| 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 | 31.8 | Very low | 41.2 | Very low | 222 Ų | 222 | 137.8 Ų | 137.8 | 100% | 1.094 | 76% | 0.755 | S | S | * | * | 0 | 118 | 0 | -58.7 | -176.8 | 89.3 | 0 | 0 | 109.4 | |||||
| 2 | D | 32.1 | Very low | 41 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | cis | -151.8 | 141.8 | -20.8 | -83.5 | -48 | 0 | 0 | 0 | 110.6 | ||||
| 3 | T | 42.5 | Very low | 41.1 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | trans | -77.2 | 130.7 | 155.8 | 48.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 4 | P | 43.6 | Very low | 41.5 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | -156.6 | 123.5 | 87.2 | 35.8 | -15.2 | 0 | 0 | 0 | 116 | |||||
| 5 | R | 41.6 | Very low | 41.6 | Very low | 249 Ų | 249 | 136.1 Ų | 136.1 | 94% | 0.94 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -137.8 | -1.7 | 161.4 | -86.5 | -166.3 | 168.1 | 152.8 | -0.9 | 116.7 | ||
| 6 | V | 44.8 | Very low | 41.6 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -89.6 | -25.5 | -175.9 | -177.2 | 0 | 0 | 0 | 0 | 113.2 | L8 | V6-L8 PolarHBondContact O-N 3.29Š|
| 7 | L | 41.8 | Very low | 41.5 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 72% | 0.723 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -17.9 | -169.8 | -85.6 | 160.9 | 0 | 0 | 0 | 116 | ||
| 8 | L | 42.1 | Very low | 41.5 | Very low | 153 Ų | 153 | 145 Ų | 145 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -13.2 | -174.3 | -82.6 | 164.9 | 0 | 0 | 0 | 115 | V6 | V6-L8 PolarHBondContact O-N 3.29Š|
| 9 | S | 42.1 | Very low | 41.5 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -21.6 | 175.4 | -165.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 10 | A | 44.1 | Very low | 41.1 | Very low | 57 Ų | 57 | 146.6 Ų | 146.6 | 47% | 0.471 | 76% | 0.763 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | -25.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 11 | V | 46.8 | Very low | 40.9 | Very low | 96 Ų | 96 | 146 Ų | 146 | 58% | 0.582 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -79 | -28.3 | -172.1 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 12 | F | 38.8 | Very low | 41.1 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 77% | 0.768 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -82.6 | -8.4 | -176.4 | -96.7 | -79.5 | 0 | 0 | 0 | 115.6 | ||
| 13 | L | 42.6 | Very low | 41 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -99.7 | -6 | 179.8 | -74.4 | 171.2 | 0 | 0 | 0 | 114.3 | ||
| 14 | I | 46.8 | Very low | 40.5 | Very low | 116 Ų | 116 | 145 Ų | 145 | 60% | 0.595 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -92 | -20.8 | -176.7 | -64.5 | 175.4 | 0 | 0 | 0 | 112 | F16 | I14-F16 PolarHBondContact O-N 3.34Š|
| 15 | S | 43.1 | Very low | 39.8 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 16.1 | -172.1 | -50.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 16 | F | 41.1 | Very low | 39.1 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 82% | 0.82 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.4 | 12.3 | -175.5 | -99.6 | -72.6 | 0 | 0 | 0 | 115.4 | I14 | I14-F16 PolarHBondContact O-N 3.34Š|
| 17 | L | 40.6 | Very low | 38.2 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -129.6 | 15.2 | -178.7 | -74.2 | 174.1 | 0 | 0 | 0 | 114.7 | ||
| 18 | W | 40.2 | Very low | 37.6 | Very low | 222 Ų | 222 | 140.8 Ų | 140.8 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -92.9 | -11.7 | 179.8 | -132.9 | -54.8 | 0 | 0 | 0 | 114.5 | ||
| 19 | D | 41.9 | Very low | 36.7 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -115.5 | 59.5 | -175.3 | -79.9 | -63.3 | 0 | 0 | 0 | 113.9 | ||
| 20 | L | 33.6 | Very low | 35.9 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -141 | 127.8 | 153.1 | -87.5 | -179.1 | 0 | 0 | 0 | 110.3 | ||||
| 21 | P | 36.6 | Very low | 35.1 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -81.8 | 130.6 | -174.8 | 32 | -34.1 | 0 | 0 | 0 | 111.8 | ||||
| 22 | G | 37.2 | Very low | 34.1 | Very low | 70 Ų | 70 | 144.3 Ų | 144.3 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | -174.5 | 3.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 23 | F | 29.1 | Very low | 33.6 | Very low | 213 Ų | 213 | 141.7 Ų | 141.7 | 93% | 0.934 | 81% | 0.806 | S | S | * | * | trans | -149.9 | 105.5 | 176.1 | -102.5 | -79.5 | 0 | 0 | 0 | 113.5 | ||||
| 24 | Q | 32.8 | Very low | 32.8 | Very low | 186 Ų | 186 | 141.2 Ų | 141.2 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -145.4 | 156 | 150.4 | -80.4 | -152.6 | -18.3 | 0 | 0 | 109.3 | ||||
| 25 | Q | 29.1 | Very low | 31.8 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | trans | -66.9 | 136.2 | -173.3 | -65.2 | 108.9 | -52.9 | 0 | 0 | 112.9 | S27 | Q25-S27 VanDerWaalsContact C-N 3.26Å; Q25-S27 PolarHBondContact O-N 2.92Å | ||
| 26 | A | 26.5 | Very low | 31 | Very low | 96 Ų | 96 | 143.8 Ų | 143.8 | 79% | 0.793 | 83% | 0.829 | S | S | * | * | trans | -79.8 | 65.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | I28 | A26-I28 PolarHBondContact O-N 3.22Š| ||
| 27 | S | 26.2 | Very low | 30.2 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | -85.3 | 91 | 165 | 56.6 | 0 | 0 | 0 | 0 | 109.8 | Q25 S29 | Q25-S27 VanDerWaalsContact C-N 3.26Å; Q25-S27 PolarHBondContact O-N 2.92Å; S27-S29 PolarHBondContact O-N 3.3Å | ||
| 28 | I | 28.5 | Very low | 29.5 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 82% | 0.821 | 83% | 0.828 | S | S | * | * | trans | -87 | 99.6 | 178.2 | -57.7 | 178.2 | 0 | 0 | 0 | 109.7 | A26 | A26-I28 PolarHBondContact O-N 3.22Š| ||
| 29 | S | 23.2 | Very low | 28.8 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | trans | -104.8 | 122.9 | 160.2 | -68.7 | 0 | 0 | 0 | 0 | 108.8 | S27 | S27-S29 PolarHBondContact O-N 3.3Š| ||
| 30 | S | 25.1 | Very low | 28.3 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | -76.8 | 130.1 | 179.3 | 55.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 31 | S | 26.8 | Very low | 28.1 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 83% | 0.83 | S | S | * | * | trans | -144.8 | 144 | 155.7 | 62.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 32 | S | 26.7 | Very low | 27.6 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | trans | -121.6 | 130.1 | 179 | 56.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 33 | S | 27.5 | Very low | 27.1 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -150.4 | 144.1 | 164.4 | 52.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 34 | S | 25.7 | Very low | 27 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 90% | 0.895 | 82% | 0.82 | S | S | * | * | trans | -97.1 | 144.7 | -171.2 | -47 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 35 | A | 26.3 | Very low | 26.7 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | 170.4 | 149.1 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 36 | E | 26.1 | Very low | 26.7 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | cis | -173.6 | 169.7 | -32 | -121 | -161.4 | 106.8 | 0 | 0 | 105.2 | ||||
| 37 | L | 25.1 | Very low | 26.9 | Very low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | -7.1 | 135.6 | 175 | -80.7 | 59.1 | 0 | 0 | 0 | 121.1 | ||||
| 38 | G | 25.6 | Very low | 27 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -165.2 | 55.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 39 | S | 25.4 | Very low | 27 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | -83.4 | 126.5 | -175.5 | 140.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 40 | T | 31.4 | Very low | 27.2 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -144.8 | 154.3 | 156.2 | 29 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 41 | K | 29.6 | Very low | 27.4 | Very low | 205 Ų | 205 | 139.2 Ų | 139.2 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -60.8 | 162 | 174.2 | -59.7 | 146.2 | -179.4 | 170.1 | 0 | 111.3 | ||||
| 42 | G | 26 | Very low | 27.4 | Very low | 67 Ų | 67 | 139.7 Ų | 139.7 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | cis | 147.3 | -160.4 | 7.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 43 | M | 27.1 | Very low | 27.4 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 69.7 | 115 | -177.3 | -107.3 | 39.6 | 91.6 | 0 | 0 | 113.7 | ||||
| 44 | R | 26.5 | Very low | 27.4 | Very low | 225 Ų | 225 | 142.2 Ų | 142.2 | 85% | 0.849 | 78% | 0.775 | S | S | * | * | 72.9 | 139.4 | 74.7 | -78.4 | -170.4 | -174.4 | -177.1 | 0.8 | 113.7 | |||||
| 45 | S | 27.3 | Very low | 28 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | cis | -174.1 | 160.1 | -9.8 | -159.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 46 | R | 29.3 | Very low | 28.1 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | trans | 73.1 | 150.1 | 150.9 | -137.5 | 164 | 174.3 | 174.5 | 3.6 | 115.2 | E48 | R46-E48 IonicContact CZ-OE2 3.71Å; R46-E48 VanDerWaalsContact CZ-OE2 3.23Å; R46-E48 IonicContact NE-OE2 3.53Å; R46-E48 PolarHBondContact NE-OE2 3.34Å; R46-E48 IonicContact NH2-OE2 2.8Å; R46-E48 PolarHBondContact NH2-OE2 2.64Å | ||
| 47 | K | 29.6 | Very low | 28.3 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | cis | -153.2 | 136.8 | 27.1 | -166.1 | 155.6 | -170.6 | -170.2 | 0 | 115.2 | ||||
| 48 | E | 28.4 | Very low | 28.4 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 63% | 0.631 | 76% | 0.758 | S | S | * | * | trans | 14 | 139.1 | 139.3 | -48.1 | 157.4 | 64.3 | 0 | 0 | 118.9 | R46 | R46-E48 IonicContact CZ-OE2 3.71Å; R46-E48 VanDerWaalsContact CZ-OE2 3.23Å; R46-E48 IonicContact NE-OE2 3.53Å; R46-E48 PolarHBondContact NE-OE2 3.34Å; R46-E48 IonicContact NH2-OE2 2.8Å; R46-E48 PolarHBondContact NH2-OE2 2.64Å | ||
| 49 | G | 28.9 | Very low | 28.5 | Very low | 78 Ų | 78 | 146.8 Ų | 146.8 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | cis | -161.4 | -154.4 | 9.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 50 | K | 26.9 | Very low | 28.6 | Very low | 203 Ų | 203 | 145.4 Ų | 145.4 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | cis | -164 | 145.2 | 22.9 | 179.6 | 175.5 | -178.4 | -178.2 | 0 | 112.7 | ||||
| 51 | M | 28.9 | Very low | 28.4 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | trans | 9.5 | 133.6 | 145.6 | -129.3 | 56.9 | 112 | 0 | 0 | 117.4 | ||||
| 52 | Q | 27.9 | Very low | 28.3 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 62% | 0.621 | 75% | 0.746 | S | S | * | * | cis | -165.2 | -173.1 | 11.7 | -136.2 | 176.7 | 57 | 0 | 0 | 108.7 | ||||
| 53 | R | 26.8 | Very low | 28.2 | Very low | 214 Ų | 214 | 146.9 Ų | 146.9 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | cis | -160 | 177.1 | 4.5 | -156.7 | -176.8 | 177.3 | 111.1 | -11 | 109.7 | ||||
| 54 | A | 27.6 | Very low | 28.2 | Very low | 78 Ų | 78 | 143 Ų | 143 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | trans | -138.5 | 174.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 55 | P | 36.4 | Very low | 28.2 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | -123.8 | 149.3 | 147.1 | 19.9 | -0.4 | 0 | 0 | 0 | 113.5 | ||||
| 56 | R | 28.5 | Very low | 28.2 | Very low | 213 Ų | 213 | 146 Ų | 146 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -91.8 | -166.1 | 159.5 | -61.3 | -177.9 | 175.4 | 177.8 | -5 | 108.3 | ||||
| 57 | E | 30.3 | Very low | 28.6 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | cis | -156.7 | 172 | 15.4 | -137.4 | 123.8 | -155.9 | 0 | 0 | 106 | ||||
| 58 | S | 27.6 | Very low | 28.4 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | -177.5 | 150.1 | 50.1 | 41 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 59 | D | 28.2 | Very low | 28.3 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | 39.7 | 150 | 133.6 | -61.5 | -41.3 | 0 | 0 | 0 | 124.2 | ||||
| 60 | A | 27.6 | Very low | 28.1 | Very low | 92 Ų | 92 | 154.8 Ų | 154.8 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | cis | -169.8 | 159.5 | -15.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 61 | G | 26.8 | Very low | 28.4 | Very low | 78 Ų | 78 | 150.7 Ų | 150.7 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 96.3 | 158.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 62 | R | 27.4 | Very low | 28.6 | Very low | 208 Ų | 208 | 151.4 Ų | 151.4 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | cis | -163.9 | 139.1 | -11.9 | -174.6 | 170.4 | 178.1 | 163.3 | 3.4 | 110.6 | ||||
| 63 | E | 25.1 | Very low | 28.7 | Very low | 156 Ų | 156 | 152.8 Ų | 152.8 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | trans | 44.4 | 126 | 159.5 | -69.2 | 157.2 | -160.5 | 0 | 0 | 121.8 | ||||
| 64 | G | 25.6 | Very low | 28.8 | Very low | 73 Ų | 73 | 151.3 Ų | 151.3 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | 130.6 | 118 | 129.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 65 | Q | 26.4 | Very low | 29 | Very low | 208 Ų | 208 | 152.8 Ų | 152.8 | 97% | 0.972 | 79% | 0.794 | S | S | * | * | trans | 77.6 | 157.3 | 146.4 | -60.2 | -174 | -7.7 | 0 | 0 | 121.5 | ||||
