| 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 | 38.4 | Very low | 38.5 | Very low | 238 Ų | 238 | 146.6 Ų | 146.6 | 100% | 1.172 | 78% | 0.777 | S | S | * | * | 0 | 90.5 | 0 | -65.6 | 171.8 | 74.4 | 0 | 0 | 104.8 | |||||
| 2 | S | 37.2 | Very low | 38.2 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | 82.1 | 125.2 | 50.4 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 3 | D | 39.6 | Very low | 37.5 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | cis | -163.5 | -177.3 | -14.9 | -87 | -38.8 | 0 | 0 | 0 | 106.5 | ||||
| 4 | K | 44.8 | Very low | 36.8 | Very low | 189 Ų | 189 | 148.2 Ų | 148.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 86.4 | 104.3 | 169.8 | -52.9 | -172.2 | 177.1 | -171.4 | 0 | 114.6 | ||||
| 5 | D | 40.5 | Very low | 36.3 | Very low | 125 Ų | 125 | 145 Ų | 145 | 67% | 0.668 | 79% | 0.787 | S | S | * | * | cis | 79.3 | 151 | 27.3 | -40.1 | -61.3 | 0 | 0 | 0 | 115.8 | ||||
| 6 | D | 39.5 | Very low | 36.3 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 71.2 | 146.3 | 161.8 | -60.9 | -16.8 | 0 | 0 | 0 | 119.9 | ||||
| 7 | I | 36.3 | Very low | 36.7 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | cis | -178.8 | 148.4 | -35.2 | -113.2 | 171.5 | 0 | 0 | 0 | 104.9 | ||||
| 8 | E | 35.9 | Very low | 36.4 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | 176.5 | 123.1 | 131.6 | -98.3 | -170.2 | 167.9 | 0 | 0 | 112.7 | ||||
| 9 | T | 39.8 | Very low | 36.2 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 69% | 0.693 | 78% | 0.784 | S | S | * | * | trans | -96.4 | 165.3 | 163.7 | -11.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 10 | P | 42.1 | Very low | 35.9 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -122.3 | 133.2 | 115.4 | -3 | 23.2 | 0 | 0 | 0 | 110.5 | |||||
| 11 | L | 29.4 | Very low | 35.6 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 71% | 0.707 | 79% | 0.79 | S | S | * | * | 61.6 | 108.2 | 62 | -59.3 | 175.4 | 0 | 0 | 0 | 111.7 | |||||
| 12 | L | 34.6 | Very low | 35.1 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | 69.5 | 107.4 | 61 | -72 | 176.5 | 0 | 0 | 0 | 115 | |||||
| 13 | T | 28.9 | Very low | 34.8 | Very low | 126 Ų | 126 | 138.3 Ų | 138.3 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -176.5 | 124.5 | 130.5 | 20.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 14 | E | 28.7 | Very low | 34.2 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | 77.5 | 113.6 | 64.7 | -170.7 | -175.1 | -178.6 | 0 | 0 | 113.1 | |||||
| 15 | A | 28.3 | Very low | 33.9 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | 166.6 | 141.6 | 132.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 16 | A | 37.5 | Very low | 34.3 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | trans | -131.8 | 146.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 17 | P | 42.9 | Very low | 34 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -115.9 | 128.3 | 150.2 | 23.3 | -7 | 0 | 0 | 0 | 109.8 | ||||
| 18 | I | 31.2 | Very low | 33.9 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | 81.1 | 104.7 | 62.1 | -66.1 | 168.4 | 0 | 0 | 0 | 113.1 | |||||
| 19 | L | 32.6 | Very low | 33.8 | Very low | 156 Ų | 156 | 132 Ų | 132 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | trans | 40 | 118.9 | 142.2 | -53.8 | 175.1 | 0 | 0 | 0 | 121.8 | ||||
| 20 | E | 30.1 | Very low | 33.6 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | -132.6 | 134.5 | 102.6 | -74.4 | -171.4 | 140.7 | 0 | 0 | 105.4 | |||||
| 21 | D | 30.2 | Very low | 33 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | 72.4 | 136.9 | 52.4 | -153.4 | 5.3 | 0 | 0 | 0 | 113.8 | |||||
| 22 | G | 26.8 | Very low | 33.2 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 160 | 34.8 | -162.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 23 | N | 30.3 | Very low | 33.1 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -67.7 | 134.8 | 175.1 | -177.9 | 17 | 0 | 0 | 0 | 112 | ||||
| 24 | C | 28.6 | Very low | 33.3 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | 178.8 | 103.6 | 141.1 | -108.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 25 | E | 37.9 | Very low | 33.6 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | -67.2 | 164.4 | 128.6 | -122.3 | -162.6 | -145.3 | 0 | 0 | 108.4 | |||||
| 26 | P | 48.4 | Very low | 33.5 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | -159.5 | -179.2 | 54.3 | 43.5 | -21.2 | 0 | 0 | 0 | 119.4 | |||||
| 27 | A | 32.4 | Very low | 33.2 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 55% | 0.545 | 75% | 0.754 | S | S | . | * | trans | 100.1 | 137.4 | 130.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 28 | K | 34.9 | Very low | 32.6 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | 83.4 | 136 | 153.3 | -67.6 | 149.3 | -176.4 | 177.6 | 0 | 117.8 | ||||
| 29 | N | 33.1 | Very low | 33.6 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | cis | -162.3 | 149.6 | -7.8 | -125.4 | 20.8 | 0 | 0 | 0 | 113.8 | ||||
| 30 | S | 35.7 | Very low | 33.3 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 58% | 0.58 | 75% | 0.754 | S | S | * | * | trans | 52.3 | 159.8 | 139.5 | 75.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 31 | E | 30.7 | Very low | 33.1 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 72% | 0.724 | 74% | 0.737 | S | S | * | * | cis | -137.2 | 136 | 5.3 | -119.3 | 120.5 | 159.7 | 0 | 0 | 109 | ||||
| 32 | F | 33.7 | Very low | 33.1 | Very low | 193 Ų | 193 | 131.2 Ų | 131.2 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | 57.2 | 149.3 | 98.2 | -80 | -55.8 | 0 | 0 | 0 | 116.3 | |||||
| 33 | V | 33 | Very low | 33.1 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | cis | -147.5 | 138.4 | 10.7 | 103.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 34 | D | 32.8 | Very low | 33 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 67% | 0.668 | 75% | 0.747 | S | S | * | * | 55.9 | 153.6 | 99 | -140.3 | 15 | 0 | 0 | 0 | 115 | |||||
| 35 | Q | 33.9 | Very low | 34 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | cis | -162.7 | 162 | 9.3 | -162 | 173.3 | 107.2 | 0 | 0 | 106.7 | ||||
| 36 | G | 27.7 | Very low | 33.5 | Very low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | cis | 166 | -167 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 37 | A | 29.3 | Very low | 32.5 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 94% | 0.942 | 75% | 0.75 | S | S | * | * | trans | 72.5 | 156.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 38 | K | 30.8 | Very low | 32.3 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | trans | -129.3 | 179.4 | 174.7 | -138.1 | -172 | 176.2 | 180 | 0 | 105.9 | ||||
| 39 | P | 52 | Low | 31.9 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | -137.9 | -157 | -5.6 | 40.6 | -18.2 | 0 | 0 | 0 | 114.5 | ||||
| 40 | E | 26.2 | Very low | 31.7 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 67.9 | 176.4 | 162.9 | -73.1 | -171.3 | -162.2 | 0 | 0 | 119.7 | ||||
| 41 | S | 27.4 | Very low | 31.4 | Very low | 79 Ų | 79 | 142.4 Ų | 142.4 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | -164.3 | 161.4 | -62.2 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 42 | K | 28.6 | Very low | 31.1 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 81% | 0.809 | 77% | 0.771 | S | S | * | * | trans | 77.1 | 129.8 | 161.1 | -62.5 | 172.7 | -178.7 | 170 | 0 | 122.6 | ||||
| 43 | S | 26.7 | Very low | 31.4 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | 71.4 | 136.2 | 136.8 | 56.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 44 | E | 29.2 | Very low | 31 | Very low | 181 Ų | 181 | 141 Ų | 141 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -73.7 | -166.7 | 166.6 | -33.8 | 168.4 | 107.6 | 0 | 0 | 112.4 | ||||
| 45 | P | 49.6 | Very low | 30.7 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | cis | -133.1 | -168.6 | -13.1 | 34.3 | -13.5 | 0 | 0 | 0 | 113.3 | ||||
| 46 | V | 26.4 | Very low | 30.4 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | -168.3 | 150.6 | 132.2 | 135.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 47 | V | 28.4 | Very low | 30.8 | Very low | 122 Ų | 122 | 145 Ų | 145 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | trans | -84.6 | 151.6 | -164.4 | 168.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 48 | S | 27.2 | Very low | 30.7 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -164.4 | 149.3 | 144.9 | -78.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 49 | T | 27.2 | Very low | 30.5 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | cis | -166.5 | 143.6 | -27.2 | 36.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 50 | R | 30.1 | Very low | 29.3 | Very low | 225 Ų | 225 | 142.1 Ų | 142.1 | 85% | 0.849 | 76% | 0.761 | S | S | * | * | trans | 67.5 | 152.3 | 162.6 | -66.1 | 177 | 167.7 | 172.5 | -2.5 | 116.7 | ||||
| 51 | K | 28.8 | Very low | 29.4 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | cis | -155.5 | 153.6 | -5.8 | -126.8 | -178.4 | 178.1 | -168.7 | 0 | 111.4 | ||||
| 52 | R | 24.7 | Very low | 29.2 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | -88.2 | 177.8 | 165.2 | -131.1 | -170 | 148.9 | 106.3 | -9.2 | 109.4 | E54 | R52-E54 IonicContact CZ-OE1 3.15Å; R52-E54 IonicContact NE-OE1 2.74Å; R52-E54 PolarHBondContact NE-OE1 2.85Å; R52-E54 IonicContact NH2-OE1 2.7Å; R52-E54 PolarHBondContact NH2-OE1 3.42Å | ||
| 53 | P | 38.3 | Very low | 29 | Very low | 98 Ų | 98 | 141 Ų | 141 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | cis | -144.2 | 165.3 | 1.3 | 42.7 | -23.7 | 0 | 0 | 0 | 119.9 | ||||
| 54 | E | 26 | Very low | 28.8 | Very low | 136 Ų | 136 | 140.5 Ų | 140.5 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | 52.1 | 149 | 137.8 | -67.8 | 159.2 | -134.1 | 0 | 0 | 121.3 | R52 | R52-E54 IonicContact CZ-OE1 3.15Å; R52-E54 IonicContact NE-OE1 2.74Å; R52-E54 PolarHBondContact NE-OE1 2.85Å; R52-E54 IonicContact NH2-OE1 2.7Å; R52-E54 PolarHBondContact NH2-OE1 3.42Å | ||
| 55 | T | 26.4 | Very low | 28.6 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | cis | -152.4 | 178.2 | 48.6 | 45 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 56 | K | 28.3 | Very low | 27.4 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | -123.2 | 159.4 | 166.3 | -116.4 | -177.9 | -178.8 | -176.4 | 0 | 107.5 | ||||
| 57 | P | 35.3 | Very low | 27.3 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | -158.4 | -178.2 | 69.5 | 39.5 | -16.7 | 0 | 0 | 0 | 118.2 | |||||
| 58 | S | 27.8 | Very low | 27.6 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | trans | 52.1 | 151 | 147.5 | 51.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 59 | S | 26.5 | Very low | 27.2 | Very low | 98 Ų | 98 | 145 Ų | 145 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | cis | -160.9 | 158.9 | 4.9 | 42.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 60 | D | 25.8 | Very low | 27.4 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | 21.8 | 145.2 | 142 | -40.5 | -33 | 0 | 0 | 0 | 120.7 | ||||
| 61 | L | 27.8 | Very low | 27 | Very low | 143 Ų | 143 | 144.1 Ų | 144.1 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | cis | -168.7 | 152.8 | 44.8 | -163.4 | 85.1 | 0 | 0 | 0 | 113.4 | ||||
| 62 | E | 24.8 | Very low | 26.7 | Very low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | trans | 62.8 | 129.3 | 147.9 | -93.6 | -177.3 | -178.1 | 0 | 0 | 127.5 | ||||
| 63 | T | 22.8 | Very low | 26.6 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | trans | 86.3 | 116.9 | 134.7 | -56.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 64 | S | 24.5 | Very low | 26 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 32.6 | 138.9 | 149.3 | -56.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 65 | K | 24.5 | Very low | 25.9 | Very low | 189 Ų | 189 | 139.7 Ų | 139.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | -178.9 | 130.8 | 59.5 | -175.1 | 178.8 | -179.6 | -178 | 0 | 112.9 | |||||
| 66 | V | 24.7 | Very low | 25.8 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 54 | 132 | 151.2 | -176.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 67 | L | 24.2 | Very low | 25.6 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -59.7 | 179.1 | 169.7 | -77 | 163.3 | 0 | 0 | 0 | 114.9 | ||||
| 68 | P | 33 | Very low | 25.3 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | cis | -128.7 | 157.6 | -5.3 | 36.6 | -21.2 | 0 | 0 | 0 | 115.2 | ||||
| 69 | I | 20.6 | Very low | 25.4 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | trans | -135.3 | 138.5 | 144.7 | -59.6 | -175.7 | 0 | 0 | 0 | 109.3 | ||||
| 70 | Q | 31.1 | Very low | 25.5 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -60.7 | 143.8 | 171.5 | 167.7 | -172 | 14 | 0 | 0 | 113.2 | ||||
| 71 | D | 21.4 | Very low | 25.7 | Very low | 153 Ų | 153 | 145.3 Ų | 145.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -152.8 | 168.1 | 152.4 | -134.9 | -29.6 | 0 | 0 | 0 | 114 | ||||
| 72 | N | 22.5 | Very low | 26.2 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 66% | 0.658 | 78% | 0.781 | S | S | * | * | trans | -106.3 | 175.1 | -167.2 | -65.6 | -90.9 | 0 | 0 | 0 | 113.9 | ||||
| 73 | V | 23.2 | Very low | 26.4 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | 131.5 | 121 | 134.1 | 175.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 74 | S | 24.3 | Very low | 26.8 | Very low | 99 Ų | 99 | 150.6 Ų | 150.6 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | 64.9 | 136 | 157.9 | -67.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 75 | K | 25 | Very low | 28 | Very low | 179 Ų | 179 | 154.2 Ų | 154.2 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | 69.8 | 131.9 | 53 | -74.9 | -168.7 | 173.4 | -166.7 | 0 | 112.9 | |||||
| 76 | D | 23.6 | Very low | 28.4 | Very low | 137 Ų | 137 | 149.1 Ų | 149.1 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | cis | -144.1 | 149.1 | 12.3 | -78.1 | -55.4 | 0 | 0 | 0 | 112.7 | ||||
| 77 | V | 24.3 | Very low | 29 | Very low | 131 Ų | 131 | 147.6 Ų | 147.6 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -143.5 | 130.1 | 152.8 | 179.1 | 0 | 0 | 0 | 0 | 107.3 | Q79 | V77-Q79 PolarHBondContact O-N 3.01Š| ||
| 78 | P | 28.8 | Very low | 30 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 124.8 | -175.2 | 29.2 | -34.1 | 0 | 0 | 0 | 112.2 | ||
| 79 | Q | 29.9 | Very low | 30.4 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 124.7 | 163 | -88.4 | -70.5 | -73.4 | 0 | 0 | 109.9 | V77 | V77-Q79 PolarHBondContact O-N 3.01Š|
| 80 | T | 28.6 | Very low | 31.5 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 128.2 | -171.7 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 81 | R | 30.7 | Very low | 31.7 | Very low | 228 Ų | 228 | 145.3 Ų | 145.3 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 58.6 | 73.7 | 155.1 | -165.9 | -175 | -71.4 | 168.9 | -4.5 | 116.7 | ||
| 82 | W | 38.1 | Very low | 33.2 | Very low | 236 Ų | 236 | 143.3 Ų | 143.3 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | trans | -133.4 | 40.3 | 153.3 | -156.9 | -79.5 | 0 | 0 | 0 | 110.7 | ||||
| 83 | G | 29.2 | Very low | 34 | Very low | 79 Ų | 79 | 142.7 Ų | 142.7 | 81% | 0.814 | 76% | 0.76 | S | S | * | * | trans | -96.3 | 9.1 | -154 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 84 | Y | 30 | Very low | 34.5 | Very low | 215 Ų | 215 | 141.4 Ų | 141.4 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -132.7 | -19.6 | -168.5 | -151.2 | -105 | 0 | 0 | 0 | 116.6 | ||
| 85 | W | 49.2 | Very low | 35.4 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | -105.8 | 14 | -170.8 | -64.2 | 83.9 | 0 | 0 | 0 | 114.2 | S87 L292 | W85-S87 VanDerWaalsContact C-N 3.32Å; W85-S87 PolarHBondContact O-N 3.29Å; W85-L292 HydrophobicContact CH2-CD1 4.47Å | ||
| 86 | G | 34.5 | Very low | 36 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 9.9 | -165.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 87 | S | 35.9 | Very low | 36.7 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.6 | -13.5 | -168.1 | -164.6 | 0 | 0 | 0 | 0 | 116.6 | W85 | W85-S87 VanDerWaalsContact C-N 3.32Å; W85-S87 PolarHBondContact O-N 3.29Å |
| 88 | W | 46.3 | Very low | 37.3 | Very low | 196 Ų | 196 | 130.7 Ų | 130.7 | 74% | 0.742 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -95 | -27.5 | -171.8 | -66.9 | 20 | 0 | 0 | 0 | 112.6 | K90 | W88-K90 PolarHBondContact O-N 3.22Š|
| 89 | G | 40.7 | Very low | 37.8 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -76.6 | 38.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 90 | K | 42.9 | Very low | 38.4 | Very low | 184 Ų | 184 | 127.7 Ų | 127.7 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -141.2 | 103.3 | 175.8 | -76.9 | -166.8 | 174.7 | -178.8 | 0 | 113.5 | W88 | W88-K90 PolarHBondContact O-N 3.22Š|
| 91 | S | 37 | Very low | 38.9 | Very low | 91 Ų | 91 | 126 Ų | 126 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | trans | 60.2 | 63.8 | 161.9 | -56.2 | 0 | 0 | 0 | 0 | 116.6 | L93 S94 | S91-L93 PolarHBondContact O-N 2.87Å; S91-S94 PolarHBondContact O-N 3.32Å; S91-S94 VanDerWaalsContact O-N 3.1Å | ||
| 92 | I | 51.3 | Low | 39.4 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 56% | 0.564 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -53.9 | -38.9 | 171.2 | -56.2 | 177.9 | 0 | 0 | 0 | 111 | S94 S95 | I92-S94 PolarHBondContact O-N 3.08Å; I92-S95 PolarHBondContact O-N 2.92Å |
| 93 | L | 41.3 | Very low | 39.8 | Very low | 110 Ų | 110 | 113.1 Ų | 113.1 | 58% | 0.576 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -69.9 | 8.7 | 178.4 | -57.9 | -178.9 | 0 | 0 | 0 | 115.7 | S91 E251 | S91-L93 PolarHBondContact O-N 2.87Å; L93-E251 HydrophobicContact CD2-CG 4.19Å; L93-E251 VanDerWaalsContact CD2-OE1 3.31Å; L93-E251 WeakPolarHBondContact CD2-OE1 3.33Å |
| 94 | S | 33.8 | Very low | 40.2 | Very low | 100 Ų | 100 | 111.8 Ų | 111.8 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -109.9 | 4.9 | 171.2 | -61.7 | 0 | 0 | 0 | 0 | 113.9 | S91 I92 | S91-S94 PolarHBondContact O-N 3.32Å; S91-S94 VanDerWaalsContact O-N 3.1Å; I92-S94 PolarHBondContact O-N 3.08Å |
| 95 | S | 41.3 | Very low | 40.9 | Very low | 46 Ų | 46 | 109 Ų | 109 | 32% | 0.322 | 67% | 0.673 | S | S | . | * | trans | -111.1 | 4.8 | -175.3 | -147.1 | 0 | 0 | 0 | 0 | 115.4 | I92 S97 A98 T99 | I92-S95 PolarHBondContact O-N 2.92Å; S95-S97 PolarHBondContact O-N 3Å; S95-A98 PolarHBondContact O-N 3.25Å; S95-T99 PolarHBondContact O-N 2.81Å; S95-T99 PolarHBondContact O-OG1 3.47Å | ||
| 96 | A | 39.1 | Very low | 40.6 | Very low | 93 Ų | 93 | 103.2 Ų | 103.2 | 77% | 0.769 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 8.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 97 | S | 38.3 | Very low | 41 | Very low | 129 Ų | 129 | 103.5 Ų | 103.5 | 90% | 0.902 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.8 | 20.1 | 169.8 | -56.6 | 0 | 0 | 0 | 0 | 113 | S95 | S95-S97 PolarHBondContact O-N 3Š|
| 98 | A | 35.5 | Very low | 41 | Very low | 53 Ų | 53 | 101.7 Ų | 101.7 | 44% | 0.438 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.9 | -7.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S95 V100 | S95-A98 PolarHBondContact O-N 3.25Å; A98-V100 VanDerWaalsContact C-N 3.27Å; A98-V100 PolarHBondContact O-N 3.02Å |
| 99 | T | 39.1 | Very low | 40.7 | Very low | 89 Ų | 89 | 98.2 Ų | 98.2 | 55% | 0.546 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | -9.5 | -172.8 | 29.6 | 0 | 0 | 0 | 0 | 116.3 | S95 A101 | S95-T99 PolarHBondContact O-N 2.81Å; S95-T99 PolarHBondContact O-OG1 3.47Å; T99-A101 VanDerWaalsContact C-N 3.26Å; T99-A101 PolarHBondContact O-N 3.18Å |
| 100 | V | 43.3 | Very low | 40.7 | Very low | 149 Ų | 149 | 99.9 Ų | 99.9 | 90% | 0.903 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -19.2 | 178.8 | -176.8 | 0 | 0 | 0 | 0 | 112.8 | A98 | A98-V100 VanDerWaalsContact C-N 3.27Å; A98-V100 PolarHBondContact O-N 3.02Å |
| 101 | A | 38.6 | Very low | 40.9 | Very low | 84 Ų | 84 | 95.9 Ų | 95.9 | 69% | 0.694 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -101.8 | -13.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | T99 | T99-A101 VanDerWaalsContact C-N 3.26Å; T99-A101 PolarHBondContact O-N 3.18Å |
| 102 | T | 42.9 | Very low | 41.3 | Very low | 97 Ų | 97 | 97.4 Ų | 97.4 | 60% | 0.595 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -123.5 | -8.1 | -160.6 | -34.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 103 | V | 46.1 | Very low | 40.9 | Very low | 98 Ų | 98 | 100.8 Ų | 100.8 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -94.3 | -16.5 | 179.7 | -176.9 | 0 | 0 | 0 | 0 | 112.9 | Q105 G106 | V103-Q105 PolarHBondContact O-N 3.29Å; V103-G106 PolarHBondContact O-N 3.45Å |
| 104 | G | 36.8 | Very low | 41 | Very low | 50 Ų | 50 | 98.8 Ų | 98.8 | 52% | 0.515 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -14.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 105 | Q | 45.3 | Very low | 41.5 | Very low | 156 Ų | 156 | 99.8 Ų | 99.8 | 73% | 0.729 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -11.3 | -176 | -70.9 | 172 | -37.4 | 0 | 0 | 114.3 | V103 | V103-Q105 PolarHBondContact O-N 3.29Š|
| 106 | G | 41.7 | Very low | 41.7 | Very low | 67 Ų | 67 | 102.8 Ų | 102.8 | 69% | 0.691 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -32.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V103 | V103-G106 PolarHBondContact O-N 3.45Š|
| 107 | I | 43.3 | Very low | 41.8 | Very low | 90 Ų | 90 | 103.3 Ų | 103.3 | 46% | 0.462 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.9 | -12.1 | -170.5 | 48.3 | 175.2 | 0 | 0 | 0 | 114.5 | N109 V110 L460 | I107-N109 PolarHBondContact O-N 3.07Å; I107-V110 PolarHBondContact O-N 2.77Å; I107-L460 HydrophobicContact CD1-CD2 3.98Å |
| 108 | S | 35.7 | Very low | 42.1 | Very low | 63 Ų | 63 | 104.2 Ų | 104.2 | 44% | 0.441 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -59.5 | -31.3 | -176 | -156.8 | 0 | 0 | 0 | 0 | 113.9 | V110 I111 E112 | S108-V110 PolarHBondContact O-N 3.04Å; S108-I111 PolarHBondContact O-N 3.35Å; S108-E112 PolarHBondContact O-N 3.5Å; S108-E112 VanDerWaalsContact O-N 3.15Å |
| 109 | N | 41.6 | Very low | 42.3 | Very low | 124 Ų | 124 | 105.3 Ų | 105.3 | 66% | 0.663 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.1 | -15.9 | -178.5 | -66.1 | 8.4 | 0 | 0 | 0 | 114.1 | I107 | I107-N109 PolarHBondContact O-N 3.07Å |
| 110 | V | 40.5 | Very low | 42.6 | Very low | 115 Ų | 115 | 107.5 Ų | 107.5 | 70% | 0.697 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -90.6 | -35.9 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | I107 S108 K113 | I107-V110 PolarHBondContact O-N 2.77Å; S108-V110 PolarHBondContact O-N 3.04Å; V110-K113 PolarHBondContact O-N 3.37Å |
| 111 | I | 45.8 | Very low | 42.1 | Very low | 100 Ų | 100 | 106.2 Ų | 106.2 | 51% | 0.513 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.5 | -43 | -179 | -60.3 | 175.1 | 0 | 0 | 0 | 111.2 | S108 K113 A114 E115 | S108-I111 PolarHBondContact O-N 3.35Å; I111-K113 PolarHBondContact O-N 3.3Å; I111-K113 VanDerWaalsContact O-N 3.09Å; I111-A114 PolarHBondContact O-N 3.09Å; I111-E115 PolarHBondContact O-N 3.01Å; I111-E115 VanDerWaalsContact O-N 3.1Å |
| 112 | E | 45.2 | Very low | 41.9 | Very low | 123 Ų | 123 | 106.6 Ų | 106.6 | 58% | 0.575 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -55 | -31.4 | 177.5 | -173.6 | 179.1 | -160.5 | 0 | 0 | 112.6 | S108 A114 T116 | S108-E112 PolarHBondContact O-N 3.5Å; S108-E112 VanDerWaalsContact O-N 3.15Å; E112-A114 VanDerWaalsContact C-N 3.3Å; E112-A114 PolarHBondContact O-N 3.35Å; E112-T116 WeakPolarHBondContact O-CG2 3.42Å; E112-T116 PolarHBondContact O-N 2.91Å; E112-T116 PolarHBondContact O-OG1 3.23Å |
| 113 | K | 44.8 | Very low | 41.7 | Very low | 181 Ų | 181 | 108.1 Ų | 108.1 | 79% | 0.787 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -77.2 | -12 | 180 | -153.1 | 176 | -177.1 | -177.5 | 0 | 114 | V110 I111 | V110-K113 PolarHBondContact O-N 3.37Å; I111-K113 PolarHBondContact O-N 3.3Å; I111-K113 VanDerWaalsContact O-N 3.09Å |
| 114 | A | 43.1 | Very low | 41.3 | Very low | 68 Ų | 68 | 108.8 Ų | 108.8 | 56% | 0.562 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -97.4 | -40.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I111 E112 T116 S117 | I111-A114 PolarHBondContact O-N 3.09Å; E112-A114 VanDerWaalsContact C-N 3.3Å; E112-A114 PolarHBondContact O-N 3.35Å; A114-T116 VanDerWaalsContact C-N 3.35Å; A114-T116 PolarHBondContact O-N 2.9Å; A114-S117 PolarHBondContact O-N 3.25Å |
| 115 | E | 43.3 | Very low | 41.5 | Very low | 121 Ų | 121 | 115.4 Ų | 115.4 | 57% | 0.565 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -67.6 | -32.6 | -174.3 | -165.9 | 171.5 | -179 | 0 | 0 | 113.3 | I111 S117 L118 | I111-E115 PolarHBondContact O-N 3.01Å; I111-E115 VanDerWaalsContact O-N 3.1Å; E115-S117 PolarHBondContact O-N 3.06Å; E115-L118 PolarHBondContact O-N 3.3Å; E115-L118 VanDerWaalsContact O-N 3.16Å |
| 116 | T | 44.9 | Very low | 41 | Very low | 108 Ų | 108 | 116 Ų | 116 | 66% | 0.663 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -8.7 | 176.3 | 39.2 | 0 | 0 | 0 | 0 | 115.1 | E112 A114 | E112-T116 WeakPolarHBondContact O-CG2 3.42Å; E112-T116 PolarHBondContact O-N 2.91Å; E112-T116 PolarHBondContact O-OG1 3.23Å; A114-T116 VanDerWaalsContact C-N 3.35Å; A114-T116 PolarHBondContact O-N 2.9Å |
| 117 | S | 41.7 | Very low | 40.5 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -12.7 | 177.3 | -161.1 | 0 | 0 | 0 | 0 | 114.7 | A114 E115 | A114-S117 PolarHBondContact O-N 3.25Å; E115-S117 PolarHBondContact O-N 3.06Å |
| 118 | L | 45.8 | Very low | 40 | Very low | 148 Ų | 148 | 120 Ų | 120 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.1 | -6.6 | -170.4 | -81.2 | 168.6 | 0 | 0 | 0 | 116.8 | E115 | E115-L118 PolarHBondContact O-N 3.3Å; E115-L118 VanDerWaalsContact O-N 3.16Å |
| 119 | G | 40.1 | Very low | 39.7 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 72% | 0.722 | S | S | * | * | trans | 67.3 | 49.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 120 | I | 43.5 | Very low | 39.2 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | trans | -115.7 | 138.6 | 174.1 | -56.4 | 177.8 | 0 | 0 | 0 | 108.4 | ||||
| 121 | P | 33.9 | Very low | 38.5 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -80.1 | 153.2 | -173.9 | 31.3 | -35.9 | 0 | 0 | 0 | 114.4 | ||||
| 122 | S | 33.5 | Very low | 37.5 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | trans | -73.1 | 155.2 | -171.4 | -42.7 | 0 | 0 | 0 | 0 | 114.7 | S124 | S122-S124 VanDerWaalsContact C-N 3.28Å; S122-S124 PolarHBondContact O-N 2.66Å | ||
| 123 | P | 38.9 | Very low | 36.7 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -80.8 | 29.5 | -159.4 | 33.6 | -39 | 0 | 0 | 0 | 116.8 | E125 | P123-E125 VanDerWaalsContact C-N 3.33Å; P123-E125 PolarHBondContact O-N 3.2Å |
| 124 | S | 38.9 | Very low | 35.8 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 1.8 | -171.4 | -59.2 | 0 | 0 | 0 | 0 | 115.9 | S122 | S122-S124 VanDerWaalsContact C-N 3.28Å; S122-S124 PolarHBondContact O-N 2.66Å |
| 125 | E | 40.5 | Very low | 35 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 5 | -169.1 | -62.2 | -163.1 | 141.4 | 0 | 0 | 115.7 | P123 | P123-E125 VanDerWaalsContact C-N 3.33Å; P123-E125 PolarHBondContact O-N 3.2Å |
| 126 | I | 33.7 | Very low | 34.1 | Very low | 170 Ų | 170 | 133.7 Ų | 133.7 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -115 | 76.8 | 177.7 | -50.7 | -178.5 | 0 | 0 | 0 | 110.4 | ||||
| 127 | S | 32.9 | Very low | 33.3 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -153.5 | 59.9 | 177.8 | -177.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 128 | T | 31.1 | Very low | 32.6 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -145 | 150.9 | 165.6 | 44 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 129 | E | 30.1 | Very low | 31.8 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 60.9 | 127.7 | -174.4 | -107 | 47.9 | -126.8 | 0 | 0 | 114.7 | ||||
| 130 | V | 30 | Very low | 31.4 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | cis | -135 | 162.8 | 33 | 166.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 131 | K | 26.6 | Very low | 30.6 | Very low | 165 Ų | 165 | 144.1 Ų | 144.1 | 72% | 0.717 | 82% | 0.819 | S | S | * | * | trans | -128.3 | 136 | -167.2 | -177.5 | 175.7 | -179.8 | 176.8 | 0 | 113.7 | ||||
| 132 | Y | 26.1 | Very low | 30.2 | Very low | 205 Ų | 205 | 144 Ų | 144 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 21.4 | 127.2 | 165.4 | -65 | -68 | 0 | 0 | 0 | 121.1 | ||||
| 133 | V | 26.5 | Very low | 29.9 | Very low | 148 Ų | 148 | 147.8 Ų | 147.8 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | -135.1 | 142.4 | 123.3 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 134 | A | 27.5 | Very low | 29.4 | Very low | 96 Ų | 96 | 147.8 Ų | 147.8 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -120 | 151.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 135 | G | 24.7 | Very low | 28.8 | Very low | 79 Ų | 79 | 152.9 Ų | 152.9 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | trans | -162.1 | 124.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 136 | E | 26.2 | Very low | 28.2 | Very low | 181 Ų | 181 | 149 Ų | 149 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -86.5 | 154.9 | -178.8 | -55.8 | 170.5 | 106.5 | 0 | 0 | 111.8 | ||||
| 137 | T | 27.2 | Very low | 28.9 | Very low | 147 Ų | 147 | 146.2 Ų | 146.2 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | -161.5 | 146.4 | 129.2 | 2.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 138 | N | 27.3 | Very low | 28.5 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -99.1 | 139.4 | 175.9 | -86.4 | -103.9 | 0 | 0 | 0 | 110.7 | ||||
| 139 | A | 29.1 | Very low | 28.4 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -148.2 | 137.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 140 | K | 31 | Very low | 28.3 | Very low | 193 Ų | 193 | 141.9 Ų | 141.9 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -102.3 | 150.3 | 169.6 | -56.9 | 175.4 | -179.1 | 179 | 0 | 107.7 | ||||
| 141 | E | 26.1 | Very low | 28.3 | Very low | 203 Ų | 203 | 140 Ų | 140 | 95% | 0.949 | 81% | 0.813 | S | S | * | * | -159.7 | 168 | 108.4 | -114.2 | 168.6 | -171.6 | 0 | 0 | 113.2 | |||||
| 142 | N | 26.8 | Very low | 28.7 | Very low | 119 Ų | 119 | 143 Ų | 143 | 64% | 0.636 | 83% | 0.827 | S | S | * | * | trans | -110.2 | 141.9 | -165.8 | 179.4 | 43 | 0 | 0 | 0 | 108.4 | ||||
| 143 | E | 27.2 | Very low | 28.8 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | 177 | 162.1 | 110.5 | -93.1 | -176.1 | -167.9 | 0 | 0 | 113.7 | |||||
| 144 | N | 29 | Very low | 29.4 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 70% | 0.695 | 81% | 0.812 | S | S | * | * | trans | -82.4 | 157.7 | -169.8 | -47.5 | -89.3 | 0 | 0 | 0 | 112.5 | ||||
| 145 | F | 24.9 | Very low | 29.5 | Very low | 219 Ų | 219 | 140.9 Ų | 140.9 | 96% | 0.961 | 82% | 0.819 | S | S | * | * | trans | -155.3 | 137.5 | 130.7 | -100.9 | -63.8 | 0 | 0 | 0 | 113.5 | ||||
| 146 | S | 27.7 | Very low | 30 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | trans | -169.1 | 156.2 | 174.7 | -171.8 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 147 | P | 48.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | -131.8 | -146.5 | 13.4 | 42.8 | -23.7 | 0 | 0 | 0 | 113.3 | ||||
| 148 | V | 26.3 | Very low | 31.4 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 85.1 | 107.6 | -179.3 | -173.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 149 | A | 29.2 | Very low | 31.8 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | cis | 89 | 117.6 | 27.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 150 | G | 26 | Very low | 32.6 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | 112.2 | 84.8 | 155 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 151 | A | 30.6 | Very low | 32.9 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -165.3 | 105.9 | 147.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 152 | F | 35.1 | Very low | 33.6 | Very low | 227 Ų | 227 | 128.6 Ų | 128.6 | 100% | 0.996 | 78% | 0.775 | S | S | * | * | trans | -81.7 | 130.6 | 157.3 | -97.3 | -99 | 0 | 0 | 0 | 108.1 | ||||
| 153 | G | 28.6 | Very low | 34.6 | Very low | 58 Ų | 58 | 129.5 Ų | 129.5 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | trans | -172.6 | 72.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 154 | V | 39 | Very low | 35.4 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | 34.4 | 90.4 | 148.7 | -167 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 155 | F | 30.1 | Very low | 36.1 | Very low | 215 Ų | 215 | 123.8 Ų | 123.8 | 94% | 0.943 | 76% | 0.761 | S | S | * | * | trans | -146.3 | 77.6 | 151.2 | -81.1 | -65.2 | 0 | 0 | 0 | 111.9 | ||||
