| 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 | 39.5 | Very low | 37 | Very low | 220 Ų | 220 | 143.9 Ų | 143.9 | 100% | 1.084 | 77% | 0.767 | S | S | * | * | 0 | 54.2 | 0 | -63.5 | -173.6 | 175.1 | 0 | 0 | 106.5 | |||||
| 2 | D | 37.7 | Very low | 36.5 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | 72.9 | 122 | 78.5 | -58.7 | -44.9 | 0 | 0 | 0 | 107.6 | |||||
| 3 | E | 37.7 | Very low | 36.4 | Very low | 158 Ų | 158 | 146 Ų | 146 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | cis | -169.3 | 152.2 | 17 | -118.7 | -175.8 | 115.3 | 0 | 0 | 107.6 | ||||
| 4 | H | 37.8 | Very low | 36.3 | Very low | 167 Ų | 167 | 144.1 Ų | 144.1 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 35.4 | 144 | 133.7 | -75.1 | -49.2 | 0 | 0 | 0 | 121.3 | ||||
| 5 | A | 34.7 | Very low | 36.2 | Very low | 73 Ų | 73 | 144.2 Ų | 144.2 | 60% | 0.603 | 78% | 0.776 | S | S | * | * | cis | 169.9 | 145 | 8.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 6 | V | 37.3 | Very low | 35.9 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | 79.1 | 104.7 | 130.6 | -179.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 7 | N | 38.3 | Very low | 35.8 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -50.4 | 162.5 | 145.5 | -113.7 | -15.7 | 0 | 0 | 0 | 111.9 | ||||
| 8 | P | 45.3 | Very low | 35.5 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | -163.1 | 178.1 | 63.4 | 44.5 | -21.5 | 0 | 0 | 0 | 118.4 | |||||
| 9 | T | 32.5 | Very low | 35.3 | Very low | 115 Ų | 115 | 140 Ų | 140 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 28.7 | 142.6 | 141.8 | 52.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 10 | E | 31.2 | Very low | 35.2 | Very low | 153 Ų | 153 | 140 Ų | 140 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | cis | -176.9 | 154.3 | 37.2 | -113.1 | 161 | -167.1 | 0 | 0 | 105 | ||||
| 11 | H | 35.1 | Very low | 35 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | 174.8 | 146 | 95.7 | -93.6 | -79.2 | 0 | 0 | 0 | 111.5 | |||||
| 12 | M | 31.6 | Very low | 34.6 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | trans | -93.4 | 142.9 | 176.1 | -148.2 | 173.8 | 74.8 | 0 | 0 | 110 | ||||
| 13 | T | 34.9 | Very low | 34.3 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | trans | -159.2 | 130.9 | 152.7 | 15.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 14 | T | 34.2 | Very low | 34 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -78.9 | 169.3 | 169 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 15 | I | 35.1 | Very low | 33.5 | Very low | 145 Ų | 145 | 137.4 Ų | 137.4 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | 131.8 | 139.5 | 154.6 | -70.6 | 159.6 | 0 | 0 | 0 | 109.4 | ||||
| 16 | E | 32.1 | Very low | 33.4 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | cis | -166.7 | 170.1 | -12.9 | -107.9 | -174.1 | 142.3 | 0 | 0 | 106.8 | ||||
| 17 | A | 33.1 | Very low | 33 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | -65.8 | 155.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 18 | S | 30.8 | Very low | 32.8 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -151.2 | 115.2 | 149.3 | -91.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 19 | A | 32.3 | Very low | 32.1 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -82.2 | 139.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 20 | V | 33.1 | Very low | 32.1 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | trans | -134.9 | 123.6 | 159.4 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 21 | S | 31.6 | Very low | 32 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -79.4 | 147.2 | 174.2 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 22 | Q | 31.4 | Very low | 32.1 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -159 | 149.9 | 147.3 | -118.1 | 170.2 | 18 | 0 | 0 | 113.9 | ||||
| 23 | Q | 29.8 | Very low | 32.2 | Very low | 170 Ų | 170 | 141 Ų | 141 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -90 | 147.3 | -151.5 | -70.6 | 151.2 | -57.3 | 0 | 0 | 115.7 | ||||
| 24 | V | 32.4 | Very low | 32.3 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | 11 | 128.3 | 133.8 | -170.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 25 | H | 27.4 | Very low | 32.4 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 88% | 0.875 | 83% | 0.826 | S | S | * | * | trans | -149.8 | 130.2 | 137.5 | -95.5 | 76.3 | 0 | 0 | 0 | 110.4 | ||||
| 26 | V | 31.9 | Very low | 32.3 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -111.5 | 126 | 168.8 | 168.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 27 | T | 29.7 | Very low | 32.7 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 80% | 0.798 | 82% | 0.824 | S | S | * | * | trans | -157.7 | 136.5 | 149.3 | 38.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 28 | T | 33.6 | Very low | 33.1 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | -60.2 | 140.4 | -179.9 | 44.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 29 | F | 30.7 | Very low | 33.5 | Very low | 210 Ų | 210 | 146 Ų | 146 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -145 | 130.4 | 146.5 | -91.3 | -81.5 | 0 | 0 | 0 | 110.5 | ||||
| 30 | T | 32.4 | Very low | 33.7 | Very low | 131 Ų | 131 | 148 Ų | 148 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -80.9 | 128.2 | 172.3 | 40.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 31 | E | 29.1 | Very low | 34 | Very low | 201 Ų | 201 | 145.8 Ų | 145.8 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -165 | 146.5 | 138.8 | -124.1 | 174.8 | 162 | 0 | 0 | 111.9 | ||||
| 32 | A | 37.9 | Very low | 34.2 | Very low | 98 Ų | 98 | 146.8 Ų | 146.8 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -74.6 | 143.9 | -164.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 33 | S | 32.1 | Very low | 34.2 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -147.4 | 116.5 | 148.7 | -148 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 34 | M | 38.6 | Very low | 34.7 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | -59.2 | 139.9 | 175.1 | -55.2 | 170.9 | -163.3 | 0 | 0 | 110 | ||||
| 35 | M | 34.9 | Very low | 35.6 | Very low | 188 Ų | 188 | 140 Ų | 140 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | -172 | 122.9 | 124.8 | -72.6 | -145 | 74.6 | 0 | 0 | 108.2 | |||||
| 36 | S | 34.6 | Very low | 35.9 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | trans | -63.3 | 142.4 | -173.8 | -59.2 | 0 | 0 | 0 | 0 | 113.7 | E38 | S36-E38 WeakPolarHBondContact CB-OE1 3.45Š| ||
| 37 | A | 39.3 | Very low | 36.3 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -94.9 | 95.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 38 | E | 40.7 | Very low | 37.3 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 77% | 0.771 | 81% | 0.808 | S | S | * | * | trans | -92.3 | 111.3 | 165 | 31.9 | -117.6 | 133.7 | 0 | 0 | 109.6 | S36 D40 | S36-E38 WeakPolarHBondContact CB-OE1 3.45Å; E38-D40 PolarHBondContact O-N 2.75Å | ||
| 39 | E | 40.8 | Very low | 37.9 | Very low | 183 Ų | 183 | 140.6 Ų | 140.6 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -69.7 | 106.3 | 169.1 | -64.1 | -177.4 | 123.4 | 0 | 0 | 109 | S41 | E39-S41 PolarHBondContact O-N 3.39Š| ||
| 40 | D | 36.6 | Very low | 38.9 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | trans | -72.9 | 94.1 | 172.8 | -171.2 | 21.4 | 0 | 0 | 0 | 110.2 | E38 T42 | E38-D40 PolarHBondContact O-N 2.75Å; D40-T42 PolarHBondContact O-N 2.98Å; D40-T42 VanDerWaalsContact O-N 3.16Å | ||
| 41 | S | 38.4 | Very low | 39.7 | Very low | 93 Ų | 93 | 139 Ų | 139 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | -70.8 | 94.5 | 166.6 | -68.5 | 0 | 0 | 0 | 0 | 109.3 | E39 S43 | E39-S41 PolarHBondContact O-N 3.39Å; S41-S43 PolarHBondContact O-N 3.29Å; S41-S43 PolarHBondContact O-OG 3.3Å | ||
| 42 | T | 36.7 | Very low | 40.4 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | -67 | 97.5 | 171 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | D40 | D40-T42 PolarHBondContact O-N 2.98Å; D40-T42 VanDerWaalsContact O-N 3.16Å | ||
| 43 | S | 31 | Very low | 41.2 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | -79.7 | 132.7 | 175.5 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | S41 | S41-S43 PolarHBondContact O-N 3.29Å; S41-S43 PolarHBondContact O-OG 3.3Å | ||
| 44 | S | 39.7 | Very low | 42.2 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -161.4 | 143.4 | 160.6 | -147.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 45 | P | 51.7 | Low | 43 | Very low | 112 Ų | 112 | 130 Ų | 130 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | cis | -144.9 | 164.9 | 37.9 | 37.3 | -16.3 | 0 | 0 | 0 | 116.9 | ||||
| 46 | D | 34.8 | Very low | 43.9 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 139.6 | 161.2 | -67.5 | -68.5 | 0 | 0 | 0 | 111.5 | D48 | D46-D48 PolarHBondContact O-N 3.17Š|
| 47 | D | 39.9 | Very low | 44.5 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 117.8 | -175.4 | -72.1 | -68.6 | 0 | 0 | 0 | 113.6 | ||
| 48 | D | 50.2 | Low | 44.9 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 134.3 | 151.3 | -90 | -48.6 | 0 | 0 | 0 | 107.7 | D46 Y50 | D46-D48 PolarHBondContact O-N 3.17Å; D48-Y50 PolarHBondContact O-N 3.38Å |
| 49 | P | 46.5 | Very low | 45.3 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 123.7 | -176 | 22.3 | -31.5 | 0 | 0 | 0 | 111.4 | D51 | P49-D51 PolarHBondContact O-N 3.03Š|
| 50 | Y | 50.8 | Low | 45.6 | Very low | 192 Ų | 192 | 118.9 Ų | 118.9 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 118.6 | 178.8 | -118.2 | -105.1 | 0 | 0 | 0 | 111.6 | D48 | D48-Y50 PolarHBondContact O-N 3.38Š|
| 51 | D | 48.8 | Very low | 46.4 | Very low | 115 Ų | 115 | 117 Ų | 117 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | trans | -98.8 | 90.9 | 169.4 | -174.7 | 1.7 | 0 | 0 | 0 | 108.2 | P49 T53 | P49-D51 PolarHBondContact O-N 3.03Å; D51-T53 PolarHBondContact O-N 2.97Å; D51-T53 VanDerWaalsContact O-N 3.13Å; D51-T53 WeakPolarHBondContact OD1-CB 3.48Å; D51-T53 PolarHBondContact OD1-N 3.18Å; D51-T53 PolarHBondContact OD1-OG1 2.99Å | ||
| 52 | D | 44.8 | Very low | 47.6 | Very low | 100 Ų | 100 | 115 Ų | 115 | 54% | 0.535 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -71.3 | 3.4 | -175.5 | -100.4 | -24.4 | 0 | 0 | 0 | 114 | D54 I55 | D52-D54 VanDerWaalsContact C-N 3.34Å; D52-D54 PolarHBondContact O-N 3.48Å; D52-I55 VanDerWaalsContact OD1-CD1 3.29Å; D52-I55 WeakPolarHBondContact OD1-CD1 2.95Å |
| 53 | T | 54.5 | Low | 49.3 | Very low | 105 Ų | 105 | 116.5 Ų | 116.5 | 64% | 0.644 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -76.4 | -19.2 | -169.6 | -34.7 | 0 | 0 | 0 | 0 | 113.5 | D51 | D51-T53 PolarHBondContact O-N 2.97Å; D51-T53 VanDerWaalsContact O-N 3.13Å; D51-T53 WeakPolarHBondContact OD1-CB 3.48Å; D51-T53 PolarHBondContact OD1-N 3.18Å; D51-T53 PolarHBondContact OD1-OG1 2.99Å |
| 54 | D | 54 | Low | 51.1 | Low | 100 Ų | 100 | 115.6 Ų | 115.6 | 54% | 0.535 | 66% | 0.664 | S | S | . | * | G | 310 helix | trans | -95.8 | -6.5 | -175.5 | -82.7 | -25.6 | 0 | 0 | 0 | 115.1 | D52 L56 S58 | D52-D54 VanDerWaalsContact C-N 3.34Å; D52-D54 PolarHBondContact O-N 3.48Å; D54-L56 VanDerWaalsContact C-N 3.3Å; D54-L56 PolarHBondContact O-N 3.43Å; D54-S58 PolarHBondContact O-OG 3.12Å; D54-S58 VanDerWaalsContact O-OG 3.09Å |
| 55 | I | 54.6 | Low | 52.7 | Low | 107 Ų | 107 | 111.3 Ų | 111.3 | 55% | 0.549 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67.9 | -32.5 | -179.7 | -65.4 | -177.5 | 0 | 0 | 0 | 111.2 | D52 | D52-I55 VanDerWaalsContact OD1-CD1 3.29Å; D52-I55 WeakPolarHBondContact OD1-CD1 2.95Å |
| 56 | L | 53.8 | Low | 53.8 | Low | 151 Ų | 151 | 108.4 Ų | 108.4 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -86.7 | -21.7 | -174.3 | -66.1 | 173.5 | 0 | 0 | 0 | 114.1 | D54 | D54-L56 VanDerWaalsContact C-N 3.3Å; D54-L56 PolarHBondContact O-N 3.43Å |
| 57 | N | 46.8 | Very low | 55.9 | Low | 136 Ų | 136 | 107.8 Ų | 107.8 | 73% | 0.727 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -83.8 | -18.5 | 178.7 | -96.2 | -6.5 | 0 | 0 | 0 | 113.8 | ||
| 58 | S | 48.8 | Very low | 57.7 | Low | 67 Ų | 67 | 103.3 Ų | 103.3 | 47% | 0.469 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -93.8 | -24.8 | -172.8 | -52.6 | 0 | 0 | 0 | 0 | 113.7 | D54 G60 T61 | D54-S58 PolarHBondContact O-OG 3.12Å; D54-S58 VanDerWaalsContact O-OG 3.09Å; S58-G60 PolarHBondContact O-N 2.97Å; S58-T61 PolarHBondContact O-N 3.37Å; S58-T61 PolarHBondContact O-OG1 3.36Å |
| 59 | A | 47.9 | Very low | 59.1 | Low | 70 Ų | 70 | 97.9 Ų | 97.9 | 58% | 0.579 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -15.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 60 | G | 48.3 | Very low | 60.8 | Low | 78 Ų | 78 | 96.4 Ų | 96.4 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -4.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | S58 | S58-G60 PolarHBondContact O-N 2.97Š|
| 61 | T | 51.8 | Low | 62.4 | Low | 101 Ų | 101 | 90.7 Ų | 90.7 | 62% | 0.62 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -114 | -4.2 | -168.8 | 60.8 | 0 | 0 | 0 | 0 | 115.7 | S58 | S58-T61 PolarHBondContact O-N 3.37Å; S58-T61 PolarHBondContact O-OG1 3.36Å |
| 62 | D | 65.1 | Low | 63.9 | Low | 52 Ų | 52 | 86.6 Ų | 86.6 | 28% | 0.278 | 54% | 0.537 | S | S | . | . | trans | -116.7 | 94.5 | -178.7 | -170.4 | 14.8 | 0 | 0 | 0 | 110.3 | V64 T65 A66 | D62-V64 PolarHBondContact O-N 3.41Å; D62-V64 VanDerWaalsContact O-N 3.12Å; D62-T65 PolarHBondContact O-N 2.92Å; D62-T65 PolarHBondContact OD2-OG1 3.34Å; D62-A66 PolarHBondContact O-N 2.84Å | ||
| 63 | E | 71.6 | Confident | 65.5 | Low | 157 Ų | 157 | 87.5 Ų | 87.5 | 73% | 0.734 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -54.2 | -31.7 | -177.6 | -67.2 | -176.5 | 165.8 | 0 | 0 | 112.2 | A66 H67 | E63-A66 PolarHBondContact O-N 3.31Å; E63-H67 PolarHBondContact O-N 2.77Å; E63-H67 PolarHBondContact O-ND1 3.48Å |
| 64 | V | 68.4 | Low | 66.7 | Low | 94 Ų | 94 | 88.4 Ų | 88.4 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.9 | -41.5 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | D62 A66 H67 L68 | D62-V64 PolarHBondContact O-N 3.41Å; D62-V64 VanDerWaalsContact O-N 3.12Å; V64-A66 VanDerWaalsContact C-N 3.34Å; V64-H67 PolarHBondContact O-N 3.02Å; V64-L68 HydrophobicContact CG1-CD1 4.28Å; V64-L68 VanDerWaalsContact O-CG 3.32Å; V64-L68 WeakPolarHBondContact O-CG 3.38Å; V64-L68 PolarHBondContact O-N 2.67Å |
| 65 | T | 73.1 | Confident | 68 | Low | 20 Ų | 20 | 83.9 Ų | 83.9 | 12% | 0.123 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -67.9 | -36.1 | 176.7 | -64.3 | 0 | 0 | 0 | 0 | 111 | D62 L68 A69 A79 | D62-T65 PolarHBondContact O-N 2.92Å; D62-T65 PolarHBondContact OD2-OG1 3.34Å; T65-L68 PolarHBondContact O-N 2.87Å; T65-A69 WeakPolarHBondContact O-CB 3.42Å; T65-A69 PolarHBondContact O-N 3.14Å; T65-A79 HydrophobicContact CG2-CB 3.89Å |
| 66 | A | 75.6 | Confident | 69.2 | Low | 52 Ų | 52 | 84.5 Ų | 84.5 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.8 | -40.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | D62 E63 V64 A69 A70 | D62-A66 PolarHBondContact O-N 2.84Å; E63-A66 PolarHBondContact O-N 3.31Å; V64-A66 VanDerWaalsContact C-N 3.34Å; A66-A69 PolarHBondContact O-N 2.9Å; A66-A70 WeakPolarHBondContact O-CB 3.32Å; A66-A70 PolarHBondContact O-N 2.85Å |
| 67 | H | 77.9 | Confident | 70.4 | Confident | 143 Ų | 143 | 80.2 Ų | 80.2 | 66% | 0.662 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.2 | -38 | 174.5 | -80.9 | 79.5 | 0 | 0 | 0 | 112.3 | E63 V64 A70 A71 | E63-H67 PolarHBondContact O-N 2.77Å; E63-H67 PolarHBondContact O-ND1 3.48Å; V64-H67 PolarHBondContact O-N 3.02Å; H67-A70 PolarHBondContact O-N 3.36Å; H67-A71 PolarHBondContact O-N 2.99Å |
| 68 | L | 78.5 | Confident | 71.9 | Confident | 60 Ų | 60 | 75.5 Ų | 75.5 | 31% | 0.314 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 173.1 | -73 | 167.2 | 0 | 0 | 0 | 110.7 | V64 T65 A70 A71 G75 A79 | V64-L68 HydrophobicContact CG1-CD1 4.28Å; V64-L68 VanDerWaalsContact O-CG 3.32Å; V64-L68 WeakPolarHBondContact O-CG 3.38Å; V64-L68 PolarHBondContact O-N 2.67Å; T65-L68 PolarHBondContact O-N 2.87Å; L68-A70 VanDerWaalsContact C-N 3.26Å; L68-A70 PolarHBondContact O-N 3.39Å; L68-A71 WeakPolarHBondContact O-CB 3.49Å; L68-A71 PolarHBondContact O-N 2.87Å; L68-G75 CarbonylContact C-O 3.37Å; L68-G75 CarbonylContact O-C 2.96Å; L68-G75 WeakPolarHBondContact O-CA 3.27Å; L68-A79 HydrophobicContact CB-CB 4.06Å |
| 69 | A | 80.4 | Confident | 73.3 | Confident | 36 Ų | 36 | 72.7 Ų | 72.7 | 30% | 0.298 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -34.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T65 A66 A71 M76 A79 | T65-A69 WeakPolarHBondContact O-CB 3.42Å; T65-A69 PolarHBondContact O-N 3.14Å; A66-A69 PolarHBondContact O-N 2.9Å; A69-A71 VanDerWaalsContact C-N 3.26Å; A69-A71 PolarHBondContact O-N 3.49Å; A69-M76 HydrophobicContact CB-SD 4.46Å; A69-M76 WeakPolarHBondContact O-CG 3.44Å; A69-A79 HydrophobicContact CB-CB 3.94Å |
| 70 | A | 81.6 | Confident | 74.5 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 73% | 0.727 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.7 | -15.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | A66 H67 L68 G72 | A66-A70 WeakPolarHBondContact O-CB 3.32Å; A66-A70 PolarHBondContact O-N 2.85Å; H67-A70 PolarHBondContact O-N 3.36Å; L68-A70 VanDerWaalsContact C-N 3.26Å; L68-A70 PolarHBondContact O-N 3.39Å; A70-G72 PolarHBondContact O-N 2.89Å |
| 71 | A | 84.1 | Confident | 75.6 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 60% | 0.603 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | 17.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H67 L68 A69 | H67-A71 PolarHBondContact O-N 2.99Å; L68-A71 WeakPolarHBondContact O-CB 3.49Å; L68-A71 PolarHBondContact O-N 2.87Å; A69-A71 VanDerWaalsContact C-N 3.26Å; A69-A71 PolarHBondContact O-N 3.49Å |
| 72 | G | 80.9 | Confident | 76.4 | Confident | 28 Ų | 28 | 70 Ų | 70 | 29% | 0.289 | 45% | 0.452 | S | S | . | . | trans | 88.3 | -167.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A70 V74 G75 M76 | A70-G72 PolarHBondContact O-N 2.89Å; G72-V74 VanDerWaalsContact C-N 3.29Å; G72-V74 PolarHBondContact O-N 3.27Å; G72-G75 CarbonylContact O-C 3.59Å; G72-G75 WeakPolarHBondContact O-CA 3.44Å; G72-G75 PolarHBondContact O-N 2.91Å; G72-M76 WeakPolarHBondContact O-CG 3.28Å; G72-M76 PolarHBondContact O-N 2.89Å | ||
| 73 | P | 77.1 | Confident | 76.4 | Confident | 120 Ų | 120 | 71 Ų | 71 | 78% | 0.779 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.7 | -35 | -168.5 | -26.7 | 34.8 | 0 | 0 | 0 | 114.9 | A77 | P73-A77 PolarHBondContact O-N 3.19Å; P73-A77 VanDerWaalsContact O-N 3.14Å |
| 74 | V | 79.4 | Confident | 76 | Confident | 123 Ų | 123 | 68.9 Ų | 68.9 | 75% | 0.745 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -72.7 | -38.6 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 111 | G72 A77 A78 | G72-V74 VanDerWaalsContact C-N 3.29Å; G72-V74 PolarHBondContact O-N 3.27Å; V74-A77 PolarHBondContact O-N 3.32Å; V74-A78 WeakPolarHBondContact O-CB 3.3Å; V74-A78 PolarHBondContact O-N 3.42Å |
| 75 | G | 83.1 | Confident | 75.6 | Confident | 6 Ų | 6 | 67 Ų | 67 | 6% | 0.062 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.5 | -36.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | L68 G72 A78 A79 | L68-G75 CarbonylContact C-O 3.37Å; L68-G75 CarbonylContact O-C 2.96Å; L68-G75 WeakPolarHBondContact O-CA 3.27Å; G72-G75 CarbonylContact O-C 3.59Å; G72-G75 WeakPolarHBondContact O-CA 3.44Å; G72-G75 PolarHBondContact O-N 2.91Å; G75-A78 PolarHBondContact O-N 2.68Å; G75-A79 VanDerWaalsContact O-CB 3.27Å; G75-A79 WeakPolarHBondContact O-CB 3.27Å; G75-A79 PolarHBondContact O-N 3.28Å |
| 76 | M | 79.8 | Confident | 74.6 | Confident | 119 Ų | 119 | 74.8 Ų | 74.8 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -45.3 | 170 | -73.9 | -98.8 | -71.8 | 0 | 0 | 111.8 | A69 G72 A78 A79 A80 | A69-M76 HydrophobicContact CB-SD 4.46Å; A69-M76 WeakPolarHBondContact O-CG 3.44Å; G72-M76 WeakPolarHBondContact O-CG 3.28Å; G72-M76 PolarHBondContact O-N 2.89Å; M76-A78 VanDerWaalsContact C-N 3.34Å; M76-A79 PolarHBondContact O-N 3.48Å; M76-A80 VanDerWaalsContact O-CB 3.28Å; M76-A80 WeakPolarHBondContact O-CB 3.28Å; M76-A80 PolarHBondContact O-N 2.8Å |
| 77 | A | 78.9 | Confident | 73.5 | Confident | 61 Ų | 61 | 82 Ų | 82 | 50% | 0.504 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P73 V74 A80 A81 | P73-A77 PolarHBondContact O-N 3.19Å; P73-A77 VanDerWaalsContact O-N 3.14Å; V74-A77 PolarHBondContact O-N 3.32Å; A77-A80 PolarHBondContact O-N 2.86Å; A77-A81 WeakPolarHBondContact O-CB 3.29Å; A77-A81 PolarHBondContact O-N 3.13Å |
| 78 | A | 77.6 | Confident | 72.5 | Confident | 38 Ų | 38 | 83.9 Ų | 83.9 | 31% | 0.314 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V74 G75 M76 A81 V82 | V74-A78 WeakPolarHBondContact O-CB 3.3Å; V74-A78 PolarHBondContact O-N 3.42Å; G75-A78 PolarHBondContact O-N 2.68Å; M76-A78 VanDerWaalsContact C-N 3.34Å; A78-A81 PolarHBondContact O-N 3.39Å; A78-V82 VanDerWaalsContact O-CG2 3.3Å; A78-V82 WeakPolarHBondContact O-CG2 3.22Å; A78-V82 PolarHBondContact O-N 3.2Å |
| 79 | A | 77.4 | Confident | 71.5 | Confident | 8 Ų | 8 | 89.8 Ų | 89.8 | 7% | 0.066 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T65 L68 A69 G75 M76 V82 A83 | T65-A79 HydrophobicContact CG2-CB 3.89Å; L68-A79 HydrophobicContact CB-CB 4.06Å; A69-A79 HydrophobicContact CB-CB 3.94Å; G75-A79 VanDerWaalsContact O-CB 3.27Å; G75-A79 WeakPolarHBondContact O-CB 3.27Å; G75-A79 PolarHBondContact O-N 3.28Å; M76-A79 PolarHBondContact O-N 3.48Å; A79-V82 PolarHBondContact O-N 3.44Å; A79-A83 VanDerWaalsContact O-CB 3.28Å; A79-A83 WeakPolarHBondContact O-CB 3.34Å; A79-A83 PolarHBondContact O-N 3.09Å |
| 80 | A | 72.9 | Confident | 70.6 | Confident | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.1 | -41.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M76 A77 A83 T84 | M76-A80 VanDerWaalsContact O-CB 3.28Å; M76-A80 WeakPolarHBondContact O-CB 3.28Å; M76-A80 PolarHBondContact O-N 2.8Å; A77-A80 PolarHBondContact O-N 2.86Å; A80-A83 PolarHBondContact O-N 2.83Å; A80-T84 WeakPolarHBondContact O-CB 3.26Å; A80-T84 VanDerWaalsContact O-CG2 3.26Å; A80-T84 WeakPolarHBondContact O-CG2 3.34Å; A80-T84 PolarHBondContact O-N 3.38Å; A80-T84 PolarHBondContact O-OG1 3.17Å |
| 81 | A | 72.7 | Confident | 70.1 | Confident | 57 Ų | 57 | 99.3 Ų | 99.3 | 47% | 0.471 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.7 | -37.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A77 A78 T84 G85 | A77-A81 WeakPolarHBondContact O-CB 3.29Å; A77-A81 PolarHBondContact O-N 3.13Å; A78-A81 PolarHBondContact O-N 3.39Å; A81-T84 WeakPolarHBondContact CA-OG1 3.4Å; A81-T84 PolarHBondContact O-OG1 3.07Å; A81-G85 VanDerWaalsContact O-CA 3.27Å; A81-G85 WeakPolarHBondContact O-CA 3.3Å; A81-G85 PolarHBondContact O-N 2.84Å |
| 82 | V | 67.4 | Low | 69.9 | Low | 82 Ų | 82 | 104.8 Ų | 104.8 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.8 | -41.3 | 174.9 | 172 | 0 | 0 | 0 | 0 | 111.2 | A78 A79 T84 G85 | A78-V82 VanDerWaalsContact O-CG2 3.3Å; A78-V82 WeakPolarHBondContact O-CG2 3.22Å; A78-V82 PolarHBondContact O-N 3.2Å; A79-V82 PolarHBondContact O-N 3.44Å; V82-T84 VanDerWaalsContact C-N 3.34Å; V82-T84 PolarHBondContact O-N 3.48Å; V82-G85 PolarHBondContact O-N 3.09Å |
| 83 | A | 65.5 | Low | 69.9 | Low | 73 Ų | 73 | 110.3 Ų | 110.3 | 60% | 0.603 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.7 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A79 A80 | A79-A83 VanDerWaalsContact O-CB 3.28Å; A79-A83 WeakPolarHBondContact O-CB 3.34Å; A79-A83 PolarHBondContact O-N 3.09Å; A80-A83 PolarHBondContact O-N 2.83Å |
| 84 | T | 64.1 | Low | 70.1 | Confident | 113 Ų | 113 | 112 Ų | 112 | 69% | 0.693 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -86.5 | -17.3 | -179.9 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | A80 A81 V82 K86 | A80-T84 WeakPolarHBondContact O-CB 3.26Å; A80-T84 VanDerWaalsContact O-CG2 3.26Å; A80-T84 WeakPolarHBondContact O-CG2 3.34Å; A80-T84 PolarHBondContact O-N 3.38Å; A80-T84 PolarHBondContact O-OG1 3.17Å; A81-T84 WeakPolarHBondContact CA-OG1 3.4Å; A81-T84 PolarHBondContact O-OG1 3.07Å; V82-T84 VanDerWaalsContact C-N 3.34Å; V82-T84 PolarHBondContact O-N 3.48Å; T84-K86 PolarHBondContact O-N 2.91Å |
| 85 | G | 58.6 | Low | 70.2 | Confident | 53 Ų | 53 | 108.4 Ų | 108.4 | 55% | 0.546 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -79.9 | -7.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | A81 V82 | A81-G85 VanDerWaalsContact O-CA 3.27Å; A81-G85 WeakPolarHBondContact O-CA 3.3Å; A81-G85 PolarHBondContact O-N 2.84Å; V82-G85 PolarHBondContact O-N 3.09Å |
| 86 | K | 52.8 | Low | 70.2 | Confident | 185 Ų | 185 | 110.3 Ų | 110.3 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -159.3 | 109.5 | 174.4 | -104.1 | 157.2 | -170.5 | 176.2 | 0 | 109.1 | T84 R88 | T84-K86 PolarHBondContact O-N 2.91Å; K86-R88 PolarHBondContact O-N 2.83Å |
| 87 | K | 53.3 | Low | 70.1 | Confident | 202 Ų | 202 | 106.4 Ų | 106.4 | 88% | 0.878 | 56% | 0.564 | S | S | * | * | trans | -47.4 | 103.6 | 165.3 | -66.1 | -174 | 178.4 | -173.9 | 0 | 107.6 | K89 | K87-K89 PolarHBondContact O-N 3.07Š| ||
| 88 | R | 56.4 | Low | 70.1 | Confident | 184 Ų | 184 | 106.2 Ų | 106.2 | 69% | 0.694 | 56% | 0.558 | S | S | * | * | trans | -56.4 | 107.1 | 168.9 | -82.5 | -176.9 | 179.5 | -179 | 1.1 | 104.4 | K86 R90 | K86-R88 PolarHBondContact O-N 2.83Å; R88-R90 PolarHBondContact O-N 2.75Å; R88-R90 VanDerWaalsContact O-N 3.07Å | ||
| 89 | K | 57.9 | Low | 70.2 | Confident | 184 Ų | 184 | 108.1 Ų | 108.1 | 80% | 0.8 | 57% | 0.569 | S | S | * | * | trans | -54.3 | 122.8 | -179.2 | -73 | 177.7 | -179.7 | 173.4 | 0 | 106 | K87 | K87-K89 PolarHBondContact O-N 3.07Š| ||
| 90 | R | 61.9 | Low | 70.5 | Confident | 217 Ų | 217 | 110.9 Ų | 110.9 | 82% | 0.819 | 58% | 0.582 | S | S | * | * | trans | -42.8 | 135.9 | 169.4 | -71.9 | -177.1 | 177.8 | -176.6 | -0.7 | 108.2 | R88 H92 | R88-R90 PolarHBondContact O-N 2.75Å; R88-R90 VanDerWaalsContact O-N 3.07Å; R90-H92 PolarHBondContact O-N 2.86Å | ||
