 | Very high | 83 | Confident | 95 Ų | 95 | 66.2 Ų | 66.2 | 44% | 0.444 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -49.3 | -37.8 | 167.9 | 174.4 | -82.6 | -40.8 | 0 | 0 | 111.9 | Q236 A237 C260 | Q236-Q256 HydrophobicContact CB-CB 4.46Å; Q236-Q256 HydrophobicContact CB-CG 3.75Å; A237-Q256 HydrophobicContact CB-CB 4.17Å; A237-Q256 HydrophobicContact CB-CG 4.44Å; Q256-C260 VanDerWaalsContact O-CB 3.3Å; Q256-C260 WeakPolarHBondContact O-CB 3.21Å; Q256-C260 PolarHBondContact O-N 2.94Å |
| 257 | S | 94.4 | Very high | 84.3 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.8 | -31.5 | 179.3 | 80.9 | 0 | 0 | 0 | 0 | 112.8 | S255 C260 R261 | S255-S257 PolarHBondContact O-N 2.9Å; S255-S257 VanDerWaalsContact O-N 3.12Å; S255-S257 PolarHBondContact OG-N 2.88Å; S255-S257 PolarHBondContact OG-OG 3Å; S257-C260 PolarHBondContact O-N 3.38Å; S257-R261 WeakPolarHBondContact O-CB 3.42Å; S257-R261 VanDerWaalsContact O-CG 3.29Å; S257-R261 WeakPolarHBondContact O-CG 3.09Å; S257-R261 PolarHBondContact O-N 2.98Å |
| 258 | T | 94.6 | Very high | 86 | Confident | 38 Ų | 38 | 59.4 Ų | 59.4 | 23% | 0.233 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67 | -50.8 | 175.4 | -48.5 | 0 | 0 | 0 | 0 | 110.1 | S255 C260 R261 F262 L275 | S255-T258 WeakPolarHBondContact O-CA 3.39Å; S255-T258 VanDerWaalsContact O-CB 3.32Å; S255-T258 WeakPolarHBondContact O-CB 3.48Å; S255-T258 PolarHBondContact O-N 2.71Å; S255-T258 PolarHBondContact OG-N 3.35Å; S255-T258 PolarHBondContact OG-OG1 3.38Å; T258-C260 VanDerWaalsContact C-N 3.28Å; T258-C260 PolarHBondContact O-N 3.27Å; T258-R261 PolarHBondContact O-N 3.27Å; T258-F262 PolarHBondContact O-N 3.17Å; T258-L275 HydrophobicContact CG2-CD1 3.92Å |
| 259 | I | 95.7 | Very high | 87 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 176.1 | -51.5 | -55.9 | 0 | 0 | 0 | 110.7 | F225 Q236 V239 L243 L254 S255 R261 F262 E263 L279 | F225-I259 HydrophobicContact CE1-CG2 4.06Å; Q236-I259 HydrophobicContact CB-CB 4.19Å; Q236-I259 HydrophobicContact CB-CG2 4.19Å; Q236-I259 HydrophobicContact CG-CB 4.38Å; Q236-I259 HydrophobicContact CG-CG2 4.02Å; V239-I259 HydrophobicContact CB-CG1 4.34Å; V239-I259 HydrophobicContact CG1-CD1 3.76Å; V239-I259 HydrophobicContact CG1-CG1 4.08Å; V239-I259 HydrophobicContact CG1-CG2 4.4Å; L243-I259 HydrophobicContact CD1-CD1 4.33Å; L254-I259 HydrophobicContact CB-CD1 3.98Å; L254-I259 HydrophobicContact CD1-CD1 3.84Å; S255-I259 PolarHBondContact O-N 3.05Å; S255-I259 VanDerWaalsContact O-N 3.16Å; I259-R261 PolarHBondContact O-N 2.91Å; I259-F262 PolarHBondContact O-N 2.98Å; I259-E263 HydrophobicContact CG2-CG 4.49Å; I259-E263 WeakPolarHBondContact O-CG 3.36Å; I259-E263 PolarHBondContact O-N 2.87Å; I259-L279 HydrophobicContact CD1-CD2 3.7Å |
| 260 | C | 96.8 | Very high | 88.7 | Confident | 48 Ų | 48 | 61 Ų | 61 | 32% | 0.324 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.5 | -167.6 | 0 | 0 | 0 | 0 | 112.8 | Q256 S257 T258 E263 S264 | Q256-C260 VanDerWaalsContact O-CB 3.3Å; Q256-C260 WeakPolarHBondContact O-CB 3.21Å; Q256-C260 PolarHBondContact O-N 2.94Å; S257-C260 PolarHBondContact O-N 3.38Å; T258-C260 VanDerWaalsContact C-N 3.28Å; T258-C260 PolarHBondContact O-N 3.27Å; C260-E263 PolarHBondContact O-N 3.04Å; C260-S264 PolarHBondContact O-N 3.44Å; C260-S264 PolarHBondContact O-OG 2.96Å |
| 261 | R | 96.6 | Very high | 90.3 | Very high | 141 Ų | 141 | 60.9 Ų | 60.9 | 53% | 0.532 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.5 | -33.8 | 178.7 | -73 | 178.2 | -174.4 | -155.2 | 4 | 112.8 | S257 T258 I259 S264 L265 T266 L267 | S257-R261 WeakPolarHBondContact O-CB 3.42Å; S257-R261 VanDerWaalsContact O-CG 3.29Å; S257-R261 WeakPolarHBondContact O-CG 3.09Å; S257-R261 PolarHBondContact O-N 2.98Å; T258-R261 PolarHBondContact O-N 3.27Å; I259-R261 PolarHBondContact O-N 2.91Å; R261-S264 PolarHBondContact O-N 3.07Å; R261-S264 PolarHBondContact O-OG 3.5Å; R261-L265 PolarHBondContact O-N 2.88Å; R261-L265 VanDerWaalsContact O-N 3.16Å; R261-T266 VanDerWaalsContact CA-OG1 3.26Å; R261-T266 WeakPolarHBondContact CA-OG1 3.46Å; R261-T266 WeakPolarHBondContact CB-OG1 3.42Å; R261-T266 PolarHBondContact O-N 2.92Å; R261-T266 PolarHBondContact O-OG1 3.49Å; R261-T266 VanDerWaalsContact O-OG1 3.07Å; R261-L267 HydrophobicContact CB-CD1 4.41Å; R261-L267 HydrophobicContact CB-CD2 3.51Å; R261-L267 HydrophobicContact CB-CG 3.69Å; R261-L267 HydrophobicContact CG-CD2 4.29Å |
| 262 | F | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.4 | -51 | 173.2 | -173.3 | -85.2 | 0 | 0 | 0 | 110.9 | F221 A222 T258 I259 S264 L265 L267 M272 L275 L279 | F221-F262 AromaticContact CD1-CE1 3.73Å; F221-F262 HydrophobicContact CD1-CE1 3.73Å; F221-F262 AromaticContact CD1-CZ 3.62Å; F221-F262 HydrophobicContact CD1-CZ 3.62Å; F221-F262 AromaticContact CE1-CE1 3.62Å; F221-F262 HydrophobicContact CE1-CE1 3.62Å; F221-F262 AromaticContact CE1-CZ 3.55Å; F221-F262 HydrophobicContact CE1-CZ 3.55Å; A222-F262 HydrophobicContact CB-CD1 4.35Å; A222-F262 HydrophobicContact CB-CE1 4.05Å; T258-F262 PolarHBondContact O-N 3.17Å; I259-F262 PolarHBondContact O-N 2.98Å; F262-S264 PolarHBondContact O-N 3.18Å; F262-S264 VanDerWaalsContact O-N 3.12Å; F262-L265 PolarHBondContact O-N 2.99Å; F262-L267 HydrophobicContact CB-CD1 3.98Å; F262-L267 HydrophobicContact CD2-CD1 4.29Å; F262-M272 HydrophobicContact CB-SD 4.4Å; F262-M272 HydrophobicContact CD1-CE 4.25Å; F262-M272 HydrophobicContact CD2-CE 3.56Å; F262-M272 HydrophobicContact CD2-SD 3.47Å; F262-M272 WeakPolarHBondContact CD2-SD 3.29Å; F262-M272 HydrophobicContact CE1-CE 4.17Å; F262-M272 HydrophobicContact CE2-CE 3.46Å; F262-M272 VanDerWaalsContact CE2-CE 3.46Å; F262-M272 HydrophobicContact CE2-SD 3.87Å; F262-M272 HydrophobicContact CG-CE 3.95Å; F262-M272 HydrophobicContact CG-SD 4.04Å; F262-M272 HydrophobicContact CZ-CE 3.77Å; F262-L275 HydrophobicContact CD2-CB 3.78Å; F262-L275 HydrophobicContact CD2-CD1 4.06Å; F262-L275 HydrophobicContact CE2-CB 3.72Å; F262-L279 HydrophobicContact CB-CD1 4.35Å; F262-L279 HydrophobicContact CD1-CD1 3.48Å; F262-L279 VanDerWaalsContact CD1-CD1 3.48Å; F262-L279 HydrophobicContact CD2-CD1 3.67Å; F262-L279 HydrophobicContact CE1-CD1 3.57Å; F262-L279 HydrophobicContact CE2-CD1 3.74Å; F262-L279 HydrophobicContact CG-CD1 3.55Å; F262-L279 HydrophobicContact CZ-CD1 3.7Å |
| 263 | E | 97.3 | Very high | 92.8 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -8.2 | 178.1 | -70.3 | 179 | -179.2 | 0 | 0 | 115.6 | F225 K226 R229 Q236 I259 C260 | F225-E263 HydrophobicContact CD1-CG 4.06Å; F225-E263 HydrophobicContact CE1-CG 4.32Å; F225-E263 WeakPolarHBondContact CE1-OE1 3.35Å; K226-E263 HydrophobicContact CB-CB 4.37Å; K226-E263 HydrophobicContact CB-CG 3.99Å; K226-E263 HydrophobicContact CD-CB 4.25Å; K226-E263 HydrophobicContact CG-CB 4.37Å; K226-E263 HydrophobicContact CG-CG 4.32Å; K226-E263 PolarHBondContact NZ-O 3.27Å; R229-E263 IonicContact CZ-OE1 2.77Å; R229-E263 IonicContact CZ-OE2 2.65Å; R229-E263 VanDerWaalsContact CZ-OE2 3.29Å; R229-E263 IonicContact NE-OE1 3.15Å; R229-E263 IonicContact NH1-OE1 3.99Å; R229-E263 PolarHBondContact NH1-OE1 3.21Å; R229-E263 IonicContact NH1-OE2 2.71Å; R229-E263 PolarHBondContact NH1-OE2 3.33Å; R229-E263 IonicContact NH2-OE1 3.73Å; R229-E263 PolarHBondContact NH2-OE1 2.96Å; R229-E263 IonicContact NH2-OE2 3.64Å; R229-E263 PolarHBondContact NH2-OE2 3.02Å; R229-E263 VanDerWaalsContact NH2-OE2 3.1Å; Q236-E263 PolarHBondContact NE2-OE2 2.94Å; I259-E263 HydrophobicContact CG2-CG 4.49Å; I259-E263 WeakPolarHBondContact O-CG 3.36Å; I259-E263 PolarHBondContact O-N 2.87Å; C260-E263 PolarHBondContact O-N 3.04Å |
| 264 | S | 96.4 | Very high | 93.4 | Very high | 61 Ų | 61 | 57 Ų | 57 | 43% | 0.427 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 7.5 | 172.8 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | C260 R261 F262 T266 | C260-S264 PolarHBondContact O-N 3.44Å; C260-S264 PolarHBondContact O-OG 2.96Å; R261-S264 PolarHBondContact O-N 3.07Å; R261-S264 PolarHBondContact O-OG 3.5Å; F262-S264 PolarHBondContact O-N 3.18Å; F262-S264 VanDerWaalsContact O-N 3.12Å; S264-T266 WeakPolarHBondContact O-CG2 3.46Å; S264-T266 PolarHBondContact O-N 2.79Å; S264-T266 PolarHBondContact OG-OG1 3.45Å |
| 265 | L | 95.6 | Very high | 93.6 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 41% | 0.408 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 31.9 | 178.4 | -55.2 | 162.2 | 0 | 0 | 0 | 113.2 | E219 A222 R261 F262 M272 | E219-L265 HydrophobicContact CB-CD1 4.31Å; E219-L265 HydrophobicContact CG-CD1 3.75Å; E219-L265 HydrophobicContact CG-CD2 4.26Å; A222-L265 HydrophobicContact CB-CD2 3.75Å; A222-L265 HydrophobicContact CB-CG 4.47Å; R261-L265 PolarHBondContact O-N 2.88Å; R261-L265 VanDerWaalsContact O-N 3.16Å; F262-L265 PolarHBondContact O-N 2.99Å; L265-M272 HydrophobicContact CD2-CE 3.78Å |
| 266 | T | 95.3 | Very high | 93.7 | Very high | 88 Ų | 88 | 55 Ų | 55 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | trans | -106.2 | 16 | -177.6 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | R261 S264 | R261-T266 VanDerWaalsContact CA-OG1 3.26Å; R261-T266 WeakPolarHBondContact CA-OG1 3.46Å; R261-T266 WeakPolarHBondContact CB-OG1 3.42Å; R261-T266 PolarHBondContact O-N 2.92Å; R261-T266 PolarHBondContact O-OG1 3.49Å; R261-T266 VanDerWaalsContact O-OG1 3.07Å; S264-T266 WeakPolarHBondContact O-CG2 3.46Å; S264-T266 PolarHBondContact O-N 2.79Å; S264-T266 PolarHBondContact OG-OG1 3.45Å | ||