| 156 | S | 35.4 | Very low | 37 | Very low | 100 Ų | 100 | 114.4 Ų | 114.4 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | -104.1 | 159.2 | 157.4 | 57.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 157 | T | 39.7 | Very low | 38.2 | Very low | 134 Ų | 134 | 115 Ų | 115 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 83.8 | 142 | -176.5 | -30.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 158 | I | 42.6 | Very low | 38.4 | Very low | 164 Ų | 164 | 114 Ų | 114 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | trans | 69.3 | 71.5 | 178.8 | -37.6 | 175.6 | 0 | 0 | 0 | 116 | ||||
| 159 | S | 36.1 | Very low | 40 | Very low | 83 Ų | 83 | 112.6 Ų | 112.6 | 58% | 0.58 | 70% | 0.702 | S | S | * | * | trans | -155.8 | 21.3 | 155.7 | -145.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 160 | T | 46.1 | Very low | 41.4 | Very low | 129 Ų | 129 | 113.4 Ų | 113.4 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -95.8 | -30.7 | -179.5 | 45.4 | 0 | 0 | 0 | 0 | 114.2 | V162 | T160-V162 VanDerWaalsContact C-N 3.27Å; T160-V162 PolarHBondContact O-N 2.9Å |
| 161 | A | 36.1 | Very low | 43.1 | Very low | 85 Ų | 85 | 111.9 Ų | 111.9 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -76.7 | -4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 162 | V | 40.3 | Very low | 45 | Very low | 100 Ų | 100 | 109 Ų | 109 | 61% | 0.606 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -112.3 | -25 | -172.4 | 177.8 | 0 | 0 | 0 | 0 | 113.1 | T160 S164 G166 | T160-V162 VanDerWaalsContact C-N 3.27Å; T160-V162 PolarHBondContact O-N 2.9Å; V162-S164 PolarHBondContact O-N 3.29Å; V162-G166 PolarHBondContact O-N 2.79Å |
| 163 | Q | 47.9 | Very low | 46.8 | Very low | 138 Ų | 138 | 99.8 Ų | 99.8 | 65% | 0.645 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.6 | -38.9 | -173.4 | -71.5 | -174 | -14.8 | 0 | 0 | 113.8 | K167 | Q163-K167 WeakPolarHBondContact O-CG 3.22Å |
| 164 | S | 43.8 | Very low | 48.9 | Very low | 89 Ų | 89 | 98.6 Ų | 98.6 | 62% | 0.622 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.4 | -53 | 177.5 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | V162 G166 K167 | V162-S164 PolarHBondContact O-N 3.29Å; S164-G166 VanDerWaalsContact C-N 3.32Å; S164-G166 PolarHBondContact O-N 3.12Å; S164-K167 PolarHBondContact O-N 3.47Å |
| 165 | T | 44.1 | Very low | 50.5 | Low | 92 Ų | 92 | 95.4 Ų | 95.4 | 56% | 0.564 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61 | -39.3 | -179.8 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | S168 V169 | T165-S168 PolarHBondContact O-N 3.34Å; T165-V169 WeakPolarHBondContact O-CG2 3.45Å; T165-V169 PolarHBondContact O-N 2.6Å |
| 166 | G | 45.1 | Very low | 52.8 | Low | 22 Ų | 22 | 87.3 Ų | 87.3 | 23% | 0.227 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V162 S164 S168 V169 I170 | V162-G166 PolarHBondContact O-N 2.79Å; S164-G166 VanDerWaalsContact C-N 3.32Å; S164-G166 PolarHBondContact O-N 3.12Å; G166-S168 VanDerWaalsContact C-N 3.29Å; G166-S168 PolarHBondContact O-N 3.03Å; G166-V169 PolarHBondContact O-N 3.24Å; G166-I170 WeakPolarHBondContact O-CG1 3.47Å; G166-I170 PolarHBondContact O-N 2.83Å |
| 167 | K | 51.7 | Low | 54.6 | Low | 119 Ų | 119 | 88.3 Ų | 88.3 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -57.9 | -39.9 | 179.7 | -78.3 | -173.3 | -177.2 | -167.6 | 0 | 112.3 | Q163 S164 S171 E220 | Q163-K167 WeakPolarHBondContact O-CG 3.22Å; S164-K167 PolarHBondContact O-N 3.47Å; K167-S171 PolarHBondContact O-N 3.05Å; K167-E220 IonicContact NZ-OE1 3.69Å; K167-E220 PolarHBondContact NZ-OE1 2.67Å |
| 168 | S | 53 | Low | 56.5 | Low | 89 Ų | 89 | 85 Ų | 85 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.3 | -41 | 178.9 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | T165 G166 I170 S171 G172 | T165-S168 PolarHBondContact O-N 3.34Å; G166-S168 VanDerWaalsContact C-N 3.29Å; G166-S168 PolarHBondContact O-N 3.03Å; S168-I170 VanDerWaalsContact C-N 3.33Å; S168-I170 PolarHBondContact O-N 3.33Å; S168-S171 PolarHBondContact O-N 2.74Å; S168-G172 PolarHBondContact O-N 3.29Å |
| 169 | V | 58.5 | Low | 58.2 | Low | 102 Ų | 102 | 83.4 Ų | 83.4 | 62% | 0.618 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -38.9 | 177.2 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | T165 G166 G173 | T165-V169 WeakPolarHBondContact O-CG2 3.45Å; T165-V169 PolarHBondContact O-N 2.6Å; G166-V169 PolarHBondContact O-N 3.24Å; V169-G173 PolarHBondContact O-N 3.31Å |
| 170 | I | 60.2 | Low | 60.3 | Low | 117 Ų | 117 | 84.4 Ų | 84.4 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.7 | -42.2 | 178.3 | -66 | 167.2 | 0 | 0 | 0 | 111.3 | G166 S168 G173 L174 | G166-I170 WeakPolarHBondContact O-CG1 3.47Å; G166-I170 PolarHBondContact O-N 2.83Å; S168-I170 VanDerWaalsContact C-N 3.33Å; S168-I170 PolarHBondContact O-N 3.33Å; I170-G173 PolarHBondContact O-N 2.97Å; I170-L174 PolarHBondContact O-N 3.49Å |
| 171 | S | 61.7 | Low | 61.7 | Low | 53 Ų | 53 | 80.1 Ų | 80.1 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64 | -49.9 | 174.6 | -165.1 | 0 | 0 | 0 | 0 | 111.4 | K167 S168 G173 L174 D175 | K167-S171 PolarHBondContact O-N 3.05Å; S168-S171 PolarHBondContact O-N 2.74Å; S171-G173 PolarHBondContact O-N 3.14Å; S171-L174 WeakPolarHBondContact O-CB 3.48Å; S171-L174 PolarHBondContact O-N 3.49Å; S171-D175 VanDerWaalsContact O-CG 3.22Å; S171-D175 PolarHBondContact O-N 2.71Å; S171-D175 VanDerWaalsContact O-OD2 3.08Å; S171-D175 PolarHBondContact OG-OD2 2.9Å |
| 172 | G | 69 | Low | 63.7 | Low | 41 Ų | 41 | 82 Ų | 82 | 42% | 0.423 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.2 | -33.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S168 A176 | S168-G172 PolarHBondContact O-N 3.29Å; G172-A176 WeakPolarHBondContact O-CB 3.49Å; G172-A176 PolarHBondContact O-N 3.21Å |
| 173 | G | 73.6 | Confident | 65.6 | Low | 33 Ų | 33 | 83 Ų | 83 | 34% | 0.34 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V169 I170 S171 L177 | V169-G173 PolarHBondContact O-N 3.31Å; I170-G173 PolarHBondContact O-N 2.97Å; S171-G173 PolarHBondContact O-N 3.14Å; G173-L177 WeakPolarHBondContact O-CB 3.28Å; G173-L177 WeakPolarHBondContact O-CG 3.44Å; G173-L177 PolarHBondContact O-N 2.74Å |
| 174 | L | 72.2 | Confident | 66.9 | Low | 33 Ų | 33 | 80 Ų | 80 | 17% | 0.173 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -66.8 | -42 | 176.6 | -171.8 | 63.5 | 0 | 0 | 0 | 112 | I170 S171 L177 E178 L212 R213 | I170-L174 PolarHBondContact O-N 3.49Å; S171-L174 WeakPolarHBondContact O-CB 3.48Å; S171-L174 PolarHBondContact O-N 3.49Å; L174-L177 WeakPolarHBondContact O-CB 3.46Å; L174-L177 PolarHBondContact O-N 3.25Å; L174-E178 PolarHBondContact O-N 3.18Å; L174-L212 HydrophobicContact CD1-CB 4.3Å; L174-L212 HydrophobicContact CD1-CD1 3.97Å; L174-L212 HydrophobicContact CD2-CB 4.41Å; L174-R213 HydrophobicContact CD2-CB 4.35Å |
| 175 | D | 73.6 | Confident | 68.2 | Low | 65 Ų | 65 | 78.8 Ų | 78.8 | 35% | 0.348 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.6 | -35.7 | 178.4 | -58.7 | -36.1 | 0 | 0 | 0 | 111.1 | S171 E178 F179 R213 | S171-D175 VanDerWaalsContact O-CG 3.22Å; S171-D175 PolarHBondContact O-N 2.71Å; S171-D175 VanDerWaalsContact O-OD2 3.08Å; S171-D175 PolarHBondContact OG-OD2 2.9Å; D175-E178 PolarHBondContact O-N 3.32Å; D175-F179 WeakPolarHBondContact O-CB 3.43Å; D175-F179 PolarHBondContact O-N 2.86Å; D175-R213 IonicContact OD1-CZ 3.94Å; D175-R213 IonicContact OD1-NH2 2.72Å; D175-R213 PolarHBondContact OD1-NH2 3.02Å |
| 176 | A | 77.3 | Confident | 69.5 | Low | 46 Ų | 46 | 77.3 Ų | 77.3 | 38% | 0.38 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G172 F179 I180 | G172-A176 WeakPolarHBondContact O-CB 3.49Å; G172-A176 PolarHBondContact O-N 3.21Å; A176-F179 PolarHBondContact O-N 3.22Å; A176-I180 WeakPolarHBondContact O-CB 3.42Å; A176-I180 VanDerWaalsContact O-CG1 3.26Å; A176-I180 WeakPolarHBondContact O-CG1 3.45Å; A176-I180 PolarHBondContact O-N 2.85Å |
| 177 | L | 74.6 | Confident | 71.1 | Confident | 121 Ų | 121 | 80.6 Ų | 80.6 | 63% | 0.634 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.4 | -41.4 | 173.3 | -84.7 | 162.3 | 0 | 0 | 0 | 111.9 | G173 L174 G181 | G173-L177 WeakPolarHBondContact O-CB 3.28Å; G173-L177 WeakPolarHBondContact O-CG 3.44Å; G173-L177 PolarHBondContact O-N 2.74Å; L174-L177 WeakPolarHBondContact O-CB 3.46Å; L174-L177 PolarHBondContact O-N 3.25Å; L177-G181 PolarHBondContact O-N 2.79Å |
| 178 | E | 79 | Confident | 71.9 | Confident | 64 Ų | 64 | 79 Ų | 79 | 30% | 0.299 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 172.1 | -173.6 | -178.9 | 141.1 | 0 | 0 | 111 | L174 D175 I180 G181 K182 S209 | L174-E178 PolarHBondContact O-N 3.18Å; D175-E178 PolarHBondContact O-N 3.32Å; E178-I180 PolarHBondContact O-N 3.32Å; E178-G181 PolarHBondContact O-N 3.03Å; E178-K182 WeakPolarHBondContact O-CB 3.21Å; E178-K182 PolarHBondContact O-N 3.27Å; E178-S209 VanDerWaalsContact OE2-CB 3.31Å; E178-S209 WeakPolarHBondContact OE2-CB 3.38Å; E178-S209 PolarHBondContact OE2-OG 3.16Å |
| 179 | F | 78.1 | Confident | 72.5 | Confident | 131 Ų | 131 | 74.9 Ų | 74.9 | 58% | 0.575 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.6 | -45.1 | -179.5 | -177.3 | -99 | 0 | 0 | 0 | 112.4 | D175 A176 K183 | D175-F179 WeakPolarHBondContact O-CB 3.43Å; D175-F179 PolarHBondContact O-N 2.86Å; A176-F179 PolarHBondContact O-N 3.22Å; F179-K183 HydrophobicContact CE1-CD 4.06Å; F179-K183 HydrophobicContact CZ-CD 4.15Å; F179-K183 WeakPolarHBondContact O-CB 3.33Å; F179-K183 PolarHBondContact O-N 3.36Å |
| 180 | I | 80.3 | Confident | 72.9 | Confident | 103 Ų | 103 | 76.9 Ų | 76.9 | 53% | 0.528 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 177 | -69.2 | 165.7 | 0 | 0 | 0 | 110.6 | A176 E178 K183 T184 | A176-I180 WeakPolarHBondContact O-CB 3.42Å; A176-I180 VanDerWaalsContact O-CG1 3.26Å; A176-I180 WeakPolarHBondContact O-CG1 3.45Å; A176-I180 PolarHBondContact O-N 2.85Å; E178-I180 PolarHBondContact O-N 3.32Å; I180-K183 PolarHBondContact O-N 2.82Å; I180-T184 VanDerWaalsContact O-CB 3.28Å; I180-T184 WeakPolarHBondContact O-CB 3.49Å; I180-T184 PolarHBondContact O-N 3.49Å; I180-T184 PolarHBondContact O-OG1 2.96Å |
| 181 | G | 75.6 | Confident | 73.2 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 40% | 0.402 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L177 E178 T184 M185 | L177-G181 PolarHBondContact O-N 2.79Å; E178-G181 PolarHBondContact O-N 3.03Å; G181-T184 PolarHBondContact O-N 3Å; G181-M185 WeakPolarHBondContact O-CB 3.24Å; G181-M185 PolarHBondContact O-N 2.68Å |
| 182 | K | 77.9 | Confident | 73.4 | Confident | 125 Ų | 125 | 75.9 Ų | 75.9 | 54% | 0.543 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.1 | -50.4 | 177.4 | -171.5 | 173.6 | -170.5 | 167.9 | 0 | 111.7 | E178 T184 M185 D186 | E178-K182 WeakPolarHBondContact O-CB 3.21Å; E178-K182 PolarHBondContact O-N 3.27Å; K182-T184 VanDerWaalsContact C-N 3.3Å; K182-T184 PolarHBondContact O-N 3.37Å; K182-M185 CarbonylContact O-C 3.59Å; K182-M185 WeakPolarHBondContact O-CB 3.41Å; K182-M185 PolarHBondContact O-N 2.91Å; K182-M185 VanDerWaalsContact O-N 3.16Å; K182-D186 PolarHBondContact O-N 3.13Å |
| 183 | K | 80.3 | Confident | 73.1 | Confident | 122 Ų | 122 | 78.8 Ų | 78.8 | 53% | 0.53 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65 | -32.9 | 179.4 | -167.6 | 170.2 | -175.3 | 175.8 | 0 | 112.7 | F179 I180 D186 V187 | F179-K183 HydrophobicContact CE1-CD 4.06Å; F179-K183 HydrophobicContact CZ-CD 4.15Å; F179-K183 WeakPolarHBondContact O-CB 3.33Å; F179-K183 PolarHBondContact O-N 3.36Å; I180-K183 PolarHBondContact O-N 2.82Å; K183-D186 PolarHBondContact O-N 3.4Å; K183-V187 WeakPolarHBondContact O-CG2 3.5Å; K183-V187 PolarHBondContact O-N 3.41Å; K183-V187 VanDerWaalsContact O-N 3.11Å |
| 184 | T | 75.5 | Confident | 72.7 | Confident | 74 Ų | 74 | 79 Ų | 79 | 45% | 0.454 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.8 | -43.5 | 173.2 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | I180 G181 K182 D186 V187 I188 | I180-T184 VanDerWaalsContact O-CB 3.28Å; I180-T184 WeakPolarHBondContact O-CB 3.49Å; I180-T184 PolarHBondContact O-N 3.49Å; I180-T184 PolarHBondContact O-OG1 2.96Å; G181-T184 PolarHBondContact O-N 3Å; K182-T184 VanDerWaalsContact C-N 3.3Å; K182-T184 PolarHBondContact O-N 3.37Å; T184-D186 VanDerWaalsContact C-N 3.28Å; T184-D186 PolarHBondContact O-N 3.46Å; T184-V187 PolarHBondContact O-N 3.47Å; T184-I188 HydrophobicContact CG2-CD1 3.9Å; T184-I188 VanDerWaalsContact O-CG1 3.31Å; T184-I188 WeakPolarHBondContact O-CG1 3.48Å; T184-I188 PolarHBondContact O-N 3.1Å |
| 185 | M | 70.5 | Confident | 72.3 | Confident | 63 Ų | 63 | 79.9 Ų | 79.9 | 31% | 0.31 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.1 | -35.1 | 173.6 | -169.9 | 76.9 | 73 | 0 | 0 | 112.3 | G181 K182 A189 F195 M202 | G181-M185 WeakPolarHBondContact O-CB 3.24Å; G181-M185 PolarHBondContact O-N 2.68Å; K182-M185 CarbonylContact O-C 3.59Å; K182-M185 WeakPolarHBondContact O-CB 3.41Å; K182-M185 PolarHBondContact O-N 2.91Å; K182-M185 VanDerWaalsContact O-N 3.16Å; M185-A189 VanDerWaalsContact O-CB 3.27Å; M185-A189 WeakPolarHBondContact O-CB 3.21Å; M185-A189 PolarHBondContact O-N 3.48Å; M185-A189 VanDerWaalsContact O-N 3.09Å; M185-F195 HydrophobicContact CG-CE1 4.36Å; M185-F195 HydrophobicContact SD-CE1 3.56Å; M185-F195 VanDerWaalsContact SD-CE1 3.56Å; M185-F195 HydrophobicContact SD-CZ 3.51Å; M185-F195 VanDerWaalsContact SD-CZ 3.51Å; M185-M202 HydrophobicContact CE-CE 3.86Å |
| 186 | D | 71.5 | Confident | 71.9 | Confident | 62 Ų | 62 | 82.4 Ų | 82.4 | 33% | 0.332 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.9 | -51.6 | 174 | -66.1 | -31.4 | 0 | 0 | 0 | 111.3 | K182 K183 T184 I188 A189 E190 K199 | K182-D186 PolarHBondContact O-N 3.13Å; K183-D186 PolarHBondContact O-N 3.4Å; T184-D186 VanDerWaalsContact C-N 3.28Å; T184-D186 PolarHBondContact O-N 3.46Å; D186-I188 PolarHBondContact O-N 3.02Å; D186-A189 WeakPolarHBondContact O-CB 3.45Å; D186-A189 PolarHBondContact O-N 2.94Å; D186-E190 PolarHBondContact O-N 3.43Å; D186-K199 IonicContact OD1-NZ 2.6Å; D186-K199 PolarHBondContact OD1-NZ 3.34Å |
| 187 | V | 78.9 | Confident | 71.2 | Confident | 90 Ų | 90 | 90.7 Ų | 90.7 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 179.6 | 172.2 | 0 | 0 | 0 | 0 | 112.4 | K183 T184 A189 E190 G191 | K183-V187 WeakPolarHBondContact O-CG2 3.5Å; K183-V187 PolarHBondContact O-N 3.41Å; K183-V187 VanDerWaalsContact O-N 3.11Å; T184-V187 PolarHBondContact O-N 3.47Å; V187-A189 VanDerWaalsContact C-N 3.33Å; V187-A189 PolarHBondContact O-N 3.07Å; V187-E190 PolarHBondContact O-N 3.23Å; V187-E190 VanDerWaalsContact O-N 3.15Å; V187-G191 PolarHBondContact O-N 2.92Å; V187-G191 VanDerWaalsContact O-N 3.17Å |
| 188 | I | 69.1 | Low | 70.5 | Confident | 86 Ų | 86 | 88.5 Ų | 88.5 | 44% | 0.441 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 174.5 | -69.1 | 168.5 | 0 | 0 | 0 | 110.6 | T184 D186 E190 G191 D192 F195 | T184-I188 HydrophobicContact CG2-CD1 3.9Å; T184-I188 VanDerWaalsContact O-CG1 3.31Å; T184-I188 WeakPolarHBondContact O-CG1 3.48Å; T184-I188 PolarHBondContact O-N 3.1Å; D186-I188 PolarHBondContact O-N 3.02Å; I188-E190 PolarHBondContact O-N 3.28Å; I188-G191 PolarHBondContact O-N 3.2Å; I188-D192 PolarHBondContact O-N 3.42Å; I188-F195 HydrophobicContact CB-CE1 4.48Å; I188-F195 HydrophobicContact CG2-CD1 3.97Å; I188-F195 HydrophobicContact CG2-CE1 3.89Å; I188-F195 HydrophobicContact CG2-CG 4.31Å; I188-F195 HydrophobicContact CG2-CZ 4.18Å |
| 189 | A | 65.1 | Low | 69.8 | Low | 3 Ų | 3 | 88 Ų | 88 | 3% | 0.025 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -64.6 | -26.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M185 D186 V187 F195 K196 K199 | M185-A189 VanDerWaalsContact O-CB 3.27Å; M185-A189 WeakPolarHBondContact O-CB 3.21Å; M185-A189 PolarHBondContact O-N 3.48Å; M185-A189 VanDerWaalsContact O-N 3.09Å; D186-A189 WeakPolarHBondContact O-CB 3.45Å; D186-A189 PolarHBondContact O-N 2.94Å; V187-A189 VanDerWaalsContact C-N 3.33Å; V187-A189 PolarHBondContact O-N 3.07Å; A189-F195 HydrophobicContact CB-CD1 3.91Å; A189-F195 HydrophobicContact CB-CE1 4.47Å; A189-K196 HydrophobicContact CB-CG 4.33Å; A189-K196 WeakPolarHBondContact O-CE 3.31Å; A189-K196 WeakPolarHBondContact O-CG 3.09Å; A189-K199 HydrophobicContact CB-CD 3.81Å |
| 190 | E | 66.7 | Low | 68.9 | Low | 144 Ų | 144 | 84 Ų | 84 | 67% | 0.673 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -75.5 | -31.4 | 173.4 | -71.8 | 178.1 | 170.8 | 0 | 0 | 112.8 | D186 V187 I188 | D186-E190 PolarHBondContact O-N 3.43Å; V187-E190 PolarHBondContact O-N 3.23Å; V187-E190 VanDerWaalsContact O-N 3.15Å; I188-E190 PolarHBondContact O-N 3.28Å |
| 191 | G | 66.6 | Low | 67.9 | Low | 69 Ų | 69 | 84.9 Ų | 84.9 | 71% | 0.711 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -74.2 | -34 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | V187 I188 | V187-G191 PolarHBondContact O-N 2.92Å; V187-G191 VanDerWaalsContact O-N 3.17Å; I188-G191 PolarHBondContact O-N 3.2Å |
| 192 | D | 65.7 | Low | 67 | Low | 80 Ų | 80 | 87.9 Ų | 87.9 | 43% | 0.428 | 47% | 0.472 | S | S | . | . | trans | -120.3 | 112.7 | 178.2 | 176.7 | 23 | 0 | 0 | 0 | 113 | I188 G194 F195 | I188-D192 PolarHBondContact O-N 3.42Å; D192-G194 PolarHBondContact O-N 3.13Å; D192-G194 PolarHBondContact OD1-N 2.84Å; D192-F195 HydrophobicContact CB-CB 3.96Å; D192-F195 PolarHBondContact O-N 2.95Å; D192-F195 WeakPolarHBondContact OD2-CB 3.31Å; D192-F195 PolarHBondContact OD2-N 3Å | ||
| 193 | P | 63.1 | Low | 66 | Low | 102 Ų | 102 | 88.5 Ų | 88.5 | 66% | 0.662 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26 | 172.4 | -24.3 | 34.9 | 0 | 0 | 0 | 114.9 | ||
| 194 | G | 64.1 | Low | 64.9 | Low | 37 Ų | 37 | 92.3 Ų | 92.3 | 38% | 0.381 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -50.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D192 K196 R197 | D192-G194 PolarHBondContact O-N 3.13Å; D192-G194 PolarHBondContact OD1-N 2.84Å; G194-K196 PolarHBondContact O-N 2.91Å; G194-K196 VanDerWaalsContact O-N 3.13Å; G194-R197 PolarHBondContact O-N 3.22Å |
| 195 | F | 65.7 | Low | 64.1 | Low | 51 Ų | 51 | 94.9 Ų | 94.9 | 22% | 0.224 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -55.7 | -29.2 | 179.6 | -163.5 | -101.1 | 0 | 0 | 0 | 114.2 | M185 I188 A189 D192 R197 T198 K199 | M185-F195 HydrophobicContact CG-CE1 4.36Å; M185-F195 HydrophobicContact SD-CE1 3.56Å; M185-F195 VanDerWaalsContact SD-CE1 3.56Å; M185-F195 HydrophobicContact SD-CZ 3.51Å; M185-F195 VanDerWaalsContact SD-CZ 3.51Å; I188-F195 HydrophobicContact CB-CE1 4.48Å; I188-F195 HydrophobicContact CG2-CD1 3.97Å; I188-F195 HydrophobicContact CG2-CE1 3.89Å; I188-F195 HydrophobicContact CG2-CG 4.31Å; I188-F195 HydrophobicContact CG2-CZ 4.18Å; A189-F195 HydrophobicContact CB-CD1 3.91Å; A189-F195 HydrophobicContact CB-CE1 4.47Å; D192-F195 HydrophobicContact CB-CB 3.96Å; D192-F195 PolarHBondContact O-N 2.95Å; D192-F195 WeakPolarHBondContact OD2-CB 3.31Å; D192-F195 PolarHBondContact OD2-N 3Å; F195-R197 PolarHBondContact O-N 2.97Å; F195-T198 PolarHBondContact O-N 3.4Å; F195-T198 VanDerWaalsContact O-N 3.08Å; F195-K199 PolarHBondContact O-N 3.22Å |
| 196 | K | 63.6 | Low | 63.7 | Low | 119 Ų | 119 | 94.7 Ų | 94.7 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.1 | -33 | 174.7 | -64.4 | -168.9 | -179.9 | -174.7 | 0 | 113.2 | A189 G194 | A189-K196 HydrophobicContact CB-CG 4.33Å; A189-K196 WeakPolarHBondContact O-CE 3.31Å; A189-K196 WeakPolarHBondContact O-CG 3.09Å; G194-K196 PolarHBondContact O-N 2.91Å; G194-K196 VanDerWaalsContact O-N 3.13Å |
| 197 | R | 63.7 | Low | 63.7 | Low | 220 Ų | 220 | 94.8 Ų | 94.8 | 83% | 0.83 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -73 | -42 | 175.2 | -70.2 | -179.6 | 174.9 | 152.7 | -0.8 | 111.8 | G194 F195 G200 | G194-R197 PolarHBondContact O-N 3.22Å; F195-R197 PolarHBondContact O-N 2.97Å; R197-G200 PolarHBondContact O-N 3.26Å |
| 198 | T | 59.6 | Low | 63.2 | Low | 74 Ų | 74 | 96.7 Ų | 96.7 | 45% | 0.454 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | -178.9 | -30.8 | 0 | 0 | 0 | 0 | 111.9 | F195 G200 L201 M202 | F195-T198 PolarHBondContact O-N 3.4Å; F195-T198 VanDerWaalsContact O-N 3.08Å; T198-G200 VanDerWaalsContact C-N 3.29Å; T198-G200 PolarHBondContact O-N 3.39Å; T198-L201 WeakPolarHBondContact O-CA 3.37Å; T198-L201 VanDerWaalsContact O-CB 3.28Å; T198-L201 WeakPolarHBondContact O-CB 3.25Å; T198-L201 PolarHBondContact O-N 3.34Å; T198-M202 PolarHBondContact O-N 3.01Å |
| 199 | K | 64 | Low | 63.4 | Low | 54 Ų | 54 | 93 Ų | 93 | 24% | 0.235 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -55.3 | -41.9 | 174.2 | -177.7 | 179.4 | 178.1 | -178.6 | 0 | 112.6 | D186 A189 F195 L201 M202 N203 | D186-K199 IonicContact OD1-NZ 2.6Å; D186-K199 PolarHBondContact OD1-NZ 3.34Å; A189-K199 HydrophobicContact CB-CD 3.81Å; F195-K199 PolarHBondContact O-N 3.22Å; K199-L201 PolarHBondContact O-N 3.38Å; K199-M202 PolarHBondContact O-N 3.12Å; K199-N203 PolarHBondContact O-N 3.37Å |
| 200 | G | 59.3 | Low | 64 | Low | 46 Ų | 46 | 97.7 Ų | 97.7 | 47% | 0.474 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -14.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | R197 T198 | R197-G200 PolarHBondContact O-N 3.26Å; T198-G200 VanDerWaalsContact C-N 3.29Å; T198-G200 PolarHBondContact O-N 3.39Å |
| 201 | L | 58.4 | Low | 64.6 | Low | 123 Ų | 123 | 94.1 Ų | 94.1 | 64% | 0.644 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -86.4 | -44.6 | 171.8 | -157.1 | 79.5 | 0 | 0 | 0 | 111.3 | T198 K199 N203 R204 | T198-L201 WeakPolarHBondContact O-CA 3.37Å; T198-L201 VanDerWaalsContact O-CB 3.28Å; T198-L201 WeakPolarHBondContact O-CB 3.25Å; T198-L201 PolarHBondContact O-N 3.34Å; K199-L201 PolarHBondContact O-N 3.38Å; L201-N203 PolarHBondContact O-N 2.81Å; L201-R204 PolarHBondContact O-N 2.84Å |
| 202 | M | 57 | Low | 65.1 | Low | 101 Ų | 101 | 95 Ų | 95 | 50% | 0.498 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -29.4 | -179.6 | -69.4 | 173.4 | 64.6 | 0 | 0 | 113.1 | M185 T198 K199 R204 N205 | M185-M202 HydrophobicContact CE-CE 3.86Å; T198-M202 PolarHBondContact O-N 3.01Å; K199-M202 PolarHBondContact O-N 3.12Å; M202-R204 PolarHBondContact O-N 3.49Å; M202-N205 PolarHBondContact O-N 3.32Å |
| 203 | N | 57.1 | Low | 65.7 | Low | 138 Ų | 138 | 95.1 Ų | 95.1 | 74% | 0.738 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | 12.9 | 179.9 | -141.7 | 92 | 0 | 0 | 0 | 114.7 | K199 L201 | K199-N203 PolarHBondContact O-N 3.37Å; L201-N203 PolarHBondContact O-N 2.81Å |
| 204 | R | 57.9 | Low | 66.6 | Low | 202 Ų | 202 | 95.7 Ų | 95.7 | 76% | 0.762 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.4 | -9.8 | 171.7 | -72.2 | -172.8 | 163.9 | 97.3 | -3.5 | 114 | L201 M202 | L201-R204 PolarHBondContact O-N 2.84Å; M202-R204 PolarHBondContact O-N 3.49Å |
| 205 | N | 58.7 | Low | 67.3 | Low | 129 Ų | 129 | 96.5 Ų | 96.5 | 69% | 0.69 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -100.5 | 146.9 | 176.7 | -62.4 | 10.7 | 0 | 0 | 0 | 108.8 | M202 | M202-N205 PolarHBondContact O-N 3.32Š|
| 206 | A | 62.3 | Low | 67.9 | Low | 59 Ų | 59 | 98.3 Ų | 98.3 | 49% | 0.488 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 142.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V211 | A206-V211 HydrophobicContact CB-CG2 3.88Š|
| 207 | T | 71.3 | Confident | 68.7 | Low | 63 Ų | 63 | 97.4 Ų | 97.4 | 39% | 0.387 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 151.2 | 177.6 | 56.7 | 0 | 0 | 0 | 0 | 110.6 | S209 Q210 V211 | T207-S209 WeakPolarHBondContact CB-OG 3.29Å; T207-S209 PolarHBondContact O-N 3.15Å; T207-S209 PolarHBondContact OG1-OG 2.88Å; T207-Q210 WeakPolarHBondContact O-CB 3.42Å; T207-Q210 PolarHBondContact O-N 3.44Å; T207-Q210 WeakPolarHBondContact OG1-CB 3.27Å; T207-Q210 PolarHBondContact OG1-N 3.5Å; T207-V211 PolarHBondContact O-N 3.19Å |
| 208 | L | 69.4 | Low | 69.5 | Low | 131 Ų | 131 | 94.3 Ų | 94.3 | 69% | 0.686 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.2 | -32.7 | 175.8 | -176.7 | 61.7 | 0 | 0 | 0 | 111.8 | V211 L212 | L208-V211 PolarHBondContact O-N 3.06Å; L208-L212 HydrophobicContact CD1-CD1 4.19Å; L208-L212 HydrophobicContact CD1-CG 4.15Å; L208-L212 HydrophobicContact CG-CD1 3.9Å; L208-L212 HydrophobicContact CG-CG 4.32Å; L208-L212 VanDerWaalsContact O-CB 3.31Å; L208-L212 WeakPolarHBondContact O-CB 3.5Å; L208-L212 WeakPolarHBondContact O-CG 3.29Å; L208-L212 PolarHBondContact O-N 3.33Å |
| 209 | S | 71.4 | Confident | 70.1 | Confident | 9 Ų | 9 | 96.5 Ų | 96.5 | 6% | 0.063 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 171.5 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | E178 T207 R213 | E178-S209 VanDerWaalsContact OE2-CB 3.31Å; E178-S209 WeakPolarHBondContact OE2-CB 3.38Å; E178-S209 PolarHBondContact OE2-OG 3.16Å; T207-S209 WeakPolarHBondContact CB-OG 3.29Å; T207-S209 PolarHBondContact O-N 3.15Å; T207-S209 PolarHBondContact OG1-OG 2.88Å; S209-R213 VanDerWaalsContact O-CB 3.27Å; S209-R213 WeakPolarHBondContact O-CB 3.45Å; S209-R213 PolarHBondContact O-N 3.18Å |
| 210 | Q | 77.6 | Confident | 70.4 | Confident | 101 Ų | 101 | 97.5 Ų | 97.5 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 175.4 | -177.6 | 178.5 | -2 | 0 | 0 | 111.2 | T207 L212 R213 E214 | T207-Q210 WeakPolarHBondContact O-CB 3.42Å; T207-Q210 PolarHBondContact O-N 3.44Å; T207-Q210 WeakPolarHBondContact OG1-CB 3.27Å; T207-Q210 PolarHBondContact OG1-N 3.5Å; Q210-L212 PolarHBondContact O-N 3.41Å; Q210-R213 PolarHBondContact O-N 3.07Å; Q210-E214 WeakPolarHBondContact O-CB 3.48Å; Q210-E214 PolarHBondContact O-N 2.9Å |
| 211 | V | 80.8 | Confident | 70.8 | Confident | 68 Ų | 68 | 100.2 Ų | 100.2 | 41% | 0.412 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | -180 | 176.8 | 0 | 0 | 0 | 0 | 111.9 | A206 T207 L208 A215 | A206-V211 HydrophobicContact CB-CG2 3.88Å; T207-V211 PolarHBondContact O-N 3.19Å; L208-V211 PolarHBondContact O-N 3.06Å; V211-A215 VanDerWaalsContact O-CB 3.29Å; V211-A215 WeakPolarHBondContact O-CB 3.44Å; V211-A215 PolarHBondContact O-N 3.46Å |
| 212 | L | 76.3 | Confident | 71.1 | Confident | 87 Ų | 87 | 102 Ų | 102 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.6 | -34.5 | 175.4 | -72 | 171.6 | 0 | 0 | 0 | 112.3 | L174 L208 Q210 K216 | L174-L212 HydrophobicContact CD1-CB 4.3Å; L174-L212 HydrophobicContact CD1-CD1 3.97Å; L174-L212 HydrophobicContact CD2-CB 4.41Å; L208-L212 HydrophobicContact CD1-CD1 4.19Å; L208-L212 HydrophobicContact CD1-CG 4.15Å; L208-L212 HydrophobicContact CG-CD1 3.9Å; L208-L212 HydrophobicContact CG-CG 4.32Å; L208-L212 VanDerWaalsContact O-CB 3.31Å; L208-L212 WeakPolarHBondContact O-CB 3.5Å; L208-L212 WeakPolarHBondContact O-CG 3.29Å; L208-L212 PolarHBondContact O-N 3.33Å; Q210-L212 PolarHBondContact O-N 3.41Å; L212-K216 WeakPolarHBondContact O-CB 3.36Å; L212-K216 PolarHBondContact O-N 3.03Å |
| 213 | R | 79.4 | Confident | 70.9 | Confident | 84 Ų | 84 | 101 Ų | 101 | 32% | 0.317 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 174.3 | -166.2 | -176.8 | -64.7 | 128.9 | -1.2 | 111.1 | L174 D175 S209 Q210 A215 K216 E217 | L174-R213 HydrophobicContact CD2-CB 4.35Å; D175-R213 IonicContact OD1-CZ 3.94Å; D175-R213 IonicContact OD1-NH2 2.72Å; D175-R213 PolarHBondContact OD1-NH2 3.02Å; S209-R213 VanDerWaalsContact O-CB 3.27Å; S209-R213 WeakPolarHBondContact O-CB 3.45Å; S209-R213 PolarHBondContact O-N 3.18Å; Q210-R213 PolarHBondContact O-N 3.07Å; R213-A215 PolarHBondContact O-N 2.62Å; R213-K216 PolarHBondContact O-N 3.27Å; R213-E217 VanDerWaalsContact CG-OE1 3.31Å; R213-E217 WeakPolarHBondContact CG-OE1 3.38Å; R213-E217 WeakPolarHBondContact O-CB 3.46Å; R213-E217 WeakPolarHBondContact O-CG 3.21Å; R213-E217 PolarHBondContact O-N 2.9Å |
| 214 | E | 80.4 | Confident | 70.8 | Confident | 114 Ų | 114 | 97.7 Ų | 97.7 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.9 | -43.6 | 175.1 | -175.1 | -175.8 | 155.9 | 0 | 0 | 112 | Q210 E217 K218 | Q210-E214 WeakPolarHBondContact O-CB 3.48Å; Q210-E214 PolarHBondContact O-N 2.9Å; E214-E217 PolarHBondContact O-N 3.27Å; E214-K218 VanDerWaalsContact O-CB 3.24Å; E214-K218 WeakPolarHBondContact O-CB 3.18Å; E214-K218 PolarHBondContact O-N 3.39Å |
| 215 | A | 80.1 | Confident | 70.5 | Confident | 54 Ų | 54 | 92.4 Ų | 92.4 | 45% | 0.446 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V211 R213 K218 E219 | V211-A215 VanDerWaalsContact O-CB 3.29Å; V211-A215 WeakPolarHBondContact O-CB 3.44Å; V211-A215 PolarHBondContact O-N 3.46Å; R213-A215 PolarHBondContact O-N 2.62Å; A215-K218 PolarHBondContact O-N 3.39Å; A215-E219 PolarHBondContact O-N 2.8Å |
| 216 | K | 78.4 | Confident | 70.2 | Confident | 89 Ų | 89 | 91 Ų | 91 | 39% | 0.387 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.2 | -42 | 177.9 | -172.6 | -142.1 | 162.5 | -121.4 | 0 | 112.2 | L212 R213 K218 E219 E220 | L212-K216 WeakPolarHBondContact O-CB 3.36Å; L212-K216 PolarHBondContact O-N 3.03Å; R213-K216 PolarHBondContact O-N 3.27Å; K216-K218 VanDerWaalsContact C-N 3.3Å; K216-K218 PolarHBondContact O-N 2.84Å; K216-E219 PolarHBondContact O-N 2.99Å; K216-E220 IonicContact NZ-OE2 2.7Å; K216-E220 PolarHBondContact NZ-OE2 3.28Å; K216-E220 WeakPolarHBondContact O-CB 3.26Å; K216-E220 PolarHBondContact O-N 2.73Å |
| 217 | E | 79.8 | Confident | 69.9 | Low | 100 Ų | 100 | 92.6 Ų | 92.6 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 175.3 | -75.2 | 168.8 | -170.1 | 0 | 0 | 110.8 | R213 E214 E220 I221 | R213-E217 VanDerWaalsContact CG-OE1 3.31Å; R213-E217 WeakPolarHBondContact CG-OE1 3.38Å; R213-E217 WeakPolarHBondContact O-CB 3.46Å; R213-E217 WeakPolarHBondContact O-CG 3.21Å; R213-E217 PolarHBondContact O-N 2.9Å; E214-E217 PolarHBondContact O-N 3.27Å; E217-E220 PolarHBondContact O-N 2.64Å; E217-I221 WeakPolarHBondContact O-CB 3.33Å; E217-I221 WeakPolarHBondContact O-CD1 3.23Å; E217-I221 VanDerWaalsContact O-CG1 3.23Å; E217-I221 WeakPolarHBondContact O-CG1 3.5Å; E217-I221 PolarHBondContact O-N 3.1Å |
| 218 | K | 80.4 | Confident | 69 | Low | 154 Ų | 154 | 92.6 Ų | 92.6 | 67% | 0.67 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66.6 | -37.4 | 174.9 | -170.6 | 173.5 | -176 | 175.1 | 0 | 113.2 | E214 A215 K216 W222 | E214-K218 VanDerWaalsContact O-CB 3.24Å; E214-K218 WeakPolarHBondContact O-CB 3.18Å; E214-K218 PolarHBondContact O-N 3.39Å; A215-K218 PolarHBondContact O-N 3.39Å; K216-K218 VanDerWaalsContact C-N 3.3Å; K216-K218 PolarHBondContact O-N 2.84Å; K218-W222 VanDerWaalsContact O-CB 3.27Å; K218-W222 WeakPolarHBondContact O-CB 3.21Å; K218-W222 PolarHBondContact O-N 2.82Å |
| 219 | E | 72.8 | Confident | 68.2 | Low | 121 Ų | 121 | 90.6 Ų | 90.6 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.8 | -45 | 172.3 | -175.5 | -179.5 | -167.3 | 0 | 0 | 111.4 | A215 K216 I221 W222 N223 | A215-E219 PolarHBondContact O-N 2.8Å; K216-E219 PolarHBondContact O-N 2.99Å; E219-I221 PolarHBondContact O-N 2.96Å; E219-W222 PolarHBondContact O-N 2.99Å; E219-N223 PolarHBondContact O-N 3.41Å; E219-N223 PolarHBondContact O-OD1 2.69Å |
| 220 | E | 70.3 | Confident | 67.4 | Low | 75 Ų | 75 | 94.6 Ų | 94.6 | 35% | 0.35 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 178.5 | -166.8 | 155 | -161.8 | 0 | 0 | 111.5 | K167 K216 E217 S224 | K167-E220 IonicContact NZ-OE1 3.69Å; K167-E220 PolarHBondContact NZ-OE1 2.67Å; K216-E220 IonicContact NZ-OE2 2.7Å; K216-E220 PolarHBondContact NZ-OE2 3.28Å; K216-E220 WeakPolarHBondContact O-CB 3.26Å; K216-E220 PolarHBondContact O-N 2.73Å; E217-E220 PolarHBondContact O-N 2.64Å; E220-S224 WeakPolarHBondContact O-CB 3.48Å; E220-S224 PolarHBondContact O-N 2.77Å; E220-S224 VanDerWaalsContact O-N 3.11Å; E220-S224 PolarHBondContact O-OG 2.98Å; E220-S224 VanDerWaalsContact O-OG 3.04Å |
| 221 | I | 68.3 | Low | 66.2 | Low | 102 Ų | 102 | 93.4 Ų | 93.4 | 52% | 0.523 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.8 | -42.9 | 170.9 | -68.3 | 161.8 | 0 | 0 | 0 | 112 | E217 E219 S224 N225 | E217-I221 WeakPolarHBondContact O-CB 3.33Å; E217-I221 WeakPolarHBondContact O-CD1 3.23Å; E217-I221 VanDerWaalsContact O-CG1 3.23Å; E217-I221 WeakPolarHBondContact O-CG1 3.5Å; E217-I221 PolarHBondContact O-N 3.1Å; E219-I221 PolarHBondContact O-N 2.96Å; I221-S224 PolarHBondContact O-N 2.72Å; I221-N225 WeakPolarHBondContact O-CB 3.31Å; I221-N225 VanDerWaalsContact O-CG 3.25Å; I221-N225 PolarHBondContact O-N 3.32Å |
| 222 | W | 63.6 | Low | 64.9 | Low | 162 Ų | 162 | 95.2 Ų | 95.2 | 61% | 0.614 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.6 | -46.5 | -178.3 | -172.5 | 65.1 | 0 | 0 | 0 | 111.5 | K218 E219 S224 N225 E226 | K218-W222 VanDerWaalsContact O-CB 3.27Å; K218-W222 WeakPolarHBondContact O-CB 3.21Å; K218-W222 PolarHBondContact O-N 2.82Å; E219-W222 PolarHBondContact O-N 2.99Å; W222-S224 VanDerWaalsContact C-N 3.35Å; W222-S224 PolarHBondContact O-N 3.22Å; W222-N225 PolarHBondContact O-N 3.45Å; W222-E226 PolarHBondContact O-N 3.32Å |