| 91 | P | 69.4 | Low | 71.2 | Confident | 107 Ų | 107 | 112.3 Ų | 112.3 | 70% | 0.695 | 58% | 0.576 | S | S | * | * | trans | -54.8 | 143.4 | 179.9 | 22.9 | -32.3 | 0 | 0 | 0 | 109.7 | I93 | P91-I93 PolarHBondContact O-N 2.61Š| ||
| 92 | H | 80.3 | Confident | 71.8 | Confident | 187 Ų | 187 | 116.5 Ų | 116.5 | 87% | 0.866 | 58% | 0.584 | S | S | * | * | trans | -66.3 | 104.4 | 177.7 | -67.9 | -53.9 | 0 | 0 | 0 | 109.2 | R90 | R90-H92 PolarHBondContact O-N 2.86Š| ||
| 93 | I | 81.4 | Confident | 72.9 | Confident | 144 Ų | 144 | 121.5 Ų | 121.5 | 74% | 0.738 | 59% | 0.594 | S | S | * | * | trans | -104.7 | 156.9 | 174.4 | 58.7 | 169.9 | 0 | 0 | 0 | 110.2 | P91 E95 | P91-I93 PolarHBondContact O-N 2.61Å; I93-E95 PolarHBondContact O-N 3.13Å | ||
| 94 | F | 80.5 | Confident | 74.1 | Confident | 155 Ų | 155 | 121 Ų | 121 | 68% | 0.68 | 58% | 0.579 | S | S | * | * | trans | -63.2 | 118.6 | 172.8 | -178.5 | -99.1 | 0 | 0 | 0 | 109.7 | S96 R101 | F94-S96 PolarHBondContact O-N 3.46Å; F94-R101 VanDerWaalsContact CE1-NH2 3.34Å | ||
| 95 | E | 83.3 | Confident | 75.4 | Confident | 49 Ų | 49 | 119.2 Ų | 119.2 | 23% | 0.229 | 56% | 0.563 | C | S | . | * | trans | -66.3 | 124.1 | 172.4 | 179 | 53.7 | -106.3 | 0 | 0 | 108.6 | I93 N97 I100 R101 Q104 | I93-E95 PolarHBondContact O-N 3.13Å; E95-N97 WeakPolarHBondContact OE1-CB 3.2Å; E95-N97 PolarHBondContact OE1-N 2.87Å; E95-I100 HydrophobicContact CG-CB 3.95Å; E95-I100 HydrophobicContact CG-CG2 3.91Å; E95-I100 VanDerWaalsContact OE2-CG2 3.24Å; E95-I100 WeakPolarHBondContact OE2-CG2 3.36Å; E95-R101 HydrophobicContact CB-CB 4.33Å; E95-R101 HydrophobicContact CG-CB 3.95Å; E95-R101 PolarHBondContact O-NH1 3.3Å; E95-R101 PolarHBondContact O-NH2 3.21Å; E95-Q104 PolarHBondContact OE2-NE2 2.9Å | ||
| 96 | S | 82.3 | Confident | 77 | Confident | 45 Ų | 45 | 120.7 Ų | 120.7 | 32% | 0.315 | 56% | 0.561 | S | S | . | * | trans | -83.3 | -39.1 | 178.6 | -65.1 | 0 | 0 | 0 | 0 | 110.7 | F94 P98 R101 | F94-S96 PolarHBondContact O-N 3.46Å; S96-P98 WeakPolarHBondContact O-CD 3.44Å; S96-R101 PolarHBondContact O-NH2 3.29Å | ||
| 97 | N | 77.2 | Confident | 79.1 | Confident | 37 Ų | 37 | 118.3 Ų | 118.3 | 20% | 0.198 | 55% | 0.547 | C | S | . | . | trans | -70.3 | 119.2 | -175 | -175.5 | -34.4 | 0 | 0 | 0 | 111.8 | E95 S99 I100 R101 I190 | E95-N97 WeakPolarHBondContact OE1-CB 3.2Å; E95-N97 PolarHBondContact OE1-N 2.87Å; N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 2.9Å; N97-S99 WeakPolarHBondContact OD1-CB 3.36Å; N97-S99 PolarHBondContact OD1-N 2.9Å; N97-S99 PolarHBondContact OD1-OG 2.99Å; N97-I100 HydrophobicContact CB-CB 4.11Å; N97-I100 HydrophobicContact CB-CD1 3.89Å; N97-I100 HydrophobicContact CB-CG1 3.99Å; N97-I100 PolarHBondContact O-N 3.43Å; N97-I100 PolarHBondContact OD1-N 3.16Å; N97-R101 VanDerWaalsContact O-CB 3.28Å; N97-R101 WeakPolarHBondContact O-CB 3.43Å; N97-R101 PolarHBondContact O-N 3.02Å; N97-I190 HydrophobicContact CB-CD1 4.42Å; N97-I190 HydrophobicContact CB-CG1 4.21Å | ||
| 98 | P | 80.2 | Confident | 81 | Confident | 57 Ų | 57 | 113.1 Ų | 113.1 | 37% | 0.37 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -34.5 | -178 | -26.3 | 36.6 | 0 | 0 | 0 | 114.8 | S96 K102 D188 | S96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-K102 WeakPolarHBondContact O-CB 3.31Å; P98-K102 PolarHBondContact O-N 3.03Å; P98-D188 WeakPolarHBondContact CD-O 3.2Å; P98-D188 WeakPolarHBondContact CG-O 3.37Å |
| 99 | S | 79.3 | Confident | 82.8 | Confident | 78 Ų | 78 | 105.7 Ų | 105.7 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.3 | -45.8 | -179.8 | 70 | 0 | 0 | 0 | 0 | 111.4 | N97 R101 K102 R103 | N97-S99 VanDerWaalsContact C-N 3.32Å; N97-S99 PolarHBondContact O-N 2.9Å; N97-S99 WeakPolarHBondContact OD1-CB 3.36Å; N97-S99 PolarHBondContact OD1-N 2.9Å; N97-S99 PolarHBondContact OD1-OG 2.99Å; S99-R101 VanDerWaalsContact C-N 3.35Å; S99-K102 PolarHBondContact O-N 3.3Å; S99-R103 PolarHBondContact O-N 3.22Å |
| 100 | I | 83.1 | Confident | 84.6 | Confident | 67 Ų | 67 | 106.2 Ų | 106.2 | 34% | 0.344 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 177 | -58.8 | 179 | 0 | 0 | 0 | 109.3 | E95 N97 K102 R103 Q104 | E95-I100 HydrophobicContact CG-CB 3.95Å; E95-I100 HydrophobicContact CG-CG2 3.91Å; E95-I100 VanDerWaalsContact OE2-CG2 3.24Å; E95-I100 WeakPolarHBondContact OE2-CG2 3.36Å; N97-I100 HydrophobicContact CB-CB 4.11Å; N97-I100 HydrophobicContact CB-CD1 3.89Å; N97-I100 HydrophobicContact CB-CG1 3.99Å; N97-I100 PolarHBondContact O-N 3.43Å; N97-I100 PolarHBondContact OD1-N 3.16Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.63Å; I100-R103 PolarHBondContact O-N 3.32Å; I100-Q104 HydrophobicContact CG2-CG 4.13Å; I100-Q104 VanDerWaalsContact CG2-NE2 3.34Å; I100-Q104 WeakPolarHBondContact O-CB 3.39Å; I100-Q104 VanDerWaalsContact O-CG 3.3Å; I100-Q104 WeakPolarHBondContact O-CG 3.33Å; I100-Q104 PolarHBondContact O-N 2.93Å |
| 101 | R | 87.6 | Confident | 86.2 | Confident | 82 Ų | 82 | 102.1 Ų | 102.1 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.3 | -47 | 174.8 | -170.8 | -160.3 | -50.3 | -84.4 | -0.1 | 111.5 | F94 E95 S96 N97 S99 Q104 Q105 | F94-R101 VanDerWaalsContact CE1-NH2 3.34Å; E95-R101 HydrophobicContact CB-CB 4.33Å; E95-R101 HydrophobicContact CG-CB 3.95Å; E95-R101 PolarHBondContact O-NH1 3.3Å; E95-R101 PolarHBondContact O-NH2 3.21Å; S96-R101 PolarHBondContact O-NH2 3.29Å; N97-R101 VanDerWaalsContact O-CB 3.28Å; N97-R101 WeakPolarHBondContact O-CB 3.43Å; N97-R101 PolarHBondContact O-N 3.02Å; S99-R101 VanDerWaalsContact C-N 3.35Å; R101-Q104 PolarHBondContact O-N 2.73Å; R101-Q105 VanDerWaalsContact O-CB 3.23Å; R101-Q105 WeakPolarHBondContact O-CB 3.21Å; R101-Q105 PolarHBondContact O-N 2.99Å |
| 102 | K | 86.3 | Confident | 87.5 | Confident | 146 Ų | 146 | 100.9 Ų | 100.9 | 64% | 0.635 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 177.3 | -172.5 | 176.8 | -179.5 | -177.3 | 0 | 111.4 | P98 S99 I100 Q105 T106 | P98-K102 WeakPolarHBondContact O-CB 3.31Å; P98-K102 PolarHBondContact O-N 3.03Å; S99-K102 PolarHBondContact O-N 3.3Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.63Å; K102-Q105 PolarHBondContact O-N 2.92Å; K102-T106 PolarHBondContact O-N 2.87Å; K102-T106 PolarHBondContact O-OG1 2.89Å; K102-T106 VanDerWaalsContact O-OG1 3.1Å |
| 103 | R | 89.1 | Confident | 88.2 | Confident | 187 Ų | 187 | 97.8 Ų | 97.8 | 71% | 0.706 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.7 | -46.1 | 176.3 | -175.9 | 179.3 | 177 | -132.6 | 3 | 112 | S99 I100 T106 R107 | S99-R103 PolarHBondContact O-N 3.22Å; I100-R103 PolarHBondContact O-N 3.32Å; R103-T106 PolarHBondContact O-N 3.31Å; R103-R107 WeakPolarHBondContact O-CB 3.43Å; R103-R107 PolarHBondContact O-N 2.96Å; R103-R107 VanDerWaalsContact O-N 3.08Å |
| 104 | Q | 91.9 | Very high | 88.9 | Confident | 63 Ų | 63 | 93.8 Ų | 93.8 | 29% | 0.294 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.8 | -46.7 | 176.4 | -72.3 | 179.1 | 10.8 | 0 | 0 | 110.9 | E95 I100 R101 T106 R107 L108 | E95-Q104 PolarHBondContact OE2-NE2 2.9Å; I100-Q104 HydrophobicContact CG2-CG 4.13Å; I100-Q104 VanDerWaalsContact CG2-NE2 3.34Å; I100-Q104 WeakPolarHBondContact O-CB 3.39Å; I100-Q104 VanDerWaalsContact O-CG 3.3Å; I100-Q104 WeakPolarHBondContact O-CG 3.33Å; I100-Q104 PolarHBondContact O-N 2.93Å; R101-Q104 PolarHBondContact O-N 2.73Å; Q104-T106 PolarHBondContact O-N 3.41Å; Q104-R107 PolarHBondContact O-N 2.97Å; Q104-L108 WeakPolarHBondContact O-CB 3.22Å; Q104-L108 VanDerWaalsContact O-CG 3.27Å; Q104-L108 WeakPolarHBondContact O-CG 3.44Å; Q104-L108 PolarHBondContact O-N 3.44Å |
| 105 | Q | 91.4 | Very high | 89.6 | Confident | 75 Ų | 75 | 90.6 Ų | 90.6 | 35% | 0.35 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -55.9 | -52.2 | 176.6 | -178 | -177.2 | 24.2 | 0 | 0 | 111.1 | R101 K102 R107 L108 L109 | R101-Q105 VanDerWaalsContact O-CB 3.23Å; R101-Q105 WeakPolarHBondContact O-CB 3.21Å; R101-Q105 PolarHBondContact O-N 2.99Å; K102-Q105 PolarHBondContact O-N 2.92Å; Q105-R107 VanDerWaalsContact C-N 3.32Å; Q105-R107 PolarHBondContact O-N 3.09Å; Q105-L108 PolarHBondContact O-N 2.91Å; Q105-L109 HydrophobicContact CG-CD1 3.73Å; Q105-L109 HydrophobicContact CG-CG 4.18Å; Q105-L109 VanDerWaalsContact O-CB 3.31Å; Q105-L109 WeakPolarHBondContact O-CB 3.25Å; Q105-L109 VanDerWaalsContact O-CG 3.25Å; Q105-L109 WeakPolarHBondContact O-CG 3.49Å; Q105-L109 PolarHBondContact O-N 3.43Å |
| 106 | T | 92.4 | Very high | 90.3 | Very high | 84 Ų | 84 | 89.1 Ų | 89.1 | 52% | 0.515 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 179 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | K102 R103 Q104 R110 | K102-T106 PolarHBondContact O-N 2.87Å; K102-T106 PolarHBondContact O-OG1 2.89Å; K102-T106 VanDerWaalsContact O-OG1 3.1Å; R103-T106 PolarHBondContact O-N 3.31Å; Q104-T106 PolarHBondContact O-N 3.41Å; T106-R110 PolarHBondContact O-N 3.04Å; T106-R110 VanDerWaalsContact O-N 3.08Å |
| 107 | R | 94.9 | Very high | 90.8 | Very high | 135 Ų | 135 | 90.9 Ų | 90.9 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 179 | -175.1 | 178.8 | 67.3 | -170.5 | -0.9 | 112.1 | R103 Q104 Q105 K111 | R103-R107 WeakPolarHBondContact O-CB 3.43Å; R103-R107 PolarHBondContact O-N 2.96Å; R103-R107 VanDerWaalsContact O-N 3.08Å; Q104-R107 PolarHBondContact O-N 2.97Å; Q105-R107 VanDerWaalsContact C-N 3.32Å; Q105-R107 PolarHBondContact O-N 3.09Å; R107-K111 PolarHBondContact O-N 3.48Å |
| 108 | L | 94.8 | Very high | 91.7 | Very high | 92 Ų | 92 | 93.7 Ų | 93.7 | 48% | 0.482 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.2 | -41.6 | -178.9 | -69.5 | 174.3 | 0 | 0 | 0 | 111.4 | Q104 Q105 R110 K111 L112 | Q104-L108 WeakPolarHBondContact O-CB 3.22Å; Q104-L108 VanDerWaalsContact O-CG 3.27Å; Q104-L108 WeakPolarHBondContact O-CG 3.44Å; Q104-L108 PolarHBondContact O-N 3.44Å; Q105-L108 PolarHBondContact O-N 2.91Å; L108-R110 VanDerWaalsContact C-N 3.33Å; L108-R110 PolarHBondContact O-N 3.08Å; L108-K111 PolarHBondContact O-N 2.94Å; L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.37Å |
| 109 | L | 94 | Very high | 92.5 | Very high | 28 Ų | 28 | 95.8 Ų | 95.8 | 15% | 0.147 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 177 | -73 | 180 | 0 | 0 | 0 | 112.5 | Q105 L112 R113 F144 | Q105-L109 HydrophobicContact CG-CD1 3.73Å; Q105-L109 HydrophobicContact CG-CG 4.18Å; Q105-L109 VanDerWaalsContact O-CB 3.31Å; Q105-L109 WeakPolarHBondContact O-CB 3.25Å; Q105-L109 VanDerWaalsContact O-CG 3.25Å; Q105-L109 WeakPolarHBondContact O-CG 3.49Å; Q105-L109 PolarHBondContact O-N 3.43Å; L109-L112 PolarHBondContact O-N 3.04Å; L109-R113 WeakPolarHBondContact O-CG 3.35Å; L109-R113 PolarHBondContact O-N 3.48Å; L109-F144 HydrophobicContact CD2-CE1 3.76Å; L109-F144 HydrophobicContact CD2-CZ 3.99Å |
| 110 | R | 94.9 | Very high | 93.3 | Very high | 195 Ų | 195 | 93.2 Ų | 93.2 | 74% | 0.736 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 173.7 | -176.9 | -177.8 | -79.1 | -177.2 | -4.5 | 111.3 | T106 L108 R113 A114 | T106-R110 PolarHBondContact O-N 3.04Å; T106-R110 VanDerWaalsContact O-N 3.08Å; L108-R110 VanDerWaalsContact C-N 3.33Å; L108-R110 PolarHBondContact O-N 3.08Å; R110-R113 PolarHBondContact O-N 2.74Å; R110-A114 PolarHBondContact O-N 3.12Å |
| 111 | K | 96.1 | Very high | 93.9 | Very high | 132 Ų | 132 | 95.5 Ų | 95.5 | 57% | 0.574 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.6 | -45.2 | 177.9 | -69.5 | -175.1 | 177.9 | -165.7 | 0 | 111.7 | R107 L108 R113 A114 T115 | R107-K111 PolarHBondContact O-N 3.48Å; L108-K111 PolarHBondContact O-N 2.94Å; K111-R113 VanDerWaalsContact C-N 3.33Å; K111-R113 PolarHBondContact O-N 3.42Å; K111-A114 PolarHBondContact O-N 3.25Å; K111-T115 PolarHBondContact O-N 3Å; K111-T115 PolarHBondContact O-OG1 3.21Å; K111-T115 VanDerWaalsContact O-OG1 3.12Å |
| 112 | L | 96.6 | Very high | 94.3 | Very high | 80 Ų | 80 | 100.9 Ų | 100.9 | 42% | 0.419 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 177.7 | -75.5 | 172.5 | 0 | 0 | 0 | 112 | L108 L109 T115 L116 V129 F144 | L108-L112 WeakPolarHBondContact O-CG 3.31Å; L108-L112 PolarHBondContact O-N 3.37Å; L109-L112 PolarHBondContact O-N 3.04Å; L112-T115 PolarHBondContact O-N 3.34Å; L112-L116 WeakPolarHBondContact O-CB 3.44Å; L112-L116 PolarHBondContact O-N 3.21Å; L112-V129 HydrophobicContact CD1-CG1 4.48Å; L112-F144 HydrophobicContact CB-CE2 4.44Å; L112-F144 HydrophobicContact CB-CZ 4.17Å |
| 113 | R | 94.9 | Very high | 94.8 | Very high | 122 Ų | 122 | 97.6 Ų | 97.6 | 46% | 0.46 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.4 | -53.3 | 173.1 | -80.3 | 176.5 | -170.4 | -87.9 | -2.2 | 111.8 | L109 R110 K111 T115 L116 D117 F144 | L109-R113 WeakPolarHBondContact O-CG 3.35Å; L109-R113 PolarHBondContact O-N 3.48Å; R110-R113 PolarHBondContact O-N 2.74Å; K111-R113 VanDerWaalsContact C-N 3.33Å; K111-R113 PolarHBondContact O-N 3.42Å; R113-T115 VanDerWaalsContact C-N 3.33Å; R113-T115 PolarHBondContact O-N 3.39Å; R113-L116 WeakPolarHBondContact O-CB 3.4Å; R113-L116 PolarHBondContact O-N 2.93Å; R113-L116 VanDerWaalsContact O-N 3.09Å; R113-D117 WeakPolarHBondContact O-CB 3.27Å; R113-D117 PolarHBondContact O-N 2.93Å; R113-F144 HydrophobicContact CB-CD2 4.46Å; R113-F144 HydrophobicContact CB-CE2 4.17Å; R113-F144 HydrophobicContact CG-CD2 3.34Å; R113-F144 HydrophobicContact CG-CE2 3.24Å; R113-F144 HydrophobicContact CG-CG 4.12Å; R113-F144 HydrophobicContact CG-CZ 3.95Å; R113-F144 VanDerWaalsContact CZ-CB 3.42Å; R113-F144 VanDerWaalsContact NH2-CB 3.34Å |
| 114 | A | 95.4 | Very high | 95.1 | Very high | 60 Ų | 60 | 91.6 Ų | 91.6 | 50% | 0.496 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58 | -44.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R110 K111 L116 D117 E118 | R110-A114 PolarHBondContact O-N 3.12Å; K111-A114 PolarHBondContact O-N 3.25Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.26Å; A114-D117 PolarHBondContact O-N 3.33Å; A114-E118 WeakPolarHBondContact O-CB 3.5Å; A114-E118 PolarHBondContact O-N 3.48Å |
| 115 | T | 96.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 93.7 Ų | 93.7 | 54% | 0.54 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 177 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | K111 L112 R113 Y119 | K111-T115 PolarHBondContact O-N 3Å; K111-T115 PolarHBondContact O-OG1 3.21Å; K111-T115 VanDerWaalsContact O-OG1 3.12Å; L112-T115 PolarHBondContact O-N 3.34Å; R113-T115 VanDerWaalsContact C-N 3.33Å; R113-T115 PolarHBondContact O-N 3.39Å; T115-Y119 WeakPolarHBondContact O-CB 3.3Å; T115-Y119 PolarHBondContact O-N 3.49Å |
| 116 | L | 96.3 | Very high | 95.5 | Very high | 18 Ų | 18 | 95 Ų | 95 | 9% | 0.094 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -70 | -41.1 | 179.5 | -169.9 | 69 | 0 | 0 | 0 | 111.9 | L112 R113 A114 E118 Y119 T120 A127 V129 F144 | L112-L116 WeakPolarHBondContact O-CB 3.44Å; L112-L116 PolarHBondContact O-N 3.21Å; R113-L116 WeakPolarHBondContact O-CB 3.4Å; R113-L116 PolarHBondContact O-N 2.93Å; R113-L116 VanDerWaalsContact O-N 3.09Å; A114-L116 VanDerWaalsContact C-N 3.34Å; A114-L116 PolarHBondContact O-N 3.26Å; L116-E118 VanDerWaalsContact C-N 3.34Å; L116-Y119 PolarHBondContact O-N 3.19Å; L116-T120 HydrophobicContact CG-CG2 4.46Å; L116-T120 WeakPolarHBondContact O-CB 3.43Å; L116-T120 WeakPolarHBondContact O-CG2 3.15Å; L116-T120 PolarHBondContact O-N 3.35Å; L116-T120 PolarHBondContact O-OG1 2.86Å; L116-A127 HydrophobicContact CD1-CB 3.44Å; L116-A127 VanDerWaalsContact CD1-CB 3.44Å; L116-V129 HydrophobicContact CD2-CG2 4.15Å; L116-F144 HydrophobicContact CD2-CD2 3.92Å; L116-F144 HydrophobicContact CD2-CE2 4.04Å; L116-F144 WeakPolarHBondContact CD2-O 3.38Å |
| 117 | D | 94.5 | Very high | 95.6 | Very high | 83 Ų | 83 | 92 Ų | 92 | 44% | 0.444 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 176.4 | -66 | -22.1 | 0 | 0 | 0 | 110.5 | R113 A114 T120 T121 | R113-D117 WeakPolarHBondContact O-CB 3.27Å; R113-D117 PolarHBondContact O-N 2.93Å; A114-D117 PolarHBondContact O-N 3.33Å; D117-T120 PolarHBondContact O-OG1 2.87Å; D117-T120 VanDerWaalsContact O-OG1 3.08Å; D117-T121 VanDerWaalsContact O-CB 3.25Å; D117-T121 WeakPolarHBondContact O-CB 3.48Å; D117-T121 PolarHBondContact O-N 3.43Å; D117-T121 PolarHBondContact O-OG1 2.88Å |
| 118 | E | 96.2 | Very high | 95.6 | Very high | 96 Ų | 96 | 87.7 Ų | 87.7 | 45% | 0.449 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 173.3 | -179 | 169.3 | -155.2 | 0 | 0 | 112 | A114 L116 T121 R122 | A114-E118 WeakPolarHBondContact O-CB 3.5Å; A114-E118 PolarHBondContact O-N 3.48Å; L116-E118 VanDerWaalsContact C-N 3.34Å; E118-T121 PolarHBondContact O-N 3.08Å; E118-R122 HydrophobicContact CG-CG 4.17Å; E118-R122 VanDerWaalsContact O-CB 3.31Å; E118-R122 WeakPolarHBondContact O-CB 3.46Å; E118-R122 WeakPolarHBondContact O-CG 3.49Å; E118-R122 PolarHBondContact O-N 3.2Å; E118-R122 IonicContact OE1-CZ 2.91Å; E118-R122 IonicContact OE1-NE 3.47Å; E118-R122 PolarHBondContact OE1-NE 3.49Å; E118-R122 IonicContact OE1-NH2 3.33Å; E118-R122 PolarHBondContact OE1-NH2 3.27Å |
| 119 | Y | 97 | Very high | 95.7 | Very high | 101 Ų | 101 | 84.8 Ų | 84.8 | 40% | 0.396 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.1 | -49.9 | 179.7 | -179 | -96.3 | 0 | 0 | 0 | 112 | T115 L116 T121 V123 Q125 A127 | T115-Y119 WeakPolarHBondContact O-CB 3.3Å; T115-Y119 PolarHBondContact O-N 3.49Å; L116-Y119 PolarHBondContact O-N 3.19Å; Y119-T121 VanDerWaalsContact C-N 3.28Å; Y119-T121 PolarHBondContact O-N 2.86Å; Y119-V123 HydrophobicContact CD2-CB 4.47Å; Y119-V123 HydrophobicContact CD2-CG2 3.73Å; Y119-V123 HydrophobicContact CE2-CB 4.35Å; Y119-V123 HydrophobicContact CE2-CG1 4.43Å; Y119-V123 HydrophobicContact CE2-CG2 3.81Å; Y119-V123 HydrophobicContact CG-CG2 4.29Å; Y119-V123 WeakPolarHBondContact O-CB 3.45Å; Y119-V123 WeakPolarHBondContact O-CG2 3.34Å; Y119-V123 PolarHBondContact O-N 3.29Å; Y119-Q125 HydrophobicContact CE1-CB 4.01Å; Y119-Q125 PolarHBondContact OH-OE1 2.98Å; Y119-A127 HydrophobicContact CD1-CB 3.97Å; Y119-A127 HydrophobicContact CE1-CB 4.08Å |
| 120 | T | 96.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 86.2 Ų | 86.2 | 15% | 0.147 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.2 | -36.4 | -179.4 | 55 | 0 | 0 | 0 | 0 | 111.7 | L116 D117 G124 Q125 A127 A146 | L116-T120 HydrophobicContact CG-CG2 4.46Å; L116-T120 WeakPolarHBondContact O-CB 3.43Å; L116-T120 WeakPolarHBondContact O-CG2 3.15Å; L116-T120 PolarHBondContact O-N 3.35Å; L116-T120 PolarHBondContact O-OG1 2.86Å; D117-T120 PolarHBondContact O-OG1 2.87Å; D117-T120 VanDerWaalsContact O-OG1 3.08Å; T120-G124 VanDerWaalsContact O-CA 3.22Å; T120-G124 WeakPolarHBondContact O-CA 3.36Å; T120-G124 PolarHBondContact O-N 3.27Å; T120-G124 VanDerWaalsContact O-N 3.09Å; T120-Q125 WeakPolarHBondContact CA-O 3.38Å; T120-Q125 WeakPolarHBondContact CG2-O 3.41Å; T120-A127 HydrophobicContact CG2-CB 4.11Å; T120-A146 HydrophobicContact CG2-CB 4.03Å |
| 121 | T | 94.3 | Very high | 95.6 | Very high | 115 Ų | 115 | 78.7 Ų | 78.7 | 71% | 0.706 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -76.4 | -46.8 | 179.3 | -55 | 0 | 0 | 0 | 0 | 112.6 | D117 E118 Y119 | D117-T121 VanDerWaalsContact O-CB 3.25Å; D117-T121 WeakPolarHBondContact O-CB 3.48Å; D117-T121 PolarHBondContact O-N 3.43Å; D117-T121 PolarHBondContact O-OG1 2.88Å; E118-T121 PolarHBondContact O-N 3.08Å; Y119-T121 VanDerWaalsContact C-N 3.28Å; Y119-T121 PolarHBondContact O-N 2.86Å |
| 122 | R | 97 | Very high | 95.3 | Very high | 195 Ų | 195 | 74.2 Ų | 74.2 | 74% | 0.736 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -77.7 | -38.1 | -175.6 | -67.8 | -172.6 | -171.1 | -108.6 | 10.7 | 113 | E118 | E118-R122 HydrophobicContact CG-CG 4.17Å; E118-R122 VanDerWaalsContact O-CB 3.31Å; E118-R122 WeakPolarHBondContact O-CB 3.46Å; E118-R122 WeakPolarHBondContact O-CG 3.49Å; E118-R122 PolarHBondContact O-N 3.2Å; E118-R122 IonicContact OE1-CZ 2.91Å; E118-R122 IonicContact OE1-NE 3.47Å; E118-R122 PolarHBondContact OE1-NE 3.49Å; E118-R122 IonicContact OE1-NH2 3.33Å; E118-R122 PolarHBondContact OE1-NH2 3.27Å |
| 123 | V | 97 | Very high | 94.8 | Very high | 77 Ų | 77 | 73 Ų | 73 | 47% | 0.467 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -91.9 | -23.8 | -176.3 | -169.6 | 0 | 0 | 0 | 0 | 111.1 | Y119 Q125 | Y119-V123 HydrophobicContact CD2-CB 4.47Å; Y119-V123 HydrophobicContact CD2-CG2 3.73Å; Y119-V123 HydrophobicContact CE2-CB 4.35Å; Y119-V123 HydrophobicContact CE2-CG1 4.43Å; Y119-V123 HydrophobicContact CE2-CG2 3.81Å; Y119-V123 HydrophobicContact CG-CG2 4.29Å; Y119-V123 WeakPolarHBondContact O-CB 3.45Å; Y119-V123 WeakPolarHBondContact O-CG2 3.34Å; Y119-V123 PolarHBondContact O-N 3.29Å; V123-Q125 VanDerWaalsContact C-N 3.25Å; V123-Q125 HydrophobicContact CG1-CB 4.38Å; V123-Q125 HydrophobicContact CG1-CG 3.94Å; V123-Q125 PolarHBondContact O-N 3.45Å |
| 124 | G | 94 | Very high | 93.9 | Very high | 60 Ų | 60 | 69.1 Ų | 69.1 | 62% | 0.619 | 39% | 0.385 | S | S | * | . | trans | 75.1 | 12 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | T120 | T120-G124 VanDerWaalsContact O-CA 3.22Å; T120-G124 WeakPolarHBondContact O-CA 3.36Å; T120-G124 PolarHBondContact O-N 3.27Å; T120-G124 VanDerWaalsContact O-N 3.09Å | ||
| 125 | Q | 96.3 | Very high | 92.6 | Very high | 108 Ų | 108 | 69.5 Ų | 69.5 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | trans | -93.4 | 150.4 | 178.8 | -72.5 | -175.6 | 1.5 | 0 | 0 | 112 | Y119 T120 V123 | Y119-Q125 HydrophobicContact CE1-CB 4.01Å; Y119-Q125 PolarHBondContact OH-OE1 2.98Å; T120-Q125 WeakPolarHBondContact CA-O 3.38Å; T120-Q125 WeakPolarHBondContact CG2-O 3.41Å; V123-Q125 VanDerWaalsContact C-N 3.25Å; V123-Q125 HydrophobicContact CG1-CB 4.38Å; V123-Q125 HydrophobicContact CG1-CG 3.94Å; V123-Q125 PolarHBondContact O-N 3.45Å | ||
| 126 | Q | 95.4 | Very high | 91 | Very high | 103 Ų | 103 | 73 Ų | 73 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | trans | -84.6 | 118 | 176.2 | -60.9 | -67.8 | -67.1 | 0 | 0 | 109.6 | A146 P148 L149 | Q126-A146 HydrophobicContact CB-CB 4.31Å; Q126-A146 VanDerWaalsContact OE1-CB 3.25Å; Q126-P148 VanDerWaalsContact OE1-CD 3.3Å; Q126-L149 HydrophobicContact CB-CB 4.11Å; Q126-L149 HydrophobicContact CB-CD2 4.09Å | ||
| 127 | A | 95.6 | Very high | 89.5 | Confident | 20 Ų | 20 | 77.7 Ų | 77.7 | 17% | 0.165 | 42% | 0.423 | C | S | . | . | trans | -136.8 | 147.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | L116 Y119 T120 A146 | L116-A127 HydrophobicContact CD1-CB 3.44Å; L116-A127 VanDerWaalsContact CD1-CB 3.44Å; Y119-A127 HydrophobicContact CD1-CB 3.97Å; Y119-A127 HydrophobicContact CE1-CB 4.08Å; T120-A127 HydrophobicContact CG2-CB 4.11Å; A127-A146 PolarHBondContact O-N 3.48Å | ||
| 128 | I | 95.8 | Very high | 88.5 | Confident | 44 Ų | 44 | 79.9 Ų | 79.9 | 23% | 0.226 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 158.3 | 177.2 | 59.8 | 141.6 | 0 | 0 | 0 | 110.9 | L130 V143 F144 L149 E150 V153 | I128-L130 HydrophobicContact CD1-CB 4.42Å; I128-V143 HydrophobicContact CB-CG2 4.33Å; I128-V143 HydrophobicContact CD1-CG2 3.66Å; I128-F144 CarbonylContact C-O 3.47Å; I128-F144 VanDerWaalsContact CA-O 3.31Å; I128-F144 WeakPolarHBondContact CA-O 3.1Å; I128-L149 HydrophobicContact CG1-CD2 4Å; I128-L149 HydrophobicContact CG1-CG 4.19Å; I128-L149 HydrophobicContact CG2-CB 4.04Å; I128-L149 HydrophobicContact CG2-CD2 4Å; I128-L149 HydrophobicContact CG2-CG 3.85Å; I128-E150 HydrophobicContact CG2-CB 4.29Å; I128-V153 HydrophobicContact CD1-CB 4.1Å; I128-V153 HydrophobicContact CD1-CG1 4.06Å; I128-V153 HydrophobicContact CD1-CG2 3.65Å |
| 129 | V | 96.1 | Very high | 88 | Confident | 32 Ų | 32 | 78.4 Ų | 78.4 | 19% | 0.194 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.3 | 165 | 172.2 | 0 | 0 | 0 | 0 | 108.2 | L112 L116 V143 F144 | L112-V129 HydrophobicContact CD1-CG1 4.48Å; L116-V129 HydrophobicContact CD2-CG2 4.15Å; V129-V143 WeakPolarHBondContact O-CA 3.36Å; V129-F144 HydrophobicContact CB-CD1 4.38Å; V129-F144 HydrophobicContact CB-CD2 4.38Å; V129-F144 HydrophobicContact CB-CE1 3.77Å; V129-F144 HydrophobicContact CB-CE2 3.79Å; V129-F144 HydrophobicContact CB-CZ 3.48Å; V129-F144 VanDerWaalsContact CB-CZ 3.48Å; V129-F144 HydrophobicContact CG1-CE1 3.72Å; V129-F144 HydrophobicContact CG1-CE2 4.43Å; V129-F144 HydrophobicContact CG1-CZ 3.62Å; V129-F144 HydrophobicContact CG2-CE2 4.08Å; V129-F144 HydrophobicContact CG2-CZ 4.03Å; V129-F144 PolarHBondContact N-O 3.18Å; V129-F144 PolarHBondContact O-N 2.83Å; V129-F144 VanDerWaalsContact O-N 3.1Å |
| 130 | L | 94.4 | Very high | 87.5 | Confident | 58 Ų | 58 | 76.2 Ų | 76.2 | 30% | 0.304 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.9 | 177.5 | 177.1 | 64.9 | 0 | 0 | 0 | 109.5 | I128 V132 F141 V143 V153 M160 | I128-L130 HydrophobicContact CD1-CB 4.42Å; L130-V132 HydrophobicContact CD1-CG2 3.64Å; L130-V132 HydrophobicContact CD2-CG2 3.9Å; L130-V132 HydrophobicContact CG-CG2 3.6Å; L130-F141 HydrophobicContact CD1-CD2 4.28Å; L130-F141 HydrophobicContact CD1-CE1 4.12Å; L130-F141 HydrophobicContact CD1-CE2 3.8Å; L130-F141 HydrophobicContact CD1-CZ 3.71Å; L130-V143 HydrophobicContact CD1-CB 3.95Å; L130-V143 HydrophobicContact CD1-CG2 4.38Å; L130-V153 HydrophobicContact CD1-CG1 4.4Å; L130-V153 HydrophobicContact CD2-CG1 4.46Å; L130-M160 HydrophobicContact CD2-CE 3.33Å; L130-M160 HydrophobicContact CD2-SD 4.31Å |
| 131 | C | 92.6 | Very high | 87.4 | Confident | 37 Ų | 37 | 76.3 Ų | 76.3 | 25% | 0.25 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 114.4 | 173.4 | -57.5 | 0 | 0 | 0 | 0 | 108.8 | K142 | C131-K142 HydrophobicContact CB-CB 4.26Å; C131-K142 PolarHBondContact N-O 2.97Å; C131-K142 PolarHBondContact O-N 3.49Å |
