| 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 | 34.7 | Very low | 37.6 | Very low | 241 Ų | 241 | 145.7 Ų | 145.7 | 100% | 1.187 | 76% | 0.764 | S | S | * | * | 0 | 101.7 | 0 | -174.6 | 173.2 | -173.1 | 0 | 0 | 105.6 | |||||
| 2 | A | 34.3 | Very low | 37 | Very low | 92 Ų | 92 | 141.7 Ų | 141.7 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | 60.6 | 126 | -160.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 3 | D | 38.4 | Very low | 36.9 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | cis | 91.8 | 125.4 | 13.1 | -72.3 | -65.5 | 0 | 0 | 0 | 119.4 | ||||
| 4 | Y | 38.3 | Very low | 36.9 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 66 | 149.8 | 157.5 | -78.6 | -135.9 | 0 | 0 | 0 | 117.3 | ||||
| 5 | R | 42.3 | Very low | 36.6 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | cis | -170.1 | 170.9 | -16.5 | -101.6 | -168.8 | 179.6 | -89.4 | -1.4 | 105.8 | ||||
| 6 | D | 44.2 | Very low | 36.3 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | cis | -167.2 | -172.6 | -4.5 | -110.2 | 2.5 | 0 | 0 | 0 | 106.2 | ||||
| 7 | D | 45.2 | Very low | 36.1 | Very low | 121 Ų | 121 | 144 Ų | 144 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | -165.5 | 154.3 | -61 | -178.7 | 33.5 | 0 | 0 | 0 | 109.3 | |||||
| 8 | N | 39.3 | Very low | 36 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | 73.9 | 157.8 | 151.5 | -113.5 | -57 | 0 | 0 | 0 | 125.7 | ||||
| 9 | G | 30 | Very low | 35.8 | Very low | 68 Ų | 68 | 139.9 Ų | 139.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | 87.6 | 94.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 10 | A | 32.9 | Very low | 35.9 | Very low | 85 Ų | 85 | 139.2 Ų | 139.2 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | cis | 88.1 | 117.5 | 13.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 11 | R | 34.6 | Very low | 35.9 | Very low | 254 Ų | 254 | 139 Ų | 139 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | trans | 73.4 | 158.4 | 170.6 | -59.6 | -174.5 | 174.6 | 178.5 | -0.4 | 116 | ||||
| 12 | A | 30.4 | Very low | 35.8 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | cis | -141.4 | 165.2 | 13.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 13 | L | 35.2 | Very low | 36.2 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | trans | -99.2 | 148.2 | 159.8 | -72.2 | 166.4 | 0 | 0 | 0 | 109.3 | ||||
| 14 | L | 36.6 | Very low | 35.9 | Very low | 171 Ų | 171 | 133.8 Ų | 133.8 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | 179.4 | 143.1 | 125 | -99.3 | 166.2 | 0 | 0 | 0 | 115.1 | |||||
| 15 | A | 32.2 | Very low | 35.7 | Very low | 82 Ų | 82 | 136.1 Ų | 136.1 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | 30 | 128.9 | 148.5 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 16 | L | 32.4 | Very low | 35.2 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | 173.1 | 103.8 | 123.1 | -91.4 | 169.5 | 0 | 0 | 0 | 107 | |||||
| 17 | Q | 32.3 | Very low | 34.5 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | 62.7 | 97.8 | 72.3 | -166.4 | 164.6 | -1.5 | 0 | 0 | 115.1 | |||||
| 18 | S | 35.1 | Very low | 33.9 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | 46.6 | 116.3 | 155.6 | 61.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 19 | A | 31.7 | Very low | 33.4 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -129.2 | 123.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 20 | P | 38 | Very low | 33.6 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -88.6 | 150.6 | -179.5 | 34.2 | -34.2 | 0 | 0 | 0 | 113 | S22 | P20-S22 PolarHBondContact O-N 2.88Š| ||
| 21 | C | 35.1 | Very low | 33.4 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 91% | 0.905 | 82% | 0.819 | S | S | * | * | trans | -72.1 | 115.5 | 172.3 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 22 | S | 32.7 | Very low | 33 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -86 | 137.9 | -179.8 | -166.8 | 0 | 0 | 0 | 0 | 112.5 | P20 | P20-S22 PolarHBondContact O-N 2.88Š| ||
| 23 | P | 43 | Very low | 32.9 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | trans | -86.5 | 135.7 | 178.4 | 33.5 | -33.3 | 0 | 0 | 0 | 112.6 | R25 | P23-R25 PolarHBondContact O-N 3.07Å; P23-R25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | V | 33 | Very low | 32.5 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -74.3 | 104.1 | 170.1 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 25 | R | 33.7 | Very low | 32.3 | Very low | 234 Ų | 234 | 138.9 Ų | 138.9 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -94.5 | 128.7 | 159.6 | -90.4 | -172.2 | 167.6 | -170.7 | -3.5 | 109.3 | P23 | P23-R25 PolarHBondContact O-N 3.07Å; P23-R25 VanDerWaalsContact O-N 3.14Å | ||
| 26 | V | 32.1 | Very low | 32.6 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -80 | 131.7 | 160.3 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 27 | A | 29.7 | Very low | 32.6 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -129.1 | 136.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 28 | V | 32.6 | Very low | 32.6 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -101.8 | 123.2 | 177.7 | 174.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 29 | T | 28.6 | Very low | 32.5 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -152.8 | 140.2 | 149.7 | 21.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 30 | S | 32.7 | Very low | 32.5 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | trans | -62 | 154.3 | 168.1 | 49.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 31 | H | 28.9 | Very low | 32.3 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | trans | -155.4 | 154.8 | 133.7 | -108.4 | -70.9 | 0 | 0 | 0 | 112.4 | ||||
| 32 | S | 27.1 | Very low | 32.1 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | -103.7 | 161.7 | -171.4 | -33.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 33 | Y | 28.3 | Very low | 32.7 | Very low | 217 Ų | 217 | 140 Ų | 140 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | 24.2 | 114.2 | 159.1 | -70.9 | -88.9 | 0 | 0 | 0 | 119.2 | ||||
| 34 | H | 27.1 | Very low | 32.8 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | -167.9 | 152.5 | 96.4 | -118 | -86.4 | 0 | 0 | 0 | 114.5 | |||||
| 35 | Q | 32.8 | Very low | 32.9 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 71% | 0.71 | 81% | 0.806 | S | S | * | * | trans | -78.7 | 151.4 | 159.2 | -98.8 | -84.2 | -32.8 | 0 | 0 | 109.4 | ||||
| 36 | P | 38.5 | Very low | 32.9 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | -140.3 | 162.2 | 96.4 | 39.1 | -26.9 | 0 | 0 | 0 | 116.4 | |||||
| 37 | S | 32.6 | Very low | 32.9 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | -63.9 | 156.5 | 172.9 | 54.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 38 | L | 30.5 | Very low | 33 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | -160.3 | 155 | 123.6 | -108.8 | 168.4 | 0 | 0 | 0 | 111.3 | |||||
| 39 | S | 33.8 | Very low | 33 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -131.8 | 136.4 | -171.2 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 40 | V | 32.6 | Very low | 33.2 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -136.3 | 148.4 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 41 | L | 33 | Very low | 33.1 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | trans | -101.5 | 151.4 | -167.5 | -68.4 | 153.6 | 0 | 0 | 0 | 113.1 | ||||
| 42 | G | 31.7 | Very low | 33.4 | Very low | 72 Ų | 72 | 138.8 Ų | 138.8 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -164.4 | 144.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 43 | P | 44.5 | Very low | 34.1 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | trans | -116.8 | -175.5 | -141.8 | 39.1 | -23.6 | 0 | 0 | 0 | 114.6 | ||||
| 44 | P | 44.5 | Very low | 34.3 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -115.6 | 168.4 | -143.1 | 42 | -35 | 0 | 0 | 0 | 116.6 | ||||
| 45 | I | 36.7 | Very low | 34.8 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -136.1 | 132.4 | 170.6 | -66.8 | -176.7 | 0 | 0 | 0 | 111 | ||||
| 46 | M | 33.4 | Very low | 35.2 | Very low | 157 Ų | 157 | 131.1 Ų | 131.1 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -80.6 | 170.4 | 172.6 | -68.4 | 167.8 | 60.9 | 0 | 0 | 111.8 | ||||
| 47 | E | 31.4 | Very low | 35.3 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 58% | 0.579 | 80% | 0.797 | S | S | * | * | cis | -155.6 | 150 | -20.1 | -124.8 | -167.8 | 131.1 | 0 | 0 | 105.4 | R49 | E47-R49 IonicContact OE1-CZ 3.9Å; E47-R49 IonicContact OE1-NE 3.18Å; E47-R49 PolarHBondContact OE1-NE 2.88Å; E47-R49 VanDerWaalsContact OE1-NE 3.16Å; E47-R49 IonicContact OE1-NH2 3.66Å; E47-R49 PolarHBondContact OE1-NH2 3.24Å | ||
| 48 | A | 32.6 | Very low | 35.5 | Very low | 102 Ų | 102 | 136.2 Ų | 136.2 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -156.6 | 112.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 49 | R | 32.6 | Very low | 36.1 | Very low | 206 Ų | 206 | 136 Ų | 136 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | -91.5 | 148.3 | 161 | -50.1 | 176.2 | -165.8 | -179.2 | 3 | 105.9 | E47 | E47-R49 IonicContact OE1-CZ 3.9Å; E47-R49 IonicContact OE1-NE 3.18Å; E47-R49 PolarHBondContact OE1-NE 2.88Å; E47-R49 VanDerWaalsContact OE1-NE 3.16Å; E47-R49 IonicContact OE1-NH2 3.66Å; E47-R49 PolarHBondContact OE1-NH2 3.24Å | ||
| 50 | C | 31.7 | Very low | 36.4 | Very low | 123 Ų | 123 | 136 Ų | 136 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | cis | -149.8 | 169.4 | 35.7 | -76.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 51 | D | 30.9 | Very low | 37 | Very low | 156 Ų | 156 | 134.3 Ų | 134.3 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | cis | -175.6 | -151.4 | -18.6 | -179.6 | 23 | 0 | 0 | 0 | 106 | ||||
| 52 | A | 34.9 | Very low | 38.2 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | trans | 70 | 70.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 53 | G | 41.5 | Very low | 39.5 | Very low | 86 Ų | 86 | 133 Ų | 133 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | 51.5 | 90.2 | 131.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 54 | G | 33.8 | Very low | 40.9 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -161.2 | 106.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P56 | G54-P56 WeakPolarHBondContact O-CD 3.43Š| ||
| 55 | F | 37.3 | Very low | 42.8 | Very low | 208 Ų | 208 | 131.7 Ų | 131.7 | 91% | 0.912 | 77% | 0.769 | S | S | * | * | trans | -67 | 122.9 | 168.6 | -69.8 | -86.2 | 0 | 0 | 0 | 109.2 | A57 | F55-A57 PolarHBondContact O-N 3.36Š| ||
| 56 | P | 40.2 | Very low | 45.5 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | trans | -73.1 | 83.7 | 169 | 30.7 | -33.1 | 0 | 0 | 0 | 108.5 | G54 R58 | G54-P56 WeakPolarHBondContact O-CD 3.43Å; P56-R58 PolarHBondContact O-N 3.02Å; P56-R58 VanDerWaalsContact O-N 3.11Å | ||
| 57 | A | 41.1 | Very low | 48.4 | Very low | 83 Ų | 83 | 118 Ų | 118 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | trans | -54.3 | 119 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | F55 L59 | F55-A57 PolarHBondContact O-N 3.36Å; A57-L59 PolarHBondContact O-N 2.72Å | ||
| 58 | R | 37.7 | Very low | 51.5 | Low | 236 Ų | 236 | 112.1 Ų | 112.1 | 89% | 0.891 | 68% | 0.677 | S | S | * | * | trans | -59.7 | 111.8 | 174.7 | -73.2 | -174.6 | 176.1 | -162.7 | -0.4 | 107.7 | P56 S60 | P56-R58 PolarHBondContact O-N 3.02Å; P56-R58 VanDerWaalsContact O-N 3.11Å; R58-S60 PolarHBondContact O-N 3.4Å | ||
| 59 | L | 41.5 | Very low | 54.6 | Low | 167 Ų | 167 | 111.4 Ų | 111.4 | 87% | 0.874 | 65% | 0.652 | S | S | * | * | trans | -65.2 | 84.5 | 168.8 | -72.6 | 173.4 | 0 | 0 | 0 | 108.5 | A57 S61 | A57-L59 PolarHBondContact O-N 2.72Å; L59-S61 PolarHBondContact O-N 2.89Å | ||
| 60 | S | 41 | Very low | 57.7 | Low | 106 Ų | 106 | 101.6 Ų | 101.6 | 74% | 0.741 | 62% | 0.615 | S | S | * | * | trans | -69.4 | 84.8 | 165 | 45.2 | 0 | 0 | 0 | 0 | 107.4 | R58 T62 | R58-S60 PolarHBondContact O-N 3.4Å; S60-T62 VanDerWaalsContact C-N 3.31Å; S60-T62 PolarHBondContact O-N 3.41Å | ||
| 61 | S | 46.2 | Very low | 60.8 | Low | 114 Ų | 114 | 100.2 Ų | 100.2 | 80% | 0.797 | 60% | 0.597 | S | S | * | * | trans | -60 | 98.8 | 166.6 | 40.3 | 0 | 0 | 0 | 0 | 108 | L59 | L59-S61 PolarHBondContact O-N 2.89Š| ||
| 62 | T | 56.3 | Low | 63.8 | Low | 122 Ų | 122 | 93.2 Ų | 93.2 | 75% | 0.748 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 131.2 | 172.7 | 40 | 0 | 0 | 0 | 0 | 108.1 | S60 | S60-T62 VanDerWaalsContact C-N 3.31Å; S60-T62 PolarHBondContact O-N 3.41Å |
| 63 | P | 60.7 | Low | 66.4 | Low | 102 Ų | 102 | 99.2 Ų | 99.2 | 66% | 0.662 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 129.8 | -177 | 24.2 | -33.1 | 0 | 0 | 0 | 108.7 | Q65 | P63-Q65 PolarHBondContact O-N 2.85Š|
| 64 | P | 72.4 | Confident | 68.7 | Low | 85 Ų | 85 | 101.9 Ų | 101.9 | 55% | 0.552 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 128.6 | -168.3 | 19.3 | -31.8 | 0 | 0 | 0 | 110.8 | R80 | P64-R80 HydrophobicContact CB-CB 4.49Å; P64-R80 WeakPolarHBondContact O-CD 3.47Å; P64-R80 PolarHBondContact O-NH1 3.34Å |
| 65 | Q | 85.3 | Confident | 71.5 | Confident | 136 Ų | 136 | 101.8 Ų | 101.8 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 137.4 | -168.7 | -170.5 | 176 | 6.6 | 0 | 0 | 111.7 | P63 L67 | P63-Q65 PolarHBondContact O-N 2.85Å; Q65-L67 PolarHBondContact O-N 3.38Å |
| 66 | A | 92.2 | Very high | 74.3 | Confident | 26 Ų | 26 | 97.7 Ų | 97.7 | 22% | 0.215 | 52% | 0.523 | C | S | . | . | trans | -75.8 | 112.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | V78 L166 | A66-V78 HydrophobicContact CB-CG1 3.58Å; A66-L166 HydrophobicContact CB-CD1 3.79Å | ||
| 67 | L | 94.6 | Very high | 77 | Confident | 17 Ų | 17 | 94.3 Ų | 94.3 | 9% | 0.089 | 50% | 0.496 | C | S | . | . | trans | -85.7 | -45.1 | -177.1 | -49.9 | 177.8 | 0 | 0 | 0 | 110.4 | Q65 M79 Y114 F120 L166 L167 | Q65-L67 PolarHBondContact O-N 3.38Å; L67-M79 HydrophobicContact CB-CG 4.44Å; L67-M79 WeakPolarHBondContact CB-O 3.27Å; L67-M79 PolarHBondContact N-O 3.37Å; L67-Y114 HydrophobicContact CD1-CD1 4.03Å; L67-Y114 HydrophobicContact CD1-CG 4.35Å; L67-F120 HydrophobicContact CB-CE1 4.21Å; L67-F120 HydrophobicContact CB-CZ 3.85Å; L67-F120 VanDerWaalsContact O-CZ 3.31Å; L67-F120 WeakPolarHBondContact O-CZ 3.5Å; L67-L166 PolarHBondContact O-N 3.07Å; L67-L167 HydrophobicContact CD2-CD2 4Å; L67-L167 PolarHBondContact O-N 2.94Å | ||
| 68 | A | 96.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 92.9 Ų | 92.9 | 0% | 0 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 160.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V78 M79 F120 F163 T164 | A68-V78 CarbonylContact O-C 3.53Å; A68-M79 HydrophobicContact CB-CB 4.2Å; A68-M79 HydrophobicContact CB-SD 4.48Å; A68-M79 PolarHBondContact N-O 3Å; A68-M79 WeakPolarHBondContact O-CB 3.43Å; A68-M79 PolarHBondContact O-N 3.05Å; A68-F120 HydrophobicContact CB-CE1 3.79Å; A68-F120 HydrophobicContact CB-CZ 3.87Å; A68-F163 HydrophobicContact CB-CD2 4.23Å; A68-F163 HydrophobicContact CB-CE2 3.45Å; A68-F163 VanDerWaalsContact CB-CE2 3.45Å; A68-F163 HydrophobicContact CB-CZ 3.82Å; A68-T164 CarbonylContact C-O 3.59Å; A68-T164 VanDerWaalsContact CA-O 3.26Å; A68-T164 WeakPolarHBondContact CA-O 3.32Å; A68-T164 WeakPolarHBondContact CB-O 3.42Å |
| 69 | R | 97.4 | Very high | 82.3 | Confident | 87 Ų | 87 | 81.6 Ų | 81.6 | 33% | 0.328 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 142.5 | 166.5 | 172.7 | 166.3 | 61.5 | -172.1 | 2.9 | 110 | E76 F163 T164 L166 | R69-E76 WeakPolarHBondContact CD-OE1 3.42Å; R69-E76 HydrophobicContact CG-CG 4.18Å; R69-E76 IonicContact CZ-OE1 2.61Å; R69-E76 IonicContact NE-OE1 3.14Å; R69-E76 IonicContact NH1-OE1 3.93Å; R69-E76 PolarHBondContact NH1-OE1 3.2Å; R69-E76 VanDerWaalsContact NH1-OE1 3.14Å; R69-F163 WeakPolarHBondContact O-CA 3.37Å; R69-T164 PolarHBondContact N-O 2.87Å; R69-T164 PolarHBondContact O-N 2.99Å; R69-L166 HydrophobicContact CB-CD1 4.1Å; R69-L166 HydrophobicContact CB-CD2 4.38Å; R69-L166 HydrophobicContact CB-CG 4.29Å |
| 70 | L | 97.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 117 | 171.3 | -71.1 | 96.1 | 0 | 0 | 0 | 109.4 | F77 M79 I86 I97 I112 F152 I161 Q162 F163 | L70-F77 HydrophobicContact CB-CB 4.42Å; L70-F77 HydrophobicContact CD1-CD1 4.28Å; L70-F77 PolarHBondContact N-O 3.24Å; L70-F77 PolarHBondContact O-N 2.83Å; L70-M79 HydrophobicContact CD1-CB 4.06Å; L70-I86 HydrophobicContact CD2-CD1 3.68Å; L70-I97 HydrophobicContact CB-CD1 4.06Å; L70-I97 HydrophobicContact CD2-CD1 3.93Å; L70-I97 HydrophobicContact CG-CD1 4.44Å; L70-I112 HydrophobicContact CD2-CD1 3.58Å; L70-F152 HydrophobicContact CD2-CE2 4.18Å; L70-I161 HydrophobicContact CB-CG2 4.03Å; L70-I161 HydrophobicContact CD2-CG2 4.23Å; L70-Q162 CarbonylContact C-O 3.52Å; L70-Q162 WeakPolarHBondContact CA-O 3.29Å; L70-F163 HydrophobicContact CD1-CD2 4.2Å; L70-F163 HydrophobicContact CD2-CD2 4.4Å; L70-F163 HydrophobicContact CG-CD2 4.07Å |
| 71 | E | 97.3 | Very high | 87.4 | Confident | 94 Ų | 94 | 80 Ų | 80 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.3 | -175.6 | -168.3 | -178.2 | 144.1 | 0 | 0 | 110.1 | I161 Q162 | E71-I161 CarbonylContact O-C 3.49Å; E71-I161 VanDerWaalsContact O-CA 3.27Å; E71-I161 WeakPolarHBondContact O-CA 3.45Å; E71-I161 WeakPolarHBondContact O-CG2 3.47Å; E71-Q162 PolarHBondContact N-O 3.22Å; E71-Q162 PolarHBondContact O-N 2.99Å |
| 72 | G | 93.7 | Very high | 89.6 | Confident | 9 Ų | 9 | 81.1 Ų | 81.1 | 9% | 0.093 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 169.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | D74 F75 | G72-D74 PolarHBondContact O-N 3.22Å; G72-F75 PolarHBondContact N-O 3.08Å; G72-F75 PolarHBondContact O-N 3.11Å |
| 73 | R | 89.8 | Confident | 91.5 | Very high | 212 Ų | 212 | 77.7 Ų | 77.7 | 80% | 0.8 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.8 | -39.1 | -177.8 | 174.9 | -175.7 | -79.3 | -167.6 | -8.5 | 114 | ||
| 74 | D | 89.8 | Confident | 93.2 | Very high | 143 Ų | 143 | 72.9 Ų | 72.9 | 77% | 0.765 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | 14.5 | -169.8 | -43.9 | -82 | 0 | 0 | 0 | 112.3 | G72 | G72-D74 PolarHBondContact O-N 3.22Š|
| 75 | F | 92.6 | Very high | 94.4 | Very high | 68 Ų | 68 | 70 Ų | 70 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 147.5 | 179.5 | 70 | -92.1 | 0 | 0 | 0 | 114.2 | G72 F77 I97 M99 I161 | G72-F75 PolarHBondContact N-O 3.08Å; G72-F75 PolarHBondContact O-N 3.11Å; F75-F77 HydrophobicContact CD2-CB 4.37Å; F75-I97 HydrophobicContact CD2-CG2 4.44Å; F75-I97 HydrophobicContact CE2-CG2 3.72Å; F75-I97 HydrophobicContact CZ-CG2 3.77Å; F75-M99 HydrophobicContact CE1-CE 3.79Å; F75-M99 HydrophobicContact CE1-SD 4.16Å; F75-M99 HydrophobicContact CZ-CE 3.94Å; F75-M99 HydrophobicContact CZ-SD 4.04Å; F75-I161 HydrophobicContact CZ-CD1 4.17Å; F75-I161 HydrophobicContact CZ-CG1 4.12Å; F75-I161 HydrophobicContact CZ-CG2 4.46Å |
| 76 | E | 95.9 | Very high | 94.9 | Very high | 121 Ų | 121 | 63.5 Ų | 63.5 | 57% | 0.565 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.6 | 161.8 | -173.5 | -178.3 | -160.5 | 0 | 0 | 108.7 | R69 | R69-E76 WeakPolarHBondContact CD-OE1 3.42Å; R69-E76 HydrophobicContact CG-CG 4.18Å; R69-E76 IonicContact CZ-OE1 2.61Å; R69-E76 IonicContact NE-OE1 3.14Å; R69-E76 IonicContact NH1-OE1 3.93Å; R69-E76 PolarHBondContact NH1-OE1 3.2Å; R69-E76 VanDerWaalsContact NH1-OE1 3.14Å |
| 77 | F | 96.5 | Very high | 95.1 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 23% | 0.232 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 128.7 | 177.9 | 179.6 | -83 | 0 | 0 | 0 | 110.5 | L70 F75 M79 V84 D96 I97 | L70-F77 HydrophobicContact CB-CB 4.42Å; L70-F77 HydrophobicContact CD1-CD1 4.28Å; L70-F77 PolarHBondContact N-O 3.24Å; L70-F77 PolarHBondContact O-N 2.83Å; F75-F77 HydrophobicContact CD2-CB 4.37Å; F77-M79 HydrophobicContact CE1-CB 4.28Å; F77-V84 HydrophobicContact CE1-CG1 3.86Å; F77-V84 HydrophobicContact CE1-CG2 3.93Å; F77-V84 HydrophobicContact CZ-CG1 4.18Å; F77-V84 HydrophobicContact CZ-CG2 4.29Å; F77-D96 HydrophobicContact CZ-CB 4.3Å; F77-I97 HydrophobicContact CB-CD1 3.97Å; F77-I97 HydrophobicContact CB-CG1 4.36Å; F77-I97 HydrophobicContact CD1-CD1 3.6Å; F77-I97 HydrophobicContact CD1-CG1 3.99Å; F77-I97 HydrophobicContact CD2-CD1 4.22Å; F77-I97 HydrophobicContact CD2-CG1 3.8Å; F77-I97 HydrophobicContact CE1-CD1 4.1Å; F77-I97 HydrophobicContact CE1-CG1 4.2Å; F77-I97 HydrophobicContact CE2-CG1 4.01Å; F77-I97 HydrophobicContact CG-CD1 3.66Å; F77-I97 HydrophobicContact CG-CG1 3.79Å; F77-I97 HydrophobicContact CZ-CG1 4.21Å |
| 78 | V | 96.6 | Very high | 95 | Very high | 52 Ų | 52 | 64.9 Ų | 64.9 | 32% | 0.315 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 112 | 177.8 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | A66 A68 R80 L166 | A66-V78 HydrophobicContact CB-CG1 3.58Å; A68-V78 CarbonylContact O-C 3.53Å; V78-R80 HydrophobicContact CG1-CG 4.19Å; V78-R80 PolarHBondContact O-N 2.88Å; V78-R80 VanDerWaalsContact O-N 3.17Å; V78-L166 HydrophobicContact CG1-CD1 4.22Å |
| 79 | M | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 103.4 | 175.8 | 174.9 | 165.9 | 179.1 | 0 | 0 | 110.2 | L67 A68 L70 F77 Q81 V84 I112 F120 | L67-M79 HydrophobicContact CB-CG 4.44Å; L67-M79 WeakPolarHBondContact CB-O 3.27Å; L67-M79 PolarHBondContact N-O 3.37Å; A68-M79 HydrophobicContact CB-CB 4.2Å; A68-M79 HydrophobicContact CB-SD 4.48Å; A68-M79 PolarHBondContact N-O 3Å; A68-M79 WeakPolarHBondContact O-CB 3.43Å; A68-M79 PolarHBondContact O-N 3.05Å; L70-M79 HydrophobicContact CD1-CB 4.06Å; F77-M79 HydrophobicContact CE1-CB 4.28Å; M79-Q81 WeakPolarHBondContact CE-O 3.43Å; M79-Q81 WeakPolarHBondContact CG-O 3.39Å; M79-V84 HydrophobicContact CB-CG2 4.06Å; M79-V84 HydrophobicContact CE-CG2 4.14Å; M79-V84 HydrophobicContact CG-CG2 3.54Å; M79-V84 HydrophobicContact SD-CB 4.16Å; M79-V84 HydrophobicContact SD-CG2 3.75Å; M79-I112 HydrophobicContact CE-CG2 4.09Å; M79-I112 HydrophobicContact SD-CG2 3.98Å; M79-F120 HydrophobicContact CE-CE1 4.17Å; M79-F120 HydrophobicContact SD-CE1 4.09Å |
| 80 | R | 94.3 | Very high | 94.2 | Very high | 123 Ų | 123 | 66.4 Ų | 66.4 | 46% | 0.464 | 31% | 0.308 | S | S | . | . | trans | -105.6 | 0.8 | 172.5 | -61.7 | -179.6 | -177.2 | -94.8 | 2.5 | 113.7 | P64 V78 | P64-R80 HydrophobicContact CB-CB 4.49Å; P64-R80 WeakPolarHBondContact O-CD 3.47Å; P64-R80 PolarHBondContact O-NH1 3.34Å; V78-R80 HydrophobicContact CG1-CG 4.19Å; V78-R80 PolarHBondContact O-N 2.88Å; V78-R80 VanDerWaalsContact O-N 3.17Å | ||
| 81 | Q | 94.1 | Very high | 93.3 | Very high | 117 Ų | 117 | 69.8 Ų | 69.8 | 55% | 0.547 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -113.6 | 147 | 179 | -69.6 | 175.5 | -34.7 | 0 | 0 | 109.6 | M79 T83 | M79-Q81 WeakPolarHBondContact CE-O 3.43Å; M79-Q81 WeakPolarHBondContact CG-O 3.39Å; Q81-T83 PolarHBondContact O-N 3.44Å |
| 82 | R | 93.9 | Very high | 91.8 | Very high | 136 Ų | 136 | 72 Ų | 72 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -62.6 | -11.3 | 178.4 | -62.8 | -172.6 | -169.8 | -126.7 | -5 | 114.4 | T113 Y114 E116 | R82-T113 CarbonylContact O-C 3.56Å; R82-T113 VanDerWaalsContact O-CA 3.3Å; R82-T113 WeakPolarHBondContact O-CA 3.47Å; R82-Y114 PolarHBondContact O-N 3.02Å; R82-E116 IonicContact CZ-OE1 3.48Å; R82-E116 IonicContact NH1-OE1 3.16Å; R82-E116 PolarHBondContact NH1-OE1 3.28Å; R82-E116 IonicContact NH2-OE1 2.92Å; R82-E116 PolarHBondContact NH2-OE1 2.92Å |
| 83 | T | 95.6 | Very high | 91.1 | Very high | 50 Ų | 50 | 73.3 Ų | 73.3 | 31% | 0.307 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 136.6 | 175.6 | -75.6 | 0 | 0 | 0 | 0 | 110.5 | Q81 Q111 I112 T113 | Q81-T83 PolarHBondContact O-N 3.44Å; T83-Q111 HydrophobicContact CG2-CG 3.78Å; T83-I112 CarbonylContact C-O 3.47Å; T83-I112 VanDerWaalsContact CA-O 3.24Å; T83-I112 WeakPolarHBondContact CA-O 3.48Å; T83-T113 PolarHBondContact OG1-OG1 3.26Å |
| 84 | V | 96.5 | Very high | 91 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 132.4 | 179.6 | 169.9 | 0 | 0 | 0 | 0 | 109.5 | F77 M79 D96 I97 Q111 I112 | F77-V84 HydrophobicContact CE1-CG1 3.86Å; F77-V84 HydrophobicContact CE1-CG2 3.93Å; F77-V84 HydrophobicContact CZ-CG1 4.18Å; F77-V84 HydrophobicContact CZ-CG2 4.29Å; M79-V84 HydrophobicContact CB-CG2 4.06Å; M79-V84 HydrophobicContact CE-CG2 4.14Å; M79-V84 HydrophobicContact CG-CG2 3.54Å; M79-V84 HydrophobicContact SD-CB 4.16Å; M79-V84 HydrophobicContact SD-CG2 3.75Å; V84-D96 HydrophobicContact CG1-CB 4.14Å; V84-I97 HydrophobicContact CG1-CD1 4.03Å; V84-I97 HydrophobicContact CG1-CG1 4.09Å; V84-Q111 WeakPolarHBondContact O-CA 3.4Å; V84-I112 PolarHBondContact N-O 2.98Å; V84-I112 PolarHBondContact O-N 3.48Å |
| 85 | T | 96.8 | Very high | 91.1 | Very high | 24 Ų | 24 | 61.8 Ų | 61.8 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 127.4 | -179.9 | -45.5 | 0 | 0 | 0 | 0 | 110.8 | V95 D96 I97 R108 L110 | T85-V95 HydrophobicContact CG2-CB 4.41Å; T85-V95 HydrophobicContact CG2-CG1 3.74Å; T85-D96 WeakPolarHBondContact CA-OD2 3.4Å; T85-D96 WeakPolarHBondContact CB-OD2 3.41Å; T85-D96 PolarHBondContact N-OD2 2.87Å; T85-D96 PolarHBondContact O-N 3.32Å; T85-D96 PolarHBondContact OG1-OD2 2.85Å; T85-I97 PolarHBondContact O-N 3.37Å; T85-R108 HydrophobicContact CG2-CB 3.82Å; T85-R108 HydrophobicContact CG2-CG 3.7Å; T85-L110 WeakPolarHBondContact CA-O 3.3Å |
| 86 | I | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.7 | 177.6 | -44.8 | -177.2 | 0 | 0 | 0 | 108.7 | L70 I97 M99 H109 L110 I112 F154 I161 | L70-I86 HydrophobicContact CD2-CD1 3.68Å; I86-I97 WeakPolarHBondContact CA-O 3.22Å; I86-I97 HydrophobicContact CB-CB 4.42Å; I86-I97 HydrophobicContact CD1-CD1 4.19Å; I86-I97 HydrophobicContact CG1-CB 4.2Å; I86-I97 HydrophobicContact CG1-CD1 4.13Å; I86-I97 HydrophobicContact CG1-CG1 4.45Å; I86-I97 HydrophobicContact CG2-CB 4.1Å; I86-I97 HydrophobicContact CG2-CG2 4.21Å; I86-M99 HydrophobicContact CG2-CG 3.73Å; I86-M99 HydrophobicContact CG2-SD 3.66Å; I86-H109 WeakPolarHBondContact O-CA 3.44Å; I86-H109 WeakPolarHBondContact O-CB 3.41Å; I86-H109 PolarHBondContact O-N 3.23Å; I86-L110 HydrophobicContact CB-CB 4.12Å; I86-L110 HydrophobicContact CD1-CD1 4.36Å; I86-L110 HydrophobicContact CG1-CB 4.45Å; I86-L110 PolarHBondContact N-O 3.47Å; I86-L110 PolarHBondContact O-N 3.05Å; I86-I112 HydrophobicContact CD1-CD1 3.95Å; I86-F154 HydrophobicContact CG2-CZ 4.07Å; I86-I161 HydrophobicContact CD1-CD1 4.03Å; I86-I161 HydrophobicContact CG2-CD1 3.86Å |