| 267 | L | 93.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 18% | 0.183 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -95.6 | 159.2 | 166.3 | -61.5 | 176.3 | 0 | 0 | 0 | 109.3 | R261 F262 N271 M272 L275 | R261-L267 HydrophobicContact CB-CD1 4.41Å; R261-L267 HydrophobicContact CB-CD2 3.51Å; R261-L267 HydrophobicContact CB-CG 3.69Å; R261-L267 HydrophobicContact CG-CD2 4.29Å; F262-L267 HydrophobicContact CB-CD1 3.98Å; F262-L267 HydrophobicContact CD2-CD1 4.29Å; L267-N271 HydrophobicContact CB-CB 4.16Å; L267-M272 HydrophobicContact CB-CG 4.02Å; L267-M272 HydrophobicContact CB-SD 3.8Å; L267-M272 HydrophobicContact CD1-SD 4.16Å; L267-M272 HydrophobicContact CG-SD 4.32Å; L267-L275 HydrophobicContact CD1-CD1 3.49Å; L267-L275 VanDerWaalsContact CD1-CD1 3.49Å |
| 268 | S | 93.1 | Very high | 93.5 | Very high | 68 Ų | 68 | 52.2 Ų | 52.2 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | trans | -64.5 | 151.8 | 170.6 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | N270 N271 M272 | S268-N270 VanDerWaalsContact C-N 3.33Å; S268-N270 PolarHBondContact O-N 2.97Å; S268-N271 WeakPolarHBondContact O-CA 3.46Å; S268-N271 WeakPolarHBondContact O-CB 3.32Å; S268-N271 PolarHBondContact O-N 3.36Å; S268-N271 PolarHBondContact OG-ND2 3.28Å; S268-M272 PolarHBondContact O-N 3.12Å | ||
| 269 | H | 88.3 | Confident | 93.5 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 39% | 0.394 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -53.2 | -46.3 | -176.4 | -173.7 | 69.9 | 0 | 0 | 0 | 112.7 | N271 M272 I273 | H269-N271 VanDerWaalsContact C-N 3.29Å; H269-N271 PolarHBondContact O-N 2.61Å; H269-M272 WeakPolarHBondContact O-CA 3.29Å; H269-M272 WeakPolarHBondContact O-CB 3.45Å; H269-M272 PolarHBondContact O-N 3.45Å; H269-I273 WeakPolarHBondContact NE2-CD1 3.48Å; H269-I273 PolarHBondContact O-N 3.22Å |
| 270 | N | 88.8 | Confident | 93.3 | Very high | 127 Ų | 127 | 53.6 Ų | 53.6 | 68% | 0.679 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60 | -36.2 | 176.9 | -54.2 | 18.6 | 0 | 0 | 0 | 112.8 | S268 A274 | S268-N270 VanDerWaalsContact C-N 3.33Å; S268-N270 PolarHBondContact O-N 2.97Å; N270-A274 WeakPolarHBondContact O-CB 3.43Å; N270-A274 PolarHBondContact O-N 3.4Å |
| 271 | N | 91.3 | Very high | 93 | Very high | 88 Ų | 88 | 53.5 Ų | 53.5 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -72.8 | -33.3 | 174 | -80.1 | -52.3 | 0 | 0 | 0 | 111.9 | L267 S268 H269 L275 | L267-N271 HydrophobicContact CB-CB 4.16Å; S268-N271 WeakPolarHBondContact O-CA 3.46Å; S268-N271 WeakPolarHBondContact O-CB 3.32Å; S268-N271 PolarHBondContact O-N 3.36Å; S268-N271 PolarHBondContact OG-ND2 3.28Å; H269-N271 VanDerWaalsContact C-N 3.29Å; H269-N271 PolarHBondContact O-N 2.61Å; N271-L275 VanDerWaalsContact O-CB 3.3Å; N271-L275 WeakPolarHBondContact O-CB 3.38Å; N271-L275 WeakPolarHBondContact O-CG 3.21Å; N271-L275 PolarHBondContact O-N 2.79Å; N271-L275 VanDerWaalsContact O-N 3.08Å |
| 272 | M | 94.1 | Very high | 92.8 | Very high | 9 Ų | 9 | 47.5 Ų | 47.5 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 173.9 | -69.1 | -65.2 | -58.6 | 0 | 0 | 111.1 | L218 A222 F262 L265 L267 S268 H269 L275 K276 | L218-M272 HydrophobicContact CD1-CB 4.16Å; L218-M272 HydrophobicContact CD2-CB 4.15Å; A222-M272 HydrophobicContact CB-CE 4.44Å; F262-M272 HydrophobicContact CB-SD 4.4Å; F262-M272 HydrophobicContact CD1-CE 4.25Å; F262-M272 HydrophobicContact CD2-CE 3.56Å; F262-M272 HydrophobicContact CD2-SD 3.47Å; F262-M272 WeakPolarHBondContact CD2-SD 3.29Å; F262-M272 HydrophobicContact CE1-CE 4.17Å; F262-M272 HydrophobicContact CE2-CE 3.46Å; F262-M272 VanDerWaalsContact CE2-CE 3.46Å; F262-M272 HydrophobicContact CE2-SD 3.87Å; F262-M272 HydrophobicContact CG-CE 3.95Å; F262-M272 HydrophobicContact CG-SD 4.04Å; F262-M272 HydrophobicContact CZ-CE 3.77Å; L265-M272 HydrophobicContact CD2-CE 3.78Å; L267-M272 HydrophobicContact CB-CG 4.02Å; L267-M272 HydrophobicContact CB-SD 3.8Å; L267-M272 HydrophobicContact CD1-SD 4.16Å; L267-M272 HydrophobicContact CG-SD 4.32Å; S268-M272 PolarHBondContact O-N 3.12Å; H269-M272 WeakPolarHBondContact O-CA 3.29Å; H269-M272 WeakPolarHBondContact O-CB 3.45Å; H269-M272 PolarHBondContact O-N 3.45Å; M272-L275 PolarHBondContact O-N 3.42Å; M272-K276 WeakPolarHBondContact O-CB 3.26Å; M272-K276 PolarHBondContact O-N 3.08Å |
| 273 | I | 92.1 | Very high | 92.7 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.5 | -53.7 | 174.8 | -67.6 | 173.3 | 0 | 0 | 0 | 110.3 | D210 L218 H269 L275 K276 P277 | D210-I273 VanDerWaalsContact OD1-CG2 3.26Å; D210-I273 WeakPolarHBondContact OD1-CG2 3.48Å; L218-I273 HydrophobicContact CD1-CG1 4.07Å; H269-I273 WeakPolarHBondContact NE2-CD1 3.48Å; H269-I273 PolarHBondContact O-N 3.22Å; I273-L275 PolarHBondContact O-N 2.76Å; I273-K276 WeakPolarHBondContact O-CB 3.49Å; I273-K276 PolarHBondContact O-N 3.44Å; I273-K276 VanDerWaalsContact O-N 3.14Å; I273-P277 WeakPolarHBondContact O-CD 3.3Å |
| 274 | A | 89.8 | Confident | 92.4 | Very high | 57 Ų | 57 | 51.8 Ų | 51.8 | 47% | 0.471 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.4 | -32.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N270 I278 | N270-A274 WeakPolarHBondContact O-CB 3.43Å; N270-A274 PolarHBondContact O-N 3.4Å; A274-I278 WeakPolarHBondContact O-CD1 3.27Å |
| 275 | L | 92.6 | Very high | 92 | Very high | 19 Ų | 19 | 54.7 Ų | 54.7 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -85.3 | -23.8 | 178.6 | -70 | 175.3 | 0 | 0 | 0 | 114.1 | L254 T258 F262 L267 N271 M272 I273 I278 L279 | L254-L275 HydrophobicContact CD1-CD2 3.63Å; L254-L275 HydrophobicContact CD2-CD2 4.15Å; T258-L275 HydrophobicContact CG2-CD1 3.92Å; F262-L275 HydrophobicContact CD2-CB 3.78Å; F262-L275 HydrophobicContact CD2-CD1 4.06Å; F262-L275 HydrophobicContact CE2-CB 3.72Å; L267-L275 HydrophobicContact CD1-CD1 3.49Å; L267-L275 VanDerWaalsContact CD1-CD1 3.49Å; N271-L275 VanDerWaalsContact O-CB 3.3Å; N271-L275 WeakPolarHBondContact O-CB 3.38Å; N271-L275 WeakPolarHBondContact O-CG 3.21Å; N271-L275 PolarHBondContact O-N 2.79Å; N271-L275 VanDerWaalsContact O-N 3.08Å; M272-L275 PolarHBondContact O-N 3.42Å; I273-L275 PolarHBondContact O-N 2.76Å; L275-I278 HydrophobicContact CD2-CD1 4.36Å; L275-I278 PolarHBondContact O-N 3.14Å; L275-L279 HydrophobicContact CB-CD1 4.19Å; L275-L279 WeakPolarHBondContact O-CB 3.17Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 3.36Å |
| 276 | K | 92.9 | Very high | 91.8 | Very high | 22 Ų | 22 | 52 Ų | 52 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -51.8 | -55.4 | -179.9 | -174 | -169.8 | -179 | -171.4 | 0 | 112.9 | T213 E217 L218 F221 M272 I273 I278 L279 Q280 | T213-K276 HydrophobicContact CG2-CD 4.29Å; E217-K276 IonicContact OE1-NZ 3.83Å; E217-K276 PolarHBondContact OE1-NZ 3.12Å; E217-K276 IonicContact OE2-NZ 3.29Å; E217-K276 PolarHBondContact OE2-NZ 3.48Å; L218-K276 HydrophobicContact CD2-CB 4.12Å; L218-K276 HydrophobicContact CD2-CD 3.86Å; L218-K276 HydrophobicContact CD2-CG 4.24Å; F221-K276 HydrophobicContact CD1-CG 4.03Å; F221-K276 HydrophobicContact CD2-CG 4.45Å; F221-K276 HydrophobicContact CE1-CG 4.21Å; F221-K276 HydrophobicContact CG-CG 4.17Å; F221-K276 HydrophobicContact CZ-CG 4.5Å; M272-K276 WeakPolarHBondContact O-CB 3.26Å; M272-K276 PolarHBondContact O-N 3.08Å; I273-K276 WeakPolarHBondContact O-CB 3.49Å; I273-K276 PolarHBondContact O-N 3.44Å; I273-K276 VanDerWaalsContact O-N 3.14Å; K276-I278 PolarHBondContact O-N 3.34Å; K276-L279 PolarHBondContact O-N 3.02Å; K276-Q280 VanDerWaalsContact O-CB 3.26Å; K276-Q280 WeakPolarHBondContact O-CB 3.35Å; K276-Q280 PolarHBondContact O-N 3.16Å |
| 277 | P | 90.8 | Very high | 91.5 | Very high | 65 Ų | 65 | 49.3 Ų | 49.3 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.8 | -35.7 | -177.3 | 26.7 | -34.2 | 0 | 0 | 0 | 112.6 | I273 Q280 A281 | I273-P277 WeakPolarHBondContact O-CD 3.3Å; P277-Q280 PolarHBondContact O-N 3.19Å; P277-A281 WeakPolarHBondContact O-CB 3.21Å; P277-A281 PolarHBondContact O-N 3.36Å |
| 278 | I | 91.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 48.2 Ų | 48.2 | 14% | 0.138 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 177.8 | -63 | 169.1 | 0 | 0 | 0 | 110.6 | L243 V251 A274 L275 K276 Q280 W282 | L243-I278 HydrophobicContact CD1-CG2 4.43Å; L243-I278 HydrophobicContact CD2-CG2 3.63Å; V251-I278 HydrophobicContact CB-CD1 4.48Å; V251-I278 HydrophobicContact CG1-CD1 3.97Å; V251-I278 HydrophobicContact CG1-CG2 3.92Å; V251-I278 HydrophobicContact CG2-CD1 3.6Å; V251-I278 HydrophobicContact CG2-CG1 4.08Å; A274-I278 WeakPolarHBondContact O-CD1 3.27Å; L275-I278 HydrophobicContact CD2-CD1 4.36Å; L275-I278 PolarHBondContact O-N 3.14Å; K276-I278 PolarHBondContact O-N 3.34Å; I278-Q280 VanDerWaalsContact C-N 3.35Å; I278-W282 PolarHBondContact O-N 2.93Å |