| 132 | V | 90.1 | Very high | 87.3 | Confident | 37 Ų | 37 | 75.5 Ų | 75.5 | 22% | 0.224 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.2 | -177.8 | -168.4 | 0 | 0 | 0 | 0 | 110.1 | L130 V140 F141 L161 L164 | L130-V132 HydrophobicContact CD1-CG2 3.64Å; L130-V132 HydrophobicContact CD2-CG2 3.9Å; L130-V132 HydrophobicContact CG-CG2 3.6Å; V132-V140 CarbonylContact C-O 3.57Å; V132-V140 VanDerWaalsContact CA-O 3.27Å; V132-V140 WeakPolarHBondContact CA-O 3.49Å; V132-F141 HydrophobicContact CG1-CD2 4.36Å; V132-F141 HydrophobicContact CG2-CD2 3.94Å; V132-F141 HydrophobicContact CG2-CE2 4.2Å; V132-L161 HydrophobicContact CG1-CD2 3.38Å; V132-L161 HydrophobicContact CG1-CG 4.42Å; V132-L164 HydrophobicContact CB-CD2 3.73Å; V132-L164 HydrophobicContact CG1-CD2 3.51Å |
| 133 | S | 85.1 | Confident | 87.2 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 105.5 | 167.1 | -51.6 | 0 | 0 | 0 | 0 | 108 | S135 P139 V140 | S133-S135 PolarHBondContact O-N 3.11Å; S133-S135 VanDerWaalsContact O-N 3.12Å; S133-P139 WeakPolarHBondContact O-CA 3.2Å; S133-V140 PolarHBondContact N-O 3.13Å; S133-V140 PolarHBondContact O-N 2.79Å |
| 134 | P | 77.1 | Confident | 87.1 | Confident | 40 Ų | 40 | 62.9 Ų | 62.9 | 26% | 0.26 | 36% | 0.361 | S | S | . | . | trans | -71.7 | 106.3 | 172.4 | 26.7 | -25.3 | 0 | 0 | 0 | 107.1 | L164 E165 L168 | P134-L164 HydrophobicContact CG-CD2 4.24Å; P134-L164 HydrophobicContact CG-CG 4.35Å; P134-E165 HydrophobicContact CB-CB 4.49Å; P134-L168 HydrophobicContact CG-CD1 3.28Å | ||
| 135 | S | 67.6 | Low | 87.1 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 47% | 0.469 | 34% | 0.34 | S | S | . | . | trans | -141.5 | 104.1 | 176.8 | -64.3 | 0 | 0 | 0 | 0 | 107 | S133 P137 N138 P139 | S133-S135 PolarHBondContact O-N 3.11Å; S133-S135 VanDerWaalsContact O-N 3.12Å; S135-P137 CarbonylContact O-C 3.56Å; S135-N138 CarbonylContact O-C 3.55Å; S135-N138 WeakPolarHBondContact O-CA 3.33Å; S135-N138 PolarHBondContact O-N 2.96Å; S135-P139 VanDerWaalsContact O-N 3.13Å | ||
| 136 | K | 63.2 | Low | 87.1 | Confident | 163 Ų | 163 | 56.3 Ų | 56.3 | 71% | 0.709 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -73 | 129.5 | 172.8 | -69.6 | 172.5 | 177.9 | 156.9 | 0 | 107.5 | E165 | K136-E165 VanDerWaalsContact CE-OE1 3.23Å; K136-E165 WeakPolarHBondContact CE-OE1 3.2Å; K136-E165 VanDerWaalsContact CE-OE2 3.28Å; K136-E165 WeakPolarHBondContact CE-OE2 3.38Å; K136-E165 IonicContact NZ-OE1 3.87Å; K136-E165 PolarHBondContact NZ-OE1 3.19Å; K136-E165 IonicContact NZ-OE2 3.54Å; K136-E165 PolarHBondContact NZ-OE2 3.48Å |
| 137 | P | 64.6 | Low | 87 | Confident | 116 Ų | 116 | 54.2 Ų | 54.2 | 75% | 0.753 | 32% | 0.321 | S | S | * | . | S | Bend | cis | -92.2 | -11.1 | 12.8 | 35.1 | -35.7 | 0 | 0 | 0 | 116 | S135 P139 | S135-P137 CarbonylContact O-C 3.56Å; P137-P139 WeakPolarHBondContact O-CD 3.14Å |
| 138 | N | 73.8 | Confident | 86.9 | Confident | 129 Ų | 129 | 57.3 Ų | 57.3 | 69% | 0.69 | 34% | 0.339 | S | S | * | . | trans | -113.3 | 82.1 | -172.1 | -70.3 | -28.3 | 0 | 0 | 0 | 113 | S135 V140 | S135-N138 CarbonylContact O-C 3.55Å; S135-N138 WeakPolarHBondContact O-CA 3.33Å; S135-N138 PolarHBondContact O-N 2.96Å; N138-V140 PolarHBondContact O-N 3.41Å | ||
| 139 | P | 84.8 | Confident | 86.9 | Confident | 65 Ų | 65 | 57.9 Ų | 57.9 | 42% | 0.422 | 34% | 0.342 | S | S | . | . | trans | -68 | 130.4 | 177.7 | 27.6 | -34 | 0 | 0 | 0 | 110.6 | S133 S135 P137 L161 | S133-P139 WeakPolarHBondContact O-CA 3.2Å; S135-P139 VanDerWaalsContact O-N 3.13Å; P137-P139 WeakPolarHBondContact O-CD 3.14Å; P139-L161 HydrophobicContact CB-CD1 4.41Å; P139-L161 HydrophobicContact CB-CD2 4.19Å | ||
| 140 | V | 86.9 | Confident | 86.9 | Confident | 55 Ų | 55 | 58 Ų | 58 | 33% | 0.333 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122 | 174.4 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | V132 S133 N138 K142 | V132-V140 CarbonylContact C-O 3.57Å; V132-V140 VanDerWaalsContact CA-O 3.27Å; V132-V140 WeakPolarHBondContact CA-O 3.49Å; S133-V140 PolarHBondContact N-O 3.13Å; S133-V140 PolarHBondContact O-N 2.79Å; N138-V140 PolarHBondContact O-N 3.41Å; V140-K142 HydrophobicContact CG1-CD 4.23Å; V140-K142 HydrophobicContact CG1-CG 4.07Å |
| 141 | F | 93.3 | Very high | 87 | Confident | 25 Ų | 25 | 60.3 Ų | 60.3 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 100.5 | 172.4 | -171.2 | -85 | 0 | 0 | 0 | 109.1 | L130 V132 V143 V153 K157 L161 | L130-F141 HydrophobicContact CD1-CD2 4.28Å; L130-F141 HydrophobicContact CD1-CE1 4.12Å; L130-F141 HydrophobicContact CD1-CE2 3.8Å; L130-F141 HydrophobicContact CD1-CZ 3.71Å; V132-F141 HydrophobicContact CG1-CD2 4.36Å; V132-F141 HydrophobicContact CG2-CD2 3.94Å; V132-F141 HydrophobicContact CG2-CE2 4.2Å; F141-V143 HydrophobicContact CD1-CG1 4.48Å; F141-V143 HydrophobicContact CE1-CB 4.26Å; F141-V143 HydrophobicContact CE1-CG1 3.88Å; F141-V153 HydrophobicContact CZ-CG1 4.1Å; F141-K157 HydrophobicContact CB-CD 4.24Å; F141-K157 HydrophobicContact CB-CG 4.44Å; F141-K157 HydrophobicContact CD1-CB 4.41Å; F141-K157 HydrophobicContact CD1-CD 3.82Å; F141-K157 HydrophobicContact CD1-CG 3.91Å; F141-K157 HydrophobicContact CD2-CB 4.48Å; F141-K157 HydrophobicContact CD2-CD 4.43Å; F141-K157 HydrophobicContact CD2-CG 3.79Å; F141-K157 HydrophobicContact CE1-CB 4.02Å; F141-K157 HydrophobicContact CE1-CD 4.25Å; F141-K157 HydrophobicContact CE1-CG 4.03Å; F141-K157 HydrophobicContact CE2-CB 4.09Å; F141-K157 HydrophobicContact CE2-CG 3.9Å; F141-K157 HydrophobicContact CG-CD 3.91Å; F141-K157 HydrophobicContact CG-CG 3.79Å; F141-K157 HydrophobicContact CZ-CB 3.84Å; F141-K157 HydrophobicContact CZ-CG 4.01Å; F141-L161 HydrophobicContact CD2-CD1 4.35Å; F141-L161 HydrophobicContact CD2-CD2 4.4Å; F141-L161 HydrophobicContact CD2-CG 4.12Å |
| 142 | K | 92.1 | Very high | 87.2 | Confident | 99 Ų | 99 | 62 Ų | 62 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.7 | 178.7 | -65.7 | 179.5 | -177.9 | 178.8 | 0 | 108.7 | C131 V140 | C131-K142 HydrophobicContact CB-CB 4.26Å; C131-K142 PolarHBondContact N-O 2.97Å; C131-K142 PolarHBondContact O-N 3.49Å; V140-K142 HydrophobicContact CG1-CD 4.23Å; V140-K142 HydrophobicContact CG1-CG 4.07Å |
| 143 | V | 95.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.024 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 141.8 | 173.5 | 62.1 | 0 | 0 | 0 | 0 | 109 | I128 V129 L130 F141 E150 V153 R154 | I128-V143 HydrophobicContact CB-CG2 4.33Å; I128-V143 HydrophobicContact CD1-CG2 3.66Å; V129-V143 WeakPolarHBondContact O-CA 3.36Å; L130-V143 HydrophobicContact CD1-CB 3.95Å; L130-V143 HydrophobicContact CD1-CG2 4.38Å; F141-V143 HydrophobicContact CD1-CG1 4.48Å; F141-V143 HydrophobicContact CE1-CB 4.26Å; F141-V143 HydrophobicContact CE1-CG1 3.88Å; V143-E150 HydrophobicContact CG1-CG 3.98Å; V143-E150 HydrophobicContact CG2-CG 4.19Å; V143-V153 HydrophobicContact CG2-CB 4.37Å; V143-V153 HydrophobicContact CG2-CG1 4.01Å; V143-R154 HydrophobicContact CG1-CG 3.53Å; V143-R154 VanDerWaalsContact CG1-CZ 3.48Å; V143-R154 PolarHBondContact O-NH2 3.44Å |
| 144 | F | 94.9 | Very high | 88 | Confident | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.013 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 153.4 | 172.3 | 61.4 | -87.7 | 0 | 0 | 0 | 111.7 | L109 L112 R113 L116 I128 V129 E150 | L109-F144 HydrophobicContact CD2-CE1 3.76Å; L109-F144 HydrophobicContact CD2-CZ 3.99Å; L112-F144 HydrophobicContact CB-CE2 4.44Å; L112-F144 HydrophobicContact CB-CZ 4.17Å; R113-F144 HydrophobicContact CB-CD2 4.46Å; R113-F144 HydrophobicContact CB-CE2 4.17Å; R113-F144 HydrophobicContact CG-CD2 3.34Å; R113-F144 HydrophobicContact CG-CE2 3.24Å; R113-F144 HydrophobicContact CG-CG 4.12Å; R113-F144 HydrophobicContact CG-CZ 3.95Å; R113-F144 VanDerWaalsContact CZ-CB 3.42Å; R113-F144 VanDerWaalsContact NH2-CB 3.34Å; L116-F144 HydrophobicContact CD2-CD2 3.92Å; L116-F144 HydrophobicContact CD2-CE2 4.04Å; L116-F144 WeakPolarHBondContact CD2-O 3.38Å; I128-F144 CarbonylContact C-O 3.47Å; I128-F144 VanDerWaalsContact CA-O 3.31Å; I128-F144 WeakPolarHBondContact CA-O 3.1Å; V129-F144 HydrophobicContact CB-CD1 4.38Å; V129-F144 HydrophobicContact CB-CD2 4.38Å; V129-F144 HydrophobicContact CB-CE1 3.77Å; V129-F144 HydrophobicContact CB-CE2 3.79Å; V129-F144 HydrophobicContact CB-CZ 3.48Å; V129-F144 VanDerWaalsContact CB-CZ 3.48Å; V129-F144 HydrophobicContact CG1-CE1 3.72Å; V129-F144 HydrophobicContact CG1-CE2 4.43Å; V129-F144 HydrophobicContact CG1-CZ 3.62Å; V129-F144 HydrophobicContact CG2-CE2 4.08Å; V129-F144 HydrophobicContact CG2-CZ 4.03Å; V129-F144 PolarHBondContact N-O 3.18Å; V129-F144 PolarHBondContact O-N 2.83Å; V129-F144 VanDerWaalsContact O-N 3.1Å; F144-E150 WeakPolarHBondContact CA-OE2 3.45Å |
| 145 | G | 94.2 | Very high | 88.9 | Confident | 18 Ų | 18 | 70 Ų | 70 | 19% | 0.186 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.2 | -136.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | A147 E150 | G145-A147 PolarHBondContact O-N 3.39Å; G145-E150 PolarHBondContact N-OE2 3.43Å |
| 146 | A | 95.4 | Very high | 90.2 | Very high | 11 Ų | 11 | 72 Ų | 72 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -63.5 | 121.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T120 Q126 A127 L149 E150 | T120-A146 HydrophobicContact CG2-CB 4.03Å; Q126-A146 HydrophobicContact CB-CB 4.31Å; Q126-A146 VanDerWaalsContact OE1-CB 3.25Å; A127-A146 PolarHBondContact O-N 3.48Å; A146-L149 PolarHBondContact O-N 2.94Å; A146-E150 WeakPolarHBondContact O-CB 3.42Å; A146-E150 PolarHBondContact O-N 3.3Å |
| 147 | A | 93.4 | Very high | 91.6 | Very high | 60 Ų | 60 | 68.5 Ų | 68.5 | 50% | 0.496 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.3 | -42.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G145 L149 E150 N151 | G145-A147 PolarHBondContact O-N 3.39Å; A147-L149 PolarHBondContact O-N 3.48Å; A147-E150 PolarHBondContact O-N 3.27Å; A147-N151 WeakPolarHBondContact O-CB 3.5Å; A147-N151 PolarHBondContact O-N 3.3Å; A147-N151 PolarHBondContact O-ND2 2.92Å |
| 148 | P | 94.9 | Very high | 92.8 | Very high | 84 Ų | 84 | 67.4 Ų | 67.4 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 177.2 | -24.3 | 33.6 | 0 | 0 | 0 | 113.1 | Q126 N151 V152 | Q126-P148 VanDerWaalsContact OE1-CD 3.3Å; P148-N151 PolarHBondContact O-N 2.91Å; P148-V152 WeakPolarHBondContact O-CG2 3.33Å; P148-V152 PolarHBondContact O-N 3.01Å |
| 149 | L | 95.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 66 Ų | 66 | 29% | 0.293 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -71.8 | -36.7 | 179.6 | -178.4 | 58.4 | 0 | 0 | 0 | 112 | Q126 I128 A146 A147 N151 V152 V153 | Q126-L149 HydrophobicContact CB-CB 4.11Å; Q126-L149 HydrophobicContact CB-CD2 4.09Å; I128-L149 HydrophobicContact CG1-CD2 4Å; I128-L149 HydrophobicContact CG1-CG 4.19Å; I128-L149 HydrophobicContact CG2-CB 4.04Å; I128-L149 HydrophobicContact CG2-CD2 4Å; I128-L149 HydrophobicContact CG2-CG 3.85Å; A146-L149 PolarHBondContact O-N 2.94Å; A147-L149 PolarHBondContact O-N 3.48Å; L149-N151 VanDerWaalsContact C-N 3.31Å; L149-N151 PolarHBondContact O-N 3.45Å; L149-V152 PolarHBondContact O-N 3.33Å; L149-V153 HydrophobicContact CD1-CG2 4.41Å; L149-V153 WeakPolarHBondContact O-CG2 3.4Å; L149-V153 PolarHBondContact O-N 3.15Å |
| 150 | E | 95.6 | Very high | 94.1 | Very high | 36 Ų | 36 | 66 Ų | 66 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.5 | -46.4 | 174.1 | -176.6 | -179.7 | 149.7 | 0 | 0 | 111.4 | I128 V143 F144 G145 A146 A147 V152 V153 R154 | I128-E150 HydrophobicContact CG2-CB 4.29Å; V143-E150 HydrophobicContact CG1-CG 3.98Å; V143-E150 HydrophobicContact CG2-CG 4.19Å; F144-E150 WeakPolarHBondContact CA-OE2 3.45Å; G145-E150 PolarHBondContact N-OE2 3.43Å; A146-E150 WeakPolarHBondContact O-CB 3.42Å; A146-E150 PolarHBondContact O-N 3.3Å; A147-E150 PolarHBondContact O-N 3.27Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 2.89Å; E150-V153 PolarHBondContact O-N 3.42Å; E150-R154 HydrophobicContact CG-CG 4.49Å; E150-R154 WeakPolarHBondContact O-CG 3.5Å; E150-R154 PolarHBondContact O-N 3.03Å; E150-R154 IonicContact OE1-CZ 2.75Å; E150-R154 IonicContact OE1-NE 3.31Å; E150-R154 PolarHBondContact OE1-NE 3.26Å; E150-R154 IonicContact OE1-NH2 3.62Å; E150-R154 PolarHBondContact OE1-NH2 3.33Å |
| 151 | N | 96.4 | Very high | 94.3 | Very high | 105 Ų | 105 | 64.5 Ų | 64.5 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.4 | -40.4 | 179.3 | -71.1 | -21.7 | 0 | 0 | 0 | 112.3 | A147 P148 L149 R154 K155 | A147-N151 WeakPolarHBondContact O-CB 3.5Å; A147-N151 PolarHBondContact O-N 3.3Å; A147-N151 PolarHBondContact O-ND2 2.92Å; P148-N151 PolarHBondContact O-N 2.91Å; L149-N151 VanDerWaalsContact C-N 3.31Å; L149-N151 PolarHBondContact O-N 3.45Å; N151-R154 PolarHBondContact O-N 3.24Å; N151-K155 PolarHBondContact O-N 3.42Å; N151-K155 VanDerWaalsContact O-N 3.1Å |
| 152 | V | 96.4 | Very high | 94.2 | Very high | 74 Ų | 74 | 69.1 Ų | 69.1 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -47.2 | 175.4 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | P148 L149 E150 R154 K155 Y156 | P148-V152 WeakPolarHBondContact O-CG2 3.33Å; P148-V152 PolarHBondContact O-N 3.01Å; L149-V152 PolarHBondContact O-N 3.33Å; E150-V152 VanDerWaalsContact C-N 3.34Å; E150-V152 PolarHBondContact O-N 2.89Å; V152-R154 PolarHBondContact O-N 3Å; V152-K155 VanDerWaalsContact O-CB 3.29Å; V152-K155 WeakPolarHBondContact O-CB 3.24Å; V152-K155 PolarHBondContact O-N 3Å; V152-K155 VanDerWaalsContact O-N 3.15Å; V152-Y156 HydrophobicContact CG1-CD2 4.13Å; V152-Y156 HydrophobicContact CG1-CE2 3.89Å; V152-Y156 WeakPolarHBondContact O-CD2 3.28Å; V152-Y156 PolarHBondContact O-N 3.49Å |
| 153 | V | 96.3 | Very high | 94.1 | Very high | 19 Ų | 19 | 68.5 Ų | 68.5 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.9 | -36.1 | -179.2 | 172.4 | 0 | 0 | 0 | 0 | 111.9 | I128 L130 F141 V143 L149 E150 K155 Y156 K157 M160 | I128-V153 HydrophobicContact CD1-CB 4.1Å; I128-V153 HydrophobicContact CD1-CG1 4.06Å; I128-V153 HydrophobicContact CD1-CG2 3.65Å; L130-V153 HydrophobicContact CD1-CG1 4.4Å; L130-V153 HydrophobicContact CD2-CG1 4.46Å; F141-V153 HydrophobicContact CZ-CG1 4.1Å; V143-V153 HydrophobicContact CG2-CB 4.37Å; V143-V153 HydrophobicContact CG2-CG1 4.01Å; L149-V153 HydrophobicContact CD1-CG2 4.41Å; L149-V153 WeakPolarHBondContact O-CG2 3.4Å; L149-V153 PolarHBondContact O-N 3.15Å; E150-V153 PolarHBondContact O-N 3.42Å; V153-K155 VanDerWaalsContact C-N 3.27Å; V153-K155 PolarHBondContact O-N 3.41Å; V153-Y156 PolarHBondContact O-N 2.68Å; V153-K157 PolarHBondContact O-N 2.79Å; V153-M160 HydrophobicContact CG1-SD 3.97Å |
| 154 | R | 95.4 | Very high | 93.9 | Very high | 115 Ų | 115 | 71.1 Ų | 71.1 | 43% | 0.434 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.1 | -35.4 | 172.4 | -72.8 | -179.6 | -175.8 | -73.9 | -1.1 | 112.3 | V143 E150 N151 V152 Y156 K157 | V143-R154 HydrophobicContact CG1-CG 3.53Å; V143-R154 VanDerWaalsContact CG1-CZ 3.48Å; V143-R154 PolarHBondContact O-NH2 3.44Å; E150-R154 HydrophobicContact CG-CG 4.49Å; E150-R154 WeakPolarHBondContact O-CG 3.5Å; E150-R154 PolarHBondContact O-N 3.03Å; E150-R154 IonicContact OE1-CZ 2.75Å; E150-R154 IonicContact OE1-NE 3.31Å; E150-R154 PolarHBondContact OE1-NE 3.26Å; E150-R154 IonicContact OE1-NH2 3.62Å; E150-R154 PolarHBondContact OE1-NH2 3.33Å; N151-R154 PolarHBondContact O-N 3.24Å; V152-R154 PolarHBondContact O-N 3Å; R154-Y156 VanDerWaalsContact C-N 3.31Å; R154-Y156 PolarHBondContact O-N 2.88Å; R154-K157 VanDerWaalsContact O-CB 3.28Å; R154-K157 WeakPolarHBondContact O-CB 3.23Å; R154-K157 PolarHBondContact O-N 3.1Å |
| 155 | K | 95.9 | Very high | 93.6 | Very high | 166 Ų | 166 | 74.6 Ų | 74.6 | 72% | 0.722 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.6 | -36.5 | 175.4 | -174.1 | -174.7 | 175.9 | -174.7 | 0 | 112.4 | N151 V152 V153 | N151-K155 PolarHBondContact O-N 3.42Å; N151-K155 VanDerWaalsContact O-N 3.1Å; V152-K155 VanDerWaalsContact O-CB 3.29Å; V152-K155 WeakPolarHBondContact O-CB 3.24Å; V152-K155 PolarHBondContact O-N 3Å; V152-K155 VanDerWaalsContact O-N 3.15Å; V153-K155 VanDerWaalsContact C-N 3.27Å; V153-K155 PolarHBondContact O-N 3.41Å |
| 156 | Y | 95.4 | Very high | 93.4 | Very high | 108 Ų | 108 | 77.8 Ų | 77.8 | 42% | 0.424 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 9.6 | -179.8 | -66 | -73.6 | 0 | 0 | 0 | 114.2 | V152 V153 R154 S158 M159 M160 | V152-Y156 HydrophobicContact CG1-CD2 4.13Å; V152-Y156 HydrophobicContact CG1-CE2 3.89Å; V152-Y156 WeakPolarHBondContact O-CD2 3.28Å; V152-Y156 PolarHBondContact O-N 3.49Å; V153-Y156 PolarHBondContact O-N 2.68Å; R154-Y156 VanDerWaalsContact C-N 3.31Å; R154-Y156 PolarHBondContact O-N 2.88Å; Y156-S158 VanDerWaalsContact C-N 3.34Å; Y156-S158 PolarHBondContact O-N 3.03Å; Y156-M159 HydrophobicContact CD1-CE 4.05Å; Y156-M159 HydrophobicContact CD1-SD 4.24Å; Y156-M159 PolarHBondContact O-N 3.17Å; Y156-M160 WeakPolarHBondContact O-CG 3.25Å; Y156-M160 PolarHBondContact O-N 3.26Å |
| 157 | K | 92.1 | Very high | 93.1 | Very high | 90 Ų | 90 | 79.1 Ų | 79.1 | 39% | 0.391 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -47.8 | -49.7 | -176.4 | 171.8 | 177.9 | 174.9 | -173.4 | 0 | 113.8 | F141 V153 R154 M160 L161 | F141-K157 HydrophobicContact CB-CD 4.24Å; F141-K157 HydrophobicContact CB-CG 4.44Å; F141-K157 HydrophobicContact CD1-CB 4.41Å; F141-K157 HydrophobicContact CD1-CD 3.82Å; F141-K157 HydrophobicContact CD1-CG 3.91Å; F141-K157 HydrophobicContact CD2-CB 4.48Å; F141-K157 HydrophobicContact CD2-CD 4.43Å; F141-K157 HydrophobicContact CD2-CG 3.79Å; F141-K157 HydrophobicContact CE1-CB 4.02Å; F141-K157 HydrophobicContact CE1-CD 4.25Å; F141-K157 HydrophobicContact CE1-CG 4.03Å; F141-K157 HydrophobicContact CE2-CB 4.09Å; F141-K157 HydrophobicContact CE2-CG 3.9Å; F141-K157 HydrophobicContact CG-CD 3.91Å; F141-K157 HydrophobicContact CG-CG 3.79Å; F141-K157 HydrophobicContact CZ-CB 3.84Å; F141-K157 HydrophobicContact CZ-CG 4.01Å; V153-K157 PolarHBondContact O-N 2.79Å; R154-K157 VanDerWaalsContact O-CB 3.28Å; R154-K157 WeakPolarHBondContact O-CB 3.23Å; R154-K157 PolarHBondContact O-N 3.1Å; K157-M160 PolarHBondContact O-N 3.02Å; K157-L161 HydrophobicContact CG-CD1 3.87Å; K157-L161 WeakPolarHBondContact O-CB 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.4Å; K157-L161 PolarHBondContact O-N 2.99Å |
| 158 | S | 90.9 | Very high | 92.7 | Very high | 94 Ų | 94 | 80.6 Ų | 80.6 | 66% | 0.657 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.1 | -47.2 | -175.5 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | Y156 M160 L161 E162 | Y156-S158 VanDerWaalsContact C-N 3.34Å; Y156-S158 PolarHBondContact O-N 3.03Å; S158-M160 PolarHBondContact O-N 2.89Å; S158-L161 PolarHBondContact O-N 3.42Å; S158-E162 PolarHBondContact O-N 3.19Å |
| 159 | M | 93.3 | Very high | 92.2 | Very high | 99 Ų | 99 | 79.9 Ų | 79.9 | 49% | 0.488 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60 | -46.6 | 177.8 | -170.3 | -174.4 | 87.1 | 0 | 0 | 110.9 | Y156 L161 E162 D163 | Y156-M159 HydrophobicContact CD1-CE 4.05Å; Y156-M159 HydrophobicContact CD1-SD 4.24Å; Y156-M159 PolarHBondContact O-N 3.17Å; M159-L161 VanDerWaalsContact C-N 3.34Å; M159-L161 PolarHBondContact O-N 3.48Å; M159-E162 PolarHBondContact O-N 2.9Å; M159-D163 WeakPolarHBondContact O-CB 3.4Å; M159-D163 VanDerWaalsContact O-CG 3.25Å; M159-D163 PolarHBondContact O-N 2.79Å |
| 160 | M | 92.8 | Very high | 91.6 | Very high | 64 Ų | 64 | 84.7 Ų | 84.7 | 32% | 0.315 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.7 | -35.4 | 178.9 | -66.6 | -175.5 | 77.2 | 0 | 0 | 113.4 | L130 V153 Y156 K157 S158 L164 | L130-M160 HydrophobicContact CD2-CE 3.33Å; L130-M160 HydrophobicContact CD2-SD 4.31Å; V153-M160 HydrophobicContact CG1-SD 3.97Å; Y156-M160 WeakPolarHBondContact O-CG 3.25Å; Y156-M160 PolarHBondContact O-N 3.26Å; K157-M160 PolarHBondContact O-N 3.02Å; S158-M160 PolarHBondContact O-N 2.89Å; M160-L164 WeakPolarHBondContact O-CB 3.43Å; M160-L164 PolarHBondContact O-N 3.38Å |
| 161 | L | 91.1 | Very high | 90.5 | Very high | 25 Ų | 25 | 90.4 Ų | 90.4 | 13% | 0.131 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -68.7 | -41.7 | 177.1 | -82.6 | 168.1 | 0 | 0 | 0 | 111.6 | V132 P139 F141 K157 S158 M159 E165 | V132-L161 HydrophobicContact CG1-CD2 3.38Å; V132-L161 HydrophobicContact CG1-CG 4.42Å; P139-L161 HydrophobicContact CB-CD1 4.41Å; P139-L161 HydrophobicContact CB-CD2 4.19Å; F141-L161 HydrophobicContact CD2-CD1 4.35Å; F141-L161 HydrophobicContact CD2-CD2 4.4Å; F141-L161 HydrophobicContact CD2-CG 4.12Å; K157-L161 HydrophobicContact CG-CD1 3.87Å; K157-L161 WeakPolarHBondContact O-CB 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.4Å; K157-L161 PolarHBondContact O-N 2.99Å; S158-L161 PolarHBondContact O-N 3.42Å; M159-L161 VanDerWaalsContact C-N 3.34Å; M159-L161 PolarHBondContact O-N 3.48Å; L161-E165 WeakPolarHBondContact O-CB 3.41Å; L161-E165 PolarHBondContact O-N 3.25Å |
| 162 | E | 90 | Very high | 89.1 | Confident | 121 Ų | 121 | 87.9 Ų | 87.9 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.7 | -50.7 | 177.3 | -177.1 | 175.3 | -176.6 | 0 | 0 | 111.4 | S158 M159 L164 E165 N166 | S158-E162 PolarHBondContact O-N 3.19Å; M159-E162 PolarHBondContact O-N 2.9Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.28Å; E162-E165 PolarHBondContact O-N 2.8Å; E162-E165 VanDerWaalsContact O-N 3.12Å; E162-N166 PolarHBondContact O-N 2.96Å; E162-N166 PolarHBondContact O-ND2 3.1Å |
| 163 | D | 91.6 | Very high | 87.3 | Confident | 86 Ų | 86 | 90 Ų | 90 | 46% | 0.46 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 178.4 | -69.6 | -16.7 | 0 | 0 | 0 | 111.6 | M159 N166 A167 | M159-D163 WeakPolarHBondContact O-CB 3.4Å; M159-D163 VanDerWaalsContact O-CG 3.25Å; M159-D163 PolarHBondContact O-N 2.79Å; D163-N166 PolarHBondContact O-N 3.41Å; D163-A167 WeakPolarHBondContact O-CB 3.24Å; D163-A167 PolarHBondContact O-N 3.37Å |
| 164 | L | 90.4 | Very high | 85.1 | Confident | 60 Ų | 60 | 93.9 Ų | 93.9 | 31% | 0.314 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 175.9 | -178.4 | 64.3 | 0 | 0 | 0 | 111.8 | V132 P134 M160 E162 N166 A167 L168 | V132-L164 HydrophobicContact CB-CD2 3.73Å; V132-L164 HydrophobicContact CG1-CD2 3.51Å; P134-L164 HydrophobicContact CG-CD2 4.24Å; P134-L164 HydrophobicContact CG-CG 4.35Å; M160-L164 WeakPolarHBondContact O-CB 3.43Å; M160-L164 PolarHBondContact O-N 3.38Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.28Å; L164-N166 VanDerWaalsContact C-N 3.32Å; L164-A167 PolarHBondContact O-N 3.36Å; L164-L168 HydrophobicContact CD1-CD1 4.29Å; L164-L168 HydrophobicContact CD1-CG 4.25Å; L164-L168 HydrophobicContact CG-CD1 4.03Å; L164-L168 HydrophobicContact CG-CG 4.41Å; L164-L168 WeakPolarHBondContact O-CB 3.15Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.33Å |
| 165 | E | 88.4 | Confident | 82.7 | Confident | 76 Ų | 76 | 91.9 Ų | 91.9 | 36% | 0.355 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 175 | -175.6 | 170.9 | -160.3 | 0 | 0 | 110.8 | P134 K136 L161 E162 L168 A169 | P134-E165 HydrophobicContact CB-CB 4.49Å; K136-E165 VanDerWaalsContact CE-OE1 3.23Å; K136-E165 WeakPolarHBondContact CE-OE1 3.2Å; K136-E165 VanDerWaalsContact CE-OE2 3.28Å; K136-E165 WeakPolarHBondContact CE-OE2 3.38Å; K136-E165 IonicContact NZ-OE1 3.87Å; K136-E165 PolarHBondContact NZ-OE1 3.19Å; K136-E165 IonicContact NZ-OE2 3.54Å; K136-E165 PolarHBondContact NZ-OE2 3.48Å; L161-E165 WeakPolarHBondContact O-CB 3.41Å; L161-E165 PolarHBondContact O-N 3.25Å; E162-E165 PolarHBondContact O-N 2.8Å; E162-E165 VanDerWaalsContact O-N 3.12Å; E165-L168 PolarHBondContact O-N 3.29Å; E165-A169 WeakPolarHBondContact O-CB 3.46Å; E165-A169 PolarHBondContact O-N 3.35Å |
| 166 | N | 89.1 | Confident | 80 | Confident | 84 Ų | 84 | 87 Ų | 87 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -48 | 176.5 | -68.2 | -25.3 | 0 | 0 | 0 | 111.9 | E162 D163 L164 L168 A169 E170 | E162-N166 PolarHBondContact O-N 2.96Å; E162-N166 PolarHBondContact O-ND2 3.1Å; D163-N166 PolarHBondContact O-N 3.41Å; L164-N166 VanDerWaalsContact C-N 3.32Å; N166-L168 VanDerWaalsContact C-N 3.3Å; N166-L168 PolarHBondContact O-N 3.08Å; N166-A169 WeakPolarHBondContact O-CB 3.06Å; N166-A169 PolarHBondContact O-N 2.98Å; N166-A169 VanDerWaalsContact O-N 3.09Å; N166-E170 PolarHBondContact O-N 2.73Å |
| 167 | A | 89 | Confident | 77.3 | Confident | 39 Ų | 39 | 91.1 Ų | 91.1 | 32% | 0.322 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D163 L164 A169 E170 H171 | D163-A167 WeakPolarHBondContact O-CB 3.24Å; D163-A167 PolarHBondContact O-N 3.37Å; L164-A167 PolarHBondContact O-N 3.36Å; A167-A169 VanDerWaalsContact C-N 3.34Å; A167-E170 PolarHBondContact O-N 3.09Å; A167-H171 PolarHBondContact O-CD2 3.37Å; A167-H171 PolarHBondContact O-N 3.37Å; A167-H171 VanDerWaalsContact O-N 3.13Å |
| 168 | L | 86 | Confident | 74.9 | Confident | 91 Ų | 91 | 94.3 Ų | 94.3 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.5 | -33.6 | 174.4 | -72.9 | 171.5 | 0 | 0 | 0 | 112.2 | P134 L164 E165 N166 A172 | P134-L168 HydrophobicContact CG-CD1 3.28Å; L164-L168 HydrophobicContact CD1-CD1 4.29Å; L164-L168 HydrophobicContact CD1-CG 4.25Å; L164-L168 HydrophobicContact CG-CD1 4.03Å; L164-L168 HydrophobicContact CG-CG 4.41Å; L164-L168 WeakPolarHBondContact O-CB 3.15Å; L164-L168 WeakPolarHBondContact O-CG 3.46Å; L164-L168 PolarHBondContact O-N 3.33Å; E165-L168 PolarHBondContact O-N 3.29Å; N166-L168 VanDerWaalsContact C-N 3.3Å; N166-L168 PolarHBondContact O-N 3.08Å; L168-A172 PolarHBondContact O-N 3.24Å |
| 169 | A | 83.3 | Confident | 72.4 | Confident | 69 Ų | 69 | 93.9 Ų | 93.9 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.8 | -36.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E165 N166 A167 A172 | E165-A169 WeakPolarHBondContact O-CB 3.46Å; E165-A169 PolarHBondContact O-N 3.35Å; N166-A169 WeakPolarHBondContact O-CB 3.06Å; N166-A169 PolarHBondContact O-N 2.98Å; N166-A169 VanDerWaalsContact O-N 3.09Å; A167-A169 VanDerWaalsContact C-N 3.34Å; A169-A172 WeakPolarHBondContact O-CB 3.44Å; A169-A172 PolarHBondContact O-N 3.15Å |