| 87 | G | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.5 | -134.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | I97 M99 S106 R107 | G87-I97 PolarHBondContact N-O 3.48Å; G87-M99 WeakPolarHBondContact O-CB 3.33Å; G87-M99 WeakPolarHBondContact O-CG 3.27Å; G87-M99 PolarHBondContact O-N 3Å; G87-S106 CarbonylContact C-O 3.5Å; G87-S106 VanDerWaalsContact CA-O 3.28Å; G87-S106 WeakPolarHBondContact CA-O 3.39Å; G87-R107 WeakPolarHBondContact CA-O 3.43Å |
| 88 | R | 93.6 | Very high | 91 | Very high | 73 Ų | 73 | 57.4 Ų | 57.4 | 28% | 0.275 | 30% | 0.303 | S | S | . | . | trans | -142.4 | 138.8 | 172.4 | 57.3 | 168 | 165.6 | 148.3 | -2.8 | 112 | N98 G100 S102 I105 S106 R107 | R88-N98 WeakPolarHBondContact CA-OD1 3.35Å; R88-G100 WeakPolarHBondContact CB-O 3.11Å; R88-S102 WeakPolarHBondContact CD-O 3.14Å; R88-S102 PolarHBondContact NE-O 3.44Å; R88-I105 PolarHBondContact NE-O 3.15Å; R88-I105 PolarHBondContact NH2-O 3.5Å; R88-S106 PolarHBondContact N-O 3.25Å; R88-R107 PolarHBondContact N-O 2.83Å; R88-R107 CarbonylContact O-C 3.58Å; R88-R107 VanDerWaalsContact O-CA 3.3Å; R88-R107 WeakPolarHBondContact O-CA 3.12Å; R88-R107 VanDerWaalsContact O-O 3.09Å | ||
| 89 | N | 91.3 | Very high | 90.8 | Very high | 81 Ų | 81 | 55.8 Ų | 55.8 | 43% | 0.433 | 29% | 0.293 | S | S | . | . | trans | -57.3 | 150.8 | -179.3 | -72 | -12.6 | 0 | 0 | 0 | 112.8 | S94 V95 N98 | N89-S94 VanDerWaalsContact OD1-CA 3.29Å; N89-S94 WeakPolarHBondContact OD1-CA 3.01Å; N89-V95 PolarHBondContact OD1-N 3.4Å; N89-N98 PolarHBondContact N-OD1 3.1Å | ||
| 90 | S | 85.3 | Confident | 90.3 | Very high | 38 Ų | 38 | 57.1 Ų | 57.1 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -148.5 | 166.1 | -174 | 77.5 | 0 | 0 | 0 | 0 | 113.5 | H92 G93 R107 | S90-H92 PolarHBondContact O-N 2.86Å; S90-H92 VanDerWaalsContact O-N 3.08Å; S90-H92 PolarHBondContact OG-N 2.91Å; S90-G93 PolarHBondContact N-O 2.94Å; S90-G93 PolarHBondContact O-N 3.03Å; S90-G93 PolarHBondContact OG-N 3Å; S90-G93 PolarHBondContact OG-O 3.14Å; S90-R107 VanDerWaalsContact CB-CD 3.44Å |
| 91 | S | 78.1 | Confident | 89.9 | Confident | 70 Ų | 70 | 59.8 Ų | 59.8 | 49% | 0.49 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -13.8 | 172.9 | 36.1 | 0 | 0 | 0 | 0 | 114.9 | D332 | S91-D332 PolarHBondContact OG-OD2 3.2Å; S91-D332 VanDerWaalsContact OG-OD2 3.09Å |
| 92 | H | 67.3 | Low | 89.6 | Confident | 141 Ų | 141 | 55.8 Ų | 55.8 | 65% | 0.653 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | 20.3 | -178.7 | -50.1 | -94.3 | 0 | 0 | 0 | 112.4 | S90 R107 | S90-H92 PolarHBondContact O-N 2.86Å; S90-H92 VanDerWaalsContact O-N 3.08Å; S90-H92 PolarHBondContact OG-N 2.91Å; H92-R107 PolarHBondContact CD2-NH1 2.98Å |
| 93 | G | 77.3 | Confident | 89.4 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 38% | 0.381 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | 143.4 | 149.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S90 | S90-G93 PolarHBondContact N-O 2.94Å; S90-G93 PolarHBondContact O-N 3.03Å; S90-G93 PolarHBondContact OG-N 3Å; S90-G93 PolarHBondContact OG-O 3.14Å |
| 94 | S | 87.8 | Confident | 89.3 | Confident | 97 Ų | 97 | 54.7 Ų | 54.7 | 68% | 0.678 | 31% | 0.313 | S | S | * | . | trans | -78.8 | 176 | 166.3 | 45.2 | 0 | 0 | 0 | 0 | 112 | N89 | N89-S94 VanDerWaalsContact OD1-CA 3.29Å; N89-S94 WeakPolarHBondContact OD1-CA 3.01Å | ||
| 95 | V | 93.4 | Very high | 89.2 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | trans | -130 | 158 | 164.3 | -73.6 | 0 | 0 | 0 | 0 | 109.8 | T85 N89 I97 N98 R107 R108 | T85-V95 HydrophobicContact CG2-CB 4.41Å; T85-V95 HydrophobicContact CG2-CG1 3.74Å; N89-V95 PolarHBondContact OD1-N 3.4Å; V95-I97 WeakPolarHBondContact CG2-O 2.99Å; V95-N98 HydrophobicContact CG2-CB 4.05Å; V95-R107 WeakPolarHBondContact CG1-O 3.27Å; V95-R108 HydrophobicContact CG1-CG 4.05Å | ||
| 96 | D | 94.2 | Very high | 89.1 | Confident | 75 Ų | 75 | 54.4 Ų | 54.4 | 40% | 0.401 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -68.6 | -38.8 | -176.8 | -43.3 | -66.8 | 0 | 0 | 0 | 111.3 | F77 V84 T85 | F77-D96 HydrophobicContact CZ-CB 4.3Å; V84-D96 HydrophobicContact CG1-CB 4.14Å; T85-D96 WeakPolarHBondContact CA-OD2 3.4Å; T85-D96 WeakPolarHBondContact CB-OD2 3.41Å; T85-D96 PolarHBondContact N-OD2 2.87Å; T85-D96 PolarHBondContact O-N 3.32Å; T85-D96 PolarHBondContact OG1-OD2 2.85Å |
| 97 | I | 94.4 | Very high | 89 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 109.3 | 170.3 | -50.5 | -177.2 | 0 | 0 | 0 | 109.7 | L70 F75 F77 V84 T85 I86 G87 V95 M99 | L70-I97 HydrophobicContact CB-CD1 4.06Å; L70-I97 HydrophobicContact CD2-CD1 3.93Å; L70-I97 HydrophobicContact CG-CD1 4.44Å; F75-I97 HydrophobicContact CD2-CG2 4.44Å; F75-I97 HydrophobicContact CE2-CG2 3.72Å; F75-I97 HydrophobicContact CZ-CG2 3.77Å; F77-I97 HydrophobicContact CB-CD1 3.97Å; F77-I97 HydrophobicContact CB-CG1 4.36Å; F77-I97 HydrophobicContact CD1-CD1 3.6Å; F77-I97 HydrophobicContact CD1-CG1 3.99Å; F77-I97 HydrophobicContact CD2-CD1 4.22Å; F77-I97 HydrophobicContact CD2-CG1 3.8Å; F77-I97 HydrophobicContact CE1-CD1 4.1Å; F77-I97 HydrophobicContact CE1-CG1 4.2Å; F77-I97 HydrophobicContact CE2-CG1 4.01Å; F77-I97 HydrophobicContact CG-CD1 3.66Å; F77-I97 HydrophobicContact CG-CG1 3.79Å; F77-I97 HydrophobicContact CZ-CG1 4.21Å; V84-I97 HydrophobicContact CG1-CD1 4.03Å; V84-I97 HydrophobicContact CG1-CG1 4.09Å; T85-I97 PolarHBondContact O-N 3.37Å; I86-I97 WeakPolarHBondContact CA-O 3.22Å; I86-I97 HydrophobicContact CB-CB 4.42Å; I86-I97 HydrophobicContact CD1-CD1 4.19Å; I86-I97 HydrophobicContact CG1-CB 4.2Å; I86-I97 HydrophobicContact CG1-CD1 4.13Å; I86-I97 HydrophobicContact CG1-CG1 4.45Å; I86-I97 HydrophobicContact CG2-CB 4.1Å; I86-I97 HydrophobicContact CG2-CG2 4.21Å; G87-I97 PolarHBondContact N-O 3.48Å; V95-I97 WeakPolarHBondContact CG2-O 2.99Å; I97-M99 HydrophobicContact CG2-SD 3.67Å |
| 98 | N | 93.6 | Very high | 88.9 | Confident | 68 Ų | 68 | 68.1 Ų | 68.1 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 103 | -175 | 173.4 | 60.2 | 0 | 0 | 0 | 112.3 | R88 N89 V95 G100 | R88-N98 WeakPolarHBondContact CA-OD1 3.35Å; N89-N98 PolarHBondContact N-OD1 3.1Å; V95-N98 HydrophobicContact CG2-CB 4.05Å; N98-G100 PolarHBondContact O-N 2.83Å |
| 99 | M | 91.6 | Very high | 89.1 | Confident | 18 Ų | 18 | 64.7 Ų | 64.7 | 9% | 0.089 | 35% | 0.35 | C | S | . | . | trans | -78.8 | 38.8 | -178.2 | -45.6 | -54.3 | -66.3 | 0 | 0 | 113.4 | F75 I86 G87 I97 I105 F154 I159 I161 | F75-M99 HydrophobicContact CE1-CE 3.79Å; F75-M99 HydrophobicContact CE1-SD 4.16Å; F75-M99 HydrophobicContact CZ-CE 3.94Å; F75-M99 HydrophobicContact CZ-SD 4.04Å; I86-M99 HydrophobicContact CG2-CG 3.73Å; I86-M99 HydrophobicContact CG2-SD 3.66Å; G87-M99 WeakPolarHBondContact O-CB 3.33Å; G87-M99 WeakPolarHBondContact O-CG 3.27Å; G87-M99 PolarHBondContact O-N 3Å; I97-M99 HydrophobicContact CG2-SD 3.67Å; M99-I105 HydrophobicContact CB-CD1 3.47Å; M99-I105 VanDerWaalsContact CB-CD1 3.47Å; M99-I105 HydrophobicContact CB-CG2 4.22Å; M99-I105 HydrophobicContact CG-CD1 4Å; M99-I105 HydrophobicContact CG-CG2 4.39Å; M99-F154 HydrophobicContact CE-CE2 4.13Å; M99-F154 HydrophobicContact CG-CE2 4.48Å; M99-F154 HydrophobicContact CG-CZ 4.46Å; M99-I159 HydrophobicContact CE-CG2 3.37Å; M99-I161 HydrophobicContact CE-CD1 3.66Å; M99-I161 HydrophobicContact CE-CG1 3.87Å; M99-I161 HydrophobicContact SD-CD1 3.89Å | ||
| 100 | G | 86.6 | Confident | 89.3 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | -151.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R88 N98 | R88-G100 WeakPolarHBondContact CB-O 3.11Å; N98-G100 PolarHBondContact O-N 2.83Å |
| 101 | H | 85.1 | Confident | 89.9 | Confident | 179 Ų | 179 | 61.7 Ų | 61.7 | 83% | 0.829 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 4.8 | -169.7 | -58.4 | -50.4 | 0 | 0 | 0 | 115.2 | S103 | H101-S103 PolarHBondContact O-N 3.22Š|
| 102 | S | 88.6 | Confident | 90.8 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | trans | -54.4 | 128.5 | -172.6 | -179 | 0 | 0 | 0 | 0 | 113.4 | R88 F104 I105 | R88-S102 WeakPolarHBondContact CD-O 3.14Å; R88-S102 PolarHBondContact NE-O 3.44Å; S102-F104 VanDerWaalsContact C-N 3.26Å; S102-F104 PolarHBondContact O-N 2.61Å; S102-F104 PolarHBondContact OG-N 3.44Å; S102-I105 PolarHBondContact O-N 3.3Å | ||
| 103 | S | 89.4 | Confident | 92.3 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -19.7 | 176.7 | 59.2 | 0 | 0 | 0 | 0 | 113.4 | H101 I105 | H101-S103 PolarHBondContact O-N 3.22Å; S103-I105 VanDerWaalsContact C-N 3.3Å |
| 104 | F | 92.4 | Very high | 93.1 | Very high | 91 Ų | 91 | 53.8 Ų | 53.8 | 40% | 0.399 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18 | 174.7 | -61.5 | -78.4 | 0 | 0 | 0 | 112.7 | S102 N128 T157 | S102-F104 VanDerWaalsContact C-N 3.26Å; S102-F104 PolarHBondContact O-N 2.61Å; S102-F104 PolarHBondContact OG-N 3.44Å; F104-N128 WeakPolarHBondContact CA-ND2 3.46Å; F104-N128 PolarHBondContact O-ND2 3.34Å; F104-T157 HydrophobicContact CB-CG2 3.77Å; F104-T157 HydrophobicContact CD2-CG2 4.44Å; F104-T157 HydrophobicContact CG-CG2 4.34Å |
| 105 | I | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -97.1 | 140.1 | 173.7 | -61.5 | -177.6 | 0 | 0 | 0 | 109.3 | R88 M99 S102 S103 H109 F154 I159 | R88-I105 PolarHBondContact NE-O 3.15Å; R88-I105 PolarHBondContact NH2-O 3.5Å; M99-I105 HydrophobicContact CB-CD1 3.47Å; M99-I105 VanDerWaalsContact CB-CD1 3.47Å; M99-I105 HydrophobicContact CB-CG2 4.22Å; M99-I105 HydrophobicContact CG-CD1 4Å; M99-I105 HydrophobicContact CG-CG2 4.39Å; S102-I105 PolarHBondContact O-N 3.3Å; S103-I105 VanDerWaalsContact C-N 3.3Å; I105-H109 WeakPolarHBondContact CA-ND1 3.23Å; I105-H109 HydrophobicContact CG2-CB 3.99Å; I105-F154 HydrophobicContact CD1-CB 4.34Å; I105-F154 HydrophobicContact CD1-CD1 4.12Å; I105-F154 HydrophobicContact CD1-CD2 4.02Å; I105-F154 HydrophobicContact CD1-CE1 4.43Å; I105-F154 HydrophobicContact CD1-CE2 4.35Å; I105-F154 HydrophobicContact CD1-CG 3.89Å; I105-F154 HydrophobicContact CG1-CB 4.36Å; I105-F154 HydrophobicContact CG1-CD1 4Å; I105-F154 HydrophobicContact CG1-CE1 4.5Å; I105-F154 HydrophobicContact CG1-CG 4.11Å; I105-I159 HydrophobicContact CD1-CD1 3.73Å |
| 106 | S | 94.9 | Very high | 93.2 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 13% | 0.126 | 29% | 0.289 | C | S | . | . | trans | -88 | 154.7 | 179.9 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | G87 R88 R108 H109 G126 K127 | G87-S106 CarbonylContact C-O 3.5Å; G87-S106 VanDerWaalsContact CA-O 3.28Å; G87-S106 WeakPolarHBondContact CA-O 3.39Å; R88-S106 PolarHBondContact N-O 3.25Å; S106-R108 VanDerWaalsContact C-N 3.35Å; S106-R108 WeakPolarHBondContact CB-O 3.24Å; S106-R108 CarbonylContact O-C 3.56Å; S106-R108 PolarHBondContact O-N 2.84Å; S106-H109 PolarHBondContact N-ND1 2.94Å; S106-H109 VanDerWaalsContact N-ND1 3.12Å; S106-G126 VanDerWaalsContact CB-CA 3.45Å; S106-G126 WeakPolarHBondContact OG-CA 3.4Å; S106-K127 PolarHBondContact OG-N 3.35Å; S106-K127 VanDerWaalsContact OG-N 3.08Å | ||
| 107 | R | 93.8 | Very high | 92.8 | Very high | 117 Ų | 117 | 59.6 Ų | 59.6 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -52.1 | -52.3 | -176.4 | -71.8 | 176.6 | 171.8 | -177.1 | -5.3 | 111.8 | G87 R88 S90 H92 V95 | G87-R107 WeakPolarHBondContact CA-O 3.43Å; R88-R107 PolarHBondContact N-O 2.83Å; R88-R107 CarbonylContact O-C 3.58Å; R88-R107 VanDerWaalsContact O-CA 3.3Å; R88-R107 WeakPolarHBondContact O-CA 3.12Å; R88-R107 VanDerWaalsContact O-O 3.09Å; S90-R107 VanDerWaalsContact CB-CD 3.44Å; H92-R107 PolarHBondContact CD2-NH1 2.98Å; V95-R107 WeakPolarHBondContact CG1-O 3.27Å |
| 108 | R | 94.8 | Very high | 92.3 | Very high | 172 Ų | 172 | 61.7 Ų | 61.7 | 65% | 0.649 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.7 | 153.8 | -58.2 | -169.6 | -75.1 | -148 | 0.9 | 106.2 | T85 V95 S106 L125 | T85-R108 HydrophobicContact CG2-CB 3.82Å; T85-R108 HydrophobicContact CG2-CG 3.7Å; V95-R108 HydrophobicContact CG1-CG 4.05Å; S106-R108 VanDerWaalsContact C-N 3.35Å; S106-R108 WeakPolarHBondContact CB-O 3.24Å; S106-R108 CarbonylContact O-C 3.56Å; S106-R108 PolarHBondContact O-N 2.84Å; R108-L125 HydrophobicContact CB-CD1 4.18Å |
| 109 | H | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -51.1 | -178.2 | -158.4 | 140.7 | 0 | 0 | 0 | 110.8 | I86 I105 S106 L125 G126 G129 F154 | I86-H109 WeakPolarHBondContact O-CA 3.44Å; I86-H109 WeakPolarHBondContact O-CB 3.41Å; I86-H109 PolarHBondContact O-N 3.23Å; I105-H109 WeakPolarHBondContact CA-ND1 3.23Å; I105-H109 HydrophobicContact CG2-CB 3.99Å; S106-H109 PolarHBondContact N-ND1 2.94Å; S106-H109 VanDerWaalsContact N-ND1 3.12Å; H109-L125 CarbonylContact O-C 3.59Å; H109-L125 WeakPolarHBondContact O-CA 3.34Å; H109-L125 PolarHBondContact O-N 3.17Å; H109-G126 PolarHBondContact O-N 3.16Å; H109-G129 PolarHBondContact NE2-O 2.96Å; H109-F154 HydrophobicContact CB-CE1 4.14Å; H109-F154 AromaticContact CE1-CD1 3.67Å; H109-F154 AromaticContact CG-CE1 3.69Å; H109-F154 AromaticContact ND1-CD1 3.66Å; H109-F154 AromaticContact ND1-CE1 3.67Å |
| 110 | L | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 150.6 | 177.5 | -51.3 | 173.3 | 0 | 0 | 0 | 109.1 | T85 I86 L122 C124 V130 F154 | T85-L110 WeakPolarHBondContact CA-O 3.3Å; I86-L110 HydrophobicContact CB-CB 4.12Å; I86-L110 HydrophobicContact CD1-CD1 4.36Å; I86-L110 HydrophobicContact CG1-CB 4.45Å; I86-L110 PolarHBondContact N-O 3.47Å; I86-L110 PolarHBondContact O-N 3.05Å; L110-L122 HydrophobicContact CB-CD1 3.97Å; L110-L122 HydrophobicContact CD1-CD1 4.27Å; L110-L122 HydrophobicContact CD2-CD1 4.34Å; L110-L122 HydrophobicContact CG-CD1 4.41Å; L110-C124 HydrophobicContact CD2-CB 4.49Å; L110-V130 HydrophobicContact CD1-CG2 4.13Å; L110-V130 HydrophobicContact CD2-CB 3.86Å; L110-V130 HydrophobicContact CD2-CG1 3.65Å; L110-V130 HydrophobicContact CD2-CG2 4.23Å; L110-F154 HydrophobicContact CD1-CE1 3.88Å; L110-F154 HydrophobicContact CD1-CZ 3.68Å; L110-F154 HydrophobicContact CG-CE1 4.11Å; L110-F154 HydrophobicContact CG-CZ 4.3Å |
| 111 | Q | 97.3 | Very high | 93 | Very high | 56 Ų | 56 | 59.8 Ų | 59.8 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.2 | 165.5 | 179.3 | -177.6 | -11 | 0 | 0 | 106.4 | T83 V84 R123 L125 | T83-Q111 HydrophobicContact CG2-CG 3.78Å; V84-Q111 WeakPolarHBondContact O-CA 3.4Å; Q111-R123 HydrophobicContact CB-CB 4.47Å; Q111-R123 PolarHBondContact N-O 2.84Å; Q111-R123 PolarHBondContact O-N 2.93Å; Q111-L125 HydrophobicContact CB-CD1 3.99Å |
| 112 | I | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.5 | 170.3 | -61.3 | 168.4 | 0 | 0 | 0 | 106.4 | L70 M79 T83 V84 I86 F120 S121 L122 L146 F152 F163 | L70-I112 HydrophobicContact CD2-CD1 3.58Å; M79-I112 HydrophobicContact CE-CG2 4.09Å; M79-I112 HydrophobicContact SD-CG2 3.98Å; T83-I112 CarbonylContact C-O 3.47Å; T83-I112 VanDerWaalsContact CA-O 3.24Å; T83-I112 WeakPolarHBondContact CA-O 3.48Å; V84-I112 PolarHBondContact N-O 2.98Å; V84-I112 PolarHBondContact O-N 3.48Å; I86-I112 HydrophobicContact CD1-CD1 3.95Å; I112-F120 HydrophobicContact CG2-CD1 4.16Å; I112-S121 CarbonylContact C-O 3.58Å; I112-S121 WeakPolarHBondContact CA-O 3.26Å; I112-L122 HydrophobicContact CD1-CD1 4.27Å; I112-L122 HydrophobicContact CG1-CD1 3.5Å; I112-L146 HydrophobicContact CG2-CD1 4.25Å; I112-F152 HydrophobicContact CD1-CE2 3.67Å; I112-F152 HydrophobicContact CD1-CZ 4.04Å; I112-F163 HydrophobicContact CD1-CD2 4.37Å; I112-F163 HydrophobicContact CG2-CE2 4.47Å |
| 113 | T | 97.2 | Very high | 94 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.1 | 176.4 | -67.2 | 0 | 0 | 0 | 0 | 108.8 | R82 T83 S121 | R82-T113 CarbonylContact O-C 3.56Å; R82-T113 VanDerWaalsContact O-CA 3.3Å; R82-T113 WeakPolarHBondContact O-CA 3.47Å; T83-T113 PolarHBondContact OG1-OG1 3.26Å; T113-S121 PolarHBondContact N-O 3.31Å; T113-S121 PolarHBondContact O-N 3.42Å; T113-S121 PolarHBondContact O-OG 3.37Å |
| 114 | Y | 95.6 | Very high | 94.4 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133 | 170.3 | 173.8 | -105 | 0 | 0 | 0 | 109.6 | L67 R82 E116 G119 F120 L167 | L67-Y114 HydrophobicContact CD1-CD1 4.03Å; L67-Y114 HydrophobicContact CD1-CG 4.35Å; R82-Y114 PolarHBondContact O-N 3.02Å; Y114-E116 HydrophobicContact CE1-CG 4.2Å; Y114-G119 WeakPolarHBondContact CA-O 3.42Å; Y114-F120 HydrophobicContact CD2-CD1 4.14Å; Y114-F120 AromaticContact CD2-CD2 3.91Å; Y114-F120 HydrophobicContact CD2-CD2 3.91Å; Y114-F120 AromaticContact CD2-CE1 3.94Å; Y114-F120 HydrophobicContact CD2-CE1 3.94Å; Y114-F120 AromaticContact CD2-CE2 3.68Å; Y114-F120 HydrophobicContact CD2-CE2 3.68Å; Y114-F120 HydrophobicContact CD2-CG 4.12Å; Y114-F120 AromaticContact CD2-CZ 3.68Å; Y114-F120 HydrophobicContact CD2-CZ 3.68Å; Y114-F120 HydrophobicContact CE2-CD2 4.48Å; Y114-F120 HydrophobicContact CE2-CE2 4.14Å; Y114-F120 HydrophobicContact CE2-CZ 4.42Å; Y114-F120 HydrophobicContact CG-CD1 4.49Å; Y114-F120 HydrophobicContact CG-CE1 4.13Å; Y114-F120 HydrophobicContact CG-CZ 4.15Å; Y114-L167 HydrophobicContact CD2-CD1 3.96Å; Y114-L167 HydrophobicContact CE1-CD1 4.17Å; Y114-L167 HydrophobicContact CE2-CD1 3.23Å; Y114-L167 WeakPolarHBondContact OH-CD1 3.46Å |
| 115 | D | 93.4 | Very high | 94.5 | Very high | 81 Ų | 81 | 50.7 Ų | 50.7 | 43% | 0.433 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146.2 | 172.2 | -176.5 | 29.7 | 0 | 0 | 0 | 109.8 | G119 | D115-G119 PolarHBondContact N-O 2.91Å; D115-G119 WeakPolarHBondContact O-CA 3.35Å; D115-G119 PolarHBondContact O-N 3.35Å |
| 116 | E | 88 | Confident | 94.6 | Very high | 127 Ų | 127 | 50.7 Ų | 50.7 | 59% | 0.593 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -34.4 | -174.3 | -74.4 | 163.9 | -151.4 | 0 | 0 | 112.3 | R82 Y114 | R82-E116 IonicContact CZ-OE1 3.48Å; R82-E116 IonicContact NH1-OE1 3.16Å; R82-E116 PolarHBondContact NH1-OE1 3.28Å; R82-E116 IonicContact NH2-OE1 2.92Å; R82-E116 PolarHBondContact NH2-OE1 2.92Å; Y114-E116 HydrophobicContact CE1-CG 4.2Å |
| 117 | A | 87.3 | Confident | 94.5 | Very high | 101 Ų | 101 | 56.8 Ų | 56.8 | 84% | 0.835 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -26.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 118 | G | 83.5 | Confident | 94.6 | Very high | 51 Ų | 51 | 53 Ų | 53 | 53% | 0.526 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -6.9 | -173 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 119 | G | 92.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.2 | -146.9 | -174 | 0 | 0 | 0 | 0 | 0 | 113 | Y114 D115 | Y114-G119 WeakPolarHBondContact CA-O 3.42Å; D115-G119 PolarHBondContact N-O 2.91Å; D115-G119 WeakPolarHBondContact O-CA 3.35Å; D115-G119 PolarHBondContact O-N 3.35Å |
| 120 | F | 96.5 | Very high | 94.7 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 6% | 0.057 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 136 | 178.8 | -70.7 | -88 | 0 | 0 | 0 | 112.1 | L67 A68 M79 I112 Y114 P145 L146 F163 S165 L167 | L67-F120 HydrophobicContact CB-CE1 4.21Å; L67-F120 HydrophobicContact CB-CZ 3.85Å; L67-F120 VanDerWaalsContact O-CZ 3.31Å; L67-F120 WeakPolarHBondContact O-CZ 3.5Å; A68-F120 HydrophobicContact CB-CE1 3.79Å; A68-F120 HydrophobicContact CB-CZ 3.87Å; M79-F120 HydrophobicContact CE-CE1 4.17Å; M79-F120 HydrophobicContact SD-CE1 4.09Å; I112-F120 HydrophobicContact CG2-CD1 4.16Å; Y114-F120 HydrophobicContact CD2-CD1 4.14Å; Y114-F120 AromaticContact CD2-CD2 3.91Å; Y114-F120 HydrophobicContact CD2-CD2 3.91Å; Y114-F120 AromaticContact CD2-CE1 3.94Å; Y114-F120 HydrophobicContact CD2-CE1 3.94Å; Y114-F120 AromaticContact CD2-CE2 3.68Å; Y114-F120 HydrophobicContact CD2-CE2 3.68Å; Y114-F120 HydrophobicContact CD2-CG 4.12Å; Y114-F120 AromaticContact CD2-CZ 3.68Å; Y114-F120 HydrophobicContact CD2-CZ 3.68Å; Y114-F120 HydrophobicContact CE2-CD2 4.48Å; Y114-F120 HydrophobicContact CE2-CE2 4.14Å; Y114-F120 HydrophobicContact CE2-CZ 4.42Å; Y114-F120 HydrophobicContact CG-CD1 4.49Å; Y114-F120 HydrophobicContact CG-CE1 4.13Å; Y114-F120 HydrophobicContact CG-CZ 4.15Å; F120-P145 WeakPolarHBondContact O-CA 3.46Å; F120-L146 HydrophobicContact CB-CB 3.95Å; F120-L146 HydrophobicContact CB-CD1 4.3Å; F120-L146 PolarHBondContact O-N 3.47Å; F120-F163 HydrophobicContact CB-CZ 4.03Å; F120-F163 HydrophobicContact CD1-CE2 4.02Å; F120-F163 AromaticContact CD1-CZ 3.68Å; F120-F163 HydrophobicContact CD1-CZ 3.68Å; F120-F163 HydrophobicContact CD2-CZ 4.05Å; F120-F163 HydrophobicContact CE1-CE2 4.33Å; F120-F163 HydrophobicContact CE1-CZ 4.12Å; F120-F163 HydrophobicContact CE2-CZ 4.46Å; F120-F163 HydrophobicContact CG-CE2 4.42Å; F120-F163 AromaticContact CG-CZ 3.64Å; F120-F163 HydrophobicContact CG-CZ 3.64Å; F120-F163 HydrophobicContact CZ-CZ 4.5Å; F120-S165 VanDerWaalsContact CE2-OG 3.32Å; F120-S165 WeakPolarHBondContact CE2-OG 3.47Å; F120-L167 HydrophobicContact CE2-CD1 3.9Å; F120-L167 HydrophobicContact CE2-CG 4.33Å; F120-L167 HydrophobicContact CZ-CD1 4.18Å; F120-L167 HydrophobicContact CZ-CG 4.49Å |
| 121 | S | 96.9 | Very high | 94.7 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 144.5 | 174.6 | 67.4 | 0 | 0 | 0 | 0 | 112.6 | I112 T113 L144 | I112-S121 CarbonylContact C-O 3.58Å; I112-S121 WeakPolarHBondContact CA-O 3.26Å; T113-S121 PolarHBondContact N-O 3.31Å; T113-S121 PolarHBondContact O-N 3.42Å; T113-S121 PolarHBondContact O-OG 3.37Å; S121-L144 CarbonylContact C-O 3.47Å; S121-L144 VanDerWaalsContact CA-O 3.32Å; S121-L144 WeakPolarHBondContact CA-O 3.34Å |
| 122 | L | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.4 | -179.7 | -177.3 | 77.5 | 0 | 0 | 0 | 111 | L110 I112 V130 V132 P143 L144 L146 F152 | L110-L122 HydrophobicContact CB-CD1 3.97Å; L110-L122 HydrophobicContact CD1-CD1 4.27Å; L110-L122 HydrophobicContact CD2-CD1 4.34Å; L110-L122 HydrophobicContact CG-CD1 4.41Å; I112-L122 HydrophobicContact CD1-CD1 4.27Å; I112-L122 HydrophobicContact CG1-CD1 3.5Å; L122-V130 HydrophobicContact CD2-CG1 4.18Å; L122-V132 HydrophobicContact CD2-CG2 3.46Å; L122-V132 VanDerWaalsContact CD2-CG2 3.46Å; L122-P143 WeakPolarHBondContact O-CA 3.46Å; L122-L144 HydrophobicContact CB-CB 4.48Å; L122-L144 PolarHBondContact N-O 2.86Å; L122-L144 PolarHBondContact O-N 3.05Å; L122-L146 HydrophobicContact CB-CD1 4.11Å; L122-L146 HydrophobicContact CB-CD2 3.75Å; L122-L146 HydrophobicContact CB-CG 3.98Å; L122-L146 HydrophobicContact CD2-CD2 4.33Å; L122-F152 HydrophobicContact CD1-CZ 4.38Å; L122-F152 HydrophobicContact CD2-CD1 4.22Å; L122-F152 HydrophobicContact CD2-CE1 4.04Å |
| 123 | R | 97.5 | Very high | 94.6 | Very high | 122 Ų | 122 | 49.3 Ų | 49.3 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.9 | 172.2 | -172.7 | 178.6 | -68.2 | -113.1 | 3 | 110.7 | Q111 L125 | Q111-R123 HydrophobicContact CB-CB 4.47Å; Q111-R123 PolarHBondContact N-O 2.84Å; Q111-R123 PolarHBondContact O-N 2.93Å; R123-L125 HydrophobicContact CG-CD2 3.96Å; R123-L125 PolarHBondContact O-N 3.24Å |
| 124 | C | 97.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 49.7 Ų | 49.7 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 112.6 | 174.2 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | L110 R139 G140 | L110-C124 HydrophobicContact CD2-CB 4.49Å; C124-R139 WeakPolarHBondContact O-CA 3.37Å; C124-G140 PolarHBondContact O-N 3.35Å |
| 125 | L | 95.8 | Very high | 94.3 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | trans | -100.2 | -22.9 | 178.5 | -58.5 | 179.1 | 0 | 0 | 0 | 112.8 | R108 H109 Q111 R123 R139 | R108-L125 HydrophobicContact CB-CD1 4.18Å; H109-L125 CarbonylContact O-C 3.59Å; H109-L125 WeakPolarHBondContact O-CA 3.34Å; H109-L125 PolarHBondContact O-N 3.17Å; Q111-L125 HydrophobicContact CB-CD1 3.99Å; R123-L125 HydrophobicContact CG-CD2 3.96Å; R123-L125 PolarHBondContact O-N 3.24Å; L125-R139 VanDerWaalsContact O-CD 3.25Å; L125-R139 WeakPolarHBondContact O-CD 3.33Å; L125-R139 WeakPolarHBondContact O-CG 3.47Å; L125-R139 PolarHBondContact O-NE 3.26Å | ||
| 126 | G | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -83.7 | 143 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S106 H109 N128 G129 R139 | S106-G126 VanDerWaalsContact CB-CA 3.45Å; S106-G126 WeakPolarHBondContact OG-CA 3.4Å; H109-G126 PolarHBondContact O-N 3.16Å; G126-N128 PolarHBondContact O-N 3.46Å; G126-N128 VanDerWaalsContact O-N 3.1Å; G126-G129 PolarHBondContact O-N 3.25Å; G126-R139 WeakPolarHBondContact O-CB 3.3Å |
| 127 | K | 94.4 | Very high | 94.8 | Very high | 145 Ų | 145 | 48.5 Ų | 48.5 | 63% | 0.63 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.1 | -170.7 | 59.6 | 137.6 | -173.1 | 154 | 0 | 116.1 | S106 | S106-K127 PolarHBondContact OG-N 3.35Å; S106-K127 VanDerWaalsContact OG-N 3.08Å |
| 128 | N | 95.4 | Very high | 95.3 | Very high | 39 Ų | 39 | 52 Ų | 52 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -9.7 | -175.2 | -71.8 | 3.9 | 0 | 0 | 0 | 113.1 | F104 G126 F136 | F104-N128 WeakPolarHBondContact CA-ND2 3.46Å; F104-N128 PolarHBondContact O-ND2 3.34Å; G126-N128 PolarHBondContact O-N 3.46Å; G126-N128 VanDerWaalsContact O-N 3.1Å; N128-F136 WeakPolarHBondContact O-CE2 3.49Å; N128-F136 WeakPolarHBondContact O-CZ 3.1Å |
| 129 | G | 96 | Very high | 95.9 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | trans | 74.6 | -177.4 | -171 | 0 | 0 | 0 | 0 | 0 | 113.9 | H109 G126 Q137 P155 | H109-G129 PolarHBondContact NE2-O 2.96Å; G126-G129 PolarHBondContact O-N 3.25Å; G129-Q137 CarbonylContact C-O 3.53Å; G129-Q137 WeakPolarHBondContact CA-O 3.45Å; G129-P155 WeakPolarHBondContact O-CD 3.24Å | ||