| 66 | E | 28.2 | Very low | 28.7 | Very low | 181 Ų | 181 | 156 Ų | 156 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -116.2 | -174.1 | -169.5 | -134.2 | -160.1 | 100 | 0 | 0 | 110.8 | ||||
| 67 | P | 37.6 | Very low | 28.6 | Very low | 105 Ų | 105 | 150.4 Ų | 150.4 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | -102.9 | 150.1 | -126.8 | 35.5 | -20.7 | 0 | 0 | 0 | 115 | |||||
| 68 | Q | 26.1 | Very low | 28.7 | Very low | 200 Ų | 200 | 152.9 Ų | 152.9 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | trans | -118.8 | 163.3 | 168.4 | -73 | -168.5 | -14.5 | 0 | 0 | 112.5 | ||||
| 69 | R | 24.6 | Very low | 28.9 | Very low | 231 Ų | 231 | 157.1 Ų | 157.1 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -112.8 | 166.3 | -162.6 | -62.1 | 173.2 | 167.8 | 172.9 | -5.7 | 112.5 | ||||
| 70 | R | 25.2 | Very low | 29.1 | Very low | 213 Ų | 213 | 155.9 Ų | 155.9 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 76 | 160.9 | 160.1 | -76.7 | -175 | -172.2 | -173.8 | 3.3 | 115.5 | ||||
| 71 | P | 34 | Very low | 29.3 | Very low | 118 Ų | 118 | 162.8 Ų | 162.8 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | cis | -109.5 | -179.3 | 11.2 | 40.2 | -30.2 | 0 | 0 | 0 | 116.5 | ||||
| 72 | Q | 31.9 | Very low | 29.5 | Very low | 166 Ų | 166 | 163.8 Ų | 163.8 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -95 | 152 | 166.7 | -61 | 159.1 | -100.4 | 0 | 0 | 108.2 | ||||
| 73 | D | 30.6 | Very low | 29.8 | Very low | 162 Ų | 162 | 163 Ų | 163 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | trans | -142.5 | 165.7 | 161.3 | -101.3 | -51.7 | 0 | 0 | 0 | 110.3 | ||||
| 74 | E | 29.6 | Very low | 30.3 | Very low | 183 Ų | 183 | 161.5 Ų | 161.5 | 86% | 0.855 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 171.8 | -149.6 | -101.8 | -152.8 | 98.3 | 0 | 0 | 117.2 | ||
| 75 | P | 31.1 | Very low | 30.6 | Very low | 108 Ų | 108 | 163.4 Ų | 163.4 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 150.6 | -153.7 | 32.1 | -37 | 0 | 0 | 0 | 115.8 | ||
| 76 | Q | 30 | Very low | 31.2 | Very low | 195 Ų | 195 | 160 Ų | 160 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 137 | 169.8 | -73.5 | -175.7 | -32.8 | 0 | 0 | 111.8 | ||
| 77 | A | 27.6 | Very low | 31.7 | Very low | 96 Ų | 96 | 155.2 Ų | 155.2 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66 | 143.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q79 | A77-Q79 PolarHBondContact O-N 3.5Š|
| 78 | Q | 31.8 | Very low | 32.1 | Very low | 191 Ų | 191 | 157.8 Ų | 157.8 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 116.9 | 174.7 | -64.5 | 175.7 | -2.2 | 0 | 0 | 110.2 | ||
| 79 | Q | 31.1 | Very low | 33.3 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 132.1 | 166.1 | -72.4 | -179 | -23.9 | 0 | 0 | 109.3 | A77 | A77-Q79 PolarHBondContact O-N 3.5Š|
| 80 | P | 32.8 | Very low | 34.9 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 140 | 175 | -22.1 | 33.1 | 0 | 0 | 0 | 111 | A82 | P80-A82 PolarHBondContact O-N 3.18Š|
| 81 | R | 31 | Very low | 37.2 | Very low | 237 Ų | 237 | 142.3 Ų | 142.3 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 131.8 | 169.7 | -71.4 | -178.8 | 175.9 | 179 | -1.5 | 109.3 | Q83 | R81-Q83 PolarHBondContact O-N 3.48Š|
| 82 | A | 31.5 | Very low | 39.7 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 124.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | P80 | P80-A82 PolarHBondContact O-N 3.18Š|
| 83 | Q | 34 | Very low | 42.4 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 126.6 | 176.5 | -68.4 | 178.1 | -13.5 | 0 | 0 | 108.5 | R81 | R81-Q83 PolarHBondContact O-N 3.48Š|
| 84 | E | 35.3 | Very low | 45.3 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 58% | 0.584 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 144.1 | 176.2 | -53.7 | -153.8 | 115.2 | 0 | 0 | 110 | R91 | E84-R91 VanDerWaalsContact CD-NH1 3.27Å; E84-R91 VanDerWaalsContact CD-NH2 3.26Å; E84-R91 IonicContact OE1-CZ 3.13Å; E84-R91 IonicContact OE1-NH1 2.86Å; E84-R91 PolarHBondContact OE1-NH1 2.84Å; E84-R91 IonicContact OE1-NH2 2.73Å; E84-R91 PolarHBondContact OE1-NH2 3.05Å; E84-R91 IonicContact OE2-CZ 3.22Å; E84-R91 VanDerWaalsContact OE2-CZ 3.22Å; E84-R91 IonicContact OE2-NE 3.96Å; E84-R91 IonicContact OE2-NH1 2.66Å; E84-R91 PolarHBondContact OE2-NH1 2.91Å; E84-R91 IonicContact OE2-NH2 3.3Å; E84-R91 PolarHBondContact OE2-NH2 2.7Å |
| 85 | P | 32.3 | Very low | 48.3 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 132 | -176.6 | 24.8 | -33.8 | 0 | 0 | 0 | 111.1 | G87 | P85-G87 PolarHBondContact O-N 3.3Š|
| 86 | P | 38.3 | Very low | 51.3 | Low | 137 Ų | 137 | 119.4 Ų | 119.4 | 89% | 0.89 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | 114.2 | -179.1 | 28.7 | -33.7 | 0 | 0 | 0 | 110 | ||
| 87 | G | 38.4 | Very low | 54.3 | Low | 80 Ų | 80 | 112.3 Ų | 112.3 | 83% | 0.825 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.9 | -30.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | P85 | P85-G87 PolarHBondContact O-N 3.3Š|
| 88 | R | 46.4 | Very low | 57.5 | Low | 159 Ų | 159 | 107.7 Ų | 107.7 | 60% | 0.6 | 58% | 0.584 | S | S | * | * | trans | -75.8 | 138.7 | 170.2 | -71 | -169.9 | -176.8 | -159.3 | -3.8 | 110.6 | D370 | R88-D370 VanDerWaalsContact CZ-CG 3.46Å; R88-D370 IonicContact CZ-OD1 3.05Å; R88-D370 IonicContact CZ-OD2 3.22Å; R88-D370 VanDerWaalsContact CZ-OD2 3.27Å; R88-D370 IonicContact NE-OD2 2.98Å; R88-D370 IonicContact NH1-OD1 3.27Å; R88-D370 PolarHBondContact NH1-OD1 3.31Å; R88-D370 IonicContact NH1-OD2 3.35Å; R88-D370 IonicContact NH2-OD1 2.7Å; R88-D370 PolarHBondContact NH2-OD1 3.35Å; R88-D370 IonicContact NH2-OD2 3.1Å; R88-D370 PolarHBondContact NH2-OD2 3.19Å | ||
| 89 | G | 51.4 | Low | 60.5 | Low | 55 Ų | 55 | 100.3 Ų | 100.3 | 57% | 0.567 | 55% | 0.551 | S | S | * | * | trans | -62.8 | 175.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R91 | G89-R91 PolarHBondContact O-N 3.3Š| ||
| 90 | P | 58.8 | Low | 63.4 | Low | 116 Ų | 116 | 93.4 Ų | 93.4 | 75% | 0.753 | 52% | 0.523 | S | S | * | . | trans | -58.3 | 115.5 | -179.7 | 25.6 | -34.3 | 0 | 0 | 0 | 110.3 | V92 | P90-V92 PolarHBondContact O-N 2.73Å; P90-V92 VanDerWaalsContact O-N 3.08Å | ||
| 91 | R | 72.9 | Confident | 66.2 | Low | 149 Ų | 149 | 87.9 Ų | 87.9 | 56% | 0.562 | 49% | 0.487 | S | S | * | . | trans | -57.8 | 116.9 | -179.3 | -73.3 | -172.6 | 179.2 | 150.6 | 6.6 | 110.5 | E84 G89 V93 | E84-R91 VanDerWaalsContact CD-NH1 3.27Å; E84-R91 VanDerWaalsContact CD-NH2 3.26Å; E84-R91 IonicContact OE1-CZ 3.13Å; E84-R91 IonicContact OE1-NH1 2.86Å; E84-R91 PolarHBondContact OE1-NH1 2.84Å; E84-R91 IonicContact OE1-NH2 2.73Å; E84-R91 PolarHBondContact OE1-NH2 3.05Å; E84-R91 IonicContact OE2-CZ 3.22Å; E84-R91 VanDerWaalsContact OE2-CZ 3.22Å; E84-R91 IonicContact OE2-NE 3.96Å; E84-R91 IonicContact OE2-NH1 2.66Å; E84-R91 PolarHBondContact OE2-NH1 2.91Å; E84-R91 IonicContact OE2-NH2 3.3Å; E84-R91 PolarHBondContact OE2-NH2 2.7Å; G89-R91 PolarHBondContact O-N 3.3Å; R91-V93 PolarHBondContact O-N 3.35Å | ||
| 92 | V | 85.8 | Confident | 69.2 | Low | 40 Ų | 40 | 78 Ų | 78 | 24% | 0.242 | 45% | 0.45 | C | S | . | . | trans | -63.5 | 121.4 | 170.6 | -177.3 | 0 | 0 | 0 | 0 | 108 | P90 P94 I433 N437 V439 | P90-V92 PolarHBondContact O-N 2.73Å; P90-V92 VanDerWaalsContact O-N 3.08Å; V92-P94 WeakPolarHBondContact O-CD 3.33Å; V92-I433 HydrophobicContact CB-CD1 3.96Å; V92-I433 HydrophobicContact CB-CG1 4.28Å; V92-I433 HydrophobicContact CB-CG2 4.27Å; V92-I433 HydrophobicContact CG1-CG1 4.41Å; V92-I433 HydrophobicContact CG2-CG2 3.88Å; V92-N437 HydrophobicContact CG2-CB 3.71Å; V92-V439 HydrophobicContact CG1-CG2 3.79Å | ||
| 93 | V | 89.1 | Confident | 72.2 | Confident | 86 Ų | 86 | 78.9 Ų | 78.9 | 52% | 0.521 | 43% | 0.432 | S | S | . | . | trans | -98.2 | 111.5 | 175.4 | -178.2 | 0 | 0 | 0 | 0 | 107.4 | R91 H95 | R91-V93 PolarHBondContact O-N 3.35Å; V93-H95 PolarHBondContact O-N 2.79Å | ||
| 94 | P | 92.2 | Very high | 74.8 | Confident | 24 Ų | 24 | 72.3 Ų | 72.3 | 16% | 0.156 | 41% | 0.405 | C | S | . | . | trans | -63.2 | 135.4 | -175.6 | -24.6 | 35.8 | 0 | 0 | 0 | 112.3 | V92 L99 Q273 I373 V439 | V92-P94 WeakPolarHBondContact O-CD 3.33Å; P94-L99 HydrophobicContact CB-CD2 4.16Å; P94-L99 HydrophobicContact CB-CG 4.21Å; P94-Q273 PolarHBondContact O-NE2 3.34Å; P94-I373 HydrophobicContact CB-CD1 4.17Å; P94-I373 HydrophobicContact CG-CD1 3.53Å; P94-I373 HydrophobicContact CG-CG1 4.02Å; P94-I373 HydrophobicContact CG-CG2 4.06Å; P94-V439 HydrophobicContact CB-CG1 4.45Å; P94-V439 HydrophobicContact CB-CG2 4.14Å; P94-V439 HydrophobicContact CG-CG2 4.32Å | ||
| 95 | H | 93.1 | Very high | 77.3 | Confident | 14 Ų | 14 | 67.3 Ų | 67.3 | 7% | 0.065 | 38% | 0.381 | C | S | . | . | trans | -65.8 | 137.1 | 179.9 | -158 | -91.7 | 0 | 0 | 0 | 110.6 | V93 Y97 M98 L99 W212 Q273 L277 | V93-H95 PolarHBondContact O-N 2.79Å; H95-Y97 PolarHBondContact O-N 2.87Å; H95-M98 HydrophobicContact CB-CG 4.49Å; H95-M98 PolarHBondContact O-N 2.98Å; H95-L99 PolarHBondContact O-N 2.97Å; H95-L99 VanDerWaalsContact O-N 3.14Å; H95-W212 AromaticContact CE1-CH2 3.39Å; H95-W212 WeakPolarHBondContact CE1-CH2 3.41Å; H95-W212 AromaticContact CE1-CZ2 3.33Å; H95-W212 WeakPolarHBondContact CE1-CZ2 3.4Å; H95-W212 AromaticContact NE2-CH2 3.21Å; H95-W212 WeakPolarHBondContact NE2-CH2 2.9Å; H95-W212 AromaticContact NE2-CZ2 3.46Å; H95-W212 WeakPolarHBondContact NE2-CZ2 3.46Å; H95-Q273 VanDerWaalsContact CA-OE1 3.3Å; H95-Q273 PolarHBondContact NE2-O 3.36Å; H95-L277 HydrophobicContact CB-CD1 4.27Å; H95-L277 HydrophobicContact CB-CD2 3.99Å | ||
| 96 | E | 92.7 | Very high | 80 | Confident | 92 Ų | 92 | 62.3 Ų | 62.3 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.7 | -30.9 | -176.7 | -169.6 | 60.3 | -147.6 | 0 | 0 | 112.1 | L99 S100 R103 | E96-L99 PolarHBondContact O-N 3.29Å; E96-S100 WeakPolarHBondContact O-CB 3.32Å; E96-S100 PolarHBondContact O-N 3.09Å; E96-R103 IonicContact OE1-CZ 3.68Å; E96-R103 IonicContact OE1-NH1 3.12Å; E96-R103 PolarHBondContact OE1-NH1 3.07Å; E96-R103 IonicContact OE1-NH2 3.89Å; E96-R103 PolarHBondContact OE1-NH2 2.76Å; E96-R103 IonicContact OE2-NH2 3.65Å |
| 97 | Y | 93.1 | Very high | 82.3 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 18% | 0.176 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 171.9 | -177 | -115.4 | 0 | 0 | 0 | 113.4 | H95 S100 I101 R167 L277 V279 | H95-Y97 PolarHBondContact O-N 2.87Å; Y97-S100 WeakPolarHBondContact O-CB 3.13Å; Y97-S100 PolarHBondContact O-N 3.12Å; Y97-S100 VanDerWaalsContact O-N 3.14Å; Y97-S100 PolarHBondContact O-OG 3.17Å; Y97-I101 HydrophobicContact CD1-CD1 4.12Å; Y97-I101 HydrophobicContact CE1-CD1 3.58Å; Y97-I101 HydrophobicContact CE1-CG1 4.41Å; Y97-I101 HydrophobicContact CE2-CD1 4.48Å; Y97-I101 PolarHBondContact O-N 2.82Å; Y97-R167 VanDerWaalsContact CE2-CZ 3.48Å; Y97-R167 VanDerWaalsContact CZ-NH1 3.35Å; Y97-R167 PolarHBondContact OH-NH1 2.81Å; Y97-L277 HydrophobicContact CD1-CD2 4.25Å; Y97-V279 HydrophobicContact CD1-CG2 3.97Å; Y97-V279 HydrophobicContact CE1-CB 4.38Å; Y97-V279 HydrophobicContact CE1-CG1 4.21Å; Y97-V279 HydrophobicContact CE1-CG2 3.88Å |
| 98 | M | 94.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.7 | -36 | 176.7 | -67.6 | -55.7 | -71.5 | 0 | 0 | 112.1 | H95 S100 I101 Y102 I127 S129 V279 L431 V439 | H95-M98 HydrophobicContact CB-CG 4.49Å; H95-M98 PolarHBondContact O-N 2.98Å; M98-S100 VanDerWaalsContact C-N 3.29Å; M98-S100 PolarHBondContact O-N 2.99Å; M98-I101 PolarHBondContact O-N 3.02Å; M98-I101 HydrophobicContact SD-CD1 3.94Å; M98-Y102 PolarHBondContact O-N 2.98Å; M98-I127 HydrophobicContact CE-CG2 4.16Å; M98-I127 WeakPolarHBondContact CE-O 3.49Å; M98-S129 WeakPolarHBondContact CG-OG 3.41Å; M98-V279 HydrophobicContact SD-CG1 4.25Å; M98-L431 HydrophobicContact CB-CD1 4.41Å; M98-V439 HydrophobicContact CB-CG1 4.07Å; M98-V439 HydrophobicContact CG-CG1 4.36Å |
| 99 | L | 94.6 | Very high | 86.2 | Confident | 35 Ų | 35 | 51.4 Ų | 51.4 | 18% | 0.183 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -38.8 | 169 | -63.2 | 172.5 | 0 | 0 | 0 | 110.9 | P94 H95 E96 Y102 R103 I373 L431 | P94-L99 HydrophobicContact CB-CD2 4.16Å; P94-L99 HydrophobicContact CB-CG 4.21Å; H95-L99 PolarHBondContact O-N 2.97Å; H95-L99 VanDerWaalsContact O-N 3.14Å; E96-L99 PolarHBondContact O-N 3.29Å; L99-Y102 PolarHBondContact O-N 3.01Å; L99-R103 WeakPolarHBondContact O-CB 3.16Å; L99-R103 WeakPolarHBondContact O-CG 3.14Å; L99-R103 PolarHBondContact O-N 2.96Å; L99-I373 HydrophobicContact CD2-CG2 4.36Å; L99-L431 HydrophobicContact CD2-CD2 3.7Å |