| 170 | E | 84.4 | Confident | 70 | Confident | 158 Ų | 158 | 92.8 Ų | 92.8 | 74% | 0.738 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.2 | -36.2 | 174.5 | -71.7 | -178.9 | 176.4 | 0 | 0 | 112.8 | N166 A167 | N166-E170 PolarHBondContact O-N 2.73Å; A167-E170 PolarHBondContact O-N 3.09Å |
| 171 | H | 71.6 | Confident | 67.9 | Low | 156 Ų | 156 | 96.7 Ų | 96.7 | 72% | 0.722 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -88.9 | -3.7 | 177.7 | -73 | -60.2 | 0 | 0 | 0 | 113.9 | A167 | A167-H171 PolarHBondContact O-CD2 3.37Å; A167-H171 PolarHBondContact O-N 3.37Å; A167-H171 VanDerWaalsContact O-N 3.13Å |
| 172 | A | 67.6 | Low | 66.4 | Low | 51 Ų | 51 | 95.5 Ų | 95.5 | 42% | 0.421 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -64.1 | 129.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | L168 A169 A174 | L168-A172 PolarHBondContact O-N 3.24Å; A169-A172 WeakPolarHBondContact O-CB 3.44Å; A169-A172 PolarHBondContact O-N 3.15Å; A172-A174 PolarHBondContact O-N 3.27Å; A172-A174 VanDerWaalsContact O-N 3.11Å |
| 173 | P | 59.3 | Low | 65.1 | Low | 120 Ų | 120 | 90.4 Ų | 90.4 | 78% | 0.779 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -53 | 126.7 | 174 | 21.3 | -30.6 | 0 | 0 | 0 | 107.9 | G175 | P173-G175 PolarHBondContact O-N 3.03Š|
| 174 | A | 49.3 | Very low | 63.5 | Low | 99 Ų | 99 | 89.8 Ų | 89.8 | 82% | 0.818 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 116.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | A172 G176 | A172-A174 PolarHBondContact O-N 3.27Å; A172-A174 VanDerWaalsContact O-N 3.11Å; A174-G176 PolarHBondContact O-N 3.22Å |
| 175 | G | 45.5 | Very low | 62 | Low | 74 Ų | 74 | 87.3 Ų | 87.3 | 76% | 0.763 | 54% | 0.539 | S | S | * | . | trans | -54.4 | 103.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | P173 E177 | P173-G175 PolarHBondContact O-N 3.03Å; G175-E177 PolarHBondContact O-N 2.94Å; G175-E177 VanDerWaalsContact O-N 3.15Å | ||
| 176 | G | 38.1 | Very low | 60.5 | Low | 63 Ų | 63 | 86.7 Ų | 86.7 | 65% | 0.649 | 54% | 0.54 | S | S | * | . | trans | -57.4 | 120.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 105.6 | A174 L178 | A174-G176 PolarHBondContact O-N 3.22Å; G176-L178 PolarHBondContact O-N 2.93Å | ||
| 177 | E | 40 | Very low | 58.9 | Low | 194 Ų | 194 | 84.1 Ų | 84.1 | 91% | 0.907 | 53% | 0.526 | S | S | * | . | trans | -57.3 | 86.1 | 164.4 | -73.9 | -171 | 143.6 | 0 | 0 | 108.4 | G175 | G175-E177 PolarHBondContact O-N 2.94Å; G175-E177 VanDerWaalsContact O-N 3.15Å | ||
| 178 | L | 41.3 | Very low | 57 | Low | 158 Ų | 158 | 89.1 Ų | 89.1 | 83% | 0.827 | 55% | 0.548 | S | S | * | . | trans | -138.8 | 90.9 | 168.9 | -69.9 | 178.4 | 0 | 0 | 0 | 108 | G176 | G176-L178 PolarHBondContact O-N 2.93Š| ||
| 179 | A | 39.2 | Very low | 55.3 | Low | 84 Ų | 84 | 86.4 Ų | 86.4 | 69% | 0.694 | 54% | 0.541 | S | S | * | . | trans | 38.1 | 107.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | E181 | A179-E181 PolarHBondContact O-N 3.12Š| ||
| 180 | S | 41.7 | Very low | 53.5 | Low | 77 Ų | 77 | 86.3 Ų | 86.3 | 54% | 0.538 | 53% | 0.531 | S | S | . | . | trans | 42.7 | 74.4 | 149.6 | -51.1 | 0 | 0 | 0 | 0 | 114.8 | L182 | S180-L182 PolarHBondContact O-N 2.99Š| ||
| 181 | E | 49.3 | Very low | 52 | Low | 145 Ų | 145 | 80.8 Ų | 80.8 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | trans | -55.2 | 102.3 | 175.6 | -168.6 | 170.4 | -165 | 0 | 0 | 110 | A179 | A179-E181 PolarHBondContact O-N 3.12Š| ||
| 182 | L | 60.3 | Low | 51.5 | Low | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 143.2 | 173.9 | -73.6 | 177.7 | 0 | 0 | 0 | 109.1 | S180 M209 Y267 H270 | S180-L182 PolarHBondContact O-N 2.99Å; L182-M209 HydrophobicContact CD2-CG 4.43Å; L182-Y267 HydrophobicContact CB-CE1 4.42Å; L182-Y267 HydrophobicContact CD1-CD1 4.08Å; L182-Y267 HydrophobicContact CD1-CD2 3.91Å; L182-Y267 HydrophobicContact CD1-CE1 4.33Å; L182-Y267 HydrophobicContact CD1-CE2 4.16Å; L182-Y267 HydrophobicContact CD1-CG 3.87Å; L182-H270 HydrophobicContact CD1-CB 3.54Å; L182-H270 HydrophobicContact CG-CB 3.98Å |
| 183 | P | 61 | Low | 51.4 | Low | 13 Ų | 13 | 72.8 Ų | 72.8 | 8% | 0.084 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 130.9 | -175.5 | 22.8 | -30.4 | 0 | 0 | 0 | 108.4 | F205 M209 Y212 Y267 | P183-F205 HydrophobicContact CG-CE2 4.24Å; P183-F205 HydrophobicContact CG-CZ 4.27Å; P183-M209 HydrophobicContact CG-CB 4.38Å; P183-Y212 HydrophobicContact CB-CD2 3.83Å; P183-Y212 HydrophobicContact CB-CE2 3.85Å; P183-Y212 HydrophobicContact CB-CG 4.5Å; P183-Y212 HydrophobicContact CG-CD2 3.55Å; P183-Y212 HydrophobicContact CG-CE2 4.06Å; P183-Y212 HydrophobicContact CG-CG 4.17Å; P183-Y267 PolarHBondContact O-OH 3.28Å |
| 184 | P | 59 | Low | 52.1 | Low | 73 Ų | 73 | 67.1 Ų | 67.1 | 47% | 0.474 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 145.9 | -179.8 | 20.6 | -30.9 | 0 | 0 | 0 | 110.1 | T186 | P184-T186 HydrophobicContact CB-CG2 4.15Å; P184-T186 PolarHBondContact O-N 3.33Å; P184-T186 PolarHBondContact O-OG1 3.04Å |
| 185 | L | 58.6 | Low | 53.4 | Low | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -69.2 | 55.7 | 177.5 | -68.5 | 166.1 | 0 | 0 | 0 | 111.2 | P191 V192 V194 F205 V263 Y267 L275 L276 | L185-P191 CarbonylContact O-C 2.91Å; L185-P191 WeakPolarHBondContact O-CA 3.41Å; L185-V192 PolarHBondContact O-N 3.38Å; L185-V194 HydrophobicContact CD1-CG2 3.78Å; L185-V194 HydrophobicContact CD2-CG2 3.58Å; L185-V194 HydrophobicContact CG-CG2 4.34Å; L185-F205 HydrophobicContact CD2-CE1 3.83Å; L185-F205 HydrophobicContact CD2-CZ 3.72Å; L185-V263 HydrophobicContact CD2-CG1 4.26Å; L185-Y267 HydrophobicContact CD1-CE1 4.16Å; L185-Y267 HydrophobicContact CD2-CE1 4.44Å; L185-Y267 HydrophobicContact CD2-CE2 4.11Å; L185-Y267 WeakPolarHBondContact CD2-OH 3.33Å; L185-Y267 HydrophobicContact CG-CE1 4.04Å; L185-Y267 WeakPolarHBondContact CG-OH 3.46Å; L185-L275 HydrophobicContact CD1-CB 4.46Å; L185-L275 WeakPolarHBondContact CD1-O 3.31Å; L185-L276 HydrophobicContact CD1-CD2 4.11Å |
| 186 | T | 57.5 | Low | 54.8 | Low | 62 Ų | 62 | 67 Ų | 67 | 38% | 0.38 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122 | 180 | 53.8 | 0 | 0 | 0 | 0 | 108.9 | P184 I190 | P184-T186 HydrophobicContact CB-CG2 4.15Å; P184-T186 PolarHBondContact O-N 3.33Å; P184-T186 PolarHBondContact O-OG1 3.04Å; T186-I190 VanDerWaalsContact CA-O 3.29Å; T186-I190 WeakPolarHBondContact CA-O 3.29Å |
| 187 | I | 54.3 | Low | 56.7 | Low | 31 Ų | 31 | 64.2 Ų | 64.2 | 16% | 0.159 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.3 | 167.9 | -59.6 | 171.5 | 0 | 0 | 0 | 105.8 | G189 I190 V192 M197 Q201 | I187-G189 PolarHBondContact O-N 2.88Å; I187-I190 PolarHBondContact N-O 3.05Å; I187-I190 PolarHBondContact O-N 3.31Å; I187-V192 HydrophobicContact CB-CG2 4.3Å; I187-V192 HydrophobicContact CD1-CB 4.08Å; I187-V192 HydrophobicContact CD1-CG1 4.33Å; I187-V192 HydrophobicContact CD1-CG2 4.06Å; I187-V192 HydrophobicContact CG1-CG2 4.36Å; I187-M197 HydrophobicContact CD1-CE 3.93Å; I187-M197 HydrophobicContact CD1-CG 3.76Å; I187-M197 HydrophobicContact CD1-SD 4.24Å; I187-Q201 HydrophobicContact CD1-CB 3.7Å; I187-Q201 VanDerWaalsContact CD1-CD 3.46Å; I187-Q201 HydrophobicContact CD1-CG 3.75Å; I187-Q201 HydrophobicContact CG2-CG 4.45Å |
| 188 | D | 50.1 | Low | 58.8 | Low | 144 Ų | 144 | 58.4 Ų | 58.4 | 77% | 0.77 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 32.4 | -178.6 | -56.1 | -38.2 | 0 | 0 | 0 | 113.7 | P98 | P98-D188 WeakPolarHBondContact CD-O 3.2Å; P98-D188 WeakPolarHBondContact CG-O 3.37Å |
| 189 | G | 50.2 | Low | 60.9 | Low | 33 Ų | 33 | 54.1 Ų | 54.1 | 34% | 0.34 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | I187 | I187-G189 PolarHBondContact O-N 2.88Š|
| 190 | I | 45.8 | Very low | 63 | Low | 68 Ų | 68 | 53.4 Ų | 53.4 | 35% | 0.349 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.7 | 175.3 | -56.6 | 171.8 | 0 | 0 | 0 | 108.6 | N97 T186 I187 V192 | N97-I190 HydrophobicContact CB-CD1 4.42Å; N97-I190 HydrophobicContact CB-CG1 4.21Å; T186-I190 VanDerWaalsContact CA-O 3.29Å; T186-I190 WeakPolarHBondContact CA-O 3.29Å; I187-I190 PolarHBondContact N-O 3.05Å; I187-I190 PolarHBondContact O-N 3.31Å; I190-V192 HydrophobicContact CG2-CG2 4.47Å; I190-V192 PolarHBondContact O-N 3.23Å |
| 191 | P | 51.8 | Low | 64.9 | Low | 42 Ų | 42 | 52.7 Ų | 52.7 | 27% | 0.273 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 122 | 173.4 | 23.9 | -29.2 | 0 | 0 | 0 | 110.4 | L185 F279 | L185-P191 CarbonylContact O-C 2.91Å; L185-P191 WeakPolarHBondContact O-CA 3.41Å; P191-F279 HydrophobicContact CB-CD1 4.19Å; P191-F279 HydrophobicContact CB-CE1 3.39Å; P191-F279 HydrophobicContact CB-CE2 3.9Å; P191-F279 HydrophobicContact CB-CZ 3.22Å; P191-F279 HydrophobicContact CG-CE1 3.72Å; P191-F279 HydrophobicContact CG-CZ 4Å |
| 192 | V | 61 | Low | 66.7 | Low | 27 Ų | 27 | 45.8 Ų | 45.8 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | trans | -120.9 | 121.9 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | L185 I187 I190 V194 K196 M197 | L185-V192 PolarHBondContact O-N 3.38Å; I187-V192 HydrophobicContact CB-CG2 4.3Å; I187-V192 HydrophobicContact CD1-CB 4.08Å; I187-V192 HydrophobicContact CD1-CG1 4.33Å; I187-V192 HydrophobicContact CD1-CG2 4.06Å; I187-V192 HydrophobicContact CG1-CG2 4.36Å; I190-V192 HydrophobicContact CG2-CG2 4.47Å; I190-V192 PolarHBondContact O-N 3.23Å; V192-V194 PolarHBondContact O-N 3.49Å; V192-K196 HydrophobicContact CG1-CB 4.02Å; V192-M197 HydrophobicContact CB-CG 4.31Å; V192-M197 HydrophobicContact CG1-CG 3.67Å | ||
| 193 | S | 66.8 | Low | 68 | Low | 12 Ų | 12 | 48.7 Ų | 48.7 | 8% | 0.084 | 28% | 0.276 | C | S | . | . | trans | -58.1 | 139 | 170.7 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | D195 K196 M197 | S193-D195 PolarHBondContact O-N 3.29Å; S193-K196 PolarHBondContact O-N 3.31Å; S193-K196 WeakPolarHBondContact OG-CB 3.45Å; S193-K196 WeakPolarHBondContact OG-CD 3.27Å; S193-K196 VanDerWaalsContact OG-CG 3.26Å; S193-K196 WeakPolarHBondContact OG-CG 3.35Å; S193-M197 PolarHBondContact O-N 3.01Å | ||
| 194 | V | 73.1 | Confident | 69 | Low | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -29.2 | -178.6 | 176 | 0 | 0 | 0 | 0 | 111.9 | L185 V192 R260 V263 K264 L276 | L185-V194 HydrophobicContact CD1-CG2 3.78Å; L185-V194 HydrophobicContact CD2-CG2 3.58Å; L185-V194 HydrophobicContact CG-CG2 4.34Å; V192-V194 PolarHBondContact O-N 3.49Å; V194-R260 HydrophobicContact CG1-CB 4.05Å; V194-R260 HydrophobicContact CG1-CG 4.16Å; V194-R260 PolarHBondContact O-NH1 2.97Å; V194-V263 HydrophobicContact CB-CG1 4.49Å; V194-V263 HydrophobicContact CG1-CB 3.98Å; V194-V263 HydrophobicContact CG1-CG1 3.99Å; V194-V263 HydrophobicContact CG2-CB 4.47Å; V194-V263 HydrophobicContact CG2-CG1 3.59Å; V194-K264 HydrophobicContact CG1-CG 4.23Å; V194-L276 HydrophobicContact CB-CD2 4.31Å; V194-L276 HydrophobicContact CG2-CD2 3.45Å; V194-L276 VanDerWaalsContact CG2-CD2 3.45Å |
| 195 | D | 76.5 | Confident | 70.2 | Confident | 55 Ų | 55 | 49.1 Ų | 49.1 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -16.9 | 178.6 | -64.9 | -52.1 | 0 | 0 | 0 | 115.4 | S193 R260 K264 | S193-D195 PolarHBondContact O-N 3.29Å; D195-R260 VanDerWaalsContact C-CZ 3.48Å; D195-R260 PolarHBondContact O-NE 3.32Å; D195-R260 PolarHBondContact O-NH1 3.2Å; D195-R260 PolarHBondContact O-NH2 3.38Å; D195-K264 WeakPolarHBondContact OD1-CE 3.29Å; D195-K264 IonicContact OD1-NZ 2.83Å; D195-K264 PolarHBondContact OD1-NZ 3.03Å; D195-K264 WeakPolarHBondContact OD2-CE 3.38Å; D195-K264 IonicContact OD2-NZ 3.16Å; D195-K264 PolarHBondContact OD2-NZ 3.38Å |
| 196 | K | 76.1 | Confident | 71.6 | Confident | 116 Ų | 116 | 48.7 Ų | 48.7 | 50% | 0.504 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -9.2 | 177.6 | -68.1 | 178.2 | -172.5 | 164.9 | 0 | 113.3 | V192 S193 Q283 | V192-K196 HydrophobicContact CG1-CB 4.02Å; S193-K196 PolarHBondContact O-N 3.31Å; S193-K196 WeakPolarHBondContact OG-CB 3.45Å; S193-K196 WeakPolarHBondContact OG-CD 3.27Å; S193-K196 VanDerWaalsContact OG-CG 3.26Å; S193-K196 WeakPolarHBondContact OG-CG 3.35Å; K196-Q283 VanDerWaalsContact NZ-CD 3.29Å; K196-Q283 VanDerWaalsContact NZ-NE2 3.18Å |
| 197 | M | 77.8 | Confident | 72.8 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | trans | -64.5 | 141.7 | 177.6 | -70.8 | 179.4 | 63.3 | 0 | 0 | 111.8 | I187 V192 S193 Q201 L202 F205 R260 | I187-M197 HydrophobicContact CD1-CE 3.93Å; I187-M197 HydrophobicContact CD1-CG 3.76Å; I187-M197 HydrophobicContact CD1-SD 4.24Å; V192-M197 HydrophobicContact CB-CG 4.31Å; V192-M197 HydrophobicContact CG1-CG 3.67Å; S193-M197 PolarHBondContact O-N 3.01Å; M197-Q201 HydrophobicContact CB-CB 4.3Å; M197-Q201 VanDerWaalsContact CE-C 3.48Å; M197-Q201 HydrophobicContact CE-CB 3.92Å; M197-Q201 WeakPolarHBondContact CE-O 3.48Å; M197-L202 HydrophobicContact CB-CD1 4.44Å; M197-L202 HydrophobicContact CB-CD2 3.94Å; M197-L202 HydrophobicContact CB-CG 3.82Å; M197-L202 HydrophobicContact CE-CB 4.47Å; M197-L202 HydrophobicContact CE-CD2 3.75Å; M197-L202 HydrophobicContact CE-CG 4.06Å; M197-L202 HydrophobicContact CG-CD2 4.5Å; M197-L202 HydrophobicContact SD-CD2 3.83Å; M197-F205 HydrophobicContact CE-CB 3.59Å; M197-F205 HydrophobicContact CE-CD1 4.24Å; M197-F205 HydrophobicContact CE-CG 3.95Å; M197-R260 PolarHBondContact O-NH1 3.44Å; M197-R260 PolarHBondContact O-NH2 2.97Å | ||
| 198 | T | 84.6 | Confident | 74 | Confident | 73 Ų | 73 | 49.9 Ų | 49.9 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | trans | -77.9 | 163.2 | 170.6 | 70.8 | 0 | 0 | 0 | 0 | 111 | A200 Q201 L202 | T198-A200 PolarHBondContact O-N 3.46Å; T198-Q201 WeakPolarHBondContact O-CB 3.28Å; T198-Q201 PolarHBondContact O-N 3.18Å; T198-Q201 VanDerWaalsContact O-N 3.12Å; T198-Q201 VanDerWaalsContact OG1-CG 3.29Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.34Å; T198-Q201 PolarHBondContact OG1-N 3.46Å; T198-Q201 PolarHBondContact OG1-OE1 2.91Å; T198-L202 WeakPolarHBondContact O-CG 3.29Å; T198-L202 PolarHBondContact O-N 3.38Å | ||
| 199 | Q | 83.7 | Confident | 75.5 | Confident | 68 Ų | 68 | 43 Ų | 43 | 32% | 0.318 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.2 | -36.9 | 177.8 | -167.5 | 177.6 | -23.4 | 0 | 0 | 112.6 | R203 W255 T256 L259 | Q199-R203 WeakPolarHBondContact O-CB 3.34Å; Q199-R203 VanDerWaalsContact O-CG 3.25Å; Q199-R203 WeakPolarHBondContact O-CG 3.46Å; Q199-R203 PolarHBondContact O-N 2.89Å; Q199-R203 VanDerWaalsContact O-N 3.11Å; Q199-W255 VanDerWaalsContact NE2-CD1 3.26Å; Q199-T256 PolarHBondContact OE1-OG1 3.26Å; Q199-L259 HydrophobicContact CG-CD1 4.25Å |
| 200 | A | 83.4 | Confident | 77 | Confident | 68 Ų | 68 | 41.5 Ų | 41.5 | 56% | 0.562 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -66.5 | -42.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T198 R203 A204 | T198-A200 PolarHBondContact O-N 3.46Å; A200-R203 PolarHBondContact O-N 2.82Å; A200-A204 PolarHBondContact O-N 3.15Å |
| 201 | Q | 83.1 | Confident | 78.5 | Confident | 62 Ų | 62 | 42.8 Ų | 42.8 | 29% | 0.29 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 177.1 | -70.8 | 169.4 | -17.7 | 0 | 0 | 111.6 | I187 M197 T198 R203 A204 F205 | I187-Q201 HydrophobicContact CD1-CB 3.7Å; I187-Q201 VanDerWaalsContact CD1-CD 3.46Å; I187-Q201 HydrophobicContact CD1-CG 3.75Å; I187-Q201 HydrophobicContact CG2-CG 4.45Å; M197-Q201 HydrophobicContact CB-CB 4.3Å; M197-Q201 VanDerWaalsContact CE-C 3.48Å; M197-Q201 HydrophobicContact CE-CB 3.92Å; M197-Q201 WeakPolarHBondContact CE-O 3.48Å; T198-Q201 WeakPolarHBondContact O-CB 3.28Å; T198-Q201 PolarHBondContact O-N 3.18Å; T198-Q201 VanDerWaalsContact O-N 3.12Å; T198-Q201 VanDerWaalsContact OG1-CG 3.29Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.34Å; T198-Q201 PolarHBondContact OG1-N 3.46Å; T198-Q201 PolarHBondContact OG1-OE1 2.91Å; Q201-R203 VanDerWaalsContact C-N 3.32Å; Q201-R203 PolarHBondContact O-N 2.75Å; Q201-A204 PolarHBondContact O-N 2.89Å; Q201-F205 VanDerWaalsContact O-CB 3.28Å; Q201-F205 WeakPolarHBondContact O-CB 3.26Å; Q201-F205 PolarHBondContact O-N 3.44Å |
| 202 | L | 87.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 176.4 | -70.8 | 164.6 | 0 | 0 | 0 | 111.8 | M197 T198 A204 F205 I206 T256 L259 R260 V263 | M197-L202 HydrophobicContact CB-CD1 4.44Å; M197-L202 HydrophobicContact CB-CD2 3.94Å; M197-L202 HydrophobicContact CB-CG 3.82Å; M197-L202 HydrophobicContact CE-CB 4.47Å; M197-L202 HydrophobicContact CE-CD2 3.75Å; M197-L202 HydrophobicContact CE-CG 4.06Å; M197-L202 HydrophobicContact CG-CD2 4.5Å; M197-L202 HydrophobicContact SD-CD2 3.83Å; T198-L202 WeakPolarHBondContact O-CG 3.29Å; T198-L202 PolarHBondContact O-N 3.38Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 3.1Å; L202-F205 PolarHBondContact O-N 3.43Å; L202-I206 WeakPolarHBondContact O-CB 3.35Å; L202-I206 WeakPolarHBondContact O-CD1 3.34Å; L202-I206 VanDerWaalsContact O-CG1 3.25Å; L202-I206 WeakPolarHBondContact O-CG1 3.49Å; L202-I206 PolarHBondContact O-N 2.89Å; L202-T256 HydrophobicContact CD1-CG2 3.96Å; L202-L259 HydrophobicContact CB-CB 3.94Å; L202-L259 HydrophobicContact CB-CD1 3.75Å; L202-L259 HydrophobicContact CD1-CB 3.84Å; L202-L259 HydrophobicContact CD1-CD1 4.49Å; L202-L259 HydrophobicContact CG-CB 4.37Å; L202-R260 HydrophobicContact CD1-CG 3.8Å; L202-R260 HydrophobicContact CD2-CG 4.44Å; L202-V263 HydrophobicContact CD2-CG2 4.02Å |
| 203 | R | 86.1 | Confident | 80.1 | Confident | 62 Ų | 62 | 45.8 Ų | 45.8 | 23% | 0.234 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.1 | -31.9 | 176.2 | -75.4 | 174.2 | 170.7 | 144.3 | -4.7 | 113.8 | Q199 A200 Q201 P207 V240 R241 L259 | Q199-R203 WeakPolarHBondContact O-CB 3.34Å; Q199-R203 VanDerWaalsContact O-CG 3.25Å; Q199-R203 WeakPolarHBondContact O-CG 3.46Å; Q199-R203 PolarHBondContact O-N 2.89Å; Q199-R203 VanDerWaalsContact O-N 3.11Å; A200-R203 PolarHBondContact O-N 2.82Å; Q201-R203 VanDerWaalsContact C-N 3.32Å; Q201-R203 PolarHBondContact O-N 2.75Å; R203-P207 WeakPolarHBondContact O-CD 3.18Å; R203-V240 WeakPolarHBondContact CG-O 3.43Å; R203-V240 PolarHBondContact NE-O 2.82Å; R203-R241 PolarHBondContact NE-O 2.94Å; R203-R241 PolarHBondContact NH2-O 3.5Å; R203-L259 HydrophobicContact CG-CD1 3.8Å |
| 204 | A | 82.8 | Confident | 80.3 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 60% | 0.603 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -76.6 | -37 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A200 Q201 L202 | A200-A204 PolarHBondContact O-N 3.15Å; Q201-A204 PolarHBondContact O-N 2.89Å; L202-A204 VanDerWaalsContact C-N 3.33Å; L202-A204 PolarHBondContact O-N 3.1Å |
| 205 | F | 84.6 | Confident | 80 | Confident | 23 Ų | 23 | 50.5 Ų | 50.5 | 10% | 0.101 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -76.6 | -42.8 | -174.9 | -176.7 | -106.6 | 0 | 0 | 0 | 113.9 | P183 L185 M197 Q201 L202 E208 M209 V263 Y267 | P183-F205 HydrophobicContact CG-CE2 4.24Å; P183-F205 HydrophobicContact CG-CZ 4.27Å; L185-F205 HydrophobicContact CD2-CE1 3.83Å; L185-F205 HydrophobicContact CD2-CZ 3.72Å; M197-F205 HydrophobicContact CE-CB 3.59Å; M197-F205 HydrophobicContact CE-CD1 4.24Å; M197-F205 HydrophobicContact CE-CG 3.95Å; Q201-F205 VanDerWaalsContact O-CB 3.28Å; Q201-F205 WeakPolarHBondContact O-CB 3.26Å; Q201-F205 PolarHBondContact O-N 3.44Å; L202-F205 PolarHBondContact O-N 3.43Å; F205-E208 PolarHBondContact O-N 2.84Å; F205-M209 HydrophobicContact CD1-CB 4.29Å; F205-M209 HydrophobicContact CE1-CB 3.94Å; F205-M209 HydrophobicContact CE1-CG 4.19Å; F205-M209 HydrophobicContact CE1-SD 3.98Å; F205-M209 HydrophobicContact CZ-CB 4.26Å; F205-M209 PolarHBondContact O-N 2.89Å; F205-V263 HydrophobicContact CD1-CG1 4.34Å; F205-V263 HydrophobicContact CD1-CG2 4.07Å; F205-V263 HydrophobicContact CE1-CG1 3.87Å; F205-V263 HydrophobicContact CE1-CG2 4.36Å; F205-Y267 HydrophobicContact CE1-CE2 4.11Å; F205-Y267 HydrophobicContact CZ-CE2 4.18Å; F205-Y267 WeakPolarHBondContact CZ-OH 3.32Å |
| 206 | I | 86.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.6 | -43.6 | -174.9 | -73.1 | 163.7 | 0 | 0 | 0 | 113.3 | L202 E208 M209 L210 W231 V240 L259 I262 V263 | L202-I206 WeakPolarHBondContact O-CB 3.35Å; L202-I206 WeakPolarHBondContact O-CD1 3.34Å; L202-I206 VanDerWaalsContact O-CG1 3.25Å; L202-I206 WeakPolarHBondContact O-CG1 3.49Å; L202-I206 PolarHBondContact O-N 2.89Å; I206-E208 VanDerWaalsContact C-N 3.33Å; I206-E208 PolarHBondContact O-N 3.29Å; I206-M209 PolarHBondContact O-N 3.03Å; I206-L210 HydrophobicContact CG2-CD1 3.82Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CB 3.19Å; I206-L210 WeakPolarHBondContact O-CG 3.37Å; I206-L210 PolarHBondContact O-N 2.96Å; I206-W231 HydrophobicContact CG2-CH2 4.47Å; I206-W231 HydrophobicContact CG2-CZ3 4.38Å; I206-V240 HydrophobicContact CB-CG2 4.38Å; I206-V240 HydrophobicContact CD1-CG1 4.28Å; I206-V240 HydrophobicContact CG2-CG1 4.24Å; I206-V240 HydrophobicContact CG2-CG2 4.16Å; I206-L259 HydrophobicContact CD1-CB 4.06Å; I206-L259 HydrophobicContact CD1-CD2 3.65Å; I206-L259 HydrophobicContact CD1-CG 4.32Å; I206-I262 HydrophobicContact CD1-CB 4.41Å; I206-I262 HydrophobicContact CD1-CG2 4.23Å; I206-I262 HydrophobicContact CG1-CG2 4.36Å; I206-I262 HydrophobicContact CG2-CG2 4.3Å; I206-V263 HydrophobicContact CD1-CG2 4.24Å; I206-V263 HydrophobicContact CG1-CG2 3.74Å |
| 207 | P | 83.8 | Confident | 78.6 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61 | -38.5 | 174.7 | -25.4 | 35.4 | 0 | 0 | 0 | 113.8 | R203 K211 V240 | R203-P207 WeakPolarHBondContact O-CD 3.18Å; P207-K211 PolarHBondContact O-N 3.34Å; P207-K211 VanDerWaalsContact O-N 3.12Å; P207-V240 HydrophobicContact CG-CG2 4.48Å |
| 208 | E | 79.1 | Confident | 78.3 | Confident | 72 Ų | 72 | 61 Ų | 61 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69.8 | -47.3 | 177.2 | -165.2 | 63 | -154.5 | 0 | 0 | 109.9 | F205 I206 L210 K211 Y212 | F205-E208 PolarHBondContact O-N 2.84Å; I206-E208 VanDerWaalsContact C-N 3.33Å; I206-E208 PolarHBondContact O-N 3.29Å; E208-L210 VanDerWaalsContact C-N 3.3Å; E208-L210 PolarHBondContact O-N 2.97Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 3.5Å; E208-K211 IonicContact OE1-NZ 2.75Å; E208-K211 PolarHBondContact OE1-NZ 2.9Å; E208-K211 IonicContact OE2-NZ 2.82Å; E208-Y212 HydrophobicContact CG-CD2 4.3Å; E208-Y212 HydrophobicContact CG-CE2 3.86Å; E208-Y212 VanDerWaalsContact O-CD2 3.22Å; E208-Y212 WeakPolarHBondContact O-CD2 3.47Å; E208-Y212 PolarHBondContact O-N 3.35Å; E208-Y212 VanDerWaalsContact OE1-CE2 3.26Å; E208-Y212 WeakPolarHBondContact OE1-CE2 3.23Å |
| 209 | M | 82.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54.6 | -43.8 | 173.6 | -176 | -167 | 73.1 | 0 | 0 | 112.4 | L182 P183 F205 I206 K211 Y212 S213 W230 I262 V263 C266 Y267 | L182-M209 HydrophobicContact CD2-CG 4.43Å; P183-M209 HydrophobicContact CG-CB 4.38Å; F205-M209 HydrophobicContact CD1-CB 4.29Å; F205-M209 HydrophobicContact CE1-CB 3.94Å; F205-M209 HydrophobicContact CE1-CG 4.19Å; F205-M209 HydrophobicContact CE1-SD 3.98Å; F205-M209 HydrophobicContact CZ-CB 4.26Å; F205-M209 PolarHBondContact O-N 2.89Å; I206-M209 PolarHBondContact O-N 3.03Å; M209-K211 VanDerWaalsContact C-N 3.33Å; M209-K211 PolarHBondContact O-N 2.67Å; M209-Y212 PolarHBondContact O-N 2.85Å; M209-S213 WeakPolarHBondContact O-CB 3.28Å; M209-S213 PolarHBondContact O-N 2.92Å; M209-W230 HydrophobicContact CE-CH2 3.71Å; M209-W230 HydrophobicContact CE-CZ3 4.1Å; M209-I262 HydrophobicContact CE-CG2 4.25Å; M209-V263 HydrophobicContact SD-CB 4.29Å; M209-V263 HydrophobicContact SD-CG1 4.04Å; M209-V263 HydrophobicContact SD-CG2 4.22Å; M209-C266 HydrophobicContact CE-CB 3.48Å; M209-C266 VanDerWaalsContact CE-CB 3.48Å; M209-C266 HydrophobicContact CG-CB 4.43Å; M209-C266 HydrophobicContact SD-CB 3.51Å; M209-C266 VanDerWaalsContact SD-CB 3.51Å; M209-C266 VanDerWaalsContact SD-SG 3.62Å; M209-Y267 HydrophobicContact CG-CE2 4.26Å; M209-Y267 HydrophobicContact SD-CD2 4.09Å; M209-Y267 HydrophobicContact SD-CE2 3.9Å |
| 210 | L | 80.4 | Confident | 77.1 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -37 | 176.9 | -82.6 | 168 | 0 | 0 | 0 | 112.5 | I206 E208 Y212 S213 T214 P219 W221 P228 W230 W231 W237 | I206-L210 HydrophobicContact CG2-CD1 3.82Å; I206-L210 HydrophobicContact CG2-CG 4.34Å; I206-L210 WeakPolarHBondContact O-CB 3.19Å; I206-L210 WeakPolarHBondContact O-CG 3.37Å; I206-L210 PolarHBondContact O-N 2.96Å; E208-L210 VanDerWaalsContact C-N 3.3Å; E208-L210 PolarHBondContact O-N 2.97Å; L210-Y212 VanDerWaalsContact C-N 3.33Å; L210-Y212 PolarHBondContact O-N 3.29Å; L210-S213 PolarHBondContact O-N 3.3Å; L210-T214 HydrophobicContact CD2-CG2 4.28Å; L210-T214 WeakPolarHBondContact O-CB 3.33Å; L210-T214 PolarHBondContact O-N 3.41Å; L210-T214 PolarHBondContact O-OG1 3.47Å; L210-P219 HydrophobicContact CD1-CB 4.26Å; L210-P219 HydrophobicContact CD1-CG 4.31Å; L210-W221 HydrophobicContact CD1-CH2 3.63Å; L210-W221 HydrophobicContact CD1-CZ2 4.15Å; L210-W221 HydrophobicContact CD1-CZ3 4.38Å; L210-P228 HydrophobicContact CD2-CG 4Å; L210-W230 HydrophobicContact CD2-CH2 3.47Å; L210-W230 VanDerWaalsContact CD2-CH2 3.47Å; L210-W230 HydrophobicContact CD2-CZ2 3.65Å; L210-W230 HydrophobicContact CG-CH2 4.28Å; L210-W231 HydrophobicContact CD1-CZ3 4.18Å; L210-W231 HydrophobicContact CD2-CZ3 4.48Å; L210-W237 HydrophobicContact CD1-CH2 4.06Å; L210-W237 HydrophobicContact CD1-CZ3 4.33Å; L210-W237 HydrophobicContact CD2-CH2 4.11Å; L210-W237 HydrophobicContact CD2-CZ3 4.39Å |
| 211 | K | 78.9 | Confident | 77.1 | Confident | 94 Ų | 94 | 56.7 Ų | 56.7 | 41% | 0.409 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 176.9 | 173.9 | -174.4 | 160.6 | -153.3 | 0 | 111.5 | P207 E208 M209 G215 | P207-K211 PolarHBondContact O-N 3.34Å; P207-K211 VanDerWaalsContact O-N 3.12Å; E208-K211 WeakPolarHBondContact O-CB 3.48Å; E208-K211 PolarHBondContact O-N 3.5Å; E208-K211 IonicContact OE1-NZ 2.75Å; E208-K211 PolarHBondContact OE1-NZ 2.9Å; E208-K211 IonicContact OE2-NZ 2.82Å; M209-K211 VanDerWaalsContact C-N 3.33Å; M209-K211 PolarHBondContact O-N 2.67Å; K211-G215 WeakPolarHBondContact O-CA 3.39Å; K211-G215 PolarHBondContact O-N 2.97Å |