| 130 | V | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.8 | 177.4 | 67 | 0 | 0 | 0 | 0 | 109.4 | L110 L122 V132 Q137 F152 | L110-V130 HydrophobicContact CD1-CG2 4.13Å; L110-V130 HydrophobicContact CD2-CB 3.86Å; L110-V130 HydrophobicContact CD2-CG1 3.65Å; L110-V130 HydrophobicContact CD2-CG2 4.23Å; L122-V130 HydrophobicContact CD2-CG1 4.18Å; V130-V132 HydrophobicContact CG1-CG2 4.21Å; V130-Q137 HydrophobicContact CG1-CB 4.12Å; V130-Q137 PolarHBondContact N-O 2.99Å; V130-Q137 PolarHBondContact O-N 3.31Å; V130-F152 HydrophobicContact CG2-CB 4.14Å |
| 131 | F | 97.6 | Very high | 95.7 | Very high | 50 Ų | 50 | 60 Ų | 60 | 22% | 0.219 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 131.3 | 164.1 | -63.1 | -89.8 | 0 | 0 | 0 | 109.4 | G134 V135 F136 F152 R153 P155 | F131-G134 WeakPolarHBondContact CD1-O 3.31Å; F131-V135 CarbonylContact C-O 3.54Å; F131-V135 VanDerWaalsContact CA-O 3.31Å; F131-V135 WeakPolarHBondContact CA-O 3.45Å; F131-F136 HydrophobicContact CD1-CB 3.84Å; F131-F136 HydrophobicContact CD1-CD2 4.09Å; F131-F136 HydrophobicContact CD1-CG 4.46Å; F131-F136 HydrophobicContact CD2-CD2 4.32Å; F131-F136 HydrophobicContact CE1-CB 3.74Å; F131-F136 AromaticContact CE1-CD2 3.89Å; F131-F136 HydrophobicContact CE1-CD2 3.89Å; F131-F136 HydrophobicContact CE1-CG 4.2Å; F131-F136 HydrophobicContact CE2-CD2 4.13Å; F131-F136 HydrophobicContact CG-CD2 4.31Å; F131-F136 AromaticContact CZ-CD2 3.91Å; F131-F136 HydrophobicContact CZ-CD2 3.91Å; F131-F152 CarbonylContact O-C 3.47Å; F131-F152 WeakPolarHBondContact O-CA 3.32Å; F131-R153 HydrophobicContact CB-CB 4.28Å; F131-R153 VanDerWaalsContact CE2-NH2 3.32Å; F131-R153 VanDerWaalsContact CG-NH2 3.29Å; F131-R153 PolarHBondContact N-O 3.49Å; F131-R153 PolarHBondContact O-N 3.1Å; F131-P155 HydrophobicContact CD2-CG 3.94Å; F131-P155 HydrophobicContact CE2-CB 4.1Å; F131-P155 HydrophobicContact CE2-CG 3.76Å |
| 132 | V | 97.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 113.7 | 169.5 | -171.5 | 0 | 0 | 0 | 0 | 106.4 | L122 V130 G134 V135 L144 L146 C150 F152 | L122-V132 HydrophobicContact CD2-CG2 3.46Å; L122-V132 VanDerWaalsContact CD2-CG2 3.46Å; V130-V132 HydrophobicContact CG1-CG2 4.21Å; V132-G134 PolarHBondContact O-N 3.42Å; V132-V135 PolarHBondContact N-O 3.23Å; V132-V135 WeakPolarHBondContact O-CA 3.39Å; V132-V135 WeakPolarHBondContact O-CB 3.5Å; V132-V135 PolarHBondContact O-N 3.47Å; V132-L144 HydrophobicContact CB-CD2 3.85Å; V132-L144 HydrophobicContact CG1-CD2 4.03Å; V132-L144 HydrophobicContact CG2-CD2 3.78Å; V132-L146 HydrophobicContact CG1-CD2 4.21Å; V132-C150 HydrophobicContact CG1-CB 4.08Å; V132-F152 HydrophobicContact CB-CD1 4.45Å; V132-F152 HydrophobicContact CG1-CD1 4.03Å; V132-F152 HydrophobicContact CG1-CE1 4.02Å; V132-F152 HydrophobicContact CG2-CD1 3.98Å; V132-F152 HydrophobicContact CG2-CE1 4.36Å |
| 133 | D | 94.9 | Very high | 95.4 | Very high | 93 Ų | 93 | 65.7 Ų | 65.7 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 32 | -175.6 | -53.6 | -40.2 | 0 | 0 | 0 | 114.3 | V135 C150 V151 | D133-V135 VanDerWaalsContact C-N 3.35Å; D133-C150 WeakPolarHBondContact OD1-CA 3.36Å; D133-C150 WeakPolarHBondContact OD2-CA 3.41Å; D133-C150 WeakPolarHBondContact OD2-CB 3.4Å; D133-V151 PolarHBondContact N-O 3.39Å; D133-V151 VanDerWaalsContact N-O 3.07Å; D133-V151 PolarHBondContact OD1-N 3.06Å |
| 134 | G | 90.7 | Very high | 95.4 | Very high | 49 Ų | 49 | 62 Ų | 62 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -15.9 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | F131 V132 | F131-G134 WeakPolarHBondContact CD1-O 3.31Å; V132-G134 PolarHBondContact O-N 3.42Å |
| 135 | V | 94.6 | Very high | 95.3 | Very high | 94 Ų | 94 | 66.1 Ų | 66.1 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 122.7 | 173.1 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | F131 V132 D133 Q137 | F131-V135 CarbonylContact C-O 3.54Å; F131-V135 VanDerWaalsContact CA-O 3.31Å; F131-V135 WeakPolarHBondContact CA-O 3.45Å; V132-V135 PolarHBondContact N-O 3.23Å; V132-V135 WeakPolarHBondContact O-CA 3.39Å; V132-V135 WeakPolarHBondContact O-CB 3.5Å; V132-V135 PolarHBondContact O-N 3.47Å; D133-V135 VanDerWaalsContact C-N 3.35Å; V135-Q137 PolarHBondContact O-N 3.43Å |
| 136 | F | 96.5 | Very high | 95.3 | Very high | 101 Ų | 101 | 64.5 Ų | 64.5 | 44% | 0.443 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 116.6 | -179.4 | -178.3 | -109.2 | 0 | 0 | 0 | 112.1 | N128 F131 R138 P155 | N128-F136 WeakPolarHBondContact O-CE2 3.49Å; N128-F136 WeakPolarHBondContact O-CZ 3.1Å; F131-F136 HydrophobicContact CD1-CB 3.84Å; F131-F136 HydrophobicContact CD1-CD2 4.09Å; F131-F136 HydrophobicContact CD1-CG 4.46Å; F131-F136 HydrophobicContact CD2-CD2 4.32Å; F131-F136 HydrophobicContact CE1-CB 3.74Å; F131-F136 AromaticContact CE1-CD2 3.89Å; F131-F136 HydrophobicContact CE1-CD2 3.89Å; F131-F136 HydrophobicContact CE1-CG 4.2Å; F131-F136 HydrophobicContact CE2-CD2 4.13Å; F131-F136 HydrophobicContact CG-CD2 4.31Å; F131-F136 AromaticContact CZ-CD2 3.91Å; F131-F136 HydrophobicContact CZ-CD2 3.91Å; F136-R138 HydrophobicContact CE1-CB 4.03Å; F136-P155 HydrophobicContact CE2-CG 3.9Å |
| 137 | Q | 97.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 67.7 Ų | 67.7 | 14% | 0.136 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128.9 | 169.6 | -95.3 | -70.9 | 42 | 0 | 0 | 112.6 | G129 V130 V135 P142 L144 | G129-Q137 CarbonylContact C-O 3.53Å; G129-Q137 WeakPolarHBondContact CA-O 3.45Å; V130-Q137 HydrophobicContact CG1-CB 4.12Å; V130-Q137 PolarHBondContact N-O 2.99Å; V130-Q137 PolarHBondContact O-N 3.31Å; V135-Q137 PolarHBondContact O-N 3.43Å; Q137-P142 PolarHBondContact NE2-O 2.94Å; Q137-P142 VanDerWaalsContact NE2-O 3.09Å; Q137-L144 HydrophobicContact CG-CB 4.31Å; Q137-L144 HydrophobicContact CG-CD2 4.17Å |
| 138 | R | 96.5 | Very high | 95.3 | Very high | 175 Ų | 175 | 67.9 Ų | 67.9 | 66% | 0.66 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -98.1 | 157.2 | -177.5 | 64.6 | -179.4 | 177.8 | 178.4 | -1.6 | 112.1 | F136 G140 A141 | F136-R138 HydrophobicContact CE1-CB 4.03Å; R138-G140 PolarHBondContact O-N 3.18Å; R138-A141 HydrophobicContact CG-CB 4.01Å; R138-A141 WeakPolarHBondContact O-CB 3.14Å; R138-A141 PolarHBondContact O-N 2.79Å |
| 139 | R | 95.9 | Very high | 95.4 | Very high | 176 Ų | 176 | 70.9 Ų | 70.9 | 66% | 0.664 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 127.5 | 174.5 | -172.5 | 174.9 | -177.5 | -120.7 | -6.3 | 111.2 | C124 L125 G126 A141 | C124-R139 WeakPolarHBondContact O-CA 3.37Å; L125-R139 VanDerWaalsContact O-CD 3.25Å; L125-R139 WeakPolarHBondContact O-CD 3.33Å; L125-R139 WeakPolarHBondContact O-CG 3.47Å; L125-R139 PolarHBondContact O-NE 3.26Å; G126-R139 WeakPolarHBondContact O-CB 3.3Å; R139-A141 VanDerWaalsContact C-N 3.3Å; R139-A141 PolarHBondContact O-N 2.87Å |
| 140 | G | 91.4 | Very high | 95.4 | Very high | 71 Ų | 71 | 71 Ų | 71 | 73% | 0.732 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 10.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | C124 R138 | C124-G140 PolarHBondContact O-N 3.35Å; R138-G140 PolarHBondContact O-N 3.18Å |
| 141 | A | 93.6 | Very high | 95.4 | Very high | 14 Ų | 14 | 73.3 Ų | 73.3 | 12% | 0.116 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 163 | 160.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R138 R139 | R138-A141 HydrophobicContact CG-CB 4.01Å; R138-A141 WeakPolarHBondContact O-CB 3.14Å; R138-A141 PolarHBondContact O-N 2.79Å; R139-A141 VanDerWaalsContact C-N 3.3Å; R139-A141 PolarHBondContact O-N 2.87Å |
| 142 | P | 94.4 | Very high | 95.5 | Very high | 101 Ų | 101 | 70.9 Ų | 70.9 | 66% | 0.656 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 152.9 | 170.3 | -24.7 | 35 | 0 | 0 | 0 | 111.9 | Q137 L144 | Q137-P142 PolarHBondContact NE2-O 2.94Å; Q137-P142 VanDerWaalsContact NE2-O 3.09Å; P142-L144 PolarHBondContact O-N 2.81Å |
| 143 | P | 95.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 34% | 0.344 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 129.6 | 170.8 | -22.6 | 34 | 0 | 0 | 0 | 110.5 | L122 | L122-P143 WeakPolarHBondContact O-CA 3.46Š|
| 144 | L | 95.9 | Very high | 95.5 | Very high | 44 Ų | 44 | 71.2 Ų | 71.2 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121.9 | 175.1 | -173.8 | 73.9 | 0 | 0 | 0 | 108.3 | S121 L122 V132 Q137 P142 | S121-L144 CarbonylContact C-O 3.47Å; S121-L144 VanDerWaalsContact CA-O 3.32Å; S121-L144 WeakPolarHBondContact CA-O 3.34Å; L122-L144 HydrophobicContact CB-CB 4.48Å; L122-L144 PolarHBondContact N-O 2.86Å; L122-L144 PolarHBondContact O-N 3.05Å; V132-L144 HydrophobicContact CB-CD2 3.85Å; V132-L144 HydrophobicContact CG1-CD2 4.03Å; V132-L144 HydrophobicContact CG2-CD2 3.78Å; Q137-L144 HydrophobicContact CG-CB 4.31Å; Q137-L144 HydrophobicContact CG-CD2 4.17Å; P142-L144 PolarHBondContact O-N 2.81Å |
| 145 | P | 96.1 | Very high | 95.6 | Very high | 94 Ų | 94 | 69.9 Ų | 69.9 | 61% | 0.61 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 136.7 | 168.1 | 27.6 | -33.6 | 0 | 0 | 0 | 109.2 | F120 | F120-P145 WeakPolarHBondContact O-CA 3.46Å |
| 146 | L | 95.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 70 Ų | 70 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 133.4 | -179.9 | -65.4 | -178.6 | 0 | 0 | 0 | 110.4 | I112 F120 L122 V132 F152 F163 | I112-L146 HydrophobicContact CG2-CD1 4.25Å; F120-L146 HydrophobicContact CB-CB 3.95Å; F120-L146 HydrophobicContact CB-CD1 4.3Å; F120-L146 PolarHBondContact O-N 3.47Å; L122-L146 HydrophobicContact CB-CD1 4.11Å; L122-L146 HydrophobicContact CB-CD2 3.75Å; L122-L146 HydrophobicContact CB-CG 3.98Å; L122-L146 HydrophobicContact CD2-CD2 4.33Å; V132-L146 HydrophobicContact CG1-CD2 4.21Å; L146-F152 HydrophobicContact CD1-CE1 4.23Å; L146-F152 HydrophobicContact CD1-CZ 3.76Å; L146-F152 HydrophobicContact CD2-CE1 3.79Å; L146-F152 HydrophobicContact CD2-CZ 4.2Å; L146-F163 HydrophobicContact CB-CE1 4.26Å; L146-F163 HydrophobicContact CD1-CD1 4.42Å; L146-F163 HydrophobicContact CD1-CD2 4.43Å; L146-F163 HydrophobicContact CD1-CE1 4.25Å; L146-F163 HydrophobicContact CD1-CE2 4.25Å; L146-F163 HydrophobicContact CD1-CZ 4.18Å |
| 147 | P | 94.8 | Very high | 95.1 | Very high | 68 Ų | 68 | 66.7 Ų | 66.7 | 44% | 0.442 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 172.5 | 168.6 | 33.3 | -37.3 | 0 | 0 | 0 | 110.7 | E149 C150 | P147-E149 WeakPolarHBondContact CG-O 3.22Å; P147-E149 PolarHBondContact O-N 2.77Å; P147-C150 HydrophobicContact CG-CB 3.86Å |
| 148 | R | 94 | Very high | 94.8 | Very high | 149 Ų | 149 | 71.2 Ų | 71.2 | 56% | 0.562 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -55.2 | -36.8 | 179.4 | -162.9 | -170.5 | -174.4 | -152.3 | 5.1 | 112.5 | T164 S165 | R148-T164 CarbonylContact O-C 3.57Å; R148-T164 WeakPolarHBondContact O-CA 3.46Å; R148-S165 PolarHBondContact O-N 2.83Å |
| 149 | E | 96.9 | Very high | 94.7 | Very high | 102 Ų | 102 | 65.1 Ų | 65.1 | 48% | 0.477 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 135.4 | 174.4 | -67 | -173.2 | -158.9 | 0 | 0 | 111.4 | P147 F163 T164 | P147-E149 WeakPolarHBondContact CG-O 3.22Å; P147-E149 PolarHBondContact O-N 2.77Å; E149-F163 VanDerWaalsContact CA-O 3.28Å; E149-F163 WeakPolarHBondContact CA-O 3.4Å; E149-T164 HydrophobicContact CG-CG2 3.95Å |
| 150 | C | 97.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 3% | 0.027 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 163.7 | 177.8 | 56.2 | 0 | 0 | 0 | 0 | 112.3 | V132 D133 P147 F152 F163 | V132-C150 HydrophobicContact CG1-CB 4.08Å; D133-C150 WeakPolarHBondContact OD1-CA 3.36Å; D133-C150 WeakPolarHBondContact OD2-CA 3.41Å; D133-C150 WeakPolarHBondContact OD2-CB 3.4Å; P147-C150 HydrophobicContact CG-CB 3.86Å; C150-F152 VanDerWaalsContact SG-CE1 3.54Å; C150-F163 PolarHBondContact N-O 2.92Å; C150-F163 VanDerWaalsContact N-O 3.11Å; C150-F163 PolarHBondContact O-N 3.26Å; C150-F163 VanDerWaalsContact SG-CD1 3.55Å |
| 151 | V | 97.7 | Very high | 94.9 | Very high | 47 Ų | 47 | 59.7 Ų | 59.7 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 119.5 | 178.8 | -178.3 | 0 | 0 | 0 | 0 | 111.8 | D133 K160 I161 Q162 | D133-V151 PolarHBondContact N-O 3.39Å; D133-V151 VanDerWaalsContact N-O 3.07Å; D133-V151 PolarHBondContact OD1-N 3.06Å; V151-K160 HydrophobicContact CG1-CB 4.14Å; V151-K160 HydrophobicContact CG1-CD 4.25Å; V151-K160 HydrophobicContact CG1-CG 4.36Å; V151-I161 CarbonylContact C-O 3.59Å; V151-I161 WeakPolarHBondContact CA-O 3.3Å; V151-Q162 HydrophobicContact CG2-CB 4.48Å; V151-Q162 HydrophobicContact CG2-CG 4.39Å |
| 152 | F | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 123.7 | 170.9 | -46 | -39.6 | 0 | 0 | 0 | 110.4 | L70 I112 L122 V130 F131 V132 L146 C150 K160 I161 F163 | L70-F152 HydrophobicContact CD2-CE2 4.18Å; I112-F152 HydrophobicContact CD1-CE2 3.67Å; I112-F152 HydrophobicContact CD1-CZ 4.04Å; L122-F152 HydrophobicContact CD1-CZ 4.38Å; L122-F152 HydrophobicContact CD2-CD1 4.22Å; L122-F152 HydrophobicContact CD2-CE1 4.04Å; V130-F152 HydrophobicContact CG2-CB 4.14Å; F131-F152 CarbonylContact O-C 3.47Å; F131-F152 WeakPolarHBondContact O-CA 3.32Å; V132-F152 HydrophobicContact CB-CD1 4.45Å; V132-F152 HydrophobicContact CG1-CD1 4.03Å; V132-F152 HydrophobicContact CG1-CE1 4.02Å; V132-F152 HydrophobicContact CG2-CD1 3.98Å; V132-F152 HydrophobicContact CG2-CE1 4.36Å; L146-F152 HydrophobicContact CD1-CE1 4.23Å; L146-F152 HydrophobicContact CD1-CZ 3.76Å; L146-F152 HydrophobicContact CD2-CE1 3.79Å; L146-F152 HydrophobicContact CD2-CZ 4.2Å; C150-F152 VanDerWaalsContact SG-CE1 3.54Å; F152-K160 CarbonylContact O-C 3.54Å; F152-K160 VanDerWaalsContact O-CA 3.24Å; F152-K160 WeakPolarHBondContact O-CA 3.42Å; F152-I161 HydrophobicContact CB-CB 4.4Å; F152-I161 HydrophobicContact CD2-CB 4.16Å; F152-I161 HydrophobicContact CD2-CG2 4.43Å; F152-I161 PolarHBondContact N-O 3.1Å; F152-I161 PolarHBondContact O-N 3.21Å; F152-F163 HydrophobicContact CE2-CB 3.76Å; F152-F163 HydrophobicContact CE2-CD2 4.39Å; F152-F163 HydrophobicContact CE2-CG 4.33Å; F152-F163 HydrophobicContact CZ-CB 3.67Å; F152-F163 HydrophobicContact CZ-CD2 4.24Å; F152-F163 AromaticContact CZ-CG 3.98Å; F152-F163 HydrophobicContact CZ-CG 3.98Å |
| 153 | R | 96.6 | Very high | 95.3 | Very high | 105 Ų | 105 | 58.4 Ų | 58.4 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 123.2 | 173.7 | -176.4 | -170 | 73.4 | -154.7 | 2.1 | 110.6 | F131 K160 | F131-R153 HydrophobicContact CB-CB 4.28Å; F131-R153 VanDerWaalsContact CE2-NH2 3.32Å; F131-R153 VanDerWaalsContact CG-NH2 3.29Å; F131-R153 PolarHBondContact N-O 3.49Å; F131-R153 PolarHBondContact O-N 3.1Å; R153-K160 HydrophobicContact CB-CG 4.47Å; R153-K160 HydrophobicContact CG-CG 4.36Å |
| 154 | F | 95.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | trans | -80.5 | 124.4 | 178.8 | -67 | -85.4 | 0 | 0 | 0 | 111.4 | I86 M99 I105 H109 L110 T157 I159 I161 | I86-F154 HydrophobicContact CG2-CZ 4.07Å; M99-F154 HydrophobicContact CE-CE2 4.13Å; M99-F154 HydrophobicContact CG-CE2 4.48Å; M99-F154 HydrophobicContact CG-CZ 4.46Å; I105-F154 HydrophobicContact CD1-CB 4.34Å; I105-F154 HydrophobicContact CD1-CD1 4.12Å; I105-F154 HydrophobicContact CD1-CD2 4.02Å; I105-F154 HydrophobicContact CD1-CE1 4.43Å; I105-F154 HydrophobicContact CD1-CE2 4.35Å; I105-F154 HydrophobicContact CD1-CG 3.89Å; I105-F154 HydrophobicContact CG1-CB 4.36Å; I105-F154 HydrophobicContact CG1-CD1 4Å; I105-F154 HydrophobicContact CG1-CE1 4.5Å; I105-F154 HydrophobicContact CG1-CG 4.11Å; H109-F154 HydrophobicContact CB-CE1 4.14Å; H109-F154 AromaticContact CE1-CD1 3.67Å; H109-F154 AromaticContact CG-CE1 3.69Å; H109-F154 AromaticContact ND1-CD1 3.66Å; H109-F154 AromaticContact ND1-CE1 3.67Å; L110-F154 HydrophobicContact CD1-CE1 3.88Å; L110-F154 HydrophobicContact CD1-CZ 3.68Å; L110-F154 HydrophobicContact CG-CE1 4.11Å; L110-F154 HydrophobicContact CG-CZ 4.3Å; F154-T157 HydrophobicContact CB-CG2 4.5Å; F154-T157 WeakPolarHBondContact CB-OG1 3.32Å; F154-T157 PolarHBondContact O-N 2.98Å; F154-T157 PolarHBondContact O-OG1 3.41Å; F154-I159 HydrophobicContact CD2-CB 4.15Å; F154-I159 HydrophobicContact CD2-CG2 3.73Å; F154-I159 HydrophobicContact CE2-CG2 4.16Å; F154-I159 PolarHBondContact N-O 2.91Å; F154-I159 VanDerWaalsContact N-O 3.12Å; F154-I161 HydrophobicContact CE2-CD1 3.85Å; F154-I161 HydrophobicContact CE2-CG1 4.22Å; F154-I161 HydrophobicContact CZ-CD1 4.31Å | ||
| 155 | P | 92.4 | Very high | 95.4 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 13% | 0.13 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 144.8 | 178.8 | -24.6 | 32.1 | 0 | 0 | 0 | 113 | G129 F131 F136 T157 | G129-P155 WeakPolarHBondContact O-CD 3.24Å; F131-P155 HydrophobicContact CD2-CG 3.94Å; F131-P155 HydrophobicContact CE2-CB 4.1Å; F131-P155 HydrophobicContact CE2-CG 3.76Å; F136-P155 HydrophobicContact CE2-CG 3.9Å; P155-T157 PolarHBondContact O-N 3.44Å |
| 156 | S | 90.1 | Very high | 95.3 | Very high | 97 Ų | 97 | 54 Ų | 54 | 68% | 0.678 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 23.8 | -176.8 | -51.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 157 | T | 91.1 | Very high | 95 | Very high | 32 Ų | 32 | 54.3 Ų | 54.3 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -140 | 162.7 | 172.3 | 77.7 | 0 | 0 | 0 | 0 | 111 | F104 F154 P155 I159 | F104-T157 HydrophobicContact CB-CG2 3.77Å; F104-T157 HydrophobicContact CD2-CG2 4.44Å; F104-T157 HydrophobicContact CG-CG2 4.34Å; F154-T157 HydrophobicContact CB-CG2 4.5Å; F154-T157 WeakPolarHBondContact CB-OG1 3.32Å; F154-T157 PolarHBondContact O-N 2.98Å; F154-T157 PolarHBondContact O-OG1 3.41Å; P155-T157 PolarHBondContact O-N 3.44Å; T157-I159 WeakPolarHBondContact OG1-CB 3.47Å; T157-I159 PolarHBondContact OG1-N 3.45Å |
| 158 | V | 91.5 | Very high | 94.1 | Very high | 124 Ų | 124 | 59.1 Ų | 59.1 | 75% | 0.752 | 30% | 0.296 | S | S | * | . | trans | -84.2 | 2.9 | 169.1 | -61 | 0 | 0 | 0 | 0 | 113.1 | K160 | V158-K160 PolarHBondContact O-N 3.24Š| ||
| 159 | I | 93.4 | Very high | 92.7 | Very high | 47 Ų | 47 | 57.4 Ų | 57.4 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | trans | -77.1 | 118.4 | -171.4 | -59.9 | 171.3 | 0 | 0 | 0 | 109.4 | M99 I105 F154 T157 | M99-I159 HydrophobicContact CE-CG2 3.37Å; I105-I159 HydrophobicContact CD1-CD1 3.73Å; F154-I159 HydrophobicContact CD2-CB 4.15Å; F154-I159 HydrophobicContact CD2-CG2 3.73Å; F154-I159 HydrophobicContact CE2-CG2 4.16Å; F154-I159 PolarHBondContact N-O 2.91Å; F154-I159 VanDerWaalsContact N-O 3.12Å; T157-I159 WeakPolarHBondContact OG1-CB 3.47Å; T157-I159 PolarHBondContact OG1-N 3.45Å | ||
| 160 | K | 95.4 | Very high | 90.8 | Very high | 133 Ų | 133 | 60.4 Ų | 60.4 | 58% | 0.578 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 150.5 | 168.4 | -62.6 | -178.7 | -178.4 | -178.1 | 0 | 109.7 | V151 F152 R153 V158 | V151-K160 HydrophobicContact CG1-CB 4.14Å; V151-K160 HydrophobicContact CG1-CD 4.25Å; V151-K160 HydrophobicContact CG1-CG 4.36Å; F152-K160 CarbonylContact O-C 3.54Å; F152-K160 VanDerWaalsContact O-CA 3.24Å; F152-K160 WeakPolarHBondContact O-CA 3.42Å; R153-K160 HydrophobicContact CB-CG 4.47Å; R153-K160 HydrophobicContact CG-CG 4.36Å; V158-K160 PolarHBondContact O-N 3.24Å |
| 161 | I | 97.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.7 | 164.1 | -50.5 | 177.3 | 0 | 0 | 0 | 106.7 | L70 E71 F75 I86 M99 V151 F152 F154 | L70-I161 HydrophobicContact CB-CG2 4.03Å; L70-I161 HydrophobicContact CD2-CG2 4.23Å; E71-I161 CarbonylContact O-C 3.49Å; E71-I161 VanDerWaalsContact O-CA 3.27Å; E71-I161 WeakPolarHBondContact O-CA 3.45Å; E71-I161 WeakPolarHBondContact O-CG2 3.47Å; F75-I161 HydrophobicContact CZ-CD1 4.17Å; F75-I161 HydrophobicContact CZ-CG1 4.12Å; F75-I161 HydrophobicContact CZ-CG2 4.46Å; I86-I161 HydrophobicContact CD1-CD1 4.03Å; I86-I161 HydrophobicContact CG2-CD1 3.86Å; M99-I161 HydrophobicContact CE-CD1 3.66Å; M99-I161 HydrophobicContact CE-CG1 3.87Å; M99-I161 HydrophobicContact SD-CD1 3.89Å; V151-I161 CarbonylContact C-O 3.59Å; V151-I161 WeakPolarHBondContact CA-O 3.3Å; F152-I161 HydrophobicContact CB-CB 4.4Å; F152-I161 HydrophobicContact CD2-CB 4.16Å; F152-I161 HydrophobicContact CD2-CG2 4.43Å; F152-I161 PolarHBondContact N-O 3.1Å; F152-I161 PolarHBondContact O-N 3.21Å; F154-I161 HydrophobicContact CE2-CD1 3.85Å; F154-I161 HydrophobicContact CE2-CG1 4.22Å; F154-I161 HydrophobicContact CZ-CD1 4.31Å |
| 162 | Q | 98 | Very high | 85.8 | Confident | 87 Ų | 87 | 73.3 Ų | 73.3 | 41% | 0.407 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 134.8 | 167.5 | -175.1 | 162.3 | -12.4 | 0 | 0 | 108.9 | L70 E71 V151 | L70-Q162 CarbonylContact C-O 3.52Å; L70-Q162 WeakPolarHBondContact CA-O 3.29Å; E71-Q162 PolarHBondContact N-O 3.22Å; E71-Q162 PolarHBondContact O-N 2.99Å; V151-Q162 HydrophobicContact CG2-CB 4.48Å; V151-Q162 HydrophobicContact CG2-CG 4.39Å |
| 163 | F | 98.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 136.6 | 177 | 167.1 | -85.5 | 0 | 0 | 0 | 108.7 | A68 R69 L70 I112 F120 L146 E149 C150 F152 | A68-F163 HydrophobicContact CB-CD2 4.23Å; A68-F163 HydrophobicContact CB-CE2 3.45Å; A68-F163 VanDerWaalsContact CB-CE2 3.45Å; A68-F163 HydrophobicContact CB-CZ 3.82Å; R69-F163 WeakPolarHBondContact O-CA 3.37Å; L70-F163 HydrophobicContact CD1-CD2 4.2Å; L70-F163 HydrophobicContact CD2-CD2 4.4Å; L70-F163 HydrophobicContact CG-CD2 4.07Å; I112-F163 HydrophobicContact CD1-CD2 4.37Å; I112-F163 HydrophobicContact CG2-CE2 4.47Å; F120-F163 HydrophobicContact CB-CZ 4.03Å; F120-F163 HydrophobicContact CD1-CE2 4.02Å; F120-F163 AromaticContact CD1-CZ 3.68Å; F120-F163 HydrophobicContact CD1-CZ 3.68Å; F120-F163 HydrophobicContact CD2-CZ 4.05Å; F120-F163 HydrophobicContact CE1-CE2 4.33Å; F120-F163 HydrophobicContact CE1-CZ 4.12Å; F120-F163 HydrophobicContact CE2-CZ 4.46Å; F120-F163 HydrophobicContact CG-CE2 4.42Å; F120-F163 AromaticContact CG-CZ 3.64Å; F120-F163 HydrophobicContact CG-CZ 3.64Å; F120-F163 HydrophobicContact CZ-CZ 4.5Å; L146-F163 HydrophobicContact CB-CE1 4.26Å; L146-F163 HydrophobicContact CD1-CD1 4.42Å; L146-F163 HydrophobicContact CD1-CD2 4.43Å; L146-F163 HydrophobicContact CD1-CE1 4.25Å; L146-F163 HydrophobicContact CD1-CE2 4.25Å; L146-F163 HydrophobicContact CD1-CZ 4.18Å; E149-F163 VanDerWaalsContact CA-O 3.28Å; E149-F163 WeakPolarHBondContact CA-O 3.4Å; C150-F163 PolarHBondContact N-O 2.92Å; C150-F163 VanDerWaalsContact N-O 3.11Å; C150-F163 PolarHBondContact O-N 3.26Å; C150-F163 VanDerWaalsContact SG-CD1 3.55Å; F152-F163 HydrophobicContact CE2-CB 3.76Å; F152-F163 HydrophobicContact CE2-CD2 4.39Å; F152-F163 HydrophobicContact CE2-CG 4.33Å; F152-F163 HydrophobicContact CZ-CB 3.67Å; F152-F163 HydrophobicContact CZ-CD2 4.24Å; F152-F163 AromaticContact CZ-CG 3.98Å; F152-F163 HydrophobicContact CZ-CG 3.98Å |
| 164 | T | 97.4 | Very high | 80.8 | Confident | 17 Ų | 17 | 86.9 Ų | 86.9 | 10% | 0.104 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 119.3 | 174.9 | -56.3 | 0 | 0 | 0 | 0 | 109 | A68 R69 R148 E149 L166 | A68-T164 CarbonylContact C-O 3.59Å; A68-T164 VanDerWaalsContact CA-O 3.26Å; A68-T164 WeakPolarHBondContact CA-O 3.32Å; A68-T164 WeakPolarHBondContact CB-O 3.42Å; R69-T164 PolarHBondContact N-O 2.87Å; R69-T164 PolarHBondContact O-N 2.99Å; R148-T164 CarbonylContact O-C 3.57Å; R148-T164 WeakPolarHBondContact O-CA 3.46Å; E149-T164 HydrophobicContact CG-CG2 3.95Å; T164-L166 PolarHBondContact O-N 3.01Å |
| 165 | S | 95.6 | Very high | 78.2 | Confident | 13 Ų | 13 | 96.3 Ų | 96.3 | 9% | 0.091 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 123.9 | 168.1 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | F120 R148 | F120-S165 VanDerWaalsContact CE2-OG 3.32Å; F120-S165 WeakPolarHBondContact CE2-OG 3.47Å; R148-S165 PolarHBondContact O-N 2.83Å |
| 166 | L | 93.8 | Very high | 75.9 | Confident | 68 Ų | 68 | 103.8 Ų | 103.8 | 36% | 0.356 | 51% | 0.505 | S | S | . | . | trans | -93.7 | -7.4 | 177.1 | -63.4 | 176.3 | 0 | 0 | 0 | 112.3 | A66 L67 R69 V78 T164 E168 | A66-L166 HydrophobicContact CB-CD1 3.79Å; L67-L166 PolarHBondContact O-N 3.07Å; R69-L166 HydrophobicContact CB-CD1 4.1Å; R69-L166 HydrophobicContact CB-CD2 4.38Å; R69-L166 HydrophobicContact CB-CG 4.29Å; V78-L166 HydrophobicContact CG1-CD1 4.22Å; T164-L166 PolarHBondContact O-N 3.01Å; L166-E168 PolarHBondContact O-N 2.82Å | ||
| 167 | L | 89.6 | Confident | 73.8 | Confident | 26 Ų | 26 | 107.5 Ų | 107.5 | 14% | 0.136 | 51% | 0.512 | C | S | . | . | S | Bend | trans | -64.2 | 125.8 | 165.5 | -58.6 | -179.6 | 0 | 0 | 0 | 108.8 | L67 Y114 F120 V169 | L67-L167 HydrophobicContact CD2-CD2 4Å; L67-L167 PolarHBondContact O-N 2.94Å; Y114-L167 HydrophobicContact CD2-CD1 3.96Å; Y114-L167 HydrophobicContact CE1-CD1 4.17Å; Y114-L167 HydrophobicContact CE2-CD1 3.23Å; Y114-L167 WeakPolarHBondContact OH-CD1 3.46Å; F120-L167 HydrophobicContact CE2-CD1 3.9Å; F120-L167 HydrophobicContact CE2-CG 4.33Å; F120-L167 HydrophobicContact CZ-CD1 4.18Å; F120-L167 HydrophobicContact CZ-CG 4.49Å; L167-V169 PolarHBondContact O-N 3.04Å |
| 168 | E | 76.2 | Confident | 71.6 | Confident | 169 Ų | 169 | 111.6 Ų | 111.6 | 79% | 0.79 | 54% | 0.538 | S | S | * | . | trans | -62.8 | 130 | 158 | -65.9 | -178.9 | 168.1 | 0 | 0 | 106.7 | L166 E170 | L166-E168 PolarHBondContact O-N 2.82Å; E168-E170 VanDerWaalsContact C-N 3.32Å; E168-E170 PolarHBondContact O-N 2.94Å; E168-E170 VanDerWaalsContact O-N 3.08Å | ||
| 169 | V | 65.2 | Low | 69.3 | Low | 114 Ų | 114 | 110.2 Ų | 110.2 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | trans | -68.2 | 107 | 158.5 | 178.4 | 0 | 0 | 0 | 0 | 103.3 | L167 E171 | L167-V169 PolarHBondContact O-N 3.04Å; V169-E171 HydrophobicContact CG1-CG 4.23Å; V169-E171 PolarHBondContact O-N 2.82Å | ||
| 170 | E | 56 | Low | 67.7 | Low | 165 Ų | 165 | 113.4 Ų | 113.4 | 77% | 0.771 | 56% | 0.558 | S | S | * | * | trans | -61.1 | 90.7 | 155.8 | -78.5 | -167.2 | 170.3 | 0 | 0 | 105.6 | E168 H172 | E168-E170 VanDerWaalsContact C-N 3.32Å; E168-E170 PolarHBondContact O-N 2.94Å; E168-E170 VanDerWaalsContact O-N 3.08Å; E170-H172 PolarHBondContact O-N 2.98Å | ||