| 100 | S | 93.4 | Very high | 87.6 | Confident | 41 Ų | 41 | 56.7 Ų | 56.7 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 177.2 | 83 | 0 | 0 | 0 | 0 | 113 | E96 Y97 M98 T104 | E96-S100 WeakPolarHBondContact O-CB 3.32Å; E96-S100 PolarHBondContact O-N 3.09Å; Y97-S100 WeakPolarHBondContact O-CB 3.13Å; Y97-S100 PolarHBondContact O-N 3.12Å; Y97-S100 VanDerWaalsContact O-N 3.14Å; Y97-S100 PolarHBondContact O-OG 3.17Å; M98-S100 VanDerWaalsContact C-N 3.29Å; M98-S100 PolarHBondContact O-N 2.99Å; S100-T104 VanDerWaalsContact O-CB 3.31Å; S100-T104 WeakPolarHBondContact O-CB 3.18Å; S100-T104 PolarHBondContact O-N 3.37Å; S100-T104 PolarHBondContact O-OG1 3.02Å |
| 101 | I | 91.9 | Very high | 88.8 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.041 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -56.4 | 171.7 | -72.5 | 172.7 | 0 | 0 | 0 | 109.6 | Y97 M98 R103 T104 Y105 I127 Y441 | Y97-I101 HydrophobicContact CD1-CD1 4.12Å; Y97-I101 HydrophobicContact CE1-CD1 3.58Å; Y97-I101 HydrophobicContact CE1-CG1 4.41Å; Y97-I101 HydrophobicContact CE2-CD1 4.48Å; Y97-I101 PolarHBondContact O-N 2.82Å; M98-I101 PolarHBondContact O-N 3.02Å; M98-I101 HydrophobicContact SD-CD1 3.94Å; I101-R103 VanDerWaalsContact C-N 3.34Å; I101-R103 PolarHBondContact O-N 3.48Å; I101-T104 PolarHBondContact O-N 3.16Å; I101-T104 VanDerWaalsContact O-N 3.13Å; I101-Y105 HydrophobicContact CG2-CD2 4.02Å; I101-Y105 HydrophobicContact CG2-CE2 4.1Å; I101-Y105 WeakPolarHBondContact O-CD2 3.34Å; I101-Y105 PolarHBondContact O-N 3.32Å; I101-I127 HydrophobicContact CD1-CG2 4.27Å; I101-I127 HydrophobicContact CG2-CD1 3.91Å; I101-Y441 HydrophobicContact CG2-CD1 4.23Å; I101-Y441 HydrophobicContact CG2-CD2 4.12Å; I101-Y441 HydrophobicContact CG2-CG 3.93Å |
| 102 | Y | 93.5 | Very high | 88.8 | Confident | 30 Ų | 30 | 53.1 Ų | 53.1 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.6 | -46.6 | 179.8 | 170.1 | -94.5 | 0 | 0 | 0 | 112.6 | M98 L99 T104 S106 A374 P375 L431 Y441 | M98-Y102 PolarHBondContact O-N 2.98Å; L99-Y102 PolarHBondContact O-N 3.01Å; Y102-T104 PolarHBondContact O-N 2.77Å; Y102-S106 VanDerWaalsContact O-CB 3.24Å; Y102-S106 WeakPolarHBondContact O-CB 3.45Å; Y102-S106 PolarHBondContact O-N 3.09Å; Y102-S106 PolarHBondContact O-OG 3.38Å; Y102-A374 HydrophobicContact CD1-CB 4.02Å; Y102-A374 HydrophobicContact CE1-CB 3.48Å; Y102-A374 VanDerWaalsContact CE1-CB 3.48Å; Y102-A374 HydrophobicContact CE2-CB 4.06Å; Y102-P375 WeakPolarHBondContact OH-CD 3.3Å; Y102-L431 HydrophobicContact CD2-CB 3.73Å; Y102-L431 HydrophobicContact CE2-CB 4.44Å; Y102-L431 HydrophobicContact CG-CB 3.94Å; Y102-L431 HydrophobicContact CG-CD2 4.36Å; Y102-Y441 HydrophobicContact CD2-CD2 4.34Å |
| 103 | R | 93.3 | Very high | 88.3 | Confident | 117 Ų | 117 | 55.4 Ų | 55.4 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 176.9 | -70.7 | 169.1 | -160.6 | 151.9 | 5.5 | 111.6 | E96 L99 I101 S106 I107 | E96-R103 IonicContact OE1-CZ 3.68Å; E96-R103 IonicContact OE1-NH1 3.12Å; E96-R103 PolarHBondContact OE1-NH1 3.07Å; E96-R103 IonicContact OE1-NH2 3.89Å; E96-R103 PolarHBondContact OE1-NH2 2.76Å; E96-R103 IonicContact OE2-NH2 3.65Å; L99-R103 WeakPolarHBondContact O-CB 3.16Å; L99-R103 WeakPolarHBondContact O-CG 3.14Å; L99-R103 PolarHBondContact O-N 2.96Å; I101-R103 VanDerWaalsContact C-N 3.34Å; I101-R103 PolarHBondContact O-N 3.48Å; R103-S106 PolarHBondContact O-OG 3.21Å; R103-I107 WeakPolarHBondContact O-CB 3.19Å; R103-I107 VanDerWaalsContact O-CD1 3.3Å; R103-I107 WeakPolarHBondContact O-CD1 3.31Å; R103-I107 WeakPolarHBondContact O-CG1 3.29Å; R103-I107 PolarHBondContact O-N 3Å |
| 104 | T | 89.6 | Confident | 87 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.5 | -47.3 | -176.9 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | S100 I101 Y102 I107 A108 F118 | S100-T104 VanDerWaalsContact O-CB 3.31Å; S100-T104 WeakPolarHBondContact O-CB 3.18Å; S100-T104 PolarHBondContact O-N 3.37Å; S100-T104 PolarHBondContact O-OG1 3.02Å; I101-T104 PolarHBondContact O-N 3.16Å; I101-T104 VanDerWaalsContact O-N 3.13Å; Y102-T104 PolarHBondContact O-N 2.77Å; T104-I107 PolarHBondContact O-N 2.81Å; T104-A108 PolarHBondContact O-N 2.66Å; T104-F118 HydrophobicContact CG2-CD1 3.6Å; T104-F118 HydrophobicContact CG2-CD2 4.13Å; T104-F118 HydrophobicContact CG2-CE1 3.52Å; T104-F118 HydrophobicContact CG2-CE2 4.09Å; T104-F118 HydrophobicContact CG2-CG 3.92Å; T104-F118 HydrophobicContact CG2-CZ 3.78Å |
| 105 | Y | 87.4 | Confident | 85.4 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.2 | -40.9 | -173.4 | -75.5 | -123.9 | 0 | 0 | 0 | 111.4 | I101 I107 A108 E109 A115 F118 S121 Y441 | I101-Y105 HydrophobicContact CG2-CD2 4.02Å; I101-Y105 HydrophobicContact CG2-CE2 4.1Å; I101-Y105 WeakPolarHBondContact O-CD2 3.34Å; I101-Y105 PolarHBondContact O-N 3.32Å; Y105-I107 VanDerWaalsContact C-N 3.26Å; Y105-I107 PolarHBondContact O-N 2.93Å; Y105-A108 PolarHBondContact O-N 2.82Å; Y105-A108 VanDerWaalsContact O-N 3.15Å; Y105-E109 VanDerWaalsContact O-CB 3.31Å; Y105-E109 WeakPolarHBondContact O-CB 3.45Å; Y105-E109 PolarHBondContact O-N 3.05Å; Y105-A115 HydrophobicContact CD1-CB 3.8Å; Y105-A115 HydrophobicContact CE1-CB 4.17Å; Y105-A115 HydrophobicContact CG-CB 4.38Å; Y105-F118 HydrophobicContact CE2-CB 4.35Å; Y105-S121 PolarHBondContact OH-OG 3.37Å; Y105-Y441 WeakPolarHBondContact CB-OH 3.45Å; Y105-Y441 HydrophobicContact CD1-CE1 4.22Å; Y105-Y441 AromaticContact CD1-CZ 3.93Å; Y105-Y441 HydrophobicContact CG-CE2 4.46Å |
| 106 | S | 88.5 | Confident | 83.6 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 6% | 0.056 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.8 | -23.5 | 175.6 | 64.7 | 0 | 0 | 0 | 0 | 113.6 | Y102 R103 K110 | Y102-S106 VanDerWaalsContact O-CB 3.24Å; Y102-S106 WeakPolarHBondContact O-CB 3.45Å; Y102-S106 PolarHBondContact O-N 3.09Å; Y102-S106 PolarHBondContact O-OG 3.38Å; R103-S106 PolarHBondContact O-OG 3.21Å; S106-K110 WeakPolarHBondContact O-CD 3.45Å; S106-K110 WeakPolarHBondContact O-CG 3.42Å; S106-K110 PolarHBondContact O-N 3.47Å |
| 107 | I | 87.6 | Confident | 81.5 | Confident | 100 Ų | 100 | 64.1 Ų | 64.1 | 51% | 0.513 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -75.1 | -45 | 168.6 | -72.5 | 168 | 0 | 0 | 0 | 110.7 | R103 T104 Y105 E109 K110 L111 | R103-I107 WeakPolarHBondContact O-CB 3.19Å; R103-I107 VanDerWaalsContact O-CD1 3.3Å; R103-I107 WeakPolarHBondContact O-CD1 3.31Å; R103-I107 WeakPolarHBondContact O-CG1 3.29Å; R103-I107 PolarHBondContact O-N 3Å; T104-I107 PolarHBondContact O-N 2.81Å; Y105-I107 VanDerWaalsContact C-N 3.26Å; Y105-I107 PolarHBondContact O-N 2.93Å; I107-E109 PolarHBondContact O-N 3.08Å; I107-K110 PolarHBondContact O-N 2.82Å; I107-L111 HydrophobicContact CG2-CD1 3.86Å; I107-L111 HydrophobicContact CG2-CG 4.5Å; I107-L111 WeakPolarHBondContact O-CG 3.22Å; I107-L111 PolarHBondContact O-N 3.4Å |
| 108 | A | 83.9 | Confident | 79.8 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T104 Y105 L111 G112 I113 A115 F118 | T104-A108 PolarHBondContact O-N 2.66Å; Y105-A108 PolarHBondContact O-N 2.82Å; Y105-A108 VanDerWaalsContact O-N 3.15Å; A108-L111 CarbonylContact O-C 3.49Å; A108-L111 PolarHBondContact O-N 2.68Å; A108-L111 VanDerWaalsContact O-N 3.13Å; A108-G112 PolarHBondContact O-N 2.67Å; A108-G112 VanDerWaalsContact O-N 3.13Å; A108-I113 PolarHBondContact O-N 2.69Å; A108-A115 HydrophobicContact CB-CB 4.25Å; A108-F118 HydrophobicContact CB-CE2 3.73Å |
| 109 | E | 81.8 | Confident | 77.7 | Confident | 43 Ų | 43 | 75.1 Ų | 75.1 | 20% | 0.201 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -53.7 | -51.4 | 172.8 | -178.8 | -179.8 | 90 | 0 | 0 | 111.7 | Y105 I107 L111 G112 I428 S429 Q443 | Y105-E109 VanDerWaalsContact O-CB 3.31Å; Y105-E109 WeakPolarHBondContact O-CB 3.45Å; Y105-E109 PolarHBondContact O-N 3.05Å; I107-E109 PolarHBondContact O-N 3.08Å; E109-L111 PolarHBondContact O-N 2.88Å; E109-G112 PolarHBondContact O-N 3.28Å; E109-I428 WeakPolarHBondContact OE1-CA 3.45Å; E109-S429 PolarHBondContact OE1-N 3.36Å; E109-S429 PolarHBondContact OE1-OG 3.27Å; E109-S429 PolarHBondContact OE2-N 2.85Å; E109-S429 PolarHBondContact OE2-OG 2.78Å; E109-Q443 PolarHBondContact OE2-NE2 3.21Å |
| 110 | K | 81.6 | Confident | 75.6 | Confident | 165 Ų | 165 | 76.1 Ų | 76.1 | 72% | 0.717 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.7 | -21.4 | 177.8 | -73.2 | 171.2 | -173.7 | 175.7 | 0 | 114.3 | S106 I107 | S106-K110 WeakPolarHBondContact O-CD 3.45Å; S106-K110 WeakPolarHBondContact O-CG 3.42Å; S106-K110 PolarHBondContact O-N 3.47Å; I107-K110 PolarHBondContact O-N 2.82Å |
| 111 | L | 84.3 | Confident | 73.9 | Confident | 120 Ų | 120 | 74.6 Ų | 74.6 | 63% | 0.628 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -2 | 175.1 | -66.8 | 173.3 | 0 | 0 | 0 | 113.1 | I107 A108 E109 I113 | I107-L111 HydrophobicContact CG2-CD1 3.86Å; I107-L111 HydrophobicContact CG2-CG 4.5Å; I107-L111 WeakPolarHBondContact O-CG 3.22Å; I107-L111 PolarHBondContact O-N 3.4Å; A108-L111 CarbonylContact O-C 3.49Å; A108-L111 PolarHBondContact O-N 2.68Å; A108-L111 VanDerWaalsContact O-N 3.13Å; E109-L111 PolarHBondContact O-N 2.88Å; L111-I113 HydrophobicContact CB-CD1 3.81Å; L111-I113 HydrophobicContact CB-CG1 3.88Å; L111-I113 HydrophobicContact CD1-CD1 4.04Å; L111-I113 PolarHBondContact O-N 2.87Å |
| 112 | G | 72.6 | Confident | 72.4 | Confident | 71 Ų | 71 | 80 Ų | 80 | 73% | 0.732 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 19.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A108 E109 | A108-G112 PolarHBondContact O-N 2.67Å; A108-G112 VanDerWaalsContact O-N 3.13Å; E109-G112 PolarHBondContact O-N 3.28Å |
| 113 | I | 75.8 | Confident | 71.4 | Confident | 87 Ų | 87 | 81.6 Ų | 81.6 | 45% | 0.446 | 43% | 0.431 | S | S | . | . | trans | -90.6 | 125.2 | -179.9 | -60.7 | 173.3 | 0 | 0 | 0 | 108.4 | A108 L111 A115 | A108-I113 PolarHBondContact O-N 2.69Å; L111-I113 HydrophobicContact CB-CD1 3.81Å; L111-I113 HydrophobicContact CB-CG1 3.88Å; L111-I113 HydrophobicContact CD1-CD1 4.04Å; L111-I113 PolarHBondContact O-N 2.87Å; I113-A115 PolarHBondContact O-N 2.77Å | ||
| 114 | N | 62 | Low | 71 | Confident | 130 Ų | 130 | 76.7 Ų | 76.7 | 70% | 0.695 | 42% | 0.415 | S | S | * | . | trans | -57.4 | 108 | 175 | -75.5 | -18.1 | 0 | 0 | 0 | 110.6 | S116 F117 | N114-S116 PolarHBondContact O-N 3.46Å; N114-F117 PolarHBondContact O-N 3.42Å | ||
| 115 | A | 57.5 | Low | 70.9 | Confident | 19 Ų | 19 | 75.9 Ų | 75.9 | 16% | 0.157 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -61.3 | -13.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y105 A108 I113 F117 F118 | Y105-A115 HydrophobicContact CD1-CB 3.8Å; Y105-A115 HydrophobicContact CE1-CB 4.17Å; Y105-A115 HydrophobicContact CG-CB 4.38Å; A108-A115 HydrophobicContact CB-CB 4.25Å; I113-A115 PolarHBondContact O-N 2.77Å; A115-F117 PolarHBondContact O-N 3.45Å; A115-F118 WeakPolarHBondContact O-CD2 3.42Å; A115-F118 PolarHBondContact O-N 2.82Å |
| 116 | S | 55.6 | Low | 71.1 | Confident | 85 Ų | 85 | 75.1 Ų | 75.1 | 59% | 0.594 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -57.6 | -10.7 | 167.5 | 60.4 | 0 | 0 | 0 | 0 | 114.7 | N114 F118 | N114-S116 PolarHBondContact O-N 3.46Å; S116-F118 VanDerWaalsContact C-N 3.32Å |
| 117 | F | 49.6 | Very low | 71.3 | Confident | 165 Ų | 165 | 74.7 Ų | 74.7 | 72% | 0.724 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -72.6 | -21.9 | 171.5 | -167.2 | -100.2 | 0 | 0 | 0 | 113.2 | N114 A115 Q119 | N114-F117 PolarHBondContact O-N 3.42Å; A115-F117 PolarHBondContact O-N 3.45Å; F117-Q119 PolarHBondContact O-N 3.38Å |
| 118 | F | 56.7 | Low | 71.6 | Confident | 82 Ų | 82 | 70.4 Ų | 70.4 | 36% | 0.36 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -80.3 | 105.3 | 177.6 | -64.2 | -79.2 | 0 | 0 | 0 | 110.1 | T104 Y105 A108 A115 S116 S120 | T104-F118 HydrophobicContact CG2-CD1 3.6Å; T104-F118 HydrophobicContact CG2-CD2 4.13Å; T104-F118 HydrophobicContact CG2-CE1 3.52Å; T104-F118 HydrophobicContact CG2-CE2 4.09Å; T104-F118 HydrophobicContact CG2-CG 3.92Å; T104-F118 HydrophobicContact CG2-CZ 3.78Å; Y105-F118 HydrophobicContact CE2-CB 4.35Å; A108-F118 HydrophobicContact CB-CE2 3.73Å; A115-F118 WeakPolarHBondContact O-CD2 3.42Å; A115-F118 PolarHBondContact O-N 2.82Å; S116-F118 VanDerWaalsContact C-N 3.32Å; F118-S120 PolarHBondContact O-N 3.47Å |
| 119 | Q | 50.7 | Low | 72.2 | Confident | 195 Ų | 195 | 70.3 Ų | 70.3 | 91% | 0.911 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 87.4 | -162.4 | -63.4 | 177.9 | -67.5 | 0 | 0 | 115 | F117 | F117-Q119 PolarHBondContact O-N 3.38Š|
| 120 | S | 51.3 | Low | 72.8 | Confident | 56 Ų | 56 | 68.3 Ų | 68.3 | 39% | 0.392 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -163.1 | -30.5 | 136 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | F118 K122 E165 | F118-S120 PolarHBondContact O-N 3.47Å; S120-K122 PolarHBondContact O-N 3.13Å; S120-E165 VanDerWaalsContact CB-OE1 3.28Å; S120-E165 WeakPolarHBondContact CB-OE1 3.39Å; S120-E165 PolarHBondContact OG-OE1 2.99Å |