| 212 | Y | 72.8 | Confident | 76.7 | Confident | 111 Ų | 111 | 56.9 Ų | 56.9 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -74.2 | -42.7 | 175.2 | -73.7 | -86.1 | 0 | 0 | 0 | 112.7 | P183 E208 M209 L210 | P183-Y212 HydrophobicContact CB-CD2 3.83Å; P183-Y212 HydrophobicContact CB-CE2 3.85Å; P183-Y212 HydrophobicContact CB-CG 4.5Å; P183-Y212 HydrophobicContact CG-CD2 3.55Å; P183-Y212 HydrophobicContact CG-CE2 4.06Å; P183-Y212 HydrophobicContact CG-CG 4.17Å; E208-Y212 HydrophobicContact CG-CD2 4.3Å; E208-Y212 HydrophobicContact CG-CE2 3.86Å; E208-Y212 VanDerWaalsContact O-CD2 3.22Å; E208-Y212 WeakPolarHBondContact O-CD2 3.47Å; E208-Y212 PolarHBondContact O-N 3.35Å; E208-Y212 VanDerWaalsContact OE1-CE2 3.26Å; E208-Y212 WeakPolarHBondContact OE1-CE2 3.23Å; M209-Y212 PolarHBondContact O-N 2.85Å; L210-Y212 VanDerWaalsContact C-N 3.33Å; L210-Y212 PolarHBondContact O-N 3.29Å |
| 213 | S | 72.4 | Confident | 76.3 | Confident | 22 Ų | 22 | 63.2 Ų | 63.2 | 15% | 0.154 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.3 | -41.3 | -179.3 | 171.2 | 0 | 0 | 0 | 0 | 113.3 | M209 L210 W230 H270 | M209-S213 WeakPolarHBondContact O-CB 3.28Å; M209-S213 PolarHBondContact O-N 2.92Å; L210-S213 PolarHBondContact O-N 3.3Å; S213-W230 PolarHBondContact OG-NE1 2.85Å; S213-H270 WeakPolarHBondContact CB-NE2 3.42Å; S213-H270 PolarHBondContact OG-CE1 2.98Å; S213-H270 PolarHBondContact OG-NE2 3.18Å |
| 214 | T | 71.4 | Confident | 75.9 | Confident | 45 Ų | 45 | 66.2 Ų | 66.2 | 28% | 0.276 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -103.9 | -10.6 | -173.1 | 68.7 | 0 | 0 | 0 | 0 | 113.5 | L210 R216 P228 | L210-T214 HydrophobicContact CD2-CG2 4.28Å; L210-T214 WeakPolarHBondContact O-CB 3.33Å; L210-T214 PolarHBondContact O-N 3.41Å; L210-T214 PolarHBondContact O-OG1 3.47Å; T214-R216 PolarHBondContact O-N 2.66Å; T214-R216 PolarHBondContact OG1-N 3.1Å; T214-P228 HydrophobicContact CG2-CB 4.34Å |
| 215 | G | 66.4 | Low | 75.5 | Confident | 66 Ų | 66 | 67.9 Ų | 67.9 | 68% | 0.68 | 38% | 0.383 | S | S | * | . | trans | 66.8 | 7.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | K211 | K211-G215 WeakPolarHBondContact O-CA 3.39Å; K211-G215 PolarHBondContact O-N 2.97Å | ||
| 216 | R | 64.1 | Low | 75 | Confident | 144 Ų | 144 | 68.3 Ų | 68.3 | 54% | 0.543 | 39% | 0.388 | S | S | . | . | trans | -100.5 | 126.7 | -176.1 | -61.2 | -175.8 | -167.2 | -99.6 | 3.4 | 110.7 | T214 K218 | T214-R216 PolarHBondContact O-N 2.66Å; T214-R216 PolarHBondContact OG1-N 3.1Å; R216-K218 PolarHBondContact O-N 3.04Å | ||
| 217 | G | 59.2 | Low | 74.8 | Confident | 71 Ų | 71 | 70.4 Ų | 70.4 | 73% | 0.732 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -67.1 | -17.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 218 | K | 71.4 | Confident | 74.6 | Confident | 179 Ų | 179 | 68.9 Ų | 68.9 | 78% | 0.778 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -128.3 | 128.8 | 172 | -67.5 | -176.4 | -179.3 | 179.7 | 0 | 108.9 | R216 G220 | R216-K218 PolarHBondContact O-N 3.04Å; K218-G220 PolarHBondContact O-N 3.46Å |
| 219 | P | 70.5 | Confident | 74.6 | Confident | 25 Ų | 25 | 72.4 Ų | 72.4 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | trans | -56.6 | -35.8 | 179.2 | -28.2 | 35.4 | 0 | 0 | 0 | 113.2 | L210 W221 W237 | L210-P219 HydrophobicContact CD1-CB 4.26Å; L210-P219 HydrophobicContact CD1-CG 4.31Å; P219-W221 HydrophobicContact CB-CD2 3.97Å; P219-W221 HydrophobicContact CB-CE3 4.41Å; P219-W221 HydrophobicContact CB-CG 4.46Å; P219-W221 HydrophobicContact CB-CH2 4.29Å; P219-W221 HydrophobicContact CB-CZ2 3.8Å; P219-W221 HydrophobicContact CG-CZ2 3.86Å; P219-W237 HydrophobicContact CB-CH2 4.23Å; P219-W237 HydrophobicContact CB-CZ2 4.16Å; P219-W237 VanDerWaalsContact O-CZ2 3.31Å; P219-W237 WeakPolarHBondContact O-CZ2 3.44Å | ||
| 220 | G | 72.9 | Confident | 74.6 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | trans | 73.8 | 45.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | K218 K223 W237 | K218-G220 PolarHBondContact O-N 3.46Å; G220-K223 PolarHBondContact O-N 3.11Å; G220-W237 PolarHBondContact O-NE1 3.4Å | ||
| 221 | W | 83.3 | Confident | 74.8 | Confident | 68 Ų | 68 | 73.6 Ų | 73.6 | 26% | 0.258 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | 141.5 | 175.7 | -56.8 | 120.7 | 0 | 0 | 0 | 112.3 | L210 P219 K223 W231 W237 A238 N239 V240 | L210-W221 HydrophobicContact CD1-CH2 3.63Å; L210-W221 HydrophobicContact CD1-CZ2 4.15Å; L210-W221 HydrophobicContact CD1-CZ3 4.38Å; P219-W221 HydrophobicContact CB-CD2 3.97Å; P219-W221 HydrophobicContact CB-CE3 4.41Å; P219-W221 HydrophobicContact CB-CG 4.46Å; P219-W221 HydrophobicContact CB-CH2 4.29Å; P219-W221 HydrophobicContact CB-CZ2 3.8Å; P219-W221 HydrophobicContact CG-CZ2 3.86Å; W221-K223 PolarHBondContact O-N 3.41Å; W221-W231 AromaticContact CH2-CH2 3.86Å; W221-W231 HydrophobicContact CH2-CH2 3.86Å; W221-W231 HydrophobicContact CH2-CZ3 4.4Å; W221-W231 AromaticContact CZ3-CH2 3.67Å; W221-W231 HydrophobicContact CZ3-CH2 3.67Å; W221-W231 HydrophobicContact CZ3-CZ2 4.1Å; W221-W231 HydrophobicContact CZ3-CZ3 4.31Å; W221-W237 AromaticContact CE3-CD2 3.82Å; W221-W237 HydrophobicContact CE3-CD2 3.82Å; W221-W237 AromaticContact CE3-CE2 3.84Å; W221-W237 AromaticContact CE3-CE3 3.88Å; W221-W237 HydrophobicContact CE3-CE3 3.88Å; W221-W237 HydrophobicContact CE3-CH2 4.01Å; W221-W237 AromaticContact CE3-CZ2 3.95Å; W221-W237 HydrophobicContact CE3-CZ2 3.95Å; W221-W237 AromaticContact CE3-CZ3 3.97Å; W221-W237 HydrophobicContact CE3-CZ3 3.97Å; W221-W237 HydrophobicContact CH2-CH2 4.31Å; W221-W237 HydrophobicContact CH2-CZ3 4.18Å; W221-W237 HydrophobicContact CZ3-CD2 4.02Å; W221-W237 AromaticContact CZ3-CE3 3.57Å; W221-W237 HydrophobicContact CZ3-CE3 3.57Å; W221-W237 AromaticContact CZ3-CH2 3.67Å; W221-W237 HydrophobicContact CZ3-CH2 3.67Å; W221-W237 HydrophobicContact CZ3-CZ2 4.11Å; W221-W237 AromaticContact CZ3-CZ3 3.37Å; W221-W237 HydrophobicContact CZ3-CZ3 3.37Å; W221-A238 WeakPolarHBondContact CZ3-O 3.28Å; W221-N239 HydrophobicContact CG-CB 4.33Å; W221-V240 HydrophobicContact CH2-CG1 4.22Å; W221-V240 HydrophobicContact CH2-CG2 4.14Å; W221-V240 HydrophobicContact CZ2-CG2 4.01Å |
| 222 | G | 75.4 | Confident | 75.1 | Confident | 65 Ų | 65 | 69.5 Ų | 69.5 | 67% | 0.67 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -8.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | W237 | G222-W237 WeakPolarHBondContact CA-O 3.45Å; G222-W237 VanDerWaalsContact N-CD1 3.29Å; G222-W237 PolarHBondContact N-O 2.89Å |
| 223 | K | 78.9 | Confident | 75.4 | Confident | 133 Ų | 133 | 71 Ų | 71 | 58% | 0.578 | 42% | 0.417 | S | S | * | . | trans | -97.2 | 110.2 | 171.5 | -64.2 | -175.2 | -179.7 | -175.9 | 0 | 109.9 | G220 W221 S225 C226 K227 W237 | G220-K223 PolarHBondContact O-N 3.11Å; W221-K223 PolarHBondContact O-N 3.41Å; K223-S225 PolarHBondContact O-N 3.18Å; K223-C226 HydrophobicContact CB-CB 4.25Å; K223-C226 WeakPolarHBondContact O-CB 3.5Å; K223-C226 PolarHBondContact O-N 2.88Å; K223-K227 PolarHBondContact O-N 3.39Å; K223-W237 PolarHBondContact O-NE1 3.34Å | ||
| 224 | E | 77.8 | Confident | 75.8 | Confident | 125 Ų | 125 | 73.8 Ų | 73.8 | 58% | 0.584 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -60 | -29.9 | -179.3 | -159.8 | 62.8 | -163.3 | 0 | 0 | 112.5 | C226 K227 | E224-C226 PolarHBondContact O-N 2.74Å; E224-K227 WeakPolarHBondContact O-CB 3.44Å; E224-K227 PolarHBondContact O-N 3.26Å; E224-K227 VanDerWaalsContact O-N 3.1Å; E224-K227 WeakPolarHBondContact OE1-CD 3.4Å; E224-K227 IonicContact OE1-NZ 3.84Å |
| 225 | S | 73.9 | Confident | 76.4 | Confident | 109 Ų | 109 | 71.7 Ų | 71.7 | 76% | 0.762 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -67 | -15.8 | 174.2 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | K223 | K223-S225 PolarHBondContact O-N 3.18Š|
| 226 | C | 73.7 | Confident | 77.2 | Confident | 31 Ų | 31 | 71 Ų | 71 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -101.4 | -3.7 | 174.9 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | K223 E224 W237 | K223-C226 HydrophobicContact CB-CB 4.25Å; K223-C226 WeakPolarHBondContact O-CB 3.5Å; K223-C226 PolarHBondContact O-N 2.88Å; E224-C226 PolarHBondContact O-N 2.74Å; C226-W237 WeakPolarHBondContact O-CZ2 3.43Å |
| 227 | K | 81.3 | Confident | 78.3 | Confident | 44 Ų | 44 | 64.8 Ų | 64.8 | 19% | 0.191 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -71.4 | 123.6 | 176 | -177.2 | -170.6 | 169.8 | -172.3 | 0 | 108.7 | K223 E224 W231 D233 W237 | K223-K227 PolarHBondContact O-N 3.39Å; E224-K227 WeakPolarHBondContact O-CB 3.44Å; E224-K227 PolarHBondContact O-N 3.26Å; E224-K227 VanDerWaalsContact O-N 3.1Å; E224-K227 WeakPolarHBondContact OE1-CD 3.4Å; E224-K227 IonicContact OE1-NZ 3.84Å; K227-W231 HydrophobicContact CD-CB 4.42Å; K227-W231 HydrophobicContact CG-CB 3.84Å; K227-W231 HydrophobicContact CG-CG 4.13Å; K227-D233 IonicContact NZ-OD1 2.98Å; K227-D233 PolarHBondContact NZ-OD1 2.94Å; K227-W237 HydrophobicContact CB-CB 4.3Å; K227-W237 HydrophobicContact CB-CD2 4.07Å; K227-W237 HydrophobicContact CB-CE3 4.47Å; K227-W237 HydrophobicContact CB-CG 3.96Å; K227-W237 HydrophobicContact CD-CB 4.31Å; K227-W237 HydrophobicContact CG-CB 4.19Å; K227-W237 HydrophobicContact CG-CD2 4.23Å; K227-W237 HydrophobicContact CG-CE3 4.21Å; K227-W237 HydrophobicContact CG-CG 4.22Å |
| 228 | P | 80.6 | Confident | 79.5 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | trans | -70.7 | 149.3 | 176 | 24.8 | -26.5 | 0 | 0 | 0 | 111 | L210 T214 W230 W231 W237 | L210-P228 HydrophobicContact CD2-CG 4Å; T214-P228 HydrophobicContact CG2-CB 4.34Å; P228-W230 HydrophobicContact CB-CD2 4.07Å; P228-W230 HydrophobicContact CB-CG 4.29Å; P228-W230 HydrophobicContact CB-CZ2 3.89Å; P228-W230 HydrophobicContact CG-CD2 4.14Å; P228-W230 HydrophobicContact CG-CE3 4.48Å; P228-W230 HydrophobicContact CG-CH2 3.97Å; P228-W230 HydrophobicContact CG-CZ2 3.6Å; P228-W230 HydrophobicContact CG-CZ3 4.39Å; P228-W230 PolarHBondContact O-N 2.65Å; P228-W230 VanDerWaalsContact O-N 3.15Å; P228-W231 HydrophobicContact CG-CB 4.11Å; P228-W231 HydrophobicContact CG-CE3 4.32Å; P228-W231 WeakPolarHBondContact O-CB 3.37Å; P228-W231 PolarHBondContact O-N 3.26Å; P228-W237 HydrophobicContact CG-CH2 4.45Å; P228-W237 HydrophobicContact CG-CZ3 4.27Å | ||
| 229 | V | 78.1 | Confident | 80.1 | Confident | 146 Ų | 146 | 57 Ų | 57 | 89% | 0.885 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.5 | -174.4 | -149.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 230 | W | 83.8 | Confident | 80.8 | Confident | 21 Ų | 21 | 55.9 Ų | 55.9 | 8% | 0.08 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4.8 | 177.8 | 53.8 | -98.1 | 0 | 0 | 0 | 113.6 | M209 L210 S213 P228 I262 N265 C266 Q269 | M209-W230 HydrophobicContact CE-CH2 3.71Å; M209-W230 HydrophobicContact CE-CZ3 4.1Å; L210-W230 HydrophobicContact CD2-CH2 3.47Å; L210-W230 VanDerWaalsContact CD2-CH2 3.47Å; L210-W230 HydrophobicContact CD2-CZ2 3.65Å; L210-W230 HydrophobicContact CG-CH2 4.28Å; S213-W230 PolarHBondContact OG-NE1 2.85Å; P228-W230 HydrophobicContact CB-CD2 4.07Å; P228-W230 HydrophobicContact CB-CG 4.29Å; P228-W230 HydrophobicContact CB-CZ2 3.89Å; P228-W230 HydrophobicContact CG-CD2 4.14Å; P228-W230 HydrophobicContact CG-CE3 4.48Å; P228-W230 HydrophobicContact CG-CH2 3.97Å; P228-W230 HydrophobicContact CG-CZ2 3.6Å; P228-W230 HydrophobicContact CG-CZ3 4.39Å; P228-W230 PolarHBondContact O-N 2.65Å; P228-W230 VanDerWaalsContact O-N 3.15Å; W230-I262 HydrophobicContact CZ3-CG2 3.99Å; W230-N265 WeakPolarHBondContact O-CB 3.16Å; W230-C266 HydrophobicContact CD2-CB 4.11Å; W230-C266 HydrophobicContact CE3-CB 3.78Å; W230-C266 HydrophobicContact CH2-CB 3.71Å; W230-C266 HydrophobicContact CZ2-CB 4.01Å; W230-C266 HydrophobicContact CZ3-CB 3.59Å; W230-Q269 HydrophobicContact CB-CB 3.87Å; W230-Q269 HydrophobicContact CB-CG 4Å; W230-Q269 HydrophobicContact CG-CB 4.14Å; W230-Q269 HydrophobicContact CG-CG 4.26Å |
| 231 | W | 84.4 | Confident | 81.3 | Confident | 5 Ų | 5 | 63.6 Ų | 63.6 | 2% | 0.019 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -65.7 | 131 | 178.6 | -168.9 | -88 | 0 | 0 | 0 | 110.1 | I206 L210 W221 K227 P228 D233 I235 W237 V240 I262 | I206-W231 HydrophobicContact CG2-CH2 4.47Å; I206-W231 HydrophobicContact CG2-CZ3 4.38Å; L210-W231 HydrophobicContact CD1-CZ3 4.18Å; L210-W231 HydrophobicContact CD2-CZ3 4.48Å; W221-W231 AromaticContact CH2-CH2 3.86Å; W221-W231 HydrophobicContact CH2-CH2 3.86Å; W221-W231 HydrophobicContact CH2-CZ3 4.4Å; W221-W231 AromaticContact CZ3-CH2 3.67Å; W221-W231 HydrophobicContact CZ3-CH2 3.67Å; W221-W231 HydrophobicContact CZ3-CZ2 4.1Å; W221-W231 HydrophobicContact CZ3-CZ3 4.31Å; K227-W231 HydrophobicContact CD-CB 4.42Å; K227-W231 HydrophobicContact CG-CB 3.84Å; K227-W231 HydrophobicContact CG-CG 4.13Å; P228-W231 HydrophobicContact CG-CB 4.11Å; P228-W231 HydrophobicContact CG-CE3 4.32Å; P228-W231 WeakPolarHBondContact O-CB 3.37Å; P228-W231 PolarHBondContact O-N 3.26Å; W231-D233 PolarHBondContact O-N 3.47Å; W231-I235 HydrophobicContact CZ2-CG2 4.26Å; W231-I235 PolarHBondContact NE1-O 3.12Å; W231-W237 AromaticContact CD2-CE3 3.61Å; W231-W237 HydrophobicContact CD2-CE3 3.61Å; W231-W237 AromaticContact CD2-CZ3 3.73Å; W231-W237 HydrophobicContact CD2-CZ3 3.73Å; W231-W237 AromaticContact CE2-CE3 3.66Å; W231-W237 AromaticContact CE3-CE3 3.86Å; W231-W237 HydrophobicContact CE3-CE3 3.86Å; W231-W237 AromaticContact CE3-CZ3 3.44Å; W231-W237 HydrophobicContact CE3-CZ3 3.44Å; W231-W237 VanDerWaalsContact CE3-CZ3 3.44Å; W231-W237 HydrophobicContact CG-CE3 4.11Å; W231-W237 HydrophobicContact CG-CZ3 4.47Å; W231-W237 HydrophobicContact CH2-CE3 4.09Å; W231-W237 AromaticContact CH2-CZ3 3.85Å; W231-W237 HydrophobicContact CH2-CZ3 3.85Å; W231-W237 AromaticContact CZ2-CE3 3.9Å; W231-W237 HydrophobicContact CZ2-CE3 3.9Å; W231-W237 HydrophobicContact CZ2-CZ3 4.15Å; W231-W237 HydrophobicContact CZ3-CE3 4.09Å; W231-W237 AromaticContact CZ3-CZ3 3.51Å; W231-W237 HydrophobicContact CZ3-CZ3 3.51Å; W231-V240 HydrophobicContact CH2-CG1 3.99Å; W231-V240 HydrophobicContact CZ2-CG1 4.48Å; W231-I262 HydrophobicContact CE3-CG2 3.88Å; W231-I262 HydrophobicContact CH2-CD1 3.63Å; W231-I262 HydrophobicContact CH2-CG1 4.29Å; W231-I262 HydrophobicContact CH2-CG2 3.97Å; W231-I262 HydrophobicContact CZ2-CD1 3.64Å; W231-I262 HydrophobicContact CZ2-CG1 4.34Å; W231-I262 HydrophobicContact CZ3-CD1 4.2Å; W231-I262 HydrophobicContact CZ3-CG1 4.4Å; W231-I262 HydrophobicContact CZ3-CG2 3.45Å; W231-I262 VanDerWaalsContact CZ3-CG2 3.45Å |
| 232 | P | 85.8 | Confident | 81.1 | Confident | 7 Ų | 7 | 63 Ų | 63 | 5% | 0.045 | 35% | 0.35 | C | S | . | . | trans | -59 | 132.1 | -178.3 | -21.6 | 32.4 | 0 | 0 | 0 | 112.3 | D234 I235 T261 I262 | P232-D234 WeakPolarHBondContact CB-OD1 3.47Å; P232-D234 PolarHBondContact O-N 3.4Å; P232-I235 HydrophobicContact CB-CB 4.4Å; P232-I235 HydrophobicContact CB-CD1 3.93Å; P232-I235 HydrophobicContact CB-CG1 4.09Å; P232-I235 HydrophobicContact CG-CD1 3.9Å; P232-I235 PolarHBondContact O-N 3.4Å; P232-I235 VanDerWaalsContact O-N 3.15Å; P232-I235 VanDerWaalsContact O-O 3.12Å; P232-T261 HydrophobicContact CG-CG2 4.18Å; P232-I262 HydrophobicContact CG-CG1 3.94Å | ||
| 233 | D | 79.3 | Confident | 81.4 | Confident | 143 Ų | 143 | 61.9 Ų | 61.9 | 77% | 0.765 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -20.6 | -177.6 | -69.3 | -41.3 | 0 | 0 | 0 | 113.6 | K227 W231 I235 | K227-D233 IonicContact NZ-OD1 2.98Å; K227-D233 PolarHBondContact NZ-OD1 2.94Å; W231-D233 PolarHBondContact O-N 3.47Å; D233-I235 VanDerWaalsContact C-N 3.25Å |
| 234 | D | 79.4 | Confident | 81.5 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.6 | 173.6 | 63.5 | -46 | 0 | 0 | 0 | 113 | P232 | P232-D234 WeakPolarHBondContact CB-OD1 3.47Å; P232-D234 PolarHBondContact O-N 3.4Å |
| 235 | I | 83.7 | Confident | 81.7 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -111.9 | 119.2 | 180 | -54.6 | 172.9 | 0 | 0 | 0 | 110.1 | W231 P232 D233 W255 A258 I262 | W231-I235 HydrophobicContact CZ2-CG2 4.26Å; W231-I235 PolarHBondContact NE1-O 3.12Å; P232-I235 HydrophobicContact CB-CB 4.4Å; P232-I235 HydrophobicContact CB-CD1 3.93Å; P232-I235 HydrophobicContact CB-CG1 4.09Å; P232-I235 HydrophobicContact CG-CD1 3.9Å; P232-I235 PolarHBondContact O-N 3.4Å; P232-I235 VanDerWaalsContact O-N 3.15Å; P232-I235 VanDerWaalsContact O-O 3.12Å; D233-I235 VanDerWaalsContact C-N 3.25Å; I235-W255 HydrophobicContact CG2-CH2 4.28Å; I235-W255 HydrophobicContact CG2-CZ3 4.15Å; I235-A258 HydrophobicContact CD1-CB 3.72Å; I235-A258 WeakPolarHBondContact CD1-O 3.49Å; I235-A258 HydrophobicContact CG1-CB 4.29Å; I235-I262 HydrophobicContact CD1-CD1 3.74Å; I235-I262 HydrophobicContact CD1-CG1 3.63Å; I235-I262 HydrophobicContact CG2-CD1 4.18Å |
| 236 | P | 84.5 | Confident | 82 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | trans | -62.3 | 143.1 | 178.3 | 25.7 | -33.3 | 0 | 0 | 0 | 111.2 | A238 V244 R245 | P236-A238 VanDerWaalsContact C-N 3.25Å; P236-A238 PolarHBondContact O-N 3.12Å; P236-V244 HydrophobicContact CB-CG2 4.26Å; P236-V244 HydrophobicContact CG-CG2 3.65Å; P236-R245 HydrophobicContact CG-CG 3.97Å | ||
| 237 | W | 87.2 | Confident | 82 | Confident | 15 Ų | 15 | 56.5 Ų | 56.5 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -72.7 | 79 | 176.6 | 180 | -118.4 | 0 | 0 | 0 | 111.2 | L210 P219 G220 W221 G222 K223 C226 K227 P228 W231 | L210-W237 HydrophobicContact CD1-CH2 4.06Å; L210-W237 HydrophobicContact CD1-CZ3 4.33Å; L210-W237 HydrophobicContact CD2-CH2 4.11Å; L210-W237 HydrophobicContact CD2-CZ3 4.39Å; P219-W237 HydrophobicContact CB-CH2 4.23Å; P219-W237 HydrophobicContact CB-CZ2 4.16Å; P219-W237 VanDerWaalsContact O-CZ2 3.31Å; P219-W237 WeakPolarHBondContact O-CZ2 3.44Å; G220-W237 PolarHBondContact O-NE1 3.4Å; W221-W237 AromaticContact CE3-CD2 3.82Å; W221-W237 HydrophobicContact CE3-CD2 3.82Å; W221-W237 AromaticContact CE3-CE2 3.84Å; W221-W237 AromaticContact CE3-CE3 3.88Å; W221-W237 HydrophobicContact CE3-CE3 3.88Å; W221-W237 HydrophobicContact CE3-CH2 4.01Å; W221-W237 AromaticContact CE3-CZ2 3.95Å; W221-W237 HydrophobicContact CE3-CZ2 3.95Å; W221-W237 AromaticContact CE3-CZ3 3.97Å; W221-W237 HydrophobicContact CE3-CZ3 3.97Å; W221-W237 HydrophobicContact CH2-CH2 4.31Å; W221-W237 HydrophobicContact CH2-CZ3 4.18Å; W221-W237 HydrophobicContact CZ3-CD2 4.02Å; W221-W237 AromaticContact CZ3-CE3 3.57Å; W221-W237 HydrophobicContact CZ3-CE3 3.57Å; W221-W237 AromaticContact CZ3-CH2 3.67Å; W221-W237 HydrophobicContact CZ3-CH2 3.67Å; W221-W237 HydrophobicContact CZ3-CZ2 4.11Å; W221-W237 AromaticContact CZ3-CZ3 3.37Å; W221-W237 HydrophobicContact CZ3-CZ3 3.37Å; G222-W237 WeakPolarHBondContact CA-O 3.45Å; G222-W237 VanDerWaalsContact N-CD1 3.29Å; G222-W237 PolarHBondContact N-O 2.89Å; K223-W237 PolarHBondContact O-NE1 3.34Å; C226-W237 WeakPolarHBondContact O-CZ2 3.43Å; K227-W237 HydrophobicContact CB-CB 4.3Å; K227-W237 HydrophobicContact CB-CD2 4.07Å; K227-W237 HydrophobicContact CB-CE3 4.47Å; K227-W237 HydrophobicContact CB-CG 3.96Å; K227-W237 HydrophobicContact CD-CB 4.31Å; K227-W237 HydrophobicContact CG-CB 4.19Å; K227-W237 HydrophobicContact CG-CD2 4.23Å; K227-W237 HydrophobicContact CG-CE3 4.21Å; K227-W237 HydrophobicContact CG-CG 4.22Å; P228-W237 HydrophobicContact CG-CH2 4.45Å; P228-W237 HydrophobicContact CG-CZ3 4.27Å; W231-W237 AromaticContact CD2-CE3 3.61Å; W231-W237 HydrophobicContact CD2-CE3 3.61Å; W231-W237 AromaticContact CD2-CZ3 3.73Å; W231-W237 HydrophobicContact CD2-CZ3 3.73Å; W231-W237 AromaticContact CE2-CE3 3.66Å; W231-W237 AromaticContact CE3-CE3 3.86Å; W231-W237 HydrophobicContact CE3-CE3 3.86Å; W231-W237 AromaticContact CE3-CZ3 3.44Å; W231-W237 HydrophobicContact CE3-CZ3 3.44Å; W231-W237 VanDerWaalsContact CE3-CZ3 3.44Å; W231-W237 HydrophobicContact CG-CE3 4.11Å; W231-W237 HydrophobicContact CG-CZ3 4.47Å; W231-W237 HydrophobicContact CH2-CE3 4.09Å; W231-W237 AromaticContact CH2-CZ3 3.85Å; W231-W237 HydrophobicContact CH2-CZ3 3.85Å; W231-W237 AromaticContact CZ2-CE3 3.9Å; W231-W237 HydrophobicContact CZ2-CE3 3.9Å; W231-W237 HydrophobicContact CZ2-CZ3 4.15Å; W231-W237 HydrophobicContact CZ3-CE3 4.09Å; W231-W237 AromaticContact CZ3-CZ3 3.51Å; W231-W237 HydrophobicContact CZ3-CZ3 3.51Å |
| 238 | A | 84.9 | Confident | 81.9 | Confident | 21 Ų | 21 | 61 Ų | 61 | 17% | 0.174 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -140.1 | 167.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | W221 P236 V240 V244 | W221-A238 WeakPolarHBondContact CZ3-O 3.28Å; P236-A238 VanDerWaalsContact C-N 3.25Å; P236-A238 PolarHBondContact O-N 3.12Å; A238-V240 PolarHBondContact O-N 2.69Å; A238-V244 HydrophobicContact CB-CG2 3.4Å; A238-V244 VanDerWaalsContact CB-CG2 3.4Å |
| 239 | N | 83.9 | Confident | 81.8 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | trans | -59 | 115.2 | -178.3 | -174.5 | -14.3 | 0 | 0 | 0 | 111 | W221 R241 S242 | W221-N239 HydrophobicContact CG-CB 4.33Å; N239-R241 PolarHBondContact O-N 2.91Å; N239-R241 WeakPolarHBondContact OD1-CB 3.4Å; N239-R241 WeakPolarHBondContact OD1-CG 3.49Å; N239-R241 PolarHBondContact OD1-N 3.39Å; N239-R241 VanDerWaalsContact OD1-N 3.07Å; N239-S242 PolarHBondContact O-N 3.42Å; N239-S242 PolarHBondContact O-OG 2.63Å; N239-S242 VanDerWaalsContact O-OG 3.11Å | ||
| 240 | V | 85.3 | Confident | 82 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -11.8 | -178 | -81.2 | 0 | 0 | 0 | 0 | 115 | R203 I206 P207 W221 W231 A238 S242 W255 L259 I262 | R203-V240 WeakPolarHBondContact CG-O 3.43Å; R203-V240 PolarHBondContact NE-O 2.82Å; I206-V240 HydrophobicContact CB-CG2 4.38Å; I206-V240 HydrophobicContact CD1-CG1 4.28Å; I206-V240 HydrophobicContact CG2-CG1 4.24Å; I206-V240 HydrophobicContact CG2-CG2 4.16Å; P207-V240 HydrophobicContact CG-CG2 4.48Å; W221-V240 HydrophobicContact CH2-CG1 4.22Å; W221-V240 HydrophobicContact CH2-CG2 4.14Å; W221-V240 HydrophobicContact CZ2-CG2 4.01Å; W231-V240 HydrophobicContact CH2-CG1 3.99Å; W231-V240 HydrophobicContact CZ2-CG1 4.48Å; A238-V240 PolarHBondContact O-N 2.69Å; V240-S242 VanDerWaalsContact C-N 3.29Å; V240-W255 HydrophobicContact CB-CZ2 4.21Å; V240-W255 HydrophobicContact CG1-CH2 4.46Å; V240-W255 HydrophobicContact CG1-CZ2 4.19Å; V240-W255 VanDerWaalsContact O-CZ2 3.32Å; V240-W255 WeakPolarHBondContact O-CZ2 3.32Å; V240-W255 PolarHBondContact O-NE1 3.45Å; V240-L259 HydrophobicContact CB-CD2 3.96Å; V240-L259 HydrophobicContact CG1-CD2 3.66Å; V240-I262 HydrophobicContact CG1-CD1 4.34Å |
| 241 | R | 81.4 | Confident | 81.7 | Confident | 188 Ų | 188 | 66.7 Ų | 66.7 | 71% | 0.709 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -29.9 | 171.3 | -65.6 | -177.2 | -179.7 | -165.5 | -1.2 | 112.7 | R203 N239 | R203-R241 PolarHBondContact NE-O 2.94Å; R203-R241 PolarHBondContact NH2-O 3.5Å; N239-R241 PolarHBondContact O-N 2.91Å; N239-R241 WeakPolarHBondContact OD1-CB 3.4Å; N239-R241 WeakPolarHBondContact OD1-CG 3.49Å; N239-R241 PolarHBondContact OD1-N 3.39Å; N239-R241 VanDerWaalsContact OD1-N 3.07Å |
| 242 | S | 79.1 | Confident | 81.7 | Confident | 57 Ų | 57 | 76 Ų | 76 | 40% | 0.399 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -118.5 | 124.1 | -179.2 | 51 | 0 | 0 | 0 | 0 | 110.7 | N239 V240 V244 | N239-S242 PolarHBondContact O-N 3.42Å; N239-S242 PolarHBondContact O-OG 2.63Å; N239-S242 VanDerWaalsContact O-OG 3.11Å; V240-S242 VanDerWaalsContact C-N 3.29Å; S242-V244 PolarHBondContact O-N 3.42Å |
| 243 | D | 82.9 | Confident | 81.5 | Confident | 41 Ų | 41 | 77.9 Ų | 77.9 | 22% | 0.219 | 38% | 0.384 | C | S | . | . | trans | -79.4 | 100.5 | 172.7 | -170.1 | -7 | 0 | 0 | 0 | 109.3 | R245 W255 | D243-R245 WeakPolarHBondContact OD1-CB 3.26Å; D243-R245 VanDerWaalsContact OD1-CG 3.26Å; D243-R245 WeakPolarHBondContact OD1-CG 3.22Å; D243-R245 IonicContact OD1-CZ 2.65Å; D243-R245 PolarHBondContact OD1-N 3.07Å; D243-R245 VanDerWaalsContact OD1-N 3.12Å; D243-R245 IonicContact OD1-NE 3.18Å; D243-R245 PolarHBondContact OD1-NE 3.3Å; D243-R245 IonicContact OD1-NH2 3Å; D243-R245 IonicContact OD2-CZ 2.85Å; D243-R245 IonicContact OD2-NE 2.67Å; D243-R245 PolarHBondContact OD2-NE 3.01Å; D243-R245 IonicContact OD2-NH2 2.85Å; D243-R245 PolarHBondContact OD2-NH2 2.83Å; D243-W255 HydrophobicContact CB-CD2 3.74Å; D243-W255 HydrophobicContact CB-CE3 3.9Å; D243-W255 HydrophobicContact CB-CG 4.06Å; D243-W255 HydrophobicContact CB-CZ3 4.45Å | ||
| 244 | V | 81.3 | Confident | 82 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | trans | -95.1 | 11.4 | -180 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | P236 A238 S242 | P236-V244 HydrophobicContact CB-CG2 4.26Å; P236-V244 HydrophobicContact CG-CG2 3.65Å; A238-V244 HydrophobicContact CB-CG2 3.4Å; A238-V244 VanDerWaalsContact CB-CG2 3.4Å; S242-V244 PolarHBondContact O-N 3.42Å | ||
| 245 | R | 81.3 | Confident | 82.3 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -66.6 | 156.7 | 175 | -65.2 | 179 | -60.4 | 153.8 | 9.5 | 110.8 | P236 D243 Q249 K250 V253 | P236-R245 HydrophobicContact CG-CG 3.97Å; D243-R245 WeakPolarHBondContact OD1-CB 3.26Å; D243-R245 VanDerWaalsContact OD1-CG 3.26Å; D243-R245 WeakPolarHBondContact OD1-CG 3.22Å; D243-R245 IonicContact OD1-CZ 2.65Å; D243-R245 PolarHBondContact OD1-N 3.07Å; D243-R245 VanDerWaalsContact OD1-N 3.12Å; D243-R245 IonicContact OD1-NE 3.18Å; D243-R245 PolarHBondContact OD1-NE 3.3Å; D243-R245 IonicContact OD1-NH2 3Å; D243-R245 IonicContact OD2-CZ 2.85Å; D243-R245 IonicContact OD2-NE 2.67Å; D243-R245 PolarHBondContact OD2-NE 3.01Å; D243-R245 IonicContact OD2-NH2 2.85Å; D243-R245 PolarHBondContact OD2-NH2 2.83Å; R245-Q249 HydrophobicContact CB-CB 3.99Å; R245-K250 HydrophobicContact CB-CG 4.28Å; R245-K250 WeakPolarHBondContact O-CE 3.34Å; R245-V253 PolarHBondContact NH1-O 2.58Å; R245-V253 PolarHBondContact NH2-O 3.45Å |