| 171 | E | 47.9 | Very low | 66 | Low | 161 Ų | 161 | 112.4 Ų | 112.4 | 75% | 0.752 | 57% | 0.565 | S | S | * | * | trans | -57.2 | 92.9 | 151.9 | -72.7 | -172.6 | 165.2 | 0 | 0 | 105.1 | V169 R173 | V169-E171 HydrophobicContact CG1-CG 4.23Å; V169-E171 PolarHBondContact O-N 2.82Å; E171-R173 PolarHBondContact O-N 3.03Å | ||
| 172 | H | 42.9 | Very low | 63.5 | Low | 161 Ų | 161 | 118.4 Ų | 118.4 | 75% | 0.745 | 60% | 0.604 | S | S | * | * | trans | -47.3 | 82.2 | 130.1 | -86.1 | -94.6 | 0 | 0 | 0 | 107.6 | E170 E174 | E170-H172 PolarHBondContact O-N 2.98Å; H172-E174 PolarHBondContact O-N 3.42Å | ||
| 173 | R | 45 | Very low | 61.4 | Low | 221 Ų | 221 | 125.1 Ų | 125.1 | 83% | 0.834 | 63% | 0.626 | S | S | * | * | -28.3 | 87.1 | 104.4 | -73.9 | 179.6 | 164.2 | -180 | -6 | 108.6 | E171 K175 | E171-R173 PolarHBondContact O-N 3.03Å; R173-K175 PolarHBondContact O-N 3.16Å | |||
| 174 | E | 43.8 | Very low | 58.8 | Low | 168 Ų | 168 | 130.7 Ų | 130.7 | 79% | 0.785 | 66% | 0.662 | S | S | * | * | -36 | 126.9 | 129.9 | -66.6 | -168.5 | 121.8 | 0 | 0 | 106.2 | H172 E176 | H172-E174 PolarHBondContact O-N 3.42Å; E174-E176 VanDerWaalsContact C-N 3.27Å; E174-E176 PolarHBondContact O-N 3.03Å | |||
| 175 | K | 41.5 | Very low | 56.1 | Low | 200 Ų | 200 | 138.2 Ų | 138.2 | 87% | 0.87 | 70% | 0.701 | S | S | * | * | trans | -60.5 | 105.6 | 169.2 | -75.7 | 177.3 | 177 | 174.6 | 0 | 105 | R173 Q177 | R173-K175 PolarHBondContact O-N 3.16Å; K175-Q177 PolarHBondContact O-N 3.11Å | ||
| 176 | E | 44.5 | Very low | 54 | Low | 177 Ų | 177 | 144.7 Ų | 144.7 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | trans | -52.9 | 96.3 | 156.6 | -78 | -169.2 | 108.2 | 0 | 0 | 105.3 | E174 P178 | E174-E176 VanDerWaalsContact C-N 3.27Å; E174-E176 PolarHBondContact O-N 3.03Å; E176-P178 WeakPolarHBondContact O-CD 3.49Å; E176-P178 VanDerWaalsContact O-N 3.11Å | ||
| 177 | Q | 46.5 | Very low | 51.8 | Low | 175 Ų | 175 | 146.7 Ų | 146.7 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -57.9 | 116.6 | 166.4 | -176.6 | 178 | 21.9 | 0 | 0 | 104 | K175 S179 | K175-Q177 PolarHBondContact O-N 3.11Å; Q177-S179 PolarHBondContact O-N 3.33Å | ||
| 178 | P | 44.5 | Very low | 49.6 | Very low | 117 Ų | 117 | 153 Ų | 153 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -56.9 | 113.2 | -161.7 | 18.9 | -32.2 | 0 | 0 | 0 | 109.2 | E176 | E176-P178 WeakPolarHBondContact O-CD 3.49Å; E176-P178 VanDerWaalsContact O-N 3.11Å | ||
| 179 | S | 43.1 | Very low | 48.6 | Very low | 96 Ų | 96 | 151.8 Ų | 151.8 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -63 | 132.6 | -176.7 | 47.4 | 0 | 0 | 0 | 0 | 108.3 | Q177 | Q177-S179 PolarHBondContact O-N 3.33Š|
| 180 | P | 59.6 | Low | 47.7 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 144 | 179.2 | 25.4 | -33.5 | 0 | 0 | 0 | 109.2 | ||
| 181 | P | 59.6 | Low | 47.4 | Very low | 111 Ų | 111 | 148 Ų | 148 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 146.7 | -166.4 | 21.4 | -33.8 | 0 | 0 | 0 | 112.5 | R183 | P181-R183 PolarHBondContact O-N 3.25Å; P181-R183 VanDerWaalsContact O-N 3.1Å |
| 182 | P | 45.4 | Very low | 47.3 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 117.3 | -172.7 | 23.9 | -34.1 | 0 | 0 | 0 | 110.8 | ||
| 183 | R | 52.5 | Low | 47.4 | Very low | 227 Ų | 227 | 150 Ų | 150 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 133.3 | 172.2 | -64.3 | -179.1 | -177.8 | 172.2 | 0.8 | 108.7 | P181 L185 | P181-R183 PolarHBondContact O-N 3.25Å; P181-R183 VanDerWaalsContact O-N 3.1Å; R183-L185 PolarHBondContact O-N 3.18Å |
| 184 | P | 44.7 | Very low | 47.6 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 129.6 | 176.9 | 26 | -33.5 | 0 | 0 | 0 | 110.3 | L186 | P184-L186 PolarHBondContact O-N 3.29Š|
| 185 | L | 39.5 | Very low | 47.8 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | trans | -75.8 | 89.6 | 177.5 | -68.4 | 176.2 | 0 | 0 | 0 | 110.5 | R183 | R183-L185 PolarHBondContact O-N 3.18Š| ||
| 186 | L | 51.9 | Low | 48.5 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | trans | -71.3 | 132.7 | 161.7 | -84 | 165.4 | 0 | 0 | 0 | 109.6 | P184 H188 | P184-L186 PolarHBondContact O-N 3.29Å; L186-H188 VanDerWaalsContact C-N 3.26Å; L186-H188 PolarHBondContact O-N 2.75Å | ||
| 187 | P | 47.4 | Very low | 48.4 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 71% | 0.714 | 76% | 0.759 | S | S | * | * | trans | -78.5 | 71.9 | -179.8 | 33.2 | -35.8 | 0 | 0 | 0 | 111 | I189 | P187-I189 PolarHBondContact O-N 2.85Š| ||
| 188 | H | 43.9 | Very low | 49 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | -75.9 | 74.1 | 173.6 | -169.2 | -70 | 0 | 0 | 0 | 110.9 | L186 S190 | L186-H188 VanDerWaalsContact C-N 3.26Å; L186-H188 PolarHBondContact O-N 2.75Å; H188-S190 PolarHBondContact O-N 3.12Å; H188-S190 VanDerWaalsContact O-N 3.14Å | ||
| 189 | I | 54.8 | Low | 49.5 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | -69.6 | 105.2 | 170.3 | -53.3 | 170.8 | 0 | 0 | 0 | 107.6 | P187 P191 | P187-I189 PolarHBondContact O-N 2.85Å; I189-P191 WeakPolarHBondContact O-CD 3.48Å | ||
| 190 | S | 47.4 | Very low | 50 | Low | 83 Ų | 83 | 136.4 Ų | 136.4 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 118.7 | 171.4 | -59.5 | 0 | 0 | 0 | 0 | 109.3 | H188 L192 | H188-S190 PolarHBondContact O-N 3.12Å; H188-S190 VanDerWaalsContact O-N 3.14Å; S190-L192 PolarHBondContact O-N 3.29Å |
| 191 | P | 48.2 | Very low | 49.5 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 126.6 | -177.1 | 25.6 | -33.3 | 0 | 0 | 0 | 110.4 | I189 K193 | I189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-K193 PolarHBondContact O-N 3.38Å |
| 192 | L | 46.5 | Very low | 49 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122.8 | 175.2 | -67.9 | 173.2 | 0 | 0 | 0 | 109.4 | S190 I194 | S190-L192 PolarHBondContact O-N 3.29Å; L192-I194 VanDerWaalsContact C-N 3.27Å; L192-I194 PolarHBondContact O-N 3.42Å |
| 193 | K | 44.9 | Very low | 49.3 | Very low | 209 Ų | 209 | 141.2 Ų | 141.2 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -76.8 | 77.3 | -179.8 | -167.6 | 177.9 | -176.9 | 179.7 | 0 | 110.3 | P191 S195 | P191-K193 PolarHBondContact O-N 3.38Å; K193-S195 PolarHBondContact O-N 3.37Å; K193-S195 VanDerWaalsContact O-N 3.08Å | ||
| 194 | I | 49.5 | Very low | 49.3 | Very low | 139 Ų | 139 | 139 Ų | 139 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -66 | 105.8 | 177.2 | -60.5 | 162.3 | 0 | 0 | 0 | 109 | L192 I196 | L192-I194 VanDerWaalsContact C-N 3.27Å; L192-I194 PolarHBondContact O-N 3.42Å; I194-I196 HydrophobicContact CG2-CG1 3.9Å; I194-I196 PolarHBondContact O-N 3.18Å | ||
| 195 | S | 47.7 | Very low | 49.3 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -77 | 96 | 166.6 | 53.3 | 0 | 0 | 0 | 0 | 109.3 | K193 P197 | K193-S195 PolarHBondContact O-N 3.37Å; K193-S195 VanDerWaalsContact O-N 3.08Å; S195-P197 VanDerWaalsContact O-CD 3.32Å; S195-P197 WeakPolarHBondContact O-CD 3.25Å | ||
| 196 | I | 56.9 | Low | 50 | Low | 145 Ų | 145 | 137.6 Ų | 137.6 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 118.7 | 174.3 | -56 | 175.3 | 0 | 0 | 0 | 108.4 | I194 | I194-I196 HydrophobicContact CG2-CG1 3.9Å; I194-I196 PolarHBondContact O-N 3.18Å |
| 197 | P | 42.1 | Very low | 50.1 | Low | 100 Ų | 100 | 141.4 Ų | 141.4 | 65% | 0.649 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 134.6 | 171.6 | -15.4 | 31.5 | 0 | 0 | 0 | 110 | S195 | S195-P197 VanDerWaalsContact O-CD 3.32Å; S195-P197 WeakPolarHBondContact O-CD 3.25Å |
| 198 | T | 58.2 | Low | 50.2 | Low | 105 Ų | 105 | 138.7 Ų | 138.7 | 64% | 0.644 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 144.1 | 179.8 | -30.5 | 0 | 0 | 0 | 0 | 110.8 | Q200 Q201 | T198-Q200 PolarHBondContact O-N 2.83Å; T198-Q201 PolarHBondContact O-N 3.46Å |
| 199 | A | 55.2 | Low | 50.3 | Low | 92 Ų | 92 | 141.1 Ų | 141.1 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -0.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 200 | Q | 54.6 | Low | 49.5 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -6.9 | 177.5 | -69.5 | 177.5 | -36.3 | 0 | 0 | 114.2 | T198 | T198-Q200 PolarHBondContact O-N 2.83Š|
| 201 | Q | 49.3 | Very low | 49.1 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -100.5 | 3.1 | 174.5 | -64.5 | -168.9 | -59.5 | 0 | 0 | 113.7 | T198 | T198-Q201 PolarHBondContact O-N 3.46Š|
| 202 | H | 48.1 | Very low | 49 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 60% | 0.602 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -83.5 | -30 | -175.2 | -164 | 24.8 | 0 | 0 | 0 | 113.2 | I206 | H202-I206 WeakPolarHBondContact O-CD1 3.17Å; H202-I206 WeakPolarHBondContact O-CG1 3.29Å |
| 203 | E | 52.3 | Low | 48.8 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -27.7 | -164.1 | -160.2 | 158.8 | -148.1 | 0 | 0 | 114.3 | ||
| 204 | E | 53 | Low | 49.1 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -33.9 | 175.1 | -64.6 | -165.1 | 130.9 | 0 | 0 | 112.9 | ||
| 205 | H | 45 | Very low | 48.7 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 70% | 0.704 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -81.1 | -19.5 | -171.1 | -149.2 | -179.5 | 0 | 0 | 0 | 113.6 | R207 A208 | H205-R207 PolarHBondContact O-N 3.08Å; H205-A208 PolarHBondContact O-N 3.35Å |
| 206 | I | 52.6 | Low | 48.9 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 56% | 0.564 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -65.1 | -21.3 | -179 | -72.5 | 165.2 | 0 | 0 | 0 | 113 | H202 A208 | H202-I206 WeakPolarHBondContact O-CD1 3.17Å; H202-I206 WeakPolarHBondContact O-CG1 3.29Å; I206-A208 PolarHBondContact O-N 3.5Å |
| 207 | R | 54.6 | Low | 48.1 | Very low | 230 Ų | 230 | 134.7 Ų | 134.7 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -85.7 | 2.4 | -177.6 | -68.2 | -163 | -73.1 | 172.1 | -4.8 | 115.2 | H205 | H205-R207 PolarHBondContact O-N 3.08Š|
| 208 | A | 50.1 | Low | 47.9 | Very low | 53 Ų | 53 | 133.4 Ų | 133.4 | 44% | 0.438 | 75% | 0.753 | S | S | . | * | S | Bend | trans | -114.2 | 70.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.3 | H205 I206 | H205-A208 PolarHBondContact O-N 3.35Å; I206-A208 PolarHBondContact O-N 3.5Å |
| 209 | F | 45.2 | Very low | 47.1 | Very low | 210 Ų | 210 | 135 Ų | 135 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | 65.4 | 139.1 | 173 | -43 | -84.7 | 0 | 0 | 0 | 114.5 | ||||
| 210 | G | 38.8 | Very low | 46.2 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | cis | 144.6 | 87.3 | 15.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 211 | S | 37.6 | Very low | 45.5 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -59.7 | 143.4 | -162.5 | 54.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 212 | P | 46.5 | Very low | 45 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | trans | -101.3 | 136.2 | 159.2 | 35.6 | -29.4 | 0 | 0 | 0 | 113.5 | ||||
| 213 | L | 43.7 | Very low | 44.9 | Very low | 165 Ų | 165 | 132 Ų | 132 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -152.6 | 158.5 | 165 | -78.2 | 178.8 | 0 | 0 | 0 | 107.7 | ||||
| 214 | P | 51 | Low | 44.3 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | cis | -126.3 | -170 | -23.8 | 38 | -21.2 | 0 | 0 | 0 | 112 | ||||
| 215 | S | 41.4 | Very low | 43.5 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -68.6 | 166.4 | 171.8 | -45 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 216 | P | 51.3 | Low | 43.1 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | -149.1 | 158.2 | 105.8 | 39 | -23.8 | 0 | 0 | 0 | 117.7 | |||||
| 217 | T | 40.2 | Very low | 43.1 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 15 | 128 | 140 | -47.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 218 | G | 37 | Very low | 42.2 | Very low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | -169.7 | 120.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 219 | T | 40.9 | Very low | 41.3 | Very low | 139 Ų | 139 | 124 Ų | 124 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -65.7 | 134.7 | 175.6 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 220 | I | 37.4 | Very low | 41.4 | Very low | 163 Ų | 163 | 120.2 Ų | 120.2 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -131 | 124.6 | 161.4 | -64.6 | -175.1 | 0 | 0 | 0 | 110.6 | ||||
| 221 | S | 38.9 | Very low | 41.4 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 164 | 175.5 | 53.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 222 | V | 39.6 | Very low | 41.2 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 127.7 | -176.4 | -174.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 223 | P | 46.3 | Very low | 40.7 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 132.6 | 163.3 | -14.7 | 30.7 | 0 | 0 | 0 | 111.8 | ||
| 224 | N | 38.9 | Very low | 40.1 | Very low | 151 Ų | 151 | 122.6 Ų | 122.6 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 128.4 | 177.9 | -70.2 | -63.2 | 0 | 0 | 0 | 112.3 | C226 | N224-C226 PolarHBondContact O-N 3.31Š|
| 225 | S | 36.3 | Very low | 39.5 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -89.3 | 99.2 | 175.4 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 226 | C | 37.4 | Very low | 39.2 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | trans | -121.4 | 103.1 | 172.8 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | N224 A228 | N224-C226 PolarHBondContact O-N 3.31Å; C226-A228 PolarHBondContact O-N 3.34Å | ||
| 227 | P | 52.3 | Low | 38.5 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -80.6 | 98.9 | 175.5 | 31 | -32.1 | 0 | 0 | 0 | 111.1 | ||||
| 228 | A | 35.1 | Very low | 38.3 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 148.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | C226 | C226-A228 PolarHBondContact O-N 3.34Š|
| 229 | S | 31.7 | Very low | 38.4 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 136.4 | -174.4 | -51.1 | 0 | 0 | 0 | 0 | 113.5 | R231 | S229-R231 PolarHBondContact O-N 3.16Š|
| 230 | P | 48.1 | Very low | 38.1 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 120.4 | 167.1 | 30.6 | -32.1 | 0 | 0 | 0 | 110.6 | ||
| 231 | R | 37.6 | Very low | 38.4 | Very low | 253 Ų | 253 | 133.3 Ų | 133.3 | 96% | 0.955 | 82% | 0.817 | S | S | * | * | trans | -103 | 108.5 | 164.3 | -160.3 | 172.1 | -172.6 | 157.8 | -0.7 | 106.5 | S229 | S229-R231 PolarHBondContact O-N 3.16Š| ||
| 232 | G | 33.9 | Very low | 38.6 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | -87.3 | 162.7 | -153.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 233 | A | 36.6 | Very low | 39.2 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -155.4 | 160.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 234 | G | 31 | Very low | 39.7 | Very low | 82 Ų | 82 | 140.2 Ų | 140.2 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 116.7 | 114.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 235 | S | 37.6 | Very low | 40.6 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -91.4 | 170.6 | -177.5 | -169.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 236 | S | 35.8 | Very low | 41.8 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | 74.7 | 130.9 | 170.7 | -152.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 237 | G | 34.9 | Very low | 42.7 | Very low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 79% | 0.793 | S | S | * | * | cis | 166.5 | 127.4 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 238 | Y | 36.1 | Very low | 43.3 | Very low | 238 Ų | 238 | 135.7 Ų | 135.7 | 93% | 0.933 | 78% | 0.783 | S | S | * | * | trans | -143.9 | 122.4 | 161.2 | -125.4 | -94.4 | 0 | 0 | 0 | 108.7 | ||||
| 239 | R | 39.1 | Very low | 45.2 | Very low | 244 Ų | 244 | 137.8 Ų | 137.8 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -109.5 | 127.4 | 177 | -71.8 | -160.1 | -77.2 | -155.6 | -2.1 | 109.9 | ||||
| 240 | Y | 36.3 | Very low | 47.2 | Very low | 235 Ų | 235 | 136.6 Ų | 136.6 | 92% | 0.922 | 76% | 0.761 | S | S | * | * | trans | -126.9 | 133.1 | 149 | -144.7 | -96.7 | 0 | 0 | 0 | 108.3 | ||||
| 241 | G | 42.1 | Very low | 48.3 | Very low | 64 Ų | 64 | 133.2 Ų | 133.2 | 66% | 0.66 | 74% | 0.744 | S | S | * | * | trans | -85 | 138.6 | -161.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 242 | R | 42.9 | Very low | 50 | Low | 234 Ų | 234 | 124.1 Ų | 124.1 | 88% | 0.883 | 72% | 0.723 | S | S | * | * | trans | -134 | 137.5 | 149.2 | -86.6 | -169.4 | 169.1 | -167.9 | -3.4 | 109.2 | V244 | R242-V244 PolarHBondContact O-N 3.42Å; R242-V244 VanDerWaalsContact O-N 3.14Å | ||
| 243 | N | 54.1 | Low | 51.9 | Low | 130 Ų | 130 | 127.1 Ų | 127.1 | 70% | 0.695 | 72% | 0.716 | S | S | * | * | trans | -82.9 | 91.9 | -174 | -65 | -22.5 | 0 | 0 | 0 | 110.3 | T245 S246 | N243-T245 PolarHBondContact O-N 2.69Å; N243-T245 VanDerWaalsContact O-N 3.14Å; N243-S246 PolarHBondContact O-OG 3.09Å | ||
| 244 | V | 56.5 | Low | 53.9 | Low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -62.6 | -19.2 | -178.8 | -177.9 | 0 | 0 | 0 | 0 | 112.7 | R242 L248 | R242-V244 PolarHBondContact O-N 3.42Å; R242-V244 VanDerWaalsContact O-N 3.14Å; V244-L248 WeakPolarHBondContact O-CB 3.14Å; V244-L248 PolarHBondContact O-N 3.06Å |
| 245 | T | 57.2 | Low | 55.8 | Low | 99 Ų | 99 | 128.8 Ų | 128.8 | 61% | 0.607 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -65.8 | -49.5 | -179.5 | 45.5 | 0 | 0 | 0 | 0 | 113.4 | N243 D247 L248 Q249 | N243-T245 PolarHBondContact O-N 2.69Å; N243-T245 VanDerWaalsContact O-N 3.14Å; T245-D247 PolarHBondContact O-N 3.06Å; T245-L248 PolarHBondContact O-N 2.94Å; T245-Q249 PolarHBondContact O-N 3.22Å; T245-Q249 PolarHBondContact O-OE1 2.9Å |
| 246 | S | 60.8 | Low | 57.4 | Low | 77 Ų | 77 | 125.9 Ų | 125.9 | 54% | 0.538 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -66.8 | -37.2 | -175.4 | 55.1 | 0 | 0 | 0 | 0 | 112.9 | N243 Q249 L250 | N243-S246 PolarHBondContact O-OG 3.09Å; S246-Q249 PolarHBondContact O-N 2.81Å; S246-L250 WeakPolarHBondContact O-CB 2.96Å; S246-L250 PolarHBondContact O-N 2.98Å |
| 247 | D | 56.6 | Low | 59.2 | Low | 121 Ų | 121 | 125.7 Ų | 125.7 | 65% | 0.647 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.3 | -39.9 | 179.7 | -136.3 | 4.8 | 0 | 0 | 0 | 110.9 | T245 A251 | T245-D247 PolarHBondContact O-N 3.06Å; D247-A251 WeakPolarHBondContact O-CB 3.37Å; D247-A251 PolarHBondContact O-N 2.95Å |
| 248 | L | 66 | Low | 61 | Low | 124 Ų | 124 | 125.1 Ų | 125.1 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.5 | -38.2 | 174.9 | -174.2 | 62.6 | 0 | 0 | 0 | 112.4 | V244 T245 A252 | V244-L248 WeakPolarHBondContact O-CB 3.14Å; V244-L248 PolarHBondContact O-N 3.06Å; T245-L248 PolarHBondContact O-N 2.94Å; L248-A252 WeakPolarHBondContact O-CB 3.49Å; L248-A252 PolarHBondContact O-N 3.18Å; L248-A252 VanDerWaalsContact O-N 3.1Å |
| 249 | Q | 73.4 | Confident | 62.6 | Low | 139 Ų | 139 | 118.6 Ų | 118.6 | 65% | 0.65 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.6 | -48.8 | 173.8 | -133.8 | 96.7 | -1.6 | 0 | 0 | 110.8 | T245 S246 A251 A252 E253 | T245-Q249 PolarHBondContact O-N 3.22Å; T245-Q249 PolarHBondContact O-OE1 2.9Å; S246-Q249 PolarHBondContact O-N 2.81Å; Q249-A251 PolarHBondContact O-N 3.04Å; Q249-A252 PolarHBondContact O-N 3.28Å; Q249-E253 PolarHBondContact O-N 3.25Å |
| 250 | L | 74.4 | Confident | 64.2 | Low | 90 Ų | 90 | 109.6 Ų | 109.6 | 47% | 0.471 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.1 | -42.4 | -179.1 | -174.7 | 63.6 | 0 | 0 | 0 | 111.9 | S246 A252 E253 Y254 | S246-L250 WeakPolarHBondContact O-CB 2.96Å; S246-L250 PolarHBondContact O-N 2.98Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 2.99Å; L250-E253 PolarHBondContact O-N 3.13Å; L250-Y254 HydrophobicContact CD1-CD2 4Å; L250-Y254 HydrophobicContact CD1-CE2 3.93Å; L250-Y254 HydrophobicContact CG-CD2 4.19Å; L250-Y254 HydrophobicContact CG-CE2 4.32Å; L250-Y254 PolarHBondContact O-N 3.49Å |
| 251 | A | 71.3 | Confident | 65.6 | Low | 59 Ų | 59 | 102.6 Ų | 102.6 | 49% | 0.488 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.3 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | D247 Q249 A255 | D247-A251 WeakPolarHBondContact O-CB 3.37Å; D247-A251 PolarHBondContact O-N 2.95Å; Q249-A251 PolarHBondContact O-N 3.04Å; A251-A255 PolarHBondContact O-N 2.66Å |
| 252 | A | 72.4 | Confident | 66.4 | Low | 62 Ų | 62 | 106.1 Ų | 106.1 | 51% | 0.512 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.4 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | L248 Q249 L250 A255 A256 | L248-A252 WeakPolarHBondContact O-CB 3.49Å; L248-A252 PolarHBondContact O-N 3.18Å; L248-A252 VanDerWaalsContact O-N 3.1Å; Q249-A252 PolarHBondContact O-N 3.28Å; L250-A252 VanDerWaalsContact C-N 3.33Å; L250-A252 PolarHBondContact O-N 2.99Å; A252-A255 PolarHBondContact O-N 2.89Å; A252-A256 PolarHBondContact O-N 2.84Å |
| 253 | E | 74.8 | Confident | 67.2 | Low | 138 Ų | 138 | 104.5 Ų | 104.5 | 65% | 0.645 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.6 | -40.8 | 179.3 | -171.3 | 164.2 | -161.5 | 0 | 0 | 112.5 | Q249 L250 A255 A256 K257 | Q249-E253 PolarHBondContact O-N 3.25Å; L250-E253 PolarHBondContact O-N 3.13Å; E253-A255 VanDerWaalsContact C-N 3.32Å; E253-A255 PolarHBondContact O-N 2.85Å; E253-A256 PolarHBondContact O-N 3.09Å; E253-K257 WeakPolarHBondContact O-CB 3.42Å; E253-K257 PolarHBondContact O-N 3.47Å |
| 254 | Y | 77.5 | Confident | 67.4 | Low | 169 Ų | 169 | 105.1 Ų | 105.1 | 66% | 0.663 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -59.6 | -41.3 | 170.8 | -97.3 | -88.6 | 0 | 0 | 0 | 112.4 | L250 K257 A258 | L250-Y254 HydrophobicContact CD1-CD2 4Å; L250-Y254 HydrophobicContact CD1-CE2 3.93Å; L250-Y254 HydrophobicContact CG-CD2 4.19Å; L250-Y254 HydrophobicContact CG-CE2 4.32Å; L250-Y254 PolarHBondContact O-N 3.49Å; Y254-K257 PolarHBondContact O-N 3.22Å; Y254-A258 PolarHBondContact O-N 3.3Å; Y254-A258 VanDerWaalsContact O-N 3.11Å |
| 255 | A | 71.1 | Confident | 67.4 | Low | 58 Ų | 58 | 103 Ų | 103 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.5 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A251 A252 E253 V259 | A251-A255 PolarHBondContact O-N 2.66Å; A252-A255 PolarHBondContact O-N 2.89Å; E253-A255 VanDerWaalsContact C-N 3.32Å; E253-A255 PolarHBondContact O-N 2.85Å; A255-V259 WeakPolarHBondContact O-CG2 3.41Å; A255-V259 PolarHBondContact O-N 2.99Å |
| 256 | A | 72.6 | Confident | 67.3 | Low | 63 Ų | 63 | 104.6 Ų | 104.6 | 52% | 0.521 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.2 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A252 E253 V259 S260 | A252-A256 PolarHBondContact O-N 2.84Å; E253-A256 PolarHBondContact O-N 3.09Å; A256-V259 PolarHBondContact O-N 2.92Å; A256-S260 PolarHBondContact O-N 3.08Å |
| 257 | K | 74.1 | Confident | 66.7 | Low | 118 Ų | 118 | 104 Ų | 104 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.3 | -48.6 | 178.2 | -175.5 | 171.6 | 174.2 | 177.3 | 0 | 111.8 | E253 Y254 V259 S260 E261 | E253-K257 WeakPolarHBondContact O-CB 3.42Å; E253-K257 PolarHBondContact O-N 3.47Å; Y254-K257 PolarHBondContact O-N 3.22Å; K257-V259 VanDerWaalsContact C-N 3.31Å; K257-V259 PolarHBondContact O-N 3.27Å; K257-S260 WeakPolarHBondContact O-CB 3.42Å; K257-S260 PolarHBondContact O-N 3.43Å; K257-S260 PolarHBondContact O-OG 3.07Å; K257-E261 WeakPolarHBondContact CE-OE1 3.36Å; K257-E261 IonicContact NZ-OE1 2.64Å; K257-E261 PolarHBondContact O-N 2.9Å |
| 258 | A | 70.8 | Confident | 66.2 | Low | 53 Ų | 53 | 105 Ų | 105 | 44% | 0.438 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y254 S260 E261 Q262 | Y254-A258 PolarHBondContact O-N 3.3Å; Y254-A258 VanDerWaalsContact O-N 3.11Å; A258-S260 VanDerWaalsContact C-N 3.33Å; A258-S260 PolarHBondContact O-N 3.31Å; A258-E261 PolarHBondContact O-N 2.63Å; A258-Q262 PolarHBondContact O-N 3.12Å; A258-Q262 VanDerWaalsContact O-N 3.12Å |
| 259 | V | 71.4 | Confident | 65.4 | Low | 101 Ų | 101 | 107.8 Ų | 107.8 | 61% | 0.612 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.5 | -36.2 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | A255 A256 K257 R263 | A255-V259 WeakPolarHBondContact O-CG2 3.41Å; A255-V259 PolarHBondContact O-N 2.99Å; A256-V259 PolarHBondContact O-N 2.92Å; K257-V259 VanDerWaalsContact C-N 3.31Å; K257-V259 PolarHBondContact O-N 3.27Å; V259-R263 WeakPolarHBondContact O-CB 3.36Å; V259-R263 PolarHBondContact O-N 3.31Å; V259-R263 VanDerWaalsContact O-N 3.15Å |
| 260 | S | 71.8 | Confident | 64 | Low | 54 Ų | 54 | 112.3 Ų | 112.3 | 38% | 0.378 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69 | -39 | 177.2 | 77.3 | 0 | 0 | 0 | 0 | 113.4 | A256 K257 A258 R263 R264 | A256-S260 PolarHBondContact O-N 3.08Å; K257-S260 WeakPolarHBondContact O-CB 3.42Å; K257-S260 PolarHBondContact O-N 3.43Å; K257-S260 PolarHBondContact O-OG 3.07Å; A258-S260 VanDerWaalsContact C-N 3.33Å; A258-S260 PolarHBondContact O-N 3.31Å; S260-R263 CarbonylContact O-C 3.59Å; S260-R263 PolarHBondContact O-N 2.8Å; S260-R263 VanDerWaalsContact O-N 3.16Å; S260-R264 PolarHBondContact O-N 3.39Å |
| 261 | E | 66 | Low | 62.1 | Low | 89 Ų | 89 | 111.7 Ų | 111.7 | 42% | 0.416 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.5 | -42.1 | 179.2 | -73 | 174.9 | 172.4 | 0 | 0 | 110.7 | K257 A258 R263 R264 S265 | K257-E261 WeakPolarHBondContact CE-OE1 3.36Å; K257-E261 IonicContact NZ-OE1 2.64Å; K257-E261 PolarHBondContact O-N 2.9Å; A258-E261 PolarHBondContact O-N 2.63Å; E261-R263 PolarHBondContact O-N 2.75Å; E261-R264 PolarHBondContact O-N 3.31Å; E261-R264 VanDerWaalsContact O-N 3.11Å; E261-S265 PolarHBondContact O-N 3.11Å; E261-S265 VanDerWaalsContact O-N 3.1Å; E261-S265 PolarHBondContact O-OG 2.8Å |
| 262 | Q | 57.8 | Low | 60.2 | Low | 138 Ų | 138 | 112.9 Ų | 112.9 | 65% | 0.645 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.8 | -19.4 | 172.4 | -170.6 | 169.7 | -9.4 | 0 | 0 | 113.1 | A258 S265 L266 | A258-Q262 PolarHBondContact O-N 3.12Å; A258-Q262 VanDerWaalsContact O-N 3.12Å; Q262-S265 PolarHBondContact O-OG 2.81Å; Q262-L266 WeakPolarHBondContact O-CD1 3.15Å; Q262-L266 WeakPolarHBondContact O-CG 3.34Å |