| 121 | S | 56.7 | Low | 73.3 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | trans | -75.8 | 99.4 | -178.5 | 62.1 | 0 | 0 | 0 | 0 | 113.3 | Y105 S123 | Y105-S121 PolarHBondContact OH-OG 3.37Å; S121-S123 VanDerWaalsContact C-N 3.31Å; S121-S123 PolarHBondContact O-N 3.08Å | ||
| 122 | K | 60.9 | Low | 73.6 | Confident | 121 Ų | 121 | 58.3 Ų | 58.3 | 53% | 0.526 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -74.9 | 72 | -177.2 | -34.6 | 156.3 | -165.6 | 147 | 0 | 112 | S120 V162 | S120-K122 PolarHBondContact O-N 3.13Å; K122-V162 HydrophobicContact CB-CG1 3.56Å; K122-V162 HydrophobicContact CD-CG1 4.29Å; K122-V162 HydrophobicContact CG-CG1 4.1Å; K122-V162 PolarHBondContact NZ-O 2.83Å; K122-V162 WeakPolarHBondContact O-CG1 3.33Å |
| 123 | S | 72.1 | Confident | 74.2 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 46% | 0.455 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 65.5 | 29.5 | -174.1 | 74.7 | 0 | 0 | 0 | 0 | 115.9 | S121 R283 | S121-S123 VanDerWaalsContact C-N 3.31Å; S121-S123 PolarHBondContact O-N 3.08Å; S123-R283 PolarHBondContact OG-NH1 2.71Å |
| 124 | A | 85.6 | Confident | 74 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 12% | 0.116 | 30% | 0.303 | C | S | . | . | trans | -71.8 | 138.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V162 F281 T282 | A124-V162 HydrophobicContact CB-CB 4.22Å; A124-V162 HydrophobicContact CB-CG1 4.26Å; A124-V162 HydrophobicContact CB-CG2 4.17Å; A124-F281 HydrophobicContact CB-CB 3.85Å; A124-T282 WeakPolarHBondContact CA-O 3.28Å; A124-T282 WeakPolarHBondContact CB-O 3.43Å | ||
| 125 | N | 87.3 | Confident | 74.4 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 19% | 0.193 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -111.1 | -8.1 | 174.4 | 65.8 | -1.1 | 0 | 0 | 0 | 112.9 | T282 S284 K442 Q443 | N125-T282 PolarHBondContact N-O 3.44Å; N125-T282 VanDerWaalsContact N-O 3.15Å; N125-T282 PolarHBondContact OD1-O 3.21Å; N125-S284 PolarHBondContact ND2-O 3.34Å; N125-S284 PolarHBondContact OD1-N 3.24Å; N125-K442 WeakPolarHBondContact O-CA 3.19Å; N125-Q443 PolarHBondContact O-N 3.06Å |
| 126 | T | 90.6 | Very high | 74.7 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 135.2 | 178.2 | -51.4 | 0 | 0 | 0 | 0 | 108.2 | T282 V440 Y441 K442 | T126-T282 WeakPolarHBondContact CB-OG1 3.31Å; T126-T282 PolarHBondContact N-O 3.42Å; T126-T282 VanDerWaalsContact N-O 3.14Å; T126-T282 PolarHBondContact O-N 2.88Å; T126-T282 VanDerWaalsContact O-O 3.06Å; T126-V440 HydrophobicContact CG2-CG1 3.94Å; T126-Y441 CarbonylContact C-O 3.6Å; T126-Y441 WeakPolarHBondContact CA-O 3.4Å; T126-K442 HydrophobicContact CG2-CD 3.97Å; T126-K442 HydrophobicContact CG2-CG 4.37Å; T126-K442 WeakPolarHBondContact OG1-CD 3.35Å; T126-K442 VanDerWaalsContact OG1-CE 3.3Å; T126-K442 WeakPolarHBondContact OG1-CE 3.37Å |
| 127 | I | 93.3 | Very high | 74.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 113 | -178.8 | -53.1 | 173.6 | 0 | 0 | 0 | 108.1 | M98 I101 V279 V280 F281 V440 Y441 | M98-I127 HydrophobicContact CE-CG2 4.16Å; M98-I127 WeakPolarHBondContact CE-O 3.49Å; I101-I127 HydrophobicContact CD1-CG2 4.27Å; I101-I127 HydrophobicContact CG2-CD1 3.91Å; I127-V279 HydrophobicContact CG2-CG1 3.44Å; I127-V279 VanDerWaalsContact CG2-CG1 3.44Å; I127-V280 WeakPolarHBondContact CA-O 3.42Å; I127-F281 HydrophobicContact CB-CD1 4.46Å; I127-F281 HydrophobicContact CD1-CD1 3.71Å; I127-F281 HydrophobicContact CD1-CE1 3.81Å; I127-F281 HydrophobicContact CG1-CD1 3.72Å; I127-F281 HydrophobicContact CG1-CE1 4.23Å; I127-F281 HydrophobicContact CG2-CD1 3.97Å; I127-F281 HydrophobicContact CG2-CE1 4.01Å; I127-F281 HydrophobicContact CG2-CG 4.45Å; I127-V440 WeakPolarHBondContact O-CA 3.39Å; I127-Y441 HydrophobicContact CB-CD1 4.11Å; I127-Y441 HydrophobicContact CD1-CD1 3.81Å; I127-Y441 HydrophobicContact CD1-CE1 4.21Å; I127-Y441 HydrophobicContact CG1-CD1 3.91Å; I127-Y441 PolarHBondContact N-O 3Å; I127-Y441 PolarHBondContact O-N 2.95Å |
| 128 | T | 94.2 | Very high | 75.1 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 6% | 0.055 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.6 | -175.9 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | F130 V280 N438 V440 | T128-F130 HydrophobicContact CG2-CD2 4.34Å; T128-F130 HydrophobicContact CG2-CE1 3.84Å; T128-F130 HydrophobicContact CG2-CE2 3.62Å; T128-F130 HydrophobicContact CG2-CZ 3.32Å; T128-V280 PolarHBondContact N-O 2.87Å; T128-V280 PolarHBondContact O-N 3.26Å; T128-N438 HydrophobicContact CG2-CB 3.95Å; T128-V440 HydrophobicContact CG2-CG2 3.97Å |
| 129 | S | 95.1 | Very high | 75 | Confident | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.6 | 178.6 | 77.5 | 0 | 0 | 0 | 0 | 112.8 | M98 L278 N438 V439 | M98-S129 WeakPolarHBondContact CG-OG 3.41Å; S129-L278 CarbonylContact C-O 3.54Å; S129-L278 WeakPolarHBondContact CA-O 3.45Å; S129-N438 WeakPolarHBondContact O-CB 3.11Å; S129-V439 PolarHBondContact N-O 3.47Å; S129-V439 PolarHBondContact OG-O 3.34Å |
| 130 | F | 94.3 | Very high | 75.2 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.5 | 177.8 | -53.9 | -86 | 0 | 0 | 0 | 109.8 | T128 F150 D151 V152 M154 L155 L278 V280 N438 | T128-F130 HydrophobicContact CG2-CD2 4.34Å; T128-F130 HydrophobicContact CG2-CE1 3.84Å; T128-F130 HydrophobicContact CG2-CE2 3.62Å; T128-F130 HydrophobicContact CG2-CZ 3.32Å; F130-F150 HydrophobicContact CB-CB 4.24Å; F130-F150 HydrophobicContact CB-CD1 4.04Å; F130-F150 WeakPolarHBondContact O-CD1 3.46Å; F130-F150 WeakPolarHBondContact O-CE1 3.39Å; F130-D151 WeakPolarHBondContact CD1-O 3.49Å; F130-D151 WeakPolarHBondContact CE1-O 3.49Å; F130-V152 HydrophobicContact CD1-CG1 4.31Å; F130-V152 HydrophobicContact CD2-CG1 4.06Å; F130-V152 HydrophobicContact CE1-CG1 4.45Å; F130-V152 HydrophobicContact CE2-CG1 4.21Å; F130-V152 HydrophobicContact CG-CG1 4.12Å; F130-V152 HydrophobicContact CZ-CG1 4.4Å; F130-M154 HydrophobicContact CE1-CB 4.48Å; F130-L155 HydrophobicContact CE2-CD1 4.29Å; F130-L155 HydrophobicContact CE2-CD2 3.91Å; F130-L155 HydrophobicContact CE2-CG 4.09Å; F130-L155 HydrophobicContact CZ-CD1 4.3Å; F130-L155 HydrophobicContact CZ-CD2 3.65Å; F130-L155 HydrophobicContact CZ-CG 3.67Å; F130-L278 HydrophobicContact CB-CB 4.28Å; F130-L278 HydrophobicContact CB-CD2 4.37Å; F130-L278 HydrophobicContact CD2-CD2 4.08Å; F130-L278 HydrophobicContact CD2-CG 4.33Å; F130-L278 PolarHBondContact N-O 2.78Å; F130-L278 PolarHBondContact O-N 2.87Å; F130-V280 HydrophobicContact CD2-CG2 3.88Å; F130-V280 HydrophobicContact CE2-CB 4.08Å; F130-V280 HydrophobicContact CE2-CG2 3.65Å; F130-N438 HydrophobicContact CD1-CB 4.37Å; F130-N438 WeakPolarHBondContact CD1-OD1 3.03Å; F130-N438 HydrophobicContact CE1-CB 4.42Å |
| 131 | V | 92.4 | Very high | 75.6 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 37% | 0.37 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.5 | 178 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | R133 R275 L277 | V131-R133 PolarHBondContact O-N 2.74Å; V131-R275 HydrophobicContact CG1-CB 3.82Å; V131-R275 HydrophobicContact CG1-CG 4.41Å; V131-L277 HydrophobicContact CG2-CD1 3.91Å |
| 132 | D | 91.6 | Very high | 76.2 | Confident | 14 Ų | 14 | 61.6 Ų | 61.6 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 128.9 | 177.5 | 171.2 | 39.8 | 0 | 0 | 0 | 112.3 | G134 Y148 L149 F150 R267 A276 | D132-G134 PolarHBondContact OD1-N 2.97Å; D132-Y148 HydrophobicContact CB-CD1 4.31Å; D132-Y148 WeakPolarHBondContact OD1-CA 3.26Å; D132-Y148 VanDerWaalsContact OD2-CD1 3.3Å; D132-Y148 WeakPolarHBondContact OD2-CD1 3.08Å; D132-L149 PolarHBondContact OD1-N 2.91Å; D132-F150 HydrophobicContact CB-CD1 4.42Å; D132-F150 HydrophobicContact CB-CE1 3.7Å; D132-F150 HydrophobicContact CB-CZ 3.93Å; D132-R267 IonicContact OD1-NH1 2.67Å; D132-R267 PolarHBondContact OD1-NH1 2.81Å; D132-R267 IonicContact OD2-CZ 3.96Å; D132-R267 IonicContact OD2-NE 3.55Å; D132-R267 IonicContact OD2-NH1 3.28Å; D132-R267 PolarHBondContact OD2-NH1 3.35Å; D132-R267 IonicContact OD2-NH2 2.74Å; D132-A276 HydrophobicContact CB-CB 3.78Å; D132-A276 WeakPolarHBondContact CB-O 3.3Å; D132-A276 PolarHBondContact N-O 3.33Å |
| 133 | R | 84.3 | Confident | 77 | Confident | 142 Ų | 142 | 56.6 Ų | 56.6 | 54% | 0.536 | 31% | 0.312 | S | S | . | . | trans | -100 | -4.3 | 177.4 | -61.3 | -171.4 | -177 | 163.3 | 8 | 113.4 | V131 L149 D151 | V131-R133 PolarHBondContact O-N 2.74Å; R133-L149 PolarHBondContact N-O 3.05Å; R133-D151 IonicContact CZ-OD2 2.72Å; R133-D151 VanDerWaalsContact NH1-CB 3.32Å; R133-D151 IonicContact NH1-OD2 2.67Å; R133-D151 PolarHBondContact NH1-OD2 2.77Å; R133-D151 IonicContact NH2-OD2 2.9Å; R133-D151 PolarHBondContact NH2-OD2 2.03Å | ||
| 134 | G | 72.5 | Confident | 77.3 | Confident | 11 Ų | 11 | 58.1 Ų | 58.1 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | trans | -70.3 | 151.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D132 R267 | D132-G134 PolarHBondContact OD1-N 2.97Å; G134-R267 VanDerWaalsContact CA-NH1 3.3Å; G134-R267 PolarHBondContact O-NH1 3.04Å | ||
| 135 | L | 69.2 | Low | 77.1 | Confident | 162 Ų | 162 | 63.5 Ų | 63.5 | 85% | 0.848 | 33% | 0.325 | S | S | * | . | trans | -107.7 | 148.5 | 173.4 | -61.3 | 174.9 | 0 | 0 | 0 | 110 | D137 | L135-D137 PolarHBondContact O-N 3.18Š| ||
| 136 | D | 64 | Low | 77.1 | Confident | 25 Ų | 25 | 62 Ų | 62 | 13% | 0.134 | 32% | 0.317 | C | S | . | . | trans | -67 | 121.3 | 166.7 | -80.6 | -15 | 0 | 0 | 0 | 108.3 | L138 Q146 R267 | D136-L138 PolarHBondContact O-N 3.35Å; D136-Q146 PolarHBondContact OD1-NE2 2.98Å; D136-R267 WeakPolarHBondContact OD1-CD 3.46Å; D136-R267 VanDerWaalsContact OD1-CG 3.31Å; D136-R267 WeakPolarHBondContact OD1-CG 3.26Å; D136-R267 IonicContact OD1-NE 3.92Å; D136-R267 PolarHBondContact OD1-NE 3.38Å; D136-R267 WeakPolarHBondContact OD2-CB 3.37Å; D136-R267 PolarHBondContact OD2-N 3.07Å | ||
| 137 | D | 58 | Low | 77 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 54% | 0.54 | 34% | 0.339 | S | S | . | . | trans | -62.2 | 124.3 | 171.3 | -171.7 | -19.8 | 0 | 0 | 0 | 109.4 | L135 S139 | L135-D137 PolarHBondContact O-N 3.18Å; D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 VanDerWaalsContact CG-OG 3.25Å; D137-S139 WeakPolarHBondContact OD1-CB 2.98Å; D137-S139 PolarHBondContact OD1-N 2.8Å; D137-S139 PolarHBondContact OD1-OG 2.78Å; D137-S139 PolarHBondContact OD2-OG 3.37Å | ||
| 138 | L | 56.3 | Low | 76.9 | Confident | 139 Ų | 139 | 67.5 Ų | 67.5 | 73% | 0.728 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -82.8 | -11.8 | -175.1 | -63.3 | 176.3 | 0 | 0 | 0 | 113.2 | D136 | D136-L138 PolarHBondContact O-N 3.35Š|
| 139 | S | 55.4 | Low | 76.8 | Confident | 76 Ų | 76 | 70.4 Ų | 70.4 | 53% | 0.531 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -82.5 | -27.4 | -168.9 | 63.8 | 0 | 0 | 0 | 0 | 115 | D137 | D137-S139 VanDerWaalsContact C-N 3.34Å; D137-S139 VanDerWaalsContact CG-OG 3.25Å; D137-S139 WeakPolarHBondContact OD1-CB 2.98Å; D137-S139 PolarHBondContact OD1-N 2.8Å; D137-S139 PolarHBondContact OD1-OG 2.78Å; D137-S139 PolarHBondContact OD2-OG 3.37Å |
| 140 | H | 54.9 | Low | 76.7 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 62% | 0.62 | 35% | 0.354 | S | S | * | . | trans | -120.3 | 93.6 | -168.6 | -70 | -57.1 | 0 | 0 | 0 | 113.7 | P142 | H140-P142 CarbonylContact O-C 3.33Š| ||
| 141 | T | 59.2 | Low | 76.6 | Confident | 119 Ų | 119 | 71.9 Ų | 71.9 | 73% | 0.73 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -82.2 | 129.7 | 155.1 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 142 | P | 69.2 | Low | 76.5 | Confident | 58 Ų | 58 | 69 Ų | 69 | 38% | 0.377 | 35% | 0.345 | S | S | . | . | S | Bend | cis | -85.9 | 151.6 | -3.1 | 34.2 | -35.3 | 0 | 0 | 0 | 113.6 | H140 R144 D259 | H140-P142 CarbonylContact O-C 3.33Å; P142-R144 HydrophobicContact CG-CG 4.33Å; P142-R144 PolarHBondContact O-N 2.68Å; P142-D259 WeakPolarHBondContact CA-OD2 3.08Å; P142-D259 HydrophobicContact CB-CB 4.03Å; P142-D259 VanDerWaalsContact CB-OD2 3.32Å; P142-D259 WeakPolarHBondContact CB-OD2 3.46Å |
| 143 | L | 76.4 | Confident | 76.4 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | trans | -76.4 | 88.5 | 177.1 | -168.7 | 71.7 | 0 | 0 | 0 | 111 | R145 Q146 D259 L260 R261 | L143-R145 WeakPolarHBondContact CD1-O 3.3Å; L143-Q146 HydrophobicContact CD2-CB 4.04Å; L143-Q146 HydrophobicContact CD2-CG 3.89Å; L143-Q146 HydrophobicContact CG-CB 4.49Å; L143-D259 WeakPolarHBondContact CB-OD1 3.14Å; L143-D259 VanDerWaalsContact N-CG 3.32Å; L143-D259 PolarHBondContact N-OD2 2.77Å; L143-L260 WeakPolarHBondContact O-CG 3.46Å; L143-L260 PolarHBondContact O-N 3.11Å; L143-L260 VanDerWaalsContact O-N 3.12Å; L143-R261 HydrophobicContact CB-CG 3.96Å; L143-R261 HydrophobicContact CD2-CG 3.64Å; L143-R261 HydrophobicContact CG-CG 4.45Å | ||
| 144 | R | 78.4 | Confident | 76.6 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | trans | -75.2 | -27 | -179.6 | -65.2 | -72.4 | 170.5 | -179.3 | -21.3 | 114.4 | P142 P257 | P142-R144 HydrophobicContact CG-CG 4.33Å; P142-R144 PolarHBondContact O-N 2.68Å; R144-P257 VanDerWaalsContact NH1-CD 3.31Å; R144-P257 PolarHBondContact NH1-O 2.82Å; R144-P257 PolarHBondContact NH2-O 3.32Å; R144-P257 VanDerWaalsContact NH2-O 3.16Å | ||