| 223 | N | 53.4 | Low | 63.8 | Low | 79 Ų | 79 | 96.6 Ų | 96.6 | 42% | 0.422 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 175 | -70.5 | 27.4 | 0 | 0 | 0 | 112 | E219 E226 V227 | E219-N223 PolarHBondContact O-N 3.41Å; E219-N223 PolarHBondContact O-OD1 2.69Å; N223-E226 PolarHBondContact O-N 3.45Å; N223-V227 VanDerWaalsContact O-CG2 3.31Å; N223-V227 WeakPolarHBondContact O-CG2 3.46Å; N223-V227 PolarHBondContact O-N 2.84Å |
| 224 | S | 53.8 | Low | 62.8 | Low | 68 Ų | 68 | 98.5 Ų | 98.5 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 174.5 | -71 | 0 | 0 | 0 | 0 | 112.1 | E220 I221 W222 V227 T228 | E220-S224 WeakPolarHBondContact O-CB 3.48Å; E220-S224 PolarHBondContact O-N 2.77Å; E220-S224 VanDerWaalsContact O-N 3.11Å; E220-S224 PolarHBondContact O-OG 2.98Å; E220-S224 VanDerWaalsContact O-OG 3.04Å; I221-S224 PolarHBondContact O-N 2.72Å; W222-S224 VanDerWaalsContact C-N 3.35Å; W222-S224 PolarHBondContact O-N 3.22Å; S224-V227 PolarHBondContact O-N 3.27Å; S224-T228 PolarHBondContact O-N 3.32Å; S224-T228 PolarHBondContact O-OG1 3.4Å |
| 225 | N | 52.9 | Low | 62.2 | Low | 91 Ų | 91 | 95.1 Ų | 95.1 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.7 | -34.3 | 179 | -68.9 | -8.4 | 0 | 0 | 0 | 112.6 | I221 W222 T228 M229 | I221-N225 WeakPolarHBondContact O-CB 3.31Å; I221-N225 VanDerWaalsContact O-CG 3.25Å; I221-N225 PolarHBondContact O-N 3.32Å; W222-N225 PolarHBondContact O-N 3.45Å; N225-T228 PolarHBondContact O-OG1 3.16Å; N225-T228 VanDerWaalsContact O-OG1 3.11Å; N225-M229 VanDerWaalsContact O-CB 3.27Å; N225-M229 WeakPolarHBondContact O-CB 3.48Å; N225-M229 WeakPolarHBondContact O-CG 3.28Å; N225-M229 PolarHBondContact O-N 2.93Å |
| 226 | E | 50.9 | Low | 62.6 | Low | 99 Ų | 99 | 97.8 Ų | 97.8 | 46% | 0.463 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.6 | -39 | 175.1 | -172.9 | 150.8 | -120.7 | 0 | 0 | 111.4 | W222 N223 M229 E230 | W222-E226 PolarHBondContact O-N 3.32Å; N223-E226 PolarHBondContact O-N 3.45Å; E226-M229 PolarHBondContact O-N 3.05Å; E226-E230 PolarHBondContact O-N 3.16Å |
| 227 | V | 55.9 | Low | 63.4 | Low | 93 Ų | 93 | 93.9 Ų | 93.9 | 56% | 0.564 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.3 | -44.4 | 173.1 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | N223 S224 E230 T231 | N223-V227 VanDerWaalsContact O-CG2 3.31Å; N223-V227 WeakPolarHBondContact O-CG2 3.46Å; N223-V227 PolarHBondContact O-N 2.84Å; S224-V227 PolarHBondContact O-N 3.27Å; V227-E230 PolarHBondContact O-N 2.87Å; V227-T231 PolarHBondContact O-N 3.02Å; V227-T231 PolarHBondContact O-OG1 3.36Å |
| 228 | T | 53.3 | Low | 63.9 | Low | 64 Ų | 64 | 90.6 Ų | 90.6 | 39% | 0.393 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 177.1 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | S224 N225 E230 T231 E232 | S224-T228 PolarHBondContact O-N 3.32Å; S224-T228 PolarHBondContact O-OG1 3.4Å; N225-T228 PolarHBondContact O-OG1 3.16Å; N225-T228 VanDerWaalsContact O-OG1 3.11Å; T228-E230 VanDerWaalsContact C-N 3.27Å; T228-E230 PolarHBondContact O-N 3.49Å; T228-T231 WeakPolarHBondContact CA-OG1 3.27Å; T228-T231 PolarHBondContact O-N 3Å; T228-T231 VanDerWaalsContact O-N 3.14Å; T228-T231 PolarHBondContact O-OG1 3.4Å; T228-E232 WeakPolarHBondContact O-CG 3.36Å; T228-E232 PolarHBondContact O-N 3Å |
| 229 | M | 52.8 | Low | 64.5 | Low | 89 Ų | 89 | 87.9 Ų | 87.9 | 44% | 0.438 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.3 | -35.2 | 173.6 | -72.9 | -95.9 | 87.1 | 0 | 0 | 112.5 | N225 E226 E232 K233 | N225-M229 VanDerWaalsContact O-CB 3.27Å; N225-M229 WeakPolarHBondContact O-CB 3.48Å; N225-M229 WeakPolarHBondContact O-CG 3.28Å; N225-M229 PolarHBondContact O-N 2.93Å; E226-M229 PolarHBondContact O-N 3.05Å; M229-E232 WeakPolarHBondContact CE-OE2 3.45Å; M229-K233 WeakPolarHBondContact O-CB 3.49Å; M229-K233 WeakPolarHBondContact O-CD 3.26Å; M229-K233 WeakPolarHBondContact O-CE 3.37Å; M229-K233 WeakPolarHBondContact O-CG 3.45Å; M229-K233 PolarHBondContact O-N 2.92Å |
| 230 | E | 53.3 | Low | 65.5 | Low | 93 Ų | 93 | 82.5 Ų | 82.5 | 44% | 0.435 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.9 | -44.2 | 172.5 | -87.2 | -158.4 | -168.8 | 0 | 0 | 112.5 | E226 V227 T228 K233 K234 | E226-E230 PolarHBondContact O-N 3.16Å; V227-E230 PolarHBondContact O-N 2.87Å; T228-E230 VanDerWaalsContact C-N 3.27Å; T228-E230 PolarHBondContact O-N 3.49Å; E230-K233 PolarHBondContact O-N 3.4Å; E230-K234 WeakPolarHBondContact O-CB 3.17Å; E230-K234 WeakPolarHBondContact O-CD 3.46Å; E230-K234 VanDerWaalsContact O-CG 3.25Å; E230-K234 WeakPolarHBondContact O-CG 3.31Å; E230-K234 PolarHBondContact O-N 3.39Å; E230-K234 IonicContact OE2-NZ 3.81Å; E230-K234 PolarHBondContact OE2-NZ 3.42Å |
| 231 | T | 53.8 | Low | 66.8 | Low | 76 Ų | 76 | 79 Ų | 79 | 47% | 0.466 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 178.4 | 43.5 | 0 | 0 | 0 | 0 | 112 | V227 T228 K233 K234 T235 | V227-T231 PolarHBondContact O-N 3.02Å; V227-T231 PolarHBondContact O-OG1 3.36Å; T228-T231 WeakPolarHBondContact CA-OG1 3.27Å; T228-T231 PolarHBondContact O-N 3Å; T228-T231 VanDerWaalsContact O-N 3.14Å; T228-T231 PolarHBondContact O-OG1 3.4Å; T231-K233 PolarHBondContact O-N 2.98Å; T231-K234 CarbonylContact O-C 3.55Å; T231-K234 WeakPolarHBondContact O-CB 3.27Å; T231-K234 PolarHBondContact O-N 3.22Å; T231-K234 VanDerWaalsContact O-N 3.13Å; T231-T235 WeakPolarHBondContact O-CG2 3.46Å; T231-T235 PolarHBondContact O-N 2.94Å |
| 232 | E | 53.1 | Low | 68 | Low | 106 Ų | 106 | 78.1 Ų | 78.1 | 50% | 0.495 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 175.7 | -72.8 | 168.1 | -168.8 | 0 | 0 | 111 | T228 M229 K234 T235 | T228-E232 WeakPolarHBondContact O-CG 3.36Å; T228-E232 PolarHBondContact O-N 3Å; M229-E232 WeakPolarHBondContact CE-OE2 3.45Å; E232-K234 VanDerWaalsContact C-N 3.3Å; E232-K234 PolarHBondContact O-N 3.48Å; E232-T235 PolarHBondContact O-N 2.63Å; E232-T235 PolarHBondContact O-OG1 2.67Å |
| 233 | K | 53.4 | Low | 69.6 | Low | 116 Ų | 116 | 77.2 Ų | 77.2 | 50% | 0.504 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.2 | -40.3 | 174.6 | -70.4 | 163.8 | -163.4 | 164.4 | 0 | 112.3 | M229 E230 T231 T235 H236 L239 | M229-K233 WeakPolarHBondContact O-CB 3.49Å; M229-K233 WeakPolarHBondContact O-CD 3.26Å; M229-K233 WeakPolarHBondContact O-CE 3.37Å; M229-K233 WeakPolarHBondContact O-CG 3.45Å; M229-K233 PolarHBondContact O-N 2.92Å; E230-K233 PolarHBondContact O-N 3.4Å; T231-K233 PolarHBondContact O-N 2.98Å; K233-T235 PolarHBondContact O-N 3.12Å; K233-H236 PolarHBondContact O-N 3.01Å; K233-H236 VanDerWaalsContact O-N 3.17Å; K233-L239 HydrophobicContact CB-CD1 4.2Å |
| 234 | K | 57.8 | Low | 71.6 | Confident | 124 Ų | 124 | 75.9 Ų | 75.9 | 54% | 0.539 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -4.9 | 175.7 | -73 | 162.3 | -178.4 | 160.8 | 0 | 114.1 | E230 T231 E232 L240 | E230-K234 WeakPolarHBondContact O-CB 3.17Å; E230-K234 WeakPolarHBondContact O-CD 3.46Å; E230-K234 VanDerWaalsContact O-CG 3.25Å; E230-K234 WeakPolarHBondContact O-CG 3.31Å; E230-K234 PolarHBondContact O-N 3.39Å; E230-K234 IonicContact OE2-NZ 3.81Å; E230-K234 PolarHBondContact OE2-NZ 3.42Å; T231-K234 CarbonylContact O-C 3.55Å; T231-K234 WeakPolarHBondContact O-CB 3.27Å; T231-K234 PolarHBondContact O-N 3.22Å; T231-K234 VanDerWaalsContact O-N 3.13Å; E232-K234 VanDerWaalsContact C-N 3.3Å; E232-K234 PolarHBondContact O-N 3.48Å; K234-L240 WeakPolarHBondContact O-CD1 3.4Å |
| 235 | T | 68.6 | Low | 73.7 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -6.1 | 171 | 65.3 | 0 | 0 | 0 | 0 | 114.3 | T231 E232 K233 Y237 A376 I379 | T231-T235 WeakPolarHBondContact O-CG2 3.46Å; T231-T235 PolarHBondContact O-N 2.94Å; E232-T235 PolarHBondContact O-N 2.63Å; E232-T235 PolarHBondContact O-OG1 2.67Å; K233-T235 PolarHBondContact O-N 3.12Å; T235-Y237 PolarHBondContact O-N 2.93Å; T235-A376 HydrophobicContact CG2-CB 3.52Å; T235-I379 WeakPolarHBondContact O-CG2 3.5Å |
| 236 | H | 88.8 | Confident | 75.8 | Confident | 110 Ų | 110 | 73.2 Ų | 73.2 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | trans | -76.7 | 115.2 | -177.2 | -177.1 | -93.6 | 0 | 0 | 0 | 111.3 | K233 G238 L239 L240 | K233-H236 PolarHBondContact O-N 3.01Å; K233-H236 VanDerWaalsContact O-N 3.17Å; H236-G238 VanDerWaalsContact C-N 3.29Å; H236-G238 PolarHBondContact ND1-N 2.94Å; H236-G238 PolarHBondContact O-N 3.3Å; H236-G238 VanDerWaalsContact O-N 3.16Å; H236-L239 HydrophobicContact CB-CB 4.48Å; H236-L239 HydrophobicContact CB-CD1 4.2Å; H236-L239 HydrophobicContact CB-CG 4.34Å; H236-L239 PolarHBondContact ND1-N 3.09Å; H236-L239 PolarHBondContact O-N 3.41Å; H236-L240 PolarHBondContact O-N 3.4Å | ||
| 237 | Y | 93.9 | Very high | 77.9 | Confident | 7 Ų | 7 | 71.7 Ų | 71.7 | 3% | 0.027 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -47 | -49.7 | -176.1 | 178.2 | -89.4 | 0 | 0 | 0 | 112.8 | T235 L239 L240 F241 I379 L382 A383 T386 E461 S465 Y468 | T235-Y237 PolarHBondContact O-N 2.93Å; Y237-L239 VanDerWaalsContact C-N 3.25Å; Y237-L239 PolarHBondContact O-N 2.66Å; Y237-L240 PolarHBondContact O-N 2.68Å; Y237-F241 HydrophobicContact CD1-CB 4.36Å; Y237-F241 HydrophobicContact CE1-CB 3.98Å; Y237-F241 HydrophobicContact CE1-CD2 4.43Å; Y237-F241 HydrophobicContact CE1-CG 4.08Å; Y237-F241 VanDerWaalsContact O-CB 3.25Å; Y237-F241 WeakPolarHBondContact O-CB 3.39Å; Y237-F241 PolarHBondContact O-N 2.93Å; Y237-I379 HydrophobicContact CD2-CG2 4.03Å; Y237-I379 HydrophobicContact CG-CG2 4.34Å; Y237-L382 HydrophobicContact CE2-CB 4.33Å; Y237-A383 HydrophobicContact CD2-CB 3.89Å; Y237-A383 HydrophobicContact CE2-CB 3.74Å; Y237-T386 WeakPolarHBondContact OH-CB 3.4Å; Y237-T386 WeakPolarHBondContact OH-CG2 3.36Å; Y237-E461 WeakPolarHBondContact CB-OE1 3.27Å; Y237-E461 HydrophobicContact CD2-CB 3.94Å; Y237-E461 HydrophobicContact CD2-CG 4.32Å; Y237-E461 HydrophobicContact CG-CB 4.32Å; Y237-E461 HydrophobicContact CG-CG 4.24Å; Y237-S465 WeakPolarHBondContact CE2-OG 3.42Å; Y237-S465 PolarHBondContact OH-OG 3.49Å; Y237-Y468 HydrophobicContact CE1-CD2 4.25Å; Y237-Y468 AromaticContact CE1-CE2 3.86Å; Y237-Y468 HydrophobicContact CE1-CE2 3.86Å |
| 238 | G | 91.7 | Very high | 79.9 | Confident | 31 Ų | 31 | 70.3 Ų | 70.3 | 32% | 0.32 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -21.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | H236 | H236-G238 VanDerWaalsContact C-N 3.29Å; H236-G238 PolarHBondContact ND1-N 2.94Å; H236-G238 PolarHBondContact O-N 3.3Å; H236-G238 VanDerWaalsContact O-N 3.16Å |
| 239 | L | 91.6 | Very high | 82 | Confident | 96 Ų | 96 | 68.3 Ų | 68.3 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -83.7 | -42 | 174.3 | -69.7 | 177.9 | 0 | 0 | 0 | 110.8 | K233 H236 Y237 F241 D242 E243 | K233-L239 HydrophobicContact CB-CD1 4.2Å; H236-L239 HydrophobicContact CB-CB 4.48Å; H236-L239 HydrophobicContact CB-CD1 4.2Å; H236-L239 HydrophobicContact CB-CG 4.34Å; H236-L239 PolarHBondContact ND1-N 3.09Å; H236-L239 PolarHBondContact O-N 3.41Å; Y237-L239 VanDerWaalsContact C-N 3.25Å; Y237-L239 PolarHBondContact O-N 2.66Å; L239-F241 VanDerWaalsContact C-N 3.33Å; L239-D242 PolarHBondContact O-N 2.93Å; L239-E243 PolarHBondContact O-N 3.35Å |
| 240 | L | 95.1 | Very high | 84.1 | Confident | 9 Ų | 9 | 65.3 Ų | 65.3 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 175.4 | -64.7 | 166.6 | 0 | 0 | 0 | 111.4 | K234 H236 Y237 D242 E243 F244 I379 R380 A383 | K234-L240 WeakPolarHBondContact O-CD1 3.4Å; H236-L240 PolarHBondContact O-N 3.4Å; Y237-L240 PolarHBondContact O-N 2.68Å; L240-D242 VanDerWaalsContact C-N 3.31Å; L240-D242 PolarHBondContact O-N 3.03Å; L240-E243 WeakPolarHBondContact O-CB 3.48Å; L240-E243 PolarHBondContact O-N 3.05Å; L240-F244 HydrophobicContact CB-CE2 4.31Å; L240-F244 WeakPolarHBondContact O-CD2 3.47Å; L240-F244 WeakPolarHBondContact O-CG 3.13Å; L240-F244 PolarHBondContact O-N 3.44Å; L240-I379 HydrophobicContact CD1-CG2 4.23Å; L240-R380 HydrophobicContact CD1-CB 4.11Å; L240-R380 HydrophobicContact CD2-CG 4.21Å; L240-A383 HydrophobicContact CB-CB 3.86Å |
| 241 | F | 96.2 | Very high | 86.2 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.9 | -33.3 | 177.6 | -178 | -115.8 | 0 | 0 | 0 | 112.7 | Y237 L239 Q245 G246 L247 A383 T386 A387 I390 Y468 | Y237-F241 HydrophobicContact CD1-CB 4.36Å; Y237-F241 HydrophobicContact CE1-CB 3.98Å; Y237-F241 HydrophobicContact CE1-CD2 4.43Å; Y237-F241 HydrophobicContact CE1-CG 4.08Å; Y237-F241 VanDerWaalsContact O-CB 3.25Å; Y237-F241 WeakPolarHBondContact O-CB 3.39Å; Y237-F241 PolarHBondContact O-N 2.93Å; L239-F241 VanDerWaalsContact C-N 3.33Å; F241-Q245 PolarHBondContact O-N 3.36Å; F241-G246 WeakPolarHBondContact O-CA 3.44Å; F241-G246 PolarHBondContact O-N 2.93Å; F241-L247 HydrophobicContact CD1-CD2 4.12Å; F241-L247 HydrophobicContact CD1-CG 3.93Å; F241-L247 HydrophobicContact CE1-CD2 3.8Å; F241-L247 HydrophobicContact CE1-CG 3.94Å; F241-A383 HydrophobicContact CB-CB 4.25Å; F241-T386 HydrophobicContact CD2-CG2 4.44Å; F241-T386 HydrophobicContact CE2-CG2 3.77Å; F241-T386 HydrophobicContact CZ-CG2 4.49Å; F241-A387 HydrophobicContact CD2-CB 4.15Å; F241-A387 HydrophobicContact CE2-CB 4.19Å; F241-I390 HydrophobicContact CE2-CD1 3.94Å; F241-I390 HydrophobicContact CZ-CD1 3.6Å; F241-Y468 HydrophobicContact CE1-CD1 4.43Å; F241-Y468 HydrophobicContact CE1-CE1 4.25Å; F241-Y468 HydrophobicContact CZ-CD1 4.36Å; F241-Y468 HydrophobicContact CZ-CG 4.38Å |
| 242 | D | 94.7 | Very high | 88.3 | Confident | 83 Ų | 83 | 62.8 Ų | 62.8 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -75.1 | -38.8 | 171.4 | -166.6 | 48.7 | 0 | 0 | 0 | 112.2 | L239 L240 F244 Q245 L247 | L239-D242 PolarHBondContact O-N 2.93Å; L240-D242 VanDerWaalsContact C-N 3.31Å; L240-D242 PolarHBondContact O-N 3.03Å; D242-F244 VanDerWaalsContact C-N 3.28Å; D242-F244 PolarHBondContact O-N 2.84Å; D242-Q245 WeakPolarHBondContact O-CA 3.5Å; D242-Q245 PolarHBondContact O-N 3.28Å; D242-L247 HydrophobicContact CB-CD1 4.09Å |
| 243 | E | 95.9 | Very high | 90.4 | Very high | 144 Ų | 144 | 57.8 Ų | 57.8 | 67% | 0.673 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.8 | -39.5 | 172.7 | -174.3 | 177.3 | -176.5 | 0 | 0 | 111.9 | L239 L240 Q245 | L239-E243 PolarHBondContact O-N 3.35Å; L240-E243 WeakPolarHBondContact O-CB 3.48Å; L240-E243 PolarHBondContact O-N 3.05Å; E243-Q245 PolarHBondContact O-N 3.35Å |
| 244 | F | 96.7 | Very high | 92.5 | Very high | 51 Ų | 51 | 54.2 Ų | 54.2 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 8.8 | 172.4 | -60.7 | -56.6 | 0 | 0 | 0 | 114.5 | L240 D242 G246 R380 A383 E384 A387 | L240-F244 HydrophobicContact CB-CE2 4.31Å; L240-F244 WeakPolarHBondContact O-CD2 3.47Å; L240-F244 WeakPolarHBondContact O-CG 3.13Å; L240-F244 PolarHBondContact O-N 3.44Å; D242-F244 VanDerWaalsContact C-N 3.28Å; D242-F244 PolarHBondContact O-N 2.84Å; F244-G246 VanDerWaalsContact C-N 3.25Å; F244-G246 PolarHBondContact O-N 3.24Å; F244-R380 HydrophobicContact CE2-CG 4Å; F244-R380 HydrophobicContact CZ-CG 3.93Å; F244-A383 HydrophobicContact CD2-CB 4.15Å; F244-A383 HydrophobicContact CE2-CB 4.37Å; F244-E384 HydrophobicContact CD1-CB 4.3Å; F244-E384 HydrophobicContact CD1-CG 3.95Å; F244-E384 VanDerWaalsContact CD2-CA 3.48Å; F244-E384 HydrophobicContact CD2-CB 3.82Å; F244-E384 HydrophobicContact CD2-CG 4.37Å; F244-E384 HydrophobicContact CE1-CB 4.14Å; F244-E384 HydrophobicContact CE1-CG 3.83Å; F244-E384 HydrophobicContact CE2-CB 3.65Å; F244-E384 HydrophobicContact CE2-CG 4.27Å; F244-E384 HydrophobicContact CG-CB 4.17Å; F244-E384 HydrophobicContact CG-CG 4.25Å; F244-E384 HydrophobicContact CZ-CB 3.83Å; F244-E384 HydrophobicContact CZ-CG 4.02Å; F244-A387 HydrophobicContact CB-CB 3.49Å; F244-A387 VanDerWaalsContact CB-CB 3.49Å; F244-A387 WeakPolarHBondContact O-CB 3.42Å |
| 245 | Q | 97.3 | Very high | 94.4 | Very high | 103 Ų | 103 | 54 Ų | 54 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 19 | 177.1 | -47.8 | -172.1 | -45.5 | 0 | 0 | 115 | F241 D242 E243 L247 S248 H249 | F241-Q245 PolarHBondContact O-N 3.36Å; D242-Q245 WeakPolarHBondContact O-CA 3.5Å; D242-Q245 PolarHBondContact O-N 3.28Å; E243-Q245 PolarHBondContact O-N 3.35Å; Q245-L247 PolarHBondContact O-N 2.86Å; Q245-S248 PolarHBondContact O-N 2.92Å; Q245-H249 PolarHBondContact O-CD2 3.48Å; Q245-H249 PolarHBondContact O-N 2.99Å |
| 246 | G | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | F241 F244 H249 L250 | F241-G246 WeakPolarHBondContact O-CA 3.44Å; F241-G246 PolarHBondContact O-N 2.93Å; F244-G246 VanDerWaalsContact C-N 3.25Å; F244-G246 PolarHBondContact O-N 3.24Å; G246-H249 PolarHBondContact O-N 3.06Å; G246-L250 WeakPolarHBondContact O-CB 3.36Å; G246-L250 PolarHBondContact O-N 2.91Å |
| 247 | L | 94.3 | Very high | 96.3 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 173.7 | -69 | 175.7 | 0 | 0 | 0 | 111.7 | F241 D242 Q245 H249 L250 E251 | F241-L247 HydrophobicContact CD1-CD2 4.12Å; F241-L247 HydrophobicContact CD1-CG 3.93Å; F241-L247 HydrophobicContact CE1-CD2 3.8Å; F241-L247 HydrophobicContact CE1-CG 3.94Å; D242-L247 HydrophobicContact CB-CD1 4.09Å; Q245-L247 PolarHBondContact O-N 2.86Å; L247-H249 VanDerWaalsContact C-N 3.27Å; L247-H249 PolarHBondContact O-N 3.08Å; L247-L250 PolarHBondContact O-N 2.63Å; L247-L250 VanDerWaalsContact O-N 3.12Å; L247-E251 WeakPolarHBondContact O-CG 3.26Å; L247-E251 PolarHBondContact O-N 2.9Å |
| 248 | S | 97.8 | Very high | 96.5 | Very high | 64 Ų | 64 | 53.5 Ų | 53.5 | 45% | 0.448 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.4 | -35.2 | 178 | -69.7 | 0 | 0 | 0 | 0 | 113 | Q245 A252 | Q245-S248 PolarHBondContact O-N 2.92Å; S248-A252 WeakPolarHBondContact O-CB 3.27Å; S248-A252 PolarHBondContact O-N 2.92Å |
| 249 | H | 98.1 | Very high | 96.7 | Very high | 23 Ų | 23 | 57 Ų | 57 | 11% | 0.106 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -76.9 | -34.7 | 175 | -70.3 | -32.2 | 0 | 0 | 0 | 113 | Q245 G246 L247 L253 I390 E391 H394 | Q245-H249 PolarHBondContact O-CD2 3.48Å; Q245-H249 PolarHBondContact O-N 2.99Å; G246-H249 PolarHBondContact O-N 3.06Å; L247-H249 VanDerWaalsContact C-N 3.27Å; L247-H249 PolarHBondContact O-N 3.08Å; H249-L253 VanDerWaalsContact O-CB 3.28Å; H249-L253 WeakPolarHBondContact O-CB 3.36Å; H249-L253 PolarHBondContact O-N 3.07Å; H249-I390 HydrophobicContact CB-CG2 3.94Å; H249-E391 WeakPolarHBondContact CD2-CB 3.06Å; H249-E391 WeakPolarHBondContact NE2-CG 3.48Å; H249-E391 IonicContact NE2-OE2 3.38Å; H249-H394 HydrophobicContact CB-CB 4.35Å; H249-H394 AromaticContact CG-ND1 3.89Å; H249-H394 AromaticContact ND1-CE1 3.81Å; H249-H394 AromaticContact ND1-ND1 3.23Å; H249-H394 PolarHBondContact ND1-ND1 3.43Å |
| 250 | L | 97.3 | Very high | 97 | Very high | 26 Ų | 26 | 52.4 Ų | 52.4 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 174.7 | -169.4 | 64.7 | 0 | 0 | 0 | 111.5 | G246 L247 L253 E254 I390 Y468 A472 L475 | G246-L250 WeakPolarHBondContact O-CB 3.36Å; G246-L250 PolarHBondContact O-N 2.91Å; L247-L250 PolarHBondContact O-N 2.63Å; L247-L250 VanDerWaalsContact O-N 3.12Å; L250-L253 PolarHBondContact O-N 2.79Å; L250-E254 WeakPolarHBondContact O-CB 3.32Å; L250-E254 PolarHBondContact O-N 3.16Å; L250-I390 HydrophobicContact CB-CG2 4.09Å; L250-I390 HydrophobicContact CD1-CG2 4.22Å; L250-Y468 HydrophobicContact CD2-CD1 4.15Å; L250-Y468 HydrophobicContact CD2-CE1 4.33Å; L250-A472 HydrophobicContact CD1-CB 3.99Å; L250-L475 HydrophobicContact CD1-CD1 3.92Å |
| 251 | E | 97.2 | Very high | 97.1 | Very high | 90 Ų | 90 | 55.8 Ų | 55.8 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 175.7 | -73 | -172.7 | 167.9 | 0 | 0 | 112.1 | L93 L247 L253 E254 M255 | L93-E251 HydrophobicContact CD2-CG 4.19Å; L93-E251 VanDerWaalsContact CD2-OE1 3.31Å; L93-E251 WeakPolarHBondContact CD2-OE1 3.33Å; L247-E251 WeakPolarHBondContact O-CG 3.26Å; L247-E251 PolarHBondContact O-N 2.9Å; E251-L253 VanDerWaalsContact C-N 3.34Å; E251-L253 PolarHBondContact O-N 2.69Å; E251-E254 PolarHBondContact O-N 3.18Å; E251-M255 WeakPolarHBondContact O-CG 3.25Å; E251-M255 PolarHBondContact O-N 3.3Å |
| 252 | A | 98.2 | Very high | 97.1 | Very high | 26 Ų | 26 | 61.1 Ų | 61.1 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.8 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | S248 M255 L256 H394 | S248-A252 WeakPolarHBondContact O-CB 3.27Å; S248-A252 PolarHBondContact O-N 2.92Å; A252-M255 PolarHBondContact O-N 2.86Å; A252-L256 WeakPolarHBondContact O-CG 3.41Å; A252-L256 PolarHBondContact O-N 3.19Å; A252-H394 WeakPolarHBondContact CB-NE2 3.48Å |
| 253 | L | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.1 | -41 | 174.3 | 177.8 | 54.4 | 0 | 0 | 0 | 112 | H249 L250 E251 M255 L256 S257 F393 H394 A397 A472 L475 L476 | H249-L253 VanDerWaalsContact O-CB 3.28Å; H249-L253 WeakPolarHBondContact O-CB 3.36Å; H249-L253 PolarHBondContact O-N 3.07Å; L250-L253 PolarHBondContact O-N 2.79Å; E251-L253 VanDerWaalsContact C-N 3.34Å; E251-L253 PolarHBondContact O-N 2.69Å; L253-M255 VanDerWaalsContact C-N 3.31Å; L253-M255 PolarHBondContact O-N 2.99Å; L253-L256 PolarHBondContact O-N 3.2Å; L253-S257 VanDerWaalsContact O-CB 3.31Å; L253-S257 WeakPolarHBondContact O-CB 3.36Å; L253-S257 PolarHBondContact O-N 3.01Å; L253-F393 HydrophobicContact CD2-CB 3.86Å; L253-H394 HydrophobicContact CB-CB 4.17Å; L253-A397 HydrophobicContact CD1-CB 3.7Å; L253-A472 HydrophobicContact CD2-CB 3.98Å; L253-A472 WeakPolarHBondContact CD2-O 3.36Å; L253-L475 HydrophobicContact CD1-CB 4.35Å; L253-L475 HydrophobicContact CD2-CB 4.22Å; L253-L475 HydrophobicContact CD2-CD1 4.44Å; L253-L475 HydrophobicContact CG-CB 3.85Å; L253-L475 HydrophobicContact CG-CD1 4.11Å; L253-L476 HydrophobicContact CD1-CD2 3.76Å |
| 254 | E | 97.5 | Very high | 97.2 | Very high | 42 Ų | 42 | 54.1 Ų | 54.1 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.4 | -36.8 | 174.9 | -159.1 | -137.3 | 157.8 | 0 | 0 | 111.6 | L250 E251 S257 R258 L475 | L250-E254 WeakPolarHBondContact O-CB 3.32Å; L250-E254 PolarHBondContact O-N 3.16Å; E251-E254 PolarHBondContact O-N 3.18Å; E254-S257 PolarHBondContact O-N 2.94Å; E254-R258 WeakPolarHBondContact O-CB 3.46Å; E254-R258 WeakPolarHBondContact O-CG 3.49Å; E254-R258 PolarHBondContact O-N 2.93Å; E254-R258 IonicContact OE1-CZ 2.85Å; E254-R258 IonicContact OE1-NE 2.64Å; E254-R258 PolarHBondContact OE1-NE 3.05Å; E254-R258 IonicContact OE1-NH2 2.62Å; E254-R258 PolarHBondContact OE1-NH2 3.48Å; E254-R258 IonicContact OE2-CZ 2.75Å; E254-R258 IonicContact OE2-NE 2.63Å; E254-R258 IonicContact OE2-NH2 2.61Å; E254-R258 PolarHBondContact OE2-NH2 2.84Å; E254-L475 HydrophobicContact CB-CD1 4.06Å; E254-L475 HydrophobicContact CB-CD2 4.43Å; E254-L475 HydrophobicContact CG-CD1 4.37Å; E254-L475 HydrophobicContact CG-CD2 4.02Å |
| 255 | M | 97.8 | Very high | 97.1 | Very high | 118 Ų | 118 | 56.4 Ų | 56.4 | 58% | 0.581 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.6 | -48 | 172.5 | -76 | 178.8 | 57 | 0 | 0 | 112.4 | E251 A252 L253 S257 R258 E259 | E251-M255 WeakPolarHBondContact O-CG 3.25Å; E251-M255 PolarHBondContact O-N 3.3Å; A252-M255 PolarHBondContact O-N 2.86Å; L253-M255 VanDerWaalsContact C-N 3.31Å; L253-M255 PolarHBondContact O-N 2.99Å; M255-S257 VanDerWaalsContact C-N 3.3Å; M255-S257 PolarHBondContact O-N 3.37Å; M255-R258 PolarHBondContact O-N 3.45Å; M255-E259 WeakPolarHBondContact O-CB 3.46Å; M255-E259 PolarHBondContact O-N 3.35Å |
| 256 | L | 97.8 | Very high | 97.1 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 16% | 0.162 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -40.3 | 175.6 | -68.6 | 177.1 | 0 | 0 | 0 | 111.6 | A252 L253 S260 A397 A398 L401 | A252-L256 WeakPolarHBondContact O-CG 3.41Å; A252-L256 PolarHBondContact O-N 3.19Å; L253-L256 PolarHBondContact O-N 3.2Å; L256-S260 VanDerWaalsContact O-CB 3.3Å; L256-S260 WeakPolarHBondContact O-CB 3.48Å; L256-S260 PolarHBondContact O-N 2.8Å; L256-S260 PolarHBondContact O-OG 2.61Å; L256-A397 HydrophobicContact CD1-CB 4.02Å; L256-A398 HydrophobicContact CD1-CB 4.2Å; L256-L401 HydrophobicContact CB-CD1 4.23Å; L256-L401 HydrophobicContact CD2-CD1 4Å; L256-L401 HydrophobicContact CG-CD1 4.5Å |
| 257 | S | 98.2 | Very high | 96.9 | Very high | 9 Ų | 9 | 57 Ų | 57 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.6 | -50.9 | 176.8 | -164.2 | 0 | 0 | 0 | 0 | 111.4 | L253 E254 M255 E259 S260 E261 L475 | L253-S257 VanDerWaalsContact O-CB 3.31Å; L253-S257 WeakPolarHBondContact O-CB 3.36Å; L253-S257 PolarHBondContact O-N 3.01Å; E254-S257 PolarHBondContact O-N 2.94Å; M255-S257 VanDerWaalsContact C-N 3.3Å; M255-S257 PolarHBondContact O-N 3.37Å; S257-E259 PolarHBondContact O-N 3.13Å; S257-S260 PolarHBondContact O-N 3.23Å; S257-E261 WeakPolarHBondContact O-CB 3.46Å; S257-E261 PolarHBondContact O-N 2.73Å; S257-L475 WeakPolarHBondContact CB-O 3.46Å; S257-L475 PolarHBondContact OG-O 3.22Å |
| 258 | R | 97.9 | Very high | 96.9 | Very high | 111 Ų | 111 | 56 Ų | 56 | 42% | 0.419 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 177.1 | -76.9 | -171.8 | -92 | 115.7 | -6.3 | 113 | E254 M255 S260 I262 | E254-R258 WeakPolarHBondContact O-CB 3.46Å; E254-R258 WeakPolarHBondContact O-CG 3.49Å; E254-R258 PolarHBondContact O-N 2.93Å; E254-R258 IonicContact OE1-CZ 2.85Å; E254-R258 IonicContact OE1-NE 2.64Å; E254-R258 PolarHBondContact OE1-NE 3.05Å; E254-R258 IonicContact OE1-NH2 2.62Å; E254-R258 PolarHBondContact OE1-NH2 3.48Å; E254-R258 IonicContact OE2-CZ 2.75Å; E254-R258 IonicContact OE2-NE 2.63Å; E254-R258 IonicContact OE2-NH2 2.61Å; E254-R258 PolarHBondContact OE2-NH2 2.84Å; M255-R258 PolarHBondContact O-N 3.45Å; R258-S260 VanDerWaalsContact C-N 3.34Å; R258-I262 WeakPolarHBondContact O-CD1 3.46Å; R258-I262 VanDerWaalsContact O-CG1 3.28Å; R258-I262 WeakPolarHBondContact O-CG1 3.29Å; R258-I262 PolarHBondContact O-N 3.34Å |
| 259 | E | 96.9 | Very high | 96.7 | Very high | 103 Ų | 103 | 59.7 Ų | 59.7 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 175.8 | -167.2 | -171.6 | 136.6 | 0 | 0 | 111.4 | M255 S257 K263 | M255-E259 WeakPolarHBondContact O-CB 3.46Å; M255-E259 PolarHBondContact O-N 3.35Å; S257-E259 PolarHBondContact O-N 3.13Å; E259-K263 WeakPolarHBondContact O-CG 3.41Å; E259-K263 PolarHBondContact O-N 2.79Å; E259-K263 WeakPolarHBondContact OE1-CE 3.31Å; E259-K263 IonicContact OE1-NZ 2.61Å; E259-K263 PolarHBondContact OE1-NZ 3.1Å |
| 260 | S | 97 | Very high | 96.5 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.1 | -45.5 | 178.6 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | L256 S257 R258 I262 K263 V264 P478 | L256-S260 VanDerWaalsContact O-CB 3.3Å; L256-S260 WeakPolarHBondContact O-CB 3.48Å; L256-S260 PolarHBondContact O-N 2.8Å; L256-S260 PolarHBondContact O-OG 2.61Å; S257-S260 PolarHBondContact O-N 3.23Å; R258-S260 VanDerWaalsContact C-N 3.34Å; S260-I262 VanDerWaalsContact C-N 3.29Å; S260-I262 PolarHBondContact O-N 2.78Å; S260-K263 CarbonylContact O-C 3.55Å; S260-K263 WeakPolarHBondContact O-CA 3.24Å; S260-K263 WeakPolarHBondContact O-CB 2.99Å; S260-K263 PolarHBondContact O-N 3.38Å; S260-V264 WeakPolarHBondContact O-CG2 3.24Å; S260-V264 PolarHBondContact O-N 2.87Å; S260-P478 VanDerWaalsContact CB-O 3.28Å; S260-P478 WeakPolarHBondContact CB-O 3.26Å |
| 261 | E | 96.9 | Very high | 96.2 | Very high | 79 Ų | 79 | 64.1 Ų | 64.1 | 37% | 0.369 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.6 | -39.2 | 177.9 | -160.5 | -142.6 | -159.7 | 0 | 0 | 112.3 | S257 V264 K265 P478 | S257-E261 WeakPolarHBondContact O-CB 3.46Å; S257-E261 PolarHBondContact O-N 2.73Å; E261-V264 PolarHBondContact O-N 2.7Å; E261-K265 VanDerWaalsContact CD-CE 3.43Å; E261-K265 HydrophobicContact CG-CD 4.44Å; E261-K265 WeakPolarHBondContact O-CB 3.5Å; E261-K265 WeakPolarHBondContact O-CD 3.49Å; E261-K265 VanDerWaalsContact O-CG 3.27Å; E261-K265 WeakPolarHBondContact O-CG 3.44Å; E261-K265 PolarHBondContact O-N 3.35Å; E261-K265 WeakPolarHBondContact OE1-CE 3.37Å; E261-K265 IonicContact OE1-NZ 3.45Å; E261-K265 PolarHBondContact OE1-NZ 2.64Å; E261-K265 IonicContact OE2-NZ 3.54Å; E261-K265 PolarHBondContact OE2-NZ 2.99Å; E261-P478 HydrophobicContact CB-CB 3.93Å; E261-P478 HydrophobicContact CB-CG 4.16Å; E261-P478 HydrophobicContact CG-CB 4.47Å; E261-P478 HydrophobicContact CG-CG 4.33Å |
| 262 | I | 96.8 | Very high | 95.9 | Very high | 113 Ų | 113 | 64.2 Ų | 64.2 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.5 | -42.2 | 174.1 | -69.1 | 166 | 0 | 0 | 0 | 111.1 | R258 S260 S266 | R258-I262 WeakPolarHBondContact O-CD1 3.46Å; R258-I262 VanDerWaalsContact O-CG1 3.28Å; R258-I262 WeakPolarHBondContact O-CG1 3.29Å; R258-I262 PolarHBondContact O-N 3.34Å; S260-I262 VanDerWaalsContact C-N 3.29Å; S260-I262 PolarHBondContact O-N 2.78Å; I262-S266 WeakPolarHBondContact O-CB 3.32Å; I262-S266 PolarHBondContact O-N 3.39Å |
| 263 | K | 96.1 | Very high | 95.7 | Very high | 77 Ų | 77 | 65.4 Ų | 65.4 | 34% | 0.335 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 175.9 | -71.1 | 168.9 | -175 | 168 | 0 | 111.7 | E259 S260 K265 S266 I267 I482 | E259-K263 WeakPolarHBondContact O-CG 3.41Å; E259-K263 PolarHBondContact O-N 2.79Å; E259-K263 WeakPolarHBondContact OE1-CE 3.31Å; E259-K263 IonicContact OE1-NZ 2.61Å; E259-K263 PolarHBondContact OE1-NZ 3.1Å; S260-K263 CarbonylContact O-C 3.55Å; S260-K263 WeakPolarHBondContact O-CA 3.24Å; S260-K263 WeakPolarHBondContact O-CB 2.99Å; S260-K263 PolarHBondContact O-N 3.38Å; K263-K265 PolarHBondContact O-N 2.93Å; K263-S266 WeakPolarHBondContact O-CB 3.4Å; K263-S266 PolarHBondContact O-N 3.4Å; K263-S266 VanDerWaalsContact O-N 3.13Å; K263-I267 WeakPolarHBondContact O-CG1 3.38Å; K263-I267 PolarHBondContact O-N 3.37Å; K263-I482 HydrophobicContact CB-CD1 3.44Å; K263-I482 VanDerWaalsContact CB-CD1 3.44Å; K263-I482 HydrophobicContact CB-CG1 4.29Å; K263-I482 HydrophobicContact CD-CD1 4.42Å |
| 264 | V | 96.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 73.2 Ų | 73.2 | 2% | 0.024 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -56.9 | -51.1 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 109.7 | S260 E261 S266 I267 L268 E481 I482 I485 | S260-V264 WeakPolarHBondContact O-CG2 3.24Å; S260-V264 PolarHBondContact O-N 2.87Å; E261-V264 PolarHBondContact O-N 2.7Å; V264-S266 VanDerWaalsContact C-N 3.31Å; V264-S266 PolarHBondContact O-N 3Å; V264-I267 PolarHBondContact O-N 2.88Å; V264-L268 HydrophobicContact CG1-CD1 3.76Å; V264-L268 HydrophobicContact CG1-CG 4.3Å; V264-L268 WeakPolarHBondContact O-CB 3.4Å; V264-L268 WeakPolarHBondContact O-CG 3.39Å; V264-L268 PolarHBondContact O-N 2.98Å; V264-E481 HydrophobicContact CG2-CB 3.64Å; V264-I482 HydrophobicContact CB-CD1 4.43Å; V264-I482 HydrophobicContact CG2-CD1 3.53Å; V264-I482 HydrophobicContact CG2-CG1 3.73Å; V264-I485 HydrophobicContact CB-CD1 4.46Å; V264-I485 HydrophobicContact CG1-CD1 4.15Å; V264-I485 HydrophobicContact CG2-CD1 4.17Å |
| 265 | K | 95.4 | Very high | 94.8 | Very high | 98 Ų | 98 | 77.2 Ų | 77.2 | 43% | 0.426 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 176.6 | -71.3 | 168.8 | -177.7 | 173.9 | 0 | 112.1 | E261 K263 N269 | E261-K265 VanDerWaalsContact CD-CE 3.43Å; E261-K265 HydrophobicContact CG-CD 4.44Å; E261-K265 WeakPolarHBondContact O-CB 3.5Å; E261-K265 WeakPolarHBondContact O-CD 3.49Å; E261-K265 VanDerWaalsContact O-CG 3.27Å; E261-K265 WeakPolarHBondContact O-CG 3.44Å; E261-K265 PolarHBondContact O-N 3.35Å; E261-K265 WeakPolarHBondContact OE1-CE 3.37Å; E261-K265 IonicContact OE1-NZ 3.45Å; E261-K265 PolarHBondContact OE1-NZ 2.64Å; E261-K265 IonicContact OE2-NZ 3.54Å; E261-K265 PolarHBondContact OE2-NZ 2.99Å; K263-K265 PolarHBondContact O-N 2.93Å; K265-N269 WeakPolarHBondContact O-CB 3.45Å; K265-N269 VanDerWaalsContact O-CG 3.27Å; K265-N269 PolarHBondContact O-N 2.9Å; K265-N269 VanDerWaalsContact O-N 3.1Å; K265-N269 PolarHBondContact O-ND2 3.47Å |
| 266 | S | 96.2 | Very high | 94.5 | Very high | 78 Ų | 78 | 72.8 Ų | 72.8 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 176.6 | -171.6 | 0 | 0 | 0 | 0 | 112.3 | I262 K263 V264 S270 | I262-S266 WeakPolarHBondContact O-CB 3.32Å; I262-S266 PolarHBondContact O-N 3.39Å; K263-S266 WeakPolarHBondContact O-CB 3.4Å; K263-S266 PolarHBondContact O-N 3.4Å; K263-S266 VanDerWaalsContact O-N 3.13Å; V264-S266 VanDerWaalsContact C-N 3.31Å; V264-S266 PolarHBondContact O-N 3Å; S266-S270 PolarHBondContact O-N 2.98Å |
| 267 | I | 94.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 76 Ų | 76 | 20% | 0.2 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -72.6 | -45.7 | -179.5 | -64.1 | 169 | 0 | 0 | 0 | 110.7 | K263 V264 N269 S270 L271 I485 | K263-I267 WeakPolarHBondContact O-CG1 3.38Å; K263-I267 PolarHBondContact O-N 3.37Å; V264-I267 PolarHBondContact O-N 2.88Å; I267-N269 VanDerWaalsContact C-N 3.26Å; I267-N269 PolarHBondContact O-N 3.26Å; I267-S270 WeakPolarHBondContact O-CA 3.28Å; I267-S270 PolarHBondContact O-N 3.32Å; I267-S270 PolarHBondContact O-OG 2.98Å; I267-L271 HydrophobicContact CG2-CD1 3.91Å; I267-L271 HydrophobicContact CG2-CG 4.32Å; I267-L271 PolarHBondContact O-N 3.04Å; I267-L271 VanDerWaalsContact O-N 3.07Å; I267-I485 HydrophobicContact CD1-CG2 3.67Å; I267-I485 HydrophobicContact CG2-CG2 3.95Å |