| 279 | L | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.3 | -29.4 | -180 | -66 | 176.8 | 0 | 0 | 0 | 112.1 | F221 F225 V239 L243 L254 I259 F262 L275 K276 L283 | F221-L279 HydrophobicContact CE1-CB 4.15Å; F221-L279 HydrophobicContact CZ-CB 4.16Å; F225-L279 HydrophobicContact CD2-CB 4.03Å; F225-L279 HydrophobicContact CE2-CB 3.73Å; F225-L279 HydrophobicContact CE2-CD2 4.09Å; F225-L279 HydrophobicContact CE2-CG 4.38Å; F225-L279 WeakPolarHBondContact CE2-O 3.24Å; F225-L279 HydrophobicContact CZ-CB 4.33Å; F225-L279 HydrophobicContact CZ-CD2 3.89Å; V239-L279 HydrophobicContact CG1-CD2 4.21Å; L243-L279 HydrophobicContact CD1-CD2 3.88Å; L254-L279 HydrophobicContact CD1-CD2 4.31Å; I259-L279 HydrophobicContact CD1-CD2 3.7Å; F262-L279 HydrophobicContact CB-CD1 4.35Å; F262-L279 HydrophobicContact CD1-CD1 3.48Å; F262-L279 VanDerWaalsContact CD1-CD1 3.48Å; F262-L279 HydrophobicContact CD2-CD1 3.67Å; F262-L279 HydrophobicContact CE1-CD1 3.57Å; F262-L279 HydrophobicContact CE2-CD1 3.74Å; F262-L279 HydrophobicContact CG-CD1 3.55Å; F262-L279 HydrophobicContact CZ-CD1 3.7Å; L275-L279 HydrophobicContact CB-CD1 4.19Å; L275-L279 WeakPolarHBondContact O-CB 3.17Å; L275-L279 VanDerWaalsContact O-CG 3.3Å; L275-L279 WeakPolarHBondContact O-CG 3.47Å; L275-L279 PolarHBondContact O-N 3.36Å; K276-L279 PolarHBondContact O-N 3.02Å; L279-L283 VanDerWaalsContact O-CB 3.28Å; L279-L283 WeakPolarHBondContact O-CB 3.47Å; L279-L283 PolarHBondContact O-N 3.11Å |
| 280 | Q | 93.2 | Very high | 90.7 | Very high | 69 Ų | 69 | 46.3 Ų | 46.3 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.9 | -49.5 | 174.2 | -178.2 | 169 | -25.9 | 0 | 0 | 111.3 | F221 K276 P277 I278 W282 L283 E284 | F221-Q280 HydrophobicContact CE2-CB 3.7Å; F221-Q280 HydrophobicContact CE2-CG 4.12Å; F221-Q280 HydrophobicContact CZ-CB 3.83Å; K276-Q280 VanDerWaalsContact O-CB 3.26Å; K276-Q280 WeakPolarHBondContact O-CB 3.35Å; K276-Q280 PolarHBondContact O-N 3.16Å; P277-Q280 PolarHBondContact O-N 3.19Å; I278-Q280 VanDerWaalsContact C-N 3.35Å; Q280-W282 VanDerWaalsContact C-N 3.35Å; Q280-W282 PolarHBondContact O-N 3.02Å; Q280-L283 WeakPolarHBondContact O-CB 3.4Å; Q280-L283 PolarHBondContact O-N 2.85Å; Q280-E284 HydrophobicContact CG-CG 4.44Å; Q280-E284 WeakPolarHBondContact CG-OE1 3.3Å; Q280-E284 PolarHBondContact NE2-OE1 2.65Å; Q280-E284 WeakPolarHBondContact O-CG 3.34Å; Q280-E284 PolarHBondContact O-N 2.97Å |
| 281 | A | 90.7 | Very high | 90.4 | Very high | 45 Ų | 45 | 48.4 Ų | 48.4 | 37% | 0.372 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P277 L283 E284 E285 | P277-A281 WeakPolarHBondContact O-CB 3.21Å; P277-A281 PolarHBondContact O-N 3.36Å; A281-L283 VanDerWaalsContact C-N 3.31Å; A281-L283 PolarHBondContact O-N 2.98Å; A281-E284 PolarHBondContact O-N 2.73Å; A281-E285 WeakPolarHBondContact O-CB 3.42Å; A281-E285 PolarHBondContact O-N 3.28Å; A281-E285 VanDerWaalsContact O-N 3.15Å |
| 282 | W | 92.3 | Very high | 89.8 | Confident | 16 Ų | 16 | 50.8 Ų | 50.8 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 173.3 | 175.2 | 88.5 | 0 | 0 | 0 | 112.6 | F225 R229 L232 V234 V239 L243 L246 I278 Q280 A286 | F225-W282 AromaticContact CE2-CE3 3.71Å; F225-W282 HydrophobicContact CE2-CE3 3.71Å; F225-W282 AromaticContact CE2-CZ3 3.95Å; F225-W282 HydrophobicContact CE2-CZ3 3.95Å; F225-W282 HydrophobicContact CZ-CE3 4.07Å; F225-W282 HydrophobicContact CZ-CZ3 4.09Å; R229-W282 HydrophobicContact CB-CZ3 4.44Å; R229-W282 HydrophobicContact CG-CH2 4.16Å; R229-W282 HydrophobicContact CG-CZ3 4.4Å; L232-W282 HydrophobicContact CD1-CH2 4.44Å; V234-W282 HydrophobicContact CB-CH2 4.24Å; V234-W282 HydrophobicContact CB-CZ2 4.47Å; V234-W282 HydrophobicContact CG1-CH2 4Å; V234-W282 HydrophobicContact CG1-CZ2 3.86Å; V234-W282 HydrophobicContact CG2-CH2 4.33Å; V234-W282 HydrophobicContact CG2-CZ2 4.4Å; V239-W282 HydrophobicContact CG1-CD2 4.28Å; V239-W282 HydrophobicContact CG1-CE3 4.4Å; V239-W282 HydrophobicContact CG2-CE3 4.49Å; V239-W282 HydrophobicContact CG2-CH2 3.72Å; V239-W282 HydrophobicContact CG2-CZ2 3.88Å; V239-W282 HydrophobicContact CG2-CZ3 4.02Å; L243-W282 HydrophobicContact CD2-CB 3.68Å; L243-W282 HydrophobicContact CD2-CG 4.15Å; L243-W282 HydrophobicContact CG-CB 4.42Å; L243-W282 HydrophobicContact CG-CG 4.39Å; L246-W282 HydrophobicContact CD1-CB 3.81Å; L246-W282 HydrophobicContact CD1-CG 4.12Å; I278-W282 PolarHBondContact O-N 2.93Å; Q280-W282 VanDerWaalsContact C-N 3.35Å; Q280-W282 PolarHBondContact O-N 3.02Å; W282-A286 HydrophobicContact CD2-CB 4.5Å; W282-A286 HydrophobicContact CH2-CB 4.05Å; W282-A286 HydrophobicContact CZ2-CB 3.95Å; W282-A286 HydrophobicContact CZ3-CB 4.38Å; W282-A286 VanDerWaalsContact O-CB 3.27Å; W282-A286 WeakPolarHBondContact O-CB 3.4Å; W282-A286 PolarHBondContact O-N 3.43Å |
| 283 | L | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.5 | -45.2 | -178.1 | -172.8 | 66.8 | 0 | 0 | 0 | 111.2 | F225 R228 L232 L279 Q280 A281 E285 A286 E287 | F225-L283 HydrophobicContact CB-CD2 4.49Å; F225-L283 HydrophobicContact CD2-CB 4.24Å; F225-L283 HydrophobicContact CD2-CD1 4.36Å; F225-L283 HydrophobicContact CD2-CD2 4.09Å; F225-L283 HydrophobicContact CD2-CG 4.48Å; F225-L283 HydrophobicContact CE2-CB 4.4Å; R228-L283 HydrophobicContact CB-CD1 3.98Å; R228-L283 HydrophobicContact CB-CD2 4.47Å; R228-L283 HydrophobicContact CG-CD1 3.82Å; R228-L283 HydrophobicContact CG-CG 4.47Å; L232-L283 HydrophobicContact CD1-CD1 4.05Å; L279-L283 VanDerWaalsContact O-CB 3.28Å; L279-L283 WeakPolarHBondContact O-CB 3.47Å; L279-L283 PolarHBondContact O-N 3.11Å; Q280-L283 WeakPolarHBondContact O-CB 3.4Å; Q280-L283 PolarHBondContact O-N 2.85Å; A281-L283 VanDerWaalsContact C-N 3.31Å; A281-L283 PolarHBondContact O-N 2.98Å; L283-E285 PolarHBondContact O-N 3.37Å; L283-A286 PolarHBondContact O-N 2.97Å; L283-E287 HydrophobicContact CG-CG 4.41Å; L283-E287 WeakPolarHBondContact O-CB 3.32Å; L283-E287 VanDerWaalsContact O-CG 3.26Å; L283-E287 WeakPolarHBondContact O-CG 3.49Å; L283-E287 PolarHBondContact O-N 3.1Å |
| 284 | E | 91.1 | Very high | 87.5 | Confident | 103 Ų | 103 | 63.7 Ų | 63.7 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 177.9 | -72.2 | 172.8 | -165 | 0 | 0 | 111.6 | Q280 A281 E287 G288 | Q280-E284 HydrophobicContact CG-CG 4.44Å; Q280-E284 WeakPolarHBondContact CG-OE1 3.3Å; Q280-E284 PolarHBondContact NE2-OE1 2.65Å; Q280-E284 WeakPolarHBondContact O-CG 3.34Å; Q280-E284 PolarHBondContact O-N 2.97Å; A281-E284 PolarHBondContact O-N 2.73Å; E284-E287 PolarHBondContact O-N 3.35Å; E284-G288 PolarHBondContact O-N 3.39Å |
| 285 | E | 88.8 | Confident | 86.4 | Confident | 122 Ų | 122 | 65.4 Ų | 65.4 | 57% | 0.57 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.2 | -48.2 | 173.9 | -176.9 | 59.3 | -148.9 | 0 | 0 | 111.8 | L246 A281 L283 E287 G288 A289 | L246-E285 HydrophobicContact CD2-CG 4.36Å; A281-E285 WeakPolarHBondContact O-CB 3.42Å; A281-E285 PolarHBondContact O-N 3.28Å; A281-E285 VanDerWaalsContact O-N 3.15Å; L283-E285 PolarHBondContact O-N 3.37Å; E285-E287 VanDerWaalsContact C-N 3.32Å; E285-E287 PolarHBondContact O-N 3.16Å; E285-G288 PolarHBondContact O-N 2.86Å; E285-G288 VanDerWaalsContact O-N 3.14Å; E285-A289 PolarHBondContact O-N 3.37Å |
| 286 | A | 89.6 | Confident | 84.6 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 17% | 0.165 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.1 | -32.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L232 W282 L283 Q290 | L232-A286 HydrophobicContact CD1-CB 3.98Å; W282-A286 HydrophobicContact CD2-CB 4.5Å; W282-A286 HydrophobicContact CH2-CB 4.05Å; W282-A286 HydrophobicContact CZ2-CB 3.95Å; W282-A286 HydrophobicContact CZ3-CB 4.38Å; W282-A286 VanDerWaalsContact O-CB 3.27Å; W282-A286 WeakPolarHBondContact O-CB 3.4Å; W282-A286 PolarHBondContact O-N 3.43Å; L283-A286 PolarHBondContact O-N 2.97Å; A286-Q290 WeakPolarHBondContact O-CG 3.47Å; A286-Q290 PolarHBondContact O-N 3.43Å |
| 287 | E | 90.6 | Very high | 82.6 | Confident | 33 Ų | 33 | 77.2 Ų | 77.2 | 15% | 0.154 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.1 | -37.8 | 170.9 | -72 | -161 | 83.2 | 0 | 0 | 112.2 | R224 R228 L283 E284 E285 R291 | R224-E287 IonicContact CZ-OE2 3.1Å; R224-E287 IonicContact NH1-OE2 2.73Å; R224-E287 IonicContact NH2-OE2 3.02Å; R224-E287 PolarHBondContact NH2-OE2 3.06Å; R228-E287 HydrophobicContact CG-CG 3.89Å; R228-E287 IonicContact CZ-OE1 2.76Å; R228-E287 VanDerWaalsContact NE-CD 3.31Å; R228-E287 IonicContact NE-OE1 2.75Å; R228-E287 PolarHBondContact NE-OE1 3.05Å; R228-E287 IonicContact NH2-OE1 2.68Å; R228-E287 PolarHBondContact NH2-OE1 3.09Å; L283-E287 HydrophobicContact CG-CG 4.41Å; L283-E287 WeakPolarHBondContact O-CB 3.32Å; L283-E287 VanDerWaalsContact O-CG 3.26Å; L283-E287 WeakPolarHBondContact O-CG 3.49Å; L283-E287 PolarHBondContact O-N 3.1Å; E284-E287 PolarHBondContact O-N 3.35Å; E285-E287 VanDerWaalsContact C-N 3.32Å; E285-E287 PolarHBondContact O-N 3.16Å; E287-R291 WeakPolarHBondContact O-CB 3.47Å; E287-R291 PolarHBondContact O-N 3.37Å |
| 288 | G | 87.3 | Confident | 80.3 | Confident | 12 Ų | 12 | 80.6 Ų | 80.6 | 12% | 0.124 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.2 | -57.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E284 E285 Q290 R291 E292 | E284-G288 PolarHBondContact O-N 3.39Å; E285-G288 PolarHBondContact O-N 2.86Å; E285-G288 VanDerWaalsContact O-N 3.14Å; G288-Q290 PolarHBondContact O-N 3.28Å; G288-Q290 VanDerWaalsContact O-N 3.15Å; G288-R291 WeakPolarHBondContact O-CA 3.42Å; G288-R291 WeakPolarHBondContact O-CB 3.45Å; G288-R291 PolarHBondContact O-N 3.4Å; G288-E292 PolarHBondContact O-N 3.29Å |