| 145 | R | 82.9 | Confident | 77.3 | Confident | 127 Ų | 127 | 68.3 Ų | 68.3 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 137.2 | -172.7 | -61.1 | -179.7 | 178.1 | -167.1 | 5.4 | 107.6 | L143 E232 L233 R234 | L143-R145 WeakPolarHBondContact CD1-O 3.3Å; R145-E232 HydrophobicContact CB-CG 4.08Å; R145-E232 WeakPolarHBondContact CD-OE1 3.48Å; R145-E232 IonicContact NH1-OE1 2.9Å; R145-L233 WeakPolarHBondContact CA-O 3.4Å; R145-R234 HydrophobicContact CG-CG 4.28Å |
| 146 | Q | 87.1 | Confident | 78 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 2% | 0.023 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 124.9 | -178.2 | -168.2 | 177.6 | 19.2 | 0 | 0 | 110.2 | D136 L143 Y148 E232 L233 L260 F265 | D136-Q146 PolarHBondContact OD1-NE2 2.98Å; L143-Q146 HydrophobicContact CD2-CB 4.04Å; L143-Q146 HydrophobicContact CD2-CG 3.89Å; L143-Q146 HydrophobicContact CG-CB 4.49Å; Q146-Y148 HydrophobicContact CB-CE2 4.39Å; Q146-Y148 HydrophobicContact CG-CE2 4.18Å; Q146-Y148 PolarHBondContact OE1-OH 2.82Å; Q146-Y148 VanDerWaalsContact OE1-OH 3.13Å; Q146-E232 WeakPolarHBondContact O-CA 3.48Å; Q146-L233 PolarHBondContact N-O 3.28Å; Q146-L233 VanDerWaalsContact N-O 3.08Å; Q146-L233 PolarHBondContact O-N 3.18Å; Q146-L260 HydrophobicContact CB-CD1 3.64Å; Q146-F265 PolarHBondContact NE2-O 3.37Å; Q146-F265 PolarHBondContact OE1-O 2.92Å |
| 147 | K | 88.9 | Confident | 78.7 | Confident | 113 Ų | 113 | 66.1 Ų | 66.1 | 49% | 0.491 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 120.1 | -171.4 | -66.8 | -179.9 | 179.1 | 178 | 0 | 111.5 | L231 E232 R267 | K147-L231 CarbonylContact C-O 3.54Å; K147-L231 WeakPolarHBondContact CA-O 3.36Å; K147-E232 WeakPolarHBondContact CE-OE2 3.4Å; K147-E232 HydrophobicContact CG-CB 4.37Å; K147-E232 HydrophobicContact CG-CG 4.12Å; K147-E232 IonicContact NZ-OE2 3.7Å; K147-R267 VanDerWaalsContact C-NH2 3.31Å; K147-R267 PolarHBondContact O-NH1 3.25Å; K147-R267 PolarHBondContact O-NH2 3.37Å |
| 148 | Y | 91.3 | Very high | 79.8 | Confident | 5 Ų | 5 | 69.3 Ų | 69.3 | 2% | 0.02 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.4 | 175 | -62.9 | -90.8 | 0 | 0 | 0 | 109 | D132 Q146 L168 C230 L231 L233 A276 | D132-Y148 HydrophobicContact CB-CD1 4.31Å; D132-Y148 WeakPolarHBondContact OD1-CA 3.26Å; D132-Y148 VanDerWaalsContact OD2-CD1 3.3Å; D132-Y148 WeakPolarHBondContact OD2-CD1 3.08Å; Q146-Y148 HydrophobicContact CB-CE2 4.39Å; Q146-Y148 HydrophobicContact CG-CE2 4.18Å; Q146-Y148 PolarHBondContact OE1-OH 2.82Å; Q146-Y148 VanDerWaalsContact OE1-OH 3.13Å; Y148-L168 HydrophobicContact CD1-CD2 3.93Å; Y148-L168 HydrophobicContact CD2-CD2 4.49Å; Y148-L168 HydrophobicContact CE1-CD2 3.59Å; Y148-L168 HydrophobicContact CE2-CD1 4.05Å; Y148-L168 HydrophobicContact CE2-CD2 4.18Å; Y148-L168 HydrophobicContact CG-CD2 4.37Å; Y148-C230 WeakPolarHBondContact O-CA 3.44Å; Y148-L231 PolarHBondContact N-O 3.21Å; Y148-L231 PolarHBondContact O-N 3.07Å; Y148-L233 HydrophobicContact CD2-CB 4.47Å; Y148-L233 HydrophobicContact CE2-CB 3.89Å; Y148-L233 HydrophobicContact CE2-CD2 4.2Å; Y148-A276 HydrophobicContact CD1-CB 3.39Å; Y148-A276 HydrophobicContact CE1-CB 3.5Å |
| 149 | L | 91.6 | Very high | 81.1 | Confident | 69 Ų | 69 | 63.7 Ų | 63.7 | 36% | 0.361 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 113.7 | -170.8 | -72.6 | 171.2 | 0 | 0 | 0 | 110.2 | D132 R133 C230 | D132-L149 PolarHBondContact OD1-N 2.91Å; R133-L149 PolarHBondContact N-O 3.05Å; L149-C230 HydrophobicContact CD2-CB 3.72Å; L149-C230 VanDerWaalsContact CD2-SG 3.51Å |
| 150 | F | 92.9 | Very high | 82.7 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.5 | 179.6 | -55.1 | -83.3 | 0 | 0 | 0 | 110.3 | F130 D132 V152 L166 Q228 L229 L231 A276 L278 | F130-F150 HydrophobicContact CB-CB 4.24Å; F130-F150 HydrophobicContact CB-CD1 4.04Å; F130-F150 WeakPolarHBondContact O-CD1 3.46Å; F130-F150 WeakPolarHBondContact O-CE1 3.39Å; D132-F150 HydrophobicContact CB-CD1 4.42Å; D132-F150 HydrophobicContact CB-CE1 3.7Å; D132-F150 HydrophobicContact CB-CZ 3.93Å; F150-V152 HydrophobicContact CB-CG1 4.17Å; F150-L166 HydrophobicContact CE1-CD1 4.47Å; F150-L166 HydrophobicContact CE2-CD1 3.69Å; F150-L166 HydrophobicContact CZ-CD1 3.42Å; F150-L166 VanDerWaalsContact CZ-CD1 3.42Å; F150-Q228 CarbonylContact O-C 3.55Å; F150-Q228 VanDerWaalsContact O-CA 3.27Å; F150-Q228 WeakPolarHBondContact O-CA 3.43Å; F150-L229 HydrophobicContact CB-CB 4.39Å; F150-L229 PolarHBondContact N-O 2.85Å; F150-L229 PolarHBondContact O-N 2.88Å; F150-L231 HydrophobicContact CE2-CD1 4.36Å; F150-A276 HydrophobicContact CZ-CB 4.32Å; F150-L278 HydrophobicContact CB-CB 4.5Å; F150-L278 HydrophobicContact CB-CD2 3.68Å; F150-L278 HydrophobicContact CD1-CB 3.49Å; F150-L278 VanDerWaalsContact CD1-CB 3.49Å; F150-L278 HydrophobicContact CD1-CD2 4.26Å; F150-L278 HydrophobicContact CD2-CB 4.04Å; F150-L278 HydrophobicContact CD2-CD2 4.04Å; F150-L278 HydrophobicContact CE1-CB 3.57Å; F150-L278 HydrophobicContact CE2-CB 4.12Å; F150-L278 HydrophobicContact CG-CB 3.74Å; F150-L278 HydrophobicContact CG-CD2 3.72Å; F150-L278 HydrophobicContact CG-CG 4.38Å; F150-L278 HydrophobicContact CZ-CB 3.9Å |
| 151 | D | 91.2 | Very high | 84.3 | Confident | 33 Ų | 33 | 59.5 Ų | 59.5 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 104.2 | 172.9 | -174.7 | 13.4 | 0 | 0 | 0 | 108.5 | F130 R133 S153 | F130-D151 WeakPolarHBondContact CD1-O 3.49Å; F130-D151 WeakPolarHBondContact CE1-O 3.49Å; R133-D151 IonicContact CZ-OD2 2.72Å; R133-D151 VanDerWaalsContact NH1-CB 3.32Å; R133-D151 IonicContact NH1-OD2 2.67Å; R133-D151 PolarHBondContact NH1-OD2 2.77Å; R133-D151 IonicContact NH2-OD2 2.9Å; R133-D151 PolarHBondContact NH2-OD2 2.03Å; D151-S153 PolarHBondContact OD1-OG 2.92Å |
| 152 | V | 91.9 | Very high | 85.7 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | trans | -106 | 14.4 | -171.4 | -67.2 | 0 | 0 | 0 | 0 | 112 | F130 F150 M154 L155 L221 W226 K227 L229 L278 | F130-V152 HydrophobicContact CD1-CG1 4.31Å; F130-V152 HydrophobicContact CD2-CG1 4.06Å; F130-V152 HydrophobicContact CE1-CG1 4.45Å; F130-V152 HydrophobicContact CE2-CG1 4.21Å; F130-V152 HydrophobicContact CG-CG1 4.12Å; F130-V152 HydrophobicContact CZ-CG1 4.4Å; F150-V152 HydrophobicContact CB-CG1 4.17Å; V152-M154 PolarHBondContact O-N 2.94Å; V152-M154 VanDerWaalsContact O-N 3.1Å; V152-L155 HydrophobicContact CB-CD1 4.05Å; V152-L155 HydrophobicContact CB-CG 4.46Å; V152-L155 WeakPolarHBondContact O-CB 3.37Å; V152-L155 PolarHBondContact O-N 3.01Å; V152-L221 HydrophobicContact CG2-CD2 4.3Å; V152-W226 HydrophobicContact CG2-CB 3.98Å; V152-K227 PolarHBondContact N-O 2.94Å; V152-L229 HydrophobicContact CG1-CB 4.38Å; V152-L229 HydrophobicContact CG2-CB 4.48Å; V152-L278 HydrophobicContact CG1-CD2 3.69Å | ||
| 153 | S | 89.2 | Confident | 86.8 | Confident | 66 Ų | 66 | 52 Ų | 52 | 46% | 0.462 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14 | -176.9 | 66.7 | 0 | 0 | 0 | 0 | 115 | D151 L155 K227 | D151-S153 PolarHBondContact OD1-OG 2.92Å; S153-L155 VanDerWaalsContact C-N 3.34Å; S153-K227 PolarHBondContact N-O 3.35Å |
| 154 | M | 87.2 | Confident | 87.6 | Confident | 77 Ų | 77 | 51.5 Ų | 51.5 | 38% | 0.379 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -11 | 174.6 | -65 | -58.4 | -64.1 | 0 | 0 | 113.4 | F130 V152 D434 A435 | F130-M154 HydrophobicContact CE1-CB 4.48Å; V152-M154 PolarHBondContact O-N 2.94Å; V152-M154 VanDerWaalsContact O-N 3.1Å; M154-D434 WeakPolarHBondContact CB-OD2 3.39Å; M154-D434 HydrophobicContact CE-CB 4.17Å; M154-D434 WeakPolarHBondContact CG-OD2 3.26Å; M154-A435 HydrophobicContact CE-CB 4.12Å |
| 155 | L | 87.8 | Confident | 88.3 | Confident | 9 Ų | 9 | 48.1 Ų | 48.1 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -72.8 | 126.9 | 173.6 | -63.2 | 178.5 | 0 | 0 | 0 | 110.2 | F130 V152 S153 W226 V280 T282 | F130-L155 HydrophobicContact CE2-CD1 4.29Å; F130-L155 HydrophobicContact CE2-CD2 3.91Å; F130-L155 HydrophobicContact CE2-CG 4.09Å; F130-L155 HydrophobicContact CZ-CD1 4.3Å; F130-L155 HydrophobicContact CZ-CD2 3.65Å; F130-L155 HydrophobicContact CZ-CG 3.67Å; V152-L155 HydrophobicContact CB-CD1 4.05Å; V152-L155 HydrophobicContact CB-CG 4.46Å; V152-L155 WeakPolarHBondContact O-CB 3.37Å; V152-L155 PolarHBondContact O-N 3.01Å; S153-L155 VanDerWaalsContact C-N 3.34Å; L155-W226 HydrophobicContact CB-CD2 4.15Å; L155-W226 HydrophobicContact CB-CE3 3.33Å; L155-W226 HydrophobicContact CB-CZ3 3.87Å; L155-W226 HydrophobicContact CD1-CD2 4.15Å; L155-W226 HydrophobicContact CD1-CE3 4.05Å; L155-W226 HydrophobicContact CD1-CG 4.41Å; L155-W226 HydrophobicContact CG-CE3 4.34Å; L155-V280 HydrophobicContact CD1-CB 4.47Å; L155-V280 HydrophobicContact CD1-CG1 3.95Å; L155-V280 HydrophobicContact CD1-CG2 4.35Å; L155-V280 HydrophobicContact CD2-CB 4.37Å; L155-V280 HydrophobicContact CD2-CG1 4.15Å; L155-T282 HydrophobicContact CD2-CG2 4.3Å |
| 156 | S | 83.2 | Confident | 88.9 | Confident | 37 Ų | 37 | 42 Ų | 42 | 26% | 0.259 | 22% | 0.215 | S | C | . | . | trans | -89.2 | 133.4 | -176.3 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | K158 E159 | S156-K158 PolarHBondContact O-N 2.98Å; S156-K158 PolarHBondContact OG-N 2.79Å; S156-E159 WeakPolarHBondContact O-CB 3.47Å; S156-E159 PolarHBondContact O-N 3.42Å | ||
| 157 | D | 79.3 | Confident | 89.3 | Confident | 105 Ų | 105 | 43.5 Ų | 43.5 | 56% | 0.561 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -9.6 | 172.8 | -54.8 | -17.8 | 0 | 0 | 0 | 114.4 | E159 Q224 | D157-E159 VanDerWaalsContact C-N 3.34Å; D157-Q224 PolarHBondContact OD1-NE2 2.78Å; D157-Q224 PolarHBondContact OD1-OE1 3.35Å |
| 158 | K | 80.6 | Confident | 89.5 | Confident | 168 Ų | 168 | 38.2 Ų | 38.2 | 73% | 0.73 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -0.5 | 173.8 | -60.5 | 175.4 | -175.2 | 169.2 | 0 | 113.2 | S156 | S156-K158 PolarHBondContact O-N 2.98Å; S156-K158 PolarHBondContact OG-N 2.79Å |
| 159 | E | 85 | Confident | 89.4 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.9 | -175.4 | -59.6 | -175.6 | -168.1 | 0 | 0 | 111.4 | S156 D157 T282 K287 | S156-E159 WeakPolarHBondContact O-CB 3.47Å; S156-E159 PolarHBondContact O-N 3.42Å; D157-E159 VanDerWaalsContact C-N 3.34Å; E159-T282 HydrophobicContact CB-CG2 4.47Å; E159-T282 PolarHBondContact OE2-OG1 2.67Å; E159-K287 IonicContact OE1-NZ 2.78Å; E159-K287 PolarHBondContact OE1-NZ 3.46Å |
| 160 | E | 87.8 | Confident | 89.3 | Confident | 97 Ų | 97 | 36.4 Ų | 36.4 | 45% | 0.453 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 125.5 | -176.7 | -178.7 | -174.6 | 172.6 | 0 | 0 | 110.5 | V162 T282 R283 | E160-V162 PolarHBondContact O-N 2.73Å; E160-T282 CarbonylContact O-C 3.48Å; E160-T282 VanDerWaalsContact O-CA 3.27Å; E160-T282 WeakPolarHBondContact O-CA 3.36Å; E160-R283 HydrophobicContact CB-CB 4.27Å; E160-R283 PolarHBondContact N-O 3Å; E160-R283 PolarHBondContact O-N 2.8Å; E160-R283 IonicContact OE1-CZ 3.89Å; E160-R283 IonicContact OE1-NE 3.87Å; E160-R283 IonicContact OE1-NH2 3.2Å; E160-R283 PolarHBondContact OE1-NH2 2.91Å; E160-R283 IonicContact OE2-CZ 2.68Å; E160-R283 IonicContact OE2-NE 2.8Å; E160-R283 PolarHBondContact OE2-NE 3.47Å; E160-R283 IonicContact OE2-NH2 2.73Å; E160-R283 PolarHBondContact OE2-NH2 2.83Å |
| 161 | L | 88.9 | Confident | 89 | Confident | 25 Ų | 25 | 39.5 Ų | 39.5 | 13% | 0.131 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 105.2 | -179.4 | 178.9 | 67.9 | 0 | 0 | 0 | 111.8 | W218 L221 W226 V280 | L161-W218 PolarHBondContact O-NE1 3.22Å; L161-L221 HydrophobicContact CD2-CB 3.57Å; L161-L221 VanDerWaalsContact CD2-O 3.32Å; L161-L221 WeakPolarHBondContact CD2-O 3.46Å; L161-W226 HydrophobicContact CB-CH2 4.1Å; L161-W226 HydrophobicContact CB-CZ2 3.88Å; L161-W226 HydrophobicContact CD2-CZ2 4.24Å; L161-V280 HydrophobicContact CD1-CG1 3.4Å |
| 162 | V | 89.6 | Confident | 88.6 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 7% | 0.073 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -37.6 | -175.9 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | K122 A124 E160 F281 R283 | K122-V162 HydrophobicContact CB-CG1 3.56Å; K122-V162 HydrophobicContact CD-CG1 4.29Å; K122-V162 HydrophobicContact CG-CG1 4.1Å; K122-V162 PolarHBondContact NZ-O 2.83Å; K122-V162 WeakPolarHBondContact O-CG1 3.33Å; A124-V162 HydrophobicContact CB-CB 4.22Å; A124-V162 HydrophobicContact CB-CG1 4.26Å; A124-V162 HydrophobicContact CB-CG2 4.17Å; E160-V162 PolarHBondContact O-N 2.73Å; V162-F281 HydrophobicContact CB-CB 4.33Å; V162-F281 WeakPolarHBondContact CB-O 3.4Å; V162-F281 PolarHBondContact N-O 3.32Å; V162-R283 HydrophobicContact CG2-CB 3.79Å |