| 246 | T | 80.9 | Confident | 82.5 | Confident | 78 Ų | 78 | 73.1 Ų | 73.1 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | trans | -67.7 | 156.5 | 173.1 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | E248 Q249 K250 | T246-E248 PolarHBondContact O-N 3.19Å; T246-Q249 WeakPolarHBondContact O-CB 3.49Å; T246-Q249 PolarHBondContact O-N 3Å; T246-Q249 VanDerWaalsContact OG1-CD 3.25Å; T246-Q249 VanDerWaalsContact OG1-CG 3.32Å; T246-Q249 WeakPolarHBondContact OG1-CG 3.46Å; T246-Q249 PolarHBondContact OG1-OE1 2.71Å; T246-K250 WeakPolarHBondContact O-CG 3.5Å; T246-K250 PolarHBondContact O-N 3.07Å | ||
| 247 | E | 73.4 | Confident | 82.5 | Confident | 113 Ų | 113 | 74.9 Ų | 74.9 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.3 | -34 | -176.8 | -157.3 | 56.7 | -141.2 | 0 | 0 | 112.4 | Q249 K250 Q251 | E247-Q249 PolarHBondContact O-N 3.15Å; E247-K250 PolarHBondContact O-N 3.45Å; E247-K250 WeakPolarHBondContact OE2-CD 3.15Å; E247-K250 IonicContact OE2-NZ 2.97Å; E247-K250 PolarHBondContact OE2-NZ 2.95Å; E247-Q251 WeakPolarHBondContact O-CG 2.98Å; E247-Q251 PolarHBondContact O-N 3.04Å |
| 248 | E | 78.8 | Confident | 82.5 | Confident | 137 Ų | 137 | 74.1 Ų | 74.1 | 64% | 0.64 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.5 | -37.6 | 174 | -62.1 | 174.9 | -170.9 | 0 | 0 | 112.7 | T246 R252 | T246-E248 PolarHBondContact O-N 3.19Å; E248-R252 WeakPolarHBondContact O-CG 3.49Å; E248-R252 PolarHBondContact O-N 3.31Å |
| 249 | Q | 77.6 | Confident | 82.7 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 33% | 0.332 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -74.7 | -34.6 | 176.4 | -72.5 | 169 | -36.8 | 0 | 0 | 112 | R245 T246 E247 Q251 R252 V253 | R245-Q249 HydrophobicContact CB-CB 3.99Å; T246-Q249 WeakPolarHBondContact O-CB 3.49Å; T246-Q249 PolarHBondContact O-N 3Å; T246-Q249 VanDerWaalsContact OG1-CD 3.25Å; T246-Q249 VanDerWaalsContact OG1-CG 3.32Å; T246-Q249 WeakPolarHBondContact OG1-CG 3.46Å; T246-Q249 PolarHBondContact OG1-OE1 2.71Å; E247-Q249 PolarHBondContact O-N 3.15Å; Q249-Q251 VanDerWaalsContact C-N 3.34Å; Q249-R252 PolarHBondContact O-N 3.11Å; Q249-V253 PolarHBondContact O-N 2.93Å |
| 250 | K | 82.8 | Confident | 82.9 | Confident | 73 Ų | 73 | 71.5 Ų | 71.5 | 32% | 0.317 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 175.1 | -68.3 | 175.8 | -170.3 | 160.5 | 0 | 112 | R245 T246 E247 R252 V253 | R245-K250 HydrophobicContact CB-CG 4.28Å; R245-K250 WeakPolarHBondContact O-CE 3.34Å; T246-K250 WeakPolarHBondContact O-CG 3.5Å; T246-K250 PolarHBondContact O-N 3.07Å; E247-K250 PolarHBondContact O-N 3.45Å; E247-K250 WeakPolarHBondContact OE2-CD 3.15Å; E247-K250 IonicContact OE2-NZ 2.97Å; E247-K250 PolarHBondContact OE2-NZ 2.95Å; K250-R252 VanDerWaalsContact C-N 3.29Å; K250-R252 PolarHBondContact O-N 3.27Å; K250-V253 CarbonylContact O-C 3.54Å |
| 251 | Q | 77.5 | Confident | 82.9 | Confident | 159 Ų | 159 | 73.6 Ų | 73.6 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66.8 | -28.8 | 176.3 | -74.4 | 174.7 | 11.2 | 0 | 0 | 112.9 | E247 Q249 | E247-Q251 WeakPolarHBondContact O-CG 2.98Å; E247-Q251 PolarHBondContact O-N 3.04Å; Q249-Q251 VanDerWaalsContact C-N 3.34Å |
| 252 | R | 84.3 | Confident | 83.3 | Confident | 201 Ų | 201 | 64.7 Ų | 64.7 | 76% | 0.758 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -74.8 | -43 | 177.6 | -70.6 | 178.2 | -171.6 | -179.2 | 4.5 | 113 | E248 Q249 K250 | E248-R252 WeakPolarHBondContact O-CG 3.49Å; E248-R252 PolarHBondContact O-N 3.31Å; Q249-R252 PolarHBondContact O-N 3.11Å; K250-R252 VanDerWaalsContact C-N 3.29Å; K250-R252 PolarHBondContact O-N 3.27Å |
| 253 | V | 82.9 | Confident | 83.6 | Confident | 45 Ų | 45 | 62 Ų | 62 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -142.4 | 122.2 | -174.3 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | R245 Q249 K250 Q257 A258 | R245-V253 PolarHBondContact NH1-O 2.58Å; R245-V253 PolarHBondContact NH2-O 3.45Å; Q249-V253 PolarHBondContact O-N 2.93Å; K250-V253 CarbonylContact O-C 3.54Å; V253-Q257 HydrophobicContact CG1-CB 3.66Å; V253-Q257 HydrophobicContact CG1-CG 3.77Å; V253-A258 HydrophobicContact CG1-CB 4.21Å |
| 254 | S | 88.1 | Confident | 83.7 | Confident | 74 Ų | 74 | 62.9 Ų | 62.9 | 52% | 0.517 | 31% | 0.308 | S | S | . | . | trans | -57.9 | 148.4 | 174.7 | 75 | 0 | 0 | 0 | 0 | 111 | T256 Q257 A258 | S254-T256 VanDerWaalsContact C-N 3.26Å; S254-T256 PolarHBondContact O-N 3.31Å; S254-Q257 PolarHBondContact O-N 3.21Å; S254-Q257 WeakPolarHBondContact OG-CB 3.43Å; S254-Q257 PolarHBondContact OG-N 3.35Å; S254-A258 PolarHBondContact O-N 3.42Å | ||
| 255 | W | 86.9 | Confident | 83.9 | Confident | 22 Ų | 22 | 61.5 Ų | 61.5 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.1 | -40.3 | -177.3 | -175.2 | -113.7 | 0 | 0 | 0 | 112.6 | Q199 I235 V240 D243 Q257 A258 L259 | Q199-W255 VanDerWaalsContact NE2-CD1 3.26Å; I235-W255 HydrophobicContact CG2-CH2 4.28Å; I235-W255 HydrophobicContact CG2-CZ3 4.15Å; V240-W255 HydrophobicContact CB-CZ2 4.21Å; V240-W255 HydrophobicContact CG1-CH2 4.46Å; V240-W255 HydrophobicContact CG1-CZ2 4.19Å; V240-W255 VanDerWaalsContact O-CZ2 3.32Å; V240-W255 WeakPolarHBondContact O-CZ2 3.32Å; V240-W255 PolarHBondContact O-NE1 3.45Å; D243-W255 HydrophobicContact CB-CD2 3.74Å; D243-W255 HydrophobicContact CB-CE3 3.9Å; D243-W255 HydrophobicContact CB-CG 4.06Å; D243-W255 HydrophobicContact CB-CZ3 4.45Å; W255-Q257 VanDerWaalsContact C-N 3.3Å; W255-Q257 PolarHBondContact O-N 3.45Å; W255-A258 HydrophobicContact CE3-CB 4.08Å; W255-A258 HydrophobicContact CZ3-CB 4.32Å; W255-A258 WeakPolarHBondContact O-CB 3.25Å; W255-A258 PolarHBondContact O-N 3.04Å; W255-L259 HydrophobicContact CD2-CD2 4.36Å; W255-L259 HydrophobicContact CD2-CG 4.23Å; W255-L259 HydrophobicContact CG-CG 4.46Å; W255-L259 HydrophobicContact CH2-CD2 3.92Å; W255-L259 HydrophobicContact CZ2-CD2 3.38Å; W255-L259 HydrophobicContact CZ2-CG 4.1Å; W255-L259 WeakPolarHBondContact O-CG 3.28Å; W255-L259 PolarHBondContact O-N 3Å |
| 256 | T | 86.8 | Confident | 84.1 | Confident | 30 Ų | 30 | 61 Ų | 61 | 18% | 0.184 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.4 | -44 | 175.4 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | Q199 L202 S254 L259 R260 | Q199-T256 PolarHBondContact OE1-OG1 3.26Å; L202-T256 HydrophobicContact CD1-CG2 3.96Å; S254-T256 VanDerWaalsContact C-N 3.26Å; S254-T256 PolarHBondContact O-N 3.31Å; T256-L259 PolarHBondContact O-N 3.24Å; T256-R260 WeakPolarHBondContact O-CG 3.45Å; T256-R260 PolarHBondContact O-N 3.21Å |
| 257 | Q | 85.3 | Confident | 84 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 178.9 | -172.2 | 66 | 10.1 | 0 | 0 | 111.8 | V253 S254 W255 L259 R260 T261 | V253-Q257 HydrophobicContact CG1-CB 3.66Å; V253-Q257 HydrophobicContact CG1-CG 3.77Å; S254-Q257 PolarHBondContact O-N 3.21Å; S254-Q257 WeakPolarHBondContact OG-CB 3.43Å; S254-Q257 PolarHBondContact OG-N 3.35Å; W255-Q257 VanDerWaalsContact C-N 3.3Å; W255-Q257 PolarHBondContact O-N 3.45Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; Q257-L259 PolarHBondContact O-N 3.13Å; Q257-R260 PolarHBondContact O-N 2.86Å; Q257-T261 PolarHBondContact O-N 3.33Å; Q257-T261 PolarHBondContact O-OG1 3.46Å; Q257-T261 VanDerWaalsContact O-OG1 3.07Å |
| 258 | A | 87.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I235 V253 S254 W255 T261 I262 | I235-A258 HydrophobicContact CD1-CB 3.72Å; I235-A258 WeakPolarHBondContact CD1-O 3.49Å; I235-A258 HydrophobicContact CG1-CB 4.29Å; V253-A258 HydrophobicContact CG1-CB 4.21Å; S254-A258 PolarHBondContact O-N 3.42Å; W255-A258 HydrophobicContact CE3-CB 4.08Å; W255-A258 HydrophobicContact CZ3-CB 4.32Å; W255-A258 WeakPolarHBondContact O-CB 3.25Å; W255-A258 PolarHBondContact O-N 3.04Å; A258-T261 WeakPolarHBondContact O-CB 3.49Å; A258-T261 PolarHBondContact O-N 2.92Å; A258-I262 WeakPolarHBondContact O-CG1 3.5Å; A258-I262 PolarHBondContact O-N 3.32Å; A258-I262 VanDerWaalsContact O-N 3.13Å |
| 259 | L | 88.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 174.9 | -67.6 | -173.6 | 0 | 0 | 0 | 112.9 | Q199 L202 R203 I206 V240 W255 T256 Q257 T261 I262 V263 | Q199-L259 HydrophobicContact CG-CD1 4.25Å; L202-L259 HydrophobicContact CB-CB 3.94Å; L202-L259 HydrophobicContact CB-CD1 3.75Å; L202-L259 HydrophobicContact CD1-CB 3.84Å; L202-L259 HydrophobicContact CD1-CD1 4.49Å; L202-L259 HydrophobicContact CG-CB 4.37Å; R203-L259 HydrophobicContact CG-CD1 3.8Å; I206-L259 HydrophobicContact CD1-CB 4.06Å; I206-L259 HydrophobicContact CD1-CD2 3.65Å; I206-L259 HydrophobicContact CD1-CG 4.32Å; V240-L259 HydrophobicContact CB-CD2 3.96Å; V240-L259 HydrophobicContact CG1-CD2 3.66Å; W255-L259 HydrophobicContact CD2-CD2 4.36Å; W255-L259 HydrophobicContact CD2-CG 4.23Å; W255-L259 HydrophobicContact CG-CG 4.46Å; W255-L259 HydrophobicContact CH2-CD2 3.92Å; W255-L259 HydrophobicContact CZ2-CD2 3.38Å; W255-L259 HydrophobicContact CZ2-CG 4.1Å; W255-L259 WeakPolarHBondContact O-CG 3.28Å; W255-L259 PolarHBondContact O-N 3Å; T256-L259 PolarHBondContact O-N 3.24Å; Q257-L259 VanDerWaalsContact C-N 3.32Å; Q257-L259 PolarHBondContact O-N 3.13Å; L259-T261 VanDerWaalsContact C-N 3.33Å; L259-I262 HydrophobicContact CD2-CD1 4.12Å; L259-I262 WeakPolarHBondContact O-CB 3.25Å; L259-I262 PolarHBondContact O-N 2.9Å; L259-V263 PolarHBondContact O-N 3.45Å |
| 260 | R | 88.3 | Confident | 84.1 | Confident | 32 Ų | 32 | 54.9 Ų | 54.9 | 12% | 0.121 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 174.2 | -69.7 | -177.1 | -163 | -47.9 | -0.2 | 111.2 | V194 D195 M197 L202 T256 Q257 I262 V263 K264 | V194-R260 HydrophobicContact CG1-CB 4.05Å; V194-R260 HydrophobicContact CG1-CG 4.16Å; V194-R260 PolarHBondContact O-NH1 2.97Å; D195-R260 VanDerWaalsContact C-CZ 3.48Å; D195-R260 PolarHBondContact O-NE 3.32Å; D195-R260 PolarHBondContact O-NH1 3.2Å; D195-R260 PolarHBondContact O-NH2 3.38Å; M197-R260 PolarHBondContact O-NH1 3.44Å; M197-R260 PolarHBondContact O-NH2 2.97Å; L202-R260 HydrophobicContact CD1-CG 3.8Å; L202-R260 HydrophobicContact CD2-CG 4.44Å; T256-R260 WeakPolarHBondContact O-CG 3.45Å; T256-R260 PolarHBondContact O-N 3.21Å; Q257-R260 PolarHBondContact O-N 2.86Å; R260-I262 VanDerWaalsContact C-N 3.34Å; R260-I262 PolarHBondContact O-N 3.46Å; R260-V263 PolarHBondContact O-N 3.3Å; R260-K264 WeakPolarHBondContact O-CG 3.46Å; R260-K264 PolarHBondContact O-N 2.89Å |
| 261 | T | 86.8 | Confident | 83.4 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 28% | 0.276 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 177 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | P232 Q257 A258 L259 V263 K264 N265 | P232-T261 HydrophobicContact CG-CG2 4.18Å; Q257-T261 PolarHBondContact O-N 3.33Å; Q257-T261 PolarHBondContact O-OG1 3.46Å; Q257-T261 VanDerWaalsContact O-OG1 3.07Å; A258-T261 WeakPolarHBondContact O-CB 3.49Å; A258-T261 PolarHBondContact O-N 2.92Å; L259-T261 VanDerWaalsContact C-N 3.33Å; T261-V263 VanDerWaalsContact C-N 3.33Å; T261-V263 PolarHBondContact O-N 2.98Å; T261-K264 PolarHBondContact O-N 3.28Å; T261-N265 WeakPolarHBondContact O-CB 3.21Å; T261-N265 PolarHBondContact O-N 3.26Å |
| 262 | I | 88.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.8 | -47.7 | 174.8 | -68.5 | 166.2 | 0 | 0 | 0 | 110.9 | I206 M209 W230 W231 P232 I235 V240 A258 L259 R260 C266 | I206-I262 HydrophobicContact CD1-CB 4.41Å; I206-I262 HydrophobicContact CD1-CG2 4.23Å; I206-I262 HydrophobicContact CG1-CG2 4.36Å; I206-I262 HydrophobicContact CG2-CG2 4.3Å; M209-I262 HydrophobicContact CE-CG2 4.25Å; W230-I262 HydrophobicContact CZ3-CG2 3.99Å; W231-I262 HydrophobicContact CE3-CG2 3.88Å; W231-I262 HydrophobicContact CH2-CD1 3.63Å; W231-I262 HydrophobicContact CH2-CG1 4.29Å; W231-I262 HydrophobicContact CH2-CG2 3.97Å; W231-I262 HydrophobicContact CZ2-CD1 3.64Å; W231-I262 HydrophobicContact CZ2-CG1 4.34Å; W231-I262 HydrophobicContact CZ3-CD1 4.2Å; W231-I262 HydrophobicContact CZ3-CG1 4.4Å; W231-I262 HydrophobicContact CZ3-CG2 3.45Å; W231-I262 VanDerWaalsContact CZ3-CG2 3.45Å; P232-I262 HydrophobicContact CG-CG1 3.94Å; I235-I262 HydrophobicContact CD1-CD1 3.74Å; I235-I262 HydrophobicContact CD1-CG1 3.63Å; I235-I262 HydrophobicContact CG2-CD1 4.18Å; V240-I262 HydrophobicContact CG1-CD1 4.34Å; A258-I262 WeakPolarHBondContact O-CG1 3.5Å; A258-I262 PolarHBondContact O-N 3.32Å; A258-I262 VanDerWaalsContact O-N 3.13Å; L259-I262 HydrophobicContact CD2-CD1 4.12Å; L259-I262 WeakPolarHBondContact O-CB 3.25Å; L259-I262 PolarHBondContact O-N 2.9Å; R260-I262 VanDerWaalsContact C-N 3.34Å; R260-I262 PolarHBondContact O-N 3.46Å; I262-C266 PolarHBondContact O-N 3.41Å; I262-C266 VanDerWaalsContact O-N 3.11Å |
| 263 | V | 86.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -46.9 | -179.9 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | L185 V194 L202 F205 I206 M209 L259 R260 T261 N265 C266 Y267 | L185-V263 HydrophobicContact CD2-CG1 4.26Å; V194-V263 HydrophobicContact CB-CG1 4.49Å; V194-V263 HydrophobicContact CG1-CB 3.98Å; V194-V263 HydrophobicContact CG1-CG1 3.99Å; V194-V263 HydrophobicContact CG2-CB 4.47Å; V194-V263 HydrophobicContact CG2-CG1 3.59Å; L202-V263 HydrophobicContact CD2-CG2 4.02Å; F205-V263 HydrophobicContact CD1-CG1 4.34Å; F205-V263 HydrophobicContact CD1-CG2 4.07Å; F205-V263 HydrophobicContact CE1-CG1 3.87Å; F205-V263 HydrophobicContact CE1-CG2 4.36Å; I206-V263 HydrophobicContact CD1-CG2 4.24Å; I206-V263 HydrophobicContact CG1-CG2 3.74Å; M209-V263 HydrophobicContact SD-CB 4.29Å; M209-V263 HydrophobicContact SD-CG1 4.04Å; M209-V263 HydrophobicContact SD-CG2 4.22Å; L259-V263 PolarHBondContact O-N 3.45Å; R260-V263 PolarHBondContact O-N 3.3Å; T261-V263 VanDerWaalsContact C-N 3.33Å; T261-V263 PolarHBondContact O-N 2.98Å; V263-N265 PolarHBondContact O-N 3.11Å; V263-C266 WeakPolarHBondContact O-CB 3.34Å; V263-C266 PolarHBondContact O-N 3.33Å; V263-Y267 HydrophobicContact CG1-CD2 3.94Å; V263-Y267 HydrophobicContact CG1-CE2 3.94Å; V263-Y267 VanDerWaalsContact O-CD2 3.28Å; V263-Y267 WeakPolarHBondContact O-CD2 3.33Å; V263-Y267 PolarHBondContact O-N 2.95Å; V263-Y267 VanDerWaalsContact O-N 3.12Å |
| 264 | K | 85.3 | Confident | 81.2 | Confident | 61 Ų | 61 | 46.4 Ų | 46.4 | 27% | 0.265 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.7 | -43.9 | 178 | -70.7 | -178.3 | 179 | -170.8 | 0 | 112.1 | V194 D195 R260 T261 Y267 K268 L276 | V194-K264 HydrophobicContact CG1-CG 4.23Å; D195-K264 WeakPolarHBondContact OD1-CE 3.29Å; D195-K264 IonicContact OD1-NZ 2.83Å; D195-K264 PolarHBondContact OD1-NZ 3.03Å; D195-K264 WeakPolarHBondContact OD2-CE 3.38Å; D195-K264 IonicContact OD2-NZ 3.16Å; D195-K264 PolarHBondContact OD2-NZ 3.38Å; R260-K264 WeakPolarHBondContact O-CG 3.46Å; R260-K264 PolarHBondContact O-N 2.89Å; T261-K264 PolarHBondContact O-N 3.28Å; K264-Y267 PolarHBondContact O-N 3.38Å; K264-K268 WeakPolarHBondContact O-CB 3.47Å; K264-K268 PolarHBondContact O-N 3.12Å; K264-L276 HydrophobicContact CB-CD1 4.29Å; K264-L276 HydrophobicContact CG-CD1 4.25Å; K264-L276 HydrophobicContact CG-CD2 4.37Å |
| 265 | N | 84.9 | Confident | 80.1 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 29% | 0.289 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.7 | -38.9 | 178.8 | -78.8 | 7.7 | 0 | 0 | 0 | 113.1 | W230 T261 V263 Q269 | W230-N265 WeakPolarHBondContact O-CB 3.16Å; T261-N265 WeakPolarHBondContact O-CB 3.21Å; T261-N265 PolarHBondContact O-N 3.26Å; V263-N265 PolarHBondContact O-N 3.11Å; N265-Q269 WeakPolarHBondContact O-CB 3.15Å; N265-Q269 PolarHBondContact O-N 3.06Å |
| 266 | C | 84.4 | Confident | 79.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -51.9 | 174.9 | -176 | 0 | 0 | 0 | 0 | 110.8 | M209 W230 I262 V263 K268 Q269 H270 | M209-C266 HydrophobicContact CE-CB 3.48Å; M209-C266 VanDerWaalsContact CE-CB 3.48Å; M209-C266 HydrophobicContact CG-CB 4.43Å; M209-C266 HydrophobicContact SD-CB 3.51Å; M209-C266 VanDerWaalsContact SD-CB 3.51Å; M209-C266 VanDerWaalsContact SD-SG 3.62Å; W230-C266 HydrophobicContact CD2-CB 4.11Å; W230-C266 HydrophobicContact CE3-CB 3.78Å; W230-C266 HydrophobicContact CH2-CB 3.71Å; W230-C266 HydrophobicContact CZ2-CB 4.01Å; W230-C266 HydrophobicContact CZ3-CB 3.59Å; I262-C266 PolarHBondContact O-N 3.41Å; I262-C266 VanDerWaalsContact O-N 3.11Å; V263-C266 WeakPolarHBondContact O-CB 3.34Å; V263-C266 PolarHBondContact O-N 3.33Å; C266-K268 VanDerWaalsContact C-N 3.33Å; C266-K268 PolarHBondContact O-N 3.21Å; C266-Q269 PolarHBondContact O-N 3.31Å; C266-Q269 VanDerWaalsContact O-N 3.11Å; C266-H270 PolarHBondContact O-N 3.34Å; C266-H270 PolarHBondContact O-ND1 3.29Å |
| 267 | Y | 79.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.9 | -39.2 | -179.1 | -86.9 | -106.9 | 0 | 0 | 0 | 112.9 | L182 P183 L185 F205 M209 V263 K264 Q269 H270 G271 R272 L275 L276 | L182-Y267 HydrophobicContact CB-CE1 4.42Å; L182-Y267 HydrophobicContact CD1-CD1 4.08Å; L182-Y267 HydrophobicContact CD1-CD2 3.91Å; L182-Y267 HydrophobicContact CD1-CE1 4.33Å; L182-Y267 HydrophobicContact CD1-CE2 4.16Å; L182-Y267 HydrophobicContact CD1-CG 3.87Å; P183-Y267 PolarHBondContact O-OH 3.28Å; L185-Y267 HydrophobicContact CD1-CE1 4.16Å; L185-Y267 HydrophobicContact CD2-CE1 4.44Å; L185-Y267 HydrophobicContact CD2-CE2 4.11Å; L185-Y267 WeakPolarHBondContact CD2-OH 3.33Å; L185-Y267 HydrophobicContact CG-CE1 4.04Å; L185-Y267 WeakPolarHBondContact CG-OH 3.46Å; F205-Y267 HydrophobicContact CE1-CE2 4.11Å; F205-Y267 HydrophobicContact CZ-CE2 4.18Å; F205-Y267 WeakPolarHBondContact CZ-OH 3.32Å; M209-Y267 HydrophobicContact CG-CE2 4.26Å; M209-Y267 HydrophobicContact SD-CD2 4.09Å; M209-Y267 HydrophobicContact SD-CE2 3.9Å; V263-Y267 HydrophobicContact CG1-CD2 3.94Å; V263-Y267 HydrophobicContact CG1-CE2 3.94Å; V263-Y267 VanDerWaalsContact O-CD2 3.28Å; V263-Y267 WeakPolarHBondContact O-CD2 3.33Å; V263-Y267 PolarHBondContact O-N 2.95Å; V263-Y267 VanDerWaalsContact O-N 3.12Å; K264-Y267 PolarHBondContact O-N 3.38Å; Y267-Q269 VanDerWaalsContact C-N 3.33Å; Y267-Q269 PolarHBondContact O-N 3.41Å; Y267-H270 PolarHBondContact O-N 3.38Å; Y267-G271 PolarHBondContact O-N 2.87Å; Y267-R272 HydrophobicContact CD1-CB 4.18Å; Y267-R272 WeakPolarHBondContact CD1-O 3.47Å; Y267-R272 PolarHBondContact O-N 3.39Å; Y267-L275 HydrophobicContact CD1-CB 4.2Å; Y267-L275 HydrophobicContact CD1-CD1 4.47Å; Y267-L275 HydrophobicContact CE1-CB 4Å; Y267-L275 HydrophobicContact CE1-CD1 3.83Å; Y267-L276 HydrophobicContact CD1-CD2 4.24Å; Y267-L276 HydrophobicContact CD1-CG 4.29Å; Y267-L276 HydrophobicContact CG-CD2 4.01Å; Y267-L276 HydrophobicContact CG-CG 4.23Å |
| 268 | K | 81.7 | Confident | 75.9 | Confident | 126 Ų | 126 | 47.5 Ų | 47.5 | 55% | 0.548 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.6 | -43.6 | 171.5 | 178.4 | 164.9 | -167.5 | 172 | 0 | 113.1 | K264 C266 H270 G271 E273 | K264-K268 WeakPolarHBondContact O-CB 3.47Å; K264-K268 PolarHBondContact O-N 3.12Å; C266-K268 VanDerWaalsContact C-N 3.33Å; C266-K268 PolarHBondContact O-N 3.21Å; K268-H270 VanDerWaalsContact C-N 3.29Å; K268-H270 PolarHBondContact O-N 3.39Å; K268-G271 PolarHBondContact O-N 3Å; K268-E273 HydrophobicContact CB-CG 3.98Å; K268-E273 WeakPolarHBondContact CB-OE1 3.37Å; K268-E273 VanDerWaalsContact CD-OE1 3.24Å; K268-E273 WeakPolarHBondContact CD-OE1 3.32Å; K268-E273 HydrophobicContact CG-CG 4.29Å; K268-E273 WeakPolarHBondContact CG-OE1 3.33Å |
| 269 | Q | 77.3 | Confident | 74.2 | Confident | 103 Ų | 103 | 50.5 Ų | 50.5 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.2 | -27.8 | -179.6 | -167.6 | -122.9 | 9.2 | 0 | 0 | 113.1 | W230 N265 C266 Y267 G271 | W230-Q269 HydrophobicContact CB-CB 3.87Å; W230-Q269 HydrophobicContact CB-CG 4Å; W230-Q269 HydrophobicContact CG-CB 4.14Å; W230-Q269 HydrophobicContact CG-CG 4.26Å; N265-Q269 WeakPolarHBondContact O-CB 3.15Å; N265-Q269 PolarHBondContact O-N 3.06Å; C266-Q269 PolarHBondContact O-N 3.31Å; C266-Q269 VanDerWaalsContact O-N 3.11Å; Y267-Q269 VanDerWaalsContact C-N 3.33Å; Y267-Q269 PolarHBondContact O-N 3.41Å; Q269-G271 VanDerWaalsContact C-N 3.3Å |
| 270 | H | 72.8 | Confident | 72.2 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 4.7 | 177.4 | -62.3 | 66 | 0 | 0 | 0 | 112.5 | L182 S213 C266 Y267 K268 R272 | L182-H270 HydrophobicContact CD1-CB 3.54Å; L182-H270 HydrophobicContact CG-CB 3.98Å; S213-H270 WeakPolarHBondContact CB-NE2 3.42Å; S213-H270 PolarHBondContact OG-CE1 2.98Å; S213-H270 PolarHBondContact OG-NE2 3.18Å; C266-H270 PolarHBondContact O-N 3.34Å; C266-H270 PolarHBondContact O-ND1 3.29Å; Y267-H270 PolarHBondContact O-N 3.38Å; K268-H270 VanDerWaalsContact C-N 3.29Å; K268-H270 PolarHBondContact O-N 3.39Å; H270-R272 PolarHBondContact O-N 2.99Å |
| 271 | G | 67.3 | Low | 69.9 | Low | 58 Ų | 58 | 58.2 Ų | 58.2 | 60% | 0.598 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 18.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y267 K268 Q269 | Y267-G271 PolarHBondContact O-N 2.87Å; K268-G271 PolarHBondContact O-N 3Å; Q269-G271 VanDerWaalsContact C-N 3.3Å |
| 272 | R | 68.2 | Low | 67.8 | Low | 75 Ų | 75 | 62.9 Ų | 62.9 | 28% | 0.283 | 32% | 0.316 | S | S | . | . | trans | -102.9 | 37.9 | 178.4 | -67.8 | -65.1 | -64.1 | -102 | 6.3 | 112.1 | Y267 H270 D274 L275 | Y267-R272 HydrophobicContact CD1-CB 4.18Å; Y267-R272 WeakPolarHBondContact CD1-O 3.47Å; Y267-R272 PolarHBondContact O-N 3.39Å; H270-R272 PolarHBondContact O-N 2.99Å; R272-D274 WeakPolarHBondContact CA-OD1 3.41Å; R272-D274 IonicContact NE-OD1 2.77Å; R272-D274 PolarHBondContact NE-OD1 3.12Å; R272-D274 IonicContact NE-OD2 3.83Å; R272-D274 PolarHBondContact O-N 3.24Å; R272-L275 HydrophobicContact CB-CD1 4.35Å; R272-L275 VanDerWaalsContact NH2-CD1 3.32Å; R272-L275 PolarHBondContact O-N 3.36Å | ||
| 273 | E | 68.3 | Low | 65.7 | Low | 78 Ų | 78 | 68.4 Ų | 68.4 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.5 | 174.4 | -62.2 | -177.1 | 112.8 | 0 | 0 | 111.5 | K268 L275 L276 Y277 | K268-E273 HydrophobicContact CB-CG 3.98Å; K268-E273 WeakPolarHBondContact CB-OE1 3.37Å; K268-E273 VanDerWaalsContact CD-OE1 3.24Å; K268-E273 WeakPolarHBondContact CD-OE1 3.32Å; K268-E273 HydrophobicContact CG-CG 4.29Å; K268-E273 WeakPolarHBondContact CG-OE1 3.33Å; E273-L275 VanDerWaalsContact C-N 3.25Å; E273-L275 PolarHBondContact O-N 2.92Å; E273-L276 WeakPolarHBondContact O-CB 3.35Å; E273-L276 PolarHBondContact O-N 2.65Å; E273-Y277 WeakPolarHBondContact O-CD2 3.41Å; E273-Y277 PolarHBondContact O-N 3.5Å |
| 274 | D | 62.8 | Low | 63.5 | Low | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -51.9 | -41.8 | 171.8 | 66.7 | -37.1 | 0 | 0 | 0 | 112.3 | R272 L276 Y277 A278 | R272-D274 WeakPolarHBondContact CA-OD1 3.41Å; R272-D274 IonicContact NE-OD1 2.77Å; R272-D274 PolarHBondContact NE-OD1 3.12Å; R272-D274 IonicContact NE-OD2 3.83Å; R272-D274 PolarHBondContact O-N 3.24Å; D274-L276 VanDerWaalsContact C-N 3.3Å; D274-L276 PolarHBondContact O-N 3.06Å; D274-Y277 PolarHBondContact O-N 3.15Å; D274-A278 WeakPolarHBondContact O-CB 3.02Å; D274-A278 PolarHBondContact O-N 2.97Å |
| 275 | L | 64.9 | Low | 61.1 | Low | 33 Ų | 33 | 73.3 Ų | 73.3 | 17% | 0.173 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.6 | -24.1 | 178.4 | -69.5 | -178.4 | 0 | 0 | 0 | 113.7 | L185 Y267 R272 E273 | L185-L275 HydrophobicContact CD1-CB 4.46Å; L185-L275 WeakPolarHBondContact CD1-O 3.31Å; Y267-L275 HydrophobicContact CD1-CB 4.2Å; Y267-L275 HydrophobicContact CD1-CD1 4.47Å; Y267-L275 HydrophobicContact CE1-CB 4Å; Y267-L275 HydrophobicContact CE1-CD1 3.83Å; R272-L275 HydrophobicContact CB-CD1 4.35Å; R272-L275 VanDerWaalsContact NH2-CD1 3.32Å; R272-L275 PolarHBondContact O-N 3.36Å; E273-L275 VanDerWaalsContact C-N 3.25Å; E273-L275 PolarHBondContact O-N 2.92Å |
| 276 | L | 65.9 | Low | 58.9 | Low | 14 Ų | 14 | 76.7 Ų | 76.7 | 7% | 0.073 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -74.5 | -37.5 | 177.3 | -62.9 | 174 | 0 | 0 | 0 | 111.2 | L185 V194 K264 Y267 E273 D274 | L185-L276 HydrophobicContact CD1-CD2 4.11Å; V194-L276 HydrophobicContact CB-CD2 4.31Å; V194-L276 HydrophobicContact CG2-CD2 3.45Å; V194-L276 VanDerWaalsContact CG2-CD2 3.45Å; K264-L276 HydrophobicContact CB-CD1 4.29Å; K264-L276 HydrophobicContact CG-CD1 4.25Å; K264-L276 HydrophobicContact CG-CD2 4.37Å; Y267-L276 HydrophobicContact CD1-CD2 4.24Å; Y267-L276 HydrophobicContact CD1-CG 4.29Å; Y267-L276 HydrophobicContact CG-CD2 4.01Å; Y267-L276 HydrophobicContact CG-CG 4.23Å; E273-L276 WeakPolarHBondContact O-CB 3.35Å; E273-L276 PolarHBondContact O-N 2.65Å; D274-L276 VanDerWaalsContact C-N 3.3Å; D274-L276 PolarHBondContact O-N 3.06Å |
| 277 | Y | 55.6 | Low | 56.7 | Low | 135 Ų | 135 | 80.6 Ų | 80.6 | 53% | 0.529 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -102.9 | -18.4 | -172.4 | -70.1 | -74.1 | 0 | 0 | 0 | 115 | E273 D274 F279 E280 D281 | E273-Y277 WeakPolarHBondContact O-CD2 3.41Å; E273-Y277 PolarHBondContact O-N 3.5Å; D274-Y277 PolarHBondContact O-N 3.15Å; Y277-F279 PolarHBondContact O-N 2.86Å; Y277-E280 WeakPolarHBondContact CD1-OE2 3.17Å; Y277-E280 PolarHBondContact O-N 3.45Å; Y277-D281 PolarHBondContact O-N 3.3Å; Y277-D281 VanDerWaalsContact O-N 3.15Å |
| 278 | A | 50.5 | Low | 54.5 | Low | 53 Ų | 53 | 84 Ų | 84 | 44% | 0.438 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -56.2 | -24 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D274 | D274-A278 WeakPolarHBondContact O-CB 3.02Å; D274-A278 PolarHBondContact O-N 2.97Å |
| 279 | F | 49.5 | Very low | 52.3 | Low | 64 Ų | 64 | 82.7 Ų | 82.7 | 28% | 0.281 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -96.1 | -16.1 | 178.4 | -63.3 | -73.4 | 0 | 0 | 0 | 114.5 | P191 Y277 | P191-F279 HydrophobicContact CB-CD1 4.19Å; P191-F279 HydrophobicContact CB-CE1 3.39Å; P191-F279 HydrophobicContact CB-CE2 3.9Å; P191-F279 HydrophobicContact CB-CZ 3.22Å; P191-F279 HydrophobicContact CG-CE1 3.72Å; P191-F279 HydrophobicContact CG-CZ 4Å; Y277-F279 PolarHBondContact O-N 2.86Å |
| 280 | E | 47.2 | Very low | 50.5 | Low | 84 Ų | 84 | 82.1 Ų | 82.1 | 39% | 0.393 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76 | -43.3 | 168.1 | -94.9 | -179.9 | 161.3 | 0 | 0 | 109.8 | Y277 Q282 Q283 V284 | Y277-E280 WeakPolarHBondContact CD1-OE2 3.17Å; Y277-E280 PolarHBondContact O-N 3.45Å; E280-Q282 VanDerWaalsContact C-N 3.27Å; E280-Q282 PolarHBondContact O-N 2.91Å; E280-Q283 CarbonylContact O-C 3.56Å; E280-Q283 WeakPolarHBondContact O-CA 3.22Å; E280-Q283 WeakPolarHBondContact O-CB 3.26Å; E280-Q283 PolarHBondContact O-N 3.33Å; E280-V284 WeakPolarHBondContact O-CG2 3.39Å; E280-V284 PolarHBondContact O-N 3.46Å |