| 289 | A | 85.9 | Confident | 78.5 | Confident | 36 Ų | 36 | 86.3 Ų | 86.3 | 30% | 0.298 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.3 | -30 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E285 K293 | E285-A289 PolarHBondContact O-N 3.37Å; A289-K293 WeakPolarHBondContact O-CD 3.23Å; A289-K293 VanDerWaalsContact O-CG 3.23Å; A289-K293 WeakPolarHBondContact O-CG 3.07Å; A289-K293 PolarHBondContact O-N 2.81Å |
| 290 | Q | 83.1 | Confident | 75.8 | Confident | 77 Ų | 77 | 95.9 Ų | 95.9 | 36% | 0.36 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -79.4 | -31 | 173.9 | -77 | -74.5 | -29 | 0 | 0 | 113.3 | L232 A286 G288 M294 | L232-Q290 HydrophobicContact CD2-CB 3.97Å; L232-Q290 HydrophobicContact CD2-CG 3.6Å; A286-Q290 WeakPolarHBondContact O-CG 3.47Å; A286-Q290 PolarHBondContact O-N 3.43Å; G288-Q290 PolarHBondContact O-N 3.28Å; G288-Q290 VanDerWaalsContact O-N 3.15Å; Q290-M294 PolarHBondContact O-N 3.31Å |
| 291 | R | 83.3 | Confident | 73.5 | Confident | 170 Ų | 170 | 100.1 Ų | 100.1 | 64% | 0.642 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.1 | -42.4 | 172.3 | -177.9 | 174.1 | 62.3 | -101.6 | 1 | 111.1 | E287 G288 M294 S295 | E287-R291 WeakPolarHBondContact O-CB 3.47Å; E287-R291 PolarHBondContact O-N 3.37Å; G288-R291 WeakPolarHBondContact O-CA 3.42Å; G288-R291 WeakPolarHBondContact O-CB 3.45Å; G288-R291 PolarHBondContact O-N 3.4Å; R291-M294 PolarHBondContact O-N 2.98Å; R291-S295 WeakPolarHBondContact O-CB 3.46Å; R291-S295 PolarHBondContact O-N 3.35Å |
| 292 | E | 79.3 | Confident | 71 | Confident | 138 Ų | 138 | 101.3 Ų | 101.3 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 175.2 | -67.5 | -166.4 | 164.7 | 0 | 0 | 112.5 | G288 M294 S295 K296 | G288-E292 PolarHBondContact O-N 3.29Å; E292-M294 VanDerWaalsContact C-N 3.25Å; E292-M294 PolarHBondContact O-N 2.79Å; E292-S295 PolarHBondContact O-N 3.14Å; E292-K296 PolarHBondContact O-N 2.84Å |
| 293 | K | 71.7 | Confident | 68.8 | Low | 148 Ų | 148 | 104 Ų | 104 | 64% | 0.643 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.1 | -31.6 | 174.7 | -74.8 | 172.3 | -176.2 | -172.8 | 0 | 113.4 | A289 | A289-K293 WeakPolarHBondContact O-CD 3.23Å; A289-K293 VanDerWaalsContact O-CG 3.23Å; A289-K293 WeakPolarHBondContact O-CG 3.07Å; A289-K293 PolarHBondContact O-N 2.81Å |
| 294 | M | 64.8 | Low | 66.2 | Low | 159 Ų | 159 | 113.2 Ų | 113.2 | 78% | 0.783 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -81.1 | -22.3 | 175.2 | -161.2 | 67.9 | 67.7 | 0 | 0 | 112.6 | Q290 R291 E292 | Q290-M294 PolarHBondContact O-N 3.31Å; R291-M294 PolarHBondContact O-N 2.98Å; E292-M294 VanDerWaalsContact C-N 3.25Å; E292-M294 PolarHBondContact O-N 2.79Å |
| 295 | S | 67.2 | Low | 64.4 | Low | 92 Ų | 92 | 117.9 Ų | 117.9 | 64% | 0.643 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -88 | -5.8 | -174.9 | -167.8 | 0 | 0 | 0 | 0 | 114.5 | R291 E292 | R291-S295 WeakPolarHBondContact O-CB 3.46Å; R291-S295 PolarHBondContact O-N 3.35Å; E292-S295 PolarHBondContact O-N 3.14Å |
| 296 | K | 54.6 | Low | 62.7 | Low | 172 Ų | 172 | 120.3 Ų | 120.3 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | trans | -116.8 | 92.1 | 175.5 | -75.8 | -178.2 | 176.8 | 173.4 | 0 | 110.5 | E292 D298 | E292-K296 PolarHBondContact O-N 2.84Å; K296-D298 VanDerWaalsContact C-N 3.25Å; K296-D298 PolarHBondContact O-N 3.1Å | ||
| 297 | P | 51 | Low | 60.9 | Low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 66% | 0.664 | S | S | * | * | trans | -86.3 | 55.7 | -176.2 | 37.4 | -36.7 | 0 | 0 | 0 | 112.2 | ||||
| 298 | D | 43.3 | Very low | 58.8 | Low | 136 Ų | 136 | 138.8 Ų | 138.8 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | trans | -120.3 | 97.5 | 175.7 | -82.7 | -59 | 0 | 0 | 0 | 112.2 | K296 | K296-D298 VanDerWaalsContact C-N 3.25Å; K296-D298 PolarHBondContact O-N 3.1Å | ||
| 299 | I | 53.1 | Low | 57 | Low | 147 Ų | 147 | 149.6 Ų | 149.6 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | 47.5 | 85.5 | 144.1 | -43.8 | 166 | 0 | 0 | 0 | 116.4 | ||||
| 300 | F | 37.8 | Very low | 56 | Low | 200 Ų | 200 | 151.7 Ų | 151.7 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | -164.4 | 131.9 | 125.1 | -131.1 | -106.9 | 0 | 0 | 0 | 114.7 | |||||
| 301 | N | 44.2 | Very low | 54.9 | Low | 158 Ų | 158 | 153.2 Ų | 153.2 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | -72.6 | 140.8 | 164.6 | -95.6 | 5.2 | 0 | 0 | 0 | 110.5 | ||||
| 302 | G | 38.7 | Very low | 54.4 | Low | 71 Ų | 71 | 147.1 Ų | 147.1 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | trans | -169.7 | 38 | -178.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | E304 | G302-E304 PolarHBondContact O-N 3.33Å; G302-E304 VanDerWaalsContact O-N 3.14Å | ||
| 303 | G | 45.2 | Very low | 54.4 | Low | 73 Ų | 73 | 142.9 Ų | 142.9 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | trans | -21.3 | 101.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | K305 | G303-K305 PolarHBondContact O-N 3.17Å; G303-K305 VanDerWaalsContact O-N 3.14Å | ||
| 304 | E | 40.3 | Very low | 54.7 | Low | 193 Ų | 193 | 139.3 Ų | 139.3 | 90% | 0.902 | 73% | 0.729 | S | S | * | * | trans | -66.6 | 108.9 | 169.1 | -66.6 | -174.9 | 103.2 | 0 | 0 | 110.4 | G302 K306 | G302-E304 PolarHBondContact O-N 3.33Å; G302-E304 VanDerWaalsContact O-N 3.14Å; E304-K306 VanDerWaalsContact C-N 3.27Å; E304-K306 PolarHBondContact O-N 2.96Å | ||
| 305 | K | 53 | Low | 55.4 | Low | 201 Ų | 201 | 135.2 Ų | 135.2 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | trans | -68.9 | 78.4 | -177.5 | -74 | -173.8 | 173.4 | 75 | 0 | 112.1 | G303 R307 | G303-K305 PolarHBondContact O-N 3.17Å; G303-K305 VanDerWaalsContact O-N 3.14Å; K305-R307 PolarHBondContact O-N 2.99Å; K305-R307 VanDerWaalsContact O-N 3.08Å | ||
| 306 | K | 53.6 | Low | 56.4 | Low | 172 Ų | 172 | 133.3 Ų | 133.3 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | -49.5 | 110.9 | 168.9 | -153.3 | 167.6 | -166.2 | 164.8 | 0 | 109.5 | E304 K308 | E304-K306 VanDerWaalsContact C-N 3.27Å; E304-K306 PolarHBondContact O-N 2.96Å; K306-K308 PolarHBondContact O-N 3.33Å | ||
| 307 | R | 50.3 | Low | 58 | Low | 243 Ų | 243 | 130 Ų | 130 | 92% | 0.917 | 68% | 0.681 | S | S | * | * | trans | -61.1 | 104.1 | 174.7 | -76.5 | -178.2 | 177.4 | 162.9 | 0.1 | 108.3 | K305 R309 | K305-R307 PolarHBondContact O-N 2.99Å; K305-R307 VanDerWaalsContact O-N 3.08Å; R307-R309 PolarHBondContact O-N 3.19Å | ||
| 308 | K | 46.9 | Very low | 59.9 | Low | 198 Ų | 198 | 132.9 Ų | 132.9 | 86% | 0.861 | 68% | 0.676 | S | S | * | * | trans | -58.5 | 125.8 | -177.3 | -68.7 | -176.8 | 178.1 | -179.1 | 0 | 109.6 | K306 T310 | K306-K308 PolarHBondContact O-N 3.33Å; K308-T310 PolarHBondContact O-N 2.97Å | ||
| 309 | R | 50.4 | Low | 62.2 | Low | 240 Ų | 240 | 128.4 Ų | 128.4 | 91% | 0.906 | 66% | 0.656 | S | S | * | * | trans | -53.7 | 125.6 | 166 | -178.4 | -177.8 | -173.6 | -178.3 | 3.1 | 107.7 | R307 S311 | R307-R309 PolarHBondContact O-N 3.19Å; R309-S311 PolarHBondContact O-N 3.5Å | ||
| 310 | T | 63.9 | Low | 64.1 | Low | 79 Ų | 79 | 121.4 Ų | 121.4 | 49% | 0.485 | 62% | 0.62 | S | S | . | * | trans | -63.8 | 105.2 | 173.6 | -51.4 | 0 | 0 | 0 | 0 | 108.4 | K308 I312 | K308-T310 PolarHBondContact O-N 2.97Å; T310-I312 PolarHBondContact O-N 2.92Å | ||
| 311 | S | 60.3 | Low | 66.7 | Low | 109 Ų | 109 | 115.2 Ų | 115.2 | 76% | 0.762 | 59% | 0.594 | S | S | * | * | trans | -72.7 | 118.9 | 167.7 | -165.2 | 0 | 0 | 0 | 0 | 107.2 | R309 | R309-S311 PolarHBondContact O-N 3.5Š| ||
| 312 | I | 73.4 | Confident | 69 | Low | 42 Ų | 42 | 110.7 Ų | 110.7 | 22% | 0.215 | 58% | 0.578 | C | S | . | * | trans | -77.7 | 123.8 | 166.2 | -57.2 | 173.2 | 0 | 0 | 0 | 104.9 | T310 E316 K317 L320 L344 V348 W352 | T310-I312 PolarHBondContact O-N 2.92Å; I312-E316 HydrophobicContact CG2-CB 3.8Å; I312-K317 HydrophobicContact CG2-CB 4.25Å; I312-L320 HydrophobicContact CD1-CD1 4.2Å; I312-L320 HydrophobicContact CG2-CD1 4.22Å; I312-L344 HydrophobicContact CG2-CD1 4.23Å; I312-V348 HydrophobicContact CD1-CG1 3.78Å; I312-V348 HydrophobicContact CG1-CG1 3.98Å; I312-W352 HydrophobicContact CD1-CG 4.37Å | ||
| 313 | A | 79.4 | Confident | 71.6 | Confident | 50 Ų | 50 | 110.1 Ų | 110.1 | 41% | 0.413 | 55% | 0.554 | S | S | . | * | trans | -75.5 | 174.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111 | E316 K317 | A313-E316 WeakPolarHBondContact CA-OE2 3.49Å; A313-E316 WeakPolarHBondContact CB-OE2 3.25Å; A313-E316 PolarHBondContact N-OE2 3.5Å; A313-K317 WeakPolarHBondContact O-CB 3.26Å; A313-K317 PolarHBondContact O-N 2.8Å; A313-K317 VanDerWaalsContact O-N 3.1Å | ||
| 314 | A | 77.6 | Confident | 73.9 | Confident | 72 Ų | 72 | 107.1 Ų | 107.1 | 60% | 0.595 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | R318 | A314-R318 PolarHBondContact O-N 3.39Å; A314-R318 VanDerWaalsContact O-N 3.07Å |
| 315 | P | 79.4 | Confident | 76.4 | Confident | 74 Ų | 74 | 102 Ų | 102 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.2 | -36.1 | -177.5 | 26.9 | -32.3 | 0 | 0 | 0 | 113.2 | R318 S319 | P315-R318 PolarHBondContact O-N 3.03Å; P315-S319 WeakPolarHBondContact O-CB 3.36Å; P315-S319 PolarHBondContact O-N 3.32Å; P315-S319 PolarHBondContact O-OG 2.89Å |