| 163 | G | 90.9 | Very high | 87.7 | Confident | 8 Ų | 8 | 41.6 Ų | 41.6 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.6 | 162.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | W218 F281 | G163-W218 VanDerWaalsContact CA-CD1 3.49Å; G163-F281 PolarHBondContact N-O 2.84Å; G163-F281 PolarHBondContact O-N 2.94Å |
| 164 | A | 93.4 | Very high | 86.8 | Confident | 3 Ų | 3 | 45 Ų | 45 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 132.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V217 W218 L221 V279 V280 | A164-V217 HydrophobicContact CB-CG2 3.83Å; A164-V217 PolarHBondContact O-N 3.02Å; A164-W218 PolarHBondContact O-N 2.88Å; A164-L221 HydrophobicContact CB-CD1 3.7Å; A164-V279 CarbonylContact C-O 3.58Å; A164-V279 VanDerWaalsContact CA-O 3.29Å; A164-V279 WeakPolarHBondContact CA-O 3.39Å; A164-V280 HydrophobicContact CB-CG2 4.31Å |
| 165 | E | 94 | Very high | 85.9 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 13% | 0.126 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.1 | 178.7 | -69.9 | 175.9 | -152.7 | 0 | 0 | 109.6 | S120 R167 V214 F215 V279 F281 | S120-E165 VanDerWaalsContact CB-OE1 3.28Å; S120-E165 WeakPolarHBondContact CB-OE1 3.39Å; S120-E165 PolarHBondContact OG-OE1 2.99Å; E165-R167 IonicContact OE2-CZ 3.9Å; E165-R167 IonicContact OE2-NH1 3.71Å; E165-R167 PolarHBondContact OE2-NH1 2.91Å; E165-V214 HydrophobicContact CB-CG1 4.13Å; E165-V214 HydrophobicContact CG-CG1 4.21Å; E165-F215 CarbonylContact C-O 3.57Å; E165-F215 WeakPolarHBondContact CA-O 3.21Å; E165-V279 PolarHBondContact N-O 2.85Å; E165-V279 PolarHBondContact O-N 2.88Å; E165-F281 HydrophobicContact CB-CE2 4.33Å; E165-F281 HydrophobicContact CG-CE2 3.92Å |
| 166 | L | 95.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 126.2 | 163 | 176.1 | 69.3 | 0 | 0 | 0 | 108.8 | F150 L168 L188 V214 F215 V217 L231 | F150-L166 HydrophobicContact CE1-CD1 4.47Å; F150-L166 HydrophobicContact CE2-CD1 3.69Å; F150-L166 HydrophobicContact CZ-CD1 3.42Å; F150-L166 VanDerWaalsContact CZ-CD1 3.42Å; L166-L168 HydrophobicContact CD1-CD2 3.93Å; L166-L168 HydrophobicContact CD2-CD1 4.08Å; L166-L168 HydrophobicContact CD2-CD2 3.92Å; L166-L168 HydrophobicContact CD2-CG 3.93Å; L166-L168 HydrophobicContact CG-CD2 3.9Å; L166-L168 HydrophobicContact CG-CG 4Å; L166-L188 HydrophobicContact CB-CD2 4.43Å; L166-L188 HydrophobicContact CD2-CD1 3.81Å; L166-L188 HydrophobicContact CD2-CD2 3.62Å; L166-L188 HydrophobicContact CD2-CG 4.39Å; L166-V214 WeakPolarHBondContact O-CA 3.37Å; L166-F215 HydrophobicContact CB-CB 4.41Å; L166-F215 PolarHBondContact N-O 2.83Å; L166-F215 PolarHBondContact O-N 3.37Å; L166-V217 HydrophobicContact CB-CG1 3.69Å; L166-V217 HydrophobicContact CB-CG2 4.2Å; L166-L231 HydrophobicContact CB-CD1 4.41Å; L166-L231 HydrophobicContact CD1-CD1 4.44Å; L166-L231 HydrophobicContact CD2-CD1 3.85Å; L166-L231 HydrophobicContact CG-CD1 4.46Å |
| 167 | R | 94.4 | Very high | 84.3 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115 | 178.5 | -48.4 | -175.2 | 70.6 | 90.9 | 0.1 | 108.7 | Y97 E165 W212 V214 A276 L277 | Y97-R167 VanDerWaalsContact CE2-CZ 3.48Å; Y97-R167 VanDerWaalsContact CZ-NH1 3.35Å; Y97-R167 PolarHBondContact OH-NH1 2.81Å; E165-R167 IonicContact OE2-CZ 3.9Å; E165-R167 IonicContact OE2-NH1 3.71Å; E165-R167 PolarHBondContact OE2-NH1 2.91Å; R167-W212 HydrophobicContact CB-CE3 3.77Å; R167-W212 HydrophobicContact CB-CZ3 4.12Å; R167-W212 WeakPolarHBondContact O-CZ3 3.43Å; R167-V214 HydrophobicContact CG-CG1 4.39Å; R167-V214 HydrophobicContact CG-CG2 4.3Å; R167-A276 WeakPolarHBondContact O-CA 3.42Å; R167-L277 HydrophobicContact CB-CB 4.47Å; R167-L277 PolarHBondContact N-O 2.93Å; R167-L277 PolarHBondContact O-N 2.84Å |
| 168 | L | 93 | Very high | 83.5 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 115.4 | 179 | -61.4 | -172.4 | 0 | 0 | 0 | 110 | Y148 L166 R170 E213 F215 L233 F265 A276 | Y148-L168 HydrophobicContact CD1-CD2 3.93Å; Y148-L168 HydrophobicContact CD2-CD2 4.49Å; Y148-L168 HydrophobicContact CE1-CD2 3.59Å; Y148-L168 HydrophobicContact CE2-CD1 4.05Å; Y148-L168 HydrophobicContact CE2-CD2 4.18Å; Y148-L168 HydrophobicContact CG-CD2 4.37Å; L166-L168 HydrophobicContact CD1-CD2 3.93Å; L166-L168 HydrophobicContact CD2-CD1 4.08Å; L166-L168 HydrophobicContact CD2-CD2 3.92Å; L166-L168 HydrophobicContact CD2-CG 3.93Å; L166-L168 HydrophobicContact CG-CD2 3.9Å; L166-L168 HydrophobicContact CG-CG 4Å; L168-R170 PolarHBondContact O-N 3.38Å; L168-E213 PolarHBondContact N-O 3.09Å; L168-E213 PolarHBondContact O-N 3.14Å; L168-F215 HydrophobicContact CB-CE2 4.39Å; L168-F215 HydrophobicContact CD1-CD2 4.44Å; L168-F215 HydrophobicContact CD1-CE2 3.89Å; L168-F215 HydrophobicContact CG-CD2 4.46Å; L168-F215 HydrophobicContact CG-CE2 4.17Å; L168-L233 HydrophobicContact CD1-CD1 3.72Å; L168-L233 HydrophobicContact CD1-CD2 3.87Å; L168-L233 HydrophobicContact CD1-CG 4.38Å; L168-F265 HydrophobicContact CB-CD1 4.43Å; L168-F265 HydrophobicContact CB-CE1 4.3Å; L168-F265 HydrophobicContact CD1-CE1 4.49Å; L168-A276 HydrophobicContact CD2-CB 3.41Å; L168-A276 VanDerWaalsContact CD2-CB 3.41Å |
| 169 | F | 90.4 | Very high | 82.6 | Confident | 28 Ų | 28 | 39 Ų | 39 | 12% | 0.123 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 121.4 | 172.1 | -173.1 | -111.6 | 0 | 0 | 0 | 109.7 | Q171 A210 G211 W212 R270 E274 | F169-Q171 HydrophobicContact CD1-CG 4.04Å; F169-Q171 HydrophobicContact CE1-CG 3.71Å; F169-A210 HydrophobicContact CE1-CB 4.44Å; F169-A210 HydrophobicContact CE2-CB 4.28Å; F169-A210 HydrophobicContact CZ-CB 3.73Å; F169-G211 CarbonylContact C-O 3.58Å; F169-G211 WeakPolarHBondContact CA-O 3.41Å; F169-G211 VanDerWaalsContact CD2-O 3.27Å; F169-G211 WeakPolarHBondContact CD2-O 3.19Å; F169-W212 HydrophobicContact CB-CD2 4.07Å; F169-W212 HydrophobicContact CB-CE3 3.9Å; F169-W212 HydrophobicContact CB-CH2 3.73Å; F169-W212 HydrophobicContact CB-CZ2 3.87Å; F169-W212 HydrophobicContact CB-CZ3 3.74Å; F169-W212 HydrophobicContact CD2-CD2 4.12Å; F169-W212 AromaticContact CD2-CE2 3.77Å; F169-W212 HydrophobicContact CD2-CG 4.34Å; F169-W212 HydrophobicContact CD2-CZ2 4.14Å; F169-W212 AromaticContact CD2-NE1 3.79Å; F169-W212 HydrophobicContact CG-CZ2 4.29Å; F169-W212 VanDerWaalsContact N-CE3 3.34Å; F169-R270 VanDerWaalsContact O-CZ 3.24Å; F169-R270 PolarHBondContact O-NH1 3.46Å; F169-R270 PolarHBondContact O-NH2 3.17Å; F169-E274 HydrophobicContact CD1-CB 3.89Å; F169-E274 HydrophobicContact CD1-CG 3.59Å; F169-E274 WeakPolarHBondContact CD1-OE2 3.35Å; F169-E274 HydrophobicContact CE1-CB 4.42Å; F169-E274 VanDerWaalsContact CE1-CD 3.42Å; F169-E274 HydrophobicContact CE1-CG 3.65Å; F169-E274 WeakPolarHBondContact CE1-OE2 3.36Å; F169-E274 HydrophobicContact CG-CB 4.41Å; F169-E274 HydrophobicContact CG-CG 4.21Å; F169-E274 HydrophobicContact CZ-CG 4.32Å |
| 170 | R | 89.2 | Confident | 81.3 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.1 | 173.8 | -172.8 | -175.3 | 49.7 | 60.7 | 11 | 108.1 | L168 A210 G211 E213 L263 F265 | L168-R170 PolarHBondContact O-N 3.38Å; R170-A210 VanDerWaalsContact O-CA 3.3Å; R170-A210 WeakPolarHBondContact O-CA 3.46Å; R170-G211 PolarHBondContact N-O 2.84Å; R170-G211 PolarHBondContact O-N 2.83Å; R170-E213 HydrophobicContact CB-CG 3.88Å; R170-E213 IonicContact CZ-OE1 2.7Å; R170-E213 IonicContact NE-OE1 3.24Å; R170-E213 PolarHBondContact NE-OE1 2.9Å; R170-E213 IonicContact NH2-OE1 3.93Å; R170-E213 PolarHBondContact NH2-OE1 2.99Å; R170-L263 VanDerWaalsContact CD-O 3.26Å; R170-L263 WeakPolarHBondContact CD-O 3.23Å; R170-L263 WeakPolarHBondContact CG-O 3.36Å; R170-F265 HydrophobicContact CB-CD1 4.3Å; R170-F265 HydrophobicContact CB-CE1 3.87Å; R170-F265 HydrophobicContact CB-CZ 4.18Å; R170-F265 HydrophobicContact CG-CD1 4.4Å; R170-F265 HydrophobicContact CG-CE1 4.04Å; R170-F265 HydrophobicContact CG-CE2 4.17Å; R170-F265 HydrophobicContact CG-CZ 3.93Å |
| 171 | Q | 86.5 | Confident | 79.8 | Confident | 67 Ų | 67 | 43.4 Ų | 43.4 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -71 | 155.1 | 175.1 | -71.3 | 174.3 | -13.1 | 0 | 0 | 110.4 | F169 G264 E274 | F169-Q171 HydrophobicContact CD1-CG 4.04Å; F169-Q171 HydrophobicContact CE1-CG 3.71Å; Q171-G264 PolarHBondContact N-O 3.24Å; Q171-E274 PolarHBondContact NE2-OE2 2.83Å |
| 172 | A | 81.9 | Confident | 78.9 | Confident | 54 Ų | 54 | 44 Ų | 44 | 45% | 0.446 | 29% | 0.291 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 145.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | A210 | A172-A210 HydrophobicContact CB-CB 4.32Š|
| 173 | P | 74.4 | Confident | 78.3 | Confident | 24 Ų | 24 | 46 Ų | 46 | 16% | 0.156 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 139.9 | 171.8 | -5.6 | 6.1 | 0 | 0 | 0 | 112.2 | A175 W177 | P173-A175 VanDerWaalsContact C-N 3.28Å; P173-A175 WeakPolarHBondContact CB-O 3.27Å; P173-W177 HydrophobicContact CB-CD2 4.31Å; P173-W177 HydrophobicContact CB-CE3 3.6Å; P173-W177 HydrophobicContact CB-CH2 3.98Å; P173-W177 HydrophobicContact CB-CZ3 3.41Å; P173-W177 VanDerWaalsContact CB-CZ3 3.41Å; P173-W177 HydrophobicContact CG-CD2 4.37Å; P173-W177 HydrophobicContact CG-CE3 3.97Å; P173-W177 HydrophobicContact CG-CH2 3.54Å; P173-W177 HydrophobicContact CG-CZ2 3.93Å; P173-W177 HydrophobicContact CG-CZ3 3.54Å |
| 174 | S | 69.8 | Low | 78 | Confident | 136 Ų | 136 | 45.6 Ų | 45.6 | 95% | 0.951 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -76.3 | -19.6 | 163.5 | 57.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 175 | A | 69.2 | Low | 77.7 | Confident | 59 Ų | 59 | 45.9 Ų | 45.9 | 49% | 0.488 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -158.1 | 155.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | P173 | P173-A175 VanDerWaalsContact C-N 3.28Å; P173-A175 WeakPolarHBondContact CB-O 3.27Å |
| 176 | P | 70.4 | Confident | 77.5 | Confident | 85 Ų | 85 | 44.7 Ų | 44.7 | 55% | 0.552 | 30% | 0.295 | S | S | * | . | trans | -54.4 | 141.5 | 171.9 | -24.8 | 34.8 | 0 | 0 | 0 | 112 | ||||
| 177 | W | 66.6 | Low | 77.4 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | trans | -112.1 | 111.6 | -169.2 | 42.9 | 54.2 | 0 | 0 | 0 | 113.6 | P173 D203 P204 S262 L263 | P173-W177 HydrophobicContact CB-CD2 4.31Å; P173-W177 HydrophobicContact CB-CE3 3.6Å; P173-W177 HydrophobicContact CB-CH2 3.98Å; P173-W177 HydrophobicContact CB-CZ3 3.41Å; P173-W177 VanDerWaalsContact CB-CZ3 3.41Å; P173-W177 HydrophobicContact CG-CD2 4.37Å; P173-W177 HydrophobicContact CG-CE3 3.97Å; P173-W177 HydrophobicContact CG-CH2 3.54Å; P173-W177 HydrophobicContact CG-CZ2 3.93Å; P173-W177 HydrophobicContact CG-CZ3 3.54Å; W177-D203 PolarHBondContact NE1-O 2.84Å; W177-P204 PolarHBondContact N-O 3.05Å; W177-P204 WeakPolarHBondContact O-CB 3.46Å; W177-S262 WeakPolarHBondContact CZ3-O 3.47Å; W177-L263 HydrophobicContact CB-CD2 4.45Å; W177-L263 HydrophobicContact CD2-CD2 3.63Å; W177-L263 HydrophobicContact CE3-CD2 4.09Å; W177-L263 HydrophobicContact CG-CD2 3.79Å; W177-L263 VanDerWaalsContact CH2-O 3.26Å; W177-L263 WeakPolarHBondContact CH2-O 3.49Å; W177-L263 HydrophobicContact CZ2-CD2 4.29Å; W177-L263 VanDerWaalsContact CZ3-C 3.48Å; W177-L263 VanDerWaalsContact CZ3-CA 3.4Å | ||
| 178 | G | 61.8 | Low | 77.3 | Confident | 50 Ų | 50 | 44.2 Ų | 44.2 | 52% | 0.515 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 89.8 | -173.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 179 | P | 62.3 | Low | 77.3 | Confident | 59 Ų | 59 | 44.9 Ų | 44.9 | 38% | 0.383 | 30% | 0.298 | S | S | . | . | trans | -84.6 | 179.5 | -174.2 | 2.8 | 16 | 0 | 0 | 0 | 112.1 | A181 P255 | P179-A181 HydrophobicContact CB-CB 3.91Å; P179-A181 HydrophobicContact CG-CB 3.9Å; P179-A181 PolarHBondContact O-N 2.84Å; P179-P255 HydrophobicContact CG-CG 3.98Å | ||
| 180 | L | 56.9 | Low | 77.3 | Confident | 161 Ų | 161 | 44.8 Ų | 44.8 | 84% | 0.843 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -65.6 | 18.4 | 161.8 | -81.6 | 139.5 | 0 | 0 | 0 | 113.7 | G182 | L180-G182 PolarHBondContact O-N 2.86Š|
| 181 | A | 57.6 | Low | 77.2 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 41% | 0.405 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -85.1 | 47.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P179 | P179-A181 HydrophobicContact CB-CB 3.91Å; P179-A181 HydrophobicContact CG-CB 3.9Å; P179-A181 PolarHBondContact O-N 2.84Å |
| 182 | G | 69.1 | Low | 77.2 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 38% | 0.381 | 34% | 0.339 | S | S | . | . | trans | 77.1 | -177.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | L180 | L180-G182 PolarHBondContact O-N 2.86Š| ||
| 183 | P | 76.9 | Confident | 77.4 | Confident | 54 Ų | 54 | 51 Ų | 51 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | trans | -68.9 | 149.2 | 179.6 | 27.6 | -34 | 0 | 0 | 0 | 112.8 | T201 | P183-T201 HydrophobicContact CB-CG2 3.51Å; P183-T201 HydrophobicContact CG-CG2 4.5Å | ||