| 268 | L | 93.2 | Very high | 94.1 | Very high | 44 Ų | 44 | 78.2 Ų | 78.2 | 23% | 0.23 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.8 | -35.5 | 175.1 | -71.8 | 173 | 0 | 0 | 0 | 113 | V264 S270 L276 L279 L283 | V264-L268 HydrophobicContact CG1-CD1 3.76Å; V264-L268 HydrophobicContact CG1-CG 4.3Å; V264-L268 WeakPolarHBondContact O-CB 3.4Å; V264-L268 WeakPolarHBondContact O-CG 3.39Å; V264-L268 PolarHBondContact O-N 2.98Å; L268-S270 VanDerWaalsContact C-N 3.28Å; L268-S270 PolarHBondContact O-N 3.49Å; L268-L276 HydrophobicContact CB-CD1 4.35Å; L268-L276 HydrophobicContact CD2-CD1 3.66Å; L268-L276 WeakPolarHBondContact O-CD1 3.37Å; L268-L279 HydrophobicContact CD2-CD2 3.81Å; L268-L279 HydrophobicContact CD2-CG 4.22Å; L268-L283 HydrophobicContact CD1-CD1 4.21Å; L268-L283 HydrophobicContact CD2-CD1 3.96Å; L268-L283 HydrophobicContact CG-CD1 4.48Å |
| 269 | N | 93.8 | Very high | 93.9 | Very high | 142 Ų | 142 | 73.1 Ų | 73.1 | 76% | 0.759 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -12.3 | 174.7 | -74.4 | -46.4 | 0 | 0 | 0 | 114 | K265 I267 | K265-N269 WeakPolarHBondContact O-CB 3.45Å; K265-N269 VanDerWaalsContact O-CG 3.27Å; K265-N269 PolarHBondContact O-N 2.9Å; K265-N269 VanDerWaalsContact O-N 3.1Å; K265-N269 PolarHBondContact O-ND2 3.47Å; I267-N269 VanDerWaalsContact C-N 3.26Å; I267-N269 PolarHBondContact O-N 3.26Å |
| 270 | S | 93.6 | Very high | 93.7 | Very high | 92 Ų | 92 | 72.6 Ų | 72.6 | 64% | 0.643 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -25.2 | 178.2 | 74 | 0 | 0 | 0 | 0 | 113.8 | S266 I267 L268 | S266-S270 PolarHBondContact O-N 2.98Å; I267-S270 WeakPolarHBondContact O-CA 3.28Å; I267-S270 PolarHBondContact O-N 3.32Å; I267-S270 PolarHBondContact O-OG 2.98Å; L268-S270 VanDerWaalsContact C-N 3.28Å; L268-S270 PolarHBondContact O-N 3.49Å |
| 271 | L | 91.5 | Very high | 93.6 | Very high | 49 Ų | 49 | 76.5 Ų | 76.5 | 26% | 0.257 | 42% | 0.417 | S | S | . | . | trans | -82.9 | 157.1 | 176 | -65.4 | 172.3 | 0 | 0 | 0 | 111.1 | I267 L276 L279 | I267-L271 HydrophobicContact CG2-CD1 3.91Å; I267-L271 HydrophobicContact CG2-CG 4.32Å; I267-L271 PolarHBondContact O-N 3.04Å; I267-L271 VanDerWaalsContact O-N 3.07Å; L271-L276 HydrophobicContact CB-CB 4.13Å; L271-L276 HydrophobicContact CB-CD1 4.27Å; L271-L279 HydrophobicContact CD1-CD2 3.58Å | ||
| 272 | S | 91.3 | Very high | 93.4 | Very high | 92 Ų | 92 | 75.5 Ų | 75.5 | 64% | 0.643 | 41% | 0.412 | S | S | * | . | trans | -155.9 | 160.2 | 175.1 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 273 | G | 92.6 | Very high | 93.3 | Very high | 51 Ų | 51 | 70.7 Ų | 70.7 | 53% | 0.526 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | -145.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E275 L276 E277 | G273-E275 VanDerWaalsContact C-N 3.34Å; G273-E275 PolarHBondContact O-N 3.17Å; G273-L276 WeakPolarHBondContact O-CB 3.48Å; G273-L276 PolarHBondContact O-N 3.03Å; G273-L276 VanDerWaalsContact O-N 3.12Å; G273-E277 PolarHBondContact O-N 2.62Å |
| 274 | E | 90.1 | Very high | 93.2 | Very high | 165 Ų | 165 | 71.6 Ų | 71.6 | 77% | 0.771 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.4 | -34.4 | -171.2 | -170.1 | 166.3 | -162.5 | 0 | 0 | 113.5 | L276 E277 T278 | E274-L276 VanDerWaalsContact C-N 3.29Å; E274-L276 PolarHBondContact O-N 3.35Å; E274-E277 PolarHBondContact O-N 2.72Å; E274-T278 HydrophobicContact CG-CG2 4.45Å; E274-T278 WeakPolarHBondContact O-CB 3.46Å; E274-T278 WeakPolarHBondContact O-CG2 3.45Å; E274-T278 PolarHBondContact O-N 3.2Å; E274-T278 PolarHBondContact O-OG1 3.5Å |
| 275 | E | 88.1 | Confident | 93 | Very high | 125 Ų | 125 | 76.2 Ų | 76.2 | 58% | 0.584 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.4 | -36.4 | 174.6 | -63.2 | 178.3 | 174.1 | 0 | 0 | 112.3 | G273 T278 L279 | G273-E275 VanDerWaalsContact C-N 3.34Å; G273-E275 PolarHBondContact O-N 3.17Å; E275-T278 PolarHBondContact O-OG1 2.91Å; E275-T278 VanDerWaalsContact O-OG1 3.13Å; E275-L279 VanDerWaalsContact O-CB 3.31Å; E275-L279 WeakPolarHBondContact O-CB 3.46Å; E275-L279 PolarHBondContact O-N 3.41Å |
| 276 | L | 91.5 | Very high | 92.9 | Very high | 25 Ų | 25 | 71.6 Ų | 71.6 | 13% | 0.131 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -74.6 | -43.5 | 178.3 | 176.9 | 62.4 | 0 | 0 | 0 | 111.7 | L268 L271 G273 E274 K280 | L268-L276 HydrophobicContact CB-CD1 4.35Å; L268-L276 HydrophobicContact CD2-CD1 3.66Å; L268-L276 WeakPolarHBondContact O-CD1 3.37Å; L271-L276 HydrophobicContact CB-CB 4.13Å; L271-L276 HydrophobicContact CB-CD1 4.27Å; G273-L276 WeakPolarHBondContact O-CB 3.48Å; G273-L276 PolarHBondContact O-N 3.03Å; G273-L276 VanDerWaalsContact O-N 3.12Å; E274-L276 VanDerWaalsContact C-N 3.29Å; E274-L276 PolarHBondContact O-N 3.35Å; L276-K280 HydrophobicContact CG-CD 4.41Å; L276-K280 VanDerWaalsContact O-CG 3.32Å; L276-K280 WeakPolarHBondContact O-CG 3.39Å; L276-K280 PolarHBondContact O-N 3.48Å |
| 277 | E | 93.2 | Very high | 92.8 | Very high | 98 Ų | 98 | 71.5 Ų | 71.5 | 46% | 0.458 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -72.3 | -36.2 | -179.2 | -55.9 | -46.5 | 127.8 | 0 | 0 | 112.4 | G273 E274 K280 V281 | G273-E277 PolarHBondContact O-N 2.62Å; E274-E277 PolarHBondContact O-N 2.72Å; E277-K280 PolarHBondContact O-N 3.47Å; E277-K280 IonicContact OE1-NZ 2.77Å; E277-K280 PolarHBondContact OE1-NZ 3.3Å; E277-K280 VanDerWaalsContact OE2-CD 3.31Å; E277-K280 WeakPolarHBondContact OE2-CD 2.94Å; E277-K280 IonicContact OE2-NZ 2.79Å; E277-K280 PolarHBondContact OE2-NZ 3.13Å; E277-V281 WeakPolarHBondContact O-CG2 3.46Å; E277-V281 PolarHBondContact O-N 2.94Å |
| 278 | T | 93.1 | Very high | 92.6 | Very high | 57 Ų | 57 | 76 Ų | 76 | 35% | 0.35 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 171.6 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | E274 E275 K280 V281 E282 | E274-T278 HydrophobicContact CG-CG2 4.45Å; E274-T278 WeakPolarHBondContact O-CB 3.46Å; E274-T278 WeakPolarHBondContact O-CG2 3.45Å; E274-T278 PolarHBondContact O-N 3.2Å; E274-T278 PolarHBondContact O-OG1 3.5Å; E275-T278 PolarHBondContact O-OG1 2.91Å; E275-T278 VanDerWaalsContact O-OG1 3.13Å; T278-K280 PolarHBondContact O-N 2.97Å; T278-V281 PolarHBondContact O-N 2.84Å; T278-E282 WeakPolarHBondContact O-CG 3.38Å; T278-E282 PolarHBondContact O-N 3.41Å; T278-E282 VanDerWaalsContact O-N 3.1Å |
| 279 | L | 93.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.021 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 176.9 | 178.5 | 60.2 | 0 | 0 | 0 | 112.4 | L268 L271 E275 V281 E282 L283 L484 I485 | L268-L279 HydrophobicContact CD2-CD2 3.81Å; L268-L279 HydrophobicContact CD2-CG 4.22Å; L271-L279 HydrophobicContact CD1-CD2 3.58Å; E275-L279 VanDerWaalsContact O-CB 3.31Å; E275-L279 WeakPolarHBondContact O-CB 3.46Å; E275-L279 PolarHBondContact O-N 3.41Å; L279-V281 VanDerWaalsContact C-N 3.31Å; L279-V281 PolarHBondContact O-N 3.21Å; L279-E282 PolarHBondContact O-N 3.05Å; L279-L283 HydrophobicContact CD1-CD1 4.07Å; L279-L283 HydrophobicContact CD1-CD2 4.38Å; L279-L283 HydrophobicContact CD1-CG 3.95Å; L279-L283 HydrophobicContact CD2-CD1 4.46Å; L279-L283 HydrophobicContact CG-CD1 3.83Å; L279-L283 HydrophobicContact CG-CG 4.21Å; L279-L283 WeakPolarHBondContact O-CB 3.38Å; L279-L283 VanDerWaalsContact O-CG 3.23Å; L279-L283 WeakPolarHBondContact O-CG 3.28Å; L279-L283 PolarHBondContact O-N 3.03Å; L279-L484 HydrophobicContact CD1-CD2 3.68Å; L279-I485 HydrophobicContact CD1-CG1 3.74Å; L279-I485 HydrophobicContact CD2-CD1 4.31Å; L279-I485 HydrophobicContact CD2-CG1 4.02Å; L279-I485 HydrophobicContact CG-CG1 4.46Å |
| 280 | K | 94.2 | Very high | 92.4 | Very high | 91 Ų | 91 | 68 Ų | 68 | 40% | 0.396 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 174.9 | -75.8 | 165.8 | 179.4 | 168.5 | 0 | 112.9 | L276 E277 T278 L283 E284 | L276-K280 HydrophobicContact CG-CD 4.41Å; L276-K280 VanDerWaalsContact O-CG 3.32Å; L276-K280 WeakPolarHBondContact O-CG 3.39Å; L276-K280 PolarHBondContact O-N 3.48Å; E277-K280 PolarHBondContact O-N 3.47Å; E277-K280 IonicContact OE1-NZ 2.77Å; E277-K280 PolarHBondContact OE1-NZ 3.3Å; E277-K280 VanDerWaalsContact OE2-CD 3.31Å; E277-K280 WeakPolarHBondContact OE2-CD 2.94Å; E277-K280 IonicContact OE2-NZ 2.79Å; E277-K280 PolarHBondContact OE2-NZ 3.13Å; T278-K280 PolarHBondContact O-N 2.97Å; K280-L283 PolarHBondContact O-N 3.47Å; K280-E284 WeakPolarHBondContact O-CB 3.3Å; K280-E284 PolarHBondContact O-N 2.72Å |
| 281 | V | 93.9 | Very high | 92 | Very high | 83 Ų | 83 | 66.5 Ų | 66.5 | 50% | 0.503 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | E277 T278 L279 E284 Q285 | E277-V281 WeakPolarHBondContact O-CG2 3.46Å; E277-V281 PolarHBondContact O-N 2.94Å; T278-V281 PolarHBondContact O-N 2.84Å; L279-V281 VanDerWaalsContact C-N 3.31Å; L279-V281 PolarHBondContact O-N 3.21Å; V281-E284 PolarHBondContact O-N 2.97Å; V281-Q285 VanDerWaalsContact O-CG 3.32Å; V281-Q285 WeakPolarHBondContact O-CG 3.44Å; V281-Q285 PolarHBondContact O-N 3.12Å |
| 282 | E | 93.3 | Very high | 90.9 | Very high | 59 Ų | 59 | 66.4 Ų | 66.4 | 28% | 0.276 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 175.9 | -68.3 | 158 | -158.9 | 0 | 0 | 112.5 | T278 L279 L286 L484 K488 | T278-E282 WeakPolarHBondContact O-CG 3.38Å; T278-E282 PolarHBondContact O-N 3.41Å; T278-E282 VanDerWaalsContact O-N 3.1Å; L279-E282 PolarHBondContact O-N 3.05Å; E282-L286 WeakPolarHBondContact O-CB 3.42Å; E282-L286 PolarHBondContact O-N 2.99Å; E282-L484 HydrophobicContact CB-CD1 4.22Å; E282-L484 HydrophobicContact CB-CD2 4.08Å; E282-K488 IonicContact OE1-NZ 2.63Å; E282-K488 PolarHBondContact OE1-NZ 3.27Å; E282-K488 WeakPolarHBondContact OE2-CD 3.14Å; E282-K488 WeakPolarHBondContact OE2-CE 3.28Å; E282-K488 IonicContact OE2-NZ 3.73Å; E282-K488 PolarHBondContact OE2-NZ 3.49Å |
| 283 | L | 94.7 | Very high | 89.5 | Confident | 11 Ų | 11 | 65.1 Ų | 65.1 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -70.5 | -38.6 | 176.3 | -67.1 | 169.8 | 0 | 0 | 0 | 112.4 | L268 L279 K280 L286 K287 E481 I485 | L268-L283 HydrophobicContact CD1-CD1 4.21Å; L268-L283 HydrophobicContact CD2-CD1 3.96Å; L268-L283 HydrophobicContact CG-CD1 4.48Å; L279-L283 HydrophobicContact CD1-CD1 4.07Å; L279-L283 HydrophobicContact CD1-CD2 4.38Å; L279-L283 HydrophobicContact CD1-CG 3.95Å; L279-L283 HydrophobicContact CD2-CD1 4.46Å; L279-L283 HydrophobicContact CG-CD1 3.83Å; L279-L283 HydrophobicContact CG-CG 4.21Å; L279-L283 WeakPolarHBondContact O-CB 3.38Å; L279-L283 VanDerWaalsContact O-CG 3.23Å; L279-L283 WeakPolarHBondContact O-CG 3.28Å; L279-L283 PolarHBondContact O-N 3.03Å; K280-L283 PolarHBondContact O-N 3.47Å; L283-L286 WeakPolarHBondContact O-CB 3.43Å; L283-L286 PolarHBondContact O-N 3.3Å; L283-K287 VanDerWaalsContact O-CB 3.29Å; L283-K287 WeakPolarHBondContact O-CB 3.41Å; L283-K287 PolarHBondContact O-N 3.31Å; L283-E481 HydrophobicContact CD2-CB 3.67Å; L283-E481 HydrophobicContact CD2-CG 3.65Å; L283-I485 HydrophobicContact CD2-CD1 4.42Å |
| 284 | E | 93.4 | Very high | 87.8 | Confident | 96 Ų | 96 | 67.2 Ų | 67.2 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 175.8 | -167.3 | 65.9 | -157.2 | 0 | 0 | 111.1 | K280 V281 K287 E288 | K280-E284 WeakPolarHBondContact O-CB 3.3Å; K280-E284 PolarHBondContact O-N 2.72Å; V281-E284 PolarHBondContact O-N 2.97Å; E284-K287 CarbonylContact O-C 3.6Å; E284-K287 WeakPolarHBondContact O-CB 3.36Å; E284-K287 PolarHBondContact O-N 3.5Å; E284-K287 VanDerWaalsContact O-N 3.16Å; E284-K287 IonicContact OE1-NZ 3.72Å; E284-K287 PolarHBondContact OE1-NZ 2.9Å; E284-K287 IonicContact OE2-NZ 2.79Å; E284-K287 PolarHBondContact OE2-NZ 3.17Å; E284-E288 PolarHBondContact O-N 3.32Å |
| 285 | Q | 91.8 | Very high | 86.2 | Confident | 102 Ų | 102 | 61.2 Ų | 61.2 | 48% | 0.477 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 171 | -74.7 | 173.2 | -0.6 | 0 | 0 | 112.7 | V281 K287 E288 | V281-Q285 VanDerWaalsContact O-CG 3.32Å; V281-Q285 WeakPolarHBondContact O-CG 3.44Å; V281-Q285 PolarHBondContact O-N 3.12Å; Q285-K287 PolarHBondContact O-N 3.43Å; Q285-E288 PolarHBondContact O-N 3.4Å |
| 286 | L | 93.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 174.2 | 179.5 | 68.4 | 0 | 0 | 0 | 111.6 | E282 L283 F290 A410 V411 L477 L480 E481 L484 | E282-L286 WeakPolarHBondContact O-CB 3.42Å; E282-L286 PolarHBondContact O-N 2.99Å; L283-L286 WeakPolarHBondContact O-CB 3.43Å; L283-L286 PolarHBondContact O-N 3.3Å; L286-F290 WeakPolarHBondContact O-CD2 3.5Å; L286-A410 HydrophobicContact CD1-CB 3.93Å; L286-A410 WeakPolarHBondContact CD1-O 3.44Å; L286-V411 HydrophobicContact CB-CG2 4.37Å; L286-V411 HydrophobicContact CD1-CG2 4.03Å; L286-L477 HydrophobicContact CD2-CD1 4.46Å; L286-L477 HydrophobicContact CG-CD1 4.4Å; L286-L480 HydrophobicContact CD1-CB 4.17Å; L286-L480 HydrophobicContact CD1-CD1 4.47Å; L286-L480 HydrophobicContact CD2-CB 3.94Å; L286-L480 HydrophobicContact CG-CB 4.48Å; L286-E481 HydrophobicContact CD2-CB 4.36Å; L286-E481 HydrophobicContact CD2-CG 3.91Å; L286-L484 HydrophobicContact CB-CD1 4.15Å; L286-L484 HydrophobicContact CD2-CB 4.48Å; L286-L484 HydrophobicContact CD2-CD1 4.01Å |
| 287 | K | 93.7 | Very high | 82.1 | Confident | 77 Ų | 77 | 66.3 Ų | 66.3 | 34% | 0.335 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -76.6 | -25.3 | -179.1 | 170.7 | 167.8 | 155.4 | -84.2 | 0 | 114 | L283 E284 Q285 A289 F290 L477 | L283-K287 VanDerWaalsContact O-CB 3.29Å; L283-K287 WeakPolarHBondContact O-CB 3.41Å; L283-K287 PolarHBondContact O-N 3.31Å; E284-K287 CarbonylContact O-C 3.6Å; E284-K287 WeakPolarHBondContact O-CB 3.36Å; E284-K287 PolarHBondContact O-N 3.5Å; E284-K287 VanDerWaalsContact O-N 3.16Å; E284-K287 IonicContact OE1-NZ 3.72Å; E284-K287 PolarHBondContact OE1-NZ 2.9Å; E284-K287 IonicContact OE2-NZ 2.79Å; E284-K287 PolarHBondContact OE2-NZ 3.17Å; Q285-K287 PolarHBondContact O-N 3.43Å; K287-A289 PolarHBondContact O-N 2.69Å; K287-F290 PolarHBondContact O-N 3.22Å; K287-L477 HydrophobicContact CB-CD1 4.07Å; K287-L477 HydrophobicContact CB-CD2 4.31Å; K287-L477 HydrophobicContact CD-CD2 4.14Å; K287-L477 HydrophobicContact CG-CD2 4.07Å |
| 288 | E | 91.5 | Very high | 80 | Confident | 132 Ų | 132 | 71 Ų | 71 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -57.8 | -37.9 | 170.9 | -76.5 | 177.4 | 168.1 | 0 | 0 | 111.5 | E284 Q285 F290 S291 | E284-E288 PolarHBondContact O-N 3.32Å; Q285-E288 PolarHBondContact O-N 3.4Å; E288-F290 PolarHBondContact O-N 3.07Å; E288-F290 VanDerWaalsContact O-N 3.17Å; E288-S291 WeakPolarHBondContact O-CB 3.19Å; E288-S291 PolarHBondContact O-N 2.87Å |
| 289 | A | 90.5 | Very high | 77.8 | Confident | 11 Ų | 11 | 74.4 Ų | 74.4 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -2.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | K287 S414 Q415 | K287-A289 PolarHBondContact O-N 2.69Å; A289-S414 VanDerWaalsContact CB-OG 3.25Å; A289-S414 WeakPolarHBondContact CB-OG 3.16Å; A289-Q415 HydrophobicContact CB-CG 4.07Å |
| 290 | F | 92.4 | Very high | 75.9 | Confident | 7 Ų | 7 | 84 Ų | 84 | 3% | 0.031 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 7.8 | 169.3 | -72.9 | -91.7 | 0 | 0 | 0 | 112.5 | L286 K287 E288 L292 F473 Q474 L476 L477 L480 | L286-F290 WeakPolarHBondContact O-CD2 3.5Å; K287-F290 PolarHBondContact O-N 3.22Å; E288-F290 PolarHBondContact O-N 3.07Å; E288-F290 VanDerWaalsContact O-N 3.17Å; F290-L292 PolarHBondContact O-N 2.69Å; F290-F473 HydrophobicContact CB-CE1 4.41Å; F290-F473 HydrophobicContact CB-CZ 4.42Å; F290-F473 HydrophobicContact CD1-CD1 4.1Å; F290-F473 HydrophobicContact CD1-CD2 4.12Å; F290-F473 AromaticContact CD1-CE1 3.6Å; F290-F473 HydrophobicContact CD1-CE1 3.6Å; F290-F473 AromaticContact CD1-CE2 3.6Å; F290-F473 HydrophobicContact CD1-CE2 3.6Å; F290-F473 HydrophobicContact CD1-CG 4.34Å; F290-F473 AromaticContact CD1-CZ 3.32Å; F290-F473 HydrophobicContact CD1-CZ 3.32Å; F290-F473 AromaticContact CE1-CD2 3.8Å; F290-F473 HydrophobicContact CE1-CD2 3.8Å; F290-F473 HydrophobicContact CE1-CE1 4.25Å; F290-F473 AromaticContact CE1-CE2 3.38Å; F290-F473 HydrophobicContact CE1-CE2 3.38Å; F290-F473 HydrophobicContact CE1-CG 4.37Å; F290-F473 AromaticContact CE1-CZ 3.65Å; F290-F473 HydrophobicContact CE1-CZ 3.65Å; F290-F473 WeakPolarHBondContact CE1-O 3.43Å; F290-F473 HydrophobicContact CG-CE1 4.29Å; F290-F473 AromaticContact CG-CZ 3.95Å; F290-F473 HydrophobicContact CG-CZ 3.95Å; F290-F473 HydrophobicContact CZ-CE2 4.17Å; F290-Q474 PolarHBondContact O-NE2 3.19Å; F290-L476 HydrophobicContact CE1-CB 4.12Å; F290-L476 HydrophobicContact CZ-CB 4.25Å; F290-L477 HydrophobicContact CD1-CB 4.08Å; F290-L477 HydrophobicContact CD2-CB 4.01Å; F290-L477 HydrophobicContact CD2-CD1 3.71Å; F290-L477 HydrophobicContact CD2-CG 4.31Å; F290-L477 HydrophobicContact CE1-CB 3.98Å; F290-L477 HydrophobicContact CE2-CB 3.88Å; F290-L477 HydrophobicContact CE2-CD1 3.73Å; F290-L477 HydrophobicContact CE2-CG 4.39Å; F290-L477 HydrophobicContact CG-CB 4.09Å; F290-L477 HydrophobicContact CG-CD1 4.48Å; F290-L477 HydrophobicContact CZ-CB 3.86Å; F290-L480 HydrophobicContact CE2-CD1 4.03Å; F290-L480 HydrophobicContact CZ-CD1 3.72Å; F290-L480 HydrophobicContact CZ-CG 4.42Å |
| 291 | S | 85.1 | Confident | 73.9 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 43% | 0.427 | 43% | 0.426 | S | S | . | . | trans | -65.2 | 117.2 | 178.6 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | E288 A293 | E288-S291 WeakPolarHBondContact O-CB 3.19Å; E288-S291 PolarHBondContact O-N 2.87Å; S291-A293 PolarHBondContact O-N 3.15Å | ||
| 292 | L | 67.3 | Low | 71.8 | Confident | 47 Ų | 47 | 88.1 Ų | 88.1 | 25% | 0.246 | 44% | 0.442 | C | S | . | . | G | 310 helix | trans | -65.2 | -0.3 | 178.8 | -76.7 | 162.9 | 0 | 0 | 0 | 114.5 | W85 F290 E294 F295 Q470 | W85-L292 HydrophobicContact CH2-CD1 4.47Å; F290-L292 PolarHBondContact O-N 2.69Å; L292-E294 VanDerWaalsContact C-N 3.3Å; L292-E294 PolarHBondContact O-N 3Å; L292-F295 HydrophobicContact CD2-CD2 3.95Å; L292-F295 HydrophobicContact CD2-CE2 4.31Å; L292-F295 HydrophobicContact CD2-CG 4.24Å; L292-F295 WeakPolarHBondContact O-CB 3.18Å; L292-F295 PolarHBondContact O-N 3.33Å; L292-Q470 HydrophobicContact CD2-CB 4.29Å; L292-Q470 HydrophobicContact CD2-CG 4.23Å |
| 293 | A | 61.5 | Low | 69.7 | Low | 65 Ų | 65 | 93.4 Ų | 93.4 | 54% | 0.537 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -61.2 | -36.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S291 F295 C296 | S291-A293 PolarHBondContact O-N 3.15Å; A293-F295 PolarHBondContact O-N 2.84Å; A293-F295 VanDerWaalsContact O-N 3.08Å; A293-C296 PolarHBondContact O-N 3.12Å |
| 294 | E | 57.5 | Low | 67.8 | Low | 96 Ų | 96 | 98.6 Ų | 98.6 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -64.7 | -11.8 | 179.1 | -55.7 | -173.1 | 154.3 | 0 | 0 | 113.4 | L292 S418 I422 | L292-E294 VanDerWaalsContact C-N 3.3Å; L292-E294 PolarHBondContact O-N 3Å; E294-S418 PolarHBondContact OE2-OG 2.93Å; E294-I422 HydrophobicContact CB-CD1 3.82Å |
| 295 | F | 56.2 | Low | 66.2 | Low | 38 Ų | 38 | 95.5 Ų | 95.5 | 17% | 0.167 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -100.4 | -6 | -176.4 | -60.1 | -99 | 0 | 0 | 0 | 113.2 | L292 A293 T421 I422 Q470 F473 | L292-F295 HydrophobicContact CD2-CD2 3.95Å; L292-F295 HydrophobicContact CD2-CE2 4.31Å; L292-F295 HydrophobicContact CD2-CG 4.24Å; L292-F295 WeakPolarHBondContact O-CB 3.18Å; L292-F295 PolarHBondContact O-N 3.33Å; A293-F295 PolarHBondContact O-N 2.84Å; A293-F295 VanDerWaalsContact O-N 3.08Å; F295-T421 HydrophobicContact CD1-CG2 4.41Å; F295-T421 HydrophobicContact CE1-CG2 3.38Å; F295-T421 HydrophobicContact CZ-CG2 3.84Å; F295-I422 HydrophobicContact CD1-CG1 3.75Å; F295-I422 HydrophobicContact CE1-CB 4.37Å; F295-I422 HydrophobicContact CE1-CG1 3.46Å; F295-I422 VanDerWaalsContact CE1-CG1 3.46Å; F295-I422 HydrophobicContact CE2-CG1 4.31Å; F295-I422 HydrophobicContact CG-CG1 4.28Å; F295-I422 HydrophobicContact CZ-CD1 4.48Å; F295-I422 HydrophobicContact CZ-CG1 3.78Å; F295-Q470 HydrophobicContact CD1-CG 4.33Å; F295-F473 HydrophobicContact CE2-CE1 4.29Å; F295-F473 HydrophobicContact CZ-CD1 4.26Å; F295-F473 HydrophobicContact CZ-CE1 4.07Å |
| 296 | C | 46.6 | Very low | 64.8 | Low | 103 Ų | 103 | 93.5 Ų | 93.5 | 70% | 0.696 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -102.7 | -6.6 | -174.4 | -69.2 | 0 | 0 | 0 | 0 | 113.9 | A293 E298 | A293-C296 PolarHBondContact O-N 3.12Å; C296-E298 PolarHBondContact O-N 2.97Å |
| 297 | E | 46.7 | Very low | 63.4 | Low | 155 Ų | 155 | 99.8 Ų | 99.8 | 72% | 0.724 | 50% | 0.502 | S | S | * | . | trans | -82.4 | 98.8 | 176.9 | -61.9 | -160.1 | 152.9 | 0 | 0 | 110.1 | E299 | E297-E299 PolarHBondContact O-N 3.01Š| ||
| 298 | E | 48.6 | Very low | 62.7 | Low | 197 Ų | 197 | 98.6 Ų | 98.6 | 92% | 0.921 | 50% | 0.499 | S | S | * | . | trans | -67.9 | 70.8 | 165 | -69.6 | -169.6 | 120.3 | 0 | 0 | 110.3 | C296 E300 | C296-E298 PolarHBondContact O-N 2.97Å; E298-E300 PolarHBondContact O-N 3.31Å | ||
| 299 | E | 48.2 | Very low | 62.5 | Low | 128 Ų | 128 | 93 Ų | 93 | 60% | 0.598 | 47% | 0.472 | S | S | * | . | trans | -63.2 | 129.6 | 162.3 | -70.3 | -166.2 | 124.6 | 0 | 0 | 109.4 | E297 E301 | E297-E299 PolarHBondContact O-N 3.01Å; E299-E301 HydrophobicContact CB-CG 4.04Å; E299-E301 PolarHBondContact O-N 3.29Å | ||
| 300 | E | 52 | Low | 62.2 | Low | 204 Ų | 204 | 94.7 Ų | 94.7 | 95% | 0.953 | 48% | 0.482 | S | S | * | . | trans | -70.9 | 63 | 172.2 | -66.9 | -170.7 | 120.8 | 0 | 0 | 110.9 | E298 | E298-E300 PolarHBondContact O-N 3.31Š| ||
| 301 | E | 53.7 | Low | 61.9 | Low | 83 Ų | 83 | 99 Ų | 99 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | trans | -69.1 | 133.9 | -179.3 | -70.9 | -142.1 | 97.2 | 0 | 0 | 112.3 | E299 K304 K426 | E299-E301 HydrophobicContact CB-CG 4.04Å; E299-E301 PolarHBondContact O-N 3.29Å; E301-K304 WeakPolarHBondContact OE1-CE 3.47Å; E301-K304 IonicContact OE1-NZ 2.67Å; E301-K304 PolarHBondContact OE1-NZ 3.42Å; E301-K304 IonicContact OE2-NZ 3.87Å; E301-K304 PolarHBondContact OE2-NZ 2.88Å; E301-K426 IonicContact OE2-NZ 3.84Å; E301-K426 PolarHBondContact OE2-NZ 3.44Å | ||
| 302 | E | 49.8 | Very low | 62.1 | Low | 179 Ų | 179 | 99.1 Ų | 99.1 | 84% | 0.836 | 50% | 0.496 | S | S | * | . | trans | -57.9 | 158 | 170.3 | -57.9 | -175.1 | 131.7 | 0 | 0 | 111.3 | K304 | E302-K304 VanDerWaalsContact C-N 3.33Å; E302-K304 PolarHBondContact O-N 2.86Å | ||
| 303 | K | 48.3 | Very low | 63.1 | Low | 170 Ų | 170 | 97.1 Ų | 97.1 | 74% | 0.739 | 49% | 0.486 | S | S | * | . | trans | -65.6 | 88.4 | 175.6 | -83.3 | -156.5 | 171.4 | -161.4 | 0 | 111.7 | E434 | K303-E434 IonicContact NZ-OE1 3.5Å; K303-E434 PolarHBondContact NZ-OE1 3.39Å | ||
| 304 | K | 55.8 | Low | 64.4 | Low | 119 Ų | 119 | 97.7 Ų | 97.7 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | trans | -55.4 | 144.1 | 159.7 | -68.1 | 175 | -176.3 | 163.5 | 0 | 109.7 | E301 E302 D308 | E301-K304 WeakPolarHBondContact OE1-CE 3.47Å; E301-K304 IonicContact OE1-NZ 2.67Å; E301-K304 PolarHBondContact OE1-NZ 3.42Å; E301-K304 IonicContact OE2-NZ 3.87Å; E301-K304 PolarHBondContact OE2-NZ 2.88Å; E302-K304 VanDerWaalsContact C-N 3.33Å; E302-K304 PolarHBondContact O-N 2.86Å; K304-D308 HydrophobicContact CB-CB 4.24Å | ||
| 305 | G | 59 | Low | 66 | Low | 31 Ų | 31 | 98.6 Ų | 98.6 | 32% | 0.32 | 49% | 0.487 | S | S | . | . | trans | -80.1 | 169.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E307 D308 | G305-E307 PolarHBondContact O-N 3.46Å; G305-D308 PolarHBondContact N-OD2 3.28Å; G305-D308 PolarHBondContact O-N 2.86Å | ||
| 306 | D | 62.5 | Low | 67.7 | Low | 60 Ų | 60 | 97.7 Ų | 97.7 | 32% | 0.321 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -52.6 | -40.2 | 169.1 | -171.2 | 14.2 | 0 | 0 | 0 | 111.1 | D308 T310 R333 R341 | D306-D308 VanDerWaalsContact C-N 3.33Å; D306-D308 PolarHBondContact O-N 3.45Å; D306-T310 PolarHBondContact O-OG1 3.23Å; D306-R333 PolarHBondContact O-NH1 2.96Å; D306-R333 IonicContact OD1-CZ 2.99Å; D306-R333 IonicContact OD1-NH1 3.58Å; D306-R333 PolarHBondContact OD1-NH1 3.45Å; D306-R341 IonicContact OD2-CZ 2.73Å; D306-R341 IonicContact OD2-NH1 3.57Å; D306-R341 IonicContact OD2-NH2 3.78Å; D306-R341 PolarHBondContact OD2-NH2 3.46Å |
| 307 | E | 65.7 | Low | 69.7 | Low | 133 Ų | 133 | 93.3 Ų | 93.3 | 62% | 0.621 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.4 | -30.2 | 175.9 | -61 | -167.3 | 175.3 | 0 | 0 | 114.3 | G305 T310 K311 | G305-E307 PolarHBondContact O-N 3.46Å; E307-T310 PolarHBondContact O-N 3.2Å; E307-K311 VanDerWaalsContact CB-NZ 3.26Å; E307-K311 VanDerWaalsContact O-CG 3.29Å; E307-K311 WeakPolarHBondContact O-CG 3.41Å; E307-K311 PolarHBondContact O-N 2.68Å; E307-K311 WeakPolarHBondContact OE2-CE 3.15Å; E307-K311 IonicContact OE2-NZ 2.87Å; E307-K311 PolarHBondContact OE2-NZ 3.34Å |
| 308 | D | 78.3 | Confident | 71.7 | Confident | 52 Ų | 52 | 89.5 Ų | 89.5 | 28% | 0.278 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -77.7 | -49.7 | -163.8 | -58.5 | -28.1 | 0 | 0 | 0 | 111 | K304 G305 D306 T310 K311 D312 | K304-D308 HydrophobicContact CB-CB 4.24Å; G305-D308 PolarHBondContact N-OD2 3.28Å; G305-D308 PolarHBondContact O-N 2.86Å; D306-D308 VanDerWaalsContact C-N 3.33Å; D306-D308 PolarHBondContact O-N 3.45Å; D308-T310 PolarHBondContact O-N 3.32Å; D308-T310 VanDerWaalsContact O-N 3.1Å; D308-K311 CarbonylContact O-C 3.59Å; D308-K311 WeakPolarHBondContact O-CA 3.29Å; D308-K311 WeakPolarHBondContact O-CB 3.47Å; D308-K311 PolarHBondContact O-N 3.41Å; D308-K311 IonicContact OD1-NZ 2.81Å; D308-K311 PolarHBondContact OD1-NZ 3.06Å; D308-D312 WeakPolarHBondContact O-CB 3.46Å; D308-D312 PolarHBondContact O-N 2.94Å |
| 309 | F | 86.1 | Confident | 73.6 | Confident | 13 Ų | 13 | 83.6 Ų | 83.6 | 6% | 0.057 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -49.7 | -39.6 | 167.7 | 171.5 | -92 | 0 | 0 | 0 | 112.6 | I313 L329 R333 V423 E427 | F309-I313 HydrophobicContact CD1-CG1 4.29Å; F309-I313 HydrophobicContact CD2-CG1 3.95Å; F309-I313 HydrophobicContact CE1-CG1 3.98Å; F309-I313 HydrophobicContact CE2-CD1 3.99Å; F309-I313 HydrophobicContact CE2-CG1 3.61Å; F309-I313 HydrophobicContact CG-CG1 4.28Å; F309-I313 HydrophobicContact CZ-CD1 4.2Å; F309-I313 HydrophobicContact CZ-CG1 3.64Å; F309-I313 VanDerWaalsContact O-CB 3.27Å; F309-I313 WeakPolarHBondContact O-CB 3.29Å; F309-I313 VanDerWaalsContact O-CG1 3.26Å; F309-I313 WeakPolarHBondContact O-CG1 3.14Å; F309-I313 PolarHBondContact O-N 2.9Å; F309-L329 HydrophobicContact CZ-CD2 4.37Å; F309-R333 HydrophobicContact CD1-CG 4.09Å; F309-R333 HydrophobicContact CE1-CB 4.2Å; F309-R333 HydrophobicContact CE1-CG 3.67Å; F309-R333 HydrophobicContact CZ-CG 4.27Å; F309-V423 HydrophobicContact CD2-CG1 3.62Å; F309-V423 HydrophobicContact CE2-CG1 3.83Å; F309-E427 HydrophobicContact CD2-CB 3.81Å; F309-E427 HydrophobicContact CD2-CG 3.87Å; F309-E427 WeakPolarHBondContact CD2-OE2 3.42Å; F309-E427 HydrophobicContact CE1-CG 4.49Å; F309-E427 HydrophobicContact CE2-CB 3.49Å; F309-E427 VanDerWaalsContact CE2-CB 3.49Å; F309-E427 HydrophobicContact CE2-CG 3.47Å; F309-E427 VanDerWaalsContact CE2-CG 3.47Å; F309-E427 HydrophobicContact CZ-CB 4.3Å; F309-E427 HydrophobicContact CZ-CG 3.82Å |
| 310 | T | 84.6 | Confident | 75.5 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 29% | 0.288 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.9 | -35 | -178.9 | -56.1 | 0 | 0 | 0 | 0 | 111.7 | D306 E307 D308 T314 | D306-T310 PolarHBondContact O-OG1 3.23Å; E307-T310 PolarHBondContact O-N 3.2Å; D308-T310 PolarHBondContact O-N 3.32Å; D308-T310 VanDerWaalsContact O-N 3.1Å; T310-T314 VanDerWaalsContact O-CB 3.27Å; T310-T314 WeakPolarHBondContact O-CB 3.18Å; T310-T314 PolarHBondContact O-N 3.25Å; T310-T314 PolarHBondContact O-OG1 3.48Å |
| 311 | K | 86.6 | Confident | 77 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.8 | -55.4 | 171.6 | -64.9 | 157.8 | -162.8 | 154.8 | 0 | 110.2 | E307 D308 I313 T314 E315 | E307-K311 VanDerWaalsContact CB-NZ 3.26Å; E307-K311 VanDerWaalsContact O-CG 3.29Å; E307-K311 WeakPolarHBondContact O-CG 3.41Å; E307-K311 PolarHBondContact O-N 2.68Å; E307-K311 WeakPolarHBondContact OE2-CE 3.15Å; E307-K311 IonicContact OE2-NZ 2.87Å; E307-K311 PolarHBondContact OE2-NZ 3.34Å; D308-K311 CarbonylContact O-C 3.59Å; D308-K311 WeakPolarHBondContact O-CA 3.29Å; D308-K311 WeakPolarHBondContact O-CB 3.47Å; D308-K311 PolarHBondContact O-N 3.41Å; D308-K311 IonicContact OD1-NZ 2.81Å; D308-K311 PolarHBondContact OD1-NZ 3.06Å; K311-I313 PolarHBondContact O-N 3.48Å; K311-T314 CarbonylContact O-C 3.59Å; K311-T314 WeakPolarHBondContact O-CA 3.4Å; K311-T314 PolarHBondContact O-N 3.44Å; K311-E315 PolarHBondContact O-N 2.86Å |
| 312 | D | 89.4 | Confident | 78.3 | Confident | 62 Ų | 62 | 70 Ų | 70 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -54.3 | -50.8 | -176.1 | -62.2 | -9.6 | 0 | 0 | 0 | 111.3 | D308 T314 E315 L316 | D308-D312 WeakPolarHBondContact O-CB 3.46Å; D308-D312 PolarHBondContact O-N 2.94Å; D312-T314 PolarHBondContact O-N 2.79Å; D312-E315 PolarHBondContact O-N 3.36Å; D312-L316 WeakPolarHBondContact O-CB 3.33Å; D312-L316 VanDerWaalsContact O-CG 3.29Å; D312-L316 WeakPolarHBondContact O-CG 3.43Å; D312-L316 PolarHBondContact O-N 3.42Å |
| 313 | I | 88.9 | Confident | 79.7 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 175.7 | -69.2 | -67.1 | 0 | 0 | 0 | 111 | F309 K311 E315 L316 F317 P326 L329 M420 V423 L424 | F309-I313 HydrophobicContact CD1-CG1 4.29Å; F309-I313 HydrophobicContact CD2-CG1 3.95Å; F309-I313 HydrophobicContact CE1-CG1 3.98Å; F309-I313 HydrophobicContact CE2-CD1 3.99Å; F309-I313 HydrophobicContact CE2-CG1 3.61Å; F309-I313 HydrophobicContact CG-CG1 4.28Å; F309-I313 HydrophobicContact CZ-CD1 4.2Å; F309-I313 HydrophobicContact CZ-CG1 3.64Å; F309-I313 VanDerWaalsContact O-CB 3.27Å; F309-I313 WeakPolarHBondContact O-CB 3.29Å; F309-I313 VanDerWaalsContact O-CG1 3.26Å; F309-I313 WeakPolarHBondContact O-CG1 3.14Å; F309-I313 PolarHBondContact O-N 2.9Å; K311-I313 PolarHBondContact O-N 3.48Å; I313-E315 VanDerWaalsContact C-N 3.3Å; I313-E315 PolarHBondContact O-N 2.94Å; I313-L316 PolarHBondContact O-N 2.61Å; I313-F317 HydrophobicContact CG2-CD2 3.92Å; I313-F317 HydrophobicContact CG2-CE2 3.86Å; I313-F317 WeakPolarHBondContact O-CD2 3.26Å; I313-F317 PolarHBondContact O-N 2.96Å; I313-P326 HydrophobicContact CG2-CB 3.69Å; I313-P326 HydrophobicContact CG2-CG 4.03Å; I313-L329 HydrophobicContact CD1-CD2 4.47Å; I313-L329 HydrophobicContact CG2-CD2 4.07Å; I313-M420 HydrophobicContact CD1-SD 3.55Å; I313-M420 VanDerWaalsContact CD1-SD 3.55Å; I313-V423 HydrophobicContact CD1-CB 4.27Å; I313-V423 HydrophobicContact CD1-CG1 3.68Å; I313-V423 HydrophobicContact CG1-CG1 3.99Å; I313-L424 HydrophobicContact CD1-CD2 4.32Å; I313-L424 HydrophobicContact CD1-CG 4.48Å |
| 314 | T | 88.4 | Confident | 81.3 | Confident | 78 Ų | 78 | 59.7 Ų | 59.7 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.2 | -36.9 | -179.4 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | T310 K311 D312 S318 | T310-T314 VanDerWaalsContact O-CB 3.27Å; T310-T314 WeakPolarHBondContact O-CB 3.18Å; T310-T314 PolarHBondContact O-N 3.25Å; T310-T314 PolarHBondContact O-OG1 3.48Å; K311-T314 CarbonylContact O-C 3.59Å; K311-T314 WeakPolarHBondContact O-CA 3.4Å; K311-T314 PolarHBondContact O-N 3.44Å; D312-T314 PolarHBondContact O-N 2.79Å; T314-S318 PolarHBondContact O-N 3.44Å |
| 315 | E | 91.7 | Very high | 82.5 | Confident | 114 Ų | 114 | 60.7 Ų | 60.7 | 53% | 0.533 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68 | -52.4 | 175.5 | 179.6 | 167.3 | 172.5 | 0 | 0 | 111.5 | K311 D312 I313 F317 S318 Q319 | K311-E315 PolarHBondContact O-N 2.86Å; D312-E315 PolarHBondContact O-N 3.36Å; I313-E315 VanDerWaalsContact C-N 3.3Å; I313-E315 PolarHBondContact O-N 2.94Å; E315-F317 PolarHBondContact O-N 2.85Å; E315-S318 WeakPolarHBondContact O-CA 3.32Å; E315-S318 WeakPolarHBondContact O-CB 3.42Å; E315-S318 PolarHBondContact O-N 3.15Å; E315-S318 PolarHBondContact O-OG 3.41Å; E315-Q319 PolarHBondContact O-N 2.94Å; E315-Q319 PolarHBondContact OE1-NE2 2.99Å |