| 316 | E | 87.9 | Confident | 78.3 | Confident | 51 Ų | 51 | 98.6 Ų | 98.6 | 24% | 0.238 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -70.8 | -38.1 | 177 | -49.2 | 81 | 173.1 | 0 | 0 | 110.2 | I312 A313 S319 L320 L342 L344 | I312-E316 HydrophobicContact CG2-CB 3.8Å; A313-E316 WeakPolarHBondContact CA-OE2 3.49Å; A313-E316 WeakPolarHBondContact CB-OE2 3.25Å; A313-E316 PolarHBondContact N-OE2 3.5Å; E316-S319 PolarHBondContact O-N 3.46Å; E316-L320 WeakPolarHBondContact O-CB 3.49Å; E316-L320 VanDerWaalsContact O-CG 3.27Å; E316-L320 WeakPolarHBondContact O-CG 3.41Å; E316-L320 PolarHBondContact O-N 3.24Å; E316-L342 HydrophobicContact CB-CB 4.49Å; E316-L342 HydrophobicContact CG-CB 4.45Å; E316-L344 HydrophobicContact CB-CD1 4.22Å |
| 317 | K | 89.2 | Confident | 79.9 | Confident | 102 Ų | 102 | 94.4 Ų | 94.4 | 44% | 0.443 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59 | -49.2 | 172.1 | -176 | -166.2 | 165.7 | -158.1 | 0 | 111.1 | I312 A313 S319 L320 E321 | I312-K317 HydrophobicContact CG2-CB 4.25Å; A313-K317 WeakPolarHBondContact O-CB 3.26Å; A313-K317 PolarHBondContact O-N 2.8Å; A313-K317 VanDerWaalsContact O-N 3.1Å; K317-S319 VanDerWaalsContact C-N 3.3Å; K317-S319 PolarHBondContact O-N 2.87Å; K317-L320 PolarHBondContact O-N 3.38Å; K317-E321 WeakPolarHBondContact CE-OE1 3.41Å; K317-E321 IonicContact NZ-OE1 3.39Å; K317-E321 WeakPolarHBondContact O-CG 3.24Å; K317-E321 PolarHBondContact O-N 3.29Å |
| 318 | R | 89.1 | Confident | 81.7 | Confident | 179 Ų | 179 | 85.2 Ų | 85.2 | 68% | 0.675 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -59.4 | -42 | 177.5 | -174.7 | -176.8 | -69.4 | 128.9 | -5.4 | 111.4 | A314 P315 E321 A322 | A314-R318 PolarHBondContact O-N 3.39Å; A314-R318 VanDerWaalsContact O-N 3.07Å; P315-R318 PolarHBondContact O-N 3.03Å; R318-E321 PolarHBondContact O-N 2.86Å; R318-A322 PolarHBondContact O-N 3.27Å |
| 319 | S | 92 | Very high | 83.9 | Confident | 42 Ų | 42 | 85 Ų | 85 | 29% | 0.294 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 177.2 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | P315 E316 K317 E321 A322 Y323 | P315-S319 WeakPolarHBondContact O-CB 3.36Å; P315-S319 PolarHBondContact O-N 3.32Å; P315-S319 PolarHBondContact O-OG 2.89Å; E316-S319 PolarHBondContact O-N 3.46Å; K317-S319 VanDerWaalsContact C-N 3.3Å; K317-S319 PolarHBondContact O-N 2.87Å; S319-E321 VanDerWaalsContact C-N 3.33Å; S319-E321 PolarHBondContact O-N 3.48Å; S319-A322 PolarHBondContact O-N 3.27Å; S319-Y323 WeakPolarHBondContact O-CD2 3.37Å; S319-Y323 PolarHBondContact O-N 2.98Å |
| 320 | L | 93.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.5 | -39.1 | 174.2 | -72.9 | 168 | 0 | 0 | 0 | 112 | I312 E316 K317 Y323 F324 I338 L342 L344 V349 W352 F353 | I312-L320 HydrophobicContact CD1-CD1 4.2Å; I312-L320 HydrophobicContact CG2-CD1 4.22Å; E316-L320 WeakPolarHBondContact O-CB 3.49Å; E316-L320 VanDerWaalsContact O-CG 3.27Å; E316-L320 WeakPolarHBondContact O-CG 3.41Å; E316-L320 PolarHBondContact O-N 3.24Å; K317-L320 PolarHBondContact O-N 3.38Å; L320-Y323 PolarHBondContact O-N 3.4Å; L320-F324 VanDerWaalsContact O-CB 3.26Å; L320-F324 WeakPolarHBondContact O-CB 3.5Å; L320-F324 PolarHBondContact O-N 2.84Å; L320-I338 HydrophobicContact CD2-CG2 3.76Å; L320-L342 HydrophobicContact CD2-CD1 3.76Å; L320-L342 HydrophobicContact CG-CD1 3.71Å; L320-L344 HydrophobicContact CD1-CD1 4.01Å; L320-V349 HydrophobicContact CD2-CG1 3.95Å; L320-V349 HydrophobicContact CD2-CG2 4.37Å; L320-W352 HydrophobicContact CB-CD2 3.93Å; L320-W352 HydrophobicContact CB-CE3 3.88Å; L320-W352 HydrophobicContact CB-CH2 3.72Å; L320-W352 HydrophobicContact CB-CZ2 3.72Å; L320-W352 HydrophobicContact CB-CZ3 3.78Å; L320-W352 HydrophobicContact CD1-CD2 3.92Å; L320-W352 HydrophobicContact CD1-CE3 4.41Å; L320-W352 HydrophobicContact CD1-CG 3.93Å; L320-W352 HydrophobicContact CD2-CE3 4.22Å; L320-W352 HydrophobicContact CG-CD2 4.35Å; L320-W352 HydrophobicContact CG-CE3 4.4Å; L320-W352 VanDerWaalsContact O-CH2 3.28Å; L320-W352 WeakPolarHBondContact O-CH2 3.31Å; L320-W352 WeakPolarHBondContact O-CZ3 3.19Å; L320-F353 HydrophobicContact CD2-CE2 3.88Å |
| 321 | E | 92.6 | Very high | 87.3 | Confident | 71 Ų | 71 | 73.3 Ų | 73.3 | 33% | 0.332 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 175.1 | -70.8 | 175.2 | 161.1 | 0 | 0 | 111.9 | K317 R318 S319 F324 A325 W352 | K317-E321 WeakPolarHBondContact CE-OE1 3.41Å; K317-E321 IonicContact NZ-OE1 3.39Å; K317-E321 WeakPolarHBondContact O-CG 3.24Å; K317-E321 PolarHBondContact O-N 3.29Å; R318-E321 PolarHBondContact O-N 2.86Å; S319-E321 VanDerWaalsContact C-N 3.33Å; S319-E321 PolarHBondContact O-N 3.48Å; E321-F324 PolarHBondContact O-N 2.93Å; E321-A325 PolarHBondContact O-N 3.17Å; E321-W352 HydrophobicContact CG-CH2 4.02Å; E321-W352 HydrophobicContact CG-CZ2 3.69Å |
| 322 | A | 92.2 | Very high | 88.9 | Confident | 62 Ų | 62 | 71.9 Ų | 71.9 | 51% | 0.512 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.8 | -48.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | R318 S319 F324 A325 V326 | R318-A322 PolarHBondContact O-N 3.27Å; S319-A322 PolarHBondContact O-N 3.27Å; A322-F324 PolarHBondContact O-N 3.03Å; A322-A325 PolarHBondContact O-N 3.47Å; A322-V326 PolarHBondContact O-N 2.88Å |
| 323 | Y | 93.4 | Very high | 90 | Very high | 59 Ų | 59 | 77.4 Ų | 77.4 | 23% | 0.231 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.2 | -33.5 | 175.6 | -70.7 | -59.5 | 0 | 0 | 0 | 112.7 | S319 L320 V326 Q327 I338 K341 | S319-Y323 WeakPolarHBondContact O-CD2 3.37Å; S319-Y323 PolarHBondContact O-N 2.98Å; L320-Y323 PolarHBondContact O-N 3.4Å; Y323-V326 PolarHBondContact O-N 3.35Å; Y323-Q327 PolarHBondContact O-N 2.83Å; Y323-I338 HydrophobicContact CD1-CD1 4.2Å; Y323-I338 HydrophobicContact CD1-CG1 4.28Å; Y323-I338 HydrophobicContact CD2-CD1 4.17Å; Y323-I338 HydrophobicContact CD2-CG1 4Å; Y323-I338 HydrophobicContact CD2-CG2 3.91Å; Y323-I338 HydrophobicContact CE1-CG1 4.45Å; Y323-I338 HydrophobicContact CE2-CG1 4.18Å; Y323-I338 HydrophobicContact CE2-CG2 4.18Å; Y323-I338 HydrophobicContact CG-CD1 3.86Å; Y323-I338 HydrophobicContact CG-CG1 4.08Å; Y323-K341 WeakPolarHBondContact OH-CD 3.34Å; Y323-K341 WeakPolarHBondContact OH-CE 3.44Å; Y323-K341 PolarHBondContact OH-NZ 2.97Å |
| 324 | F | 94.1 | Very high | 90.6 | Very high | 11 Ų | 11 | 79.6 Ų | 79.6 | 5% | 0.048 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.9 | -33.7 | 178 | -176.7 | -102.7 | 0 | 0 | 0 | 113.5 | L320 E321 A322 V326 Q327 P328 W352 F353 Q356 R357 Q360 | L320-F324 VanDerWaalsContact O-CB 3.26Å; L320-F324 WeakPolarHBondContact O-CB 3.5Å; L320-F324 PolarHBondContact O-N 2.84Å; E321-F324 PolarHBondContact O-N 2.93Å; A322-F324 PolarHBondContact O-N 3.03Å; F324-V326 VanDerWaalsContact C-N 3.32Å; F324-Q327 CarbonylContact O-C 3.46Å; F324-P328 HydrophobicContact CD2-CB 4.27Å; F324-P328 HydrophobicContact CE2-CB 3.86Å; F324-P328 HydrophobicContact CZ-CB 4.19Å; F324-P328 WeakPolarHBondContact O-CD 3.23Å; F324-P328 WeakPolarHBondContact O-CG 3.46Å; F324-W352 HydrophobicContact CB-CH2 3.85Å; F324-W352 HydrophobicContact CB-CZ3 3.85Å; F324-W352 HydrophobicContact CD2-CZ3 4.24Å; F324-W352 HydrophobicContact CG-CH2 4.23Å; F324-W352 HydrophobicContact CG-CZ3 4.2Å; F324-F353 HydrophobicContact CB-CE1 3.99Å; F324-F353 AromaticContact CD2-CD1 3.71Å; F324-F353 HydrophobicContact CD2-CD1 3.71Å; F324-F353 AromaticContact CD2-CE1 3.9Å; F324-F353 HydrophobicContact CD2-CE1 3.9Å; F324-F353 HydrophobicContact CE2-CD1 4.5Å; F324-F353 HydrophobicContact CG-CE1 4.46Å; F324-Q356 HydrophobicContact CD1-CG 3.65Å; F324-Q356 HydrophobicContact CD2-CB 4.24Å; F324-Q356 HydrophobicContact CD2-CG 4.04Å; F324-Q356 HydrophobicContact CE1-CB 4.37Å; F324-Q356 HydrophobicContact CE1-CG 3.45Å; F324-Q356 VanDerWaalsContact CE1-CG 3.45Å; F324-Q356 HydrophobicContact CE2-CB 3.96Å; F324-Q356 HydrophobicContact CE2-CG 3.9Å; F324-Q356 HydrophobicContact CG-CG 3.93Å; F324-Q356 HydrophobicContact CZ-CB 4.03Å; F324-Q356 HydrophobicContact CZ-CG 3.6Å; F324-R357 HydrophobicContact CE2-CB 4.34Å; F324-Q360 HydrophobicContact CE1-CG 3.89Å; F324-Q360 HydrophobicContact CZ-CG 4.02Å |
| 325 | A | 91.6 | Very high | 91.4 | Very high | 84 Ų | 84 | 76.9 Ų | 76.9 | 69% | 0.694 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.5 | -39 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E321 A322 | E321-A325 PolarHBondContact O-N 3.17Å; A322-A325 PolarHBondContact O-N 3.47Å |
| 326 | V | 92.8 | Very high | 92.1 | Very high | 130 Ų | 130 | 75 Ų | 75 | 79% | 0.788 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -74.4 | -47 | 176.8 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | A322 Y323 F324 | A322-V326 PolarHBondContact O-N 2.88Å; Y323-V326 PolarHBondContact O-N 3.35Å; F324-V326 VanDerWaalsContact C-N 3.32Å |
| 327 | Q | 87.8 | Confident | 92.5 | Very high | 84 Ų | 84 | 74.9 Ų | 74.9 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | trans | -142.3 | 95.8 | -176.9 | -165.7 | -179.8 | 16 | 0 | 0 | 112 | Y323 F324 R329 P330 | Y323-Q327 PolarHBondContact O-N 2.83Å; F324-Q327 CarbonylContact O-C 3.46Å; Q327-R329 PolarHBondContact NE2-O 3.05Å; Q327-R329 PolarHBondContact O-N 3.14Å; Q327-R329 VanDerWaalsContact O-N 3.08Å; Q327-P330 WeakPolarHBondContact O-CD 3.2Å | ||