| 184 | L | 84.1 | Confident | 78 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.3 | 169.5 | -176.6 | 75.3 | 0 | 0 | 0 | 109.1 | L202 A236 W237 P258 L263 | L184-L202 PolarHBondContact N-O 3.05Å; L184-L202 PolarHBondContact O-N 3.17Å; L184-A236 WeakPolarHBondContact CD1-O 3.39Å; L184-W237 HydrophobicContact CB-CE3 3.99Å; L184-W237 HydrophobicContact CB-CH2 4.36Å; L184-W237 HydrophobicContact CB-CZ3 3.77Å; L184-W237 HydrophobicContact CD1-CD2 3.61Å; L184-W237 HydrophobicContact CD1-CE3 3.7Å; L184-W237 HydrophobicContact CD1-CG 4.2Å; L184-W237 HydrophobicContact CD1-CH2 4.12Å; L184-W237 HydrophobicContact CD1-CZ2 4.05Å; L184-W237 HydrophobicContact CD1-CZ3 3.95Å; L184-W237 HydrophobicContact CG-CE3 4.47Å; L184-W237 HydrophobicContact CG-CZ3 4.42Å; L184-P258 HydrophobicContact CD1-CG 4.01Å; L184-P258 HydrophobicContact CD2-CG 3.64Å; L184-L263 HydrophobicContact CD2-CD1 3.64Å; L184-L263 HydrophobicContact CD2-CD2 3.59Å; L184-L263 HydrophobicContact CD2-CG 4.25Å |
| 185 | H | 87.5 | Confident | 78.9 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.5 | 176.9 | -65.6 | -98.9 | 0 | 0 | 0 | 110.7 | Q187 T201 A235 A236 G238 | H185-Q187 HydrophobicContact CB-CG 4.49Å; H185-T201 PolarHBondContact CE1-OG1 3.05Å; H185-T201 PolarHBondContact ND1-OG1 2.85Å; H185-A235 WeakPolarHBondContact O-CA 3.45Å; H185-A236 PolarHBondContact N-O 2.95Å; H185-A236 PolarHBondContact O-N 3.39Å; H185-G238 PolarHBondContact CD2-O 3.14Å |
| 186 | V | 90.3 | Very high | 79.9 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 117.1 | 168.2 | 175.5 | 0 | 0 | 0 | 0 | 107.8 | A199 R200 L202 F215 L233 R234 L263 F265 | V186-A199 CarbonylContact O-C 3.53Å; V186-A199 VanDerWaalsContact O-CA 3.29Å; V186-A199 WeakPolarHBondContact O-CA 3.42Å; V186-R200 PolarHBondContact N-O 2.78Å; V186-R200 PolarHBondContact O-N 2.66Å; V186-L202 HydrophobicContact CG2-CD1 3.5Å; V186-L202 HydrophobicContact CG2-CG 3.94Å; V186-F215 HydrophobicContact CG1-CE1 4.42Å; V186-F215 HydrophobicContact CG1-CZ 4.06Å; V186-L233 HydrophobicContact CG1-CD1 3.43Å; V186-L233 VanDerWaalsContact CG1-CD1 3.43Å; V186-L233 HydrophobicContact CG1-CD2 4.06Å; V186-L233 HydrophobicContact CG1-CG 3.72Å; V186-R234 CarbonylContact C-O 3.55Å; V186-R234 WeakPolarHBondContact CA-O 3.19Å; V186-L263 HydrophobicContact CG2-CD1 4.43Å; V186-F265 HydrophobicContact CG1-CE2 4.39Å; V186-F265 HydrophobicContact CG1-CZ 4.23Å; V186-F265 HydrophobicContact CG2-CE2 3.96Å; V186-F265 HydrophobicContact CG2-CZ 4.26Å |
| 187 | Q | 92.3 | Very high | 80.9 | Confident | 26 Ų | 26 | 49.1 Ų | 49.1 | 12% | 0.121 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 140.8 | -171.3 | -67.2 | 175.7 | -15.6 | 0 | 0 | 110.3 | H185 F189 L196 A199 R234 | H185-Q187 HydrophobicContact CB-CG 4.49Å; Q187-F189 HydrophobicContact CB-CD2 4.37Å; Q187-F189 HydrophobicContact CB-CE2 3.5Å; Q187-F189 HydrophobicContact CB-CZ 4.01Å; Q187-L196 HydrophobicContact CB-CD1 3.69Å; Q187-L196 HydrophobicContact CG-CD1 4.06Å; Q187-A199 HydrophobicContact CG-CB 4.24Å; Q187-R234 PolarHBondContact N-O 2.84Å; Q187-R234 PolarHBondContact O-N 3.47Å |
| 188 | L | 93.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.8 | -176.8 | -170.9 | 68 | 0 | 0 | 0 | 111.5 | L166 L197 D198 F215 V217 L231 L233 | L166-L188 HydrophobicContact CB-CD2 4.43Å; L166-L188 HydrophobicContact CD2-CD1 3.81Å; L166-L188 HydrophobicContact CD2-CD2 3.62Å; L166-L188 HydrophobicContact CD2-CG 4.39Å; L188-L197 PolarHBondContact O-N 2.84Å; L188-D198 PolarHBondContact N-O 3.21Å; L188-F215 HydrophobicContact CB-CD1 4.09Å; L188-F215 HydrophobicContact CB-CE1 4.46Å; L188-F215 HydrophobicContact CD2-CB 3.58Å; L188-F215 HydrophobicContact CD2-CD1 4.1Å; L188-F215 HydrophobicContact CD2-CG 3.84Å; L188-V217 HydrophobicContact CD2-CG1 3.46Å; L188-V217 VanDerWaalsContact CD2-CG1 3.46Å; L188-L231 HydrophobicContact CD1-CB 4.06Å; L188-L233 HydrophobicContact CD1-CD1 3.93Å |
| 189 | F | 91.4 | Very high | 83.6 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 154 | -176.6 | -60 | -90.4 | 0 | 0 | 0 | 111.3 | Q187 P194 L196 L231 E232 R234 | Q187-F189 HydrophobicContact CB-CD2 4.37Å; Q187-F189 HydrophobicContact CB-CE2 3.5Å; Q187-F189 HydrophobicContact CB-CZ 4.01Å; F189-P194 WeakPolarHBondContact CD1-O 2.98Å; F189-P194 WeakPolarHBondContact CE1-O 3.23Å; F189-L196 HydrophobicContact CD1-CB 4.43Å; F189-L196 HydrophobicContact CD1-CD1 4.49Å; F189-L196 HydrophobicContact CE1-CB 3.92Å; F189-L196 HydrophobicContact CE1-CD1 3.95Å; F189-L196 HydrophobicContact CE2-CD1 4.18Å; F189-L196 HydrophobicContact CZ-CD1 3.78Å; F189-L231 CarbonylContact O-C 3.58Å; F189-L231 WeakPolarHBondContact O-CA 3.37Å; F189-E232 PolarHBondContact N-O 2.88Å; F189-E232 PolarHBondContact O-N 2.83Å; F189-R234 HydrophobicContact CD2-CG 4.01Å; F189-R234 HydrophobicContact CE2-CB 4.25Å; F189-R234 HydrophobicContact CE2-CG 4.08Å |
| 190 | P | 91.4 | Very high | 84.8 | Confident | 26 Ų | 26 | 49.3 Ų | 49.3 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 140.3 | 162.7 | -10.5 | 27.6 | 0 | 0 | 0 | 109.6 | L192 S193 L195 L197 | P190-L192 PolarHBondContact O-N 3.06Å; P190-S193 PolarHBondContact O-N 2.77Å; P190-S193 VanDerWaalsContact O-N 3.11Å; P190-L195 WeakPolarHBondContact CD-O 3.29Å; P190-L197 HydrophobicContact CG-CD1 4.1Å; P190-L197 HydrophobicContact CG-CD2 4.15Å; P190-L197 HydrophobicContact CG-CG 4.07Å |
| 191 | C | 88.1 | Confident | 86.3 | Confident | 36 Ų | 36 | 45.9 Ų | 45.9 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -13.1 | -179.2 | -62.6 | 0 | 0 | 0 | 0 | 115.2 | C230 L231 | C191-C230 HydrophobicContact CB-CB 3.56Å; C191-C230 WeakPolarHBondContact CB-SG 3.45Å; C191-C230 PolarHBondContact N-O 3.11Å; C191-C230 WeakPolarHBondContact SG-CB 3.16Å; C191-C230 PolarHBondContact SG-O 2.84Å; C191-C230 VanDerWaalsContact SG-O 3.35Å; C191-C230 CovalentContact SG-SG 2.03Å; C191-C230 PolarHBondContact SG-SG 3.02Å; C191-L231 PolarHBondContact SG-N 2.76Å; C191-L231 VanDerWaalsContact SG-N 3.42Å |
| 192 | L | 86.1 | Confident | 87.5 | Confident | 176 Ų | 176 | 44 Ų | 44 | 92% | 0.921 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | 6.8 | -177.5 | -57.9 | 178.3 | 0 | 0 | 0 | 113.3 | P190 | P190-L192 PolarHBondContact O-N 3.06Š|
| 193 | S | 85.8 | Confident | 87.9 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 34% | 0.336 | 26% | 0.261 | S | S | . | . | trans | -147.4 | 139.6 | -177 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | P190 L195 | P190-S193 PolarHBondContact O-N 2.77Å; P190-S193 VanDerWaalsContact O-N 3.11Å; S193-L195 PolarHBondContact O-N 3.5Å; S193-L195 WeakPolarHBondContact OG-CB 3.37Å; S193-L195 PolarHBondContact OG-N 2.96Å | ||
| 194 | P | 85.9 | Confident | 87.5 | Confident | 88 Ų | 88 | 44.4 Ų | 44.4 | 57% | 0.571 | 25% | 0.247 | S | C | * | . | trans | -76.2 | -1.8 | 172.4 | 33.4 | -35.8 | 0 | 0 | 0 | 113.3 | F189 L196 | F189-P194 WeakPolarHBondContact CD1-O 2.98Å; F189-P194 WeakPolarHBondContact CE1-O 3.23Å; P194-L196 PolarHBondContact O-N 3.32Å | ||
| 195 | L | 89 | Confident | 86.8 | Confident | 104 Ų | 104 | 49 Ų | 49 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | trans | -65.8 | 119.4 | 178.1 | -178.2 | 64.3 | 0 | 0 | 0 | 111 | P190 S193 L197 | P190-L195 WeakPolarHBondContact CD-O 3.29Å; S193-L195 PolarHBondContact O-N 3.5Å; S193-L195 WeakPolarHBondContact OG-CB 3.37Å; S193-L195 PolarHBondContact OG-N 2.96Å; L195-L197 PolarHBondContact O-N 3.03Å | ||
| 196 | L | 91.1 | Very high | 85.6 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | trans | -63.1 | 126.8 | 170.5 | -176.1 | 67.6 | 0 | 0 | 0 | 109.7 | Q187 F189 P194 D198 A199 P240 | Q187-L196 HydrophobicContact CB-CD1 3.69Å; Q187-L196 HydrophobicContact CG-CD1 4.06Å; F189-L196 HydrophobicContact CD1-CB 4.43Å; F189-L196 HydrophobicContact CD1-CD1 4.49Å; F189-L196 HydrophobicContact CE1-CB 3.92Å; F189-L196 HydrophobicContact CE1-CD1 3.95Å; F189-L196 HydrophobicContact CE2-CD1 4.18Å; F189-L196 HydrophobicContact CZ-CD1 3.78Å; P194-L196 PolarHBondContact O-N 3.32Å; L196-D198 WeakPolarHBondContact CD1-O 3.28Å; L196-A199 HydrophobicContact CD1-CB 4.48Å; L196-A199 HydrophobicContact CD2-CB 4.35Å; L196-P240 HydrophobicContact CD2-CB 4.13Å | ||
| 197 | L | 91.1 | Very high | 84.2 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | trans | -83.1 | -51.2 | 172.6 | -67.4 | 171.6 | 0 | 0 | 0 | 110.8 | L188 P190 L195 V217 Q219 L231 | L188-L197 PolarHBondContact O-N 2.84Å; P190-L197 HydrophobicContact CG-CD1 4.1Å; P190-L197 HydrophobicContact CG-CD2 4.15Å; P190-L197 HydrophobicContact CG-CG 4.07Å; L195-L197 PolarHBondContact O-N 3.03Å; L197-V217 HydrophobicContact CD1-CB 4.46Å; L197-V217 HydrophobicContact CD1-CG1 4.28Å; L197-Q219 HydrophobicContact CD2-CB 3.92Å; L197-L231 HydrophobicContact CD1-CD2 3.66Å | ||
| 198 | D | 91.8 | Very high | 83 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 17% | 0.166 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 159.5 | -174.2 | -162 | -2.2 | 0 | 0 | 0 | 109.9 | L188 L196 R200 F215 D216 | L188-D198 PolarHBondContact N-O 3.21Å; L196-D198 WeakPolarHBondContact CD1-O 3.28Å; D198-R200 VanDerWaalsContact CG-NH1 3.29Å; D198-R200 IonicContact OD1-CZ 2.68Å; D198-R200 IonicContact OD1-NH1 2.74Å; D198-R200 PolarHBondContact OD1-NH1 3.01Å; D198-R200 IonicContact OD1-NH2 3.42Å; D198-R200 IonicContact OD2-CZ 3.51Å; D198-R200 VanDerWaalsContact OD2-CZ 3.28Å; D198-R200 IonicContact OD2-NH1 3.79Å; D198-R200 PolarHBondContact OD2-NH1 3.22Å; D198-R200 IonicContact OD2-NH2 3.83Å; D198-R200 PolarHBondContact OD2-NH2 2.86Å; D198-F215 HydrophobicContact CB-CB 4.22Å; D198-F215 HydrophobicContact CB-CD1 4.25Å; D198-F215 VanDerWaalsContact OD2-CA 3.28Å; D198-F215 WeakPolarHBondContact OD2-CA 3.46Å; D198-D216 PolarHBondContact OD2-N 3Å |
| 199 | A | 92 | Very high | 82.1 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 17% | 0.174 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 146.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V186 Q187 L196 | V186-A199 CarbonylContact O-C 3.53Å; V186-A199 VanDerWaalsContact O-CA 3.29Å; V186-A199 WeakPolarHBondContact O-CA 3.42Å; Q187-A199 HydrophobicContact CG-CB 4.24Å; L196-A199 HydrophobicContact CD1-CB 4.48Å; L196-A199 HydrophobicContact CD2-CB 4.35Å |
| 200 | R | 89.5 | Confident | 81.9 | Confident | 79 Ų | 79 | 60.5 Ų | 60.5 | 30% | 0.298 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 131.9 | 176.1 | -67.7 | -68.7 | 170.7 | -88.5 | -6.2 | 110.9 | V186 D198 V214 F215 | V186-R200 PolarHBondContact N-O 2.78Å; V186-R200 PolarHBondContact O-N 2.66Å; D198-R200 VanDerWaalsContact CG-NH1 3.29Å; D198-R200 IonicContact OD1-CZ 2.68Å; D198-R200 IonicContact OD1-NH1 2.74Å; D198-R200 PolarHBondContact OD1-NH1 3.01Å; D198-R200 IonicContact OD1-NH2 3.42Å; D198-R200 IonicContact OD2-CZ 3.51Å; D198-R200 VanDerWaalsContact OD2-CZ 3.28Å; D198-R200 IonicContact OD2-NH1 3.79Å; D198-R200 PolarHBondContact OD2-NH1 3.22Å; D198-R200 IonicContact OD2-NH2 3.83Å; D198-R200 PolarHBondContact OD2-NH2 2.86Å; R200-V214 PolarHBondContact NE-O 3.05Å; R200-V214 PolarHBondContact NH2-O 2.83Å; R200-F215 HydrophobicContact CB-CE1 3.97Å; R200-F215 HydrophobicContact CB-CZ 4.18Å; R200-F215 HydrophobicContact CG-CD1 3.94Å; R200-F215 HydrophobicContact CG-CE1 3.5Å; R200-F215 HydrophobicContact CG-CE2 4.5Å; R200-F215 HydrophobicContact CG-CZ 3.81Å |
| 201 | T | 87.8 | Confident | 81.7 | Confident | 90 Ų | 90 | 60.2 Ų | 60.2 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 121.7 | 176.3 | -45.3 | 0 | 0 | 0 | 0 | 109.3 | P183 H185 | P183-T201 HydrophobicContact CB-CG2 3.51Å; P183-T201 HydrophobicContact CG-CG2 4.5Å; H185-T201 PolarHBondContact CE1-OG1 3.05Å; H185-T201 PolarHBondContact ND1-OG1 2.85Å |
| 202 | L | 82.4 | Confident | 81.8 | Confident | 9 Ų | 9 | 62.5 Ų | 62.5 | 5% | 0.047 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.5 | 171 | -61.5 | -173.5 | 0 | 0 | 0 | 109.8 | L184 V186 F265 | L184-L202 PolarHBondContact N-O 3.05Å; L184-L202 PolarHBondContact O-N 3.17Å; V186-L202 HydrophobicContact CG2-CD1 3.5Å; V186-L202 HydrophobicContact CG2-CG 3.94Å; L202-F265 HydrophobicContact CD1-CE2 4.15Å; L202-F265 HydrophobicContact CD1-CZ 4.43Å |
| 203 | D | 76.7 | Confident | 82.1 | Confident | 91 Ų | 91 | 55.7 Ų | 55.7 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 127.5 | 167.5 | -176.7 | -9.9 | 0 | 0 | 0 | 109.4 | W177 Q205 G206 | W177-D203 PolarHBondContact NE1-O 2.84Å; D203-Q205 PolarHBondContact OD1-N 3.36Å; D203-G206 PolarHBondContact OD1-N 3.37Å; D203-G206 PolarHBondContact OD2-N 3.36Å |
| 204 | P | 69.1 | Low | 82.5 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -81.1 | -20 | 175 | 30.9 | -34 | 0 | 0 | 0 | 115.1 | W177 | W177-P204 PolarHBondContact N-O 3.05Å; W177-P204 WeakPolarHBondContact O-CB 3.46Å |
| 205 | Q | 70.2 | Confident | 82.9 | Confident | 95 Ų | 95 | 51.2 Ų | 51.2 | 44% | 0.444 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -100.7 | -31.8 | -177.6 | -61.6 | -57.3 | -41.4 | 0 | 0 | 112.2 | D203 | D203-Q205 PolarHBondContact OD1-N 3.36Š|