| 316 | L | 92 | Very high | 83.8 | Confident | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55.6 | -37.5 | 177.6 | -70.2 | 169.9 | 0 | 0 | 0 | 111.5 | D312 I313 S318 Q319 L320 T416 Q419 M420 V423 | D312-L316 WeakPolarHBondContact O-CB 3.33Å; D312-L316 VanDerWaalsContact O-CG 3.29Å; D312-L316 WeakPolarHBondContact O-CG 3.43Å; D312-L316 PolarHBondContact O-N 3.42Å; I313-L316 PolarHBondContact O-N 2.61Å; L316-S318 PolarHBondContact O-N 3.23Å; L316-Q319 PolarHBondContact O-N 3.03Å; L316-L320 WeakPolarHBondContact O-CG 3.3Å; L316-L320 PolarHBondContact O-N 3.08Å; L316-L320 VanDerWaalsContact O-N 3.13Å; L316-T416 HydrophobicContact CB-CG2 4.13Å; L316-T416 HydrophobicContact CD2-CG2 3.94Å; L316-T416 WeakPolarHBondContact O-CG2 3.44Å; L316-Q419 HydrophobicContact CD1-CB 4.42Å; L316-Q419 HydrophobicContact CD2-CB 3.96Å; L316-M420 HydrophobicContact CB-CE 3.5Å; L316-M420 VanDerWaalsContact CB-CE 3.5Å; L316-M420 HydrophobicContact CB-SD 4.13Å; L316-M420 HydrophobicContact CD1-SD 4.34Å; L316-V423 HydrophobicContact CD1-CG2 4.19Å |
| 317 | F | 87.8 | Confident | 85 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 173 | -97.4 | -105.1 | 0 | 0 | 0 | 114.3 | I313 E315 Q319 L320 P326 L392 M420 | I313-F317 HydrophobicContact CG2-CD2 3.92Å; I313-F317 HydrophobicContact CG2-CE2 3.86Å; I313-F317 WeakPolarHBondContact O-CD2 3.26Å; I313-F317 PolarHBondContact O-N 2.96Å; E315-F317 PolarHBondContact O-N 2.85Å; F317-Q319 VanDerWaalsContact C-N 3.31Å; F317-L320 PolarHBondContact O-N 3.23Å; F317-P326 HydrophobicContact CD1-CG 4.37Å; F317-P326 HydrophobicContact CD2-CB 4.05Å; F317-P326 HydrophobicContact CD2-CG 4.06Å; F317-P326 HydrophobicContact CE1-CB 4.13Å; F317-P326 HydrophobicContact CE1-CG 4.39Å; F317-P326 HydrophobicContact CE2-CB 3.58Å; F317-P326 HydrophobicContact CE2-CG 4.11Å; F317-P326 HydrophobicContact CG-CB 4.46Å; F317-P326 HydrophobicContact CG-CG 4.13Å; F317-P326 HydrophobicContact CZ-CB 3.56Å; F317-P326 HydrophobicContact CZ-CG 4.21Å; F317-L392 HydrophobicContact CE1-CD1 4.2Å; F317-L392 HydrophobicContact CE1-CG 4.27Å; F317-L392 HydrophobicContact CE2-CD1 4.42Å; F317-L392 HydrophobicContact CE2-CD2 3.62Å; F317-L392 HydrophobicContact CE2-CG 4.12Å; F317-L392 HydrophobicContact CZ-CD1 3.46Å; F317-L392 VanDerWaalsContact CZ-CD1 3.46Å; F317-L392 HydrophobicContact CZ-CD2 3.45Å; F317-L392 VanDerWaalsContact CZ-CD2 3.45Å; F317-L392 HydrophobicContact CZ-CG 3.42Å; F317-L392 VanDerWaalsContact CZ-CG 3.42Å; F317-M420 HydrophobicContact CD2-CE 3.37Å; F317-M420 HydrophobicContact CD2-SD 3.98Å; F317-M420 HydrophobicContact CE2-CE 3.69Å; F317-M420 HydrophobicContact CE2-SD 3.87Å; F317-M420 HydrophobicContact CG-CE 4.24Å |
| 318 | S | 88.2 | Confident | 86.2 | Confident | 74 Ų | 74 | 59.4 Ų | 59.4 | 52% | 0.517 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.2 | 74.9 | 0 | 0 | 0 | 0 | 110.6 | T314 E315 L316 L320 H321 | T314-S318 PolarHBondContact O-N 3.44Å; E315-S318 WeakPolarHBondContact O-CA 3.32Å; E315-S318 WeakPolarHBondContact O-CB 3.42Å; E315-S318 PolarHBondContact O-N 3.15Å; E315-S318 PolarHBondContact O-OG 3.41Å; L316-S318 PolarHBondContact O-N 3.23Å; S318-L320 VanDerWaalsContact C-N 3.29Å; S318-L320 PolarHBondContact O-N 3.09Å; S318-H321 PolarHBondContact O-CD2 3.37Å; S318-H321 PolarHBondContact O-N 3.05Å |
| 319 | Q | 89.8 | Confident | 86.9 | Confident | 73 Ų | 73 | 57 Ų | 57 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -27.7 | 176.7 | -62.7 | 175.5 | 9 | 0 | 0 | 113.3 | E315 L316 F317 H321 T416 | E315-Q319 PolarHBondContact O-N 2.94Å; E315-Q319 PolarHBondContact OE1-NE2 2.99Å; L316-Q319 PolarHBondContact O-N 3.03Å; F317-Q319 VanDerWaalsContact C-N 3.31Å; Q319-H321 PolarHBondContact O-N 2.65Å; Q319-T416 HydrophobicContact CB-CG2 3.89Å |
| 320 | L | 87.3 | Confident | 87.2 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -17.7 | 172.5 | -67.2 | 177.8 | 0 | 0 | 0 | 113.8 | L316 F317 S318 V322 T396 R413 T416 L417 M420 | L316-L320 WeakPolarHBondContact O-CG 3.3Å; L316-L320 PolarHBondContact O-N 3.08Å; L316-L320 VanDerWaalsContact O-N 3.13Å; F317-L320 PolarHBondContact O-N 3.23Å; S318-L320 VanDerWaalsContact C-N 3.29Å; S318-L320 PolarHBondContact O-N 3.09Å; L320-V322 HydrophobicContact CB-CG1 4.35Å; L320-V322 HydrophobicContact CB-CG2 3.98Å; L320-V322 PolarHBondContact O-N 3.46Å; L320-T396 HydrophobicContact CD1-CG2 4.37Å; L320-R413 HydrophobicContact CD2-CG 4.25Å; L320-R413 PolarHBondContact O-NE 2.91Å; L320-R413 PolarHBondContact O-NH2 2.88Å; L320-T416 HydrophobicContact CD2-CG2 3.58Å; L320-T416 HydrophobicContact CG-CG2 3.78Å; L320-L417 HydrophobicContact CD1-CD2 4.24Å; L320-L417 HydrophobicContact CD2-CD1 4.46Å; L320-L417 HydrophobicContact CD2-CD2 4.1Å; L320-L417 HydrophobicContact CD2-CG 3.8Å; L320-M420 HydrophobicContact CD1-CE 3.86Å |
| 321 | H | 82.9 | Confident | 87.6 | Confident | 103 Ų | 103 | 61.9 Ų | 61.9 | 48% | 0.477 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 43.9 | -174.6 | -79.5 | -119.9 | 0 | 0 | 0 | 112.8 | S318 Q319 E407 V408 | S318-H321 PolarHBondContact O-CD2 3.37Å; S318-H321 PolarHBondContact O-N 3.05Å; Q319-H321 PolarHBondContact O-N 2.65Å; H321-E407 IonicContact CE1-OE2 2.94Å; H321-E407 IonicContact CG-OE2 2.66Å; H321-E407 IonicContact ND1-OE2 2.63Å; H321-E407 PolarHBondContact ND1-OE2 2.86Å; H321-V408 HydrophobicContact CB-CG2 3.89Å; H321-V408 VanDerWaalsContact CD2-CG2 3.41Å; H321-V408 WeakPolarHBondContact CD2-CG2 3.28Å |
| 322 | V | 82.1 | Confident | 88 | Confident | 24 Ų | 24 | 57.4 Ų | 57.4 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | trans | -106 | 149.2 | 174.2 | -67.5 | 0 | 0 | 0 | 0 | 111.2 | L320 S324 T396 L399 | L320-V322 HydrophobicContact CB-CG1 4.35Å; L320-V322 HydrophobicContact CB-CG2 3.98Å; L320-V322 PolarHBondContact O-N 3.46Å; V322-S324 PolarHBondContact O-N 2.88Å; V322-T396 HydrophobicContact CG1-CG2 4.32Å; V322-L399 HydrophobicContact CB-CD1 4.03Å; V322-L399 HydrophobicContact CG1-CB 4.3Å | ||
| 323 | S | 79.5 | Confident | 88.2 | Confident | 108 Ų | 108 | 54.9 Ų | 54.9 | 76% | 0.755 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -75.7 | 1.5 | 179.6 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 324 | S | 79.9 | Confident | 88.3 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | trans | -91.2 | 158.9 | 176.9 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | V322 | V322-S324 PolarHBondContact O-N 2.88Š| ||
| 325 | K | 82.5 | Confident | 88.6 | Confident | 140 Ų | 140 | 57.1 Ų | 57.1 | 61% | 0.609 | 30% | 0.295 | S | S | * | . | trans | -129 | 154.3 | 179.8 | -69 | 178.1 | 174.6 | -176.3 | 0 | 112 | E327 | K325-E327 HydrophobicContact CB-CG 3.85Å; K325-E327 HydrophobicContact CD-CG 4.13Å; K325-E327 WeakPolarHBondContact CD-OE1 3.34Å; K325-E327 IonicContact NZ-OE1 3.94Å; K325-E327 PolarHBondContact NZ-OE1 3.14Å; K325-E327 PolarHBondContact O-N 3.41Å | ||
| 326 | P | 85.7 | Confident | 88.8 | Confident | 15 Ų | 15 | 51.8 Ų | 51.8 | 10% | 0.097 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -72.2 | 12.2 | 179.3 | 26.1 | -30.8 | 0 | 0 | 0 | 115.3 | I313 F317 K328 L329 A330 | I313-P326 HydrophobicContact CG2-CB 3.69Å; I313-P326 HydrophobicContact CG2-CG 4.03Å; F317-P326 HydrophobicContact CD1-CG 4.37Å; F317-P326 HydrophobicContact CD2-CB 4.05Å; F317-P326 HydrophobicContact CD2-CG 4.06Å; F317-P326 HydrophobicContact CE1-CB 4.13Å; F317-P326 HydrophobicContact CE1-CG 4.39Å; F317-P326 HydrophobicContact CE2-CB 3.58Å; F317-P326 HydrophobicContact CE2-CG 4.11Å; F317-P326 HydrophobicContact CG-CB 4.46Å; F317-P326 HydrophobicContact CG-CG 4.13Å; F317-P326 HydrophobicContact CZ-CB 3.56Å; F317-P326 HydrophobicContact CZ-CG 4.21Å; P326-K328 VanDerWaalsContact C-N 3.25Å; P326-K328 PolarHBondContact O-N 2.91Å; P326-L329 WeakPolarHBondContact O-CB 3.49Å; P326-L329 PolarHBondContact O-N 3.32Å; P326-A330 PolarHBondContact O-N 3.11Å |
| 327 | E | 88.1 | Confident | 88.8 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.7 | -29.2 | -164.5 | -58.9 | -177.6 | -174.1 | 0 | 0 | 115 | K325 R331 | K325-E327 HydrophobicContact CB-CG 3.85Å; K325-E327 HydrophobicContact CD-CG 4.13Å; K325-E327 WeakPolarHBondContact CD-OE1 3.34Å; K325-E327 IonicContact NZ-OE1 3.94Å; K325-E327 PolarHBondContact NZ-OE1 3.14Å; K325-E327 PolarHBondContact O-N 3.41Å; E327-R331 WeakPolarHBondContact O-CB 3.26Å; E327-R331 VanDerWaalsContact O-CG 3.28Å; E327-R331 WeakPolarHBondContact O-CG 3.43Å; E327-R331 PolarHBondContact O-N 3.01Å; E327-R331 PolarHBondContact O-NE 3.32Å; E327-R331 PolarHBondContact O-NH1 2.96Å; E327-R331 IonicContact OE2-NH1 2.79Å |
| 328 | K | 91.3 | Very high | 89 | Confident | 85 Ų | 85 | 55.6 Ų | 55.6 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.1 | -54.8 | 172.9 | -90.3 | -174.9 | 163.2 | -173.5 | 0 | 111.5 | P326 A330 R331 A332 E391 | P326-K328 VanDerWaalsContact C-N 3.25Å; P326-K328 PolarHBondContact O-N 2.91Å; K328-A330 VanDerWaalsContact C-N 3.33Å; K328-A330 PolarHBondContact O-N 3.02Å; K328-R331 PolarHBondContact O-N 2.78Å; K328-R331 VanDerWaalsContact O-N 3.09Å; K328-A332 PolarHBondContact O-N 3.34Å; K328-E391 WeakPolarHBondContact CD-OE1 3.44Å; K328-E391 WeakPolarHBondContact CD-OE2 3.44Å; K328-E391 WeakPolarHBondContact CE-OE2 3.46Å; K328-E391 IonicContact NZ-OE1 2.7Å; K328-E391 PolarHBondContact NZ-OE1 3.43Å; K328-E391 IonicContact NZ-OE2 3.48Å; K328-E391 PolarHBondContact NZ-OE2 2.95Å |
| 329 | L | 93.1 | Very high | 89.3 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -53.3 | -49.6 | 178.1 | -179.1 | 79.3 | 0 | 0 | 0 | 111.1 | F309 I313 P326 R331 A332 R333 L385 C388 S389 L392 L424 | F309-L329 HydrophobicContact CZ-CD2 4.37Å; I313-L329 HydrophobicContact CD1-CD2 4.47Å; I313-L329 HydrophobicContact CG2-CD2 4.07Å; P326-L329 WeakPolarHBondContact O-CB 3.49Å; P326-L329 PolarHBondContact O-N 3.32Å; L329-R331 PolarHBondContact O-N 3.25Å; L329-A332 PolarHBondContact O-N 2.89Å; L329-R333 VanDerWaalsContact O-CB 3.3Å; L329-R333 WeakPolarHBondContact O-CB 3.33Å; L329-R333 PolarHBondContact O-N 3.33Å; L329-L385 HydrophobicContact CD1-CD1 3.65Å; L329-L385 HydrophobicContact CD1-CG 4.18Å; L329-L385 HydrophobicContact CG-CD1 4.34Å; L329-C388 HydrophobicContact CB-CB 4.19Å; L329-C388 HydrophobicContact CD1-CB 4.03Å; L329-S389 WeakPolarHBondContact CD1-OG 3.28Å; L329-L392 HydrophobicContact CD2-CD2 4.21Å; L329-L424 HydrophobicContact CD1-CD2 3.82Å; L329-L424 HydrophobicContact CD2-CD2 3.74Å; L329-L424 HydrophobicContact CG-CD2 4.37Å |
| 330 | A | 91.9 | Very high | 89.4 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -39.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P326 K328 N334 | P326-A330 PolarHBondContact O-N 3.11Å; K328-A330 VanDerWaalsContact C-N 3.33Å; K328-A330 PolarHBondContact O-N 3.02Å; A330-N334 VanDerWaalsContact O-CB 3.24Å; A330-N334 WeakPolarHBondContact O-CB 3.38Å; A330-N334 PolarHBondContact O-N 3.41Å; A330-N334 PolarHBondContact O-OD1 2.9Å; A330-N334 VanDerWaalsContact O-OD1 3.12Å |
| 331 | R | 92.1 | Very high | 89.5 | Confident | 137 Ų | 137 | 57.1 Ų | 57.1 | 52% | 0.517 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.4 | -43.2 | 175.6 | -77.9 | -173.3 | -55.8 | -98.5 | -0.5 | 112.8 | E327 K328 L329 T335 | E327-R331 WeakPolarHBondContact O-CB 3.26Å; E327-R331 VanDerWaalsContact O-CG 3.28Å; E327-R331 WeakPolarHBondContact O-CG 3.43Å; E327-R331 PolarHBondContact O-N 3.01Å; E327-R331 PolarHBondContact O-NE 3.32Å; E327-R331 PolarHBondContact O-NH1 2.96Å; E327-R331 IonicContact OE2-NH1 2.79Å; K328-R331 PolarHBondContact O-N 2.78Å; K328-R331 VanDerWaalsContact O-N 3.09Å; L329-R331 PolarHBondContact O-N 3.25Å; R331-T335 VanDerWaalsContact O-CB 3.29Å; R331-T335 WeakPolarHBondContact O-CB 3.33Å; R331-T335 PolarHBondContact O-N 2.86Å; R331-T335 PolarHBondContact O-OG1 2.92Å |
| 332 | A | 94.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.3 | -50.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K328 L329 N334 T335 A336 E384 L385 | K328-A332 PolarHBondContact O-N 3.34Å; L329-A332 PolarHBondContact O-N 2.89Å; A332-N334 PolarHBondContact O-N 3.18Å; A332-T335 PolarHBondContact O-N 3.49Å; A332-A336 PolarHBondContact O-N 3.2Å; A332-E384 HydrophobicContact CB-CG 3.79Å; A332-L385 HydrophobicContact CB-CD1 4.4Å |
| 333 | R | 93.8 | Very high | 89.8 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57 | -49.6 | 177.5 | -167.6 | -89.7 | -179.2 | 143.8 | 19 | 112.7 | D306 F309 L329 A336 H337 L385 E427 | D306-R333 PolarHBondContact O-NH1 2.96Å; D306-R333 IonicContact OD1-CZ 2.99Å; D306-R333 IonicContact OD1-NH1 3.58Å; D306-R333 PolarHBondContact OD1-NH1 3.45Å; F309-R333 HydrophobicContact CD1-CG 4.09Å; F309-R333 HydrophobicContact CE1-CB 4.2Å; F309-R333 HydrophobicContact CE1-CG 3.67Å; F309-R333 HydrophobicContact CZ-CG 4.27Å; L329-R333 VanDerWaalsContact O-CB 3.3Å; L329-R333 WeakPolarHBondContact O-CB 3.33Å; L329-R333 PolarHBondContact O-N 3.33Å; R333-A336 PolarHBondContact O-N 2.76Å; R333-H337 PolarHBondContact NE-CE1 2.98Å; R333-H337 VanDerWaalsContact NE-CE1 3.34Å; R333-H337 PolarHBondContact NE-ND1 3.24Å; R333-H337 PolarHBondContact O-N 3.03Å; R333-H337 PolarHBondContact O-ND1 3.28Å; R333-L385 HydrophobicContact CB-CD1 3.83Å; R333-L385 HydrophobicContact CG-CD1 4.42Å; R333-E427 HydrophobicContact CG-CG 4.33Å; R333-E427 WeakPolarHBondContact CG-OE1 3.43Å; R333-E427 IonicContact CZ-OE1 2.87Å; R333-E427 IonicContact CZ-OE2 2.62Å; R333-E427 IonicContact NE-OE1 2.68Å; R333-E427 PolarHBondContact NE-OE1 3.44Å; R333-E427 IonicContact NE-OE2 3.21Å; R333-E427 IonicContact NH2-OE1 2.69Å; R333-E427 PolarHBondContact NH2-OE1 3.39Å; R333-E427 IonicContact NH2-OE2 2.72Å; R333-E427 PolarHBondContact NH2-OE2 3.04Å |
| 334 | N | 92.4 | Very high | 89.9 | Confident | 60 Ų | 60 | 56.8 Ų | 56.8 | 32% | 0.321 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.4 | -35.2 | -179.1 | -66.9 | 8.3 | 0 | 0 | 0 | 111.7 | A330 A332 A336 H337 E338 | A330-N334 VanDerWaalsContact O-CB 3.24Å; A330-N334 WeakPolarHBondContact O-CB 3.38Å; A330-N334 PolarHBondContact O-N 3.41Å; A330-N334 PolarHBondContact O-OD1 2.9Å; A330-N334 VanDerWaalsContact O-OD1 3.12Å; A332-N334 PolarHBondContact O-N 3.18Å; N334-A336 VanDerWaalsContact C-N 3.33Å; N334-A336 PolarHBondContact O-N 3.4Å; N334-H337 PolarHBondContact O-N 2.69Å; N334-E338 WeakPolarHBondContact O-CB 3.43Å; N334-E338 PolarHBondContact O-N 3.46Å |
| 335 | T | 94.1 | Very high | 89.7 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 44% | 0.436 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.7 | -59.1 | 0 | 0 | 0 | 0 | 111 | R331 A332 W339 | R331-T335 VanDerWaalsContact O-CB 3.29Å; R331-T335 WeakPolarHBondContact O-CB 3.33Å; R331-T335 PolarHBondContact O-N 2.86Å; R331-T335 PolarHBondContact O-OG1 2.92Å; A332-T335 PolarHBondContact O-N 3.49Å; T335-W339 WeakPolarHBondContact O-CB 3.39Å; T335-W339 PolarHBondContact O-N 3.13Å; T335-W339 VanDerWaalsContact O-N 3.13Å |
| 336 | A | 94.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.8 | -47.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A332 R333 N334 W339 I340 L431 F435 | A332-A336 PolarHBondContact O-N 3.2Å; R333-A336 PolarHBondContact O-N 2.76Å; N334-A336 VanDerWaalsContact C-N 3.33Å; N334-A336 PolarHBondContact O-N 3.4Å; A336-W339 PolarHBondContact O-N 2.94Å; A336-I340 WeakPolarHBondContact O-CG1 3.36Å; A336-I340 PolarHBondContact O-N 2.94Å; A336-L431 HydrophobicContact CB-CD1 3.85Å; A336-L431 HydrophobicContact CB-CD2 4.42Å; A336-F435 HydrophobicContact CB-CZ 4.37Å |
| 337 | H | 92.9 | Very high | 86.7 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 7% | 0.069 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 179.8 | -75.3 | 78.8 | 0 | 0 | 0 | 113.4 | R333 N334 W339 I340 R341 E427 | R333-H337 PolarHBondContact NE-CE1 2.98Å; R333-H337 VanDerWaalsContact NE-CE1 3.34Å; R333-H337 PolarHBondContact NE-ND1 3.24Å; R333-H337 PolarHBondContact O-N 3.03Å; R333-H337 PolarHBondContact O-ND1 3.28Å; N334-H337 PolarHBondContact O-N 2.69Å; H337-W339 VanDerWaalsContact C-N 3.31Å; H337-W339 PolarHBondContact O-N 2.93Å; H337-I340 PolarHBondContact O-N 3.05Å; H337-R341 WeakPolarHBondContact O-CB 3.29Å; H337-R341 PolarHBondContact O-N 3.37Å; H337-E427 IonicContact CE1-OE1 3.29Å; H337-E427 PolarHBondContact CE1-OE1 3.5Å; H337-E427 IonicContact ND1-OE1 2.61Å; H337-E427 IonicContact NE2-OE1 2.71Å |
| 338 | E | 92.3 | Very high | 84.3 | Confident | 96 Ų | 96 | 66.8 Ų | 66.8 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 171 | -87.6 | -162.6 | -143 | 0 | 0 | 111.9 | N334 K342 | N334-E338 WeakPolarHBondContact O-CB 3.43Å; N334-E338 PolarHBondContact O-N 3.46Å; E338-K342 WeakPolarHBondContact O-CB 3.48Å; E338-K342 VanDerWaalsContact O-CD 3.26Å; E338-K342 WeakPolarHBondContact O-CD 3.28Å; E338-K342 WeakPolarHBondContact O-CG 3.48Å; E338-K342 PolarHBondContact O-N 2.95Å; E338-K342 WeakPolarHBondContact OE2-CE 3.37Å; E338-K342 IonicContact OE2-NZ 3.56Å; E338-K342 PolarHBondContact OE2-NZ 3.47Å |
| 339 | W | 93.4 | Very high | 81.8 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 20% | 0.197 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.2 | -41.8 | 179.7 | -173.7 | 103.3 | 0 | 0 | 0 | 111.9 | T335 A336 H337 K342 S343 N369 I374 F377 F435 | T335-W339 WeakPolarHBondContact O-CB 3.39Å; T335-W339 PolarHBondContact O-N 3.13Å; T335-W339 VanDerWaalsContact O-N 3.13Å; A336-W339 PolarHBondContact O-N 2.94Å; H337-W339 VanDerWaalsContact C-N 3.31Å; H337-W339 PolarHBondContact O-N 2.93Å; W339-K342 PolarHBondContact O-N 2.85Å; W339-S343 WeakPolarHBondContact CZ3-OG 3.41Å; W339-S343 WeakPolarHBondContact O-CB 3.26Å; W339-S343 PolarHBondContact O-N 2.94Å; W339-S343 PolarHBondContact O-OG 3.01Å; W339-N369 HydrophobicContact CZ2-CB 4.4Å; W339-N369 WeakPolarHBondContact CZ2-ND2 3.5Å; W339-I374 HydrophobicContact CH2-CB 4.09Å; W339-I374 HydrophobicContact CH2-CG1 3.77Å; W339-I374 HydrophobicContact CH2-CG2 4.22Å; W339-I374 HydrophobicContact CZ3-CG2 4.38Å; W339-F377 HydrophobicContact CB-CD1 4.39Å; W339-F377 HydrophobicContact CB-CE1 3.52Å; W339-F377 HydrophobicContact CB-CE2 4.3Å; W339-F377 HydrophobicContact CB-CZ 3.46Å; W339-F377 VanDerWaalsContact CB-CZ 3.46Å; W339-F377 AromaticContact CD1-CD2 3.91Å; W339-F377 AromaticContact CD1-CE2 3.59Å; W339-F377 AromaticContact CD1-CZ 3.65Å; W339-F377 AromaticContact CD2-CD1 3.37Å; W339-F377 HydrophobicContact CD2-CD1 3.37Å; W339-F377 HydrophobicContact CD2-CD2 4.21Å; W339-F377 AromaticContact CD2-CE1 3.44Å; W339-F377 HydrophobicContact CD2-CE1 3.44Å; W339-F377 VanDerWaalsContact CD2-CE1 3.44Å; W339-F377 HydrophobicContact CD2-CE2 4.27Å; W339-F377 AromaticContact CD2-CG 3.78Å; W339-F377 HydrophobicContact CD2-CG 3.78Å; W339-F377 AromaticContact CD2-CZ 3.92Å; W339-F377 HydrophobicContact CD2-CZ 3.92Å; W339-F377 AromaticContact CE2-CD1 3.73Å; W339-F377 AromaticContact CE2-CD2 3.93Å; W339-F377 AromaticContact CE2-CG 3.61Å; W339-F377 AromaticContact CE3-CD1 3.43Å; W339-F377 HydrophobicContact CE3-CD1 3.43Å; W339-F377 VanDerWaalsContact CE3-CD1 3.43Å; W339-F377 AromaticContact CE3-CE1 3.68Å; W339-F377 HydrophobicContact CE3-CE1 3.68Å; W339-F377 HydrophobicContact CE3-CG 4.16Å; W339-F377 AromaticContact CG-CD1 3.82Å; W339-F377 HydrophobicContact CG-CD1 3.82Å; W339-F377 HydrophobicContact CG-CD2 4.21Å; W339-F377 AromaticContact CG-CE1 3.38Å; W339-F377 HydrophobicContact CG-CE1 3.38Å; W339-F377 AromaticContact CG-CE2 3.82Å; W339-F377 HydrophobicContact CG-CE2 3.82Å; W339-F377 HydrophobicContact CG-CG 4.21Å; W339-F377 AromaticContact CG-CZ 3.39Å; W339-F377 HydrophobicContact CG-CZ 3.39Å; W339-F377 HydrophobicContact CH2-CB 4.11Å; W339-F377 HydrophobicContact CH2-CD1 4.25Å; W339-F377 HydrophobicContact CH2-CG 4.32Å; W339-F377 HydrophobicContact CZ2-CB 3.82Å; W339-F377 HydrophobicContact CZ2-CD1 4.15Å; W339-F377 AromaticContact CZ2-CG 3.9Å; W339-F377 HydrophobicContact CZ2-CG 3.9Å; W339-F377 AromaticContact CZ3-CD1 3.91Å; W339-F377 HydrophobicContact CZ3-CD1 3.91Å; W339-F377 HydrophobicContact CZ3-CG 4.44Å; W339-F377 AromaticContact NE1-CD2 3.73Å; W339-F377 AromaticContact NE1-CE2 3.91Å; W339-F377 AromaticContact NE1-CG 3.92Å; W339-F435 AromaticContact CE3-CE1 3.92Å; W339-F435 HydrophobicContact CE3-CE1 3.92Å; W339-F435 HydrophobicContact CZ3-CD1 4.31Å; W339-F435 AromaticContact CZ3-CE1 3.89Å; W339-F435 HydrophobicContact CZ3-CE1 3.89Å |
| 340 | I | 91.9 | Very high | 79.4 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.01 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59 | -50 | 172.8 | -73.7 | 165.2 | 0 | 0 | 0 | 110.1 | A336 H337 K342 S343 L344 L431 E434 F435 | A336-I340 WeakPolarHBondContact O-CG1 3.36Å; A336-I340 PolarHBondContact O-N 2.94Å; H337-I340 PolarHBondContact O-N 3.05Å; I340-K342 VanDerWaalsContact C-N 3.34Å; I340-K342 PolarHBondContact O-N 3.39Å; I340-S343 PolarHBondContact O-N 3.16Å; I340-L344 HydrophobicContact CG2-CD1 3.7Å; I340-L344 HydrophobicContact CG2-CG 4.38Å; I340-L344 WeakPolarHBondContact O-CG 3.18Å; I340-L344 PolarHBondContact O-N 3.33Å; I340-L431 HydrophobicContact CD1-CD1 3.48Å; I340-L431 VanDerWaalsContact CD1-CD1 3.48Å; I340-E434 HydrophobicContact CD1-CB 4.03Å; I340-E434 HydrophobicContact CG2-CB 4.13Å; I340-F435 HydrophobicContact CD1-CD1 3.97Å; I340-F435 HydrophobicContact CD1-CD2 4.39Å; I340-F435 HydrophobicContact CD1-CE1 3.68Å; I340-F435 HydrophobicContact CD1-CE2 4.14Å; I340-F435 HydrophobicContact CD1-CG 4.3Å; I340-F435 HydrophobicContact CD1-CZ 3.77Å; I340-F435 HydrophobicContact CG1-CD1 3.83Å; I340-F435 HydrophobicContact CG1-CE1 3.46Å; I340-F435 VanDerWaalsContact CG1-CE1 3.46Å; I340-F435 HydrophobicContact CG1-CZ 4.01Å |
| 341 | R | 90.4 | Very high | 76.7 | Confident | 127 Ų | 127 | 80.2 Ų | 80.2 | 48% | 0.479 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56 | -46.2 | 177.1 | -172.5 | 179.9 | -59.5 | 154.3 | 6.7 | 111.7 | D306 H337 S343 T345 | D306-R341 IonicContact OD2-CZ 2.73Å; D306-R341 IonicContact OD2-NH1 3.57Å; D306-R341 IonicContact OD2-NH2 3.78Å; D306-R341 PolarHBondContact OD2-NH2 3.46Å; H337-R341 WeakPolarHBondContact O-CB 3.29Å; H337-R341 PolarHBondContact O-N 3.37Å; R341-S343 VanDerWaalsContact C-N 3.32Å; R341-S343 PolarHBondContact O-N 3.1Å; R341-T345 WeakPolarHBondContact O-CB 3.31Å; R341-T345 PolarHBondContact O-N 3.37Å; R341-T345 VanDerWaalsContact O-N 3.09Å; R341-T345 PolarHBondContact O-OG1 2.65Å |
| 342 | K | 88.1 | Confident | 74.3 | Confident | 128 Ų | 128 | 83 Ų | 83 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.7 | -31.8 | 176.5 | -70.8 | 161.2 | -164.2 | 168.8 | 0 | 112.9 | E338 W339 I340 | E338-K342 WeakPolarHBondContact O-CB 3.48Å; E338-K342 VanDerWaalsContact O-CD 3.26Å; E338-K342 WeakPolarHBondContact O-CD 3.28Å; E338-K342 WeakPolarHBondContact O-CG 3.48Å; E338-K342 PolarHBondContact O-N 2.95Å; E338-K342 WeakPolarHBondContact OE2-CE 3.37Å; E338-K342 IonicContact OE2-NZ 3.56Å; E338-K342 PolarHBondContact OE2-NZ 3.47Å; W339-K342 PolarHBondContact O-N 2.85Å; I340-K342 VanDerWaalsContact C-N 3.34Å; I340-K342 PolarHBondContact O-N 3.39Å |
| 343 | S | 83.2 | Confident | 71.6 | Confident | 36 Ų | 36 | 92.2 Ų | 92.2 | 25% | 0.252 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -80.9 | -32.3 | -179.7 | -56.1 | 0 | 0 | 0 | 0 | 113.4 | W339 I340 R341 N369 | W339-S343 WeakPolarHBondContact CZ3-OG 3.41Å; W339-S343 WeakPolarHBondContact O-CB 3.26Å; W339-S343 PolarHBondContact O-N 2.94Å; W339-S343 PolarHBondContact O-OG 3.01Å; I340-S343 PolarHBondContact O-N 3.16Å; R341-S343 VanDerWaalsContact C-N 3.32Å; R341-S343 PolarHBondContact O-N 3.1Å; S343-N369 PolarHBondContact OG-ND2 2.97Å |
| 344 | L | 80.7 | Confident | 68.7 | Low | 64 Ų | 64 | 95.5 Ų | 95.5 | 34% | 0.335 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -81.6 | -25.3 | 176 | -68.5 | 172.8 | 0 | 0 | 0 | 113 | I340 K346 T437 | I340-L344 HydrophobicContact CG2-CD1 3.7Å; I340-L344 HydrophobicContact CG2-CG 4.38Å; I340-L344 WeakPolarHBondContact O-CG 3.18Å; I340-L344 PolarHBondContact O-N 3.33Å; L344-K346 PolarHBondContact O-N 3.34Å; L344-T437 HydrophobicContact CD2-CG2 4.3Å |
| 345 | T | 76 | Confident | 66.2 | Low | 98 Ų | 98 | 100.5 Ų | 100.5 | 60% | 0.601 | 53% | 0.527 | S | S | * | . | trans | -74.8 | 94.7 | -179.9 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | R341 | R341-T345 WeakPolarHBondContact O-CB 3.31Å; R341-T345 PolarHBondContact O-N 3.37Å; R341-T345 VanDerWaalsContact O-N 3.09Å; R341-T345 PolarHBondContact O-OG1 2.65Å | ||
| 346 | K | 58.9 | Low | 63.5 | Low | 159 Ų | 159 | 105.4 Ų | 105.4 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | trans | -61.6 | 144.9 | 164.3 | -68.6 | 172.6 | -178.1 | 167.7 | 0 | 109.7 | L344 L348 | L344-K346 PolarHBondContact O-N 3.34Å; K346-L348 PolarHBondContact O-N 2.94Å | ||
| 347 | P | 45.4 | Very low | 60.9 | Low | 91 Ų | 91 | 114 Ų | 114 | 59% | 0.591 | 58% | 0.583 | S | S | * | * | trans | -62.1 | 108.6 | 164.1 | 27.2 | -32.3 | 0 | 0 | 0 | 108.2 | A349 | P347-A349 PolarHBondContact O-N 3.25Å; P347-A349 VanDerWaalsContact O-N 3.15Å | ||
| 348 | L | 38.1 | Very low | 58 | Low | 140 Ų | 140 | 121 Ų | 121 | 73% | 0.733 | 62% | 0.62 | S | S | * | * | trans | -75.3 | 102.7 | 175.2 | -172.7 | 70.7 | 0 | 0 | 0 | 107.7 | K346 E350 | K346-L348 PolarHBondContact O-N 2.94Å; L348-E350 HydrophobicContact CD2-CG 3.84Å; L348-E350 WeakPolarHBondContact CD2-OE1 3.42Å; L348-E350 HydrophobicContact CG-CG 4.03Å; L348-E350 PolarHBondContact O-N 2.95Å | ||
| 349 | A | 39.6 | Very low | 55.6 | Low | 87 Ų | 87 | 124.1 Ų | 124.1 | 72% | 0.719 | 63% | 0.634 | S | S | * | * | trans | -74.8 | 69 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P347 N351 | P347-A349 PolarHBondContact O-N 3.25Å; P347-A349 VanDerWaalsContact O-N 3.15Å; A349-N351 VanDerWaalsContact C-N 3.27Å; A349-N351 PolarHBondContact O-N 3.44Å | ||
| 350 | E | 42.3 | Very low | 52.7 | Low | 163 Ų | 163 | 126.1 Ų | 126.1 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | trans | -66.7 | 89 | 162.4 | -73.8 | -175.7 | 176.5 | 0 | 0 | 108.9 | L348 | L348-E350 HydrophobicContact CD2-CG 3.84Å; L348-E350 WeakPolarHBondContact CD2-OE1 3.42Å; L348-E350 HydrophobicContact CG-CG 4.03Å; L348-E350 PolarHBondContact O-N 2.95Å | ||
| 351 | N | 34.8 | Very low | 50.2 | Low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 70% | 0.701 | S | S | * | * | trans | -136.9 | 67.1 | 170.1 | -81 | -73.3 | 0 | 0 | 0 | 109.3 | A349 E353 | A349-N351 VanDerWaalsContact C-N 3.27Å; A349-N351 PolarHBondContact O-N 3.44Å; N351-E353 PolarHBondContact O-N 3.31Å | ||
| 352 | E | 41.2 | Very low | 47.6 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 91% | 0.907 | 72% | 0.718 | S | S | * | * | trans | -71.6 | 117.1 | 154.5 | -70.3 | -165.2 | 145.6 | 0 | 0 | 108.5 | ||||
| 353 | E | 38.9 | Very low | 45.2 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 93% | 0.93 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 53.4 | 98.1 | 160.4 | -52.4 | -164.2 | 155.6 | 0 | 0 | 119.3 | N351 | N351-E353 PolarHBondContact O-N 3.31Š|
| 354 | G | 32.5 | Very low | 43.1 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -177.6 | 92 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | K356 | G354-K356 PolarHBondContact O-N 2.83Š| ||
| 355 | E | 41.6 | Very low | 41.1 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -70.7 | 117.6 | 174.9 | -63.2 | -176.9 | 160.9 | 0 | 0 | 113.5 | ||||
| 356 | K | 35.7 | Very low | 39.6 | Very low | 174 Ų | 174 | 146.4 Ų | 146.4 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | 175.2 | 142.8 | 113.2 | -91.4 | 150.9 | -162.1 | 80.2 | 0 | 113.6 | G354 | G354-K356 PolarHBondContact O-N 2.83Š| |||
| 357 | Q | 40.4 | Very low | 39.2 | Very low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | -75.4 | 145.2 | 178.2 | -61.5 | 165.5 | -76.1 | 0 | 0 | 112.2 | ||||
| 358 | L | 33.3 | Very low | 40.1 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -163.9 | 102.8 | 139.1 | -112.2 | 168.2 | 0 | 0 | 0 | 111.5 | ||||
| 359 | E | 40.9 | Very low | 42.1 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | 29.5 | 89.4 | 148.5 | -58.3 | -58.5 | 111.2 | 0 | 0 | 118.3 | ||||
| 360 | A | 32.2 | Very low | 44.4 | Very low | 94 Ų | 94 | 141.2 Ų | 141.2 | 78% | 0.777 | 73% | 0.728 | S | S | * | * | trans | -140.3 | 52.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N362 | A360-N362 PolarHBondContact O-N 2.87Š| ||
| 361 | E | 39.9 | Very low | 46.7 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 70% | 0.695 | S | S | * | * | trans | -62.1 | 128.4 | 176.1 | -140 | -178.9 | -151.3 | 0 | 0 | 110.3 | ||||
| 362 | N | 35.9 | Very low | 49.4 | Very low | 155 Ų | 155 | 132 Ų | 132 | 83% | 0.829 | 68% | 0.681 | S | S | * | * | trans | 128.8 | 44.6 | 170.9 | -74.4 | -77.3 | 0 | 0 | 0 | 116.2 | A360 | A360-N362 PolarHBondContact O-N 2.87Š| ||
| 363 | T | 37.5 | Very low | 51.7 | Low | 137 Ų | 137 | 127 Ų | 127 | 84% | 0.84 | 66% | 0.66 | S | S | * | * | trans | -145.4 | 28.1 | 166.2 | -30.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 364 | E | 39.7 | Very low | 54.3 | Low | 163 Ų | 163 | 117.8 Ų | 117.8 | 76% | 0.762 | 62% | 0.617 | S | S | * | * | trans | -127 | 63.9 | 173.1 | -73.6 | -154.1 | 147.3 | 0 | 0 | 113.3 | V366 | E364-V366 HydrophobicContact CB-CG2 4.13Å; E364-V366 PolarHBondContact O-N 3.45Å | ||
| 365 | Q | 37.9 | Very low | 57.3 | Low | 179 Ų | 179 | 115.2 Ų | 115.2 | 84% | 0.836 | 58% | 0.584 | S | S | * | * | trans | -74.3 | 75.9 | 158.6 | -172.3 | 89.5 | 32.3 | 0 | 0 | 108.3 | N367 | Q365-N367 PolarHBondContact O-N 2.71Š| ||
| 366 | V | 44.1 | Very low | 59.8 | Low | 70 Ų | 70 | 108.6 Ų | 108.6 | 42% | 0.424 | 56% | 0.558 | S | S | . | * | trans | -69 | 102.6 | -179.7 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | E364 K368 | E364-V366 HydrophobicContact CB-CG2 4.13Å; E364-V366 PolarHBondContact O-N 3.45Å; V366-K368 VanDerWaalsContact C-N 3.28Å; V366-K368 HydrophobicContact CG1-CG 4.34Å; V366-K368 PolarHBondContact O-N 3.23Å | ||
| 367 | N | 50.6 | Low | 62.6 | Low | 108 Ų | 108 | 101.8 Ų | 101.8 | 58% | 0.578 | 53% | 0.529 | S | S | * | . | trans | -66.6 | 82.1 | 176.8 | -84.9 | 7.7 | 0 | 0 | 0 | 111.8 | Q365 N369 | Q365-N367 PolarHBondContact O-N 2.71Å; N367-N369 VanDerWaalsContact C-N 3.3Å; N367-N369 PolarHBondContact O-N 2.75Å | ||
| 368 | K | 65.6 | Low | 65.3 | Low | 187 Ų | 187 | 93.1 Ų | 93.1 | 81% | 0.813 | 49% | 0.488 | S | S | * | . | trans | -84.7 | 78.7 | 158.7 | -70.8 | 172.4 | -176.5 | 162.6 | 0 | 108.1 | V366 | V366-K368 VanDerWaalsContact C-N 3.28Å; V366-K368 HydrophobicContact CG1-CG 4.34Å; V366-K368 PolarHBondContact O-N 3.23Å | ||
| 369 | N | 78.7 | Confident | 68.3 | Low | 30 Ų | 30 | 85.6 Ų | 85.6 | 16% | 0.16 | 45% | 0.448 | C | S | . | . | trans | -57.8 | 136.7 | 169.9 | -52.8 | -10 | 0 | 0 | 0 | 108 | W339 S343 N367 D373 I374 | W339-N369 HydrophobicContact CZ2-CB 4.4Å; W339-N369 WeakPolarHBondContact CZ2-ND2 3.5Å; S343-N369 PolarHBondContact OG-ND2 2.97Å; N367-N369 VanDerWaalsContact C-N 3.3Å; N367-N369 PolarHBondContact O-N 2.75Å; N369-D373 HydrophobicContact CB-CB 4.06Å; N369-I374 HydrophobicContact CB-CG1 4.04Å | ||
| 370 | S | 89 | Confident | 71 | Confident | 42 Ų | 42 | 80.8 Ų | 80.8 | 29% | 0.294 | 42% | 0.424 | S | S | . | . | trans | -72.3 | 169 | 177.4 | 89 | 0 | 0 | 0 | 0 | 111.5 | E372 D373 I374 | S370-E372 WeakPolarHBondContact CB-OE2 3.27Å; S370-E372 PolarHBondContact O-N 2.93Å; S370-E372 PolarHBondContact OG-N 3.27Å; S370-E372 PolarHBondContact OG-OE2 3.15Å; S370-D373 PolarHBondContact N-OD2 2.81Å; S370-D373 PolarHBondContact O-N 3.35Å; S370-D373 PolarHBondContact OG-N 2.95Å; S370-I374 WeakPolarHBondContact O-CD1 3.37Å; S370-I374 WeakPolarHBondContact O-CG1 3.33Å; S370-I374 PolarHBondContact O-N 3.29Å | ||
| 371 | I | 90.8 | Very high | 74.1 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 5% | 0.051 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64 | -31.8 | 174.8 | 62 | 172.9 | 0 | 0 | 0 | 111.1 | H375 L439 A442 E446 V450 L454 | I371-H375 WeakPolarHBondContact O-CB 3.44Å; I371-H375 PolarHBondContact O-N 3.4Å; I371-L439 HydrophobicContact CB-CD2 4.38Å; I371-L439 VanDerWaalsContact O-CD2 3.3Å; I371-L439 WeakPolarHBondContact O-CD2 3.15Å; I371-A442 HydrophobicContact CG2-CB 4.24Å; I371-E446 HydrophobicContact CD1-CG 4.19Å; I371-E446 HydrophobicContact CG2-CG 4.37Å; I371-V450 HydrophobicContact CD1-CG1 3.71Å; I371-L454 HydrophobicContact CB-CD1 3.99Å; I371-L454 HydrophobicContact CD1-CD1 3.78Å; I371-L454 HydrophobicContact CG1-CD1 3.85Å |
| 372 | E | 90.5 | Very high | 76.9 | Confident | 106 Ų | 106 | 68 Ų | 68 | 50% | 0.495 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.6 | -42.8 | 174.8 | -52.5 | 78.3 | -173.1 | 0 | 0 | 111.4 | S370 I374 H375 A376 | S370-E372 WeakPolarHBondContact CB-OE2 3.27Å; S370-E372 PolarHBondContact O-N 2.93Å; S370-E372 PolarHBondContact OG-N 3.27Å; S370-E372 PolarHBondContact OG-OE2 3.15Å; E372-I374 VanDerWaalsContact C-N 3.32Å; E372-I374 PolarHBondContact O-N 2.98Å; E372-H375 PolarHBondContact O-N 3.16Å; E372-A376 WeakPolarHBondContact O-CB 3.34Å; E372-A376 PolarHBondContact O-N 3.45Å |
| 373 | D | 90.6 | Very high | 79.8 | Confident | 88 Ų | 88 | 60.7 Ų | 60.7 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 172.8 | -69.2 | -39.2 | 0 | 0 | 0 | 111.2 | N369 S370 F377 | N369-D373 HydrophobicContact CB-CB 4.06Å; S370-D373 PolarHBondContact N-OD2 2.81Å; S370-D373 PolarHBondContact O-N 3.35Å; S370-D373 PolarHBondContact OG-N 2.95Å; D373-F377 VanDerWaalsContact O-CB 3.31Å; D373-F377 WeakPolarHBondContact O-CB 3.36Å; D373-F377 PolarHBondContact O-N 3.03Å |