| 263 | R | 60.8 | Low | 58.4 | Low | 199 Ų | 199 | 113.7 Ų | 113.7 | 75% | 0.751 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -87.9 | -24.8 | 172.8 | -153.9 | 174.5 | -171.2 | -172.7 | 1.4 | 112.9 | V259 S260 E261 | V259-R263 WeakPolarHBondContact O-CB 3.36Å; V259-R263 PolarHBondContact O-N 3.31Å; V259-R263 VanDerWaalsContact O-N 3.15Å; S260-R263 CarbonylContact O-C 3.59Å; S260-R263 PolarHBondContact O-N 2.8Å; S260-R263 VanDerWaalsContact O-N 3.16Å; E261-R263 PolarHBondContact O-N 2.75Å |
| 264 | R | 57.4 | Low | 56.4 | Low | 143 Ų | 143 | 112 Ų | 112 | 54% | 0.54 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -73 | -46.7 | 174.2 | -171.8 | -178.5 | -64.9 | 136.4 | 2 | 111.5 | S260 E261 L266 A267 E268 | S260-R264 PolarHBondContact O-N 3.39Å; E261-R264 PolarHBondContact O-N 3.31Å; E261-R264 VanDerWaalsContact O-N 3.11Å; R264-L266 PolarHBondContact O-N 2.97Å; R264-A267 WeakPolarHBondContact O-CA 3.28Å; R264-A267 WeakPolarHBondContact O-CB 3.38Å; R264-A267 PolarHBondContact O-N 2.81Å; R264-E268 PolarHBondContact O-N 3.29Å |
| 265 | S | 56.9 | Low | 54.2 | Low | 69 Ų | 69 | 112.4 Ų | 112.4 | 48% | 0.483 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63 | -25.9 | 177.6 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | E261 Q262 | E261-S265 PolarHBondContact O-N 3.11Å; E261-S265 VanDerWaalsContact O-N 3.1Å; E261-S265 PolarHBondContact O-OG 2.8Å; Q262-S265 PolarHBondContact O-OG 2.81Å |
| 266 | L | 54.5 | Low | 52.4 | Low | 133 Ų | 133 | 119.4 Ų | 119.4 | 70% | 0.696 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -11.8 | 171.2 | -72 | 173.4 | 0 | 0 | 0 | 114.3 | Q262 R264 | Q262-L266 WeakPolarHBondContact O-CD1 3.15Å; Q262-L266 WeakPolarHBondContact O-CG 3.34Å; R264-L266 PolarHBondContact O-N 2.97Å |
| 267 | A | 48.8 | Very low | 51 | Low | 63 Ų | 63 | 126.2 Ų | 126.2 | 52% | 0.521 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.6 | -37.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R264 H269 R270 | R264-A267 WeakPolarHBondContact O-CA 3.28Å; R264-A267 WeakPolarHBondContact O-CB 3.38Å; R264-A267 PolarHBondContact O-N 2.81Å; A267-H269 PolarHBondContact O-N 3.38Å; A267-R270 PolarHBondContact O-N 3.15Å |
| 268 | E | 47.2 | Very low | 49.3 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 67% | 0.668 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -16.3 | -176.7 | -69.9 | 170.6 | 135.2 | 0 | 0 | 113.7 | R264 R270 | R264-E268 PolarHBondContact O-N 3.29Å; E268-R270 VanDerWaalsContact C-N 3.35Å; E268-R270 PolarHBondContact O-N 2.94Å |
| 269 | H | 48.1 | Very low | 47.7 | Very low | 182 Ų | 182 | 132.2 Ų | 132.2 | 84% | 0.843 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 19.8 | 175.1 | -93.5 | 49.2 | 0 | 0 | 0 | 114.5 | A267 | A267-H269 PolarHBondContact O-N 3.38Š|
| 270 | R | 44.9 | Very low | 46.1 | Very low | 234 Ų | 234 | 133.2 Ų | 133.2 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -132.7 | 34.5 | -175.4 | -146.8 | -175.8 | -175.4 | -147.8 | -1.9 | 115.8 | A267 E268 | A267-R270 PolarHBondContact O-N 3.15Å; E268-R270 VanDerWaalsContact C-N 3.35Å; E268-R270 PolarHBondContact O-N 2.94Å |
| 271 | G | 34.3 | Very low | 44.7 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -133.2 | 110 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 272 | G | 31.6 | Very low | 43.4 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | trans | 153.8 | 119.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 273 | G | 33.8 | Very low | 42.3 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -93.5 | -176.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 274 | S | 32.2 | Very low | 41.4 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | cis | -158.3 | 164.8 | 3.3 | 49.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 275 | E | 32.9 | Very low | 40.8 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | 50.6 | 107.1 | 157.2 | -65.4 | 177 | 127.6 | 0 | 0 | 120.6 | ||||
| 276 | Q | 33.4 | Very low | 40.4 | Very low | 204 Ų | 204 | 131.8 Ų | 131.8 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | -157.7 | 161.1 | 107.5 | -109.9 | -179 | 16 | 0 | 0 | 112.2 | |||||
| 277 | R | 42.5 | Very low | 40.3 | Very low | 206 Ų | 206 | 133.1 Ų | 133.1 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | trans | -119.2 | 113.9 | -168.1 | 173.3 | -166.4 | 170.7 | -164.8 | -3.2 | 111.3 | E279 | R277-E279 IonicContact CZ-OE2 3.86Å; R277-E279 IonicContact NE-OE2 2.69Å; R277-E279 IonicContact NH2-OE2 3.06Å; R277-E279 PolarHBondContact NH2-OE2 3.27Å | ||
| 278 | V | 39 | Very low | 40.7 | Very low | 145 Ų | 145 | 135 Ų | 135 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -141.7 | 138.5 | 155.6 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 279 | E | 37 | Very low | 41.7 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 71% | 0.71 | 79% | 0.787 | S | S | * | * | trans | -93.8 | 125.6 | -177.6 | -68.5 | 163.5 | 72.5 | 0 | 0 | 111.1 | R277 | R277-E279 IonicContact CZ-OE2 3.86Å; R277-E279 IonicContact NE-OE2 2.69Å; R277-E279 IonicContact NH2-OE2 3.06Å; R277-E279 PolarHBondContact NH2-OE2 3.27Å | ||
| 280 | S | 37.3 | Very low | 43.3 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -155.7 | 128.3 | 158.4 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 281 | V | 43.1 | Very low | 45.4 | Very low | 153 Ų | 153 | 124.2 Ų | 124.2 | 93% | 0.927 | 75% | 0.753 | S | S | * | * | trans | -112.1 | 117.5 | -170.4 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 282 | G | 37.9 | Very low | 48.1 | Very low | 72 Ų | 72 | 121.1 Ų | 121.1 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | 165.2 | 42.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D284 | G282-D284 PolarHBondContact O-N 2.82Š| ||
| 283 | G | 34.4 | Very low | 51 | Low | 76 Ų | 76 | 120.2 Ų | 120.2 | 78% | 0.784 | 70% | 0.698 | S | S | * | * | trans | -65.6 | 114.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 284 | D | 43.1 | Very low | 53.9 | Low | 154 Ų | 154 | 118.4 Ų | 118.4 | 82% | 0.824 | 67% | 0.667 | S | S | * | * | trans | -61.8 | 152.2 | 160.6 | -174 | 22.6 | 0 | 0 | 0 | 110.2 | G282 | G282-D284 PolarHBondContact O-N 2.82Š| ||
| 285 | S | 44.1 | Very low | 56.9 | Low | 68 Ų | 68 | 115 Ų | 115 | 48% | 0.476 | 64% | 0.643 | S | S | . | * | trans | -152.7 | 125 | -179 | -82.4 | 0 | 0 | 0 | 0 | 109.8 | K287 | S285-K287 PolarHBondContact O-N 3.22Š| ||
| 286 | P | 48.5 | Very low | 59.9 | Low | 140 Ų | 140 | 109 Ų | 109 | 91% | 0.909 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 60.4 | -173 | 31.9 | -37.4 | 0 | 0 | 0 | 112.7 | ||
| 287 | K | 51.6 | Low | 62.9 | Low | 161 Ų | 161 | 99.9 Ų | 99.9 | 70% | 0.7 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.7 | -12.9 | 179.1 | -69.1 | 174.5 | -179.4 | 164.6 | 0 | 112.5 | S285 E289 S290 | S285-K287 PolarHBondContact O-N 3.22Å; K287-E289 VanDerWaalsContact C-N 3.32Å; K287-E289 PolarHBondContact O-N 3.31Å; K287-S290 VanDerWaalsContact O-CB 3.3Å; K287-S290 WeakPolarHBondContact O-CB 3.42Å; K287-S290 PolarHBondContact O-N 3.35Å; K287-S290 VanDerWaalsContact O-N 3.12Å; K287-S290 PolarHBondContact O-OG 2.86Å |
| 288 | D | 57.8 | Low | 65.5 | Low | 101 Ų | 101 | 91.4 Ų | 91.4 | 54% | 0.54 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -10.6 | -171.5 | -153.8 | 40.9 | 0 | 0 | 0 | 114.5 | P326 | D288-P326 WeakPolarHBondContact OD2-CD 3.45Å; D288-P326 VanDerWaalsContact OD2-CG 3.24Å; D288-P326 WeakPolarHBondContact OD2-CG 3.26Å |
| 289 | E | 68.4 | Low | 68.3 | Low | 149 Ų | 149 | 84.6 Ų | 84.6 | 70% | 0.696 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6 | 166 | -63 | -150.2 | 125.4 | 0 | 0 | 113.3 | K287 Y327 | K287-E289 VanDerWaalsContact C-N 3.32Å; K287-E289 PolarHBondContact O-N 3.31Å; E289-Y327 VanDerWaalsContact O-CD2 3.28Å; E289-Y327 WeakPolarHBondContact O-CD2 3.29Å |
| 290 | S | 81.9 | Confident | 71.2 | Confident | 81 Ų | 81 | 77.3 Ų | 77.3 | 57% | 0.566 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -74.9 | 143.8 | 177.8 | 70.5 | 0 | 0 | 0 | 0 | 111.9 | K287 P292 | K287-S290 VanDerWaalsContact O-CB 3.3Å; K287-S290 WeakPolarHBondContact O-CB 3.42Å; K287-S290 PolarHBondContact O-N 3.35Å; K287-S290 VanDerWaalsContact O-N 3.12Å; K287-S290 PolarHBondContact O-OG 2.86Å; S290-P292 WeakPolarHBondContact O-CD 3.48Å |
| 291 | K | 89.1 | Confident | 74.1 | Confident | 103 Ų | 103 | 71.7 Ų | 71.7 | 45% | 0.448 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 122.4 | -179.4 | -178 | 169.9 | -170.2 | 157.4 | 0 | 110.6 | Y296 Y327 Y328 | K291-Y296 PolarHBondContact NZ-OH 3.11Å; K291-Y296 VanDerWaalsContact NZ-OH 3.14Å; K291-Y327 HydrophobicContact CB-CD1 4.09Å; K291-Y327 HydrophobicContact CB-CD2 4.27Å; K291-Y327 HydrophobicContact CB-CE1 3.8Å; K291-Y327 HydrophobicContact CB-CE2 4Å; K291-Y327 HydrophobicContact CB-CG 4.31Å; K291-Y327 HydrophobicContact CD-CE1 3.8Å; K291-Y327 HydrophobicContact CG-CD1 4.01Å; K291-Y327 HydrophobicContact CG-CE1 3.56Å; K291-Y328 WeakPolarHBondContact CE-OH 3.39Å |
| 292 | P | 90.7 | Very high | 76.7 | Confident | 14 Ų | 14 | 64.9 Ų | 64.9 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 145.5 | -173.7 | 24.7 | -35.4 | 0 | 0 | 0 | 112.3 | S290 Y294 Y325 Y328 | S290-P292 WeakPolarHBondContact O-CD 3.48Å; P292-Y294 HydrophobicContact CB-CD2 4.08Å; P292-Y294 PolarHBondContact O-N 3.37Å; P292-Y325 HydrophobicContact CB-CD1 3.58Å; P292-Y325 HydrophobicContact CB-CE1 3.75Å; P292-Y325 HydrophobicContact CB-CG 4.34Å; P292-Y325 HydrophobicContact CG-CD1 3.67Å; P292-Y325 HydrophobicContact CG-CE1 4.22Å; P292-Y325 HydrophobicContact CG-CG 3.93Å; P292-Y328 HydrophobicContact CG-CD2 4.46Å; P292-Y328 HydrophobicContact CG-CE2 3.66Å |
| 293 | P | 91.9 | Very high | 79.5 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -78.3 | 39.2 | -174.9 | 34.8 | -38.7 | 0 | 0 | 0 | 113.5 | K382 R383 | P293-K382 HydrophobicContact CB-CB 4.49Å; P293-K382 HydrophobicContact CG-CB 4.22Å; P293-K382 HydrophobicContact CG-CD 4.11Å; P293-K382 HydrophobicContact CG-CG 3.97Å; P293-R383 WeakPolarHBondContact O-CB 3.34Å; P293-R383 PolarHBondContact O-N 3.21Å |
| 294 | Y | 94.2 | Very high | 82.5 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 15% | 0.153 | 31% | 0.313 | C | S | . | . | trans | -121.2 | 143.3 | 179.5 | -54.9 | -56.6 | 0 | 0 | 0 | 110.4 | P292 L299 Y325 K382 | P292-Y294 HydrophobicContact CB-CD2 4.08Å; P292-Y294 PolarHBondContact O-N 3.37Å; Y294-L299 HydrophobicContact CD2-CD2 4.22Å; Y294-Y325 AromaticContact CD2-CE1 3.98Å; Y294-Y325 HydrophobicContact CD2-CE1 3.98Å; Y294-Y325 AromaticContact CD2-CZ 3.8Å; Y294-Y325 VanDerWaalsContact CD2-OH 3.29Å; Y294-Y325 WeakPolarHBondContact CD2-OH 3.47Å; Y294-Y325 AromaticContact CE2-CE1 3.91Å; Y294-Y325 HydrophobicContact CE2-CE1 3.91Å; Y294-Y325 AromaticContact CE2-CZ 3.88Å; Y294-Y325 WeakPolarHBondContact CE2-OH 3.41Å; Y294-K382 HydrophobicContact CE1-CB 4.37Å; Y294-K382 HydrophobicContact CE1-CG 3.74Å | ||
| 295 | S | 95.6 | Very high | 85 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 23% | 0.231 | 28% | 0.281 | C | S | . | . | trans | -75.6 | 157.5 | 172.2 | 62 | 0 | 0 | 0 | 0 | 111.5 | A297 Q298 L299 | S295-A297 PolarHBondContact O-N 2.9Å; S295-Q298 WeakPolarHBondContact O-CB 3.48Å; S295-Q298 PolarHBondContact O-N 3.19Å; S295-Q298 WeakPolarHBondContact OG-CG 3.35Å; S295-Q298 PolarHBondContact OG-N 2.86Å; S295-Q298 PolarHBondContact OG-OE1 3.3Å; S295-L299 PolarHBondContact O-N 3.38Å | ||
| 296 | Y | 97.1 | Very high | 87.5 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.6 | -35.2 | 177.9 | -63.8 | -58.1 | 0 | 0 | 0 | 113 | K291 L299 I300 Y328 W335 S338 I339 | K291-Y296 PolarHBondContact NZ-OH 3.11Å; K291-Y296 VanDerWaalsContact NZ-OH 3.14Å; Y296-L299 HydrophobicContact CD1-CD1 4.21Å; Y296-L299 PolarHBondContact O-N 2.87Å; Y296-I300 WeakPolarHBondContact O-CD1 3.44Å; Y296-I300 VanDerWaalsContact O-CG1 3.22Å; Y296-I300 WeakPolarHBondContact O-CG1 3.43Å; Y296-I300 PolarHBondContact O-N 2.79Å; Y296-Y328 HydrophobicContact CE1-CE1 4.07Å; Y296-W335 HydrophobicContact CE1-CB 4.23Å; Y296-S338 VanDerWaalsContact CD2-CB 3.41Å; Y296-I339 HydrophobicContact CD1-CD1 4.01Å; Y296-I339 HydrophobicContact CG-CD1 4.46Å |
| 297 | A | 96.8 | Very high | 89.7 | Confident | 12 Ų | 12 | 45.7 Ų | 45.7 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S295 L299 I300 V301 F349 | S295-A297 PolarHBondContact O-N 2.9Å; A297-L299 VanDerWaalsContact C-N 3.34Å; A297-L299 PolarHBondContact O-N 3.32Å; A297-I300 PolarHBondContact O-N 3.28Å; A297-V301 WeakPolarHBondContact O-CG2 3.48Å; A297-V301 PolarHBondContact O-N 2.84Å; A297-F349 HydrophobicContact CB-CE2 4.46Å |
| 298 | Q | 96.9 | Very high | 91.7 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.3 | -69.6 | 168.1 | -71.8 | 0 | 0 | 112 | S295 I300 V301 Q302 Q378 R381 | S295-Q298 WeakPolarHBondContact O-CB 3.48Å; S295-Q298 PolarHBondContact O-N 3.19Å; S295-Q298 WeakPolarHBondContact OG-CG 3.35Å; S295-Q298 PolarHBondContact OG-N 2.86Å; S295-Q298 PolarHBondContact OG-OE1 3.3Å; Q298-I300 VanDerWaalsContact C-N 3.33Å; Q298-I300 PolarHBondContact O-N 3.22Å; Q298-V301 PolarHBondContact O-N 3.08Å; Q298-Q302 VanDerWaalsContact O-CG 3.3Å; Q298-Q302 WeakPolarHBondContact O-CG 3.27Å; Q298-Q302 PolarHBondContact O-N 2.88Å; Q298-Q378 PolarHBondContact NE2-O 3.27Å; Q298-R381 PolarHBondContact NE2-O 2.66Å |
| 299 | L | 97.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -36.5 | 175.9 | -66 | 173.4 | 0 | 0 | 0 | 112.6 | Y294 S295 Y296 A297 A303 I321 Y325 Y328 | Y294-L299 HydrophobicContact CD2-CD2 4.22Å; S295-L299 PolarHBondContact O-N 3.38Å; Y296-L299 HydrophobicContact CD1-CD1 4.21Å; Y296-L299 PolarHBondContact O-N 2.87Å; A297-L299 VanDerWaalsContact C-N 3.34Å; A297-L299 PolarHBondContact O-N 3.32Å; L299-A303 WeakPolarHBondContact O-CB 3.38Å; L299-A303 PolarHBondContact O-N 3.25Å; L299-A303 VanDerWaalsContact O-N 3.11Å; L299-I321 HydrophobicContact CB-CD1 3.92Å; L299-I321 HydrophobicContact CB-CG1 4.24Å; L299-Y325 HydrophobicContact CD2-CD2 3.72Å; L299-Y325 HydrophobicContact CD2-CE2 3.31Å; L299-Y328 HydrophobicContact CD1-CE2 3.71Å |
| 300 | I | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.6 | -41.8 | 174.1 | -65.9 | 158.4 | 0 | 0 | 0 | 110.8 | Y296 A297 Q298 A303 I304 I317 I339 N342 L343 F349 | Y296-I300 WeakPolarHBondContact O-CD1 3.44Å; Y296-I300 VanDerWaalsContact O-CG1 3.22Å; Y296-I300 WeakPolarHBondContact O-CG1 3.43Å; Y296-I300 PolarHBondContact O-N 2.79Å; A297-I300 PolarHBondContact O-N 3.28Å; Q298-I300 VanDerWaalsContact C-N 3.33Å; Q298-I300 PolarHBondContact O-N 3.22Å; I300-A303 WeakPolarHBondContact O-CB 3.47Å; I300-A303 PolarHBondContact O-N 2.8Å; I300-I304 HydrophobicContact CG2-CD1 3.62Å; I300-I304 HydrophobicContact CG2-CG1 4.24Å; I300-I304 WeakPolarHBondContact O-CG1 3.32Å; I300-I304 PolarHBondContact O-N 2.91Å; I300-I317 HydrophobicContact CG1-CG2 4.17Å; I300-I317 HydrophobicContact CG2-CD1 4.39Å; I300-I339 HydrophobicContact CD1-CD1 4.09Å; I300-I339 HydrophobicContact CD1-CG2 4.21Å; I300-I339 HydrophobicContact CG1-CD1 3.82Å; I300-I339 HydrophobicContact CG1-CG2 4.2Å; I300-N342 HydrophobicContact CD1-CB 3.67Å; I300-L343 HydrophobicContact CD1-CD2 4.12Å; I300-L343 HydrophobicContact CD1-CG 4Å; I300-L343 HydrophobicContact CG2-CD2 3.67Å; I300-F349 HydrophobicContact CB-CE1 4.08Å; I300-F349 HydrophobicContact CB-CE2 4.18Å; I300-F349 HydrophobicContact CB-CZ 3.61Å; I300-F349 HydrophobicContact CD1-CE2 3.99Å; I300-F349 HydrophobicContact CD1-CZ 4.3Å; I300-F349 HydrophobicContact CG2-CD1 3.92Å; I300-F349 HydrophobicContact CG2-CD2 4.45Å; I300-F349 HydrophobicContact CG2-CE1 3.36Å; I300-F349 HydrophobicContact CG2-CE2 3.96Å; I300-F349 HydrophobicContact CG2-CG 4.44Å; I300-F349 HydrophobicContact CG2-CZ 3.37Å |
| 301 | V | 97.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63 | -47.4 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | A297 Q298 A303 I304 S305 F349 I367 L375 V376 A379 | A297-V301 WeakPolarHBondContact O-CG2 3.48Å; A297-V301 PolarHBondContact O-N 2.84Å; Q298-V301 PolarHBondContact O-N 3.08Å; V301-A303 VanDerWaalsContact C-N 3.26Å; V301-A303 PolarHBondContact O-N 2.83Å; V301-I304 PolarHBondContact O-N 3.43Å; V301-S305 WeakPolarHBondContact O-CB 3.37Å; V301-S305 PolarHBondContact O-N 2.9Å; V301-S305 PolarHBondContact O-OG 2.83Å; V301-F349 HydrophobicContact CG2-CE1 3.89Å; V301-F349 HydrophobicContact CG2-CZ 3.95Å; V301-I367 HydrophobicContact CB-CD1 4.36Å; V301-I367 HydrophobicContact CG1-CD1 3.95Å; V301-I367 HydrophobicContact CG2-CD1 4.31Å; V301-L375 HydrophobicContact CG1-CB 4.2Å; V301-L375 HydrophobicContact CG2-CB 4.13Å; V301-V376 HydrophobicContact CG1-CG2 4.18Å; V301-A379 HydrophobicContact CB-CB 4.07Å; V301-A379 HydrophobicContact CG1-CB 3.65Å |
| 302 | Q | 97.3 | Very high | 95.7 | Very high | 10 Ų | 10 | 35 Ų | 35 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.8 | -44.5 | 174 | -69.9 | 170.4 | 8.6 | 0 | 0 | 111.4 | Q298 S306 Y325 A379 F380 | Q298-Q302 VanDerWaalsContact O-CG 3.3Å; Q298-Q302 WeakPolarHBondContact O-CG 3.27Å; Q298-Q302 PolarHBondContact O-N 2.88Å; Q302-S306 VanDerWaalsContact O-CB 3.3Å; Q302-S306 WeakPolarHBondContact O-CB 3.49Å; Q302-S306 PolarHBondContact O-N 2.8Å; Q302-S306 PolarHBondContact O-OG 3.04Å; Q302-Y325 PolarHBondContact OE1-OH 2.9Å; Q302-A379 HydrophobicContact CG-CB 4Å; Q302-A379 PolarHBondContact NE2-O 3.4Å; Q302-F380 HydrophobicContact CG-CD1 4.41Å; Q302-F380 HydrophobicContact CG-CE1 3.95Å; Q302-F380 HydrophobicContact CG-CZ 4.09Å |
| 303 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.9 | -59.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L299 I300 V301 S305 S306 A307 L312 I317 H320 | L299-A303 WeakPolarHBondContact O-CB 3.38Å; L299-A303 PolarHBondContact O-N 3.25Å; L299-A303 VanDerWaalsContact O-N 3.11Å; I300-A303 WeakPolarHBondContact O-CB 3.47Å; I300-A303 PolarHBondContact O-N 2.8Å; V301-A303 VanDerWaalsContact C-N 3.26Å; V301-A303 PolarHBondContact O-N 2.83Å; A303-S305 PolarHBondContact O-N 2.94Å; A303-S306 PolarHBondContact O-N 3.34Å; A303-S306 PolarHBondContact O-OG 3.14Å; A303-A307 PolarHBondContact O-N 3.01Å; A303-L312 HydrophobicContact CB-CD1 4.03Å; A303-L312 WeakPolarHBondContact O-CD1 3.39Å; A303-I317 HydrophobicContact CB-CG2 4.44Å; A303-H320 HydrophobicContact CB-CB 3.9Å |
| 304 | I | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -43.8 | -174.8 | -64.3 | 173.1 | 0 | 0 | 0 | 111.4 | I300 V301 S306 A307 K310 L312 I317 F349 W365 I367 | I300-I304 HydrophobicContact CG2-CD1 3.62Å; I300-I304 HydrophobicContact CG2-CG1 4.24Å; I300-I304 WeakPolarHBondContact O-CG1 3.32Å; I300-I304 PolarHBondContact O-N 2.91Å; V301-I304 PolarHBondContact O-N 3.43Å; I304-S306 PolarHBondContact O-N 3.44Å; I304-A307 WeakPolarHBondContact O-CB 3.41Å; I304-A307 PolarHBondContact O-N 2.83Å; I304-A307 VanDerWaalsContact O-N 3.16Å; I304-K310 WeakPolarHBondContact CG2-O 3.43Å; I304-L312 HydrophobicContact CG1-CB 4.08Å; I304-I317 HydrophobicContact CD1-CD1 4.47Å; I304-I317 HydrophobicContact CG1-CD1 4.42Å; I304-F349 HydrophobicContact CD1-CD1 4.11Å; I304-F349 HydrophobicContact CD1-CE1 4.26Å; I304-W365 HydrophobicContact CD1-CB 4.16Å; I304-I367 HydrophobicContact CB-CD1 4.05Å; I304-I367 HydrophobicContact CB-CG1 4.23Å; I304-I367 HydrophobicContact CD1-CG1 4.27Å; I304-I367 HydrophobicContact CG2-CD1 3.97Å; I304-I367 HydrophobicContact CG2-CG1 3.94Å |
| 305 | S | 96.1 | Very high | 96.3 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.2 | -13.4 | -178.7 | -63.2 | 0 | 0 | 0 | 0 | 114 | V301 A303 K310 I367 E372 V376 | V301-S305 WeakPolarHBondContact O-CB 3.37Å; V301-S305 PolarHBondContact O-N 2.9Å; V301-S305 PolarHBondContact O-OG 2.83Å; A303-S305 PolarHBondContact O-N 2.94Å; S305-K310 PolarHBondContact O-NZ 3.19Å; S305-I367 VanDerWaalsContact OG-CD1 3.26Å; S305-I367 WeakPolarHBondContact OG-CD1 3.45Å; S305-E372 PolarHBondContact OG-OE1 3.34Å; S305-V376 VanDerWaalsContact OG-CG2 3.23Å; S305-V376 WeakPolarHBondContact OG-CG2 2.89Å |
| 306 | S | 95.7 | Very high | 96.3 | Very high | 70 Ų | 70 | 36.6 Ų | 36.6 | 49% | 0.49 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -84.9 | -14.4 | 171 | 75.9 | 0 | 0 | 0 | 0 | 114.2 | Q302 A303 I304 H320 | Q302-S306 VanDerWaalsContact O-CB 3.3Å; Q302-S306 WeakPolarHBondContact O-CB 3.49Å; Q302-S306 PolarHBondContact O-N 2.8Å; Q302-S306 PolarHBondContact O-OG 3.04Å; A303-S306 PolarHBondContact O-N 3.34Å; A303-S306 PolarHBondContact O-OG 3.14Å; I304-S306 PolarHBondContact O-N 3.44Å; S306-H320 PolarHBondContact OG-CE1 3.03Å; S306-H320 PolarHBondContact OG-ND1 2.92Å |
| 307 | A | 95.1 | Very high | 96.4 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 11% | 0.107 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -76.8 | 140.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | A303 I304 D309 K310 Q311 L312 | A303-A307 PolarHBondContact O-N 3.01Å; I304-A307 WeakPolarHBondContact O-CB 3.41Å; I304-A307 PolarHBondContact O-N 2.83Å; I304-A307 VanDerWaalsContact O-N 3.16Å; A307-D309 VanDerWaalsContact C-N 3.27Å; A307-D309 PolarHBondContact O-N 3.12Å; A307-K310 PolarHBondContact O-N 2.99Å; A307-K310 VanDerWaalsContact O-N 3.14Å; A307-Q311 VanDerWaalsContact CB-O 3.32Å; A307-Q311 WeakPolarHBondContact CB-O 3.2Å; A307-L312 HydrophobicContact CB-CD1 4.25Å; A307-L312 HydrophobicContact CB-CG 4.16Å |
| 308 | P | 94 | Very high | 96.4 | Very high | 134 Ų | 134 | 35.2 Ų | 35.2 | 87% | 0.87 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -32.6 | -176.4 | 27.5 | -34.8 | 0 | 0 | 0 | 112.4 | K310 | P308-K310 VanDerWaalsContact C-N 3.34Š|
| 309 | D | 93 | Very high | 96.4 | Very high | 82 Ų | 82 | 36.5 Ų | 36.5 | 44% | 0.439 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 7.7 | 178.6 | 61.2 | -23.7 | 0 | 0 | 0 | 113.4 | A307 Q311 | A307-D309 VanDerWaalsContact C-N 3.27Å; A307-D309 PolarHBondContact O-N 3.12Å; D309-Q311 HydrophobicContact CB-CG 4.08Å; D309-Q311 VanDerWaalsContact CG-CG 3.4Å; D309-Q311 PolarHBondContact O-N 2.78Å; D309-Q311 WeakPolarHBondContact OD2-CG 3.28Å; D309-Q311 PolarHBondContact OD2-NE2 2.9Å |
| 310 | K | 95.2 | Very high | 96.4 | Very high | 91 Ų | 91 | 37.7 Ų | 37.7 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | S | Bend | trans | 52.6 | 24.4 | 179.3 | -61.1 | -64.2 | -172.5 | 165.9 | 0 | 114.6 | I304 S305 A307 P308 E372 | I304-K310 WeakPolarHBondContact CG2-O 3.43Å; S305-K310 PolarHBondContact O-NZ 3.19Å; A307-K310 PolarHBondContact O-N 2.99Å; A307-K310 VanDerWaalsContact O-N 3.14Å; P308-K310 VanDerWaalsContact C-N 3.34Å; K310-E372 IonicContact NZ-OE1 3.89Å; K310-E372 PolarHBondContact NZ-OE1 3.05Å |
| 311 | Q | 95.1 | Very high | 96.3 | Very high | 37 Ų | 37 | 37.7 Ų | 37.7 | 17% | 0.173 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 157.1 | 177.9 | 66.6 | -176.9 | -2.3 | 0 | 0 | 109.7 | A307 D309 F364 W365 R366 | A307-Q311 VanDerWaalsContact CB-O 3.32Å; A307-Q311 WeakPolarHBondContact CB-O 3.2Å; D309-Q311 HydrophobicContact CB-CG 4.08Å; D309-Q311 VanDerWaalsContact CG-CG 3.4Å; D309-Q311 PolarHBondContact O-N 2.78Å; D309-Q311 WeakPolarHBondContact OD2-CG 3.28Å; D309-Q311 PolarHBondContact OD2-NE2 2.9Å; Q311-F364 HydrophobicContact CB-CB 4.43Å; Q311-F364 HydrophobicContact CB-CD1 4.32Å; Q311-F364 HydrophobicContact CG-CD1 3.79Å; Q311-F364 HydrophobicContact CG-CE1 4.25Å; Q311-F364 HydrophobicContact CG-CG 4.33Å; Q311-W365 CarbonylContact C-O 3.53Å; Q311-W365 VanDerWaalsContact CA-O 3.27Å; Q311-W365 WeakPolarHBondContact CA-O 3.45Å; Q311-R366 HydrophobicContact CB-CG 3.33Å |
| 312 | L | 96.4 | Very high | 96.2 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 139 | -178.6 | -123.4 | 174.2 | 0 | 0 | 0 | 111.9 | A303 I304 A307 G316 I317 W365 | A303-L312 HydrophobicContact CB-CD1 4.03Å; A303-L312 WeakPolarHBondContact O-CD1 3.39Å; I304-L312 HydrophobicContact CG1-CB 4.08Å; A307-L312 HydrophobicContact CB-CD1 4.25Å; A307-L312 HydrophobicContact CB-CG 4.16Å; L312-G316 VanDerWaalsContact CD2-C 3.46Å; L312-G316 VanDerWaalsContact CD2-CA 3.44Å; L312-I317 HydrophobicContact CB-CD1 4.5Å; L312-I317 HydrophobicContact CB-CG1 3.94Å; L312-I317 HydrophobicContact CD1-CG1 4.39Å; L312-W365 PolarHBondContact N-O 2.96Å; L312-W365 PolarHBondContact O-N 3.34Å |
| 313 | T | 96.8 | Very high | 96.2 | Very high | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 153.9 | 173.3 | 72.2 | 0 | 0 | 0 | 0 | 110.5 | S315 G316 I317 F364 | T313-S315 PolarHBondContact O-N 3.02Å; T313-S315 VanDerWaalsContact O-N 3.1Å; T313-G316 PolarHBondContact O-N 3.43Å; T313-G316 PolarHBondContact OG1-N 2.91Å; T313-I317 WeakPolarHBondContact O-CG1 3.33Å; T313-I317 PolarHBondContact O-N 3.33Å; T313-F364 HydrophobicContact CG2-CD1 3.81Å; T313-F364 HydrophobicContact CG2-CE1 3.71Å; T313-F364 HydrophobicContact CG2-CG 4.47Å; T313-F364 HydrophobicContact CG2-CZ 4.3Å |
| 314 | L | 96.8 | Very high | 96 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -52.7 | -34.8 | 176.4 | 178.4 | 62.5 | 0 | 0 | 0 | 113 | Y318 I339 R340 L343 | L314-Y318 HydrophobicContact CD1-CE1 3.81Å; L314-Y318 HydrophobicContact CD1-CE2 4.4Å; L314-Y318 HydrophobicContact CG-CE1 4.31Å; L314-Y318 HydrophobicContact CG-CE2 4.01Å; L314-Y318 WeakPolarHBondContact O-CD2 3.17Å; L314-Y318 PolarHBondContact O-N 2.87Å; L314-I339 HydrophobicContact CD1-CG2 4.22Å; L314-R340 HydrophobicContact CD1-CG 3.92Å; L314-R340 HydrophobicContact CD2-CG 3.9Å; L314-L343 HydrophobicContact CD1-CD1 3.63Å |
| 315 | S | 96.3 | Very high | 95.8 | Very high | 86 Ų | 86 | 52.1 Ų | 52.1 | 60% | 0.601 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -70.4 | -41.3 | 177.4 | -159.8 | 0 | 0 | 0 | 0 | 112.2 | T313 Y318 A319 | T313-S315 PolarHBondContact O-N 3.02Å; T313-S315 VanDerWaalsContact O-N 3.1Å; S315-Y318 PolarHBondContact O-N 2.81Å; S315-A319 PolarHBondContact O-N 2.95Å; S315-A319 VanDerWaalsContact O-N 3.09Å |