| 328 | P | 89.1 | Confident | 92.7 | Very high | 51 Ų | 51 | 70.3 Ų | 70.3 | 33% | 0.331 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -65.6 | -11 | 178.8 | -23.9 | 33.4 | 0 | 0 | 0 | 115.7 | F324 | F324-P328 HydrophobicContact CD2-CB 4.27Å; F324-P328 HydrophobicContact CE2-CB 3.86Å; F324-P328 HydrophobicContact CZ-CB 4.19Å; F324-P328 WeakPolarHBondContact O-CD 3.23Å; F324-P328 WeakPolarHBondContact O-CG 3.46Å |
| 329 | R | 92.4 | Very high | 92.9 | Very high | 194 Ų | 194 | 62 Ų | 62 | 73% | 0.732 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -135.3 | 72.1 | 179.4 | -60.7 | 179.9 | 82.8 | 167.4 | 3 | 110.2 | Q327 | Q327-R329 PolarHBondContact NE2-O 3.05Å; Q327-R329 PolarHBondContact O-N 3.14Å; Q327-R329 VanDerWaalsContact O-N 3.08Å |
| 330 | P | 91.9 | Very high | 93 | Very high | 17 Ų | 17 | 67.8 Ų | 67.8 | 11% | 0.11 | 38% | 0.375 | C | S | . | . | trans | -68.7 | 151.6 | 178.2 | 30 | -35.2 | 0 | 0 | 0 | 111.8 | Q327 K334 I335 F353 | Q327-P330 WeakPolarHBondContact O-CD 3.2Å; P330-K334 HydrophobicContact CB-CB 4.08Å; P330-K334 HydrophobicContact CB-CG 4.11Å; P330-I335 HydrophobicContact CB-CG1 4.01Å; P330-I335 HydrophobicContact CG-CD1 4.07Å; P330-I335 HydrophobicContact CG-CG1 3.63Å; P330-F353 VanDerWaalsContact CD-CD1 3.42Å; P330-F353 HydrophobicContact CG-CD1 3.56Å; P330-F353 HydrophobicContact CG-CD2 4.16Å; P330-F353 HydrophobicContact CG-CE1 3.62Å; P330-F353 HydrophobicContact CG-CE2 4.22Å; P330-F353 HydrophobicContact CG-CG 3.86Å; P330-F353 HydrophobicContact CG-CZ 3.97Å | ||
| 331 | S | 94.6 | Very high | 92.9 | Very high | 56 Ų | 56 | 75.1 Ų | 75.1 | 39% | 0.392 | 41% | 0.406 | S | S | . | . | trans | -69.3 | 163.9 | 175.5 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | E333 K334 I335 | S331-E333 PolarHBondContact O-N 3.08Å; S331-K334 PolarHBondContact O-N 3.33Å; S331-K334 WeakPolarHBondContact OG-CB 3.3Å; S331-K334 PolarHBondContact OG-N 3.01Å; S331-K334 VanDerWaalsContact OG-N 3.09Å; S331-I335 WeakPolarHBondContact O-CB 3.41Å; S331-I335 VanDerWaalsContact O-CG1 3.23Å; S331-I335 WeakPolarHBondContact O-CG1 3.35Å; S331-I335 PolarHBondContact O-N 3.33Å | ||
| 332 | S | 93.4 | Very high | 92.9 | Very high | 78 Ų | 78 | 72.8 Ų | 72.8 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.6 | -32.2 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 113 | A336 K346 | S332-A336 PolarHBondContact O-N 3.29Å; S332-K346 WeakPolarHBondContact O-CE 3.46Å; S332-K346 PolarHBondContact O-NZ 2.96Å; S332-K346 PolarHBondContact OG-NZ 3.34Å |
| 333 | E | 94.9 | Very high | 92.9 | Very high | 158 Ų | 158 | 77.2 Ų | 77.2 | 74% | 0.738 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -70.1 | -51.5 | 173.7 | -179 | -175.2 | -168.2 | 0 | 0 | 111.1 | S331 I335 A336 A337 | S331-E333 PolarHBondContact O-N 3.08Å; E333-I335 PolarHBondContact O-N 2.97Å; E333-A336 WeakPolarHBondContact O-CA 3.21Å; E333-A336 VanDerWaalsContact O-CB 3.28Å; E333-A336 WeakPolarHBondContact O-CB 3.3Å; E333-A336 PolarHBondContact O-N 3.2Å; E333-A337 PolarHBondContact O-N 2.87Å |
| 334 | K | 92.6 | Very high | 92.7 | Very high | 96 Ų | 96 | 75.6 Ų | 75.6 | 42% | 0.417 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61 | -34.7 | 177.7 | -166.3 | 66.9 | 172.1 | -173.9 | 0 | 112.2 | P330 S331 A336 A337 I338 | P330-K334 HydrophobicContact CB-CB 4.08Å; P330-K334 HydrophobicContact CB-CG 4.11Å; S331-K334 PolarHBondContact O-N 3.33Å; S331-K334 WeakPolarHBondContact OG-CB 3.3Å; S331-K334 PolarHBondContact OG-N 3.01Å; S331-K334 VanDerWaalsContact OG-N 3.09Å; K334-A336 VanDerWaalsContact C-N 3.31Å; K334-A336 PolarHBondContact O-N 3.29Å; K334-A337 PolarHBondContact O-N 3.25Å; K334-I338 HydrophobicContact CG-CD1 4.08Å; K334-I338 WeakPolarHBondContact O-CB 3.45Å; K334-I338 WeakPolarHBondContact O-CD1 3.32Å; K334-I338 VanDerWaalsContact O-CG1 3.24Å; K334-I338 WeakPolarHBondContact O-CG1 3.43Å; K334-I338 PolarHBondContact O-N 3.1Å |
| 335 | I | 94.6 | Very high | 92.6 | Very high | 15 Ų | 15 | 82.5 Ų | 82.5 | 8% | 0.077 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.7 | -33.3 | 172.1 | -68.3 | 168 | 0 | 0 | 0 | 111.7 | P330 S331 E333 A339 K346 V349 R350 | P330-I335 HydrophobicContact CB-CG1 4.01Å; P330-I335 HydrophobicContact CG-CD1 4.07Å; P330-I335 HydrophobicContact CG-CG1 3.63Å; S331-I335 WeakPolarHBondContact O-CB 3.41Å; S331-I335 VanDerWaalsContact O-CG1 3.23Å; S331-I335 WeakPolarHBondContact O-CG1 3.35Å; S331-I335 PolarHBondContact O-N 3.33Å; E333-I335 PolarHBondContact O-N 2.97Å; I335-A339 WeakPolarHBondContact O-CB 3.47Å; I335-A339 PolarHBondContact O-N 2.77Å; I335-A339 VanDerWaalsContact O-N 3.11Å; I335-K346 HydrophobicContact CG2-CG 3.96Å; I335-V349 HydrophobicContact CG2-CB 4.25Å; I335-V349 HydrophobicContact CG2-CG1 4.05Å; I335-R350 HydrophobicContact CD1-CG 4.17Å; I335-R350 HydrophobicContact CG2-CB 4.13Å |
| 336 | A | 95 | Very high | 92.6 | Very high | 34 Ų | 34 | 82.2 Ų | 82.2 | 28% | 0.281 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.6 | -48.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S332 E333 K334 I338 A339 E340 K346 | S332-A336 PolarHBondContact O-N 3.29Å; E333-A336 WeakPolarHBondContact O-CA 3.21Å; E333-A336 VanDerWaalsContact O-CB 3.28Å; E333-A336 WeakPolarHBondContact O-CB 3.3Å; E333-A336 PolarHBondContact O-N 3.2Å; K334-A336 VanDerWaalsContact C-N 3.31Å; K334-A336 PolarHBondContact O-N 3.29Å; A336-I338 VanDerWaalsContact C-N 3.34Å; A336-I338 PolarHBondContact O-N 2.71Å; A336-A339 WeakPolarHBondContact O-CA 3.34Å; A336-A339 WeakPolarHBondContact O-CB 3.41Å; A336-A339 PolarHBondContact O-N 2.87Å; A336-E340 PolarHBondContact O-N 3.23Å; A336-K346 HydrophobicContact CB-CD 4.06Å |
| 337 | A | 95.1 | Very high | 92.6 | Very high | 50 Ų | 50 | 80.6 Ų | 80.6 | 41% | 0.413 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | E333 K334 K341 | E333-A337 PolarHBondContact O-N 2.87Å; K334-A337 PolarHBondContact O-N 3.25Å; A337-K341 WeakPolarHBondContact O-CB 3.26Å; A337-K341 PolarHBondContact O-N 3.19Å |
| 338 | I | 93.4 | Very high | 92.8 | Very high | 5 Ų | 5 | 78 Ų | 78 | 3% | 0.026 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.3 | -36 | 173.8 | -67.6 | 165.4 | 0 | 0 | 0 | 111.3 | L320 Y323 K334 A336 L342 V349 F353 | L320-I338 HydrophobicContact CD2-CG2 3.76Å; Y323-I338 HydrophobicContact CD1-CD1 4.2Å; Y323-I338 HydrophobicContact CD1-CG1 4.28Å; Y323-I338 HydrophobicContact CD2-CD1 4.17Å; Y323-I338 HydrophobicContact CD2-CG1 4Å; Y323-I338 HydrophobicContact CD2-CG2 3.91Å; Y323-I338 HydrophobicContact CE1-CG1 4.45Å; Y323-I338 HydrophobicContact CE2-CG1 4.18Å; Y323-I338 HydrophobicContact CE2-CG2 4.18Å; Y323-I338 HydrophobicContact CG-CD1 3.86Å; Y323-I338 HydrophobicContact CG-CG1 4.08Å; K334-I338 HydrophobicContact CG-CD1 4.08Å; K334-I338 WeakPolarHBondContact O-CB 3.45Å; K334-I338 WeakPolarHBondContact O-CD1 3.32Å; K334-I338 VanDerWaalsContact O-CG1 3.24Å; K334-I338 WeakPolarHBondContact O-CG1 3.43Å; K334-I338 PolarHBondContact O-N 3.1Å; A336-I338 VanDerWaalsContact C-N 3.34Å; A336-I338 PolarHBondContact O-N 2.71Å; I338-L342 HydrophobicContact CG2-CD1 3.83Å; I338-L342 HydrophobicContact CG2-CG 4.49Å; I338-L342 WeakPolarHBondContact O-CB 3.08Å; I338-L342 VanDerWaalsContact O-CG 3.31Å; I338-L342 WeakPolarHBondContact O-CG 3.45Å; I338-L342 PolarHBondContact O-N 3.14Å; I338-V349 HydrophobicContact CB-CG1 4.29Å; I338-V349 HydrophobicContact CG2-CG1 3.81Å; I338-F353 HydrophobicContact CD1-CE2 4.23Å; I338-F353 HydrophobicContact CD1-CZ 4.1Å |
| 339 | A | 94.6 | Very high | 93 | Very high | 5 Ų | 5 | 75.5 Ų | 75.5 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I335 A336 L342 D343 L344 K346 V349 | I335-A339 WeakPolarHBondContact O-CB 3.47Å; I335-A339 PolarHBondContact O-N 2.77Å; I335-A339 VanDerWaalsContact O-N 3.11Å; A336-A339 WeakPolarHBondContact O-CA 3.34Å; A336-A339 WeakPolarHBondContact O-CB 3.41Å; A336-A339 PolarHBondContact O-N 2.87Å; A339-L342 PolarHBondContact O-N 3.38Å; A339-D343 PolarHBondContact O-N 2.88Å; A339-D343 VanDerWaalsContact O-N 3.17Å; A339-L344 CarbonylContact C-O 3.56Å; A339-L344 VanDerWaalsContact CB-O 3.27Å; A339-L344 WeakPolarHBondContact CB-O 3.26Å; A339-L344 PolarHBondContact O-N 2.68Å; A339-L344 VanDerWaalsContact O-O 3.12Å; A339-K346 HydrophobicContact CB-CB 4.23Å; A339-V349 HydrophobicContact CB-CB 4.43Å; A339-V349 HydrophobicContact CB-CG2 3.85Å |
| 340 | E | 94.3 | Very high | 93.1 | Very high | 164 Ų | 164 | 70.9 Ų | 70.9 | 77% | 0.766 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.8 | -51.4 | 174.1 | -175 | 175.8 | -173.7 | 0 | 0 | 112.1 | A336 L342 D343 | A336-E340 PolarHBondContact O-N 3.23Å; E340-L342 PolarHBondContact O-N 3.41Å; E340-L342 VanDerWaalsContact O-N 3.09Å; E340-D343 PolarHBondContact O-N 2.76Å; E340-D343 VanDerWaalsContact O-N 3.14Å |
| 341 | K | 91.7 | Very high | 93.3 | Very high | 153 Ų | 153 | 73.3 Ų | 73.3 | 67% | 0.665 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.3 | -16.2 | -179 | -176.6 | 165.4 | 174.3 | -175.4 | 0 | 114.6 | Y323 A337 | Y323-K341 WeakPolarHBondContact OH-CD 3.34Å; Y323-K341 WeakPolarHBondContact OH-CE 3.44Å; Y323-K341 PolarHBondContact OH-NZ 2.97Å; A337-K341 WeakPolarHBondContact O-CB 3.26Å; A337-K341 PolarHBondContact O-N 3.19Å |