| 374 | I | 93.7 | Very high | 82.7 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -44.3 | 179.1 | -61.1 | 156.6 | 0 | 0 | 0 | 110.7 | W339 N369 S370 E372 A378 C438 L439 A442 | W339-I374 HydrophobicContact CH2-CB 4.09Å; W339-I374 HydrophobicContact CH2-CG1 3.77Å; W339-I374 HydrophobicContact CH2-CG2 4.22Å; W339-I374 HydrophobicContact CZ3-CG2 4.38Å; N369-I374 HydrophobicContact CB-CG1 4.04Å; S370-I374 WeakPolarHBondContact O-CD1 3.37Å; S370-I374 WeakPolarHBondContact O-CG1 3.33Å; S370-I374 PolarHBondContact O-N 3.29Å; E372-I374 VanDerWaalsContact C-N 3.32Å; E372-I374 PolarHBondContact O-N 2.98Å; I374-A378 VanDerWaalsContact O-CB 3.27Å; I374-A378 WeakPolarHBondContact O-CB 3.42Å; I374-A378 PolarHBondContact O-N 3.29Å; I374-C438 HydrophobicContact CG2-CB 3.72Å; I374-L439 HydrophobicContact CB-CD2 3.86Å; I374-L439 HydrophobicContact CB-CG 4.44Å; I374-L439 HydrophobicContact CG2-CD2 3.74Å; I374-L439 HydrophobicContact CG2-CG 3.75Å; I374-A442 HydrophobicContact CD1-CB 3.36Å |
| 375 | H | 94.4 | Very high | 85.5 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 11% | 0.111 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -50.7 | 175.5 | 177.9 | -98.2 | 0 | 0 | 0 | 111.5 | I371 E372 F377 A378 I379 L439 L454 A457 | I371-H375 WeakPolarHBondContact O-CB 3.44Å; I371-H375 PolarHBondContact O-N 3.4Å; E372-H375 PolarHBondContact O-N 3.16Å; H375-F377 VanDerWaalsContact C-N 3.33Å; H375-F377 PolarHBondContact O-N 2.94Å; H375-A378 WeakPolarHBondContact O-CB 3.28Å; H375-A378 PolarHBondContact O-N 3.05Å; H375-A378 VanDerWaalsContact O-N 3.1Å; H375-I379 WeakPolarHBondContact O-CG1 3.34Å; H375-I379 PolarHBondContact O-N 3Å; H375-L439 HydrophobicContact CB-CD2 4.32Å; H375-L454 HydrophobicContact CB-CB 4.38Å; H375-L454 HydrophobicContact CB-CD1 4.41Å; H375-L454 HydrophobicContact CB-CD2 4.13Å; H375-L454 PolarHBondContact CD2-O 2.94Å; H375-A457 WeakPolarHBondContact NE2-CB 3.36Å |
| 376 | A | 94.1 | Very high | 88.4 | Confident | 26 Ų | 26 | 39.8 Ų | 39.8 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.9 | -46.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | T235 E372 R380 | T235-A376 HydrophobicContact CG2-CB 3.52Å; E372-A376 WeakPolarHBondContact O-CB 3.34Å; E372-A376 PolarHBondContact O-N 3.45Å; A376-R380 VanDerWaalsContact O-CB 3.27Å; A376-R380 WeakPolarHBondContact O-CB 3.13Å; A376-R380 PolarHBondContact O-N 2.91Å |
| 377 | F | 95.4 | Very high | 90.9 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.6 | -33.8 | 177.8 | -171.1 | -87.8 | 0 | 0 | 0 | 112.5 | W339 D373 H375 S381 F435 | W339-F377 HydrophobicContact CB-CD1 4.39Å; W339-F377 HydrophobicContact CB-CE1 3.52Å; W339-F377 HydrophobicContact CB-CE2 4.3Å; W339-F377 HydrophobicContact CB-CZ 3.46Å; W339-F377 VanDerWaalsContact CB-CZ 3.46Å; W339-F377 AromaticContact CD1-CD2 3.91Å; W339-F377 AromaticContact CD1-CE2 3.59Å; W339-F377 AromaticContact CD1-CZ 3.65Å; W339-F377 AromaticContact CD2-CD1 3.37Å; W339-F377 HydrophobicContact CD2-CD1 3.37Å; W339-F377 HydrophobicContact CD2-CD2 4.21Å; W339-F377 AromaticContact CD2-CE1 3.44Å; W339-F377 HydrophobicContact CD2-CE1 3.44Å; W339-F377 VanDerWaalsContact CD2-CE1 3.44Å; W339-F377 HydrophobicContact CD2-CE2 4.27Å; W339-F377 AromaticContact CD2-CG 3.78Å; W339-F377 HydrophobicContact CD2-CG 3.78Å; W339-F377 AromaticContact CD2-CZ 3.92Å; W339-F377 HydrophobicContact CD2-CZ 3.92Å; W339-F377 AromaticContact CE2-CD1 3.73Å; W339-F377 AromaticContact CE2-CD2 3.93Å; W339-F377 AromaticContact CE2-CG 3.61Å; W339-F377 AromaticContact CE3-CD1 3.43Å; W339-F377 HydrophobicContact CE3-CD1 3.43Å; W339-F377 VanDerWaalsContact CE3-CD1 3.43Å; W339-F377 AromaticContact CE3-CE1 3.68Å; W339-F377 HydrophobicContact CE3-CE1 3.68Å; W339-F377 HydrophobicContact CE3-CG 4.16Å; W339-F377 AromaticContact CG-CD1 3.82Å; W339-F377 HydrophobicContact CG-CD1 3.82Å; W339-F377 HydrophobicContact CG-CD2 4.21Å; W339-F377 AromaticContact CG-CE1 3.38Å; W339-F377 HydrophobicContact CG-CE1 3.38Å; W339-F377 AromaticContact CG-CE2 3.82Å; W339-F377 HydrophobicContact CG-CE2 3.82Å; W339-F377 HydrophobicContact CG-CG 4.21Å; W339-F377 AromaticContact CG-CZ 3.39Å; W339-F377 HydrophobicContact CG-CZ 3.39Å; W339-F377 HydrophobicContact CH2-CB 4.11Å; W339-F377 HydrophobicContact CH2-CD1 4.25Å; W339-F377 HydrophobicContact CH2-CG 4.32Å; W339-F377 HydrophobicContact CZ2-CB 3.82Å; W339-F377 HydrophobicContact CZ2-CD1 4.15Å; W339-F377 AromaticContact CZ2-CG 3.9Å; W339-F377 HydrophobicContact CZ2-CG 3.9Å; W339-F377 AromaticContact CZ3-CD1 3.91Å; W339-F377 HydrophobicContact CZ3-CD1 3.91Å; W339-F377 HydrophobicContact CZ3-CG 4.44Å; W339-F377 AromaticContact NE1-CD2 3.73Å; W339-F377 AromaticContact NE1-CE2 3.91Å; W339-F377 AromaticContact NE1-CG 3.92Å; D373-F377 VanDerWaalsContact O-CB 3.31Å; D373-F377 WeakPolarHBondContact O-CB 3.36Å; D373-F377 PolarHBondContact O-N 3.03Å; H375-F377 VanDerWaalsContact C-N 3.33Å; H375-F377 PolarHBondContact O-N 2.94Å; F377-S381 WeakPolarHBondContact CD1-OG 3.49Å; F377-S381 WeakPolarHBondContact CE1-OG 3.5Å; F377-S381 VanDerWaalsContact O-CB 3.28Å; F377-S381 WeakPolarHBondContact O-CB 3.36Å; F377-S381 PolarHBondContact O-N 3.44Å; F377-S381 PolarHBondContact O-OG 3.47Å; F377-F435 AromaticContact CD1-CE1 3.68Å; F377-F435 HydrophobicContact CD1-CE1 3.68Å; F377-F435 AromaticContact CD1-CZ 3.74Å; F377-F435 HydrophobicContact CD1-CZ 3.74Å; F377-F435 HydrophobicContact CE1-CE1 4.09Å; F377-F435 AromaticContact CE1-CZ 3.89Å; F377-F435 HydrophobicContact CE1-CZ 3.89Å |
| 378 | A | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -53.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I374 H375 R380 S381 L382 F435 V458 | I374-A378 VanDerWaalsContact O-CB 3.27Å; I374-A378 WeakPolarHBondContact O-CB 3.42Å; I374-A378 PolarHBondContact O-N 3.29Å; H375-A378 WeakPolarHBondContact O-CB 3.28Å; H375-A378 PolarHBondContact O-N 3.05Å; H375-A378 VanDerWaalsContact O-N 3.1Å; A378-R380 VanDerWaalsContact C-N 3.31Å; A378-R380 PolarHBondContact O-N 3.17Å; A378-S381 PolarHBondContact O-N 2.97Å; A378-S381 VanDerWaalsContact O-N 3.13Å; A378-L382 WeakPolarHBondContact O-CG 3.43Å; A378-L382 PolarHBondContact O-N 3.02Å; A378-F435 HydrophobicContact CB-CB 3.78Å; A378-F435 HydrophobicContact CB-CD1 3.78Å; A378-F435 HydrophobicContact CB-CD2 3.54Å; A378-F435 HydrophobicContact CB-CE1 4.23Å; A378-F435 HydrophobicContact CB-CE2 4Å; A378-F435 HydrophobicContact CB-CG 3.43Å; A378-F435 VanDerWaalsContact CB-CG 3.43Å; A378-F435 HydrophobicContact CB-CZ 4.33Å; A378-V458 HydrophobicContact CB-CG1 4.48Å; A378-V458 HydrophobicContact CB-CG2 3.77Å |
| 379 | I | 97.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 179.3 | -55.3 | -47.6 | 0 | 0 | 0 | 111 | T235 Y237 L240 H375 S381 L382 A383 V458 E461 | T235-I379 WeakPolarHBondContact O-CG2 3.5Å; Y237-I379 HydrophobicContact CD2-CG2 4.03Å; Y237-I379 HydrophobicContact CG-CG2 4.34Å; L240-I379 HydrophobicContact CD1-CG2 4.23Å; H375-I379 WeakPolarHBondContact O-CG1 3.34Å; H375-I379 PolarHBondContact O-N 3Å; I379-S381 PolarHBondContact O-N 3.48Å; I379-L382 PolarHBondContact O-N 3Å; I379-A383 WeakPolarHBondContact O-CB 3.49Å; I379-A383 PolarHBondContact O-N 3.47Å; I379-V458 HydrophobicContact CD1-CG2 3.99Å; I379-E461 HydrophobicContact CD1-CB 4.11Å; I379-E461 HydrophobicContact CD1-CG 4.05Å |
| 380 | R | 96.9 | Very high | 95.6 | Very high | 61 Ų | 61 | 21.7 Ų | 21.7 | 23% | 0.23 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 174.4 | -166.6 | -157.9 | 73.4 | 71.7 | 20.8 | 112.7 | L240 F244 A376 A378 A383 E384 | L240-R380 HydrophobicContact CD1-CB 4.11Å; L240-R380 HydrophobicContact CD2-CG 4.21Å; F244-R380 HydrophobicContact CE2-CG 4Å; F244-R380 HydrophobicContact CZ-CG 3.93Å; A376-R380 VanDerWaalsContact O-CB 3.27Å; A376-R380 WeakPolarHBondContact O-CB 3.13Å; A376-R380 PolarHBondContact O-N 2.91Å; A378-R380 VanDerWaalsContact C-N 3.31Å; A378-R380 PolarHBondContact O-N 3.17Å; R380-A383 PolarHBondContact O-N 3.34Å; R380-E384 IonicContact CZ-OE2 2.65Å; R380-E384 IonicContact NH1-OE2 2.71Å; R380-E384 PolarHBondContact NH1-OE2 2.87Å; R380-E384 IonicContact NH2-OE2 3.54Å; R380-E384 PolarHBondContact NH2-OE2 3.48Å; R380-E384 WeakPolarHBondContact O-CB 3.39Å; R380-E384 PolarHBondContact O-N 3.47Å |
| 381 | S | 97.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 3% | 0.028 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72.3 | -36.3 | -178.6 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | F377 A378 I379 L385 | F377-S381 WeakPolarHBondContact CD1-OG 3.49Å; F377-S381 WeakPolarHBondContact CE1-OG 3.5Å; F377-S381 VanDerWaalsContact O-CB 3.28Å; F377-S381 WeakPolarHBondContact O-CB 3.36Å; F377-S381 PolarHBondContact O-N 3.44Å; F377-S381 PolarHBondContact O-OG 3.47Å; A378-S381 PolarHBondContact O-N 2.97Å; A378-S381 VanDerWaalsContact O-N 3.13Å; I379-S381 PolarHBondContact O-N 3.48Å; S381-L385 WeakPolarHBondContact O-CB 3.48Å; S381-L385 PolarHBondContact O-N 2.89Å |
| 382 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.9 | -51.7 | 170.6 | -68.9 | 168.1 | 0 | 0 | 0 | 110.4 | Y237 A378 I379 E384 L385 T386 L428 L431 V458 E461 A462 | Y237-L382 HydrophobicContact CE2-CB 4.33Å; A378-L382 WeakPolarHBondContact O-CG 3.43Å; A378-L382 PolarHBondContact O-N 3.02Å; I379-L382 PolarHBondContact O-N 3Å; L382-E384 PolarHBondContact O-N 3.2Å; L382-L385 PolarHBondContact O-N 2.96Å; L382-T386 WeakPolarHBondContact O-CB 3.37Å; L382-T386 PolarHBondContact O-N 2.94Å; L382-T386 PolarHBondContact O-OG1 3.1Å; L382-L428 HydrophobicContact CD2-CD2 3.67Å; L382-L431 HydrophobicContact CD2-CD2 4.26Å; L382-V458 HydrophobicContact CD1-CG1 4.43Å; L382-E461 HydrophobicContact CD1-CB 4.35Å; L382-A462 HydrophobicContact CD1-CB 4.16Å; L382-A462 HydrophobicContact CD2-CB 3.96Å |
| 383 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y237 L240 F241 F244 I379 R380 A387 | Y237-A383 HydrophobicContact CD2-CB 3.89Å; Y237-A383 HydrophobicContact CE2-CB 3.74Å; L240-A383 HydrophobicContact CB-CB 3.86Å; F241-A383 HydrophobicContact CB-CB 4.25Å; F244-A383 HydrophobicContact CD2-CB 4.15Å; F244-A383 HydrophobicContact CE2-CB 4.37Å; I379-A383 WeakPolarHBondContact O-CB 3.49Å; I379-A383 PolarHBondContact O-N 3.47Å; R380-A383 PolarHBondContact O-N 3.34Å; A383-A387 VanDerWaalsContact O-CB 3.29Å; A383-A387 WeakPolarHBondContact O-CB 3.4Å; A383-A387 PolarHBondContact O-N 2.95Å |
| 384 | E | 97.9 | Very high | 96.7 | Very high | 39 Ų | 39 | 13.1 Ų | 13.1 | 18% | 0.182 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 177.8 | -168.4 | 178.2 | 178.8 | 0 | 0 | 111.9 | F244 A332 R380 L382 C388 | F244-E384 HydrophobicContact CD1-CB 4.3Å; F244-E384 HydrophobicContact CD1-CG 3.95Å; F244-E384 VanDerWaalsContact CD2-CA 3.48Å; F244-E384 HydrophobicContact CD2-CB 3.82Å; F244-E384 HydrophobicContact CD2-CG 4.37Å; F244-E384 HydrophobicContact CE1-CB 4.14Å; F244-E384 HydrophobicContact CE1-CG 3.83Å; F244-E384 HydrophobicContact CE2-CB 3.65Å; F244-E384 HydrophobicContact CE2-CG 4.27Å; F244-E384 HydrophobicContact CG-CB 4.17Å; F244-E384 HydrophobicContact CG-CG 4.25Å; F244-E384 HydrophobicContact CZ-CB 3.83Å; F244-E384 HydrophobicContact CZ-CG 4.02Å; A332-E384 HydrophobicContact CB-CG 3.79Å; R380-E384 IonicContact CZ-OE2 2.65Å; R380-E384 IonicContact NH1-OE2 2.71Å; R380-E384 PolarHBondContact NH1-OE2 2.87Å; R380-E384 IonicContact NH2-OE2 3.54Å; R380-E384 PolarHBondContact NH2-OE2 3.48Å; R380-E384 WeakPolarHBondContact O-CB 3.39Å; R380-E384 PolarHBondContact O-N 3.47Å; L382-E384 PolarHBondContact O-N 3.2Å; E384-C388 WeakPolarHBondContact O-CB 3.15Å; E384-C388 PolarHBondContact O-N 3.38Å; E384-C388 PolarHBondContact O-SG 3.23Å |
| 385 | L | 97.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.5 | -42.1 | 179.7 | -164.9 | 73 | 0 | 0 | 0 | 111.5 | L329 A332 R333 S381 L382 C388 S389 E427 L428 L431 | L329-L385 HydrophobicContact CD1-CD1 3.65Å; L329-L385 HydrophobicContact CD1-CG 4.18Å; L329-L385 HydrophobicContact CG-CD1 4.34Å; A332-L385 HydrophobicContact CB-CD1 4.4Å; R333-L385 HydrophobicContact CB-CD1 3.83Å; R333-L385 HydrophobicContact CG-CD1 4.42Å; S381-L385 WeakPolarHBondContact O-CB 3.48Å; S381-L385 PolarHBondContact O-N 2.89Å; L382-L385 PolarHBondContact O-N 2.96Å; L385-C388 PolarHBondContact O-N 2.81Å; L385-S389 WeakPolarHBondContact O-CB 3.47Å; L385-S389 PolarHBondContact O-N 2.87Å; L385-S389 PolarHBondContact O-OG 2.83Å; L385-E427 HydrophobicContact CD2-CG 4.01Å; L385-L428 HydrophobicContact CD2-CD2 3.94Å; L385-L428 HydrophobicContact CD2-CG 4.3Å; L385-L431 HydrophobicContact CD2-CD2 4.31Å |
| 386 | T | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | Y237 F241 L382 C388 S389 I390 S465 I469 | Y237-T386 WeakPolarHBondContact OH-CB 3.4Å; Y237-T386 WeakPolarHBondContact OH-CG2 3.36Å; F241-T386 HydrophobicContact CD2-CG2 4.44Å; F241-T386 HydrophobicContact CE2-CG2 3.77Å; F241-T386 HydrophobicContact CZ-CG2 4.49Å; L382-T386 WeakPolarHBondContact O-CB 3.37Å; L382-T386 PolarHBondContact O-N 2.94Å; L382-T386 PolarHBondContact O-OG1 3.1Å; T386-C388 PolarHBondContact O-N 2.91Å; T386-S389 WeakPolarHBondContact O-CB 3.46Å; T386-S389 PolarHBondContact O-N 2.93Å; T386-S389 VanDerWaalsContact O-N 3.12Å; T386-I390 HydrophobicContact CG2-CD1 4.16Å; T386-I390 WeakPolarHBondContact O-CG1 3.34Å; T386-I390 PolarHBondContact O-N 3.21Å; T386-S465 WeakPolarHBondContact OG1-CB 3.49Å; T386-S465 PolarHBondContact OG1-OG 3.36Å; T386-I469 HydrophobicContact CG2-CG1 4.12Å |
| 387 | A | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.008 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F241 F244 A383 S389 I390 E391 | F241-A387 HydrophobicContact CD2-CB 4.15Å; F241-A387 HydrophobicContact CE2-CB 4.19Å; F244-A387 HydrophobicContact CB-CB 3.49Å; F244-A387 VanDerWaalsContact CB-CB 3.49Å; F244-A387 WeakPolarHBondContact O-CB 3.42Å; A383-A387 VanDerWaalsContact O-CB 3.29Å; A383-A387 WeakPolarHBondContact O-CB 3.4Å; A383-A387 PolarHBondContact O-N 2.95Å; A387-S389 PolarHBondContact O-N 3.18Å; A387-I390 PolarHBondContact O-N 3.21Å; A387-E391 WeakPolarHBondContact O-CB 3.43Å; A387-E391 PolarHBondContact O-N 2.93Å |
| 388 | C | 97.1 | Very high | 96.7 | Very high | 13 Ų | 13 | 14.3 Ų | 14.3 | 9% | 0.088 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.5 | -31 | 172.9 | -71.7 | 0 | 0 | 0 | 0 | 113 | L329 E384 L385 T386 L392 | L329-C388 HydrophobicContact CB-CB 4.19Å; L329-C388 HydrophobicContact CD1-CB 4.03Å; E384-C388 WeakPolarHBondContact O-CB 3.15Å; E384-C388 PolarHBondContact O-N 3.38Å; E384-C388 PolarHBondContact O-SG 3.23Å; L385-C388 PolarHBondContact O-N 2.81Å; T386-C388 PolarHBondContact O-N 2.91Å; C388-L392 PolarHBondContact O-N 2.69Å |
| 389 | S | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -75.2 | -36.7 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | L329 L385 T386 A387 L392 F393 I469 | L329-S389 WeakPolarHBondContact CD1-OG 3.28Å; L385-S389 WeakPolarHBondContact O-CB 3.47Å; L385-S389 PolarHBondContact O-N 2.87Å; L385-S389 PolarHBondContact O-OG 2.83Å; T386-S389 WeakPolarHBondContact O-CB 3.46Å; T386-S389 PolarHBondContact O-N 2.93Å; T386-S389 VanDerWaalsContact O-N 3.12Å; A387-S389 PolarHBondContact O-N 3.18Å; S389-L392 WeakPolarHBondContact O-CB 3.33Å; S389-L392 PolarHBondContact O-N 3.06Å; S389-F393 PolarHBondContact O-N 3.43Å; S389-I469 VanDerWaalsContact CB-CD1 3.48Å; S389-I469 WeakPolarHBondContact OG-CD1 3.46Å |
| 390 | I | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -77.1 | -36.3 | 176.5 | -62.4 | 167.9 | 0 | 0 | 0 | 111.3 | F241 H249 L250 T386 A387 L392 F393 H394 A472 | F241-I390 HydrophobicContact CE2-CD1 3.94Å; F241-I390 HydrophobicContact CZ-CD1 3.6Å; H249-I390 HydrophobicContact CB-CG2 3.94Å; L250-I390 HydrophobicContact CB-CG2 4.09Å; L250-I390 HydrophobicContact CD1-CG2 4.22Å; T386-I390 HydrophobicContact CG2-CD1 4.16Å; T386-I390 WeakPolarHBondContact O-CG1 3.34Å; T386-I390 PolarHBondContact O-N 3.21Å; A387-I390 PolarHBondContact O-N 3.21Å; I390-L392 PolarHBondContact O-N 3.25Å; I390-L392 VanDerWaalsContact O-N 3.16Å; I390-F393 PolarHBondContact O-N 2.95Å; I390-H394 VanDerWaalsContact O-CB 3.28Å; I390-H394 WeakPolarHBondContact O-CB 3.42Å; I390-H394 PolarHBondContact O-N 2.99Å; I390-A472 HydrophobicContact CB-CB 4.45Å; I390-A472 HydrophobicContact CG1-CB 3.82Å; I390-A472 HydrophobicContact CG2-CB 4.14Å |
| 391 | E | 96.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 15.8 Ų | 15.8 | 7% | 0.065 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -52.9 | -34.5 | 168 | -175.1 | 174.1 | 177.7 | 0 | 0 | 111.7 | H249 K328 A387 K395 | H249-E391 WeakPolarHBondContact CD2-CB 3.06Å; H249-E391 WeakPolarHBondContact NE2-CG 3.48Å; H249-E391 IonicContact NE2-OE2 3.38Å; K328-E391 WeakPolarHBondContact CD-OE1 3.44Å; K328-E391 WeakPolarHBondContact CD-OE2 3.44Å; K328-E391 WeakPolarHBondContact CE-OE2 3.46Å; K328-E391 IonicContact NZ-OE1 2.7Å; K328-E391 PolarHBondContact NZ-OE1 3.43Å; K328-E391 IonicContact NZ-OE2 3.48Å; K328-E391 PolarHBondContact NZ-OE2 2.95Å; A387-E391 WeakPolarHBondContact O-CB 3.43Å; A387-E391 PolarHBondContact O-N 2.93Å; E391-K395 HydrophobicContact CG-CD 4.12Å; E391-K395 HydrophobicContact CG-CG 4.49Å; E391-K395 VanDerWaalsContact O-CB 3.31Å; E391-K395 WeakPolarHBondContact O-CB 3.49Å; E391-K395 VanDerWaalsContact O-CG 3.27Å; E391-K395 WeakPolarHBondContact O-CG 3.38Å; E391-K395 PolarHBondContact O-N 3.23Å; E391-K395 WeakPolarHBondContact OE1-CE 3.25Å; E391-K395 IonicContact OE1-NZ 3.79Å; E391-K395 PolarHBondContact OE1-NZ 2.81Å |
| 392 | L | 94.7 | Very high | 95.1 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 6% | 0.058 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.9 | -54 | 179.2 | -129.7 | 65.8 | 0 | 0 | 0 | 112.6 | F317 L329 C388 S389 I390 K395 T396 | F317-L392 HydrophobicContact CE1-CD1 4.2Å; F317-L392 HydrophobicContact CE1-CG 4.27Å; F317-L392 HydrophobicContact CE2-CD1 4.42Å; F317-L392 HydrophobicContact CE2-CD2 3.62Å; F317-L392 HydrophobicContact CE2-CG 4.12Å; F317-L392 HydrophobicContact CZ-CD1 3.46Å; F317-L392 VanDerWaalsContact CZ-CD1 3.46Å; F317-L392 HydrophobicContact CZ-CD2 3.45Å; F317-L392 VanDerWaalsContact CZ-CD2 3.45Å; F317-L392 HydrophobicContact CZ-CG 3.42Å; F317-L392 VanDerWaalsContact CZ-CG 3.42Å; L329-L392 HydrophobicContact CD2-CD2 4.21Å; C388-L392 PolarHBondContact O-N 2.69Å; S389-L392 WeakPolarHBondContact O-CB 3.33Å; S389-L392 PolarHBondContact O-N 3.06Å; I390-L392 PolarHBondContact O-N 3.25Å; I390-L392 VanDerWaalsContact O-N 3.16Å; L392-K395 PolarHBondContact O-N 3.27Å; L392-T396 WeakPolarHBondContact O-CB 3.43Å; L392-T396 PolarHBondContact O-N 2.61Å; L392-T396 PolarHBondContact O-OG1 3.45Å |
| 393 | F | 96.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 0% | 0.004 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.1 | -41.9 | 179.9 | -65.1 | -23.1 | 0 | 0 | 0 | 110.4 | L253 S389 I390 K395 T396 A397 L417 M420 T421 L424 I469 A472 F473 L476 | L253-F393 HydrophobicContact CD2-CB 3.86Å; S389-F393 PolarHBondContact O-N 3.43Å; I390-F393 PolarHBondContact O-N 2.95Å; F393-K395 PolarHBondContact O-N 2.71Å; F393-T396 PolarHBondContact O-N 3.38Å; F393-A397 WeakPolarHBondContact O-CB 2.97Å; F393-A397 PolarHBondContact O-N 3.15Å; F393-L417 HydrophobicContact CD1-CD2 3.91Å; F393-L417 HydrophobicContact CE1-CD2 3.86Å; F393-M420 HydrophobicContact CE1-CG 4.13Å; F393-T421 VanDerWaalsContact CZ-OG1 3.26Å; F393-T421 WeakPolarHBondContact CZ-OG1 3.25Å; F393-L424 HydrophobicContact CZ-CD1 4.02Å; F393-I469 HydrophobicContact CE2-CG2 3.79Å; F393-I469 WeakPolarHBondContact CE2-O 3.46Å; F393-I469 HydrophobicContact CZ-CG2 4.28Å; F393-A472 HydrophobicContact CD2-CB 3.85Å; F393-F473 HydrophobicContact CD2-CB 4.36Å; F393-F473 HydrophobicContact CE2-CB 3.89Å; F393-F473 HydrophobicContact CZ-CB 4.39Å; F393-L476 HydrophobicContact CB-CD1 3.9Å; F393-L476 HydrophobicContact CB-CD2 4.12Å; F393-L476 HydrophobicContact CB-CG 4.26Å; F393-L476 HydrophobicContact CD1-CD1 3.86Å; F393-L476 HydrophobicContact CG-CD1 3.86Å; F393-L476 WeakPolarHBondContact O-CD2 3.49Å |
| 394 | H | 96.2 | Very high | 92.2 | Very high | 41 Ų | 41 | 35.9 Ų | 35.9 | 19% | 0.19 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.2 | -49.3 | 170.6 | 171.6 | -138.1 | 0 | 0 | 0 | 112.7 | H249 A252 L253 I390 A397 A398 | H249-H394 HydrophobicContact CB-CB 4.35Å; H249-H394 AromaticContact CG-ND1 3.89Å; H249-H394 AromaticContact ND1-CE1 3.81Å; H249-H394 AromaticContact ND1-ND1 3.23Å; H249-H394 PolarHBondContact ND1-ND1 3.43Å; A252-H394 WeakPolarHBondContact CB-NE2 3.48Å; L253-H394 HydrophobicContact CB-CB 4.17Å; I390-H394 VanDerWaalsContact O-CB 3.28Å; I390-H394 WeakPolarHBondContact O-CB 3.42Å; I390-H394 PolarHBondContact O-N 2.99Å; H394-A397 PolarHBondContact O-N 2.86Å; H394-A398 WeakPolarHBondContact O-CB 3.48Å; H394-A398 PolarHBondContact O-N 3.18Å |
| 395 | K | 94.4 | Very high | 90.7 | Very high | 77 Ų | 77 | 40.4 Ų | 40.4 | 34% | 0.335 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.7 | -38.6 | 176.8 | -79.3 | 177 | -175.5 | 171 | 0 | 113 | E391 L392 F393 A398 L399 | E391-K395 HydrophobicContact CG-CD 4.12Å; E391-K395 HydrophobicContact CG-CG 4.49Å; E391-K395 VanDerWaalsContact O-CB 3.31Å; E391-K395 WeakPolarHBondContact O-CB 3.49Å; E391-K395 VanDerWaalsContact O-CG 3.27Å; E391-K395 WeakPolarHBondContact O-CG 3.38Å; E391-K395 PolarHBondContact O-N 3.23Å; E391-K395 WeakPolarHBondContact OE1-CE 3.25Å; E391-K395 IonicContact OE1-NZ 3.79Å; E391-K395 PolarHBondContact OE1-NZ 2.81Å; L392-K395 PolarHBondContact O-N 3.27Å; F393-K395 PolarHBondContact O-N 2.71Å; K395-A398 PolarHBondContact O-N 2.92Å; K395-L399 WeakPolarHBondContact O-CB 3.48Å; K395-L399 VanDerWaalsContact O-CG 3.31Å; K395-L399 WeakPolarHBondContact O-CG 3.43Å; K395-L399 PolarHBondContact O-N 3.44Å |
| 396 | T | 93.8 | Very high | 89.2 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -44.6 | 178.4 | -58.4 | 0 | 0 | 0 | 0 | 110.2 | L320 V322 L392 F393 A398 L399 V400 L417 | L320-T396 HydrophobicContact CD1-CG2 4.37Å; V322-T396 HydrophobicContact CG1-CG2 4.32Å; L392-T396 WeakPolarHBondContact O-CB 3.43Å; L392-T396 PolarHBondContact O-N 2.61Å; L392-T396 PolarHBondContact O-OG1 3.45Å; F393-T396 PolarHBondContact O-N 3.38Å; T396-A398 PolarHBondContact O-N 2.74Å; T396-L399 PolarHBondContact O-N 3.37Å; T396-V400 HydrophobicContact CG2-CG2 4.32Å; T396-V400 WeakPolarHBondContact O-CB 3.26Å; T396-V400 VanDerWaalsContact O-CG2 3.27Å; T396-V400 WeakPolarHBondContact O-CG2 3.39Å; T396-V400 PolarHBondContact O-N 3.48Å; T396-L417 HydrophobicContact CG2-CD1 4.48Å; T396-L417 HydrophobicContact CG2-CD2 4.31Å |
| 397 | A | 95.4 | Very high | 88 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.7 | -50.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L253 L256 F393 H394 L399 V400 L401 L476 V479 | L253-A397 HydrophobicContact CD1-CB 3.7Å; L256-A397 HydrophobicContact CD1-CB 4.02Å; F393-A397 WeakPolarHBondContact O-CB 2.97Å; F393-A397 PolarHBondContact O-N 3.15Å; H394-A397 PolarHBondContact O-N 2.86Å; A397-L399 VanDerWaalsContact C-N 3.33Å; A397-L399 PolarHBondContact O-N 3.38Å; A397-V400 PolarHBondContact O-N 3.12Å; A397-L401 WeakPolarHBondContact O-CG 3.35Å; A397-L401 PolarHBondContact O-N 3.46Å; A397-L476 HydrophobicContact CB-CD2 3.78Å; A397-V479 HydrophobicContact CB-CB 4.48Å; A397-V479 HydrophobicContact CB-CG1 3.96Å; A397-V479 HydrophobicContact CB-CG2 4.19Å |
| 398 | A | 93.8 | Very high | 87.4 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.8 | -40.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L256 H394 K395 T396 H402 | L256-A398 HydrophobicContact CD1-CB 4.2Å; H394-A398 WeakPolarHBondContact O-CB 3.48Å; H394-A398 PolarHBondContact O-N 3.18Å; K395-A398 PolarHBondContact O-N 2.92Å; T396-A398 PolarHBondContact O-N 2.74Å; A398-H402 WeakPolarHBondContact O-CB 3.17Å; A398-H402 PolarHBondContact O-N 2.89Å; A398-H402 PolarHBondContact O-ND1 3.31Å |
| 399 | L | 91.5 | Very high | 87 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 29% | 0.293 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -75.1 | -30.6 | 177.6 | -71.7 | 173.5 | 0 | 0 | 0 | 113.3 | V322 K395 T396 A397 G403 | V322-L399 HydrophobicContact CB-CD1 4.03Å; V322-L399 HydrophobicContact CG1-CB 4.3Å; K395-L399 WeakPolarHBondContact O-CB 3.48Å; K395-L399 VanDerWaalsContact O-CG 3.31Å; K395-L399 WeakPolarHBondContact O-CG 3.43Å; K395-L399 PolarHBondContact O-N 3.44Å; T396-L399 PolarHBondContact O-N 3.37Å; A397-L399 VanDerWaalsContact C-N 3.33Å; A397-L399 PolarHBondContact O-N 3.38Å; L399-G403 VanDerWaalsContact O-CA 3.25Å; L399-G403 WeakPolarHBondContact O-CA 3.42Å; L399-G403 PolarHBondContact O-N 3.28Å |
| 400 | V | 90.9 | Very high | 86.8 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70 | -39.1 | 174.5 | 164.7 | 0 | 0 | 0 | 0 | 111.3 | T396 A397 V479 L480 | T396-V400 HydrophobicContact CG2-CG2 4.32Å; T396-V400 WeakPolarHBondContact O-CB 3.26Å; T396-V400 VanDerWaalsContact O-CG2 3.27Å; T396-V400 WeakPolarHBondContact O-CG2 3.39Å; T396-V400 PolarHBondContact O-N 3.48Å; A397-V400 PolarHBondContact O-N 3.12Å; V400-V479 HydrophobicContact CB-CG1 4.45Å; V400-V479 HydrophobicContact CG1-CG1 4.19Å; V400-L480 HydrophobicContact CG1-CD2 4.1Å; V400-L480 HydrophobicContact CG2-CD2 4.44Å |
| 401 | L | 89.8 | Confident | 86.4 | Confident | 31 Ų | 31 | 55.8 Ų | 55.8 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -77 | -22.9 | 179.1 | -69 | 171 | 0 | 0 | 0 | 114.6 | L256 A397 V479 I482 | L256-L401 HydrophobicContact CB-CD1 4.23Å; L256-L401 HydrophobicContact CD2-CD1 4Å; L256-L401 HydrophobicContact CG-CD1 4.5Å; A397-L401 WeakPolarHBondContact O-CG 3.35Å; A397-L401 PolarHBondContact O-N 3.46Å; L401-V479 HydrophobicContact CD1-CG1 3.97Å; L401-V479 HydrophobicContact CD1-CG2 4.31Å; L401-V479 HydrophobicContact CD2-CG1 3.96Å; L401-V479 HydrophobicContact CG-CG1 3.67Å; L401-I482 HydrophobicContact CD2-CB 4.23Å; L401-I482 HydrophobicContact CD2-CG2 3.82Å |
| 402 | H | 84.3 | Confident | 86.2 | Confident | 145 Ų | 145 | 59.5 Ų | 59.5 | 67% | 0.671 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -121.7 | 8 | -175.7 | -55.6 | 89.7 | 0 | 0 | 0 | 113.3 | A398 | A398-H402 WeakPolarHBondContact O-CB 3.17Å; A398-H402 PolarHBondContact O-N 2.89Å; A398-H402 PolarHBondContact O-ND1 3.31Å |
| 403 | G | 69.8 | Low | 86.1 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 44% | 0.443 | 29% | 0.293 | S | S | . | . | trans | -65.9 | 162.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L399 | L399-G403 VanDerWaalsContact O-CA 3.25Å; L399-G403 WeakPolarHBondContact O-CA 3.42Å; L399-G403 PolarHBondContact O-N 3.28Å | ||
| 404 | R | 64.8 | Low | 86 | Confident | 238 Ų | 238 | 59.1 Ų | 59.1 | 90% | 0.898 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -97 | 144.6 | 164.1 | -70.5 | -171.9 | 178.2 | -162 | 0.3 | 108.9 | ||
| 405 | K | 65.2 | Low | 85.8 | Confident | 133 Ų | 133 | 62.2 Ų | 62.2 | 58% | 0.578 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 17 | 101 | 172.2 | -167.6 | 155 | -165.8 | 156.1 | 0 | 115.4 | E407 H494 | K405-E407 PolarHBondContact O-N 3.22Å; K405-H494 PolarHBondContact NZ-NE2 2.55Å; K405-H494 VanDerWaalsContact NZ-NE2 3.18Å |
| 406 | Q | 67.5 | Low | 85.8 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 17% | 0.173 | 30% | 0.295 | C | S | . | . | trans | -64.8 | 121.4 | -169.2 | -138.5 | 75 | -52.4 | 0 | 0 | 112.3 | V408 S483 N487 | Q406-V408 WeakPolarHBondContact CG-O 3.38Å; Q406-S483 PolarHBondContact NE2-OG 3.02Å; Q406-N487 WeakPolarHBondContact CB-OD1 3.19Å | ||
| 407 | E | 73.3 | Confident | 85.8 | Confident | 160 Ų | 160 | 59 Ų | 59 | 75% | 0.748 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -79.1 | -23.4 | 178 | -64.4 | -174.9 | 152 | 0 | 0 | 113.6 | H321 K405 | H321-E407 IonicContact CE1-OE2 2.94Å; H321-E407 IonicContact CG-OE2 2.66Å; H321-E407 IonicContact ND1-OE2 2.63Å; H321-E407 PolarHBondContact ND1-OE2 2.86Å; K405-E407 PolarHBondContact O-N 3.22Å |
| 408 | V | 84.5 | Confident | 85.8 | Confident | 23 Ų | 23 | 59 Ų | 59 | 14% | 0.139 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -122.5 | 149.3 | -178.1 | 175.9 | 0 | 0 | 0 | 0 | 107.8 | H321 Q406 E412 R413 | H321-V408 HydrophobicContact CB-CG2 3.89Å; H321-V408 VanDerWaalsContact CD2-CG2 3.41Å; H321-V408 WeakPolarHBondContact CD2-CG2 3.28Å; Q406-V408 WeakPolarHBondContact CG-O 3.38Å; V408-E412 HydrophobicContact CG1-CB 3.53Å; V408-E412 HydrophobicContact CG1-CG 4.44Å; V408-R413 HydrophobicContact CG1-CG 4.19Å; V408-R413 PolarHBondContact O-NH1 3.17Å |
| 409 | T | 89.3 | Confident | 85.7 | Confident | 71 Ų | 71 | 61.6 Ų | 61.6 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | trans | -70.2 | 174.9 | 178.7 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | V411 E412 R413 | T409-V411 PolarHBondContact OG1-N 3.45Å; T409-E412 WeakPolarHBondContact CB-OE2 3.27Å; T409-E412 VanDerWaalsContact CG2-OE2 3.24Å; T409-E412 WeakPolarHBondContact CG2-OE2 3.42Å; T409-E412 PolarHBondContact N-OE2 2.92Å; T409-E412 WeakPolarHBondContact OG1-CB 3.08Å; T409-E412 VanDerWaalsContact OG1-CD 3.26Å; T409-E412 WeakPolarHBondContact OG1-CG 3.31Å; T409-E412 PolarHBondContact OG1-N 3Å; T409-E412 VanDerWaalsContact OG1-N 3.12Å; T409-E412 PolarHBondContact OG1-OE2 2.75Å; T409-R413 PolarHBondContact O-NH1 3.33Å | ||
| 410 | A | 91.8 | Very high | 85.8 | Confident | 5 Ų | 5 | 59 Ų | 59 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -71.9 | -34.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L286 R413 S414 L484 | L286-A410 HydrophobicContact CD1-CB 3.93Å; L286-A410 WeakPolarHBondContact CD1-O 3.44Å; A410-R413 PolarHBondContact O-N 2.89Å; A410-S414 PolarHBondContact O-N 3.43Å; A410-L484 HydrophobicContact CB-CB 3.76Å; A410-L484 HydrophobicContact CB-CD1 4.37Å; A410-L484 HydrophobicContact CB-CG 4.39Å |
| 411 | V | 90.9 | Very high | 86 | Confident | 43 Ų | 43 | 58.6 Ų | 58.6 | 26% | 0.261 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -75.4 | -42.1 | -176.1 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | L286 T409 R413 S414 Q415 | L286-V411 HydrophobicContact CB-CG2 4.37Å; L286-V411 HydrophobicContact CD1-CG2 4.03Å; T409-V411 PolarHBondContact OG1-N 3.45Å; V411-R413 PolarHBondContact O-N 2.75Å; V411-S414 PolarHBondContact O-N 3.29Å; V411-S414 PolarHBondContact O-OG 2.81Å; V411-Q415 WeakPolarHBondContact O-CG 3.15Å; V411-Q415 PolarHBondContact O-N 3.35Å |
| 412 | E | 91.6 | Very high | 86.1 | Confident | 93 Ų | 93 | 58.1 Ų | 58.1 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.4 | -39 | 171.8 | -69.8 | 156.4 | 141.1 | 0 | 0 | 110.4 | V408 T409 Q415 T416 | V408-E412 HydrophobicContact CG1-CB 3.53Å; V408-E412 HydrophobicContact CG1-CG 4.44Å; T409-E412 WeakPolarHBondContact CB-OE2 3.27Å; T409-E412 VanDerWaalsContact CG2-OE2 3.24Å; T409-E412 WeakPolarHBondContact CG2-OE2 3.42Å; T409-E412 PolarHBondContact N-OE2 2.92Å; T409-E412 WeakPolarHBondContact OG1-CB 3.08Å; T409-E412 VanDerWaalsContact OG1-CD 3.26Å; T409-E412 WeakPolarHBondContact OG1-CG 3.31Å; T409-E412 PolarHBondContact OG1-N 3Å; T409-E412 VanDerWaalsContact OG1-N 3.12Å; T409-E412 PolarHBondContact OG1-OE2 2.75Å; E412-Q415 PolarHBondContact O-N 3.36Å; E412-T416 PolarHBondContact O-N 3.44Å; E412-T416 PolarHBondContact O-OG1 3.19Å |
| 413 | R | 92.6 | Very high | 86.4 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 174.4 | -79.6 | -165.3 | -168.7 | 76.6 | 0.8 | 114.3 | L320 V408 T409 A410 V411 Q415 T416 L417 L480 | L320-R413 HydrophobicContact CD2-CG 4.25Å; L320-R413 PolarHBondContact O-NE 2.91Å; L320-R413 PolarHBondContact O-NH2 2.88Å; V408-R413 HydrophobicContact CG1-CG 4.19Å; V408-R413 PolarHBondContact O-NH1 3.17Å; T409-R413 PolarHBondContact O-NH1 3.33Å; A410-R413 PolarHBondContact O-N 2.89Å; V411-R413 PolarHBondContact O-N 2.75Å; R413-Q415 VanDerWaalsContact C-N 3.29Å; R413-Q415 PolarHBondContact O-N 3.16Å; R413-T416 PolarHBondContact O-N 3.2Å; R413-L417 VanDerWaalsContact O-CB 3.26Å; R413-L417 WeakPolarHBondContact O-CB 3.4Å; R413-L417 WeakPolarHBondContact O-CD1 3.4Å; R413-L417 WeakPolarHBondContact O-CG 3.42Å; R413-L417 PolarHBondContact O-N 2.98Å; R413-L480 HydrophobicContact CB-CD1 4.48Å; R413-L480 HydrophobicContact CB-CD2 4.42Å |
| 414 | S | 93.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64 | -39.3 | 177 | 57.9 | 0 | 0 | 0 | 0 | 110.9 | A289 A410 V411 L417 S418 | A289-S414 VanDerWaalsContact CB-OG 3.25Å; A289-S414 WeakPolarHBondContact CB-OG 3.16Å; A410-S414 PolarHBondContact O-N 3.43Å; V411-S414 PolarHBondContact O-N 3.29Å; V411-S414 PolarHBondContact O-OG 2.81Å; S414-L417 PolarHBondContact O-N 3.13Å; S414-S418 PolarHBondContact O-N 3.46Å |