| 281 | D | 40.5 | Very low | 48.8 | Very low | 110 Ų | 110 | 88.9 Ų | 88.9 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -30.1 | -177.5 | -119.9 | -0.8 | 0 | 0 | 0 | 112.9 | Y277 Q283 V284 T285 | Y277-D281 PolarHBondContact O-N 3.3Å; Y277-D281 VanDerWaalsContact O-N 3.15Å; D281-Q283 VanDerWaalsContact C-N 3.26Å; D281-Q283 PolarHBondContact O-N 2.95Å; D281-V284 PolarHBondContact O-N 3.01Å; D281-T285 PolarHBondContact O-N 3.01Å; D281-T285 PolarHBondContact O-OG1 2.77Å |
| 282 | Q | 43.3 | Very low | 47.2 | Very low | 143 Ų | 143 | 95 Ų | 95 | 67% | 0.668 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -71.3 | -18.8 | 173.4 | -130.6 | 173.2 | 29 | 0 | 0 | 113.4 | E280 | E280-Q282 VanDerWaalsContact C-N 3.27Å; E280-Q282 PolarHBondContact O-N 2.91Å |
| 283 | Q | 43.8 | Very low | 45.5 | Very low | 116 Ų | 116 | 100 Ų | 100 | 54% | 0.542 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -91 | -24.8 | 168.3 | -88.3 | -172.3 | -26.8 | 0 | 0 | 112.8 | K196 E280 D281 T286 | K196-Q283 VanDerWaalsContact NZ-CD 3.29Å; K196-Q283 VanDerWaalsContact NZ-NE2 3.18Å; E280-Q283 CarbonylContact O-C 3.56Å; E280-Q283 WeakPolarHBondContact O-CA 3.22Å; E280-Q283 WeakPolarHBondContact O-CB 3.26Å; E280-Q283 PolarHBondContact O-N 3.33Å; D281-Q283 VanDerWaalsContact C-N 3.26Å; D281-Q283 PolarHBondContact O-N 2.95Å; Q283-T286 PolarHBondContact O-OG1 3.26Å |
| 284 | V | 40.3 | Very low | 43.6 | Very low | 74 Ų | 74 | 103.5 Ų | 103.5 | 45% | 0.448 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -86.2 | -26.2 | 179.8 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | E280 D281 T286 A287 S288 | E280-V284 WeakPolarHBondContact O-CG2 3.39Å; E280-V284 PolarHBondContact O-N 3.46Å; D281-V284 PolarHBondContact O-N 3.01Å; V284-T286 PolarHBondContact O-N 3.04Å; V284-A287 PolarHBondContact O-N 3.3Å; V284-S288 PolarHBondContact O-N 3.03Å; V284-S288 PolarHBondContact O-OG 3.39Å |
| 285 | T | 34.4 | Very low | 42 | Very low | 90 Ų | 90 | 105.6 Ų | 105.6 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -16.1 | 174.1 | 21.7 | 0 | 0 | 0 | 0 | 113.8 | D281 | D281-T285 PolarHBondContact O-N 3.01Å; D281-T285 PolarHBondContact O-OG1 2.77Å |
| 286 | T | 38.4 | Very low | 40.5 | Very low | 124 Ų | 124 | 109 Ų | 109 | 76% | 0.761 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -9 | 169.2 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | Q283 V284 | Q283-T286 PolarHBondContact O-OG1 3.26Å; V284-T286 PolarHBondContact O-N 3.04Å |
| 287 | A | 37.8 | Very low | 38.7 | Very low | 83 Ų | 83 | 112.4 Ų | 112.4 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | -11.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V284 | V284-A287 PolarHBondContact O-N 3.3Š|
| 288 | S | 33.8 | Very low | 37.6 | Very low | 71 Ų | 71 | 115 Ų | 115 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -111.8 | 5 | -170.7 | 51.6 | 0 | 0 | 0 | 0 | 115.8 | V284 | V284-S288 PolarHBondContact O-N 3.03Å; V284-S288 PolarHBondContact O-OG 3.39Å |
| 289 | A | 36.6 | Very low | 36.6 | Very low | 98 Ų | 98 | 117.5 Ų | 117.5 | 81% | 0.81 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -93.4 | 9.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 290 | A | 39.7 | Very low | 35.6 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 76% | 0.76 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -113.1 | 20.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 291 | Q | 35.5 | Very low | 34.6 | Very low | 184 Ų | 184 | 122.6 Ų | 122.6 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | -135.5 | 16.9 | -179.8 | -86.6 | -174.2 | -15.4 | 0 | 0 | 117 | ||||
| 292 | H | 34.7 | Very low | 34.3 | Very low | 185 Ų | 185 | 125.7 Ų | 125.7 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | trans | -103.8 | 59.8 | 173.3 | -87.2 | -78.7 | 0 | 0 | 0 | 113.3 | ||||
| 293 | H | 31.1 | Very low | 33.6 | Very low | 180 Ų | 180 | 126.8 Ų | 126.8 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | trans | -170 | 103.4 | 144.5 | -129.7 | -127.6 | 0 | 0 | 0 | 110.3 | ||||
| 294 | L | 28.8 | Very low | 33 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 173.7 | 123 | 135.3 | -89 | 153.4 | 0 | 0 | 0 | 110.2 | ||
| 295 | T | 29.1 | Very low | 32.7 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | 70.7 | 114.5 | 150.9 | 51 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 296 | A | 33 | Very low | 32.7 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -65.4 | 128 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 297 | A | 29.2 | Very low | 32.6 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | trans | 169.7 | 128.4 | 137.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 298 | Q | 31.7 | Very low | 32.9 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | trans | 78.8 | 114.4 | 151.5 | -62.8 | 173.6 | -8.4 | 0 | 0 | 120.1 | ||||
| 299 | S | 29.3 | Very low | 33.3 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -48.6 | 140 | 157.2 | 42.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 300 | I | 29.1 | Very low | 33.5 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | trans | 172.9 | 128.1 | 130.9 | -84.6 | 152.1 | 0 | 0 | 0 | 110.6 | ||||
| 301 | A | 27.4 | Very low | 33.5 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 45.3 | 109.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 302 | H | 34.2 | Very low | 33.9 | Very low | 176 Ų | 176 | 128.7 Ų | 128.7 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | 17.7 | 109.3 | 126.2 | -160.3 | -120.7 | 0 | 0 | 0 | 118.7 | |||||
| 303 | L | 28.5 | Very low | 34.5 | Very low | 165 Ų | 165 | 122.4 Ų | 122.4 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | trans | -171.5 | 137.1 | 141.7 | -98.8 | 141 | 0 | 0 | 0 | 111 | ||||
| 304 | V | 30.2 | Very low | 35 | Very low | 128 Ų | 128 | 119.9 Ų | 119.9 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -67.4 | 134.2 | -178.2 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 305 | P | 34.3 | Very low | 36.3 | Very low | 117 Ų | 117 | 115.2 Ų | 115.2 | 76% | 0.76 | 68% | 0.676 | S | S | * | * | trans | -88.5 | 113.1 | 166.6 | 4.8 | 13.9 | 0 | 0 | 0 | 110.2 | ||||
| 306 | S | 33.4 | Very low | 37 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 63% | 0.629 | 68% | 0.682 | S | S | * | * | trans | -74 | 124.2 | 159.7 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | T308 | S306-T308 PolarHBondContact O-N 3.44Š| ||
| 307 | Q | 36.7 | Very low | 37.4 | Very low | 170 Ų | 170 | 116.7 Ų | 116.7 | 79% | 0.794 | 67% | 0.672 | S | S | * | * | trans | -81.2 | 104.6 | 178.7 | -63.8 | -177.1 | -7.3 | 0 | 0 | 109.5 | ||||
| 308 | T | 44.2 | Very low | 37.9 | Very low | 82 Ų | 82 | 115.9 Ų | 115.9 | 50% | 0.503 | 67% | 0.673 | S | S | . | * | trans | -95.3 | 117.3 | 164.1 | 54.6 | 0 | 0 | 0 | 0 | 108.9 | S306 | S306-T308 PolarHBondContact O-N 3.44Š| ||
| 309 | V | 42.1 | Very low | 38.6 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.5 | 119.5 | 173 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | V325 | V309-V325 PolarHBondContact O-N 3.19Å |
| 310 | V | 41.5 | Very low | 39 | Very low | 72 Ų | 72 | 109.5 Ų | 109.5 | 44% | 0.436 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 116.8 | 172.2 | -174.8 | 0 | 0 | 0 | 0 | 107.4 | L322 I323 Q324 | V310-L322 HydrophobicContact CG1-CD2 3.92Å; V310-I323 WeakPolarHBondContact CA-O 3.4Å; V310-Q324 HydrophobicContact CG2-CG 4.36Å |
| 311 | Q | 40.3 | Very low | 39.6 | Very low | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.584 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.7 | 117.6 | 176.7 | -168.7 | 174.7 | -14.1 | 0 | 0 | 109.1 | V313 I323 | Q311-V313 HydrophobicContact CG-CG2 4.47Å; Q311-I323 PolarHBondContact N-O 3.48Å; Q311-I323 PolarHBondContact O-N 3.49Å |
| 312 | T | 43.5 | Very low | 40.1 | Very low | 92 Ų | 92 | 105.8 Ų | 105.8 | 56% | 0.564 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.7 | 123.9 | 174.2 | 50.4 | 0 | 0 | 0 | 0 | 109.6 | L322 | T312-L322 HydrophobicContact CG2-CD2 3.71Å; T312-L322 HydrophobicContact CG2-CG 4.11Å |
| 313 | V | 46.8 | Very low | 40.6 | Very low | 53 Ų | 53 | 101.4 Ų | 101.4 | 32% | 0.321 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.6 | 120.9 | 176.3 | -174 | 0 | 0 | 0 | 0 | 108.5 | Q311 S321 I323 | Q311-V313 HydrophobicContact CG-CG2 4.47Å; V313-S321 PolarHBondContact N-O 3.22Å; V313-S321 PolarHBondContact O-N 3.5Å; V313-I323 HydrophobicContact CG2-CD1 4.18Å |
| 314 | N | 42.4 | Very low | 41.3 | Very low | 127 Ų | 127 | 100.5 Ų | 100.5 | 68% | 0.679 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.6 | 171.2 | -96.7 | 12.4 | 0 | 0 | 0 | 109.2 | V320 | N314-V320 VanDerWaalsContact OD1-CG2 3.3Å; N314-V320 WeakPolarHBondContact OD1-CG2 3.41Å |
| 315 | N | 55.4 | Low | 41.7 | Very low | 54 Ų | 54 | 99.1 Ų | 99.1 | 29% | 0.289 | 58% | 0.58 | S | S | . | * | trans | -82.2 | 151.7 | 175.3 | -60.7 | -41.9 | 0 | 0 | 0 | 110 | D317 G318 T319 S321 | N315-D317 WeakPolarHBondContact CB-OD1 3.17Å; N315-D317 PolarHBondContact O-N 3Å; N315-G318 PolarHBondContact O-N 3.44Å; N315-G318 VanDerWaalsContact O-N 3.13Å; N315-T319 PolarHBondContact N-O 2.97Å; N315-T319 PolarHBondContact ND2-OG1 3.46Å; N315-S321 PolarHBondContact ND2-OG 3.1Å | ||
| 316 | P | 43 | Very low | 41.8 | Very low | 146 Ų | 146 | 96.2 Ų | 96.2 | 95% | 0.948 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -5 | 179.1 | 25 | -32.5 | 0 | 0 | 0 | 114.4 | ||
| 317 | D | 41.3 | Very low | 42 | Very low | 120 Ų | 120 | 97.8 Ų | 97.8 | 64% | 0.642 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 4 | 174.2 | 66.6 | 2.8 | 0 | 0 | 0 | 114 | N315 T319 | N315-D317 WeakPolarHBondContact CB-OD1 3.17Å; N315-D317 PolarHBondContact O-N 3Å; D317-T319 PolarHBondContact OD1-N 3.45Å; D317-T319 VanDerWaalsContact OD1-N 3.17Å; D317-T319 PolarHBondContact OD1-OG1 2.73Å |
| 318 | G | 40.5 | Very low | 42.1 | Very low | 71 Ų | 71 | 92.7 Ų | 92.7 | 73% | 0.732 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 87.1 | 5.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N315 | N315-G318 PolarHBondContact O-N 3.44Å; N315-G318 VanDerWaalsContact O-N 3.13Å |
| 319 | T | 46.8 | Very low | 41.4 | Very low | 73 Ų | 73 | 97.4 Ų | 97.4 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | trans | -94.1 | 151.7 | 173.8 | 63.8 | 0 | 0 | 0 | 0 | 112.2 | N315 D317 | N315-T319 PolarHBondContact N-O 2.97Å; N315-T319 PolarHBondContact ND2-OG1 3.46Å; D317-T319 PolarHBondContact OD1-N 3.45Å; D317-T319 VanDerWaalsContact OD1-N 3.17Å; D317-T319 PolarHBondContact OD1-OG1 2.73Å | ||
| 320 | V | 38.3 | Very low | 41 | Very low | 87 Ų | 87 | 98.7 Ų | 98.7 | 53% | 0.527 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 122 | -179.5 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | N314 | N314-V320 VanDerWaalsContact OD1-CG2 3.3Å; N314-V320 WeakPolarHBondContact OD1-CG2 3.41Å |
| 321 | S | 40 | Very low | 40.3 | Very low | 52 Ų | 52 | 102.1 Ų | 102.1 | 36% | 0.364 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 125.4 | 174.3 | -65.4 | 0 | 0 | 0 | 0 | 110.5 | V313 N315 | V313-S321 PolarHBondContact N-O 3.22Å; V313-S321 PolarHBondContact O-N 3.5Å; N315-S321 PolarHBondContact ND2-OG 3.1Å |
| 322 | L | 38.9 | Very low | 40 | Very low | 125 Ų | 125 | 100.1 Ų | 100.1 | 65% | 0.654 | 62% | 0.62 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.1 | 173.8 | -72.7 | 121.1 | 0 | 0 | 0 | 110.2 | V310 T312 | V310-L322 HydrophobicContact CG1-CD2 3.92Å; T312-L322 HydrophobicContact CG2-CD2 3.71Å; T312-L322 HydrophobicContact CG2-CG 4.11Å |
| 323 | I | 44.8 | Very low | 39.2 | Very low | 84 Ų | 84 | 102.7 Ų | 102.7 | 43% | 0.431 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 115.5 | 177 | -55.2 | 172.8 | 0 | 0 | 0 | 108.1 | V310 Q311 V313 V325 | V310-I323 WeakPolarHBondContact CA-O 3.4Å; Q311-I323 PolarHBondContact N-O 3.48Å; Q311-I323 PolarHBondContact O-N 3.49Å; V313-I323 HydrophobicContact CG2-CD1 4.18Å; I323-V325 HydrophobicContact CG2-CG2 4.09Å |
| 324 | Q | 42 | Very low | 38.1 | Very low | 145 Ų | 145 | 108 Ų | 108 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107 | 118.1 | 175.7 | -174.6 | 173.5 | -5.8 | 0 | 0 | 109.2 | V310 | V310-Q324 HydrophobicContact CG2-CG 4.36Å |
| 325 | V | 40.4 | Very low | 37.4 | Very low | 99 Ų | 99 | 106.3 Ų | 106.3 | 60% | 0.6 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 114.3 | 178.3 | -168.1 | 0 | 0 | 0 | 0 | 108.3 | V309 I323 | V309-V325 PolarHBondContact O-N 3.19Å; I323-V325 HydrophobicContact CG2-CG2 4.09Å |
| 326 | G | 36.5 | Very low | 35.8 | Very low | 57 Ų | 57 | 111.4 Ų | 111.4 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | trans | -112.7 | 126.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G328 | G326-G328 PolarHBondContact O-N 3.47Š| ||
| 327 | T | 37.6 | Very low | 35 | Very low | 123 Ų | 123 | 109.2 Ų | 109.2 | 76% | 0.755 | 69% | 0.687 | S | S | * | * | trans | -77.9 | 105.1 | 166.7 | 44 | 0 | 0 | 0 | 0 | 108.2 | H329 | T327-H329 PolarHBondContact O-N 3.29Š| ||
| 328 | G | 37.3 | Very low | 34.5 | Very low | 63 Ų | 63 | 108.5 Ų | 108.5 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | trans | -67.3 | 122.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G326 | G326-G328 PolarHBondContact O-N 3.47Š| ||
| 329 | H | 30.6 | Very low | 33.9 | Very low | 180 Ų | 180 | 113.1 Ų | 113.1 | 83% | 0.833 | 69% | 0.694 | S | S | * | * | trans | -150.7 | 115 | 153.7 | -92.2 | -95.7 | 0 | 0 | 0 | 110.5 | T327 | T327-H329 PolarHBondContact O-N 3.29Š| ||
| 330 | T | 32.3 | Very low | 33 | Very low | 124 Ų | 124 | 117.8 Ų | 117.8 | 76% | 0.761 | 72% | 0.715 | S | S | * | * | trans | 60 | 121.4 | 149.2 | 48.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 331 | V | 26.8 | Very low | 32.7 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | 88.7 | 134.6 | 133.6 | -177.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 332 | A | 34.3 | Very low | 32.2 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | trans | -72.1 | 154.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 333 | T | 27.6 | Very low | 31.7 | Very low | 145 Ų | 145 | 121 Ų | 121 | 89% | 0.89 | 76% | 0.755 | S | S | * | * | trans | -159.4 | 153.4 | 140.9 | 23.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 334 | L | 24.5 | Very low | 31 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -70.2 | 152.7 | -162.1 | -83.9 | 93.5 | 0 | 0 | 0 | 118.6 | ||||
| 335 | A | 25.9 | Very low | 30.4 | Very low | 91 Ų | 91 | 122.7 Ų | 122.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | 76.3 | 134.6 | 126.7 | 0 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 336 | D | 23.2 | Very low | 29.7 | Very low | 161 Ų | 161 | 122.6 Ų | 122.6 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | 84 | 102.9 | 139.3 | -152.4 | 28.4 | 0 | 0 | 0 | 120.2 | ||||
| 337 | A | 26 | Very low | 29.3 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -172 | 130.9 | 130.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 338 | S | 29.9 | Very low | 28.7 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -88.2 | 164 | -178.2 | -172.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 339 | E | 29.2 | Very low | 28.1 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 90.3 | 97.2 | 157.2 | -50.3 | -168.4 | 169.9 | 0 | 0 | 120.3 | ||||
| 340 | L | 27.9 | Very low | 27.8 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | 165.8 | 152.3 | 119.6 | -89.3 | 153.4 | 0 | 0 | 0 | 111.5 | |||||
| 341 | P | 30.2 | Very low | 27.6 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -93.3 | 141.8 | -156.2 | 35.3 | -34 | 0 | 0 | 0 | 114.1 | ||||
| 342 | G | 31.3 | Very low | 27.6 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | 108.6 | 61.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 343 | V | 27.5 | Very low | 27.3 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -136.5 | 111.2 | 162.9 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | V345 | V343-V345 HydrophobicContact CG1-CG2 4.08Š| ||
| 344 | T | 29.4 | Very low | 27.3 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -89.3 | 108.5 | 168.8 | 42.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 345 | V | 29.8 | Very low | 27.5 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -87 | 112.3 | 171.1 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | V343 Q347 | V343-V345 HydrophobicContact CG1-CG2 4.08Å; V345-Q347 PolarHBondContact O-N 3.43Å | ||
| 346 | A | 26.5 | Very low | 27.6 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -83.6 | 98.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | V348 | A346-V348 PolarHBondContact O-N 3.02Š| ||
| 347 | Q | 26.8 | Very low | 27.8 | Very low | 159 Ų | 159 | 132 Ų | 132 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -83.4 | 109.9 | 173.5 | -172.6 | 178.7 | -36.3 | 0 | 0 | 109.2 | V345 N349 | V345-Q347 PolarHBondContact O-N 3.43Å; Q347-N349 PolarHBondContact O-N 3.22Å | ||
| 348 | V | 25.1 | Very low | 27.9 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -86.2 | 95.4 | 172.9 | -150.4 | 0 | 0 | 0 | 0 | 107.9 | A346 | A346-V348 PolarHBondContact O-N 3.02Š| ||
| 349 | N | 26.2 | Very low | 27.7 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 55% | 0.551 | 80% | 0.799 | S | S | * | * | trans | -93.6 | 120.1 | 177.6 | -170.3 | 27.9 | 0 | 0 | 0 | 109.6 | Q347 S351 | Q347-N349 PolarHBondContact O-N 3.22Å; N349-S351 VanDerWaalsContact C-N 3.32Å; N349-S351 PolarHBondContact ND2-OG 3.25Å; N349-S351 VanDerWaalsContact ND2-OG 3.1Å; N349-S351 PolarHBondContact O-N 2.83Å | ||
| 350 | Y | 23.4 | Very low | 27.5 | Very low | 210 Ų | 210 | 136.3 Ų | 136.3 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -76.8 | 88.9 | 168.2 | 57.9 | -85.7 | 0 | 0 | 0 | 108.5 | ||||
| 351 | S | 27.4 | Very low | 27.7 | Very low | 76 Ų | 76 | 133.9 Ų | 133.9 | 53% | 0.531 | 79% | 0.794 | S | S | . | * | trans | -84.4 | 115.5 | 173.5 | -50.5 | 0 | 0 | 0 | 0 | 108.2 | N349 V353 | N349-S351 VanDerWaalsContact C-N 3.32Å; N349-S351 PolarHBondContact ND2-OG 3.25Å; N349-S351 VanDerWaalsContact ND2-OG 3.1Å; N349-S351 PolarHBondContact O-N 2.83Å; S351-V353 PolarHBondContact O-N 2.9Å | ||
| 352 | T | 27.2 | Very low | 27.5 | Very low | 134 Ų | 134 | 135.6 Ų | 135.6 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -66.3 | 107.9 | 166.5 | 48.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 353 | V | 27.6 | Very low | 27.2 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -83.1 | 119 | 178.2 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | S351 | S351-V353 PolarHBondContact O-N 2.9Š| ||
| 354 | T | 28.3 | Very low | 27.2 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -76.5 | 143 | 158.4 | 46.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 355 | D | 27.7 | Very low | 27 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 94% | 0.941 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -42.7 | 135.4 | 180 | -87.4 | -37.4 | 0 | 0 | 0 | 115.4 | ||
| 356 | G | 28.4 | Very low | 26.7 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 150.7 | 85.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 357 | E | 28.8 | Very low | 26.6 | Very low | 198 Ų | 198 | 143 Ų | 143 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | 30.7 | 110.5 | 154.2 | -60.4 | -178.7 | 147.6 | 0 | 0 | 120.7 | ||||
| 358 | S | 26.4 | Very low | 26.5 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | -176.2 | 110.8 | 120.3 | -162.3 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 359 | W | 25.7 | Very low | 26.4 | Very low | 246 Ų | 246 | 142.7 Ų | 142.7 | 93% | 0.932 | 82% | 0.815 | S | S | * | * | trans | -102 | 115.9 | 166.1 | -73.9 | 96.1 | 0 | 0 | 0 | 108.5 | ||||
| 360 | A | 26.2 | Very low | 26.3 | Very low | 101 Ų | 101 | 147 Ų | 147 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -97.2 | 107.5 | 157.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 361 | T | 31.4 | Very low | 26.5 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 74% | 0.736 | 83% | 0.827 | S | S | * | * | trans | -113.9 | 122.6 | 166.1 | -31.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 362 | L | 26.2 | Very low | 26.3 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 84% | 0.838 | 84% | 0.843 | S | S | * | * | trans | -87 | 116.2 | 167.3 | -81.2 | 171.9 | 0 | 0 | 0 | 110.1 | ||||
| 363 | Q | 25.7 | Very low | 26.3 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | trans | 72 | 107 | 146.1 | -84.7 | 172.2 | -39.9 | 0 | 0 | 120.9 | ||||
| 364 | G | 26 | Very low | 26.3 | Very low | 86 Ų | 86 | 147 Ų | 147 | 89% | 0.887 | 85% | 0.85 | S | S | * | * | 136.3 | 96.9 | 122 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 365 | G | 26.1 | Very low | 26.2 | Very low | 80 Ų | 80 | 146.2 Ų | 146.2 | 83% | 0.825 | 85% | 0.849 | S | S | * | * | trans | 137.8 | 101.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 366 | E | 24.6 | Very low | 26.3 | Very low | 198 Ų | 198 | 146.6 Ų | 146.6 | 93% | 0.925 | 85% | 0.845 | S | S | * | * | trans | -53.5 | 134.6 | 175.5 | 179.6 | -177.2 | 178.9 | 0 | 0 | 114.9 | ||||
| 367 | M | 23.4 | Very low | 26.3 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 86% | 0.862 | 85% | 0.852 | S | S | * | * | -171.3 | 141.5 | 128.9 | -154.4 | 155 | 66.6 | 0 | 0 | 112.1 | |||||
| 368 | T | 24.1 | Very low | 26.3 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 82% | 0.822 | 85% | 0.845 | S | S | * | * | trans | -63.2 | 142.2 | -173.6 | 38.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 369 | I | 24.4 | Very low | 26.3 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 84% | 0.841 | 85% | 0.846 | S | S | * | * | trans | -104.6 | 121.2 | 167.5 | -60.1 | 176.4 | 0 | 0 | 0 | 109.6 | ||||
| 370 | Q | 24 | Very low | 26.4 | Very low | 193 Ų | 193 | 140.5 Ų | 140.5 | 90% | 0.902 | 84% | 0.837 | S | S | * | * | trans | -98.6 | 122.4 | 165.7 | -167.2 | 168.2 | -1.7 | 0 | 0 | 108.4 | ||||
| 371 | T | 26.1 | Very low | 26.5 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 73% | 0.73 | 84% | 0.84 | S | S | * | * | trans | -83.5 | 142.5 | -177.7 | -149.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 372 | T | 24.7 | Very low | 26.3 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 87% | 0.865 | 84% | 0.839 | S | S | * | * | trans | -143.8 | 126.8 | 154.7 | 27.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 373 | Q | 26.7 | Very low | 26.6 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 88% | 0.879 | 83% | 0.834 | S | S | * | * | trans | -61.5 | 144.5 | 175.2 | -72.6 | 169.3 | -15.5 | 0 | 0 | 112.3 | ||||
| 374 | A | 27.5 | Very low | 26.9 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | trans | -109.9 | 110.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 375 | S | 26.4 | Very low | 27 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | trans | -91.4 | 156.9 | 171.3 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 376 | E | 30.1 | Very low | 27.4 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 83% | 0.831 | S | S | * | * | trans | -42.7 | 147.1 | -179.9 | -56.3 | 169 | 147.9 | 0 | 0 | 117.6 | ||||
| 377 | A | 27.5 | Very low | 27.6 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 88% | 0.876 | 82% | 0.818 | S | S | * | * | trans | -158.2 | 118 | 143.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 378 | T | 28.8 | Very low | 27.9 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -90.8 | 139.8 | 167.4 | -62.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 379 | Q | 27.6 | Very low | 28.3 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | 144.5 | 133 | 135.7 | -81.5 | -177.1 | -0.3 | 0 | 0 | 116 | ||||
| 380 | A | 27.4 | Very low | 28.6 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 74% | 0.744 | 82% | 0.819 | S | S | * | * | trans | 70.6 | 112 | 140.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 381 | V | 27.9 | Very low | 28.9 | Very low | 148 Ų | 148 | 126.9 Ų | 126.9 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -137.8 | 98.4 | 135.3 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 382 | A | 27.9 | Very low | 29.4 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 72% | 0.719 | 82% | 0.821 | S | S | * | * | trans | -95.8 | 141.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 383 | S | 32.2 | Very low | 29.7 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | 56.4 | 103.5 | 151 | 174.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 384 | L | 31.2 | Very low | 29.6 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -127.7 | 74.2 | 159 | -149.1 | 82.1 | 0 | 0 | 0 | 110.4 | A387 | L384-A387 HydrophobicContact CD2-CB 4.38Å; L384-A387 HydrophobicContact CG-CB 4.4Å | ||
| 385 | A | 29.3 | Very low | 29.7 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | -106.4 | 16.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 386 | E | 32.9 | Very low | 29.6 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -139.7 | 54.7 | -170.6 | -155.3 | 171.7 | -165.3 | 0 | 0 | 111.8 | ||||
| 387 | A | 30 | Very low | 29.5 | Very low | 78 Ų | 78 | 132.6 Ų | 132.6 | 65% | 0.645 | 82% | 0.822 | S | S | * | * | trans | -142.1 | 33.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L384 | L384-A387 HydrophobicContact CD2-CB 4.38Å; L384-A387 HydrophobicContact CG-CB 4.4Å | ||