| 316 | G | 96.7 | Very high | 95.7 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.1 | -31.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L312 T313 Y318 A319 H320 | L312-G316 VanDerWaalsContact CD2-C 3.46Å; L312-G316 VanDerWaalsContact CD2-CA 3.44Å; T313-G316 PolarHBondContact O-N 3.43Å; T313-G316 PolarHBondContact OG1-N 2.91Å; G316-Y318 VanDerWaalsContact C-N 3.34Å; G316-Y318 PolarHBondContact O-N 3.47Å; G316-A319 PolarHBondContact O-N 3.09Å; G316-H320 WeakPolarHBondContact O-CB 3.4Å; G316-H320 PolarHBondContact O-N 2.92Å |
| 317 | I | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.1 | -43 | 172 | -64.9 | 169.9 | 0 | 0 | 0 | 110.2 | I300 A303 I304 L312 T313 I321 I339 L343 W365 | I300-I317 HydrophobicContact CG1-CG2 4.17Å; I300-I317 HydrophobicContact CG2-CD1 4.39Å; A303-I317 HydrophobicContact CB-CG2 4.44Å; I304-I317 HydrophobicContact CD1-CD1 4.47Å; I304-I317 HydrophobicContact CG1-CD1 4.42Å; L312-I317 HydrophobicContact CB-CD1 4.5Å; L312-I317 HydrophobicContact CB-CG1 3.94Å; L312-I317 HydrophobicContact CD1-CG1 4.39Å; T313-I317 WeakPolarHBondContact O-CG1 3.33Å; T313-I317 PolarHBondContact O-N 3.33Å; I317-I321 HydrophobicContact CG2-CD1 3.93Å; I317-I321 VanDerWaalsContact O-CG1 3.29Å; I317-I321 WeakPolarHBondContact O-CG1 3.5Å; I317-I321 PolarHBondContact O-N 3.07Å; I317-I321 VanDerWaalsContact O-N 3.16Å; I317-I339 HydrophobicContact CG2-CG2 3.89Å; I317-L343 HydrophobicContact CD1-CD1 4.13Å; I317-L343 HydrophobicContact CD1-CD2 4.16Å; I317-W365 HydrophobicContact CD1-CB 4.3Å |
| 318 | Y | 97.2 | Very high | 95.5 | Very high | 34 Ų | 34 | 51.7 Ų | 51.7 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 173.5 | -55.4 | -36.4 | 0 | 0 | 0 | 111.4 | L314 S315 G316 I321 T322 W335 Q336 I339 R340 | L314-Y318 HydrophobicContact CD1-CE1 3.81Å; L314-Y318 HydrophobicContact CD1-CE2 4.4Å; L314-Y318 HydrophobicContact CG-CE1 4.31Å; L314-Y318 HydrophobicContact CG-CE2 4.01Å; L314-Y318 WeakPolarHBondContact O-CD2 3.17Å; L314-Y318 PolarHBondContact O-N 2.87Å; S315-Y318 PolarHBondContact O-N 2.81Å; G316-Y318 VanDerWaalsContact C-N 3.34Å; G316-Y318 PolarHBondContact O-N 3.47Å; Y318-I321 PolarHBondContact O-N 2.99Å; Y318-T322 PolarHBondContact O-N 2.82Å; Y318-T322 PolarHBondContact O-OG1 3.48Å; Y318-W335 HydrophobicContact CD1-CH2 4.08Å; Y318-W335 AromaticContact CD1-CZ3 3.87Å; Y318-W335 HydrophobicContact CD1-CZ3 3.87Å; Y318-W335 HydrophobicContact CG-CH2 4.34Å; Y318-Q336 HydrophobicContact CD1-CB 4.21Å; Y318-Q336 HydrophobicContact CD1-CG 3.92Å; Y318-Q336 HydrophobicContact CE1-CB 3.62Å; Y318-Q336 HydrophobicContact CE1-CG 3.85Å; Y318-Q336 HydrophobicContact CG-CG 4.35Å; Y318-I339 HydrophobicContact CD1-CG2 4.36Å; Y318-I339 HydrophobicContact CE1-CB 4.19Å; Y318-I339 HydrophobicContact CE1-CG2 4.02Å; Y318-R340 WeakPolarHBondContact OH-CG 3.32Å; Y318-R340 PolarHBondContact OH-NH1 2.83Å |
| 319 | A | 97 | Very high | 95.4 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -39.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S315 G316 T322 K323 | S315-A319 PolarHBondContact O-N 2.95Å; S315-A319 VanDerWaalsContact O-N 3.09Å; G316-A319 PolarHBondContact O-N 3.09Å; A319-T322 PolarHBondContact O-OG1 2.94Å; A319-K323 VanDerWaalsContact O-CB 3.26Å; A319-K323 WeakPolarHBondContact O-CB 3.3Å; A319-K323 PolarHBondContact O-N 3.02Å |
| 320 | H | 97.2 | Very high | 95.2 | Very high | 27 Ų | 27 | 54 Ų | 54 | 13% | 0.125 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.1 | -45.3 | 173.3 | 176.1 | 105.4 | 0 | 0 | 0 | 110.8 | A303 S306 G316 K323 H324 | A303-H320 HydrophobicContact CB-CB 3.9Å; S306-H320 PolarHBondContact OG-CE1 3.03Å; S306-H320 PolarHBondContact OG-ND1 2.92Å; G316-H320 WeakPolarHBondContact O-CB 3.4Å; G316-H320 PolarHBondContact O-N 2.92Å; H320-K323 PolarHBondContact O-N 3.4Å; H320-H324 AromaticContact CD2-ND1 3.51Å; H320-H324 AromaticContact CE1-CE1 3.31Å; H320-H324 PolarHBondContact CE1-CE1 3.12Å; H320-H324 AromaticContact CE1-ND1 3.35Å; H320-H324 PolarHBondContact CE1-ND1 2.69Å; H320-H324 VanDerWaalsContact CE1-ND1 3.35Å; H320-H324 AromaticContact CG-CE1 3.95Å; H320-H324 AromaticContact CG-ND1 3.65Å; H320-H324 AromaticContact ND1-CE1 3.42Å; H320-H324 PolarHBondContact ND1-CE1 2.8Å; H320-H324 AromaticContact ND1-ND1 3.55Å; H320-H324 AromaticContact NE2-CE1 3.78Å; H320-H324 AromaticContact NE2-ND1 3.31Å; H320-H324 PolarHBondContact NE2-ND1 2.89Å; H320-H324 PolarHBondContact O-N 2.78Å; H320-H324 VanDerWaalsContact O-N 3.11Å; H320-H324 PolarHBondContact O-ND1 3.23Å |
| 321 | I | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | -178.5 | -68.7 | 170.9 | 0 | 0 | 0 | 110.9 | L299 I317 Y318 K323 Y325 Y328 W335 I339 | L299-I321 HydrophobicContact CB-CD1 3.92Å; L299-I321 HydrophobicContact CB-CG1 4.24Å; I317-I321 HydrophobicContact CG2-CD1 3.93Å; I317-I321 VanDerWaalsContact O-CG1 3.29Å; I317-I321 WeakPolarHBondContact O-CG1 3.5Å; I317-I321 PolarHBondContact O-N 3.07Å; I317-I321 VanDerWaalsContact O-N 3.16Å; Y318-I321 PolarHBondContact O-N 2.99Å; I321-K323 VanDerWaalsContact C-N 3.33Å; I321-K323 PolarHBondContact O-N 3.14Å; I321-Y325 WeakPolarHBondContact O-CB 3.26Å; I321-Y325 PolarHBondContact O-N 3.42Å; I321-Y328 HydrophobicContact CG2-CD2 3.41Å; I321-Y328 VanDerWaalsContact CG2-CD2 3.41Å; I321-Y328 HydrophobicContact CG2-CE2 4.04Å; I321-Y328 HydrophobicContact CG2-CG 3.82Å; I321-W335 HydrophobicContact CB-CH2 4.4Å; I321-W335 HydrophobicContact CB-CZ3 4.29Å; I321-W335 HydrophobicContact CD1-CZ3 4.34Å; I321-W335 HydrophobicContact CG2-CH2 4.23Å; I321-W335 HydrophobicContact CG2-CZ3 4Å; I321-I339 HydrophobicContact CD1-CD1 3.49Å; I321-I339 VanDerWaalsContact CD1-CD1 3.49Å; I321-I339 HydrophobicContact CD1-CG1 4.21Å |
| 322 | T | 95.6 | Very high | 94.3 | Very high | 39 Ų | 39 | 52 Ų | 52 | 24% | 0.239 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.4 | -25.1 | 176.7 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | Y318 A319 R329 W335 | Y318-T322 PolarHBondContact O-N 2.82Å; Y318-T322 PolarHBondContact O-OG1 3.48Å; A319-T322 PolarHBondContact O-OG1 2.94Å; T322-R329 PolarHBondContact O-NE 3.14Å; T322-R329 PolarHBondContact O-NH2 2.88Å; T322-W335 HydrophobicContact CG2-CH2 3.87Å; T322-W335 HydrophobicContact CG2-CZ2 3.57Å |
| 323 | K | 95.4 | Very high | 94 | Very high | 150 Ų | 150 | 58.6 Ų | 58.6 | 65% | 0.652 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.1 | -57 | 171.3 | -175 | 177.2 | -179.7 | -177.9 | 0 | 110.9 | A319 H320 I321 R329 | A319-K323 VanDerWaalsContact O-CB 3.26Å; A319-K323 WeakPolarHBondContact O-CB 3.3Å; A319-K323 PolarHBondContact O-N 3.02Å; H320-K323 PolarHBondContact O-N 3.4Å; I321-K323 VanDerWaalsContact C-N 3.33Å; I321-K323 PolarHBondContact O-N 3.14Å; K323-R329 PolarHBondContact O-NH2 3.35Å |
| 324 | H | 94.1 | Very high | 93.8 | Very high | 93 Ų | 93 | 58.5 Ų | 58.5 | 43% | 0.431 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -85.3 | -13.9 | -170.6 | -59.3 | 97.9 | 0 | 0 | 0 | 115.3 | H320 | H320-H324 AromaticContact CD2-ND1 3.51Å; H320-H324 AromaticContact CE1-CE1 3.31Å; H320-H324 PolarHBondContact CE1-CE1 3.12Å; H320-H324 AromaticContact CE1-ND1 3.35Å; H320-H324 PolarHBondContact CE1-ND1 2.69Å; H320-H324 VanDerWaalsContact CE1-ND1 3.35Å; H320-H324 AromaticContact CG-CE1 3.95Å; H320-H324 AromaticContact CG-ND1 3.65Å; H320-H324 AromaticContact ND1-CE1 3.42Å; H320-H324 PolarHBondContact ND1-CE1 2.8Å; H320-H324 AromaticContact ND1-ND1 3.55Å; H320-H324 AromaticContact NE2-CE1 3.78Å; H320-H324 AromaticContact NE2-ND1 3.31Å; H320-H324 PolarHBondContact NE2-ND1 2.89Å; H320-H324 PolarHBondContact O-N 2.78Å; H320-H324 VanDerWaalsContact O-N 3.11Å; H320-H324 PolarHBondContact O-ND1 3.23Å |
| 325 | Y | 94.3 | Very high | 93.7 | Very high | 35 Ų | 35 | 56.6 Ų | 56.6 | 14% | 0.137 | 30% | 0.297 | C | S | . | . | trans | -135.1 | 91.8 | -178.5 | -61.4 | -70.1 | 0 | 0 | 0 | 110.9 | P292 Y294 L299 Q302 I321 Y327 Y328 | P292-Y325 HydrophobicContact CB-CD1 3.58Å; P292-Y325 HydrophobicContact CB-CE1 3.75Å; P292-Y325 HydrophobicContact CB-CG 4.34Å; P292-Y325 HydrophobicContact CG-CD1 3.67Å; P292-Y325 HydrophobicContact CG-CE1 4.22Å; P292-Y325 HydrophobicContact CG-CG 3.93Å; Y294-Y325 AromaticContact CD2-CE1 3.98Å; Y294-Y325 HydrophobicContact CD2-CE1 3.98Å; Y294-Y325 AromaticContact CD2-CZ 3.8Å; Y294-Y325 VanDerWaalsContact CD2-OH 3.29Å; Y294-Y325 WeakPolarHBondContact CD2-OH 3.47Å; Y294-Y325 AromaticContact CE2-CE1 3.91Å; Y294-Y325 HydrophobicContact CE2-CE1 3.91Å; Y294-Y325 AromaticContact CE2-CZ 3.88Å; Y294-Y325 WeakPolarHBondContact CE2-OH 3.41Å; L299-Y325 HydrophobicContact CD2-CD2 3.72Å; L299-Y325 HydrophobicContact CD2-CE2 3.31Å; Q302-Y325 PolarHBondContact OE1-OH 2.9Å; I321-Y325 WeakPolarHBondContact O-CB 3.26Å; I321-Y325 PolarHBondContact O-N 3.42Å; Y325-Y327 PolarHBondContact O-N 2.86Å; Y325-Y327 VanDerWaalsContact O-N 3.12Å; Y325-Y328 PolarHBondContact O-N 3.08Å | ||
| 326 | P | 92.3 | Very high | 93.7 | Very high | 25 Ų | 25 | 54.9 Ų | 54.9 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -33.2 | -172.5 | -30.4 | 38.8 | 0 | 0 | 0 | 115 | D288 Y328 R329 | D288-P326 WeakPolarHBondContact OD2-CD 3.45Å; D288-P326 VanDerWaalsContact OD2-CG 3.24Å; D288-P326 WeakPolarHBondContact OD2-CG 3.26Å; P326-Y328 PolarHBondContact O-N 3.37Å; P326-R329 WeakPolarHBondContact O-CB 2.89Å; P326-R329 WeakPolarHBondContact O-CG 3.3Å; P326-R329 PolarHBondContact O-N 2.73Å |
| 327 | Y | 93.6 | Very high | 93.7 | Very high | 67 Ų | 67 | 58.4 Ų | 58.4 | 26% | 0.263 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -42.4 | -39.8 | 170.5 | 171.7 | -102 | 0 | 0 | 0 | 114.1 | E289 K291 Y325 R329 A331 | E289-Y327 VanDerWaalsContact O-CD2 3.28Å; E289-Y327 WeakPolarHBondContact O-CD2 3.29Å; K291-Y327 HydrophobicContact CB-CD1 4.09Å; K291-Y327 HydrophobicContact CB-CD2 4.27Å; K291-Y327 HydrophobicContact CB-CE1 3.8Å; K291-Y327 HydrophobicContact CB-CE2 4Å; K291-Y327 HydrophobicContact CB-CG 4.31Å; K291-Y327 HydrophobicContact CD-CE1 3.8Å; K291-Y327 HydrophobicContact CG-CD1 4.01Å; K291-Y327 HydrophobicContact CG-CE1 3.56Å; Y325-Y327 PolarHBondContact O-N 2.86Å; Y325-Y327 VanDerWaalsContact O-N 3.12Å; Y327-R329 VanDerWaalsContact C-N 3.29Å; Y327-R329 PolarHBondContact O-N 2.91Å; Y327-A331 HydrophobicContact CD1-CB 4.47Å; Y327-A331 HydrophobicContact CE1-CB 4.09Å; Y327-A331 HydrophobicContact CE2-CB 4.46Å; Y327-A331 WeakPolarHBondContact O-CB 3.34Å; Y327-A331 PolarHBondContact O-N 2.89Å; Y327-A331 VanDerWaalsContact O-N 3.08Å |
| 328 | Y | 94 | Very high | 93.6 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -80.3 | -3.6 | -177.7 | -68.9 | -64.7 | 0 | 0 | 0 | 114.6 | K291 P292 Y296 L299 I321 Y325 P326 A331 W335 | K291-Y328 WeakPolarHBondContact CE-OH 3.39Å; P292-Y328 HydrophobicContact CG-CD2 4.46Å; P292-Y328 HydrophobicContact CG-CE2 3.66Å; Y296-Y328 HydrophobicContact CE1-CE1 4.07Å; L299-Y328 HydrophobicContact CD1-CE2 3.71Å; I321-Y328 HydrophobicContact CG2-CD2 3.41Å; I321-Y328 VanDerWaalsContact CG2-CD2 3.41Å; I321-Y328 HydrophobicContact CG2-CE2 4.04Å; I321-Y328 HydrophobicContact CG2-CG 3.82Å; Y325-Y328 PolarHBondContact O-N 3.08Å; P326-Y328 PolarHBondContact O-N 3.37Å; Y328-A331 HydrophobicContact CD1-CB 4.45Å; Y328-W335 HydrophobicContact CD1-CB 3.91Å; Y328-W335 AromaticContact CD1-CD1 3.7Å; Y328-W335 AromaticContact CD1-CD2 3.73Å; Y328-W335 HydrophobicContact CD1-CD2 3.73Å; Y328-W335 HydrophobicContact CD1-CE3 4.28Å; Y328-W335 AromaticContact CD1-CG 3.54Å; Y328-W335 HydrophobicContact CD1-CG 3.54Å; Y328-W335 HydrophobicContact CE1-CB 3.88Å; Y328-W335 HydrophobicContact CE1-CD2 4.42Å; Y328-W335 HydrophobicContact CE1-CG 4.05Å; Y328-W335 HydrophobicContact CG-CD2 4.3Å; Y328-W335 PolarHBondContact O-NE1 3.39Å; Y328-W335 VanDerWaalsContact O-NE1 3.07Å |
| 329 | R | 92.4 | Very high | 93.7 | Very high | 154 Ų | 154 | 58.4 Ų | 58.4 | 58% | 0.581 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -75 | -42.8 | 172.4 | -58.3 | 172.8 | -171.4 | 166.8 | 6.1 | 111.3 | T322 K323 P326 Y327 | T322-R329 PolarHBondContact O-NE 3.14Å; T322-R329 PolarHBondContact O-NH2 2.88Å; K323-R329 PolarHBondContact O-NH2 3.35Å; P326-R329 WeakPolarHBondContact O-CB 2.89Å; P326-R329 WeakPolarHBondContact O-CG 3.3Å; P326-R329 PolarHBondContact O-N 2.73Å; Y327-R329 VanDerWaalsContact C-N 3.29Å; Y327-R329 PolarHBondContact O-N 2.91Å |
| 330 | T | 87.8 | Confident | 93.7 | Very high | 112 Ų | 112 | 60.3 Ų | 60.3 | 69% | 0.687 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -97.4 | -23 | -178.1 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 331 | A | 86 | Confident | 93.7 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -62.3 | 152.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | Y327 Y328 | Y327-A331 HydrophobicContact CD1-CB 4.47Å; Y327-A331 HydrophobicContact CE1-CB 4.09Å; Y327-A331 HydrophobicContact CE2-CB 4.46Å; Y327-A331 WeakPolarHBondContact O-CB 3.34Å; Y327-A331 PolarHBondContact O-N 2.89Å; Y327-A331 VanDerWaalsContact O-N 3.08Å; Y328-A331 HydrophobicContact CD1-CB 4.45Å |
| 332 | D | 86.4 | Confident | 93.7 | Very high | 62 Ų | 62 | 65 Ų | 65 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | trans | -62.7 | 147.2 | -175.4 | 92.5 | -74 | 0 | 0 | 0 | 113.3 | S91 G334 W335 | S91-D332 PolarHBondContact OG-OD2 3.2Å; S91-D332 VanDerWaalsContact OG-OD2 3.09Å; D332-G334 PolarHBondContact O-N 3.07Å; D332-G334 WeakPolarHBondContact OD2-CA 3.3Å; D332-G334 PolarHBondContact OD2-N 3.21Å; D332-W335 PolarHBondContact O-N 3.31Å; D332-W335 VanDerWaalsContact O-N 3.15Å | ||
| 333 | K | 89.1 | Confident | 93.8 | Very high | 167 Ų | 167 | 63.3 Ų | 63.3 | 73% | 0.726 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -4 | -177.4 | -62.5 | -179.4 | -177.7 | 175.9 | 0 | 114.2 | W335 Q336 | K333-W335 VanDerWaalsContact C-N 3.26Å; K333-W335 PolarHBondContact O-N 2.86Å; K333-Q336 WeakPolarHBondContact O-CB 3.45Å; K333-Q336 PolarHBondContact O-N 3.14Å |
| 334 | G | 92.3 | Very high | 93.8 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.7 | -32.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D332 Q336 N337 S338 | D332-G334 PolarHBondContact O-N 3.07Å; D332-G334 WeakPolarHBondContact OD2-CA 3.3Å; D332-G334 PolarHBondContact OD2-N 3.21Å; G334-Q336 VanDerWaalsContact C-N 3.31Å; G334-Q336 PolarHBondContact O-N 3.21Å; G334-N337 WeakPolarHBondContact O-CB 3.24Å; G334-N337 PolarHBondContact O-N 3.08Å; G334-N337 VanDerWaalsContact O-N 3.07Å; G334-S338 PolarHBondContact O-N 3.1Å; G334-S338 VanDerWaalsContact O-N 3.16Å; G334-S338 PolarHBondContact O-OG 2.72Å |
| 335 | W | 95.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 61.2 Ų | 61.2 | 3% | 0.034 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -37.5 | 177.2 | 73.6 | -105.2 | 0 | 0 | 0 | 112.4 | Y296 Y318 I321 T322 Y328 D332 K333 N337 S338 I339 | Y296-W335 HydrophobicContact CE1-CB 4.23Å; Y318-W335 HydrophobicContact CD1-CH2 4.08Å; Y318-W335 AromaticContact CD1-CZ3 3.87Å; Y318-W335 HydrophobicContact CD1-CZ3 3.87Å; Y318-W335 HydrophobicContact CG-CH2 4.34Å; I321-W335 HydrophobicContact CB-CH2 4.4Å; I321-W335 HydrophobicContact CB-CZ3 4.29Å; I321-W335 HydrophobicContact CD1-CZ3 4.34Å; I321-W335 HydrophobicContact CG2-CH2 4.23Å; I321-W335 HydrophobicContact CG2-CZ3 4Å; T322-W335 HydrophobicContact CG2-CH2 3.87Å; T322-W335 HydrophobicContact CG2-CZ2 3.57Å; Y328-W335 HydrophobicContact CD1-CB 3.91Å; Y328-W335 AromaticContact CD1-CD1 3.7Å; Y328-W335 AromaticContact CD1-CD2 3.73Å; Y328-W335 HydrophobicContact CD1-CD2 3.73Å; Y328-W335 HydrophobicContact CD1-CE3 4.28Å; Y328-W335 AromaticContact CD1-CG 3.54Å; Y328-W335 HydrophobicContact CD1-CG 3.54Å; Y328-W335 HydrophobicContact CE1-CB 3.88Å; Y328-W335 HydrophobicContact CE1-CD2 4.42Å; Y328-W335 HydrophobicContact CE1-CG 4.05Å; Y328-W335 HydrophobicContact CG-CD2 4.3Å; Y328-W335 PolarHBondContact O-NE1 3.39Å; Y328-W335 VanDerWaalsContact O-NE1 3.07Å; D332-W335 PolarHBondContact O-N 3.31Å; D332-W335 VanDerWaalsContact O-N 3.15Å; K333-W335 VanDerWaalsContact C-N 3.26Å; K333-W335 PolarHBondContact O-N 2.86Å; W335-N337 PolarHBondContact O-N 2.77Å; W335-S338 WeakPolarHBondContact O-CA 3.28Å; W335-S338 WeakPolarHBondContact O-CB 3.33Å; W335-S338 PolarHBondContact O-N 2.7Å; W335-I339 HydrophobicContact CE3-CG1 3.84Å; W335-I339 HydrophobicContact CZ3-CG1 4Å; W335-I339 PolarHBondContact O-N 2.87Å |
| 336 | Q | 96.1 | Very high | 94 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -31.9 | 175.2 | -62.1 | -176.8 | -8.6 | 0 | 0 | 112 | Y318 K333 G334 I339 R340 | Y318-Q336 HydrophobicContact CD1-CB 4.21Å; Y318-Q336 HydrophobicContact CD1-CG 3.92Å; Y318-Q336 HydrophobicContact CE1-CB 3.62Å; Y318-Q336 HydrophobicContact CE1-CG 3.85Å; Y318-Q336 HydrophobicContact CG-CG 4.35Å; K333-Q336 WeakPolarHBondContact O-CB 3.45Å; K333-Q336 PolarHBondContact O-N 3.14Å; G334-Q336 VanDerWaalsContact C-N 3.31Å; G334-Q336 PolarHBondContact O-N 3.21Å; Q336-I339 PolarHBondContact O-N 2.87Å; Q336-R340 WeakPolarHBondContact O-CG 3.31Å; Q336-R340 PolarHBondContact O-N 2.91Å; Q336-R340 VanDerWaalsContact O-N 3.08Å; Q336-R340 PolarHBondContact O-NH1 3.32Å |
| 337 | N | 96.4 | Very high | 94.1 | Very high | 92 Ų | 92 | 71.3 Ų | 71.3 | 49% | 0.492 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.9 | -35.9 | 173.3 | -161.4 | 70.6 | 0 | 0 | 0 | 112 | G334 W335 I339 R340 H341 | G334-N337 WeakPolarHBondContact O-CB 3.24Å; G334-N337 PolarHBondContact O-N 3.08Å; G334-N337 VanDerWaalsContact O-N 3.07Å; W335-N337 PolarHBondContact O-N 2.77Å; N337-I339 VanDerWaalsContact C-N 3.35Å; N337-R340 PolarHBondContact O-N 2.86Å; N337-R340 PolarHBondContact OD1-NH2 3.21Å; N337-H341 WeakPolarHBondContact O-CB 3.11Å; N337-H341 PolarHBondContact O-N 2.77Å |
| 338 | S | 97.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 70.9 Ų | 70.9 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.2 | -36.6 | 172.6 | -51.7 | 0 | 0 | 0 | 0 | 112.4 | Y296 G334 W335 H341 N342 | Y296-S338 VanDerWaalsContact CD2-CB 3.41Å; G334-S338 PolarHBondContact O-N 3.1Å; G334-S338 VanDerWaalsContact O-N 3.16Å; G334-S338 PolarHBondContact O-OG 2.72Å; W335-S338 WeakPolarHBondContact O-CA 3.28Å; W335-S338 WeakPolarHBondContact O-CB 3.33Å; W335-S338 PolarHBondContact O-N 2.7Å; S338-H341 PolarHBondContact O-N 2.77Å; S338-N342 PolarHBondContact O-N 3.04Å; S338-N342 PolarHBondContact O-ND2 2.83Å |
| 339 | I | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -53.3 | 172.1 | -65.5 | -67.9 | 0 | 0 | 0 | 110.9 | Y296 I300 L314 I317 Y318 I321 W335 Q336 N337 H341 N342 L343 | Y296-I339 HydrophobicContact CD1-CD1 4.01Å; Y296-I339 HydrophobicContact CG-CD1 4.46Å; I300-I339 HydrophobicContact CD1-CD1 4.09Å; I300-I339 HydrophobicContact CD1-CG2 4.21Å; I300-I339 HydrophobicContact CG1-CD1 3.82Å; I300-I339 HydrophobicContact CG1-CG2 4.2Å; L314-I339 HydrophobicContact CD1-CG2 4.22Å; I317-I339 HydrophobicContact CG2-CG2 3.89Å; Y318-I339 HydrophobicContact CD1-CG2 4.36Å; Y318-I339 HydrophobicContact CE1-CB 4.19Å; Y318-I339 HydrophobicContact CE1-CG2 4.02Å; I321-I339 HydrophobicContact CD1-CD1 3.49Å; I321-I339 VanDerWaalsContact CD1-CD1 3.49Å; I321-I339 HydrophobicContact CD1-CG1 4.21Å; W335-I339 HydrophobicContact CE3-CG1 3.84Å; W335-I339 HydrophobicContact CZ3-CG1 4Å; W335-I339 PolarHBondContact O-N 2.87Å; Q336-I339 PolarHBondContact O-N 2.87Å; N337-I339 VanDerWaalsContact C-N 3.35Å; I339-H341 VanDerWaalsContact C-N 3.26Å; I339-H341 PolarHBondContact O-N 3.08Å; I339-N342 PolarHBondContact O-N 3.35Å; I339-L343 HydrophobicContact CG2-CD1 4.07Å; I339-L343 WeakPolarHBondContact O-CG 3.24Å; I339-L343 PolarHBondContact O-N 3.31Å |
| 340 | R | 97.4 | Very high | 94.5 | Very high | 96 Ų | 96 | 67.4 Ų | 67.4 | 36% | 0.362 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.1 | -41 | 176.9 | -70.9 | -173.7 | -59.6 | -92.3 | 11 | 112.8 | L314 Y318 Q336 N337 S344 | L314-R340 HydrophobicContact CD1-CG 3.92Å; L314-R340 HydrophobicContact CD2-CG 3.9Å; Y318-R340 WeakPolarHBondContact OH-CG 3.32Å; Y318-R340 PolarHBondContact OH-NH1 2.83Å; Q336-R340 WeakPolarHBondContact O-CG 3.31Å; Q336-R340 PolarHBondContact O-N 2.91Å; Q336-R340 VanDerWaalsContact O-N 3.08Å; Q336-R340 PolarHBondContact O-NH1 3.32Å; N337-R340 PolarHBondContact O-N 2.86Å; N337-R340 PolarHBondContact OD1-NH2 3.21Å; R340-S344 PolarHBondContact O-N 3.17Å; R340-S344 PolarHBondContact O-OG 3.14Å |
| 341 | H | 97.3 | Very high | 95 | Very high | 100 Ų | 100 | 69.1 Ų | 69.1 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 176 | 174.5 | 46.2 | 0 | 0 | 0 | 112.7 | N337 S338 I339 L343 S344 L345 | N337-H341 WeakPolarHBondContact O-CB 3.11Å; N337-H341 PolarHBondContact O-N 2.77Å; S338-H341 PolarHBondContact O-N 2.77Å; I339-H341 VanDerWaalsContact C-N 3.26Å; I339-H341 PolarHBondContact O-N 3.08Å; H341-L343 VanDerWaalsContact C-N 3.33Å; H341-L343 PolarHBondContact O-N 3.48Å; H341-S344 PolarHBondContact O-N 2.76Å; H341-S344 PolarHBondContact O-OG 3.48Å; H341-L345 WeakPolarHBondContact O-CB 3.16Å; H341-L345 PolarHBondContact O-N 2.97Å |
| 342 | N | 97.8 | Very high | 95.4 | Very high | 26 Ų | 26 | 69.2 Ų | 69.2 | 14% | 0.139 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.1 | -35.1 | 178.6 | -85.3 | -102.3 | 0 | 0 | 0 | 112 | I300 S338 I339 S344 N346 F349 | I300-N342 HydrophobicContact CD1-CB 3.67Å; S338-N342 PolarHBondContact O-N 3.04Å; S338-N342 PolarHBondContact O-ND2 2.83Å; I339-N342 PolarHBondContact O-N 3.35Å; N342-S344 VanDerWaalsContact C-N 3.34Å; N342-S344 PolarHBondContact O-N 3.14Å; N342-N346 PolarHBondContact O-N 3.37Å; N342-N346 PolarHBondContact O-ND2 3.34Å; N342-F349 WeakPolarHBondContact O-CD2 3.22Å |
| 343 | L | 97.3 | Very high | 95.6 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.4 | -34.1 | 175 | -70.8 | 168.3 | 0 | 0 | 0 | 113.2 | I300 L314 I317 I339 H341 F349 W365 | I300-L343 HydrophobicContact CD1-CD2 4.12Å; I300-L343 HydrophobicContact CD1-CG 4Å; I300-L343 HydrophobicContact CG2-CD2 3.67Å; L314-L343 HydrophobicContact CD1-CD1 3.63Å; I317-L343 HydrophobicContact CD1-CD1 4.13Å; I317-L343 HydrophobicContact CD1-CD2 4.16Å; I339-L343 HydrophobicContact CG2-CD1 4.07Å; I339-L343 WeakPolarHBondContact O-CG 3.24Å; I339-L343 PolarHBondContact O-N 3.31Å; H341-L343 VanDerWaalsContact C-N 3.33Å; H341-L343 PolarHBondContact O-N 3.48Å; L343-F349 HydrophobicContact CD2-CB 4.13Å; L343-F349 HydrophobicContact CD2-CD1 4.49Å; L343-F349 HydrophobicContact CD2-CD2 4.14Å; L343-F349 HydrophobicContact CD2-CG 4.02Å; L343-W365 HydrophobicContact CB-CD2 4.2Å; L343-W365 HydrophobicContact CB-CE3 4.07Å; L343-W365 HydrophobicContact CB-CH2 3.88Å; L343-W365 HydrophobicContact CB-CZ2 4.03Å; L343-W365 HydrophobicContact CB-CZ3 3.9Å; L343-W365 HydrophobicContact CD1-CD2 4.22Å; L343-W365 HydrophobicContact CD1-CG 4.33Å; L343-W365 HydrophobicContact CD1-CZ2 4.49Å; L343-W365 HydrophobicContact CD2-CB 4.19Å; L343-W365 HydrophobicContact CD2-CD2 3.82Å; L343-W365 HydrophobicContact CD2-CE3 3.92Å; L343-W365 HydrophobicContact CD2-CG 3.94Å; L343-W365 HydrophobicContact CG-CD2 4.31Å; L343-W365 HydrophobicContact CG-CE3 4.49Å; L343-W365 VanDerWaalsContact O-CZ3 3.22Å; L343-W365 WeakPolarHBondContact O-CZ3 3.38Å |
| 344 | S | 95.9 | Very high | 95.6 | Very high | 94 Ų | 94 | 65.4 Ų | 65.4 | 66% | 0.657 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -93.7 | -19.6 | 176.6 | 60.8 | 0 | 0 | 0 | 0 | 114.9 | R340 H341 N342 | R340-S344 PolarHBondContact O-N 3.17Å; R340-S344 PolarHBondContact O-OG 3.14Å; H341-S344 PolarHBondContact O-N 2.76Å; H341-S344 PolarHBondContact O-OG 3.48Å; N342-S344 VanDerWaalsContact C-N 3.34Å; N342-S344 PolarHBondContact O-N 3.14Å |
| 345 | L | 95.4 | Very high | 95.2 | Very high | 104 Ų | 104 | 67.2 Ų | 67.2 | 55% | 0.545 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -77.4 | -40.1 | 178.4 | 179.9 | 69.7 | 0 | 0 | 0 | 112.6 | H341 | H341-L345 WeakPolarHBondContact O-CB 3.16Å; H341-L345 PolarHBondContact O-N 2.97Å |
| 346 | N | 95.5 | Very high | 94.4 | Very high | 33 Ų | 33 | 76 Ų | 76 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | trans | -98 | 114.1 | -171.3 | -64.2 | -82.9 | 0 | 0 | 0 | 110.6 | N342 Y348 F349 | N342-N346 PolarHBondContact O-N 3.37Å; N342-N346 PolarHBondContact O-ND2 3.34Å; N346-Y348 HydrophobicContact CB-CD1 4.06Å; N346-Y348 HydrophobicContact CB-CD2 4.32Å; N346-Y348 HydrophobicContact CB-CE1 3.59Å; N346-Y348 HydrophobicContact CB-CE2 3.91Å; N346-Y348 HydrophobicContact CB-CG 4.39Å; N346-Y348 VanDerWaalsContact CG-OH 3.27Å; N346-Y348 PolarHBondContact O-N 3.1Å; N346-Y348 VanDerWaalsContact O-N 3.08Å; N346-Y348 PolarHBondContact OD1-OH 3.2Å; N346-F349 HydrophobicContact CB-CD2 3.84Å; N346-F349 HydrophobicContact CB-CE2 4.17Å; N346-F349 PolarHBondContact O-N 3.44Å | ||
| 347 | R | 94.4 | Very high | 93.6 | Very high | 240 Ų | 240 | 80.2 Ų | 80.2 | 91% | 0.906 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.1 | -177.1 | -69.4 | -170.1 | -179.8 | -178.3 | 0.6 | 115 | F349 | R347-F349 PolarHBondContact O-N 3.38Š|
| 348 | Y | 95.9 | Very high | 92.7 | Very high | 58 Ų | 58 | 81.4 Ų | 81.4 | 23% | 0.227 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.9 | 175 | 57.1 | -102.8 | 0 | 0 | 0 | 114 | N346 I367 D368 S371 L375 | N346-Y348 HydrophobicContact CB-CD1 4.06Å; N346-Y348 HydrophobicContact CB-CD2 4.32Å; N346-Y348 HydrophobicContact CB-CE1 3.59Å; N346-Y348 HydrophobicContact CB-CE2 3.91Å; N346-Y348 HydrophobicContact CB-CG 4.39Å; N346-Y348 VanDerWaalsContact CG-OH 3.27Å; N346-Y348 PolarHBondContact O-N 3.1Å; N346-Y348 VanDerWaalsContact O-N 3.08Å; N346-Y348 PolarHBondContact OD1-OH 3.2Å; Y348-I367 CarbonylContact O-C 3.57Å; Y348-I367 WeakPolarHBondContact O-CA 3.32Å; Y348-D368 PolarHBondContact O-N 3.32Å; Y348-S371 WeakPolarHBondContact CB-OG 3.43Å; Y348-L375 HydrophobicContact CD1-CD1 4.38Å; Y348-L375 HydrophobicContact CD2-CD1 3.33Å; Y348-L375 HydrophobicContact CD2-CD2 4.19Å; Y348-L375 HydrophobicContact CD2-CG 4.43Å; Y348-L375 HydrophobicContact CE1-CD2 4.32Å; Y348-L375 HydrophobicContact CE2-CD1 3.87Å; Y348-L375 HydrophobicContact CE2-CD2 3.92Å; Y348-L375 HydrophobicContact CG-CD1 3.63Å; Y348-L375 HydrophobicContact CG-CD2 4.5Å |