| 342 | L | 90.9 | Very high | 93.3 | Very high | 23 Ų | 23 | 72.1 Ų | 72.1 | 12% | 0.12 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 6.2 | 178.6 | -59.9 | 179.8 | 0 | 0 | 0 | 113.5 | E316 L320 I338 A339 E340 L344 | E316-L342 HydrophobicContact CB-CB 4.49Å; E316-L342 HydrophobicContact CG-CB 4.45Å; L320-L342 HydrophobicContact CD2-CD1 3.76Å; L320-L342 HydrophobicContact CG-CD1 3.71Å; I338-L342 HydrophobicContact CG2-CD1 3.83Å; I338-L342 HydrophobicContact CG2-CG 4.49Å; I338-L342 WeakPolarHBondContact O-CB 3.08Å; I338-L342 VanDerWaalsContact O-CG 3.31Å; I338-L342 WeakPolarHBondContact O-CG 3.45Å; I338-L342 PolarHBondContact O-N 3.14Å; A339-L342 PolarHBondContact O-N 3.38Å; E340-L342 PolarHBondContact O-N 3.41Å; E340-L342 VanDerWaalsContact O-N 3.09Å; L342-L344 HydrophobicContact CB-CD1 4.16Å; L342-L344 HydrophobicContact CB-CG 4.02Å; L342-L344 HydrophobicContact CD1-CD1 4.47Å; L342-L344 WeakPolarHBondContact O-CG 3.26Å; L342-L344 PolarHBondContact O-N 2.94Å |
| 343 | D | 92.3 | Very high | 93.4 | Very high | 155 Ų | 155 | 68.6 Ų | 68.6 | 83% | 0.829 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 39 | -170.3 | -164.8 | 37.8 | 0 | 0 | 0 | 113.9 | A339 E340 | A339-D343 PolarHBondContact O-N 2.88Å; A339-D343 VanDerWaalsContact O-N 3.17Å; E340-D343 PolarHBondContact O-N 2.76Å; E340-D343 VanDerWaalsContact O-N 3.14Å |
| 344 | L | 90.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 63.2 Ų | 63.2 | 13% | 0.131 | 32% | 0.318 | C | S | . | . | trans | -107.4 | 147.5 | 177.8 | -65.7 | -177.3 | 0 | 0 | 0 | 110.5 | I312 E316 L320 A339 L342 K346 V349 | I312-L344 HydrophobicContact CG2-CD1 4.23Å; E316-L344 HydrophobicContact CB-CD1 4.22Å; L320-L344 HydrophobicContact CD1-CD1 4.01Å; A339-L344 CarbonylContact C-O 3.56Å; A339-L344 VanDerWaalsContact CB-O 3.27Å; A339-L344 WeakPolarHBondContact CB-O 3.26Å; A339-L344 PolarHBondContact O-N 2.68Å; A339-L344 VanDerWaalsContact O-O 3.12Å; L342-L344 HydrophobicContact CB-CD1 4.16Å; L342-L344 HydrophobicContact CB-CG 4.02Å; L342-L344 HydrophobicContact CD1-CD1 4.47Å; L342-L344 WeakPolarHBondContact O-CG 3.26Å; L342-L344 PolarHBondContact O-N 2.94Å; L344-K346 PolarHBondContact O-N 3.4Å; L344-V349 HydrophobicContact CB-CG2 3.85Å; L344-V349 HydrophobicContact CD1-CG2 4.18Å | ||
| 345 | K | 91.4 | Very high | 93.2 | Very high | 156 Ų | 156 | 62.9 Ų | 62.9 | 68% | 0.678 | 32% | 0.321 | S | S | * | . | trans | -62.4 | 134.4 | 171.5 | -67.2 | -179.3 | 173.9 | 62.2 | 0 | 110.1 | N347 V348 V349 | K345-N347 PolarHBondContact O-N 3.23Å; K345-V348 HydrophobicContact CB-CG2 4.11Å; K345-V348 WeakPolarHBondContact O-CA 3.45Å; K345-V348 WeakPolarHBondContact O-CB 3.28Å; K345-V348 PolarHBondContact O-N 3.38Å; K345-V349 PolarHBondContact O-N 3.02Å | ||
| 346 | K | 92.3 | Very high | 93.1 | Very high | 78 Ų | 78 | 63.7 Ų | 63.7 | 34% | 0.339 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -46.4 | -34.1 | 175 | -168.6 | 177.3 | -178.2 | 170.9 | 0 | 113.7 | S332 I335 A336 A339 L344 R350 | S332-K346 WeakPolarHBondContact O-CE 3.46Å; S332-K346 PolarHBondContact O-NZ 2.96Å; S332-K346 PolarHBondContact OG-NZ 3.34Å; I335-K346 HydrophobicContact CG2-CG 3.96Å; A336-K346 HydrophobicContact CB-CD 4.06Å; A339-K346 HydrophobicContact CB-CB 4.23Å; L344-K346 PolarHBondContact O-N 3.4Å; K346-R350 WeakPolarHBondContact O-CB 3.4Å; K346-R350 PolarHBondContact O-N 2.97Å; K346-R350 VanDerWaalsContact O-N 3.12Å |
| 347 | N | 91.2 | Very high | 93 | Very high | 95 Ų | 95 | 66.3 Ų | 66.3 | 51% | 0.508 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 175.8 | -163 | 60.6 | 0 | 0 | 0 | 113.7 | K345 R350 V351 | K345-N347 PolarHBondContact O-N 3.23Å; N347-R350 PolarHBondContact O-N 3.5Å; N347-R350 PolarHBondContact OD1-NH1 3.49Å; N347-V351 WeakPolarHBondContact O-CB 3.44Å; N347-V351 VanDerWaalsContact O-CG2 3.29Å; N347-V351 WeakPolarHBondContact O-CG2 3.27Å; N347-V351 PolarHBondContact O-N 2.82Å |
| 348 | V | 92.4 | Very high | 92.4 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 18% | 0.176 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.5 | -47.8 | 178.9 | 174.3 | 0 | 0 | 0 | 0 | 109.9 | I312 K345 V351 W352 | I312-V348 HydrophobicContact CD1-CG1 3.78Å; I312-V348 HydrophobicContact CG1-CG1 3.98Å; K345-V348 HydrophobicContact CB-CG2 4.11Å; K345-V348 WeakPolarHBondContact O-CA 3.45Å; K345-V348 WeakPolarHBondContact O-CB 3.28Å; K345-V348 PolarHBondContact O-N 3.38Å; V348-V351 PolarHBondContact O-N 2.91Å; V348-W352 VanDerWaalsContact O-CB 3.32Å; V348-W352 WeakPolarHBondContact O-CB 3.43Å; V348-W352 PolarHBondContact O-N 3.42Å |
| 349 | V | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.4 | -49.3 | 176.2 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | L320 I335 I338 A339 L344 K345 V351 W352 F353 | L320-V349 HydrophobicContact CD2-CG1 3.95Å; L320-V349 HydrophobicContact CD2-CG2 4.37Å; I335-V349 HydrophobicContact CG2-CB 4.25Å; I335-V349 HydrophobicContact CG2-CG1 4.05Å; I338-V349 HydrophobicContact CB-CG1 4.29Å; I338-V349 HydrophobicContact CG2-CG1 3.81Å; A339-V349 HydrophobicContact CB-CB 4.43Å; A339-V349 HydrophobicContact CB-CG2 3.85Å; L344-V349 HydrophobicContact CB-CG2 3.85Å; L344-V349 HydrophobicContact CD1-CG2 4.18Å; K345-V349 PolarHBondContact O-N 3.02Å; V349-V351 PolarHBondContact O-N 3.06Å; V349-W352 WeakPolarHBondContact O-CB 3.26Å; V349-W352 PolarHBondContact O-N 3.29Å; V349-F353 HydrophobicContact CG1-CD2 3.78Å; V349-F353 HydrophobicContact CG1-CE2 3.76Å; V349-F353 WeakPolarHBondContact O-CD2 3.31Å; V349-F353 PolarHBondContact O-N 3.39Å |
| 350 | R | 95.2 | Very high | 91.6 | Very high | 97 Ų | 97 | 77.3 Ų | 77.3 | 37% | 0.366 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 178.6 | -163.9 | -172.1 | -38.5 | 99.6 | -1.1 | 112.7 | I335 K346 N347 W352 F353 C354 | I335-R350 HydrophobicContact CD1-CG 4.17Å; I335-R350 HydrophobicContact CG2-CB 4.13Å; K346-R350 WeakPolarHBondContact O-CB 3.4Å; K346-R350 PolarHBondContact O-N 2.97Å; K346-R350 VanDerWaalsContact O-N 3.12Å; N347-R350 PolarHBondContact O-N 3.5Å; N347-R350 PolarHBondContact OD1-NH1 3.49Å; R350-W352 VanDerWaalsContact C-N 3.35Å; R350-F353 PolarHBondContact O-N 3.39Å; R350-C354 PolarHBondContact O-N 3.36Å; R350-C354 VanDerWaalsContact O-N 3.12Å |
| 351 | V | 94.1 | Very high | 91 | Very high | 67 Ų | 67 | 76 Ų | 76 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 178.4 | 169.8 | 0 | 0 | 0 | 0 | 110.8 | N347 V348 V349 C354 N355 | N347-V351 WeakPolarHBondContact O-CB 3.44Å; N347-V351 VanDerWaalsContact O-CG2 3.29Å; N347-V351 WeakPolarHBondContact O-CG2 3.27Å; N347-V351 PolarHBondContact O-N 2.82Å; V348-V351 PolarHBondContact O-N 2.91Å; V349-V351 PolarHBondContact O-N 3.06Å; V351-C354 PolarHBondContact O-N 3.15Å; V351-N355 WeakPolarHBondContact O-CB 3.19Å; V351-N355 VanDerWaalsContact O-CG 3.27Å; V351-N355 PolarHBondContact O-N 3.11Å |
| 352 | W | 94.9 | Very high | 90.2 | Very high | 32 Ų | 32 | 76.6 Ų | 76.6 | 12% | 0.121 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.6 | -48.8 | 176 | -175.4 | 98.8 | 0 | 0 | 0 | 111.7 | I312 L320 E321 F324 V348 V349 R350 C354 N355 Q356 | I312-W352 HydrophobicContact CD1-CG 4.37Å; L320-W352 HydrophobicContact CB-CD2 3.93Å; L320-W352 HydrophobicContact CB-CE3 3.88Å; L320-W352 HydrophobicContact CB-CH2 3.72Å; L320-W352 HydrophobicContact CB-CZ2 3.72Å; L320-W352 HydrophobicContact CB-CZ3 3.78Å; L320-W352 HydrophobicContact CD1-CD2 3.92Å; L320-W352 HydrophobicContact CD1-CE3 4.41Å; L320-W352 HydrophobicContact CD1-CG 3.93Å; L320-W352 HydrophobicContact CD2-CE3 4.22Å; L320-W352 HydrophobicContact CG-CD2 4.35Å; L320-W352 HydrophobicContact CG-CE3 4.4Å; L320-W352 VanDerWaalsContact O-CH2 3.28Å; L320-W352 WeakPolarHBondContact O-CH2 3.31Å; L320-W352 WeakPolarHBondContact O-CZ3 3.19Å; E321-W352 HydrophobicContact CG-CH2 4.02Å; E321-W352 HydrophobicContact CG-CZ2 3.69Å; F324-W352 HydrophobicContact CB-CH2 3.85Å; F324-W352 HydrophobicContact CB-CZ3 3.85Å; F324-W352 HydrophobicContact CD2-CZ3 4.24Å; F324-W352 HydrophobicContact CG-CH2 4.23Å; F324-W352 HydrophobicContact CG-CZ3 4.2Å; V348-W352 VanDerWaalsContact O-CB 3.32Å; V348-W352 WeakPolarHBondContact O-CB 3.43Å; V348-W352 PolarHBondContact O-N 3.42Å; V349-W352 WeakPolarHBondContact O-CB 3.26Å; V349-W352 PolarHBondContact O-N 3.29Å; R350-W352 VanDerWaalsContact C-N 3.35Å; W352-C354 VanDerWaalsContact C-N 3.31Å; W352-C354 PolarHBondContact O-N 3.43Å; W352-N355 PolarHBondContact O-N 3.29Å; W352-Q356 HydrophobicContact CE3-CB 4.38Å; W352-Q356 HydrophobicContact CH2-CB 4.04Å; W352-Q356 HydrophobicContact CH2-CG 3.75Å; W352-Q356 HydrophobicContact CZ2-CB 4.31Å; W352-Q356 HydrophobicContact CZ2-CG 4.09Å; W352-Q356 HydrophobicContact CZ3-CB 4.09Å; W352-Q356 HydrophobicContact CZ3-CG 4.23Å; W352-Q356 WeakPolarHBondContact O-CB 3.38Å; W352-Q356 PolarHBondContact O-N 3.03Å |