| 388 | A | 28.4 | Very low | 29.8 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -106.6 | 14.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 389 | V | 34.1 | Very low | 29.6 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -122.6 | -0.7 | -172.2 | 178.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 390 | A | 30.6 | Very low | 29.6 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -149.7 | 75.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 391 | A | 30 | Very low | 29.6 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -160.6 | 55.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 392 | S | 36.9 | Very low | 29.5 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -97.9 | 85.1 | 159.3 | -78.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 393 | Q | 30.5 | Very low | 29.4 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -177.8 | 136.9 | 147.8 | -105 | 149 | 7.3 | 0 | 0 | 112.7 | ||
| 394 | E | 25.4 | Very low | 29.1 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | 65.7 | 96.6 | 167.9 | -74.1 | -173.4 | 145.4 | 0 | 0 | 119.3 | Q396 | E394-Q396 PolarHBondContact O-N 3.12Š| ||
| 395 | I | 28.2 | Very low | 29.1 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 117 | 157 | -64.6 | 158.1 | 0 | 0 | 0 | 108.5 | ||
| 396 | Q | 25.6 | Very low | 29.5 | Very low | 184 Ų | 184 | 133.3 Ų | 133.3 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 128.4 | 156.1 | -78.6 | -171.7 | 0.8 | 0 | 0 | 109.4 | E394 | E394-Q396 PolarHBondContact O-N 3.12Š|
| 397 | P | 27.6 | Very low | 29.9 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -82.9 | 121.8 | 176.9 | 31.5 | -29.1 | 0 | 0 | 0 | 110.1 | ||
| 398 | G | 33.4 | Very low | 30.2 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 139.9 | 31.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 399 | A | 25.5 | Very low | 30.7 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 116.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 400 | T | 25.8 | Very low | 31.1 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 125.6 | 171 | 35.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 401 | V | 27.4 | Very low | 31.2 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 121.2 | 171.9 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | M403 | V401-M403 HydrophobicContact CG1-CG 4.37Š|
| 402 | T | 26.4 | Very low | 31.5 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 122.2 | 174.3 | -46.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 403 | M | 25.8 | Very low | 31.4 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | -107.5 | 116.4 | 172.8 | -66.6 | -176.8 | 69.8 | 0 | 0 | 109.5 | V401 | V401-M403 HydrophobicContact CG1-CG 4.37Š| ||
| 404 | A | 25.3 | Very low | 31.7 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | trans | -85.9 | 111.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 405 | L | 32.9 | Very low | 32.1 | Very low | 158 Ų | 158 | 117.9 Ų | 117.9 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | -87.2 | 117 | 173.4 | -69.7 | 167.3 | 0 | 0 | 0 | 108.7 | ||||
| 406 | N | 36.6 | Very low | 32.6 | Very low | 160 Ų | 160 | 115.6 Ų | 115.6 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | trans | -71 | 133.4 | 175.9 | -152.6 | 6.8 | 0 | 0 | 0 | 109.7 | E408 | N406-E408 PolarHBondContact O-N 3.05Š| ||
| 407 | S | 41.5 | Very low | 33 | Very low | 111 Ų | 111 | 112.2 Ų | 112.2 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 85.5 | -166.6 | 170.8 | 0 | 0 | 0 | 0 | 113 | ||
| 408 | E | 36.1 | Very low | 33.4 | Very low | 170 Ų | 170 | 110.4 Ų | 110.4 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.7 | -28 | 158.2 | -151.9 | 169.7 | 172.8 | 0 | 0 | 112.3 | N406 A410 | N406-E408 PolarHBondContact O-N 3.05Å; E408-A410 PolarHBondContact O-N 3.11Å |
| 409 | A | 39.7 | Very low | 33.7 | Very low | 78 Ų | 78 | 115 Ų | 115 | 65% | 0.645 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -73.4 | -21.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 410 | A | 41.1 | Very low | 34.1 | Very low | 69 Ų | 69 | 113.8 Ų | 113.8 | 57% | 0.57 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -70.6 | -32 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E408 H412 V414 | E408-A410 PolarHBondContact O-N 3.11Å; A410-H412 PolarHBondContact O-N 2.94Å; A410-V414 WeakPolarHBondContact O-CG2 3.39Å |
| 411 | A | 34.5 | Very low | 34.6 | Very low | 71 Ų | 71 | 114.9 Ų | 114.9 | 59% | 0.587 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -70.8 | -31 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 412 | H | 35 | Very low | 35 | Very low | 156 Ų | 156 | 116.9 Ų | 116.9 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -80.1 | -28.6 | 179.5 | -88.5 | 42.9 | 0 | 0 | 0 | 113.4 | A410 T416 | A410-H412 PolarHBondContact O-N 2.94Å; H412-T416 PolarHBondContact O-OG1 2.93Å |
| 413 | A | 35.3 | Very low | 35.5 | Very low | 52 Ų | 52 | 118.9 Ų | 118.9 | 43% | 0.43 | 71% | 0.714 | S | S | . | * | H | α-helix | trans | -71.3 | -35.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | T416 | A413-T416 PolarHBondContact O-N 3.07Å; A413-T416 PolarHBondContact O-OG1 3.21Å |
| 414 | V | 36.4 | Very low | 36 | Very low | 108 Ų | 108 | 116.2 Ų | 116.2 | 66% | 0.655 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -67.8 | -34.4 | -179.8 | 175 | 0 | 0 | 0 | 0 | 111.9 | A410 T416 L417 | A410-V414 WeakPolarHBondContact O-CG2 3.39Å; V414-T416 VanDerWaalsContact C-N 3.35Å; V414-T416 PolarHBondContact O-N 3.24Å; V414-L417 PolarHBondContact O-N 2.98Å |
| 415 | A | 33.2 | Very low | 36.5 | Very low | 72 Ų | 72 | 114.3 Ų | 114.3 | 60% | 0.595 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -68 | -32.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 416 | T | 39.3 | Very low | 36.8 | Very low | 114 Ų | 114 | 110 Ų | 110 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -80.5 | -18.7 | -179.9 | 25.6 | 0 | 0 | 0 | 0 | 114.9 | H412 A413 V414 | H412-T416 PolarHBondContact O-OG1 2.93Å; A413-T416 PolarHBondContact O-N 3.07Å; A413-T416 PolarHBondContact O-OG1 3.21Å; V414-T416 VanDerWaalsContact C-N 3.35Å; V414-T416 PolarHBondContact O-N 3.24Å |
| 417 | L | 34.3 | Very low | 36.7 | Very low | 113 Ų | 113 | 109 Ų | 109 | 59% | 0.592 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -94.4 | -13.8 | -179.1 | -105.8 | 135.1 | 0 | 0 | 0 | 113.8 | V414 E419 Y457 | V414-L417 PolarHBondContact O-N 2.98Å; L417-E419 PolarHBondContact O-N 2.96Å; L417-Y457 WeakPolarHBondContact CD2-OH 3.47Å |
| 418 | A | 35.9 | Very low | 36.4 | Very low | 89 Ų | 89 | 108.6 Ų | 108.6 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -4.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 419 | E | 39.8 | Very low | 36.5 | Very low | 175 Ų | 175 | 105.6 Ų | 105.6 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 23.3 | -173.9 | -144.1 | 177.2 | -169.9 | 0 | 0 | 113.9 | L417 T421 | L417-E419 PolarHBondContact O-N 2.96Å; E419-T421 PolarHBondContact O-N 3.43Å |
| 420 | A | 33.6 | Very low | 36.4 | Very low | 73 Ų | 73 | 108.5 Ų | 108.5 | 60% | 0.603 | 69% | 0.685 | S | S | * | * | trans | -85.7 | 101.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L422 | A420-L422 PolarHBondContact O-N 2.99Š| ||
| 421 | T | 36.1 | Very low | 36.2 | Very low | 129 Ų | 129 | 109.7 Ų | 109.7 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | -69.1 | 120 | 174.8 | 46.3 | 0 | 0 | 0 | 0 | 111.4 | E419 Q423 | E419-T421 PolarHBondContact O-N 3.43Å; T421-Q423 PolarHBondContact O-N 3.45Å | ||
| 422 | L | 35.3 | Very low | 36.4 | Very low | 171 Ų | 171 | 115.9 Ų | 115.9 | 90% | 0.895 | 71% | 0.712 | S | S | * | * | trans | -61.1 | 113.9 | 168 | -81.3 | 142.7 | 0 | 0 | 0 | 110.4 | A420 | A420-L422 PolarHBondContact O-N 2.99Š| ||
| 423 | Q | 36.9 | Very low | 36.4 | Very low | 171 Ų | 171 | 114.8 Ų | 114.8 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | trans | -91 | 134.1 | 155.6 | -71.5 | -168.7 | -2.3 | 0 | 0 | 108.1 | T421 G425 | T421-Q423 PolarHBondContact O-N 3.45Å; Q423-G425 PolarHBondContact O-N 3.39Å | ||
| 424 | G | 37.6 | Very low | 36.7 | Very low | 97 Ų | 97 | 117.1 Ų | 117.1 | 100% | 1 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -53.2 | 108 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 425 | G | 35.5 | Very low | 36.6 | Very low | 63 Ų | 63 | 116.5 Ų | 116.5 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 138.4 | 62.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q423 Q427 | Q423-G425 PolarHBondContact O-N 3.39Å; G425-Q427 VanDerWaalsContact C-N 3.27Å; G425-Q427 PolarHBondContact O-N 3.01Å |
| 426 | G | 39 | Very low | 36.9 | Very low | 67 Ų | 67 | 117.5 Ų | 117.5 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 45.3 | 14.9 | 150.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||
| 427 | Q | 34.1 | Very low | 36.8 | Very low | 140 Ų | 140 | 119.3 Ų | 119.3 | 65% | 0.654 | 76% | 0.76 | S | S | * | * | trans | -137.3 | 140.2 | -178.8 | -95 | 177.1 | -22.7 | 0 | 0 | 112.1 | G425 | G425-Q427 VanDerWaalsContact C-N 3.27Å; G425-Q427 PolarHBondContact O-N 3.01Å | ||
| 428 | I | 35.2 | Very low | 36.8 | Very low | 102 Ų | 102 | 117.7 Ų | 117.7 | 52% | 0.523 | 77% | 0.771 | S | S | . | * | trans | -103.2 | 124.6 | 172.7 | -59 | 175.3 | 0 | 0 | 0 | 107.9 | L430 Y457 | I428-L430 HydrophobicContact CG2-CD1 4.39Å; I428-Y457 HydrophobicContact CD1-CE2 4.16Å | ||
| 429 | V | 38.3 | Very low | 36.9 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 65% | 0.648 | 77% | 0.772 | S | S | * | * | trans | -113.6 | 119 | 175 | 177.4 | 0 | 0 | 0 | 0 | 108.2 | L449 | V429-L449 HydrophobicContact CG1-CD2 4.11Š| ||
| 430 | L | 38.4 | Very low | 36.9 | Very low | 140 Ų | 140 | 117.2 Ų | 117.2 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 121.8 | 171.4 | -75.7 | 114.2 | 0 | 0 | 0 | 109.7 | I428 | I428-L430 HydrophobicContact CG2-CD1 4.39Š|
| 431 | A | 36.8 | Very low | 37 | Very low | 93 Ų | 93 | 119 Ų | 119 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 139.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T433 | A431-T433 PolarHBondContact O-N 3.13Š|
| 432 | E | 39 | Very low | 37 | Very low | 201 Ų | 201 | 116.1 Ų | 116.1 | 94% | 0.939 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 126.9 | -172.9 | -72.6 | 179.1 | 127.4 | 0 | 0 | 114.3 | ||
| 433 | T | 35.5 | Very low | 37.3 | Very low | 133 Ų | 133 | 114.2 Ų | 114.2 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | trans | -129.7 | 118.2 | 151.7 | -61.2 | 0 | 0 | 0 | 0 | 107.7 | A431 A435 | A431-T433 PolarHBondContact O-N 3.13Å; T433-A435 PolarHBondContact O-N 3.48Å | ||
| 434 | A | 39.9 | Very low | 37.1 | Very low | 101 Ų | 101 | 115.1 Ų | 115.1 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -68.7 | 89.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 435 | A | 35.9 | Very low | 37.1 | Very low | 96 Ų | 96 | 117.4 Ų | 117.4 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -155.7 | 15.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | T433 | T433-A435 PolarHBondContact O-N 3.48Š|
| 436 | A | 37.8 | Very low | 37.4 | Very low | 93 Ų | 93 | 119.2 Ų | 119.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -139.6 | 35.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G438 | A436-G438 PolarHBondContact O-N 3.27Š| ||
| 437 | V | 36.9 | Very low | 37.7 | Very low | 151 Ų | 151 | 121.7 Ų | 121.7 | 92% | 0.915 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 52.1 | -176.4 | -168.3 | 0 | 0 | 0 | 0 | 112 | ||
| 438 | G | 36.2 | Very low | 37.9 | Very low | 79 Ų | 79 | 118.7 Ų | 118.7 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | -15.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | A436 | A436-G438 PolarHBondContact O-N 3.27Š|
| 439 | A | 37.4 | Very low | 37.9 | Very low | 91 Ų | 91 | 119.2 Ų | 119.2 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -125.3 | 10 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 440 | L | 38.7 | Very low | 37.9 | Very low | 164 Ų | 164 | 119.7 Ų | 119.7 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -143 | 74.1 | 175.1 | -104.8 | 103.8 | 0 | 0 | 0 | 111.4 | ||||
| 441 | A | 35.7 | Very low | 37.9 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -93.4 | 98.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 442 | G | 37.3 | Very low | 37.8 | Very low | 69 Ų | 69 | 121.5 Ų | 121.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 174.7 | -15 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 443 | V | 40.3 | Very low | 37.8 | Very low | 131 Ų | 131 | 116.1 Ų | 116.1 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -135 | 90.8 | 178.5 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 444 | Q | 33.7 | Very low | 37.9 | Very low | 191 Ų | 191 | 114.6 Ų | 114.6 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -111.6 | 116.6 | 169.8 | -70 | 176.2 | 5.5 | 0 | 0 | 107.2 | ||||
| 445 | D | 38.1 | Very low | 37.9 | Very low | 144 Ų | 144 | 114.1 Ų | 114.1 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -114.5 | 152 | 159.9 | -145.8 | -1.6 | 0 | 0 | 0 | 108.6 | T447 G448 | D445-T447 PolarHBondContact O-N 3.31Å; D445-G448 PolarHBondContact O-N 2.59Å | ||
| 446 | A | 40.1 | Very low | 38.1 | Very low | 101 Ų | 101 | 115.3 Ų | 115.3 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 20.4 | -154.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 447 | T | 46.2 | Very low | 38.3 | Very low | 120 Ų | 120 | 116 Ų | 116 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.7 | 4.8 | 179.3 | 56 | 0 | 0 | 0 | 0 | 115.3 | D445 L449 | D445-T447 PolarHBondContact O-N 3.31Å; T447-L449 VanDerWaalsContact C-N 3.31Å; T447-L449 PolarHBondContact O-N 2.91Å |
| 448 | G | 38.7 | Very low | 38.3 | Very low | 76 Ų | 76 | 115.4 Ų | 115.4 | 78% | 0.784 | 71% | 0.712 | S | S | * | * | trans | 67.4 | 18.5 | 166 | 0 | 0 | 0 | 0 | 0 | 116.9 | D445 | D445-G448 PolarHBondContact O-N 2.59Š| ||
| 449 | L | 35.1 | Very low | 38.6 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 60% | 0.597 | 70% | 0.703 | S | S | * | * | trans | -109.2 | 128.8 | 177 | -70.4 | 171 | 0 | 0 | 0 | 111.3 | V429 T447 | V429-L449 HydrophobicContact CG1-CD2 4.11Å; T447-L449 VanDerWaalsContact C-N 3.31Å; T447-L449 PolarHBondContact O-N 2.91Å | ||
| 450 | V | 38 | Very low | 38.9 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 70% | 0.703 | 70% | 0.695 | S | S | * | * | trans | -92.8 | 118.1 | 173.8 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | I452 | V450-I452 HydrophobicContact CG1-CG1 4.37Š| ||
| 451 | Q | 37.8 | Very low | 39 | Very low | 153 Ų | 153 | 113.5 Ų | 113.5 | 72% | 0.715 | 68% | 0.682 | S | S | * | * | trans | -101.4 | 127.5 | 175.5 | -82.4 | 178 | -23.7 | 0 | 0 | 110.9 | ||||
| 452 | I | 36 | Very low | 39.2 | Very low | 119 Ų | 119 | 112.5 Ų | 112.5 | 61% | 0.61 | 67% | 0.665 | S | S | * | * | trans | -118.8 | 124.1 | 173.2 | -55.5 | 177.7 | 0 | 0 | 0 | 109.2 | V450 M456 | V450-I452 HydrophobicContact CG1-CG1 4.37Å; I452-M456 HydrophobicContact CG2-CB 4.44Å | ||
| 453 | P | 38.1 | Very low | 39.3 | Very low | 87 Ų | 87 | 112 Ų | 112 | 57% | 0.565 | 65% | 0.65 | S | S | * | * | trans | -68.1 | 141.9 | 176.6 | -19.6 | 31.8 | 0 | 0 | 0 | 113.5 | S455 M456 | P453-S455 PolarHBondContact O-N 3.19Å; P453-S455 VanDerWaalsContact O-N 3.11Å; P453-M456 PolarHBondContact O-N 2.88Å | ||
| 454 | V | 37.4 | Very low | 39.5 | Very low | 102 Ų | 102 | 113.2 Ų | 113.2 | 62% | 0.618 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -21.5 | -176.8 | 179.8 | 0 | 0 | 0 | 0 | 113.7 | M456 Y457 | V454-M456 PolarHBondContact O-N 3.32Å; V454-M456 VanDerWaalsContact O-N 3.13Å; V454-Y457 WeakPolarHBondContact O-CB 3.48Å; V454-Y457 PolarHBondContact O-N 3.26Å |
| 455 | S | 41.3 | Very low | 40 | Very low | 90 Ų | 90 | 108.3 Ų | 108.3 | 63% | 0.629 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62.3 | -19.9 | 177.5 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | P453 | P453-S455 PolarHBondContact O-N 3.19Å; P453-S455 VanDerWaalsContact O-N 3.11Å |
| 456 | M | 40.2 | Very low | 40.2 | Very low | 121 Ų | 121 | 109.2 Ų | 109.2 | 60% | 0.596 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -78.1 | -20.7 | 174.9 | -67 | -71.5 | -79.2 | 0 | 0 | 113.1 | I452 P453 V454 V460 | I452-M456 HydrophobicContact CG2-CB 4.44Å; P453-M456 PolarHBondContact O-N 2.88Å; V454-M456 PolarHBondContact O-N 3.32Å; V454-M456 VanDerWaalsContact O-N 3.13Å; M456-V460 WeakPolarHBondContact O-CG2 3.44Å |
| 457 | Y | 41.8 | Very low | 40 | Very low | 109 Ų | 109 | 107.9 Ų | 107.9 | 43% | 0.427 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -79.1 | -36 | -176.9 | -105.6 | -92.9 | 0 | 0 | 0 | 113.1 | L417 I428 V454 T459 V461 | L417-Y457 WeakPolarHBondContact CD2-OH 3.47Å; I428-Y457 HydrophobicContact CD1-CE2 4.16Å; V454-Y457 WeakPolarHBondContact O-CB 3.48Å; V454-Y457 PolarHBondContact O-N 3.26Å; Y457-T459 PolarHBondContact O-N 3.33Å; Y457-V461 WeakPolarHBondContact O-CG2 3.49Å; Y457-V461 PolarHBondContact O-N 3.22Å |
| 458 | Q | 37.2 | Very low | 39.9 | Very low | 137 Ų | 137 | 110.2 Ų | 110.2 | 64% | 0.64 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.9 | -36.3 | -176.7 | -156.4 | 74.1 | 48 | 0 | 0 | 111.7 | T462 | Q458-T462 WeakPolarHBondContact O-CB 3.49Å; Q458-T462 PolarHBondContact O-N 2.74Å; Q458-T462 PolarHBondContact O-OG1 3.21Å |
| 459 | T | 41.6 | Very low | 39.8 | Very low | 102 Ų | 102 | 117.5 Ų | 117.5 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -73.7 | -34.4 | -175.4 | -50.3 | 0 | 0 | 0 | 0 | 113 | Y457 S463 | Y457-T459 PolarHBondContact O-N 3.33Å; T459-S463 WeakPolarHBondContact O-CB 3.48Å; T459-S463 PolarHBondContact O-N 3.35Å; T459-S463 PolarHBondContact O-OG 2.74Å |
| 460 | V | 43.3 | Very low | 39.8 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 58% | 0.576 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -80.7 | -35.6 | -177 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | M456 S463 | M456-V460 WeakPolarHBondContact O-CG2 3.44Å; V460-S463 PolarHBondContact O-OG 3.11Å |
| 461 | V | 41.3 | Very low | 39.7 | Very low | 98 Ų | 98 | 118 Ų | 118 | 59% | 0.594 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.8 | -35.5 | 179.6 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | Y457 | Y457-V461 WeakPolarHBondContact O-CG2 3.49Å; Y457-V461 PolarHBondContact O-N 3.22Å |
| 462 | T | 39.6 | Very low | 39.5 | Very low | 88 Ų | 88 | 118.7 Ų | 118.7 | 54% | 0.54 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -75.2 | -26.7 | -179.2 | -36.6 | 0 | 0 | 0 | 0 | 112.6 | Q458 | Q458-T462 WeakPolarHBondContact O-CB 3.49Å; Q458-T462 PolarHBondContact O-N 2.74Å; Q458-T462 PolarHBondContact O-OG1 3.21Å |
| 463 | S | 39.9 | Very low | 39.3 | Very low | 58 Ų | 58 | 118.9 Ų | 118.9 | 41% | 0.406 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -85.9 | -19.7 | -177.8 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | T459 V460 | T459-S463 WeakPolarHBondContact O-CB 3.48Å; T459-S463 PolarHBondContact O-N 3.35Å; T459-S463 PolarHBondContact O-OG 2.74Å; V460-S463 PolarHBondContact O-OG 3.11Å |
| 464 | L | 45.2 | Very low | 38.7 | Very low | 157 Ų | 157 | 119.5 Ų | 119.5 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -83.5 | -17.7 | 178.1 | -145.9 | 74.4 | 0 | 0 | 0 | 113.4 | Q466 | L464-Q466 VanDerWaalsContact C-N 3.29Å; L464-Q466 PolarHBondContact O-N 3.48Å |
| 465 | A | 43.3 | Very low | 38.2 | Very low | 87 Ų | 87 | 123.5 Ų | 123.5 | 72% | 0.719 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -13.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 466 | Q | 42.4 | Very low | 37.6 | Very low | 164 Ų | 164 | 123.4 Ų | 123.4 | 77% | 0.766 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -121.5 | 105.4 | 177.5 | -68.9 | -179.8 | 1.6 | 0 | 0 | 108.8 | L464 | L464-Q466 VanDerWaalsContact C-N 3.29Å; L464-Q466 PolarHBondContact O-N 3.48Å |
| 467 | G | 35.3 | Very low | 37 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | trans | -53 | 144.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 468 | N | 44 | Very low | 36.4 | Very low | 170 Ų | 170 | 125 Ų | 125 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | trans | 61.2 | 63.7 | 147.5 | -136 | 64 | 0 | 0 | 0 | 119.2 | ||||
| 469 | R | 37.5 | Very low | 35.9 | Very low | 228 Ų | 228 | 123.1 Ų | 123.1 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -137.9 | 144.1 | 156.3 | -67.4 | -171 | 176.8 | -177.7 | -0.4 | 112.3 | ||||
| 470 | P | 35 | Very low | 35.3 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 83% | 0.831 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -73 | 134.1 | 176.8 | 29.1 | -32.6 | 0 | 0 | 0 | 111.4 | ||
| 471 | V | 36.3 | Very low | 34.4 | Very low | 113 Ų | 113 | 131 Ų | 131 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 127.5 | 178 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | V473 | V471-V473 HydrophobicContact CG1-CG2 4.01Š|
| 472 | Q | 31.9 | Very low | 33.9 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 131.7 | 168.9 | -75.3 | 179.7 | -9.7 | 0 | 0 | 109.7 | ||
| 473 | V | 32 | Very low | 33.4 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | -124.6 | 119.2 | 175.4 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | V471 | V471-V473 HydrophobicContact CG1-CG2 4.01Š| ||
| 474 | A | 27.2 | Very low | 32.9 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 128.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 475 | M | 24.9 | Very low | 32.1 | Very low | 186 Ų | 186 | 140.3 Ų | 140.3 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -89 | 118.3 | 174.9 | -70.5 | -92 | -158.1 | 0 | 0 | 109.4 | ||
| 476 | A | 28.7 | Very low | 31.4 | Very low | 88 Ų | 88 | 142.4 Ų | 142.4 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 136.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V478 | A476-V478 PolarHBondContact O-N 3.47Š|
| 477 | P | 27.6 | Very low | 30.7 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 124.7 | 179.9 | 29.3 | -31.1 | 0 | 0 | 0 | 110.9 | ||
| 478 | V | 29.5 | Very low | 30.3 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84 | 117.1 | 169.3 | 169.1 | 0 | 0 | 0 | 0 | 108.7 | A476 | A476-V478 PolarHBondContact O-N 3.47Š|
| 479 | A | 26.7 | Very low | 29.5 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | -82.4 | 115.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 480 | T | 29.2 | Very low | 29.1 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 77% | 0.767 | 80% | 0.804 | S | S | * | * | trans | -80.6 | 113.7 | 171 | 49.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 481 | R | 25.7 | Very low | 28.8 | Very low | 239 Ų | 239 | 139.9 Ų | 139.9 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -102.6 | 114.9 | 167.8 | -151.5 | -177.9 | -176.6 | 176.3 | 1.8 | 108.5 | ||||
| 482 | I | 30.6 | Very low | 28.5 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 74% | 0.744 | 82% | 0.816 | S | S | * | * | trans | -88.5 | 129.1 | 175.6 | -55 | 165.6 | 0 | 0 | 0 | 106.8 | ||||
| 483 | D | 27.5 | Very low | 28.3 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -161.7 | 131.7 | 149.8 | -93.5 | -34.3 | 0 | 0 | 0 | 111.8 | ||||
| 484 | N | 30 | Very low | 28.1 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -76 | 138.9 | 173.3 | -81.2 | -28.2 | 0 | 0 | 0 | 110.6 | ||||
| 485 | T | 27.7 | Very low | 28.2 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | trans | 173.1 | 150.1 | 131.2 | 39.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 486 | V | 30.6 | Very low | 28.3 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -68.7 | 135.8 | -175.7 | 170.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 487 | T | 26.2 | Very low | 28.4 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | 170.7 | 151.8 | 124.7 | 30 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 488 | L | 27.6 | Very low | 28.4 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -9 | 149.1 | 170.4 | -89.6 | 81.7 | 0 | 0 | 0 | 123.4 | ||||
| 489 | D | 27.1 | Very low | 28.3 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | 71.6 | 133.6 | 144.6 | -67.9 | -16.8 | 0 | 0 | 0 | 121.7 | ||||
| 490 | G | 28.1 | Very low | 28.6 | Very low | 77 Ų | 77 | 150.1 Ų | 150.1 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | 129.6 | 112.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 491 | Q | 30.3 | Very low | 28.5 | Very low | 203 Ų | 203 | 151.4 Ų | 151.4 | 95% | 0.949 | 83% | 0.826 | S | S | * | * | trans | -46.8 | 145.2 | 158 | -74 | 162.5 | -98.1 | 0 | 0 | 112.5 | ||||
| 492 | A | 28.7 | Very low | 28.7 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | -171.7 | 128.8 | 121.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 493 | V | 28.8 | Very low | 28.6 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 81% | 0.806 | 83% | 0.827 | S | S | * | * | trans | -70.5 | 136.9 | 160 | 169.3 | 0 | 0 | 0 | 0 | 107.7 | V495 | V493-V495 HydrophobicContact CG1-CG2 4.29Š| ||
| 494 | E | 28.2 | Very low | 28.7 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -141.4 | 120.9 | 151.9 | -141.9 | 175.5 | -164.9 | 0 | 0 | 112.2 | ||||
| 495 | V | 28 | Very low | 28.6 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 68% | 0.679 | 83% | 0.829 | S | S | * | * | trans | -83.4 | 128.9 | 171.6 | 169.8 | 0 | 0 | 0 | 0 | 106.7 | V493 T497 | V493-V495 HydrophobicContact CG1-CG2 4.29Å; V495-T497 HydrophobicContact CG1-CG2 4.2Å | ||
| 496 | V | 28.1 | Very low | 28.6 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | trans | -132.8 | 123.4 | 155.8 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 497 | T | 29.7 | Very low | 28.5 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 62% | 0.62 | 83% | 0.826 | S | S | * | * | trans | -84.1 | 140.3 | -176.1 | 41.7 | 0 | 0 | 0 | 0 | 113.1 | V495 | V495-T497 HydrophobicContact CG1-CG2 4.2Š| ||
| 498 | L | 28 | Very low | 28.7 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 82% | 0.817 | 83% | 0.828 | S | S | * | * | trans | 54.3 | 152.1 | 130 | -74.5 | 155.2 | 0 | 0 | 0 | 123.3 | ||||
| 499 | E | 27 | Very low | 28.8 | Very low | 179 Ų | 179 | 149 Ų | 149 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | 82.4 | 124.3 | 161.8 | -45.7 | -155.6 | 124.4 | 0 | 0 | 114.6 | ||||
| 500 | Q | 33.3 | Very low | 28.9 | Very low | 261 Ų | 261 | 148.5 Ų | 148.5 | 100% | 1.22 | 84% | 0.835 | S | S | * | * | cis | -154.4 | 0 | 40.7 | -167.1 | 166.3 | 61.7 | 0 | 0 | 111.9 |
Retrieved 500 of 500 residues in 125.2 ms
(Link to these results)