| 349 | F | 97.4 | Very high | 91.5 | Very high | 9 Ų | 9 | 86 Ų | 86 | 4% | 0.039 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 106.3 | 165.5 | -64.4 | -48.7 | 0 | 0 | 0 | 109.8 | A297 I300 V301 I304 N342 L343 N346 R347 W365 R366 I367 | A297-F349 HydrophobicContact CB-CE2 4.46Å; I300-F349 HydrophobicContact CB-CE1 4.08Å; I300-F349 HydrophobicContact CB-CE2 4.18Å; I300-F349 HydrophobicContact CB-CZ 3.61Å; I300-F349 HydrophobicContact CD1-CE2 3.99Å; I300-F349 HydrophobicContact CD1-CZ 4.3Å; I300-F349 HydrophobicContact CG2-CD1 3.92Å; I300-F349 HydrophobicContact CG2-CD2 4.45Å; I300-F349 HydrophobicContact CG2-CE1 3.36Å; I300-F349 HydrophobicContact CG2-CE2 3.96Å; I300-F349 HydrophobicContact CG2-CG 4.44Å; I300-F349 HydrophobicContact CG2-CZ 3.37Å; V301-F349 HydrophobicContact CG2-CE1 3.89Å; V301-F349 HydrophobicContact CG2-CZ 3.95Å; I304-F349 HydrophobicContact CD1-CD1 4.11Å; I304-F349 HydrophobicContact CD1-CE1 4.26Å; N342-F349 WeakPolarHBondContact O-CD2 3.22Å; L343-F349 HydrophobicContact CD2-CB 4.13Å; L343-F349 HydrophobicContact CD2-CD1 4.49Å; L343-F349 HydrophobicContact CD2-CD2 4.14Å; L343-F349 HydrophobicContact CD2-CG 4.02Å; N346-F349 HydrophobicContact CB-CD2 3.84Å; N346-F349 HydrophobicContact CB-CE2 4.17Å; N346-F349 PolarHBondContact O-N 3.44Å; R347-F349 PolarHBondContact O-N 3.38Å; F349-W365 HydrophobicContact CB-CE3 4.17Å; F349-W365 HydrophobicContact CB-CZ3 4.48Å; F349-R366 CarbonylContact C-O 3.58Å; F349-R366 WeakPolarHBondContact CA-O 3.48Å; F349-I367 HydrophobicContact CD1-CG1 4.34Å; F349-I367 HydrophobicContact CE1-CG1 4.23Å |
| 350 | L | 96.8 | Very high | 90.7 | Very high | 76 Ų | 76 | 87.7 Ų | 87.7 | 40% | 0.398 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 124.1 | -177.4 | -57.5 | -179.2 | 0 | 0 | 0 | 109.9 | W365 R366 D368 | L350-W365 WeakPolarHBondContact O-CA 3.38Å; L350-R366 PolarHBondContact N-O 2.97Å; L350-R366 PolarHBondContact O-N 3.04Å; L350-D368 HydrophobicContact CD1-CB 4.02Å; L350-D368 HydrophobicContact CG-CB 4.18Å |
| 351 | K | 96.6 | Very high | 89.9 | Confident | 148 Ų | 148 | 93 Ų | 93 | 64% | 0.643 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 120.8 | 172.3 | -174.9 | -167.7 | 170.2 | -165.6 | 0 | 109.2 | S363 W365 | K351-S363 WeakPolarHBondContact CE-OG 3.37Å; K351-W365 HydrophobicContact CB-CE3 4.1Å; K351-W365 HydrophobicContact CB-CH2 3.85Å; K351-W365 HydrophobicContact CB-CZ2 4.3Å; K351-W365 HydrophobicContact CB-CZ3 3.74Å; K351-W365 HydrophobicContact CG-CH2 4.19Å; K351-W365 HydrophobicContact CG-CZ2 4.18Å; K351-W365 HydrophobicContact CG-CZ3 4.49Å |
| 352 | V | 94.4 | Very high | 89.6 | Confident | 24 Ų | 24 | 90.6 Ų | 90.6 | 15% | 0.145 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.4 | -172.2 | 175.5 | 0 | 0 | 0 | 0 | 109.6 | S363 F364 R366 | V352-S363 VanDerWaalsContact O-CB 3.27Å; V352-S363 WeakPolarHBondContact O-CB 3.35Å; V352-F364 HydrophobicContact CB-CB 4.01Å; V352-F364 HydrophobicContact CG1-CB 4.31Å; V352-F364 PolarHBondContact N-O 3.46Å; V352-F364 PolarHBondContact O-N 3.24Å; V352-R366 HydrophobicContact CG2-CB 4.11Å; V352-R366 HydrophobicContact CG2-CG 4.12Å |
| 353 | A | 92 | Very high | 89.4 | Confident | 83 Ų | 83 | 90.9 Ų | 90.9 | 69% | 0.686 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 149.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 354 | R | 88.7 | Confident | 89.4 | Confident | 66 Ų | 66 | 92.6 Ų | 92.6 | 25% | 0.249 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 156.6 | 166.2 | -65.2 | -171.2 | 176.5 | -123.4 | 4.7 | 109.2 | E358 G360 K361 G362 F364 | R354-E358 WeakPolarHBondContact CD-O 3.46Å; R354-G360 WeakPolarHBondContact CD-O 3.36Å; R354-G360 VanDerWaalsContact CZ-C 3.47Å; R354-G360 PolarHBondContact NE-O 3.21Å; R354-G360 VanDerWaalsContact NE-O 3.1Å; R354-K361 PolarHBondContact NH2-O 3.25Å; R354-G362 PolarHBondContact NE-O 2.64Å; R354-F364 HydrophobicContact CG-CD2 3.99Å; R354-F364 HydrophobicContact CG-CE2 3.91Å |
| 355 | S | 84.8 | Confident | 89.4 | Confident | 65 Ų | 65 | 89.9 Ų | 89.9 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 153.1 | 156 | 42.9 | 0 | 0 | 0 | 0 | 110 | D357 | S355-D357 WeakPolarHBondContact CB-OD2 3.46Å; S355-D357 PolarHBondContact O-N 2.91Å |
| 356 | Q | 77.7 | Confident | 89.5 | Confident | 194 Ų | 194 | 90.5 Ų | 90.5 | 91% | 0.907 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -22.4 | 179.4 | -172.9 | 163.8 | -45.6 | 0 | 0 | 111.9 | E358 | Q356-E358 VanDerWaalsContact C-N 3.29Å; Q356-E358 PolarHBondContact O-N 2.73Å |
| 357 | D | 79.3 | Confident | 89.6 | Confident | 140 Ų | 140 | 89.6 Ų | 89.6 | 75% | 0.749 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -13.9 | -176.7 | -34.9 | -83.1 | 0 | 0 | 0 | 113.2 | S355 P359 | S355-D357 WeakPolarHBondContact CB-OD2 3.46Å; S355-D357 PolarHBondContact O-N 2.91Å; D357-P359 VanDerWaalsContact C-CD 3.49Å; D357-P359 WeakPolarHBondContact O-CD 3.41Å |
| 358 | E | 77.3 | Confident | 89.7 | Confident | 116 Ų | 116 | 80.9 Ų | 80.9 | 54% | 0.542 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -114.2 | 77.4 | -175.1 | -86.5 | -70.9 | 153.2 | 0 | 0 | 111.6 | R354 Q356 G360 | R354-E358 WeakPolarHBondContact CD-O 3.46Å; Q356-E358 VanDerWaalsContact C-N 3.29Å; Q356-E358 PolarHBondContact O-N 2.73Å; E358-G360 PolarHBondContact O-N 2.8Å |
| 359 | P | 71.6 | Confident | 89.6 | Confident | 130 Ų | 130 | 82.9 Ų | 82.9 | 84% | 0.844 | 45% | 0.453 | S | S | * | . | trans | -68.5 | 88.2 | -174.8 | 28.6 | -36.3 | 0 | 0 | 0 | 112 | D357 | D357-P359 VanDerWaalsContact C-CD 3.49Å; D357-P359 WeakPolarHBondContact O-CD 3.41Å | ||
| 360 | G | 81.1 | Confident | 89.5 | Confident | 37 Ų | 37 | 86.5 Ų | 86.5 | 38% | 0.381 | 49% | 0.485 | S | S | . | . | trans | -143.7 | 156.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R354 E358 G362 | R354-G360 WeakPolarHBondContact CD-O 3.36Å; R354-G360 VanDerWaalsContact CZ-C 3.47Å; R354-G360 PolarHBondContact NE-O 3.21Å; R354-G360 VanDerWaalsContact NE-O 3.1Å; E358-G360 PolarHBondContact O-N 2.8Å; G360-G362 PolarHBondContact O-N 2.69Å | ||
| 361 | K | 81.8 | Confident | 89.3 | Confident | 206 Ų | 206 | 83.9 Ų | 83.9 | 90% | 0.896 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -70.6 | 124.4 | -172 | -166.9 | 169.9 | -174.2 | 167.7 | 0 | 112.4 | R354 | R354-K361 PolarHBondContact NH2-O 3.25Š|
| 362 | G | 89.4 | Confident | 89.1 | Confident | 51 Ų | 51 | 78.9 Ų | 78.9 | 53% | 0.526 | 45% | 0.452 | S | S | . | . | S | Bend | trans | 74.2 | 173.1 | 171 | 0 | 0 | 0 | 0 | 0 | 115.3 | R354 G360 | R354-G362 PolarHBondContact NE-O 2.64Å; G360-G362 PolarHBondContact O-N 2.69Å |
| 363 | S | 94.6 | Very high | 89.1 | Confident | 32 Ų | 32 | 82.5 Ų | 82.5 | 22% | 0.224 | 48% | 0.478 | C | S | . | . | trans | -86.9 | 157.5 | -175.8 | -59.5 | 0 | 0 | 0 | 0 | 113.6 | K351 V352 | K351-S363 WeakPolarHBondContact CE-OG 3.37Å; V352-S363 VanDerWaalsContact O-CB 3.27Å; V352-S363 WeakPolarHBondContact O-CB 3.35Å | ||
| 364 | F | 96 | Very high | 89.2 | Confident | 39 Ų | 39 | 85.3 Ų | 85.3 | 17% | 0.171 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 157.5 | 162 | -73 | -80 | 0 | 0 | 0 | 110.6 | Q311 T313 V352 R354 | Q311-F364 HydrophobicContact CB-CB 4.43Å; Q311-F364 HydrophobicContact CB-CD1 4.32Å; Q311-F364 HydrophobicContact CG-CD1 3.79Å; Q311-F364 HydrophobicContact CG-CE1 4.25Å; Q311-F364 HydrophobicContact CG-CG 4.33Å; T313-F364 HydrophobicContact CG2-CD1 3.81Å; T313-F364 HydrophobicContact CG2-CE1 3.71Å; T313-F364 HydrophobicContact CG2-CG 4.47Å; T313-F364 HydrophobicContact CG2-CZ 4.3Å; V352-F364 HydrophobicContact CB-CB 4.01Å; V352-F364 HydrophobicContact CG1-CB 4.31Å; V352-F364 PolarHBondContact N-O 3.46Å; V352-F364 PolarHBondContact O-N 3.24Å; R354-F364 HydrophobicContact CG-CD2 3.99Å; R354-F364 HydrophobicContact CG-CE2 3.91Å |
| 365 | W | 97.6 | Very high | 89.4 | Confident | 37 Ų | 37 | 83.4 Ų | 83.4 | 14% | 0.14 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129 | 170.4 | -66.9 | 89.2 | 0 | 0 | 0 | 109.2 | I304 Q311 L312 I317 L343 F349 L350 K351 | I304-W365 HydrophobicContact CD1-CB 4.16Å; Q311-W365 CarbonylContact C-O 3.53Å; Q311-W365 VanDerWaalsContact CA-O 3.27Å; Q311-W365 WeakPolarHBondContact CA-O 3.45Å; L312-W365 PolarHBondContact N-O 2.96Å; L312-W365 PolarHBondContact O-N 3.34Å; I317-W365 HydrophobicContact CD1-CB 4.3Å; L343-W365 HydrophobicContact CB-CD2 4.2Å; L343-W365 HydrophobicContact CB-CE3 4.07Å; L343-W365 HydrophobicContact CB-CH2 3.88Å; L343-W365 HydrophobicContact CB-CZ2 4.03Å; L343-W365 HydrophobicContact CB-CZ3 3.9Å; L343-W365 HydrophobicContact CD1-CD2 4.22Å; L343-W365 HydrophobicContact CD1-CG 4.33Å; L343-W365 HydrophobicContact CD1-CZ2 4.49Å; L343-W365 HydrophobicContact CD2-CB 4.19Å; L343-W365 HydrophobicContact CD2-CD2 3.82Å; L343-W365 HydrophobicContact CD2-CE3 3.92Å; L343-W365 HydrophobicContact CD2-CG 3.94Å; L343-W365 HydrophobicContact CG-CD2 4.31Å; L343-W365 HydrophobicContact CG-CE3 4.49Å; L343-W365 VanDerWaalsContact O-CZ3 3.22Å; L343-W365 WeakPolarHBondContact O-CZ3 3.38Å; F349-W365 HydrophobicContact CB-CE3 4.17Å; F349-W365 HydrophobicContact CB-CZ3 4.48Å; L350-W365 WeakPolarHBondContact O-CA 3.38Å; K351-W365 HydrophobicContact CB-CE3 4.1Å; K351-W365 HydrophobicContact CB-CH2 3.85Å; K351-W365 HydrophobicContact CB-CZ2 4.3Å; K351-W365 HydrophobicContact CB-CZ3 3.74Å; K351-W365 HydrophobicContact CG-CH2 4.19Å; K351-W365 HydrophobicContact CG-CZ2 4.18Å; K351-W365 HydrophobicContact CG-CZ3 4.49Å |
| 366 | R | 96.9 | Very high | 89.9 | Confident | 116 Ų | 116 | 82.4 Ų | 82.4 | 44% | 0.438 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 160.2 | 173.6 | -80.7 | -165.7 | -103.8 | 162.8 | 3.8 | 110.7 | Q311 F349 L350 V352 | Q311-R366 HydrophobicContact CB-CG 3.33Å; F349-R366 CarbonylContact C-O 3.58Å; F349-R366 WeakPolarHBondContact CA-O 3.48Å; L350-R366 PolarHBondContact N-O 2.97Å; L350-R366 PolarHBondContact O-N 3.04Å; V352-R366 HydrophobicContact CG2-CB 4.11Å; V352-R366 HydrophobicContact CG2-CG 4.12Å |
| 367 | I | 97.3 | Very high | 90.6 | Very high | 14 Ų | 14 | 78.8 Ų | 78.8 | 7% | 0.072 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 143.7 | 163.4 | -60.3 | 159.5 | 0 | 0 | 0 | 107.8 | V301 I304 S305 Y348 F349 S369 E372 L375 | V301-I367 HydrophobicContact CB-CD1 4.36Å; V301-I367 HydrophobicContact CG1-CD1 3.95Å; V301-I367 HydrophobicContact CG2-CD1 4.31Å; I304-I367 HydrophobicContact CB-CD1 4.05Å; I304-I367 HydrophobicContact CB-CG1 4.23Å; I304-I367 HydrophobicContact CD1-CG1 4.27Å; I304-I367 HydrophobicContact CG2-CD1 3.97Å; I304-I367 HydrophobicContact CG2-CG1 3.94Å; S305-I367 VanDerWaalsContact OG-CD1 3.26Å; S305-I367 WeakPolarHBondContact OG-CD1 3.45Å; Y348-I367 CarbonylContact O-C 3.57Å; Y348-I367 WeakPolarHBondContact O-CA 3.32Å; F349-I367 HydrophobicContact CD1-CG1 4.34Å; F349-I367 HydrophobicContact CE1-CG1 4.23Å; I367-S369 PolarHBondContact O-N 3.43Å; I367-E372 HydrophobicContact CB-CG 4.46Å; I367-E372 HydrophobicContact CD1-CG 4.35Å; I367-E372 HydrophobicContact CG2-CB 3.97Å; I367-E372 HydrophobicContact CG2-CG 4.24Å; I367-L375 HydrophobicContact CG2-CD1 3.64Å |
| 368 | D | 96.6 | Very high | 91.2 | Very high | 58 Ų | 58 | 77 Ų | 77 | 31% | 0.31 | 43% | 0.431 | S | S | . | . | trans | -65.5 | 123.8 | 170.5 | 169 | 39.4 | 0 | 0 | 0 | 110.9 | Y348 L350 A370 S371 E372 | Y348-D368 PolarHBondContact O-N 3.32Å; L350-D368 HydrophobicContact CD1-CB 4.02Å; L350-D368 HydrophobicContact CG-CB 4.18Å; D368-A370 VanDerWaalsContact C-N 3.29Å; D368-A370 PolarHBondContact O-N 3.11Å; D368-S371 CarbonylContact O-C 3.57Å; D368-S371 WeakPolarHBondContact O-CA 3.39Å; D368-S371 PolarHBondContact O-N 3.44Å; D368-S371 PolarHBondContact O-OG 3.48Å; D368-E372 PolarHBondContact O-N 3.01Å | ||
| 369 | S | 94.9 | Very high | 91.9 | Very high | 99 Ų | 99 | 71.6 Ų | 71.6 | 69% | 0.692 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -57.1 | -37.9 | -173.2 | -176.7 | 0 | 0 | 0 | 0 | 113 | I367 S371 E372 | I367-S369 PolarHBondContact O-N 3.43Å; S369-S371 PolarHBondContact O-N 2.89Å; S369-S371 VanDerWaalsContact O-N 3.07Å; S369-E372 PolarHBondContact O-N 3.35Å |
| 370 | A | 94.1 | Very high | 92.8 | Very high | 86 Ų | 86 | 71.5 Ų | 71.5 | 71% | 0.711 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.1 | -14 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | D368 | D368-A370 VanDerWaalsContact C-N 3.29Å; D368-A370 PolarHBondContact O-N 3.11Å |
| 371 | S | 92.4 | Very high | 93.3 | Very high | 21 Ų | 21 | 76.5 Ų | 76.5 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -114.4 | -16.9 | -179.3 | 74.5 | 0 | 0 | 0 | 0 | 114.5 | Y348 D368 S369 S373 K374 L375 | Y348-S371 WeakPolarHBondContact CB-OG 3.43Å; D368-S371 CarbonylContact O-C 3.57Å; D368-S371 WeakPolarHBondContact O-CA 3.39Å; D368-S371 PolarHBondContact O-N 3.44Å; D368-S371 PolarHBondContact O-OG 3.48Å; S369-S371 PolarHBondContact O-N 2.89Å; S369-S371 VanDerWaalsContact O-N 3.07Å; S371-S373 PolarHBondContact O-N 3.27Å; S371-K374 PolarHBondContact O-N 3.47Å; S371-L375 WeakPolarHBondContact O-CG 3.41Å; S371-L375 PolarHBondContact O-N 3.33Å; S371-L375 VanDerWaalsContact OG-CD1 3.27Å; S371-L375 WeakPolarHBondContact OG-CD1 3.41Å |
| 372 | E | 93.6 | Very high | 93.4 | Very high | 43 Ų | 43 | 73.8 Ų | 73.8 | 20% | 0.201 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -54.6 | -55.5 | -167.9 | -173 | -179.3 | 179.3 | 0 | 0 | 112.4 | S305 K310 I367 D368 S369 K374 L375 V376 | S305-E372 PolarHBondContact OG-OE1 3.34Å; K310-E372 IonicContact NZ-OE1 3.89Å; K310-E372 PolarHBondContact NZ-OE1 3.05Å; I367-E372 HydrophobicContact CB-CG 4.46Å; I367-E372 HydrophobicContact CD1-CG 4.35Å; I367-E372 HydrophobicContact CG2-CB 3.97Å; I367-E372 HydrophobicContact CG2-CG 4.24Å; D368-E372 PolarHBondContact O-N 3.01Å; S369-E372 PolarHBondContact O-N 3.35Å; E372-K374 VanDerWaalsContact C-N 3.27Å; E372-K374 PolarHBondContact O-N 3.02Å; E372-L375 PolarHBondContact O-N 3.44Å; E372-V376 HydrophobicContact CG-CG2 3.87Å; E372-V376 WeakPolarHBondContact O-CG2 3.47Å; E372-V376 PolarHBondContact O-N 2.95Å |
| 373 | S | 93.8 | Very high | 92.6 | Very high | 99 Ų | 99 | 78 Ų | 78 | 69% | 0.692 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -55.9 | -41.6 | -175.7 | -43 | 0 | 0 | 0 | 0 | 112.6 | S371 E377 | S371-S373 PolarHBondContact O-N 3.27Å; S373-E377 WeakPolarHBondContact O-CB 3.47Å; S373-E377 PolarHBondContact O-N 3.31Å; S373-E377 VanDerWaalsContact O-N 3.11Å |
| 374 | K | 94.1 | Very high | 91.3 | Very high | 142 Ų | 142 | 87.5 Ų | 87.5 | 62% | 0.617 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.5 | -36.3 | 178.9 | -65.5 | 169.4 | -177.8 | 163.7 | 0 | 111.7 | S371 E372 Q378 | S371-K374 PolarHBondContact O-N 3.47Å; E372-K374 VanDerWaalsContact C-N 3.27Å; E372-K374 PolarHBondContact O-N 3.02Å; K374-Q378 VanDerWaalsContact O-CG 3.24Å; K374-Q378 WeakPolarHBondContact O-CG 3.4Å; K374-Q378 PolarHBondContact O-N 3.12Å |
| 375 | L | 93.7 | Very high | 89.4 | Confident | 26 Ų | 26 | 94.5 Ų | 94.5 | 14% | 0.136 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -73.8 | -42.2 | 178.3 | -72.2 | 169.7 | 0 | 0 | 0 | 111.8 | V301 Y348 I367 S371 E372 Q378 A379 | V301-L375 HydrophobicContact CG1-CB 4.2Å; V301-L375 HydrophobicContact CG2-CB 4.13Å; Y348-L375 HydrophobicContact CD1-CD1 4.38Å; Y348-L375 HydrophobicContact CD2-CD1 3.33Å; Y348-L375 HydrophobicContact CD2-CD2 4.19Å; Y348-L375 HydrophobicContact CD2-CG 4.43Å; Y348-L375 HydrophobicContact CE1-CD2 4.32Å; Y348-L375 HydrophobicContact CE2-CD1 3.87Å; Y348-L375 HydrophobicContact CE2-CD2 3.92Å; Y348-L375 HydrophobicContact CG-CD1 3.63Å; Y348-L375 HydrophobicContact CG-CD2 4.5Å; I367-L375 HydrophobicContact CG2-CD1 3.64Å; S371-L375 WeakPolarHBondContact O-CG 3.41Å; S371-L375 PolarHBondContact O-N 3.33Å; S371-L375 VanDerWaalsContact OG-CD1 3.27Å; S371-L375 WeakPolarHBondContact OG-CD1 3.41Å; E372-L375 PolarHBondContact O-N 3.44Å; L375-Q378 CarbonylContact O-C 3.57Å; L375-Q378 PolarHBondContact O-N 2.98Å; L375-Q378 VanDerWaalsContact O-N 3.15Å; L375-A379 WeakPolarHBondContact O-CB 3.48Å; L375-A379 PolarHBondContact O-N 3.24Å |
| 376 | V | 94.1 | Very high | 87.4 | Confident | 45 Ų | 45 | 102.6 Ų | 102.6 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | V301 S305 E372 Q378 A379 | V301-V376 HydrophobicContact CG1-CG2 4.18Å; S305-V376 VanDerWaalsContact OG-CG2 3.23Å; S305-V376 WeakPolarHBondContact OG-CG2 2.89Å; E372-V376 HydrophobicContact CG-CG2 3.87Å; E372-V376 WeakPolarHBondContact O-CG2 3.47Å; E372-V376 PolarHBondContact O-N 2.95Å; V376-Q378 PolarHBondContact O-N 3.15Å; V376-A379 VanDerWaalsContact O-CB 3.3Å; V376-A379 WeakPolarHBondContact O-CB 3.41Å; V376-A379 PolarHBondContact O-N 3.16Å |
| 377 | E | 92.8 | Very high | 84.9 | Confident | 118 Ų | 118 | 100 Ų | 100 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.4 | -30.2 | 176.7 | -157.1 | -148.1 | 162.8 | 0 | 0 | 112.7 | S373 R381 | S373-E377 WeakPolarHBondContact O-CB 3.47Å; S373-E377 PolarHBondContact O-N 3.31Å; S373-E377 VanDerWaalsContact O-N 3.11Å; E377-R381 VanDerWaalsContact CD-NH2 3.34Å; E377-R381 WeakPolarHBondContact O-CG 3.48Å; E377-R381 PolarHBondContact O-NE 3.1Å; E377-R381 IonicContact OE1-CZ 3.5Å; E377-R381 IonicContact OE1-NH2 3.78Å; E377-R381 PolarHBondContact OE1-NH2 3.11Å; E377-R381 IonicContact OE2-NH2 3.67Å |
| 378 | Q | 92.4 | Very high | 82.3 | Confident | 103 Ų | 103 | 105.9 Ų | 105.9 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -87.2 | -17.3 | 175.4 | -68.7 | 177.9 | 29.7 | 0 | 0 | 113.6 | Q298 K374 L375 V376 F380 R381 | Q298-Q378 PolarHBondContact NE2-O 3.27Å; K374-Q378 VanDerWaalsContact O-CG 3.24Å; K374-Q378 WeakPolarHBondContact O-CG 3.4Å; K374-Q378 PolarHBondContact O-N 3.12Å; L375-Q378 CarbonylContact O-C 3.57Å; L375-Q378 PolarHBondContact O-N 2.98Å; L375-Q378 VanDerWaalsContact O-N 3.15Å; V376-Q378 PolarHBondContact O-N 3.15Å; Q378-F380 VanDerWaalsContact C-N 3.32Å; Q378-F380 PolarHBondContact O-N 3.18Å; Q378-R381 PolarHBondContact O-N 2.87Å |
| 379 | A | 91.8 | Very high | 79.8 | Confident | 1 Ų | 1 | 107.7 Ų | 107.7 | 1% | 0.008 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -64.1 | -36.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V301 Q302 L375 V376 | V301-A379 HydrophobicContact CB-CB 4.07Å; V301-A379 HydrophobicContact CG1-CB 3.65Å; Q302-A379 HydrophobicContact CG-CB 4Å; Q302-A379 PolarHBondContact NE2-O 3.4Å; L375-A379 WeakPolarHBondContact O-CB 3.48Å; L375-A379 PolarHBondContact O-N 3.24Å; V376-A379 VanDerWaalsContact O-CB 3.3Å; V376-A379 WeakPolarHBondContact O-CB 3.41Å; V376-A379 PolarHBondContact O-N 3.16Å |
| 380 | F | 91 | Very high | 77.3 | Confident | 128 Ų | 128 | 108 Ų | 108 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -6.3 | -179.3 | -59.1 | -80.3 | 0 | 0 | 0 | 113.7 | Q302 Q378 K382 | Q302-F380 HydrophobicContact CG-CD1 4.41Å; Q302-F380 HydrophobicContact CG-CE1 3.95Å; Q302-F380 HydrophobicContact CG-CZ 4.09Å; Q378-F380 VanDerWaalsContact C-N 3.32Å; Q378-F380 PolarHBondContact O-N 3.18Å; F380-K382 PolarHBondContact O-N 2.94Å |
| 381 | R | 89.8 | Confident | 75.1 | Confident | 142 Ų | 142 | 113.5 Ų | 113.5 | 54% | 0.536 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -71.8 | 99 | 177.2 | -66.4 | -178.5 | -178 | -152.5 | -3.9 | 109.9 | Q298 E377 Q378 R383 | Q298-R381 PolarHBondContact NE2-O 2.66Å; E377-R381 VanDerWaalsContact CD-NH2 3.34Å; E377-R381 WeakPolarHBondContact O-CG 3.48Å; E377-R381 PolarHBondContact O-NE 3.1Å; E377-R381 IonicContact OE1-CZ 3.5Å; E377-R381 IonicContact OE1-NH2 3.78Å; E377-R381 PolarHBondContact OE1-NH2 3.11Å; E377-R381 IonicContact OE2-NH2 3.67Å; Q378-R381 PolarHBondContact O-N 2.87Å; R381-R383 PolarHBondContact O-N 3.38Å |
| 382 | K | 83.7 | Confident | 72.8 | Confident | 149 Ų | 149 | 124 Ų | 124 | 65% | 0.648 | 60% | 0.597 | S | S | * | * | trans | -49.4 | 121.2 | 176.5 | -66.7 | -176.8 | 178.8 | 177.2 | 0 | 110.1 | P293 Y294 F380 R384 | P293-K382 HydrophobicContact CB-CB 4.49Å; P293-K382 HydrophobicContact CG-CB 4.22Å; P293-K382 HydrophobicContact CG-CD 4.11Å; P293-K382 HydrophobicContact CG-CG 3.97Å; Y294-K382 HydrophobicContact CE1-CB 4.37Å; Y294-K382 HydrophobicContact CE1-CG 3.74Å; F380-K382 PolarHBondContact O-N 2.94Å; K382-R384 PolarHBondContact O-N 3.19Å; K382-R384 VanDerWaalsContact O-N 3.13Å | ||
| 383 | R | 74.3 | Confident | 70.6 | Confident | 140 Ų | 140 | 127.2 Ų | 127.2 | 53% | 0.528 | 62% | 0.62 | S | S | . | * | trans | -68.6 | 112.7 | -179.1 | 176.4 | 169.7 | 172.6 | 161.4 | -4.7 | 108.5 | P293 R381 Q385 | P293-R383 WeakPolarHBondContact O-CB 3.34Å; P293-R383 PolarHBondContact O-N 3.21Å; R381-R383 PolarHBondContact O-N 3.38Å; R383-Q385 PolarHBondContact O-N 2.87Å | ||
| 384 | R | 65.7 | Low | 68.5 | Low | 231 Ų | 231 | 127.9 Ų | 127.9 | 87% | 0.872 | 62% | 0.621 | S | S | * | * | trans | -49 | 131.8 | 164.2 | -73.2 | -170.1 | -179.8 | -165.7 | 0.3 | 107.8 | K382 R386 | K382-R384 PolarHBondContact O-N 3.19Å; K382-R384 VanDerWaalsContact O-N 3.13Å; R384-R386 PolarHBondContact O-N 3.24Å | ||
| 385 | Q | 57.6 | Low | 66.2 | Low | 186 Ų | 186 | 129.8 Ų | 129.8 | 87% | 0.869 | 63% | 0.63 | S | S | * | * | trans | -50.6 | 106.1 | 167.4 | -72.9 | -76.3 | 12.6 | 0 | 0 | 106.9 | R383 G387 | R383-Q385 PolarHBondContact O-N 2.87Å; Q385-G387 VanDerWaalsContact C-N 3.3Å; Q385-G387 PolarHBondContact O-N 3.28Å | ||
| 386 | R | 55.3 | Low | 63.7 | Low | 207 Ų | 207 | 132.1 Ų | 132.1 | 78% | 0.781 | 66% | 0.661 | S | S | * | * | trans | -68.8 | 104.5 | 164 | -71.5 | -166.5 | -172.6 | -170.6 | 2.8 | 102.8 | R384 V388 | R384-R386 PolarHBondContact O-N 3.24Å; R386-V388 PolarHBondContact O-N 3.5Å | ||
| 387 | G | 43.2 | Very low | 61.6 | Low | 62 Ų | 62 | 135.7 Ų | 135.7 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | trans | -45.5 | 138.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q385 A389 | Q385-G387 VanDerWaalsContact C-N 3.3Å; Q385-G387 PolarHBondContact O-N 3.28Å; G387-A389 PolarHBondContact O-N 2.92Å | ||
| 388 | V | 42.6 | Very low | 59.7 | Low | 137 Ų | 137 | 138.2 Ų | 138.2 | 83% | 0.83 | 70% | 0.701 | S | S | * | * | trans | -45.1 | 135.4 | 174.1 | -175.5 | 0 | 0 | 0 | 0 | 107.1 | R386 C390 | R386-V388 PolarHBondContact O-N 3.5Å; V388-C390 PolarHBondContact O-N 2.75Å | ||
| 389 | A | 45 | Very low | 57.2 | Low | 97 Ų | 97 | 139.3 Ų | 139.3 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | trans | -66.3 | 81.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | G387 F391 | G387-A389 PolarHBondContact O-N 2.92Å; A389-F391 PolarHBondContact O-N 2.96Å | ||
| 390 | C | 43.3 | Very low | 55.1 | Low | 105 Ų | 105 | 144.6 Ų | 144.6 | 71% | 0.709 | 76% | 0.757 | S | S | * | * | trans | -54.1 | 137.9 | 167.4 | 48 | 0 | 0 | 0 | 0 | 107.3 | V388 R392 | V388-C390 PolarHBondContact O-N 2.75Å; C390-R392 PolarHBondContact O-N 3.11Å | ||
| 391 | F | 46.9 | Very low | 52.7 | Low | 202 Ų | 202 | 150.3 Ų | 150.3 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | trans | -54.1 | 115.3 | 177.2 | -76.2 | -104.4 | 0 | 0 | 0 | 107.8 | A389 T393 | A389-F391 PolarHBondContact O-N 2.96Å; F391-T393 VanDerWaalsContact C-N 3.29Å; F391-T393 PolarHBondContact O-N 2.83Å | ||
| 392 | R | 43.4 | Very low | 50.3 | Low | 240 Ų | 240 | 149.2 Ų | 149.2 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -67.1 | 97.3 | 167.7 | -76.3 | -172.6 | 178.2 | -88.6 | 4.9 | 106.6 | C390 | C390-R392 PolarHBondContact O-N 3.11Š| ||
| 393 | T | 48.5 | Very low | 48.5 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | trans | -55.5 | 128.5 | 168.8 | 41.6 | 0 | 0 | 0 | 0 | 108.4 | F391 F395 | F391-T393 VanDerWaalsContact C-N 3.29Å; F391-T393 PolarHBondContact O-N 2.83Å; T393-F395 PolarHBondContact O-N 3.16Å | ||
| 394 | P | 49.6 | Very low | 47.2 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -75.8 | 9.6 | -171.3 | 28.8 | -34.2 | 0 | 0 | 0 | 114.5 | ||
| 395 | F | 45.6 | Very low | 46.2 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 80% | 0.803 | 80% | 0.804 | S | S | * | * | trans | -140 | 135.1 | -179.1 | -57.1 | -74.9 | 0 | 0 | 0 | 110.1 | T393 | T393-F395 PolarHBondContact O-N 3.16Š| ||
| 396 | G | 40.8 | Very low | 45.1 | Very low | 75 Ų | 75 | 136.3 Ų | 136.3 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 130.5 | 130.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 397 | P | 51.1 | Low | 45 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -119.6 | 174 | -148.9 | 43.7 | -32.8 | 0 | 0 | 0 | 116.3 | ||||
| 398 | L | 52.8 | Low | 44.9 | Very low | 170 Ų | 170 | 135 Ų | 135 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | 58.4 | 91.1 | 164.4 | -55 | -176.2 | 0 | 0 | 0 | 118.5 | ||||
| 399 | S | 39.3 | Very low | 44.6 | Very low | 126 Ų | 126 | 136 Ų | 136 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | trans | -155.3 | 131.1 | 136 | -155.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 400 | S | 47.5 | Very low | 44.2 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -69.5 | 128.4 | -163.5 | -50.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 401 | R | 40.7 | Very low | 43.7 | Very low | 248 Ų | 248 | 137.9 Ų | 137.9 | 94% | 0.936 | 80% | 0.804 | S | S | * | * | trans | -141.8 | 95.8 | 150.6 | -80.8 | -160.4 | 161.9 | -106.6 | -11.7 | 110.9 | ||||
| 402 | S | 39.9 | Very low | 43.2 | Very low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 135.1 | 170.1 | -38.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 403 | A | 45.5 | Very low | 42.8 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 146.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 404 | P | 46.8 | Very low | 42.5 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 84% | 0.844 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 128.9 | 171.6 | 30 | -32.7 | 0 | 0 | 0 | 109.8 | ||