| 415 | Q | 93.2 | Very high | 89 | Confident | 106 Ų | 106 | 39.9 Ų | 39.9 | 50% | 0.495 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62 | -51.9 | 173.2 | -68.7 | 170.8 | -13.2 | 0 | 0 | 112 | A289 V411 E412 R413 L417 S418 Q419 | A289-Q415 HydrophobicContact CB-CG 4.07Å; V411-Q415 WeakPolarHBondContact O-CG 3.15Å; V411-Q415 PolarHBondContact O-N 3.35Å; E412-Q415 PolarHBondContact O-N 3.36Å; R413-Q415 VanDerWaalsContact C-N 3.29Å; R413-Q415 PolarHBondContact O-N 3.16Å; Q415-L417 PolarHBondContact O-N 2.97Å; Q415-S418 PolarHBondContact O-N 3.24Å; Q415-S418 VanDerWaalsContact O-N 3.16Å; Q415-Q419 WeakPolarHBondContact O-CG 3.49Å; Q415-Q419 PolarHBondContact O-N 3.46Å |
| 416 | T | 93.7 | Very high | 90.2 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 7% | 0.074 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.1 | -34.9 | 175.6 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | L316 Q319 L320 E412 R413 M420 | L316-T416 HydrophobicContact CB-CG2 4.13Å; L316-T416 HydrophobicContact CD2-CG2 3.94Å; L316-T416 WeakPolarHBondContact O-CG2 3.44Å; Q319-T416 HydrophobicContact CB-CG2 3.89Å; L320-T416 HydrophobicContact CD2-CG2 3.58Å; L320-T416 HydrophobicContact CG-CG2 3.78Å; E412-T416 PolarHBondContact O-N 3.44Å; E412-T416 PolarHBondContact O-OG1 3.19Å; R413-T416 PolarHBondContact O-N 3.2Å; T416-M420 WeakPolarHBondContact O-CB 3.27Å; T416-M420 PolarHBondContact O-N 2.83Å |
| 417 | L | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -73.4 | -35.4 | 176.2 | -75 | 163.3 | 0 | 0 | 0 | 113.1 | L320 F393 T396 R413 S414 Q415 M420 T421 F473 L476 L480 | L320-L417 HydrophobicContact CD1-CD2 4.24Å; L320-L417 HydrophobicContact CD2-CD1 4.46Å; L320-L417 HydrophobicContact CD2-CD2 4.1Å; L320-L417 HydrophobicContact CD2-CG 3.8Å; F393-L417 HydrophobicContact CD1-CD2 3.91Å; F393-L417 HydrophobicContact CE1-CD2 3.86Å; T396-L417 HydrophobicContact CG2-CD1 4.48Å; T396-L417 HydrophobicContact CG2-CD2 4.31Å; R413-L417 VanDerWaalsContact O-CB 3.26Å; R413-L417 WeakPolarHBondContact O-CB 3.4Å; R413-L417 WeakPolarHBondContact O-CD1 3.4Å; R413-L417 WeakPolarHBondContact O-CG 3.42Å; R413-L417 PolarHBondContact O-N 2.98Å; S414-L417 PolarHBondContact O-N 3.13Å; Q415-L417 PolarHBondContact O-N 2.97Å; L417-M420 WeakPolarHBondContact O-CB 3.42Å; L417-M420 PolarHBondContact O-N 3.2Å; L417-T421 WeakPolarHBondContact O-CB 3.48Å; L417-T421 PolarHBondContact O-N 2.86Å; L417-T421 PolarHBondContact O-OG1 3.35Å; L417-F473 HydrophobicContact CB-CD2 4.01Å; L417-F473 HydrophobicContact CB-CE2 3.68Å; L417-L476 HydrophobicContact CD1-CD1 3.75Å; L417-L476 HydrophobicContact CD2-CD1 3.82Å; L417-L476 HydrophobicContact CG-CD1 4.24Å; L417-L480 HydrophobicContact CD1-CD1 3.99Å; L417-L480 HydrophobicContact CD1-CD2 4.47Å |
| 418 | S | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.6 | -52.5 | 170.6 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | E294 S414 Q415 M420 T421 I422 | E294-S418 PolarHBondContact OE2-OG 2.93Å; S414-S418 PolarHBondContact O-N 3.46Å; Q415-S418 PolarHBondContact O-N 3.24Å; Q415-S418 VanDerWaalsContact O-N 3.16Å; S418-M420 VanDerWaalsContact C-N 3.33Å; S418-M420 PolarHBondContact O-N 3Å; S418-T421 CarbonylContact O-C 3.6Å; S418-T421 WeakPolarHBondContact O-CA 3.25Å; S418-T421 WeakPolarHBondContact O-CB 3.25Å; S418-T421 PolarHBondContact O-N 3.38Å; S418-I422 WeakPolarHBondContact O-CG1 3.42Å; S418-I422 PolarHBondContact O-N 3.5Å |
| 419 | Q | 92.4 | Very high | 92.8 | Very high | 85 Ų | 85 | 30.3 Ų | 30.3 | 40% | 0.397 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 179.2 | -62.7 | -58.2 | -47.5 | 0 | 0 | 112.5 | L316 Q415 T421 I422 V423 | L316-Q419 HydrophobicContact CD1-CB 4.42Å; L316-Q419 HydrophobicContact CD2-CB 3.96Å; Q415-Q419 WeakPolarHBondContact O-CG 3.49Å; Q415-Q419 PolarHBondContact O-N 3.46Å; Q419-T421 VanDerWaalsContact C-N 3.34Å; Q419-T421 PolarHBondContact O-N 3.14Å; Q419-I422 PolarHBondContact O-N 2.98Å; Q419-V423 WeakPolarHBondContact O-CG2 3.25Å; Q419-V423 PolarHBondContact O-N 3.02Å |
| 420 | M | 93.5 | Very high | 93 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.8 | -47.2 | 170.9 | -167.5 | 77 | 70.6 | 0 | 0 | 111.7 | I313 L316 F317 L320 F393 T416 L417 S418 I422 V423 L424 | I313-M420 HydrophobicContact CD1-SD 3.55Å; I313-M420 VanDerWaalsContact CD1-SD 3.55Å; L316-M420 HydrophobicContact CB-CE 3.5Å; L316-M420 VanDerWaalsContact CB-CE 3.5Å; L316-M420 HydrophobicContact CB-SD 4.13Å; L316-M420 HydrophobicContact CD1-SD 4.34Å; F317-M420 HydrophobicContact CD2-CE 3.37Å; F317-M420 HydrophobicContact CD2-SD 3.98Å; F317-M420 HydrophobicContact CE2-CE 3.69Å; F317-M420 HydrophobicContact CE2-SD 3.87Å; F317-M420 HydrophobicContact CG-CE 4.24Å; L320-M420 HydrophobicContact CD1-CE 3.86Å; F393-M420 HydrophobicContact CE1-CG 4.13Å; T416-M420 WeakPolarHBondContact O-CB 3.27Å; T416-M420 PolarHBondContact O-N 2.83Å; L417-M420 WeakPolarHBondContact O-CB 3.42Å; L417-M420 PolarHBondContact O-N 3.2Å; S418-M420 VanDerWaalsContact C-N 3.33Å; S418-M420 PolarHBondContact O-N 3Å; M420-I422 PolarHBondContact O-N 3.1Å; M420-V423 PolarHBondContact O-N 3.17Å; M420-L424 HydrophobicContact CG-CD1 4.04Å; M420-L424 WeakPolarHBondContact O-CB 3.31Å; M420-L424 WeakPolarHBondContact O-CD1 3.39Å; M420-L424 WeakPolarHBondContact O-CG 3.39Å; M420-L424 PolarHBondContact O-N 3.44Å |
| 421 | T | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | -179.6 | -50.5 | 0 | 0 | 0 | 0 | 110.6 | F295 F393 L417 S418 Q419 L424 C425 I469 Q470 F473 | F295-T421 HydrophobicContact CD1-CG2 4.41Å; F295-T421 HydrophobicContact CE1-CG2 3.38Å; F295-T421 HydrophobicContact CZ-CG2 3.84Å; F393-T421 VanDerWaalsContact CZ-OG1 3.26Å; F393-T421 WeakPolarHBondContact CZ-OG1 3.25Å; L417-T421 WeakPolarHBondContact O-CB 3.48Å; L417-T421 PolarHBondContact O-N 2.86Å; L417-T421 PolarHBondContact O-OG1 3.35Å; S418-T421 CarbonylContact O-C 3.6Å; S418-T421 WeakPolarHBondContact O-CA 3.25Å; S418-T421 WeakPolarHBondContact O-CB 3.25Å; S418-T421 PolarHBondContact O-N 3.38Å; Q419-T421 VanDerWaalsContact C-N 3.34Å; Q419-T421 PolarHBondContact O-N 3.14Å; T421-L424 PolarHBondContact O-N 3.46Å; T421-C425 PolarHBondContact O-N 3.41Å; T421-C425 PolarHBondContact O-SG 3.11Å; T421-I469 HydrophobicContact CG2-CG2 3.91Å; T421-Q470 HydrophobicContact CG2-CG 4.22Å; T421-F473 HydrophobicContact CG2-CB 3.79Å; T421-F473 HydrophobicContact CG2-CD1 4.17Å; T421-F473 HydrophobicContact CG2-CG 4.06Å; T421-F473 WeakPolarHBondContact OG1-CB 3.43Å; T421-F473 WeakPolarHBondContact OG1-CD2 3.45Å; T421-F473 WeakPolarHBondContact OG1-CG 3.36Å |
| 422 | I | 91.6 | Very high | 93.3 | Very high | 20 Ų | 20 | 26.6 Ų | 26.6 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.1 | -49 | 175.8 | -64.6 | 167.1 | 0 | 0 | 0 | 111 | E294 F295 S418 Q419 M420 L424 C425 K426 | E294-I422 HydrophobicContact CB-CD1 3.82Å; F295-I422 HydrophobicContact CD1-CG1 3.75Å; F295-I422 HydrophobicContact CE1-CB 4.37Å; F295-I422 HydrophobicContact CE1-CG1 3.46Å; F295-I422 VanDerWaalsContact CE1-CG1 3.46Å; F295-I422 HydrophobicContact CE2-CG1 4.31Å; F295-I422 HydrophobicContact CG-CG1 4.28Å; F295-I422 HydrophobicContact CZ-CD1 4.48Å; F295-I422 HydrophobicContact CZ-CG1 3.78Å; S418-I422 WeakPolarHBondContact O-CG1 3.42Å; S418-I422 PolarHBondContact O-N 3.5Å; Q419-I422 PolarHBondContact O-N 2.98Å; M420-I422 PolarHBondContact O-N 3.1Å; I422-L424 VanDerWaalsContact C-N 3.31Å; I422-L424 PolarHBondContact O-N 2.85Å; I422-C425 PolarHBondContact O-N 2.97Å; I422-K426 HydrophobicContact CG2-CD 4.21Å; I422-K426 HydrophobicContact CG2-CG 4.47Å; I422-K426 WeakPolarHBondContact O-CB 3.33Å; I422-K426 PolarHBondContact O-N 2.92Å |
| 423 | V | 92.1 | Very high | 93.4 | Very high | 27 Ų | 27 | 28.3 Ų | 28.3 | 16% | 0.164 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.1 | -40 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | F309 I313 L316 Q419 M420 K426 E427 | F309-V423 HydrophobicContact CD2-CG1 3.62Å; F309-V423 HydrophobicContact CE2-CG1 3.83Å; I313-V423 HydrophobicContact CD1-CB 4.27Å; I313-V423 HydrophobicContact CD1-CG1 3.68Å; I313-V423 HydrophobicContact CG1-CG1 3.99Å; L316-V423 HydrophobicContact CD1-CG2 4.19Å; Q419-V423 WeakPolarHBondContact O-CG2 3.25Å; Q419-V423 PolarHBondContact O-N 3.02Å; M420-V423 PolarHBondContact O-N 3.17Å; V423-K426 PolarHBondContact O-N 3.37Å; V423-E427 VanDerWaalsContact O-CB 3.29Å; V423-E427 WeakPolarHBondContact O-CB 3.3Å; V423-E427 PolarHBondContact O-N 3.26Å |
| 424 | L | 94.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.1 | -41.5 | 176.1 | -68.7 | 168 | 0 | 0 | 0 | 112.9 | I313 L329 F393 M420 T421 I422 E427 L428 I469 | I313-L424 HydrophobicContact CD1-CD2 4.32Å; I313-L424 HydrophobicContact CD1-CG 4.48Å; L329-L424 HydrophobicContact CD1-CD2 3.82Å; L329-L424 HydrophobicContact CD2-CD2 3.74Å; L329-L424 HydrophobicContact CG-CD2 4.37Å; F393-L424 HydrophobicContact CZ-CD1 4.02Å; M420-L424 HydrophobicContact CG-CD1 4.04Å; M420-L424 WeakPolarHBondContact O-CB 3.31Å; M420-L424 WeakPolarHBondContact O-CD1 3.39Å; M420-L424 WeakPolarHBondContact O-CG 3.39Å; M420-L424 PolarHBondContact O-N 3.44Å; T421-L424 PolarHBondContact O-N 3.46Å; I422-L424 VanDerWaalsContact C-N 3.31Å; I422-L424 PolarHBondContact O-N 2.85Å; L424-E427 PolarHBondContact O-N 3.3Å; L424-L428 PolarHBondContact O-N 3.18Å; L424-I469 HydrophobicContact CB-CD1 4.06Å; L424-I469 HydrophobicContact CB-CG2 4.16Å; L424-I469 HydrophobicContact CD1-CG2 4.13Å |
| 425 | C | 93.6 | Very high | 93.6 | Very high | 15 Ų | 15 | 30 Ų | 30 | 10% | 0.101 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.6 | -39.6 | 175 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | T421 I422 S429 A466 | T421-C425 PolarHBondContact O-N 3.41Å; T421-C425 PolarHBondContact O-SG 3.11Å; I422-C425 PolarHBondContact O-N 2.97Å; C425-S429 WeakPolarHBondContact O-CB 3.3Å; C425-S429 PolarHBondContact O-N 3.35Å; C425-S429 VanDerWaalsContact O-N 3.11Å; C425-S429 PolarHBondContact O-OG 2.7Å; C425-A466 HydrophobicContact CB-CB 4.5Å |
| 426 | K | 91.4 | Very high | 93.6 | Very high | 89 Ų | 89 | 26 Ų | 26 | 39% | 0.387 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -62 | -42 | 172.7 | -77.3 | -175.2 | 171.6 | -176.1 | 0 | 111.2 | E301 I422 V423 S429 S430 | E301-K426 IonicContact OE2-NZ 3.84Å; E301-K426 PolarHBondContact OE2-NZ 3.44Å; I422-K426 HydrophobicContact CG2-CD 4.21Å; I422-K426 HydrophobicContact CG2-CG 4.47Å; I422-K426 WeakPolarHBondContact O-CB 3.33Å; I422-K426 PolarHBondContact O-N 2.92Å; V423-K426 PolarHBondContact O-N 3.37Å; K426-S429 WeakPolarHBondContact O-CB 3.2Å; K426-S429 PolarHBondContact O-N 3.48Å; K426-S430 PolarHBondContact O-N 3.19Å |
| 427 | E | 92.7 | Very high | 93.6 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.7 | -48.4 | 177.9 | 178.3 | 63.9 | -160.6 | 0 | 0 | 112.8 | F309 R333 H337 L385 V423 L424 S429 S430 L431 | F309-E427 HydrophobicContact CD2-CB 3.81Å; F309-E427 HydrophobicContact CD2-CG 3.87Å; F309-E427 WeakPolarHBondContact CD2-OE2 3.42Å; F309-E427 HydrophobicContact CE1-CG 4.49Å; F309-E427 HydrophobicContact CE2-CB 3.49Å; F309-E427 VanDerWaalsContact CE2-CB 3.49Å; F309-E427 HydrophobicContact CE2-CG 3.47Å; F309-E427 VanDerWaalsContact CE2-CG 3.47Å; F309-E427 HydrophobicContact CZ-CB 4.3Å; F309-E427 HydrophobicContact CZ-CG 3.82Å; R333-E427 HydrophobicContact CG-CG 4.33Å; R333-E427 WeakPolarHBondContact CG-OE1 3.43Å; R333-E427 IonicContact CZ-OE1 2.87Å; R333-E427 IonicContact CZ-OE2 2.62Å; R333-E427 IonicContact NE-OE1 2.68Å; R333-E427 PolarHBondContact NE-OE1 3.44Å; R333-E427 IonicContact NE-OE2 3.21Å; R333-E427 IonicContact NH2-OE1 2.69Å; R333-E427 PolarHBondContact NH2-OE1 3.39Å; R333-E427 IonicContact NH2-OE2 2.72Å; R333-E427 PolarHBondContact NH2-OE2 3.04Å; H337-E427 IonicContact CE1-OE1 3.29Å; H337-E427 PolarHBondContact CE1-OE1 3.5Å; H337-E427 IonicContact ND1-OE1 2.61Å; H337-E427 IonicContact NE2-OE1 2.71Å; L385-E427 HydrophobicContact CD2-CG 4.01Å; V423-E427 VanDerWaalsContact O-CB 3.29Å; V423-E427 WeakPolarHBondContact O-CB 3.3Å; V423-E427 PolarHBondContact O-N 3.26Å; L424-E427 PolarHBondContact O-N 3.3Å; E427-S429 PolarHBondContact O-N 2.88Å; E427-S430 WeakPolarHBondContact O-CB 3.48Å; E427-S430 PolarHBondContact O-N 2.86Å; E427-S430 VanDerWaalsContact O-N 3.14Å; E427-L431 WeakPolarHBondContact O-CB 3.5Å; E427-L431 PolarHBondContact O-N 3.44Å |
| 428 | L | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55.5 | -42.1 | 173.1 | -78.1 | 168.8 | 0 | 0 | 0 | 111.9 | L382 L385 L424 L431 S432 A466 I469 | L382-L428 HydrophobicContact CD2-CD2 3.67Å; L385-L428 HydrophobicContact CD2-CD2 3.94Å; L385-L428 HydrophobicContact CD2-CG 4.3Å; L424-L428 PolarHBondContact O-N 3.18Å; L428-L431 PolarHBondContact O-N 3Å; L428-S432 WeakPolarHBondContact O-CB 3.34Å; L428-S432 PolarHBondContact O-N 3.27Å; L428-A466 HydrophobicContact CD1-CB 4.38Å; L428-I469 HydrophobicContact CD1-CD1 3.57Å; L428-I469 HydrophobicContact CG-CD1 4.5Å |
| 429 | S | 92.3 | Very high | 93.5 | Very high | 53 Ų | 53 | 29 Ų | 29 | 37% | 0.371 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.8 | -36.8 | 178.5 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | C425 K426 E427 K433 | C425-S429 WeakPolarHBondContact O-CB 3.3Å; C425-S429 PolarHBondContact O-N 3.35Å; C425-S429 VanDerWaalsContact O-N 3.11Å; C425-S429 PolarHBondContact O-OG 2.7Å; K426-S429 WeakPolarHBondContact O-CB 3.2Å; K426-S429 PolarHBondContact O-N 3.48Å; E427-S429 PolarHBondContact O-N 2.88Å; S429-K433 WeakPolarHBondContact O-CD 3.43Å; S429-K433 VanDerWaalsContact O-CG 3.25Å; S429-K433 WeakPolarHBondContact O-CG 3.47Å; S429-K433 PolarHBondContact O-N 2.89Å |
| 430 | S | 92.4 | Very high | 93.5 | Very high | 40 Ų | 40 | 28.2 Ų | 28.2 | 28% | 0.28 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.1 | -50.7 | 172.6 | -169.4 | 0 | 0 | 0 | 0 | 110.9 | K426 E427 S432 K433 E434 | K426-S430 PolarHBondContact O-N 3.19Å; E427-S430 WeakPolarHBondContact O-CB 3.48Å; E427-S430 PolarHBondContact O-N 2.86Å; E427-S430 VanDerWaalsContact O-N 3.14Å; S430-S432 VanDerWaalsContact C-N 3.31Å; S430-S432 PolarHBondContact O-N 2.88Å; S430-K433 WeakPolarHBondContact O-CA 3.1Å; S430-K433 WeakPolarHBondContact O-CB 3.44Å; S430-K433 PolarHBondContact O-N 3.33Å; S430-E434 WeakPolarHBondContact O-CG 3.31Å; S430-E434 PolarHBondContact O-N 3.11Å |
| 431 | L | 93.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.2 | -40.5 | -179.1 | -171.8 | 68 | 0 | 0 | 0 | 112 | A336 I340 L382 L385 E427 L428 E434 F435 | A336-L431 HydrophobicContact CB-CD1 3.85Å; A336-L431 HydrophobicContact CB-CD2 4.42Å; I340-L431 HydrophobicContact CD1-CD1 3.48Å; I340-L431 VanDerWaalsContact CD1-CD1 3.48Å; L382-L431 HydrophobicContact CD2-CD2 4.26Å; L385-L431 HydrophobicContact CD2-CD2 4.31Å; E427-L431 WeakPolarHBondContact O-CB 3.5Å; E427-L431 PolarHBondContact O-N 3.44Å; L428-L431 PolarHBondContact O-N 3Å; L431-E434 PolarHBondContact O-N 2.99Å; L431-F435 HydrophobicContact CD1-CD2 4.15Å; L431-F435 HydrophobicContact CD1-CE2 3.61Å; L431-F435 HydrophobicContact CD1-CZ 4.15Å; L431-F435 HydrophobicContact CD2-CE2 3.94Å; L431-F435 HydrophobicContact CG-CD2 3.83Å; L431-F435 HydrophobicContact CG-CE2 3.51Å; L431-F435 HydrophobicContact CG-CZ 4.49Å; L431-F435 VanDerWaalsContact O-CD2 3.26Å; L431-F435 WeakPolarHBondContact O-CD2 3.21Å; L431-F435 PolarHBondContact O-N 3.35Å |
| 432 | S | 95.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.4 | -47.3 | 171.9 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | L428 S430 E434 F435 T436 F459 | L428-S432 WeakPolarHBondContact O-CB 3.34Å; L428-S432 PolarHBondContact O-N 3.27Å; S430-S432 VanDerWaalsContact C-N 3.31Å; S430-S432 PolarHBondContact O-N 2.88Å; S432-E434 VanDerWaalsContact C-N 3.34Å; S432-E434 PolarHBondContact O-N 3.49Å; S432-F435 PolarHBondContact O-N 2.63Å; S432-T436 WeakPolarHBondContact O-CB 3.42Å; S432-T436 PolarHBondContact O-N 3.39Å; S432-T436 PolarHBondContact O-OG1 3.02Å; S432-F459 WeakPolarHBondContact OG-CD1 3.4Å; S432-F459 WeakPolarHBondContact OG-CE1 3.32Å |
| 433 | K | 94.4 | Very high | 93 | Very high | 129 Ų | 129 | 32.5 Ų | 32.5 | 56% | 0.561 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -64 | -37.3 | 178.6 | -68 | 164.1 | -175.5 | 178.1 | 0 | 111.8 | S429 S430 T437 F459 | S429-K433 WeakPolarHBondContact O-CD 3.43Å; S429-K433 VanDerWaalsContact O-CG 3.25Å; S429-K433 WeakPolarHBondContact O-CG 3.47Å; S429-K433 PolarHBondContact O-N 2.89Å; S430-K433 WeakPolarHBondContact O-CA 3.1Å; S430-K433 WeakPolarHBondContact O-CB 3.44Å; S430-K433 PolarHBondContact O-N 3.33Å; K433-T437 PolarHBondContact O-N 3.46Å; K433-T437 PolarHBondContact O-OG1 3.35Å; K433-F459 HydrophobicContact CG-CE1 4.38Å |
| 434 | E | 94.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.9 | -39 | 177.2 | -59.2 | -142.1 | 155.1 | 0 | 0 | 112.6 | K303 I340 S430 L431 S432 T437 C438 | K303-E434 IonicContact NZ-OE1 3.5Å; K303-E434 PolarHBondContact NZ-OE1 3.39Å; I340-E434 HydrophobicContact CD1-CB 4.03Å; I340-E434 HydrophobicContact CG2-CB 4.13Å; S430-E434 WeakPolarHBondContact O-CG 3.31Å; S430-E434 PolarHBondContact O-N 3.11Å; L431-E434 PolarHBondContact O-N 2.99Å; S432-E434 VanDerWaalsContact C-N 3.34Å; S432-E434 PolarHBondContact O-N 3.49Å; E434-T437 WeakPolarHBondContact O-CB 3.18Å; E434-T437 PolarHBondContact O-N 3.3Å; E434-T437 VanDerWaalsContact O-N 3.16Å; E434-C438 PolarHBondContact O-N 2.91Å; E434-C438 PolarHBondContact O-SG 2.92Å |
| 435 | F | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 171.4 | -76.6 | -52.5 | 0 | 0 | 0 | 112.7 | A336 W339 I340 F377 A378 L431 S432 T437 C438 L439 V458 | A336-F435 HydrophobicContact CB-CZ 4.37Å; W339-F435 AromaticContact CE3-CE1 3.92Å; W339-F435 HydrophobicContact CE3-CE1 3.92Å; W339-F435 HydrophobicContact CZ3-CD1 4.31Å; W339-F435 AromaticContact CZ3-CE1 3.89Å; W339-F435 HydrophobicContact CZ3-CE1 3.89Å; I340-F435 HydrophobicContact CD1-CD1 3.97Å; I340-F435 HydrophobicContact CD1-CD2 4.39Å; I340-F435 HydrophobicContact CD1-CE1 3.68Å; I340-F435 HydrophobicContact CD1-CE2 4.14Å; I340-F435 HydrophobicContact CD1-CG 4.3Å; I340-F435 HydrophobicContact CD1-CZ 3.77Å; I340-F435 HydrophobicContact CG1-CD1 3.83Å; I340-F435 HydrophobicContact CG1-CE1 3.46Å; I340-F435 VanDerWaalsContact CG1-CE1 3.46Å; I340-F435 HydrophobicContact CG1-CZ 4.01Å; F377-F435 AromaticContact CD1-CE1 3.68Å; F377-F435 HydrophobicContact CD1-CE1 3.68Å; F377-F435 AromaticContact CD1-CZ 3.74Å; F377-F435 HydrophobicContact CD1-CZ 3.74Å; F377-F435 HydrophobicContact CE1-CE1 4.09Å; F377-F435 AromaticContact CE1-CZ 3.89Å; F377-F435 HydrophobicContact CE1-CZ 3.89Å; A378-F435 HydrophobicContact CB-CB 3.78Å; A378-F435 HydrophobicContact CB-CD1 3.78Å; A378-F435 HydrophobicContact CB-CD2 3.54Å; A378-F435 HydrophobicContact CB-CE1 4.23Å; A378-F435 HydrophobicContact CB-CE2 4Å; A378-F435 HydrophobicContact CB-CG 3.43Å; A378-F435 VanDerWaalsContact CB-CG 3.43Å; A378-F435 HydrophobicContact CB-CZ 4.33Å; L431-F435 HydrophobicContact CD1-CD2 4.15Å; L431-F435 HydrophobicContact CD1-CE2 3.61Å; L431-F435 HydrophobicContact CD1-CZ 4.15Å; L431-F435 HydrophobicContact CD2-CE2 3.94Å; L431-F435 HydrophobicContact CG-CD2 3.83Å; L431-F435 HydrophobicContact CG-CE2 3.51Å; L431-F435 HydrophobicContact CG-CZ 4.49Å; L431-F435 VanDerWaalsContact O-CD2 3.26Å; L431-F435 WeakPolarHBondContact O-CD2 3.21Å; L431-F435 PolarHBondContact O-N 3.35Å; S432-F435 PolarHBondContact O-N 2.63Å; F435-T437 PolarHBondContact O-N 3.45Å; F435-C438 WeakPolarHBondContact O-CB 3.14Å; F435-C438 PolarHBondContact O-N 3.46Å; F435-C438 VanDerWaalsContact O-N 3.15Å; F435-L439 WeakPolarHBondContact O-CG 3.47Å; F435-L439 PolarHBondContact O-N 3.03Å; F435-V458 HydrophobicContact CB-CG1 4.11Å |
| 436 | T | 94.3 | Very high | 92.1 | Very high | 21 Ų | 21 | 49.9 Ų | 49.9 | 13% | 0.129 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -38.5 | 169.8 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | S432 L439 T440 I455 F459 | S432-T436 WeakPolarHBondContact O-CB 3.42Å; S432-T436 PolarHBondContact O-N 3.39Å; S432-T436 PolarHBondContact O-OG1 3.02Å; T436-L439 PolarHBondContact O-N 3.11Å; T436-T440 WeakPolarHBondContact O-CB 3.34Å; T436-T440 PolarHBondContact O-N 3.25Å; T436-T440 PolarHBondContact O-OG1 3.2Å; T436-I455 HydrophobicContact CG2-CD1 4.32Å; T436-I455 HydrophobicContact CG2-CG1 4.31Å; T436-I455 HydrophobicContact CG2-CG2 3.68Å; T436-F459 HydrophobicContact CG2-CE2 3.98Å; T436-F459 HydrophobicContact CG2-CZ 4.28Å; T436-F459 VanDerWaalsContact OG1-CE2 3.25Å; T436-F459 WeakPolarHBondContact OG1-CE2 3.26Å; T436-F459 WeakPolarHBondContact OG1-CZ 3.24Å |
| 437 | T | 94.1 | Very high | 91.9 | Very high | 73 Ų | 73 | 52.1 Ų | 52.1 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 111.3 | L344 K433 E434 F435 T441 | L344-T437 HydrophobicContact CD2-CG2 4.3Å; K433-T437 PolarHBondContact O-N 3.46Å; K433-T437 PolarHBondContact O-OG1 3.35Å; E434-T437 WeakPolarHBondContact O-CB 3.18Å; E434-T437 PolarHBondContact O-N 3.3Å; E434-T437 VanDerWaalsContact O-N 3.16Å; F435-T437 PolarHBondContact O-N 3.45Å; T437-T441 VanDerWaalsContact O-CB 3.25Å; T437-T441 WeakPolarHBondContact O-CB 3.37Å; T437-T441 PolarHBondContact O-N 3.43Å; T437-T441 PolarHBondContact O-OG1 3.34Å |
| 438 | C | 93.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.027 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -50.9 | 173.6 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | I374 E434 F435 T440 T441 A442 | I374-C438 HydrophobicContact CG2-CB 3.72Å; E434-C438 PolarHBondContact O-N 2.91Å; E434-C438 PolarHBondContact O-SG 2.92Å; F435-C438 WeakPolarHBondContact O-CB 3.14Å; F435-C438 PolarHBondContact O-N 3.46Å; F435-C438 VanDerWaalsContact O-N 3.15Å; C438-T440 PolarHBondContact O-N 3.21Å; C438-T441 PolarHBondContact O-N 3.2Å; C438-T441 VanDerWaalsContact O-N 3.15Å; C438-A442 PolarHBondContact O-N 3.18Å |
| 439 | L | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.8 | -49.2 | 177.5 | -77.1 | 171.4 | 0 | 0 | 0 | 111.2 | I371 I374 H375 F435 T436 T441 A442 G443 L451 L454 I455 V458 | I371-L439 HydrophobicContact CB-CD2 4.38Å; I371-L439 VanDerWaalsContact O-CD2 3.3Å; I371-L439 WeakPolarHBondContact O-CD2 3.15Å; I374-L439 HydrophobicContact CB-CD2 3.86Å; I374-L439 HydrophobicContact CB-CG 4.44Å; I374-L439 HydrophobicContact CG2-CD2 3.74Å; I374-L439 HydrophobicContact CG2-CG 3.75Å; H375-L439 HydrophobicContact CB-CD2 4.32Å; F435-L439 WeakPolarHBondContact O-CG 3.47Å; F435-L439 PolarHBondContact O-N 3.03Å; T436-L439 PolarHBondContact O-N 3.11Å; L439-T441 VanDerWaalsContact C-N 3.29Å; L439-T441 PolarHBondContact O-N 3.19Å; L439-A442 PolarHBondContact O-N 3.25Å; L439-G443 WeakPolarHBondContact O-CA 3.48Å; L439-G443 PolarHBondContact O-N 3.42Å; L439-L451 HydrophobicContact CB-CD1 4.16Å; L439-L454 HydrophobicContact CD1-CB 4.31Å; L439-L454 HydrophobicContact CD2-CB 4.41Å; L439-L454 HydrophobicContact CD2-CD1 4.49Å; L439-I455 HydrophobicContact CB-CG1 4.03Å; L439-I455 HydrophobicContact CD1-CG1 3.9Å; L439-V458 HydrophobicContact CD1-CG2 4Å |
| 440 | T | 92.5 | Very high | 91.2 | Very high | 67 Ų | 67 | 61 Ų | 61 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.7 | -33.9 | 179.4 | -50.5 | 0 | 0 | 0 | 0 | 112 | T436 C438 V444 | T436-T440 WeakPolarHBondContact O-CB 3.34Å; T436-T440 PolarHBondContact O-N 3.25Å; T436-T440 PolarHBondContact O-OG1 3.2Å; C438-T440 PolarHBondContact O-N 3.21Å; T440-V444 WeakPolarHBondContact O-CG2 3.48Å; T440-V444 PolarHBondContact O-N 2.96Å |
| 441 | T | 91.2 | Very high | 91.1 | Very high | 64 Ų | 64 | 59.9 Ų | 59.9 | 39% | 0.393 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -76.8 | -33.2 | -179.4 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | T437 C438 L439 V444 | T437-T441 VanDerWaalsContact O-CB 3.25Å; T437-T441 WeakPolarHBondContact O-CB 3.37Å; T437-T441 PolarHBondContact O-N 3.43Å; T437-T441 PolarHBondContact O-OG1 3.34Å; C438-T441 PolarHBondContact O-N 3.2Å; C438-T441 VanDerWaalsContact O-N 3.15Å; L439-T441 VanDerWaalsContact C-N 3.29Å; L439-T441 PolarHBondContact O-N 3.19Å; T441-V444 WeakPolarHBondContact O-CG2 3.32Å |
| 442 | A | 89.7 | Confident | 91.1 | Very high | 46 Ų | 46 | 64 Ų | 64 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -78.3 | -45.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I371 I374 C438 L439 V444 | I371-A442 HydrophobicContact CG2-CB 4.24Å; I374-A442 HydrophobicContact CD1-CB 3.36Å; C438-A442 PolarHBondContact O-N 3.18Å; L439-A442 PolarHBondContact O-N 3.25Å; A442-V444 PolarHBondContact O-N 3.04Å; A442-V444 VanDerWaalsContact O-N 3.11Å |
| 443 | G | 87.3 | Confident | 91 | Very high | 2 Ų | 2 | 67.4 Ų | 67.4 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -74.9 | 12.5 | -176 | 0 | 0 | 0 | 0 | 0 | 116.2 | L439 K445 E446 | L439-G443 WeakPolarHBondContact O-CA 3.48Å; L439-G443 PolarHBondContact O-N 3.42Å; G443-K445 PolarHBondContact O-N 3.01Å; G443-E446 PolarHBondContact O-N 2.98Å |
| 444 | V | 88.1 | Confident | 90.9 | Very high | 117 Ų | 117 | 62.8 Ų | 62.8 | 71% | 0.709 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -56.6 | -19.7 | -178.9 | 177.4 | 0 | 0 | 0 | 0 | 113.5 | T440 T441 A442 | T440-V444 WeakPolarHBondContact O-CG2 3.48Å; T440-V444 PolarHBondContact O-N 2.96Å; T441-V444 WeakPolarHBondContact O-CG2 3.32Å; A442-V444 PolarHBondContact O-N 3.04Å; A442-V444 VanDerWaalsContact O-N 3.11Å |
| 445 | K | 86.3 | Confident | 90.9 | Very high | 189 Ų | 189 | 62.1 Ų | 62.1 | 82% | 0.822 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -105.3 | -6.4 | 178.2 | -63.1 | -175 | 179.5 | -177.6 | 0 | 114.1 | G443 | G443-K445 PolarHBondContact O-N 3.01Š|
| 446 | E | 87.9 | Confident | 90.8 | Very high | 103 Ų | 103 | 65.7 Ų | 65.7 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -89.6 | 156.8 | -173.2 | -58 | -55.6 | 145.7 | 0 | 0 | 110.7 | I371 G443 | I371-E446 HydrophobicContact CD1-CG 4.19Å; I371-E446 HydrophobicContact CG2-CG 4.37Å; G443-E446 PolarHBondContact O-N 2.98Å |
| 447 | M | 87.1 | Confident | 90.8 | Very high | 135 Ų | 135 | 66 Ų | 66 | 67% | 0.665 | 38% | 0.377 | S | S | * | . | trans | -77.3 | 145.9 | 179.9 | -60.6 | -67.4 | -178.6 | 0 | 0 | 110.5 | D449 V450 L451 | M447-D449 WeakPolarHBondContact CB-OD1 3.07Å; M447-D449 PolarHBondContact O-N 3.25Å; M447-V450 HydrophobicContact CB-CG2 4.5Å; M447-V450 PolarHBondContact O-N 2.96Å; M447-L451 PolarHBondContact O-N 2.7Å | ||
| 448 | A | 89.2 | Confident | 90.8 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 49% | 0.488 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.5 | -25.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V450 N452 | A448-V450 VanDerWaalsContact C-N 3.29Å; A448-N452 WeakPolarHBondContact O-CB 3.38Å; A448-N452 PolarHBondContact O-N 3.19Å; A448-N452 PolarHBondContact O-ND2 2.95Å |
| 449 | D | 87.3 | Confident | 90.9 | Very high | 125 Ų | 125 | 66.9 Ų | 66.9 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -71 | -21.1 | 172.3 | 60.1 | -28.5 | 0 | 0 | 0 | 113.4 | M447 P453 | M447-D449 WeakPolarHBondContact CB-OD1 3.07Å; M447-D449 PolarHBondContact O-N 3.25Å; D449-P453 VanDerWaalsContact O-CD 3.26Å; D449-P453 WeakPolarHBondContact O-CD 3.27Å; D449-P453 VanDerWaalsContact O-CG 3.24Å; D449-P453 WeakPolarHBondContact O-CG 3.35Å |
| 450 | V | 88.5 | Confident | 91 | Very high | 66 Ų | 66 | 70.6 Ų | 70.6 | 40% | 0.4 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -89.7 | -44.6 | 171.4 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | I371 M447 A448 | I371-V450 HydrophobicContact CD1-CG1 3.71Å; M447-V450 HydrophobicContact CB-CG2 4.5Å; M447-V450 PolarHBondContact O-N 2.96Å; A448-V450 VanDerWaalsContact C-N 3.29Å |
| 451 | L | 91.1 | Very high | 91.1 | Very high | 17 Ų | 17 | 69.5 Ų | 69.5 | 9% | 0.089 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -76.8 | -41.2 | -173.7 | -178.3 | 61.1 | 0 | 0 | 0 | 113.7 | L439 M447 L454 I455 | L439-L451 HydrophobicContact CB-CD1 4.16Å; M447-L451 PolarHBondContact O-N 2.7Å; L451-L454 PolarHBondContact O-N 2.93Å; L451-I455 HydrophobicContact CD1-CD1 4.09Å; L451-I455 HydrophobicContact CD1-CG1 4.37Å; L451-I455 HydrophobicContact CD2-CD1 4.36Å; L451-I455 HydrophobicContact CG-CD1 3.85Å; L451-I455 HydrophobicContact CG-CG1 4.5Å; L451-I455 PolarHBondContact O-N 3.34Å; L451-I455 VanDerWaalsContact O-N 3.17Å |
| 452 | N | 92.4 | Very high | 91.3 | Very high | 88 Ų | 88 | 66.9 Ų | 66.9 | 47% | 0.471 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | -174.5 | -66.6 | -9.9 | 0 | 0 | 0 | 113.4 | A448 L454 I455 T456 | A448-N452 WeakPolarHBondContact O-CB 3.38Å; A448-N452 PolarHBondContact O-N 3.19Å; A448-N452 PolarHBondContact O-ND2 2.95Å; N452-L454 VanDerWaalsContact C-N 3.34Å; N452-L454 PolarHBondContact O-N 3.44Å; N452-I455 PolarHBondContact O-N 3.32Å; N452-T456 WeakPolarHBondContact O-CB 3.42Å; N452-T456 PolarHBondContact O-N 2.9Å; N452-T456 PolarHBondContact O-OG1 2.89Å |
| 453 | P | 92.8 | Very high | 91.5 | Very high | 72 Ų | 72 | 68 Ų | 68 | 47% | 0.468 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 173 | -28.1 | 37.3 | 0 | 0 | 0 | 113.4 | D449 T456 A457 | D449-P453 VanDerWaalsContact O-CD 3.26Å; D449-P453 WeakPolarHBondContact O-CD 3.27Å; D449-P453 VanDerWaalsContact O-CG 3.24Å; D449-P453 WeakPolarHBondContact O-CG 3.35Å; P453-T456 PolarHBondContact O-N 3.49Å; P453-A457 WeakPolarHBondContact O-CB 3.04Å; P453-A457 PolarHBondContact O-N 3.33Å |
| 454 | L | 93.1 | Very high | 91.7 | Very high | 31 Ų | 31 | 70.4 Ų | 70.4 | 16% | 0.162 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 178.5 | -57.3 | 179.7 | 0 | 0 | 0 | 111.6 | I371 H375 L439 L451 N452 T456 A457 V458 | I371-L454 HydrophobicContact CB-CD1 3.99Å; I371-L454 HydrophobicContact CD1-CD1 3.78Å; I371-L454 HydrophobicContact CG1-CD1 3.85Å; H375-L454 HydrophobicContact CB-CB 4.38Å; H375-L454 HydrophobicContact CB-CD1 4.41Å; H375-L454 HydrophobicContact CB-CD2 4.13Å; H375-L454 PolarHBondContact CD2-O 2.94Å; L439-L454 HydrophobicContact CD1-CB 4.31Å; L439-L454 HydrophobicContact CD2-CB 4.41Å; L439-L454 HydrophobicContact CD2-CD1 4.49Å; L451-L454 PolarHBondContact O-N 2.93Å; N452-L454 VanDerWaalsContact C-N 3.34Å; N452-L454 PolarHBondContact O-N 3.44Å; L454-T456 VanDerWaalsContact C-N 3.34Å; L454-A457 PolarHBondContact O-N 3.26Å; L454-V458 WeakPolarHBondContact O-CG2 3.48Å; L454-V458 PolarHBondContact O-N 3.06Å; L454-V458 VanDerWaalsContact O-N 3.12Å |
| 455 | I | 94 | Very high | 92.1 | Very high | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.128 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 174.8 | -68.8 | 172.5 | 0 | 0 | 0 | 110.7 | T436 L439 L451 N452 V458 F459 | T436-I455 HydrophobicContact CG2-CD1 4.32Å; T436-I455 HydrophobicContact CG2-CG1 4.31Å; T436-I455 HydrophobicContact CG2-CG2 3.68Å; L439-I455 HydrophobicContact CB-CG1 4.03Å; L439-I455 HydrophobicContact CD1-CG1 3.9Å; L451-I455 HydrophobicContact CD1-CD1 4.09Å; L451-I455 HydrophobicContact CD1-CG1 4.37Å; L451-I455 HydrophobicContact CD2-CD1 4.36Å; L451-I455 HydrophobicContact CG-CD1 3.85Å; L451-I455 HydrophobicContact CG-CG1 4.5Å; L451-I455 PolarHBondContact O-N 3.34Å; L451-I455 VanDerWaalsContact O-N 3.17Å; N452-I455 PolarHBondContact O-N 3.32Å; I455-V458 PolarHBondContact O-N 2.96Å; I455-F459 HydrophobicContact CG2-CD2 3.93Å; I455-F459 HydrophobicContact CG2-CE2 3.79Å; I455-F459 VanDerWaalsContact O-CD2 3.3Å; I455-F459 WeakPolarHBondContact O-CD2 3.11Å; I455-F459 PolarHBondContact O-N 3.38Å |
| 456 | T | 93.3 | Very high | 92.5 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 46% | 0.46 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 179.2 | -55 | 0 | 0 | 0 | 0 | 111.2 | N452 P453 L454 F459 L460 | N452-T456 WeakPolarHBondContact O-CB 3.42Å; N452-T456 PolarHBondContact O-N 2.9Å; N452-T456 PolarHBondContact O-OG1 2.89Å; P453-T456 PolarHBondContact O-N 3.49Å; L454-T456 VanDerWaalsContact C-N 3.34Å; T456-F459 PolarHBondContact O-N 2.93Å; T456-L460 HydrophobicContact CG2-CD1 4Å; T456-L460 HydrophobicContact CG2-CG 4.35Å; T456-L460 WeakPolarHBondContact O-CB 3.44Å; T456-L460 WeakPolarHBondContact O-CG 3.49Å; T456-L460 PolarHBondContact O-N 2.96Å |
| 457 | A | 94 | Very high | 92.8 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H375 P453 L454 F459 L460 E461 | H375-A457 WeakPolarHBondContact NE2-CB 3.36Å; P453-A457 WeakPolarHBondContact O-CB 3.04Å; P453-A457 PolarHBondContact O-N 3.33Å; L454-A457 PolarHBondContact O-N 3.26Å; A457-F459 PolarHBondContact O-N 3.43Å; A457-L460 PolarHBondContact O-N 3.04Å; A457-E461 WeakPolarHBondContact O-CG 3.34Å; A457-E461 PolarHBondContact O-N 3.1Å |