| 353 | F | 95.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 80.3 Ų | 80.3 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.3 | -35.8 | 177.1 | -88.7 | -89.6 | 0 | 0 | 0 | 112.8 | L320 F324 P330 I338 V349 R350 R357 | L320-F353 HydrophobicContact CD2-CE2 3.88Å; F324-F353 HydrophobicContact CB-CE1 3.99Å; F324-F353 AromaticContact CD2-CD1 3.71Å; F324-F353 HydrophobicContact CD2-CD1 3.71Å; F324-F353 AromaticContact CD2-CE1 3.9Å; F324-F353 HydrophobicContact CD2-CE1 3.9Å; F324-F353 HydrophobicContact CE2-CD1 4.5Å; F324-F353 HydrophobicContact CG-CE1 4.46Å; P330-F353 VanDerWaalsContact CD-CD1 3.42Å; P330-F353 HydrophobicContact CG-CD1 3.56Å; P330-F353 HydrophobicContact CG-CD2 4.16Å; P330-F353 HydrophobicContact CG-CE1 3.62Å; P330-F353 HydrophobicContact CG-CE2 4.22Å; P330-F353 HydrophobicContact CG-CG 3.86Å; P330-F353 HydrophobicContact CG-CZ 3.97Å; I338-F353 HydrophobicContact CD1-CE2 4.23Å; I338-F353 HydrophobicContact CD1-CZ 4.1Å; V349-F353 HydrophobicContact CG1-CD2 3.78Å; V349-F353 HydrophobicContact CG1-CE2 3.76Å; V349-F353 WeakPolarHBondContact O-CD2 3.31Å; V349-F353 PolarHBondContact O-N 3.39Å; R350-F353 PolarHBondContact O-N 3.39Å; F353-R357 WeakPolarHBondContact O-CB 3.41Å; F353-R357 PolarHBondContact O-N 3.26Å; F353-R357 VanDerWaalsContact O-N 3.16Å; F353-R357 PolarHBondContact O-NH1 3.11Å |
| 354 | C | 91.8 | Very high | 88.3 | Confident | 45 Ų | 45 | 80.3 Ų | 80.3 | 30% | 0.304 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 172.7 | -77 | 0 | 0 | 0 | 0 | 112.3 | R350 V351 W352 R357 Q358 | R350-C354 PolarHBondContact O-N 3.36Å; R350-C354 VanDerWaalsContact O-N 3.12Å; V351-C354 PolarHBondContact O-N 3.15Å; W352-C354 VanDerWaalsContact C-N 3.31Å; W352-C354 PolarHBondContact O-N 3.43Å; C354-R357 PolarHBondContact O-N 2.75Å; C354-R357 PolarHBondContact SG-NH2 2.95Å; C354-R357 VanDerWaalsContact SG-NH2 3.37Å; C354-Q358 WeakPolarHBondContact O-CG 3.49Å; C354-Q358 PolarHBondContact O-N 2.82Å |
| 355 | N | 92.5 | Very high | 86.8 | Confident | 89 Ų | 89 | 85.8 Ų | 85.8 | 48% | 0.476 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | 179.1 | -70.7 | -10.1 | 0 | 0 | 0 | 111.9 | V351 W352 Q358 K359 | V351-N355 WeakPolarHBondContact O-CB 3.19Å; V351-N355 VanDerWaalsContact O-CG 3.27Å; V351-N355 PolarHBondContact O-N 3.11Å; W352-N355 PolarHBondContact O-N 3.29Å; N355-Q358 WeakPolarHBondContact O-CB 3.5Å; N355-Q358 PolarHBondContact O-N 3.15Å; N355-K359 PolarHBondContact O-N 2.84Å |
| 356 | Q | 92.7 | Very high | 85.2 | Confident | 32 Ų | 32 | 82.2 Ų | 82.2 | 15% | 0.15 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.2 | -39 | 179.5 | -166 | 74.8 | -42.8 | 0 | 0 | 111.8 | F324 W352 K359 Q360 | F324-Q356 HydrophobicContact CD1-CG 3.65Å; F324-Q356 HydrophobicContact CD2-CB 4.24Å; F324-Q356 HydrophobicContact CD2-CG 4.04Å; F324-Q356 HydrophobicContact CE1-CB 4.37Å; F324-Q356 HydrophobicContact CE1-CG 3.45Å; F324-Q356 VanDerWaalsContact CE1-CG 3.45Å; F324-Q356 HydrophobicContact CE2-CB 3.96Å; F324-Q356 HydrophobicContact CE2-CG 3.9Å; F324-Q356 HydrophobicContact CG-CG 3.93Å; F324-Q356 HydrophobicContact CZ-CB 4.03Å; F324-Q356 HydrophobicContact CZ-CG 3.6Å; W352-Q356 HydrophobicContact CE3-CB 4.38Å; W352-Q356 HydrophobicContact CH2-CB 4.04Å; W352-Q356 HydrophobicContact CH2-CG 3.75Å; W352-Q356 HydrophobicContact CZ2-CB 4.31Å; W352-Q356 HydrophobicContact CZ2-CG 4.09Å; W352-Q356 HydrophobicContact CZ3-CB 4.09Å; W352-Q356 HydrophobicContact CZ3-CG 4.23Å; W352-Q356 WeakPolarHBondContact O-CB 3.38Å; W352-Q356 PolarHBondContact O-N 3.03Å; Q356-K359 WeakPolarHBondContact O-CB 3.48Å; Q356-K359 PolarHBondContact O-N 2.89Å; Q356-Q360 PolarHBondContact O-N 3.14Å |
| 357 | R | 91.9 | Very high | 83.5 | Confident | 89 Ų | 89 | 82.5 Ų | 82.5 | 34% | 0.336 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 171.5 | -173.8 | 174 | 62.7 | -95.2 | -3 | 112.5 | F324 F353 C354 K361 | F324-R357 HydrophobicContact CE2-CB 4.34Å; F353-R357 WeakPolarHBondContact O-CB 3.41Å; F353-R357 PolarHBondContact O-N 3.26Å; F353-R357 VanDerWaalsContact O-N 3.16Å; F353-R357 PolarHBondContact O-NH1 3.11Å; C354-R357 PolarHBondContact O-N 2.75Å; C354-R357 PolarHBondContact SG-NH2 2.95Å; C354-R357 VanDerWaalsContact SG-NH2 3.37Å; R357-K361 PolarHBondContact O-N 3.04Å |
| 358 | Q | 83.8 | Confident | 81.5 | Confident | 93 Ų | 93 | 81.7 Ų | 81.7 | 44% | 0.435 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 171.4 | -72.5 | -176.8 | 17.5 | 0 | 0 | 111.9 | C354 N355 K361 R362 | C354-Q358 WeakPolarHBondContact O-CG 3.49Å; C354-Q358 PolarHBondContact O-N 2.82Å; N355-Q358 WeakPolarHBondContact O-CB 3.5Å; N355-Q358 PolarHBondContact O-N 3.15Å; Q358-K361 PolarHBondContact O-N 3.3Å; Q358-R362 WeakPolarHBondContact O-CG 3.5Å; Q358-R362 PolarHBondContact O-N 3.2Å |
| 359 | K | 86.4 | Confident | 79 | Confident | 115 Ų | 115 | 91.5 Ų | 91.5 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 176 | -173.1 | -173.4 | 177.3 | -171 | 0 | 111 | N355 Q356 K361 R362 L363 | N355-K359 PolarHBondContact O-N 2.84Å; Q356-K359 WeakPolarHBondContact O-CB 3.48Å; Q356-K359 PolarHBondContact O-N 2.89Å; K359-K361 VanDerWaalsContact C-N 3.3Å; K359-K361 PolarHBondContact O-N 2.98Å; K359-R362 PolarHBondContact O-N 2.95Å; K359-L363 HydrophobicContact CG-CD1 4.2Å; K359-L363 WeakPolarHBondContact O-CG 3.46Å; K359-L363 PolarHBondContact O-N 3.17Å |
| 360 | Q | 83.6 | Confident | 78.2 | Confident | 82 Ų | 82 | 96.1 Ų | 96.1 | 38% | 0.383 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -56.3 | -42.3 | 172.7 | -85.9 | -166.4 | -25.4 | 0 | 0 | 112.6 | F324 Q356 K364 | F324-Q360 HydrophobicContact CE1-CG 3.89Å; F324-Q360 HydrophobicContact CZ-CG 4.02Å; Q356-Q360 PolarHBondContact O-N 3.14Å; Q360-K364 WeakPolarHBondContact O-CG 3.23Å; Q360-K364 PolarHBondContact O-N 3.07Å |
| 361 | K | 82 | Confident | 77.3 | Confident | 138 Ų | 138 | 96.1 Ų | 96.1 | 60% | 0.6 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.9 | -50.3 | 177.3 | -167.8 | 177.5 | 179.6 | -176.9 | 0 | 110.6 | R357 Q358 K359 L363 K364 F365 | R357-K361 PolarHBondContact O-N 3.04Å; Q358-K361 PolarHBondContact O-N 3.3Å; K359-K361 VanDerWaalsContact C-N 3.3Å; K359-K361 PolarHBondContact O-N 2.98Å; K361-L363 PolarHBondContact O-N 3.01Å; K361-K364 PolarHBondContact O-N 3.33Å; K361-F365 HydrophobicContact CD-CE2 4.19Å; K361-F365 VanDerWaalsContact CE-CE2 3.42Å; K361-F365 HydrophobicContact CG-CD2 3.95Å; K361-F365 HydrophobicContact CG-CE2 3.62Å; K361-F365 WeakPolarHBondContact O-CD2 3.41Å; K361-F365 PolarHBondContact O-N 3.33Å |
| 362 | R | 76.3 | Confident | 76.4 | Confident | 164 Ų | 164 | 97.7 Ų | 97.7 | 62% | 0.619 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -56.5 | -47.9 | -179.9 | -66.9 | 173.1 | -147.9 | -168.8 | 5 | 112.2 | Q358 K359 K364 F365 S366 | Q358-R362 WeakPolarHBondContact O-CG 3.5Å; Q358-R362 PolarHBondContact O-N 3.2Å; K359-R362 PolarHBondContact O-N 2.95Å; R362-K364 PolarHBondContact O-N 3.07Å; R362-F365 PolarHBondContact O-N 3.03Å; R362-F365 VanDerWaalsContact O-N 3.1Å; R362-S366 PolarHBondContact O-N 3.13Å; R362-S366 PolarHBondContact O-OG 2.85Å |
| 363 | L | 72.1 | Confident | 75.3 | Confident | 102 Ų | 102 | 101.5 Ų | 101.5 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -26.8 | -179.3 | -67.2 | 172.5 | 0 | 0 | 0 | 113.8 | K359 K361 S366 | K359-L363 HydrophobicContact CG-CD1 4.2Å; K359-L363 WeakPolarHBondContact O-CG 3.46Å; K359-L363 PolarHBondContact O-N 3.17Å; K361-L363 PolarHBondContact O-N 3.01Å; L363-S366 WeakPolarHBondContact CA-OG 3.43Å; L363-S366 PolarHBondContact O-OG 3.44Å |
| 364 | K | 70.9 | Confident | 74.1 | Confident | 155 Ų | 155 | 107.6 Ų | 107.6 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -77.8 | -25 | 175.4 | -72.1 | -179.2 | 177.1 | -166.6 | 0 | 113.6 | Q360 K361 R362 | Q360-K364 WeakPolarHBondContact O-CG 3.23Å; Q360-K364 PolarHBondContact O-N 3.07Å; K361-K364 PolarHBondContact O-N 3.33Å; R362-K364 PolarHBondContact O-N 3.07Å |
| 365 | F | 58.4 | Low | 72.9 | Confident | 140 Ų | 140 | 111.8 Ų | 111.8 | 61% | 0.614 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -88.6 | -27.8 | 175.4 | -73.9 | -74.9 | 0 | 0 | 0 | 112.6 | K361 R362 A367 | K361-F365 HydrophobicContact CD-CE2 4.19Å; K361-F365 VanDerWaalsContact CE-CE2 3.42Å; K361-F365 HydrophobicContact CG-CD2 3.95Å; K361-F365 HydrophobicContact CG-CE2 3.62Å; K361-F365 WeakPolarHBondContact O-CD2 3.41Å; K361-F365 PolarHBondContact O-N 3.33Å; R362-F365 PolarHBondContact O-N 3.03Å; R362-F365 VanDerWaalsContact O-N 3.1Å; F365-A367 PolarHBondContact O-N 3.27Å |
| 366 | S | 57.4 | Low | 71.5 | Confident | 81 Ų | 81 | 113.4 Ų | 113.4 | 57% | 0.566 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | 6.7 | 177.2 | 66.4 | 0 | 0 | 0 | 0 | 114.8 | R362 L363 | R362-S366 PolarHBondContact O-N 3.13Å; R362-S366 PolarHBondContact O-OG 2.85Å; L363-S366 WeakPolarHBondContact CA-OG 3.43Å; L363-S366 PolarHBondContact O-OG 3.44Å |
| 367 | A | 55.9 | Low | 69.8 | Low | 83 Ų | 83 | 119.7 Ų | 119.7 | 69% | 0.686 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | 12.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F365 | F365-A367 PolarHBondContact O-N 3.27Š|
| 368 | A | 50 | Low | 68 | Low | 78 Ų | 78 | 122.3 Ų | 122.3 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | trans | -119.4 | 11.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 369 | H | 39.4 | Very low | 66.6 | Low | 236 Ų | 236 | 124.9 Ų | 124.9 | 100% | 1.093 | 63% | 0.629 | S | S | * | * | trans | -138.8 | 0 | 170.9 | -91.6 | -75.8 | 0 | 0 | 0 | 106.9 |
Retrieved 369 of 369 residues in 75.2 ms
(Link to these results)