| 405 | A | 44.7 | Very low | 42.7 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87 | 144.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 406 | S | 34.7 | Very low | 42.1 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 150.3 | 169.8 | -67.5 | 0 | 0 | 0 | 0 | 111 | ||
| 407 | P | 53.6 | Low | 41.7 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 172.6 | -174 | 36 | -37.5 | 0 | 0 | 0 | 113.9 | ||
| 408 | T | 40 | Very low | 41.1 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | 79.4 | 135.1 | 165 | -44.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 409 | H | 36.2 | Very low | 40.1 | Very low | 160 Ų | 160 | 125.5 Ų | 125.5 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | cis | -126.6 | 174.3 | 12.2 | -161.2 | -95.7 | 0 | 0 | 0 | 113.8 | ||||
| 410 | Q | 37.2 | Very low | 40.1 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -79.3 | 160.7 | 175.7 | -54.9 | 158.1 | -35.5 | 0 | 0 | 113.1 | ||||
| 411 | G | 33.7 | Very low | 39.3 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 147.4 | 86.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 412 | L | 36.2 | Very low | 39.3 | Very low | 162 Ų | 162 | 125.6 Ų | 125.6 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | 37.6 | 130 | 139 | -64.7 | 172.2 | 0 | 0 | 0 | 123.4 | ||||
| 413 | L | 35.5 | Very low | 39.5 | Very low | 147 Ų | 147 | 126 Ų | 126 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | 69.8 | 110.5 | 139.9 | -61.7 | 171.2 | 0 | 0 | 0 | 122.1 | ||||
| 414 | S | 40.4 | Very low | 38.9 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 65.3 | 145.5 | 130.8 | -57.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 415 | P | 54.5 | Low | 38.2 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -95.9 | 162.8 | -177.9 | 38.7 | -36.3 | 0 | 0 | 0 | 114.2 | ||||
| 416 | S | 32.3 | Very low | 37.6 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -159.1 | 149.4 | 159.9 | -80.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 417 | S | 34.3 | Very low | 37.6 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 35.9 | 117 | 160 | 54.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 418 | S | 37.5 | Very low | 36.8 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | 69.4 | 119.8 | 54.7 | -52.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 419 | G | 31.9 | Very low | 36.4 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 145.2 | 80.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 420 | L | 38.2 | Very low | 36.2 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | 50.4 | 97.2 | 82.1 | -63.5 | -179.7 | 0 | 0 | 0 | 113.7 | |||||
| 421 | Q | 32.6 | Very low | 36.1 | Very low | 193 Ų | 193 | 131.8 Ų | 131.8 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | -176.2 | 138 | 109.7 | -97.1 | 165.9 | 10.1 | 0 | 0 | 111.4 | |||||
| 422 | T | 40.4 | Very low | 36.7 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -85.3 | 158.7 | 153.7 | 47.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 423 | P | 44.1 | Very low | 36.7 | Very low | 127 Ų | 127 | 134.4 Ų | 134.4 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | -134.2 | 173.6 | 96.6 | 37.3 | -27.2 | 0 | 0 | 0 | 113.8 | |||||
| 424 | E | 32.4 | Very low | 37 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -84.8 | 173.9 | -179.5 | -67.7 | 174.9 | 75.3 | 0 | 0 | 113.9 | ||||
| 425 | C | 32.3 | Very low | 36.6 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | trans | 91.8 | 126.2 | 135.7 | -98.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 426 | L | 31.5 | Very low | 35.4 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | 71.9 | 150.9 | 159.1 | -50.2 | 177.1 | 0 | 0 | 0 | 115.3 | ||||
| 427 | S | 35.9 | Very low | 35.5 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | cis | -126.8 | 172.9 | 16.4 | -72 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 428 | R | 36.7 | Very low | 35.4 | Very low | 213 Ų | 213 | 142.6 Ų | 142.6 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -134.3 | 137 | -174.6 | 178.2 | -165.2 | 162 | 177.2 | -4.3 | 108.4 | ||||
| 429 | E | 30.7 | Very low | 35.1 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 64.1 | 158.8 | -175.5 | -44.1 | -149.9 | 60.7 | 0 | 0 | 114.1 | ||||
| 430 | G | 32.3 | Very low | 35 | Very low | 62 Ų | 62 | 148.8 Ų | 148.8 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | cis | 175.3 | 138.8 | -8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 431 | S | 34.4 | Very low | 34.7 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -115 | 123.7 | -169.1 | -61.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 432 | P | 47.2 | Very low | 34.7 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -86.1 | 167.1 | 156.7 | 34.7 | -31.4 | 0 | 0 | 0 | 112.4 | ||||
| 433 | I | 35.7 | Very low | 34.4 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | trans | -107.6 | 141.3 | 177.8 | -62.5 | 163.2 | 0 | 0 | 0 | 105.1 | ||||
| 434 | P | 41.8 | Very low | 33.8 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | -157 | 161.7 | 66.2 | 37.8 | -14.5 | 0 | 0 | 0 | 120 | |||||
| 435 | Q | 31.7 | Very low | 33.7 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | 169.6 | 160.1 | 107.2 | -88.2 | -165.7 | -106.1 | 0 | 0 | 112.4 | |||||
| 436 | D | 30 | Very low | 33.6 | Very low | 138 Ų | 138 | 144.6 Ų | 144.6 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -64.2 | 161.8 | 178.2 | -65.7 | -100.2 | 0 | 0 | 0 | 115.1 | ||||
| 437 | H | 33.5 | Very low | 33.6 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | 179.5 | 137.1 | 112.9 | -90 | -62.3 | 0 | 0 | 0 | 114 | |||||
| 438 | H | 32.8 | Very low | 33.4 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | 72.5 | 109.8 | 148.5 | -132.8 | 30.3 | 0 | 0 | 0 | 123.1 | ||||
| 439 | E | 30.4 | Very low | 33.8 | Very low | 148 Ų | 148 | 138 Ų | 138 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | 23.2 | 120.8 | 139.6 | -66.6 | 174.6 | 99 | 0 | 0 | 124.3 | ||||
| 440 | Q | 30.7 | Very low | 34 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | 36.7 | 118.5 | 129.4 | -60.8 | -172.5 | -3.6 | 0 | 0 | 121.4 | |||||
| 441 | L | 32.5 | Very low | 33.9 | Very low | 176 Ų | 176 | 142.3 Ų | 142.3 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -141.4 | 144.9 | 134 | -159.5 | 67.6 | 0 | 0 | 0 | 112.5 | ||||
| 442 | A | 32.4 | Very low | 33.9 | Very low | 79 Ų | 79 | 145.3 Ų | 145.3 | 65% | 0.653 | 77% | 0.77 | S | S | * | * | trans | -67.5 | 164.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 443 | S | 32.5 | Very low | 33.4 | Very low | 104 Ų | 104 | 147.9 Ų | 147.9 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -178.4 | 150.4 | -15.4 | -94.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 444 | K | 32.3 | Very low | 33.2 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | 160.1 | 142 | 128.1 | -91.1 | 173.6 | -179.3 | -179.3 | 0 | 115.1 | |||||
| 445 | L | 30.6 | Very low | 33.2 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 65.2 | 94.9 | 152.4 | -63.2 | 168.6 | 0 | 0 | 0 | 120.4 | ||||
| 446 | A | 29.9 | Very low | 33.3 | Very low | 94 Ų | 94 | 145.1 Ų | 145.1 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | 54.3 | 145.5 | 123.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 447 | S | 32 | Very low | 33.8 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | cis | -178.5 | 146.2 | -15.1 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 448 | V | 31.9 | Very low | 34.6 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | trans | 71.5 | 142.3 | 164.6 | 175.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 449 | P | 43.8 | Very low | 34.4 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | cis | -133.1 | 152.7 | 32.4 | 38.8 | -20.3 | 0 | 0 | 0 | 121 | ||||
| 450 | E | 35.2 | Very low | 34.6 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | trans | 9.6 | 126.5 | 139.2 | -85.9 | -178.4 | 117 | 0 | 0 | 125.2 | ||||
| 451 | Y | 31.1 | Very low | 35.6 | Very low | 168 Ų | 168 | 132 Ų | 132 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | 83.1 | 114.6 | 120.8 | -89.4 | -139.2 | 0 | 0 | 0 | 124.7 | |||||
| 452 | R | 34.6 | Very low | 35.6 | Very low | 191 Ų | 191 | 130.1 Ų | 130.1 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | 62.6 | 106.4 | 128 | -62.8 | -168.2 | -164.8 | -159 | 9.6 | 122.4 | |||||
| 453 | Y | 36.2 | Very low | 35.6 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | 43.6 | 128.2 | 98 | -149 | -89.6 | 0 | 0 | 0 | 120 | Q455 | Y453-Q455 HydrophobicContact CE1-CB 4.03Å; Y453-Q455 HydrophobicContact CE1-CG 4.14Å; Y453-Q455 PolarHBondContact OH-NE2 2.92Å | |||
| 454 | S | 31.1 | Very low | 35.7 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -152.6 | 148.8 | 153.7 | -78.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 455 | Q | 42.8 | Very low | 35.6 | Very low | 145 Ų | 145 | 129.2 Ų | 129.2 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -125.6 | 160.8 | -170.1 | -134.2 | -164.8 | 80.5 | 0 | 0 | 110.9 | Y453 | Y453-Q455 HydrophobicContact CE1-CB 4.03Å; Y453-Q455 HydrophobicContact CE1-CG 4.14Å; Y453-Q455 PolarHBondContact OH-NE2 2.92Å | ||
| 456 | S | 33.4 | Very low | 35.7 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -149 | 147.4 | 165.5 | -79.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 457 | A | 39.3 | Very low | 36.1 | Very low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | -96.8 | -163.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 458 | P | 50.3 | Low | 36.4 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 87% | 0.87 | 77% | 0.769 | S | S | * | * | cis | -141.6 | -177.5 | 12.2 | 43.7 | -23.9 | 0 | 0 | 0 | 117.5 | ||||
| 459 | G | 30.1 | Very low | 36.6 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | 179.2 | 159.8 | 169 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 460 | S | 33.2 | Very low | 36 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | trans | -152.3 | 152 | -179.6 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 461 | P | 51.8 | Low | 35.8 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | -155.3 | 157.7 | 111.2 | 39.3 | -20.8 | 0 | 0 | 0 | 119.1 | |||||
| 462 | V | 33.2 | Very low | 36.9 | Very low | 137 Ų | 137 | 130 Ų | 130 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | 14.8 | 128.3 | 140.1 | -175.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 463 | S | 33.3 | Very low | 37.5 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | -175.2 | 177.3 | 116.1 | -154.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 464 | A | 33 | Very low | 37.5 | Very low | 77 Ų | 77 | 126.4 Ų | 126.4 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -75.2 | -174 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 465 | Q | 31.6 | Very low | 38.3 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -165.8 | 146.2 | 16.9 | -149.8 | 156.6 | -63.2 | 0 | 0 | 108 | ||||
| 466 | H | 32.4 | Very low | 37.8 | Very low | 160 Ų | 160 | 125.1 Ų | 125.1 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | 170.3 | 169.1 | 89.1 | -111.3 | -77.8 | 0 | 0 | 0 | 110.8 | |||||
| 467 | V | 38.2 | Very low | 37.8 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -128.5 | 139.7 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 468 | I | 37 | Very low | 37.5 | Very low | 163 Ų | 163 | 128.8 Ų | 128.8 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -142.9 | 142.6 | 165.5 | -59.8 | -177.2 | 0 | 0 | 0 | 109.6 | ||||
| 469 | M | 36.3 | Very low | 36.6 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | -118.6 | 141.9 | 166.5 | -70.3 | -144.9 | -56.6 | 0 | 0 | 111.1 | ||||
| 470 | A | 30.8 | Very low | 37.5 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | -165 | 147.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 471 | A | 31.4 | Very low | 37.7 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -167.3 | 168.9 | 163 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 472 | P | 55.6 | Low | 36.8 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | cis | -115 | -154.4 | -10.4 | 34.4 | -13.9 | 0 | 0 | 0 | 111.1 | ||||
| 473 | P | 47.2 | Very low | 36.7 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | -148.2 | 176.3 | 91.6 | 38.9 | -21 | 0 | 0 | 0 | 116.5 | |||||
| 474 | H | 34.9 | Very low | 36.6 | Very low | 171 Ų | 171 | 135 Ų | 135 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -110.2 | 165.6 | 171.9 | -86.9 | -73.9 | 0 | 0 | 0 | 111.7 | ||||
| 475 | P | 48.3 | Very low | 36.6 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | -141.5 | -172.3 | 104.8 | 40 | -28.7 | 0 | 0 | 0 | 113.8 | |||||
| 476 | T | 32.9 | Very low | 36.6 | Very low | 121 Ų | 121 | 136 Ų | 136 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | -178.3 | 171 | -53.7 | -68.7 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 477 | V | 33.4 | Very low | 36.7 | Very low | 126 Ų | 126 | 133 Ų | 133 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | trans | 83.7 | 125.4 | 171.7 | -179.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 478 | L | 33.1 | Very low | 37.4 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | cis | -148.6 | -178.3 | -2.7 | -120.6 | 172.6 | 0 | 0 | 0 | 112.5 | ||||
| 479 | K | 31.2 | Very low | 37.3 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -116.3 | 169.8 | -175.7 | -116.6 | 173.7 | -174.6 | 175.9 | 0 | 110.2 | ||||
| 480 | P | 49.3 | Very low | 38 | Very low | 107 Ų | 107 | 129.6 Ų | 129.6 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | -150.2 | 153.4 | 57 | 45.9 | -25.1 | 0 | 0 | 0 | 117.1 | |||||
| 481 | I | 37.5 | Very low | 38.1 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | 71.3 | 130.6 | 104 | -60.2 | 176.6 | 0 | 0 | 0 | 113.9 | |||||
| 482 | N | 31.2 | Very low | 38.3 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 68% | 0.684 | 75% | 0.751 | S | S | * | * | cis | -157.8 | 173.4 | 22.3 | -136.4 | -10.4 | 0 | 0 | 0 | 116.3 | ||||
| 483 | M | 31.6 | Very low | 37.4 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | trans | 60.9 | 112.9 | 148.8 | -66.6 | -51.5 | 167 | 0 | 0 | 125.4 | ||||
| 484 | L | 30.7 | Very low | 36.8 | Very low | 141 Ų | 141 | 135.1 Ų | 135.1 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | 74.4 | 133.9 | 115.9 | -128.5 | 73.2 | 0 | 0 | 0 | 125 | |||||
| 485 | Q | 33.1 | Very low | 36.9 | Very low | 159 Ų | 159 | 133 Ų | 133 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | 85.8 | 102.2 | 139.9 | -141.4 | 131.1 | -5 | 0 | 0 | 124.1 | ||||
| 486 | S | 31.4 | Very low | 36.3 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | 15.1 | 127.4 | 144 | 67.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 487 | A | 34.8 | Very low | 36.4 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | 74.4 | 158.1 | 124.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 488 | P | 54.3 | Low | 36.3 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | trans | -123.8 | 158.2 | -161.7 | 41.6 | -28.2 | 0 | 0 | 0 | 116.9 | ||||
| 489 | Q | 34.2 | Very low | 36.4 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -163.3 | 158.8 | 140.6 | -85 | -39 | -53.6 | 0 | 0 | 111.3 | ||||
| 490 | P | 50.4 | Low | 36.5 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -112.7 | 153.8 | 172.6 | 39.1 | -29.3 | 0 | 0 | 0 | 114.5 | ||||
| 491 | S | 34.1 | Very low | 35.9 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -155.9 | 120.6 | 164.3 | 54.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 492 | V | 35.3 | Very low | 36.7 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 78% | 0.782 | 77% | 0.771 | S | S | * | * | 80.3 | 126 | 91.3 | 172.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 493 | T | 37 | Very low | 36.7 | Very low | 146 Ų | 146 | 134 Ų | 134 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | -145.1 | 152.4 | 150.6 | -62.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 494 | M | 34.3 | Very low | 36.8 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 83% | 0.833 | 78% | 0.779 | S | S | * | * | trans | -135.2 | -161.6 | -162.1 | -142.6 | -160.1 | -145.3 | 0 | 0 | 112.3 | ||||
| 495 | V | 35.8 | Very low | 36.8 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 80.7 | 134.8 | 173.6 | 179.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 496 | R | 36.1 | Very low | 37 | Very low | 227 Ų | 227 | 128.3 Ų | 128.3 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | cis | -158.4 | -160.7 | -17.3 | -110.8 | -172.9 | 172.6 | 163.2 | -2.7 | 108.4 | ||||
| 497 | V | 34.6 | Very low | 38 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | -164.7 | 130.3 | -98.6 | 149.2 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 498 | V | 32.1 | Very low | 39.2 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -152.6 | 172.6 | 172.3 | -136.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 499 | T | 35.3 | Very low | 38.4 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | trans | -159.3 | 171 | 178.3 | -162.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 500 | S | 34 | Very low | 38.3 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | cis | -163.2 | -163.8 | 19.5 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 501 | A | 35.8 | Very low | 37.5 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | 89.5 | 157.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 502 | P | 55.4 | Low | 37.5 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -137.6 | -171.2 | -156.1 | 41.8 | -21.7 | 0 | 0 | 0 | 117.7 | ||||
| 503 | L | 31.6 | Very low | 37.4 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 105.6 | 148.7 | 142.8 | -147.8 | 76.2 | 0 | 0 | 0 | 120.2 | ||||
| 504 | V | 32.4 | Very low | 37.1 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 71% | 0.709 | 77% | 0.771 | S | S | * | * | trans | 97.2 | 131.4 | 154.1 | -170.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 505 | S | 30.6 | Very low | 37 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | 76.2 | 131.2 | 154 | 60.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 506 | A | 37.9 | Very low | 37 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -107 | 166.3 | 136.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 507 | P | 52.6 | Low | 36.7 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | -150.8 | 175.9 | 101.2 | 39.9 | -23.5 | 0 | 0 | 0 | 115.5 | |||||
| 508 | P | 60.1 | Low | 36.5 | Very low | 106 Ų | 106 | 119 Ų | 119 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | trans | -113.6 | -178.8 | 177.1 | 42.3 | -34 | 0 | 0 | 0 | 115.3 | ||||
| 509 | N | 37.8 | Very low | 36.5 | Very low | 156 Ų | 156 | 119.6 Ų | 119.6 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | 87.1 | 135.9 | 159.3 | -61 | -13.4 | 0 | 0 | 0 | 121.5 | ||||
| 510 | G | 30.3 | Very low | 36.4 | Very low | 62 Ų | 62 | 120.7 Ų | 120.7 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | trans | -170.8 | 125.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 511 | Y | 35.2 | Very low | 36.3 | Very low | 224 Ų | 224 | 121.4 Ų | 121.4 | 88% | 0.878 | 76% | 0.761 | S | S | * | * | 82.3 | 133.1 | 63 | -73.8 | -51.8 | 0 | 0 | 0 | 113 | |||||
| 512 | S | 34.2 | Very low | 36.2 | Very low | 86 Ų | 86 | 123.8 Ų | 123.8 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | cis | -168.5 | 145.6 | -5.8 | -159.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 513 | T | 33 | Very low | 35.1 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | 56.7 | 160 | 140.4 | 47.3 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 514 | L | 30 | Very low | 35.1 | Very low | 155 Ų | 155 | 122.1 Ų | 122.1 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | 102.8 | 139.4 | 161.8 | -58.3 | -179.9 | 0 | 0 | 0 | 117.3 | ||||
| 515 | T | 32.8 | Very low | 35.3 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 71% | 0.712 | 76% | 0.756 | S | S | * | * | cis | -167.5 | 158.3 | -31.7 | 5.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 516 | V | 35.1 | Very low | 35.5 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | trans | 73.9 | 131.8 | 150.4 | 169.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 517 | G | 29.5 | Very low | 35.1 | Very low | 80 Ų | 80 | 128.1 Ų | 128.1 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | trans | 99.6 | 138.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 518 | G | 30.4 | Very low | 34.3 | Very low | 64 Ų | 64 | 130.8 Ų | 130.8 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | cis | 161.7 | 140.1 | -12.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 519 | L | 33.5 | Very low | 33.1 | Very low | 157 Ų | 157 | 131 Ų | 131 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | 66.3 | 157.5 | 171.2 | -52.5 | 118.6 | 0 | 0 | 0 | 115.6 | ||||
| 520 | E | 32.1 | Very low | 32.9 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | cis | -163.2 | 149.2 | -11.8 | -123.6 | 174.8 | 153.6 | 0 | 0 | 112.6 | ||||
| 521 | S | 33 | Very low | 33.1 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | 66.9 | 159.4 | 143.7 | 87.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 522 | N | 31.9 | Very low | 33 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | cis | -160.7 | 152.2 | -30.3 | -156.6 | 0.5 | 0 | 0 | 0 | 111.1 | ||||
| 523 | S | 32.6 | Very low | 32.8 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | 53.7 | 172.7 | 151.7 | 61.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 524 | D | 32.5 | Very low | 32.9 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | -166.3 | 169.9 | -61.8 | -147.9 | -31.6 | 0 | 0 | 0 | 109.3 | |||||
| 525 | I | 35.6 | Very low | 33 | Very low | 143 Ų | 143 | 136 Ų | 136 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 66.4 | 160.4 | 157.6 | -69.4 | 164 | 0 | 0 | 0 | 117.4 | ||||
| 526 | R | 34.8 | Very low | 33.2 | Very low | 227 Ų | 227 | 138.6 Ų | 138.6 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | 177.7 | 130.6 | -58.3 | -108.9 | -173.8 | -179.7 | -148.1 | 5.1 | 108.8 | |||||
| 527 | G | 29.9 | Very low | 33.1 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | 69.8 | 175.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 528 | E | 35.2 | Very low | 33.4 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | cis | -164.6 | 157.8 | -22.8 | -135.5 | -178.7 | 169.9 | 0 | 0 | 112.6 | ||||
| 529 | T | 36.2 | Very low | 33.7 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | trans | 69.5 | 129.4 | 157.7 | 62 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 530 | N | 33.4 | Very low | 33.8 | Very low | 141 Ų | 141 | 149 Ų | 149 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 76.7 | 114.1 | 130.2 | -68.2 | -23.4 | 0 | 0 | 0 | 126.6 | ||||
| 531 | V | 34.9 | Very low | 34.2 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | 59.3 | 122.6 | 123.9 | -176 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 532 | T | 32 | Very low | 34.4 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | -175.8 | 159.9 | 121.4 | -74.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 533 | C | 30.9 | Very low | 34.6 | Very low | 115 Ų | 115 | 151.4 Ų | 151.4 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -98 | 153.1 | -165.2 | -55.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 534 | R | 34.7 | Very low | 34.7 | Very low | 243 Ų | 243 | 151.1 Ų | 151.1 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -162 | 112.5 | 140.9 | -100.9 | 175.3 | -176 | -165.5 | 0.2 | 107 | ||||
| 535 | L | 31.2 | Very low | 35 | Very low | 149 Ų | 149 | 150.6 Ų | 150.6 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | 66.4 | 100.8 | 63.9 | -169.1 | 74.7 | 0 | 0 | 0 | 114.1 | |||||
| 536 | L | 37 | Very low | 35.1 | Very low | 172 Ų | 172 | 148 Ų | 148 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | -152.9 | 146.9 | 147.7 | -114.8 | 170.6 | 0 | 0 | 0 | 109 | ||||
| 537 | L | 34.1 | Very low | 35.3 | Very low | 137 Ų | 137 | 149.9 Ų | 149.9 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | -99.4 | 150.9 | -176.3 | -62.3 | 91.6 | 0 | 0 | 0 | 111.4 | ||||
| 538 | L | 36.3 | Very low | 35.6 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | -166.6 | 156.1 | 111.7 | -102.4 | 156.8 | 0 | 0 | 0 | 112.1 | |||||
| 539 | R | 35.7 | Very low | 35.6 | Very low | 206 Ų | 206 | 152.3 Ų | 152.3 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -154.1 | 118.1 | -166.6 | 173.8 | -171.8 | -179.5 | -171 | 0.6 | 109.7 | ||||
| 540 | N | 36.8 | Very low | 35.6 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -162.7 | 117.6 | 164 | -83.5 | -35.4 | 0 | 0 | 0 | 104.9 | ||||
| 541 | H | 40.4 | Very low | 35.7 | Very low | 151 Ų | 151 | 155.5 Ų | 155.5 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | cis | 76.8 | 122.5 | 32.8 | -128 | -69.4 | 0 | 0 | 0 | 114.1 | ||||
| 542 | C | 37.1 | Very low | 35.8 | Very low | 113 Ų | 113 | 157.6 Ų | 157.6 | 76% | 0.764 | 83% | 0.828 | S | S | * | * | trans | -86.6 | 154.8 | -174.8 | -42.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 543 | F | 35.2 | Very low | 36 | Very low | 198 Ų | 198 | 159 Ų | 159 | 87% | 0.868 | 83% | 0.827 | S | S | * | * | trans | -170.2 | 110 | 139.9 | -108.2 | -88.2 | 0 | 0 | 0 | 105 | ||||
| 544 | S | 35.3 | Very low | 36.4 | Very low | 100 Ų | 100 | 162.1 Ų | 162.1 | 70% | 0.699 | 83% | 0.83 | S | S | * | * | 69.9 | 128.3 | 78.9 | -175.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 545 | T | 37.6 | Very low | 36.5 | Very low | 124 Ų | 124 | 155.9 Ų | 155.9 | 76% | 0.761 | 82% | 0.824 | S | S | * | * | trans | 136.8 | 137.2 | 134.1 | -53.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 546 | A | 39.4 | Very low | 37 | Very low | 87 Ų | 87 | 156.5 Ų | 156.5 | 72% | 0.719 | 83% | 0.827 | S | S | * | * | trans | 60.2 | 118 | 163.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 547 | M | 38.6 | Very low | 37 | Very low | 267 Ų | 267 | 155.1 Ų | 155.1 | 100% | 1.315 | 82% | 0.821 | S | S | * | * | -108.1 | 0 | 86.6 | -81.4 | -170.7 | 165.3 | 0 | 0 | 109.1 |
Retrieved 547 of 547 residues in 203.2 ms
(Link to these results)