| 458 | V | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 175.2 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | A378 I379 L382 F435 L439 L454 I455 A462 | A378-V458 HydrophobicContact CB-CG1 4.48Å; A378-V458 HydrophobicContact CB-CG2 3.77Å; I379-V458 HydrophobicContact CD1-CG2 3.99Å; L382-V458 HydrophobicContact CD1-CG1 4.43Å; F435-V458 HydrophobicContact CB-CG1 4.11Å; L439-V458 HydrophobicContact CD1-CG2 4Å; L454-V458 WeakPolarHBondContact O-CG2 3.48Å; L454-V458 PolarHBondContact O-N 3.06Å; L454-V458 VanDerWaalsContact O-N 3.12Å; I455-V458 PolarHBondContact O-N 2.96Å; V458-A462 VanDerWaalsContact O-CB 3.28Å; V458-A462 WeakPolarHBondContact O-CB 3.42Å; V458-A462 PolarHBondContact O-N 2.93Å |
| 459 | F | 95.4 | Very high | 93.7 | Very high | 95 Ų | 95 | 48.4 Ų | 48.4 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 175.2 | -79.2 | -64.2 | 0 | 0 | 0 | 113.4 | S432 K433 T436 I455 T456 A457 A462 S463 | S432-F459 WeakPolarHBondContact OG-CD1 3.4Å; S432-F459 WeakPolarHBondContact OG-CE1 3.32Å; K433-F459 HydrophobicContact CG-CE1 4.38Å; T436-F459 HydrophobicContact CG2-CE2 3.98Å; T436-F459 HydrophobicContact CG2-CZ 4.28Å; T436-F459 VanDerWaalsContact OG1-CE2 3.25Å; T436-F459 WeakPolarHBondContact OG1-CE2 3.26Å; T436-F459 WeakPolarHBondContact OG1-CZ 3.24Å; I455-F459 HydrophobicContact CG2-CD2 3.93Å; I455-F459 HydrophobicContact CG2-CE2 3.79Å; I455-F459 VanDerWaalsContact O-CD2 3.3Å; I455-F459 WeakPolarHBondContact O-CD2 3.11Å; I455-F459 PolarHBondContact O-N 3.38Å; T456-F459 PolarHBondContact O-N 2.93Å; A457-F459 PolarHBondContact O-N 3.43Å; F459-A462 PolarHBondContact O-N 3.09Å; F459-S463 WeakPolarHBondContact O-CB 3.38Å; F459-S463 PolarHBondContact O-N 2.74Å |
| 460 | L | 94.1 | Very high | 94.1 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 41% | 0.408 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.6 | -47 | 177.1 | -74.3 | 172.2 | 0 | 0 | 0 | 111.3 | I107 T456 A457 A462 S463 N464 | I107-L460 HydrophobicContact CD1-CD2 3.98Å; T456-L460 HydrophobicContact CG2-CD1 4Å; T456-L460 HydrophobicContact CG2-CG 4.35Å; T456-L460 WeakPolarHBondContact O-CB 3.44Å; T456-L460 WeakPolarHBondContact O-CG 3.49Å; T456-L460 PolarHBondContact O-N 2.96Å; A457-L460 PolarHBondContact O-N 3.04Å; L460-A462 VanDerWaalsContact C-N 3.34Å; L460-A462 PolarHBondContact O-N 3.29Å; L460-S463 WeakPolarHBondContact O-CB 3.39Å; L460-S463 PolarHBondContact O-N 3.4Å; L460-N464 VanDerWaalsContact O-CG 3.26Å; L460-N464 PolarHBondContact O-N 2.89Å; L460-N464 PolarHBondContact O-ND2 2.86Å |
| 461 | E | 94.6 | Very high | 94.4 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.7 | -24.6 | -179.9 | -60.3 | -66.3 | -166.9 | 0 | 0 | 112.8 | Y237 I379 L382 A457 N464 S465 | Y237-E461 WeakPolarHBondContact CB-OE1 3.27Å; Y237-E461 HydrophobicContact CD2-CB 3.94Å; Y237-E461 HydrophobicContact CD2-CG 4.32Å; Y237-E461 HydrophobicContact CG-CB 4.32Å; Y237-E461 HydrophobicContact CG-CG 4.24Å; I379-E461 HydrophobicContact CD1-CB 4.11Å; I379-E461 HydrophobicContact CD1-CG 4.05Å; L382-E461 HydrophobicContact CD1-CB 4.35Å; A457-E461 WeakPolarHBondContact O-CG 3.34Å; A457-E461 PolarHBondContact O-N 3.1Å; E461-N464 PolarHBondContact OE2-ND2 3.43Å; E461-S465 WeakPolarHBondContact O-CB 3.2Å; E461-S465 PolarHBondContact O-N 3.42Å; E461-S465 PolarHBondContact O-OG 2.84Å |
| 462 | A | 95.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.8 | -36.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L382 V458 F459 L460 S465 A466 | L382-A462 HydrophobicContact CD1-CB 4.16Å; L382-A462 HydrophobicContact CD2-CB 3.96Å; V458-A462 VanDerWaalsContact O-CB 3.28Å; V458-A462 WeakPolarHBondContact O-CB 3.42Å; V458-A462 PolarHBondContact O-N 2.93Å; F459-A462 PolarHBondContact O-N 3.09Å; L460-A462 VanDerWaalsContact C-N 3.34Å; L460-A462 PolarHBondContact O-N 3.29Å; A462-S465 WeakPolarHBondContact O-CB 3.41Å; A462-S465 PolarHBondContact O-N 3.15Å; A462-A466 PolarHBondContact O-N 2.7Å |
| 463 | S | 92.8 | Very high | 94.9 | Very high | 70 Ų | 70 | 39.7 Ų | 39.7 | 49% | 0.49 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.4 | -42.7 | 173.9 | -169.9 | 0 | 0 | 0 | 0 | 112.5 | F459 L460 S465 A466 S467 | F459-S463 WeakPolarHBondContact O-CB 3.38Å; F459-S463 PolarHBondContact O-N 2.74Å; L460-S463 WeakPolarHBondContact O-CB 3.39Å; L460-S463 PolarHBondContact O-N 3.4Å; S463-S465 VanDerWaalsContact C-N 3.32Å; S463-S465 PolarHBondContact O-N 3.32Å; S463-A466 PolarHBondContact O-N 2.94Å; S463-S467 PolarHBondContact O-N 3.44Å; S463-S467 PolarHBondContact O-OG 2.72Å |
| 464 | N | 92.3 | Very high | 95.1 | Very high | 53 Ų | 53 | 39 Ų | 39 | 28% | 0.283 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 171 | -66.2 | -21.3 | 0 | 0 | 0 | 110.5 | L460 E461 A466 S467 Y468 | L460-N464 VanDerWaalsContact O-CG 3.26Å; L460-N464 PolarHBondContact O-N 2.89Å; L460-N464 PolarHBondContact O-ND2 2.86Å; E461-N464 PolarHBondContact OE2-ND2 3.43Å; N464-A466 PolarHBondContact O-N 2.84Å; N464-S467 WeakPolarHBondContact O-CB 3.31Å; N464-S467 PolarHBondContact O-N 2.91Å; N464-Y468 WeakPolarHBondContact O-CD2 3.4Å; N464-Y468 PolarHBondContact O-N 3.01Å |
| 465 | S | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.6 | -47.4 | 175.9 | -70.8 | 0 | 0 | 0 | 0 | 112.6 | Y237 T386 E461 A462 S463 S467 Y468 I469 | Y237-S465 WeakPolarHBondContact CE2-OG 3.42Å; Y237-S465 PolarHBondContact OH-OG 3.49Å; T386-S465 WeakPolarHBondContact OG1-CB 3.49Å; T386-S465 PolarHBondContact OG1-OG 3.36Å; E461-S465 WeakPolarHBondContact O-CB 3.2Å; E461-S465 PolarHBondContact O-N 3.42Å; E461-S465 PolarHBondContact O-OG 2.84Å; A462-S465 WeakPolarHBondContact O-CB 3.41Å; A462-S465 PolarHBondContact O-N 3.15Å; S463-S465 VanDerWaalsContact C-N 3.32Å; S463-S465 PolarHBondContact O-N 3.32Å; S465-S467 VanDerWaalsContact C-N 3.34Å; S465-S467 PolarHBondContact O-N 3.28Å; S465-Y468 PolarHBondContact O-N 3.24Å; S465-I469 WeakPolarHBondContact O-CG1 3.23Å; S465-I469 PolarHBondContact O-N 2.98Å; S465-I469 VanDerWaalsContact O-N 3.16Å |
| 466 | A | 95.3 | Very high | 95.5 | Very high | 16 Ų | 16 | 38.1 Ų | 38.1 | 13% | 0.132 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C425 L428 A462 S463 N464 I469 Q470 | C425-A466 HydrophobicContact CB-CB 4.5Å; L428-A466 HydrophobicContact CD1-CB 4.38Å; A462-A466 PolarHBondContact O-N 2.7Å; S463-A466 PolarHBondContact O-N 2.94Å; N464-A466 PolarHBondContact O-N 2.84Å; A466-I469 PolarHBondContact O-N 3.48Å; A466-Q470 WeakPolarHBondContact O-CG 2.96Å; A466-Q470 PolarHBondContact O-N 2.97Å |
| 467 | S | 94.1 | Very high | 95.7 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 36% | 0.357 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.7 | -46 | 176.6 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | S463 N464 S465 I469 Q470 D471 | S463-S467 PolarHBondContact O-N 3.44Å; S463-S467 PolarHBondContact O-OG 2.72Å; N464-S467 WeakPolarHBondContact O-CB 3.31Å; N464-S467 PolarHBondContact O-N 2.91Å; S465-S467 VanDerWaalsContact C-N 3.34Å; S465-S467 PolarHBondContact O-N 3.28Å; S467-I469 VanDerWaalsContact C-N 3.3Å; S467-I469 PolarHBondContact O-N 3.24Å; S467-Q470 PolarHBondContact O-N 2.92Å; S467-D471 PolarHBondContact O-N 2.89Å |
| 468 | Y | 97.1 | Very high | 95.9 | Very high | 73 Ų | 73 | 35.2 Ų | 35.2 | 29% | 0.286 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -59.2 | -36.8 | 175.9 | -82.8 | -60.3 | 0 | 0 | 0 | 113.3 | Y237 F241 L250 N464 S465 A472 | Y237-Y468 HydrophobicContact CE1-CD2 4.25Å; Y237-Y468 AromaticContact CE1-CE2 3.86Å; Y237-Y468 HydrophobicContact CE1-CE2 3.86Å; F241-Y468 HydrophobicContact CE1-CD1 4.43Å; F241-Y468 HydrophobicContact CE1-CE1 4.25Å; F241-Y468 HydrophobicContact CZ-CD1 4.36Å; F241-Y468 HydrophobicContact CZ-CG 4.38Å; L250-Y468 HydrophobicContact CD2-CD1 4.15Å; L250-Y468 HydrophobicContact CD2-CE1 4.33Å; N464-Y468 WeakPolarHBondContact O-CD2 3.4Å; N464-Y468 PolarHBondContact O-N 3.01Å; S465-Y468 PolarHBondContact O-N 3.24Å; Y468-A472 VanDerWaalsContact O-CB 3.26Å; Y468-A472 WeakPolarHBondContact O-CB 3.27Å; Y468-A472 PolarHBondContact O-N 3.34Å; Y468-A472 VanDerWaalsContact O-N 3.1Å |
| 469 | I | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71.2 | -42.2 | 175.8 | -65.6 | -178.3 | 0 | 0 | 0 | 110.6 | T386 S389 F393 T421 L424 L428 S465 A466 S467 A472 F473 | T386-I469 HydrophobicContact CG2-CG1 4.12Å; S389-I469 VanDerWaalsContact CB-CD1 3.48Å; S389-I469 WeakPolarHBondContact OG-CD1 3.46Å; F393-I469 HydrophobicContact CE2-CG2 3.79Å; F393-I469 WeakPolarHBondContact CE2-O 3.46Å; F393-I469 HydrophobicContact CZ-CG2 4.28Å; T421-I469 HydrophobicContact CG2-CG2 3.91Å; L424-I469 HydrophobicContact CB-CD1 4.06Å; L424-I469 HydrophobicContact CB-CG2 4.16Å; L424-I469 HydrophobicContact CD1-CG2 4.13Å; L428-I469 HydrophobicContact CD1-CD1 3.57Å; L428-I469 HydrophobicContact CG-CD1 4.5Å; S465-I469 WeakPolarHBondContact O-CG1 3.23Å; S465-I469 PolarHBondContact O-N 2.98Å; S465-I469 VanDerWaalsContact O-N 3.16Å; A466-I469 PolarHBondContact O-N 3.48Å; S467-I469 VanDerWaalsContact C-N 3.3Å; S467-I469 PolarHBondContact O-N 3.24Å; I469-A472 PolarHBondContact O-N 2.92Å; I469-F473 PolarHBondContact O-N 3.48Å |
| 470 | Q | 95.6 | Very high | 95.9 | Very high | 47 Ų | 47 | 30.9 Ų | 30.9 | 22% | 0.22 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.4 | -72 | 174.9 | 0.1 | 0 | 0 | 112.4 | L292 F295 T421 A466 S467 A472 F473 Q474 | L292-Q470 HydrophobicContact CD2-CB 4.29Å; L292-Q470 HydrophobicContact CD2-CG 4.23Å; F295-Q470 HydrophobicContact CD1-CG 4.33Å; T421-Q470 HydrophobicContact CG2-CG 4.22Å; A466-Q470 WeakPolarHBondContact O-CG 2.96Å; A466-Q470 PolarHBondContact O-N 2.97Å; S467-Q470 PolarHBondContact O-N 2.92Å; Q470-A472 PolarHBondContact O-N 2.9Å; Q470-F473 WeakPolarHBondContact O-CB 3.24Å; Q470-F473 PolarHBondContact O-N 3.45Å; Q470-Q474 WeakPolarHBondContact O-CG 3.48Å; Q470-Q474 PolarHBondContact O-N 2.97Å |
| 471 | D | 95 | Very high | 96 | Very high | 66 Ų | 66 | 28.5 Ų | 28.5 | 35% | 0.353 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.4 | -43.6 | 175 | -78.4 | -24.4 | 0 | 0 | 0 | 111.4 | S467 F473 Q474 L475 | S467-D471 PolarHBondContact O-N 2.89Å; D471-F473 VanDerWaalsContact C-N 3.31Å; D471-F473 PolarHBondContact O-N 3.16Å; D471-Q474 PolarHBondContact O-N 3.33Å; D471-L475 WeakPolarHBondContact O-CG 3.46Å; D471-L475 PolarHBondContact O-N 2.55Å |
| 472 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -33.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L250 L253 I390 F393 Y468 I469 Q470 | L250-A472 HydrophobicContact CD1-CB 3.99Å; L253-A472 HydrophobicContact CD2-CB 3.98Å; L253-A472 WeakPolarHBondContact CD2-O 3.36Å; I390-A472 HydrophobicContact CB-CB 4.45Å; I390-A472 HydrophobicContact CG1-CB 3.82Å; I390-A472 HydrophobicContact CG2-CB 4.14Å; F393-A472 HydrophobicContact CD2-CB 3.85Å; Y468-A472 VanDerWaalsContact O-CB 3.26Å; Y468-A472 WeakPolarHBondContact O-CB 3.27Å; Y468-A472 PolarHBondContact O-N 3.34Å; Y468-A472 VanDerWaalsContact O-N 3.1Å; I469-A472 PolarHBondContact O-N 2.92Å; Q470-A472 PolarHBondContact O-N 2.9Å |
| 473 | F | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | 169.9 | 167.5 | -117.7 | 0 | 0 | 0 | 111.3 | F290 F295 F393 L417 T421 I469 Q470 D471 L475 L476 | F290-F473 HydrophobicContact CB-CE1 4.41Å; F290-F473 HydrophobicContact CB-CZ 4.42Å; F290-F473 HydrophobicContact CD1-CD1 4.1Å; F290-F473 HydrophobicContact CD1-CD2 4.12Å; F290-F473 AromaticContact CD1-CE1 3.6Å; F290-F473 HydrophobicContact CD1-CE1 3.6Å; F290-F473 AromaticContact CD1-CE2 3.6Å; F290-F473 HydrophobicContact CD1-CE2 3.6Å; F290-F473 HydrophobicContact CD1-CG 4.34Å; F290-F473 AromaticContact CD1-CZ 3.32Å; F290-F473 HydrophobicContact CD1-CZ 3.32Å; F290-F473 AromaticContact CE1-CD2 3.8Å; F290-F473 HydrophobicContact CE1-CD2 3.8Å; F290-F473 HydrophobicContact CE1-CE1 4.25Å; F290-F473 AromaticContact CE1-CE2 3.38Å; F290-F473 HydrophobicContact CE1-CE2 3.38Å; F290-F473 HydrophobicContact CE1-CG 4.37Å; F290-F473 AromaticContact CE1-CZ 3.65Å; F290-F473 HydrophobicContact CE1-CZ 3.65Å; F290-F473 WeakPolarHBondContact CE1-O 3.43Å; F290-F473 HydrophobicContact CG-CE1 4.29Å; F290-F473 AromaticContact CG-CZ 3.95Å; F290-F473 HydrophobicContact CG-CZ 3.95Å; F290-F473 HydrophobicContact CZ-CE2 4.17Å; F295-F473 HydrophobicContact CE2-CE1 4.29Å; F295-F473 HydrophobicContact CZ-CD1 4.26Å; F295-F473 HydrophobicContact CZ-CE1 4.07Å; F393-F473 HydrophobicContact CD2-CB 4.36Å; F393-F473 HydrophobicContact CE2-CB 3.89Å; F393-F473 HydrophobicContact CZ-CB 4.39Å; L417-F473 HydrophobicContact CB-CD2 4.01Å; L417-F473 HydrophobicContact CB-CE2 3.68Å; T421-F473 HydrophobicContact CG2-CB 3.79Å; T421-F473 HydrophobicContact CG2-CD1 4.17Å; T421-F473 HydrophobicContact CG2-CG 4.06Å; T421-F473 WeakPolarHBondContact OG1-CB 3.43Å; T421-F473 WeakPolarHBondContact OG1-CD2 3.45Å; T421-F473 WeakPolarHBondContact OG1-CG 3.36Å; I469-F473 PolarHBondContact O-N 3.48Å; Q470-F473 WeakPolarHBondContact O-CB 3.24Å; Q470-F473 PolarHBondContact O-N 3.45Å; D471-F473 VanDerWaalsContact C-N 3.31Å; D471-F473 PolarHBondContact O-N 3.16Å; F473-L475 PolarHBondContact O-N 2.91Å; F473-L476 HydrophobicContact CD2-CD1 4.28Å; F473-L476 VanDerWaalsContact O-CB 3.24Å; F473-L476 WeakPolarHBondContact O-CB 3.31Å; F473-L476 PolarHBondContact O-N 3Å |
| 474 | Q | 96.3 | Very high | 95.8 | Very high | 59 Ų | 59 | 24 Ų | 24 | 28% | 0.276 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -58.5 | -34.1 | 178.2 | -66.5 | -63.7 | -38.7 | 0 | 0 | 112.9 | F290 Q470 D471 L476 L477 | F290-Q474 PolarHBondContact O-NE2 3.19Å; Q470-Q474 WeakPolarHBondContact O-CG 3.48Å; Q470-Q474 PolarHBondContact O-N 2.97Å; D471-Q474 PolarHBondContact O-N 3.33Å; Q474-L476 PolarHBondContact O-N 2.96Å; Q474-L477 PolarHBondContact O-N 3.49Å |
| 475 | L | 97.9 | Very high | 95.8 | Very high | 35 Ų | 35 | 21.6 Ų | 21.6 | 18% | 0.183 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17.1 | 174.1 | -69.5 | 174.4 | 0 | 0 | 0 | 113.9 | L250 L253 E254 S257 D471 F473 | L250-L475 HydrophobicContact CD1-CD1 3.92Å; L253-L475 HydrophobicContact CD1-CB 4.35Å; L253-L475 HydrophobicContact CD2-CB 4.22Å; L253-L475 HydrophobicContact CD2-CD1 4.44Å; L253-L475 HydrophobicContact CG-CB 3.85Å; L253-L475 HydrophobicContact CG-CD1 4.11Å; E254-L475 HydrophobicContact CB-CD1 4.06Å; E254-L475 HydrophobicContact CB-CD2 4.43Å; E254-L475 HydrophobicContact CG-CD1 4.37Å; E254-L475 HydrophobicContact CG-CD2 4.02Å; S257-L475 WeakPolarHBondContact CB-O 3.46Å; S257-L475 PolarHBondContact OG-O 3.22Å; D471-L475 WeakPolarHBondContact O-CG 3.46Å; D471-L475 PolarHBondContact O-N 2.55Å; F473-L475 PolarHBondContact O-N 2.91Å |
| 476 | L | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -20.2 | 175.9 | -59.6 | 173 | 0 | 0 | 0 | 113.7 | L253 F290 F393 A397 L417 F473 Q474 V479 L480 | L253-L476 HydrophobicContact CD1-CD2 3.76Å; F290-L476 HydrophobicContact CE1-CB 4.12Å; F290-L476 HydrophobicContact CZ-CB 4.25Å; F393-L476 HydrophobicContact CB-CD1 3.9Å; F393-L476 HydrophobicContact CB-CD2 4.12Å; F393-L476 HydrophobicContact CB-CG 4.26Å; F393-L476 HydrophobicContact CD1-CD1 3.86Å; F393-L476 HydrophobicContact CG-CD1 3.86Å; F393-L476 WeakPolarHBondContact O-CD2 3.49Å; A397-L476 HydrophobicContact CB-CD2 3.78Å; L417-L476 HydrophobicContact CD1-CD1 3.75Å; L417-L476 HydrophobicContact CD2-CD1 3.82Å; L417-L476 HydrophobicContact CG-CD1 4.24Å; F473-L476 HydrophobicContact CD2-CD1 4.28Å; F473-L476 VanDerWaalsContact O-CB 3.24Å; F473-L476 WeakPolarHBondContact O-CB 3.31Å; F473-L476 PolarHBondContact O-N 3Å; Q474-L476 PolarHBondContact O-N 2.96Å; L476-V479 WeakPolarHBondContact O-CB 3.42Å; L476-V479 PolarHBondContact O-N 2.95Å; L476-L480 PolarHBondContact O-N 3.34Å |
| 477 | L | 97.2 | Very high | 94.9 | Very high | 24 Ų | 24 | 27.8 Ų | 27.8 | 13% | 0.126 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.5 | -56.8 | -175 | 167 | 62.5 | 0 | 0 | 0 | 112.1 | L286 K287 F290 Q474 V479 L480 E481 | L286-L477 HydrophobicContact CD2-CD1 4.46Å; L286-L477 HydrophobicContact CG-CD1 4.4Å; K287-L477 HydrophobicContact CB-CD1 4.07Å; K287-L477 HydrophobicContact CB-CD2 4.31Å; K287-L477 HydrophobicContact CD-CD2 4.14Å; K287-L477 HydrophobicContact CG-CD2 4.07Å; F290-L477 HydrophobicContact CD1-CB 4.08Å; F290-L477 HydrophobicContact CD2-CB 4.01Å; F290-L477 HydrophobicContact CD2-CD1 3.71Å; F290-L477 HydrophobicContact CD2-CG 4.31Å; F290-L477 HydrophobicContact CE1-CB 3.98Å; F290-L477 HydrophobicContact CE2-CB 3.88Å; F290-L477 HydrophobicContact CE2-CD1 3.73Å; F290-L477 HydrophobicContact CE2-CG 4.39Å; F290-L477 HydrophobicContact CG-CB 4.09Å; F290-L477 HydrophobicContact CG-CD1 4.48Å; F290-L477 HydrophobicContact CZ-CB 3.86Å; Q474-L477 PolarHBondContact O-N 3.49Å; L477-V479 PolarHBondContact O-N 3.49Å; L477-V479 VanDerWaalsContact O-N 3.08Å; L477-L480 PolarHBondContact O-N 3.23Å; L477-E481 HydrophobicContact CD1-CG 3.91Å; L477-E481 HydrophobicContact CG-CG 4.41Å; L477-E481 WeakPolarHBondContact O-CG 3.29Å; L477-E481 PolarHBondContact O-N 2.92Å |
| 478 | P | 97.3 | Very high | 94.4 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 11% | 0.11 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.2 | -26.3 | 178 | -25.6 | 35.9 | 0 | 0 | 0 | 114.4 | S260 E261 I482 | S260-P478 VanDerWaalsContact CB-O 3.28Å; S260-P478 WeakPolarHBondContact CB-O 3.26Å; E261-P478 HydrophobicContact CB-CB 3.93Å; E261-P478 HydrophobicContact CB-CG 4.16Å; E261-P478 HydrophobicContact CG-CB 4.47Å; E261-P478 HydrophobicContact CG-CG 4.33Å; P478-I482 PolarHBondContact O-N 3.35Å |
| 479 | V | 96.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.9 | -41.2 | 177.5 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | A397 V400 L401 L476 L477 I482 S483 | A397-V479 HydrophobicContact CB-CB 4.48Å; A397-V479 HydrophobicContact CB-CG1 3.96Å; A397-V479 HydrophobicContact CB-CG2 4.19Å; V400-V479 HydrophobicContact CB-CG1 4.45Å; V400-V479 HydrophobicContact CG1-CG1 4.19Å; L401-V479 HydrophobicContact CD1-CG1 3.97Å; L401-V479 HydrophobicContact CD1-CG2 4.31Å; L401-V479 HydrophobicContact CD2-CG1 3.96Å; L401-V479 HydrophobicContact CG-CG1 3.67Å; L476-V479 WeakPolarHBondContact O-CB 3.42Å; L476-V479 PolarHBondContact O-N 2.95Å; L477-V479 PolarHBondContact O-N 3.49Å; L477-V479 VanDerWaalsContact O-N 3.08Å; V479-I482 PolarHBondContact O-N 2.83Å; V479-S483 PolarHBondContact O-N 2.89Å; V479-S483 VanDerWaalsContact O-N 3.16Å |
| 480 | L | 95.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.1 | -33.5 | 173.7 | -59.8 | -170.7 | 0 | 0 | 0 | 112 | L286 F290 V400 R413 L417 L476 L477 I482 S483 L484 | L286-L480 HydrophobicContact CD1-CB 4.17Å; L286-L480 HydrophobicContact CD1-CD1 4.47Å; L286-L480 HydrophobicContact CD2-CB 3.94Å; L286-L480 HydrophobicContact CG-CB 4.48Å; F290-L480 HydrophobicContact CE2-CD1 4.03Å; F290-L480 HydrophobicContact CZ-CD1 3.72Å; F290-L480 HydrophobicContact CZ-CG 4.42Å; V400-L480 HydrophobicContact CG1-CD2 4.1Å; V400-L480 HydrophobicContact CG2-CD2 4.44Å; R413-L480 HydrophobicContact CB-CD1 4.48Å; R413-L480 HydrophobicContact CB-CD2 4.42Å; L417-L480 HydrophobicContact CD1-CD1 3.99Å; L417-L480 HydrophobicContact CD1-CD2 4.47Å; L476-L480 PolarHBondContact O-N 3.34Å; L477-L480 PolarHBondContact O-N 3.23Å; L480-I482 VanDerWaalsContact C-N 3.31Å; L480-I482 PolarHBondContact O-N 2.7Å; L480-S483 PolarHBondContact O-N 2.91Å; L480-S483 VanDerWaalsContact O-N 3.15Å; L480-L484 WeakPolarHBondContact O-CB 3.44Å; L480-L484 PolarHBondContact O-N 3.38Å |
| 481 | E | 95.8 | Very high | 91.6 | Very high | 29 Ų | 29 | 31.5 Ų | 31.5 | 14% | 0.136 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.6 | -43.7 | 172.6 | -69.7 | -175.7 | 145.5 | 0 | 0 | 111.1 | V264 L283 L286 L477 L484 I485 | V264-E481 HydrophobicContact CG2-CB 3.64Å; L283-E481 HydrophobicContact CD2-CB 3.67Å; L283-E481 HydrophobicContact CD2-CG 3.65Å; L286-E481 HydrophobicContact CD2-CB 4.36Å; L286-E481 HydrophobicContact CD2-CG 3.91Å; L477-E481 HydrophobicContact CD1-CG 3.91Å; L477-E481 HydrophobicContact CG-CG 4.41Å; L477-E481 WeakPolarHBondContact O-CG 3.29Å; L477-E481 PolarHBondContact O-N 2.92Å; E481-L484 PolarHBondContact O-N 3.32Å; E481-I485 WeakPolarHBondContact O-CD1 3.46Å; E481-I485 VanDerWaalsContact O-CG1 3.26Å; E481-I485 WeakPolarHBondContact O-CG1 3.22Å; E481-I485 PolarHBondContact O-N 3.48Å |
| 482 | I | 94.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 172.5 | -71.5 | -60.9 | 0 | 0 | 0 | 112 | K263 V264 L401 P478 V479 L480 L484 I485 E486 | K263-I482 HydrophobicContact CB-CD1 3.44Å; K263-I482 VanDerWaalsContact CB-CD1 3.44Å; K263-I482 HydrophobicContact CB-CG1 4.29Å; K263-I482 HydrophobicContact CD-CD1 4.42Å; V264-I482 HydrophobicContact CB-CD1 4.43Å; V264-I482 HydrophobicContact CG2-CD1 3.53Å; V264-I482 HydrophobicContact CG2-CG1 3.73Å; L401-I482 HydrophobicContact CD2-CB 4.23Å; L401-I482 HydrophobicContact CD2-CG2 3.82Å; P478-I482 PolarHBondContact O-N 3.35Å; V479-I482 PolarHBondContact O-N 2.83Å; L480-I482 VanDerWaalsContact C-N 3.31Å; L480-I482 PolarHBondContact O-N 2.7Å; I482-L484 VanDerWaalsContact C-N 3.27Å; I482-L484 PolarHBondContact O-N 3.11Å; I482-I485 PolarHBondContact O-N 3.2Å; I482-E486 HydrophobicContact CG2-CG 4.08Å; I482-E486 WeakPolarHBondContact O-CB 3.31Å; I482-E486 WeakPolarHBondContact O-CG 3.33Å; I482-E486 PolarHBondContact O-N 3.49Å |
| 483 | S | 92.2 | Very high | 89 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 178.2 | -159.7 | 0 | 0 | 0 | 0 | 112.1 | Q406 V479 L480 N487 | Q406-S483 PolarHBondContact NE2-OG 3.02Å; V479-S483 PolarHBondContact O-N 2.89Å; V479-S483 VanDerWaalsContact O-N 3.16Å; L480-S483 PolarHBondContact O-N 2.91Å; L480-S483 VanDerWaalsContact O-N 3.15Å; S483-N487 WeakPolarHBondContact O-CB 3.34Å; S483-N487 PolarHBondContact O-N 2.84Å; S483-N487 PolarHBondContact O-ND2 2.94Å |
| 484 | L | 92.5 | Very high | 87.4 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -51.4 | 173.9 | -169.8 | 156.7 | 0 | 0 | 0 | 111 | L279 E282 L286 A410 L480 E481 I482 N487 K488 | L279-L484 HydrophobicContact CD1-CD2 3.68Å; E282-L484 HydrophobicContact CB-CD1 4.22Å; E282-L484 HydrophobicContact CB-CD2 4.08Å; L286-L484 HydrophobicContact CB-CD1 4.15Å; L286-L484 HydrophobicContact CD2-CB 4.48Å; L286-L484 HydrophobicContact CD2-CD1 4.01Å; A410-L484 HydrophobicContact CB-CB 3.76Å; A410-L484 HydrophobicContact CB-CD1 4.37Å; A410-L484 HydrophobicContact CB-CG 4.39Å; L480-L484 WeakPolarHBondContact O-CB 3.44Å; L480-L484 PolarHBondContact O-N 3.38Å; E481-L484 PolarHBondContact O-N 3.32Å; I482-L484 VanDerWaalsContact C-N 3.27Å; I482-L484 PolarHBondContact O-N 3.11Å; L484-N487 PolarHBondContact O-N 3.32Å; L484-K488 PolarHBondContact O-N 3.04Å; L484-K488 VanDerWaalsContact O-N 3.14Å |
| 485 | I | 92.3 | Very high | 85.9 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | -178.7 | -70.7 | 165.8 | 0 | 0 | 0 | 111.8 | V264 I267 L279 L283 E481 I482 K488 I489 | V264-I485 HydrophobicContact CB-CD1 4.46Å; V264-I485 HydrophobicContact CG1-CD1 4.15Å; V264-I485 HydrophobicContact CG2-CD1 4.17Å; I267-I485 HydrophobicContact CD1-CG2 3.67Å; I267-I485 HydrophobicContact CG2-CG2 3.95Å; L279-I485 HydrophobicContact CD1-CG1 3.74Å; L279-I485 HydrophobicContact CD2-CD1 4.31Å; L279-I485 HydrophobicContact CD2-CG1 4.02Å; L279-I485 HydrophobicContact CG-CG1 4.46Å; L283-I485 HydrophobicContact CD2-CD1 4.42Å; E481-I485 WeakPolarHBondContact O-CD1 3.46Å; E481-I485 VanDerWaalsContact O-CG1 3.26Å; E481-I485 WeakPolarHBondContact O-CG1 3.22Å; E481-I485 PolarHBondContact O-N 3.48Å; I482-I485 PolarHBondContact O-N 3.2Å; I485-K488 PolarHBondContact O-N 3.17Å; I485-I489 HydrophobicContact CG2-CD1 3.66Å; I485-I489 HydrophobicContact CG2-CG1 4.47Å; I485-I489 VanDerWaalsContact O-CG1 3.31Å; I485-I489 WeakPolarHBondContact O-CG1 3.4Å; I485-I489 PolarHBondContact O-N 3.18Å |
| 486 | E | 88.1 | Confident | 84.1 | Confident | 95 Ų | 95 | 50.8 Ų | 50.8 | 44% | 0.444 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.2 | -39 | -177.5 | -71.7 | -174.4 | 157.9 | 0 | 0 | 112.3 | I482 K488 I489 E490 | I482-E486 HydrophobicContact CG2-CG 4.08Å; I482-E486 WeakPolarHBondContact O-CB 3.31Å; I482-E486 WeakPolarHBondContact O-CG 3.33Å; I482-E486 PolarHBondContact O-N 3.49Å; E486-K488 PolarHBondContact O-N 3.15Å; E486-I489 PolarHBondContact O-N 2.6Å; E486-E490 PolarHBondContact O-N 3.19Å |
| 487 | N | 84.8 | Confident | 82.3 | Confident | 51 Ų | 51 | 57.6 Ų | 57.6 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 172.6 | -79.5 | -60 | 0 | 0 | 0 | 111.8 | Q406 S483 L484 I489 E490 S491 | Q406-N487 WeakPolarHBondContact CB-OD1 3.19Å; S483-N487 WeakPolarHBondContact O-CB 3.34Å; S483-N487 PolarHBondContact O-N 2.84Å; S483-N487 PolarHBondContact O-ND2 2.94Å; L484-N487 PolarHBondContact O-N 3.32Å; N487-I489 PolarHBondContact O-N 3.4Å; N487-E490 PolarHBondContact O-N 3.09Å; N487-S491 PolarHBondContact O-N 3.16Å |
| 488 | K | 84.3 | Confident | 80.2 | Confident | 47 Ų | 47 | 59.6 Ų | 59.6 | 20% | 0.204 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 176.2 | -163.6 | 171.7 | -168 | 170.6 | 0 | 111.8 | E282 L484 I485 E486 S491 H492 | E282-K488 IonicContact OE1-NZ 2.63Å; E282-K488 PolarHBondContact OE1-NZ 3.27Å; E282-K488 WeakPolarHBondContact OE2-CD 3.14Å; E282-K488 WeakPolarHBondContact OE2-CE 3.28Å; E282-K488 IonicContact OE2-NZ 3.73Å; E282-K488 PolarHBondContact OE2-NZ 3.49Å; L484-K488 PolarHBondContact O-N 3.04Å; L484-K488 VanDerWaalsContact O-N 3.14Å; I485-K488 PolarHBondContact O-N 3.17Å; E486-K488 PolarHBondContact O-N 3.15Å; K488-S491 PolarHBondContact O-N 2.89Å; K488-H492 PolarHBondContact O-CD2 3.34Å; K488-H492 PolarHBondContact O-N 3.36Å; K488-H492 VanDerWaalsContact O-N 3.09Å |
| 489 | I | 81.9 | Confident | 78.1 | Confident | 73 Ų | 73 | 66 Ų | 66 | 37% | 0.374 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -70.8 | -29.1 | 177.6 | -62.3 | 167.1 | 0 | 0 | 0 | 112.3 | I485 E486 N487 R493 | I485-I489 HydrophobicContact CG2-CD1 3.66Å; I485-I489 HydrophobicContact CG2-CG1 4.47Å; I485-I489 VanDerWaalsContact O-CG1 3.31Å; I485-I489 WeakPolarHBondContact O-CG1 3.4Å; I485-I489 PolarHBondContact O-N 3.18Å; E486-I489 PolarHBondContact O-N 2.6Å; N487-I489 PolarHBondContact O-N 3.4Å; I489-R493 WeakPolarHBondContact O-CG 3.33Å; I489-R493 PolarHBondContact O-N 3.24Å; I489-R493 PolarHBondContact O-NE 3.34Å |
| 490 | E | 76.2 | Confident | 75.7 | Confident | 71 Ų | 71 | 73.9 Ų | 73.9 | 33% | 0.332 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -73.3 | -41 | 170.6 | -169.3 | 171.7 | -124.8 | 0 | 0 | 111.8 | E486 N487 R493 H494 | E486-E490 PolarHBondContact O-N 3.19Å; N487-E490 PolarHBondContact O-N 3.09Å; E490-R493 PolarHBondContact O-N 3.22Å; E490-H494 PolarHBondContact O-CD2 3.19Å; E490-H494 PolarHBondContact O-N 3.28Å |
| 491 | S | 71.8 | Confident | 73.4 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 41% | 0.406 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.1 | -53 | 177.1 | -164.4 | 0 | 0 | 0 | 0 | 112 | N487 K488 R493 H494 E495 | N487-S491 PolarHBondContact O-N 3.16Å; K488-S491 PolarHBondContact O-N 2.89Å; S491-R493 VanDerWaalsContact C-N 3.26Å; S491-R493 PolarHBondContact O-N 3.41Å; S491-H494 WeakPolarHBondContact O-CA 3.44Å; S491-H494 WeakPolarHBondContact O-CB 3.27Å; S491-H494 PolarHBondContact O-N 3.07Å; S491-E495 WeakPolarHBondContact O-CG 3.36Å; S491-E495 PolarHBondContact O-N 3.13Å |
| 492 | H | 69.4 | Low | 71.1 | Confident | 86 Ų | 86 | 85.7 Ų | 85.7 | 40% | 0.398 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.9 | -32.2 | 179 | -68 | -41.2 | 0 | 0 | 0 | 113.2 | K488 E495 L496 | K488-H492 PolarHBondContact O-CD2 3.34Å; K488-H492 PolarHBondContact O-N 3.36Å; K488-H492 VanDerWaalsContact O-N 3.09Å; H492-E495 WeakPolarHBondContact CA-OE2 3.31Å; H492-E495 IonicContact CE1-OE2 2.69Å; H492-E495 IonicContact CG-OE2 2.77Å; H492-E495 IonicContact ND1-OE2 3.68Å; H492-E495 PolarHBondContact ND1-OE2 3.21Å; H492-L496 WeakPolarHBondContact O-CB 3.49Å; H492-L496 VanDerWaalsContact O-CG 3.28Å; H492-L496 WeakPolarHBondContact O-CG 2.75Å; H492-L496 PolarHBondContact O-N 3.01Å |
| 493 | R | 68.8 | Low | 69 | Low | 152 Ų | 152 | 92.6 Ų | 92.6 | 57% | 0.574 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.8 | -39.9 | 172 | -80.9 | -176.9 | -73.1 | 179.4 | 0.2 | 112.1 | I489 E490 S491 Q497 | I489-R493 WeakPolarHBondContact O-CG 3.33Å; I489-R493 PolarHBondContact O-N 3.24Å; I489-R493 PolarHBondContact O-NE 3.34Å; E490-R493 PolarHBondContact O-N 3.22Å; S491-R493 VanDerWaalsContact C-N 3.26Å; S491-R493 PolarHBondContact O-N 3.41Å; R493-Q497 WeakPolarHBondContact O-CB 3.16Å; R493-Q497 PolarHBondContact O-N 3.26Å; R493-Q497 VanDerWaalsContact O-N 3.08Å |
| 494 | H | 63.8 | Low | 67 | Low | 102 Ų | 102 | 101 Ų | 101 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 174.2 | -81.7 | -56.4 | 0 | 0 | 0 | 112.9 | K405 E490 S491 Q497 G498 | K405-H494 PolarHBondContact NZ-NE2 2.55Å; K405-H494 VanDerWaalsContact NZ-NE2 3.18Å; E490-H494 PolarHBondContact O-CD2 3.19Å; E490-H494 PolarHBondContact O-N 3.28Å; S491-H494 WeakPolarHBondContact O-CA 3.44Å; S491-H494 WeakPolarHBondContact O-CB 3.27Å; S491-H494 PolarHBondContact O-N 3.07Å; H494-Q497 PolarHBondContact O-N 3.3Å; H494-G498 PolarHBondContact O-N 2.82Å |
| 495 | E | 63.8 | Low | 64.5 | Low | 98 Ų | 98 | 112.5 Ų | 112.5 | 46% | 0.458 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.5 | -52.8 | 176 | -70.1 | 168.4 | 164 | 0 | 0 | 111.5 | S491 H492 Q497 G498 Q499 | S491-E495 WeakPolarHBondContact O-CG 3.36Å; S491-E495 PolarHBondContact O-N 3.13Å; H492-E495 WeakPolarHBondContact CA-OE2 3.31Å; H492-E495 IonicContact CE1-OE2 2.69Å; H492-E495 IonicContact CG-OE2 2.77Å; H492-E495 IonicContact ND1-OE2 3.68Å; H492-E495 PolarHBondContact ND1-OE2 3.21Å; E495-Q497 PolarHBondContact O-N 2.92Å; E495-G498 PolarHBondContact O-N 3.08Å; E495-Q499 WeakPolarHBondContact O-CG 3.48Å; E495-Q499 PolarHBondContact O-N 2.96Å |
| 496 | L | 60.5 | Low | 63.1 | Low | 126 Ų | 126 | 118 Ų | 118 | 66% | 0.66 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.4 | -32.4 | 178 | -70.7 | 169 | 0 | 0 | 0 | 112.7 | H492 | H492-L496 WeakPolarHBondContact O-CB 3.49Å; H492-L496 VanDerWaalsContact O-CG 3.28Å; H492-L496 WeakPolarHBondContact O-CG 2.75Å; H492-L496 PolarHBondContact O-N 3.01Å |
| 497 | Q | 59.4 | Low | 61.8 | Low | 145 Ų | 145 | 119.2 Ų | 119.2 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -81.8 | -27.7 | 179.4 | -164.9 | 159.6 | -1.8 | 0 | 0 | 112.8 | R493 H494 E495 | R493-Q497 WeakPolarHBondContact O-CB 3.16Å; R493-Q497 PolarHBondContact O-N 3.26Å; R493-Q497 VanDerWaalsContact O-N 3.08Å; H494-Q497 PolarHBondContact O-N 3.3Å; E495-Q497 PolarHBondContact O-N 2.92Å |
| 498 | G | 54.8 | Low | 60.5 | Low | 66 Ų | 66 | 122.9 Ų | 122.9 | 68% | 0.68 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.6 | -24.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | H494 E495 K500 | H494-G498 PolarHBondContact O-N 2.82Å; E495-G498 PolarHBondContact O-N 3.08Å; G498-K500 VanDerWaalsContact C-N 3.29Å; G498-K500 PolarHBondContact O-N 3.23Å |
| 499 | Q | 53 | Low | 59.1 | Low | 152 Ų | 152 | 127.4 Ų | 127.4 | 71% | 0.71 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 2.6 | 176.6 | -73.2 | -175.5 | 15 | 0 | 0 | 114.8 | E495 P501 | E495-Q499 WeakPolarHBondContact O-CG 3.48Å; E495-Q499 PolarHBondContact O-N 2.96Å; Q499-P501 WeakPolarHBondContact O-CD 3.28Å |
| 500 | K | 45.4 | Very low | 57.7 | Low | 167 Ų | 167 | 130.8 Ų | 130.8 | 73% | 0.726 | 66% | 0.657 | S | S | * | * | trans | -64.6 | 119 | 170.6 | -90.2 | -169.9 | 171.9 | -174.9 | 0 | 110.1 | G498 | G498-K500 VanDerWaalsContact C-N 3.29Å; G498-K500 PolarHBondContact O-N 3.23Å | ||
| 501 | P | 47.1 | Very low | 56.4 | Low | 95 Ų | 95 | 134.8 Ų | 134.8 | 62% | 0.617 | 68% | 0.678 | S | S | * | * | trans | -67.4 | 142.4 | 178 | 28.6 | -34.7 | 0 | 0 | 0 | 110.8 | Q499 L503 | Q499-P501 WeakPolarHBondContact O-CD 3.28Å; P501-L503 HydrophobicContact CB-CD1 4.29Å; P501-L503 HydrophobicContact CB-CG 4.33Å; P501-L503 HydrophobicContact CG-CD1 4.05Å; P501-L503 HydrophobicContact CG-CG 4.49Å; P501-L503 PolarHBondContact O-N 3.04Å | ||
| 502 | L | 48.7 | Very low | 55.3 | Low | 185 Ų | 185 | 140.3 Ų | 140.3 | 97% | 0.969 | 70% | 0.698 | S | S | * | * | trans | -71.9 | 73.2 | 167.5 | -76.6 | 167.3 | 0 | 0 | 0 | 110.1 | ||||
| 503 | L | 50.7 | Low | 54.3 | Low | 146 Ų | 146 | 144.5 Ų | 144.5 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | -103.8 | 68.9 | 171 | -83 | 169.6 | 0 | 0 | 0 | 109.9 | P501 | P501-L503 HydrophobicContact CB-CD1 4.29Å; P501-L503 HydrophobicContact CB-CG 4.33Å; P501-L503 HydrophobicContact CG-CD1 4.05Å; P501-L503 HydrophobicContact CG-CG 4.49Å; P501-L503 PolarHBondContact O-N 3.04Å | ||
| 504 | E | 49 | Very low | 53 | Low | 181 Ų | 181 | 143.8 Ų | 143.8 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | 174 | 90 | 148.3 | -100.3 | 170.1 | -170.4 | 0 | 0 | 110.2 | ||||
| 505 | H | 40.3 | Very low | 52.1 | Low | 263 Ų | 263 | 147.6 Ų | 147.6 | 100% | 1.218 | 76% | 0.757 | S | S | * | * | -167.5 | 0 | 117.3 | -110.4 | -57 | 0 | 0 | 0 | 114.1 |
Retrieved 505 of 505 residues in 82.3 ms
(Link to these results)