| 206 | G | 62.7 | Low | 83 | Confident | 24 Ų | 24 | 50 Ų | 50 | 25% | 0.247 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -57.5 | 138.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D203 P208 | D203-G206 PolarHBondContact OD1-N 3.37Å; D203-G206 PolarHBondContact OD2-N 3.36Å; G206-P208 WeakPolarHBondContact O-CD 3.41Å |
| 207 | A | 59.4 | Low | 83.1 | Confident | 76 Ų | 76 | 47.4 Ų | 47.4 | 63% | 0.628 | 28% | 0.281 | S | S | * | . | trans | -102.2 | 71.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 208 | P | 67.5 | Low | 83 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 25% | 0.253 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 140.2 | -177.4 | 27.4 | -35.5 | 0 | 0 | 0 | 109.9 | G206 | G206-P208 WeakPolarHBondContact O-CD 3.41Š|
| 209 | P | 75.8 | Confident | 82.7 | Confident | 105 Ų | 105 | 53 Ų | 53 | 68% | 0.682 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 161.8 | -179.6 | 26.1 | -35 | 0 | 0 | 0 | 111.5 | G211 | P209-G211 PolarHBondContact O-N 2.91Š|
| 210 | A | 86.1 | Confident | 82.3 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -60.3 | 130 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | F169 R170 A172 | F169-A210 HydrophobicContact CE1-CB 4.44Å; F169-A210 HydrophobicContact CE2-CB 4.28Å; F169-A210 HydrophobicContact CZ-CB 3.73Å; R170-A210 VanDerWaalsContact O-CA 3.3Å; R170-A210 WeakPolarHBondContact O-CA 3.46Å; A172-A210 HydrophobicContact CB-CB 4.32Å |
| 211 | G | 88.2 | Confident | 82.1 | Confident | 21 Ų | 21 | 49.7 Ų | 49.7 | 22% | 0.216 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 179.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F169 R170 P209 | F169-G211 CarbonylContact C-O 3.58Å; F169-G211 WeakPolarHBondContact CA-O 3.41Å; F169-G211 VanDerWaalsContact CD2-O 3.27Å; F169-G211 WeakPolarHBondContact CD2-O 3.19Å; R170-G211 PolarHBondContact N-O 2.84Å; R170-G211 PolarHBondContact O-N 2.83Å; P209-G211 PolarHBondContact O-N 2.91Å |
| 212 | W | 90.8 | Very high | 81.6 | Confident | 84 Ų | 84 | 53 Ų | 53 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 109.7 | -177.1 | -70.8 | 94.8 | 0 | 0 | 0 | 111.2 | H95 R167 F169 Q273 R275 | H95-W212 AromaticContact CE1-CH2 3.39Å; H95-W212 WeakPolarHBondContact CE1-CH2 3.41Å; H95-W212 AromaticContact CE1-CZ2 3.33Å; H95-W212 WeakPolarHBondContact CE1-CZ2 3.4Å; H95-W212 AromaticContact NE2-CH2 3.21Å; H95-W212 WeakPolarHBondContact NE2-CH2 2.9Å; H95-W212 AromaticContact NE2-CZ2 3.46Å; H95-W212 WeakPolarHBondContact NE2-CZ2 3.46Å; R167-W212 HydrophobicContact CB-CE3 3.77Å; R167-W212 HydrophobicContact CB-CZ3 4.12Å; R167-W212 WeakPolarHBondContact O-CZ3 3.43Å; F169-W212 HydrophobicContact CB-CD2 4.07Å; F169-W212 HydrophobicContact CB-CE3 3.9Å; F169-W212 HydrophobicContact CB-CH2 3.73Å; F169-W212 HydrophobicContact CB-CZ2 3.87Å; F169-W212 HydrophobicContact CB-CZ3 3.74Å; F169-W212 HydrophobicContact CD2-CD2 4.12Å; F169-W212 AromaticContact CD2-CE2 3.77Å; F169-W212 HydrophobicContact CD2-CG 4.34Å; F169-W212 HydrophobicContact CD2-CZ2 4.14Å; F169-W212 AromaticContact CD2-NE1 3.79Å; F169-W212 HydrophobicContact CG-CZ2 4.29Å; F169-W212 VanDerWaalsContact N-CE3 3.34Å; W212-Q273 WeakPolarHBondContact CZ2-O 3.32Å; W212-R275 WeakPolarHBondContact CH2-O 3.18Å |
| 213 | E | 92.1 | Very high | 81.2 | Confident | 33 Ų | 33 | 59.8 Ų | 59.8 | 15% | 0.154 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 123.3 | 166.3 | -51.8 | -58.4 | 162.9 | 0 | 0 | 108.1 | L168 R170 F215 F265 | L168-E213 PolarHBondContact N-O 3.09Å; L168-E213 PolarHBondContact O-N 3.14Å; R170-E213 HydrophobicContact CB-CG 3.88Å; R170-E213 IonicContact CZ-OE1 2.7Å; R170-E213 IonicContact NE-OE1 3.24Å; R170-E213 PolarHBondContact NE-OE1 2.9Å; R170-E213 IonicContact NH2-OE1 3.93Å; R170-E213 PolarHBondContact NH2-OE1 2.99Å; E213-F215 HydrophobicContact CB-CE2 3.76Å; E213-F215 HydrophobicContact CB-CZ 4.27Å; E213-F265 HydrophobicContact CG-CE1 4.12Å; E213-F265 HydrophobicContact CG-CZ 4.22Å |
| 214 | V | 93.2 | Very high | 80.7 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.5 | -176 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | E165 L166 R167 R200 | E165-V214 HydrophobicContact CB-CG1 4.13Å; E165-V214 HydrophobicContact CG-CG1 4.21Å; L166-V214 WeakPolarHBondContact O-CA 3.37Å; R167-V214 HydrophobicContact CG-CG1 4.39Å; R167-V214 HydrophobicContact CG-CG2 4.3Å; R200-V214 PolarHBondContact NE-O 3.05Å; R200-V214 PolarHBondContact NH2-O 2.83Å |
| 215 | F | 94.1 | Very high | 80.9 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.009 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.7 | -177.6 | -57 | -101.9 | 0 | 0 | 0 | 110.4 | E165 L166 L168 V186 L188 D198 R200 E213 V217 L233 | E165-F215 CarbonylContact C-O 3.57Å; E165-F215 WeakPolarHBondContact CA-O 3.21Å; L166-F215 HydrophobicContact CB-CB 4.41Å; L166-F215 PolarHBondContact N-O 2.83Å; L166-F215 PolarHBondContact O-N 3.37Å; L168-F215 HydrophobicContact CB-CE2 4.39Å; L168-F215 HydrophobicContact CD1-CD2 4.44Å; L168-F215 HydrophobicContact CD1-CE2 3.89Å; L168-F215 HydrophobicContact CG-CD2 4.46Å; L168-F215 HydrophobicContact CG-CE2 4.17Å; V186-F215 HydrophobicContact CG1-CE1 4.42Å; V186-F215 HydrophobicContact CG1-CZ 4.06Å; L188-F215 HydrophobicContact CB-CD1 4.09Å; L188-F215 HydrophobicContact CB-CE1 4.46Å; L188-F215 HydrophobicContact CD2-CB 3.58Å; L188-F215 HydrophobicContact CD2-CD1 4.1Å; L188-F215 HydrophobicContact CD2-CG 3.84Å; D198-F215 HydrophobicContact CB-CB 4.22Å; D198-F215 HydrophobicContact CB-CD1 4.25Å; D198-F215 VanDerWaalsContact OD2-CA 3.28Å; D198-F215 WeakPolarHBondContact OD2-CA 3.46Å; R200-F215 HydrophobicContact CB-CE1 3.97Å; R200-F215 HydrophobicContact CB-CZ 4.18Å; R200-F215 HydrophobicContact CG-CD1 3.94Å; R200-F215 HydrophobicContact CG-CE1 3.5Å; R200-F215 HydrophobicContact CG-CE2 4.5Å; R200-F215 HydrophobicContact CG-CZ 3.81Å; E213-F215 HydrophobicContact CB-CE2 3.76Å; E213-F215 HydrophobicContact CB-CZ 4.27Å; F215-V217 HydrophobicContact CB-CG1 4.48Å; F215-L233 HydrophobicContact CZ-CD1 4.21Å |
| 216 | D | 91.6 | Very high | 81.2 | Confident | 78 Ų | 78 | 60.2 Ų | 60.2 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126.2 | 168.1 | -169.7 | -26.7 | 0 | 0 | 0 | 109.2 | D198 W218 | D198-D216 PolarHBondContact OD2-N 3Å; D216-W218 WeakPolarHBondContact OD1-CB 3.38Å; D216-W218 PolarHBondContact OD1-N 2.92Å |
| 217 | V | 92.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -126.2 | 12.1 | 179.1 | -59.9 | 0 | 0 | 0 | 0 | 112.6 | A164 L166 L188 L197 F215 Q219 G220 L221 L231 L278 | A164-V217 HydrophobicContact CB-CG2 3.83Å; A164-V217 PolarHBondContact O-N 3.02Å; L166-V217 HydrophobicContact CB-CG1 3.69Å; L166-V217 HydrophobicContact CB-CG2 4.2Å; L188-V217 HydrophobicContact CD2-CG1 3.46Å; L188-V217 VanDerWaalsContact CD2-CG1 3.46Å; L197-V217 HydrophobicContact CD1-CB 4.46Å; L197-V217 HydrophobicContact CD1-CG1 4.28Å; F215-V217 HydrophobicContact CB-CG1 4.48Å; V217-Q219 PolarHBondContact O-N 3.27Å; V217-G220 PolarHBondContact O-N 3.08Å; V217-L221 PolarHBondContact O-N 2.81Å; V217-L231 HydrophobicContact CB-CD1 4.33Å; V217-L231 HydrophobicContact CG1-CD1 3.89Å; V217-L278 HydrophobicContact CG2-CD1 3.52Å | ||
| 218 | W | 89.6 | Confident | 83.5 | Confident | 67 Ų | 67 | 69.4 Ų | 69.4 | 25% | 0.254 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -52.9 | -40.8 | 179.1 | 173.5 | 76.6 | 0 | 0 | 0 | 112.4 | L161 G163 A164 D216 G220 L221 R222 | L161-W218 PolarHBondContact O-NE1 3.22Å; G163-W218 VanDerWaalsContact CA-CD1 3.49Å; A164-W218 PolarHBondContact O-N 2.88Å; D216-W218 WeakPolarHBondContact OD1-CB 3.38Å; D216-W218 PolarHBondContact OD1-N 2.92Å; W218-G220 VanDerWaalsContact C-N 3.27Å; W218-G220 PolarHBondContact O-N 3.29Å; W218-L221 PolarHBondContact O-N 2.87Å; W218-L221 VanDerWaalsContact O-N 3.17Å; W218-R222 PolarHBondContact O-N 2.84Å; W218-R222 VanDerWaalsContact O-N 3.16Å |
| 219 | Q | 85.9 | Confident | 84.6 | Confident | 100 Ų | 100 | 68.1 Ų | 68.1 | 47% | 0.467 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -61.3 | -34.6 | 177.7 | -60.9 | -167.3 | 67 | 0 | 0 | 112.7 | L197 V217 L221 R222 | L197-Q219 HydrophobicContact CD2-CB 3.92Å; V217-Q219 PolarHBondContact O-N 3.27Å; Q219-L221 VanDerWaalsContact C-N 3.3Å; Q219-L221 PolarHBondContact O-N 2.83Å; Q219-R222 WeakPolarHBondContact O-CB 3.29Å; Q219-R222 PolarHBondContact O-N 2.83Å |
| 220 | G | 83.3 | Confident | 85.3 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 27% | 0.268 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -71 | -23.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V217 W218 | V217-G220 PolarHBondContact O-N 3.08Å; W218-G220 VanDerWaalsContact C-N 3.27Å; W218-G220 PolarHBondContact O-N 3.29Å |
| 221 | L | 84.5 | Confident | 85.6 | Confident | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -99.7 | 2.5 | 175 | -75.8 | 167.3 | 0 | 0 | 0 | 113.2 | V152 L161 A164 V217 W218 Q219 H223 W226 L229 L278 V280 | V152-L221 HydrophobicContact CG2-CD2 4.3Å; L161-L221 HydrophobicContact CD2-CB 3.57Å; L161-L221 VanDerWaalsContact CD2-O 3.32Å; L161-L221 WeakPolarHBondContact CD2-O 3.46Å; A164-L221 HydrophobicContact CB-CD1 3.7Å; V217-L221 PolarHBondContact O-N 2.81Å; W218-L221 PolarHBondContact O-N 2.87Å; W218-L221 VanDerWaalsContact O-N 3.17Å; Q219-L221 VanDerWaalsContact C-N 3.3Å; Q219-L221 PolarHBondContact O-N 2.83Å; L221-H223 PolarHBondContact O-N 3.31Å; L221-H223 VanDerWaalsContact O-N 3.15Å; L221-W226 PolarHBondContact O-NE1 2.87Å; L221-L229 HydrophobicContact CD1-CD2 4.11Å; L221-L229 HydrophobicContact CD2-CB 4.26Å; L221-L229 HydrophobicContact CD2-CD1 4.01Å; L221-L229 HydrophobicContact CD2-CD2 4.14Å; L221-L229 HydrophobicContact CD2-CG 4.36Å; L221-L229 HydrophobicContact CG-CD1 4.1Å; L221-L229 HydrophobicContact CG-CD2 3.92Å; L221-L278 HydrophobicContact CD1-CD1 4.39Å; L221-L278 HydrophobicContact CD1-CD2 4.44Å; L221-V280 HydrophobicContact CD1-CG1 4.42Å; L221-V280 HydrophobicContact CD1-CG2 3.79Å |
| 222 | R | 77.9 | Confident | 85.8 | Confident | 159 Ų | 159 | 61.8 Ų | 61.8 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -66 | -19.9 | -174.3 | -170.8 | 171.8 | 177.9 | -173.9 | -0.5 | 114.6 | W218 Q219 | W218-R222 PolarHBondContact O-N 2.84Å; W218-R222 VanDerWaalsContact O-N 3.16Å; Q219-R222 WeakPolarHBondContact O-CB 3.29Å; Q219-R222 PolarHBondContact O-N 2.83Å |
| 223 | H | 73.2 | Confident | 85.8 | Confident | 152 Ų | 152 | 57.8 Ų | 57.8 | 70% | 0.704 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -104.5 | 128.7 | -178.4 | -59.3 | 97.6 | 0 | 0 | 0 | 111.3 | L221 | L221-H223 PolarHBondContact O-N 3.31Å; L221-H223 VanDerWaalsContact O-N 3.15Å |
| 224 | Q | 66.3 | Low | 85.7 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 43% | 0.425 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -92.2 | 159.8 | 175.4 | -75 | -132.3 | -59.7 | 0 | 0 | 111.7 | D157 W226 | D157-Q224 PolarHBondContact OD1-NE2 2.78Å; D157-Q224 PolarHBondContact OD1-OE1 3.35Å; Q224-W226 HydrophobicContact CG-CD2 4.27Å; Q224-W226 HydrophobicContact CG-CH2 4.45Å; Q224-W226 HydrophobicContact CG-CZ2 3.93Å; Q224-W226 VanDerWaalsContact NE2-CD2 3.34Å |
| 225 | P | 73.4 | Confident | 85.5 | Confident | 91 Ų | 91 | 58.1 Ų | 58.1 | 59% | 0.591 | 28% | 0.279 | S | S | * | . | S | Bend | cis | -83.3 | 147.3 | -1 | 33.3 | -35.2 | 0 | 0 | 0 | 113.1 | K227 | P225-K227 PolarHBondContact O-N 2.81Š|
| 226 | W | 76.1 | Confident | 85 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | trans | -81.7 | 115.6 | 179.4 | -55.3 | -46.9 | 0 | 0 | 0 | 111.1 | V152 L155 L161 L221 Q224 | V152-W226 HydrophobicContact CG2-CB 3.98Å; L155-W226 HydrophobicContact CB-CD2 4.15Å; L155-W226 HydrophobicContact CB-CE3 3.33Å; L155-W226 HydrophobicContact CB-CZ3 3.87Å; L155-W226 HydrophobicContact CD1-CD2 4.15Å; L155-W226 HydrophobicContact CD1-CE3 4.05Å; L155-W226 HydrophobicContact CD1-CG 4.41Å; L155-W226 HydrophobicContact CG-CE3 4.34Å; L161-W226 HydrophobicContact CB-CH2 4.1Å; L161-W226 HydrophobicContact CB-CZ2 3.88Å; L161-W226 HydrophobicContact CD2-CZ2 4.24Å; L221-W226 PolarHBondContact O-NE1 2.87Å; Q224-W226 HydrophobicContact CG-CD2 4.27Å; Q224-W226 HydrophobicContact CG-CH2 4.45Å; Q224-W226 HydrophobicContact CG-CZ2 3.93Å; Q224-W226 VanDerWaalsContact NE2-CD2 3.34Å | ||
| 227 | K | 82.9 | Confident | 84.4 | Confident | 149 Ų | 149 | 57 Ų | 57 | 65% | 0.648 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -118.8 | -63.7 | 172.9 | -66.3 | -173.9 | 177.7 | -176.2 | 0 | 110.9 | V152 S153 P225 | V152-K227 PolarHBondContact N-O 2.94Å; S153-K227 PolarHBondContact N-O 3.35Å; P225-K227 PolarHBondContact O-N 2.81Å |
| 228 | Q | 87.9 | Confident | 83.3 | Confident | 144 Ų | 144 | 58.3 Ų | 58.3 | 67% | 0.673 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 142 | 176.6 | -67.2 | -178.1 | -14.1 | 0 | 0 | 109.9 | F150 | F150-Q228 CarbonylContact O-C 3.55Å; F150-Q228 VanDerWaalsContact O-CA 3.27Å; F150-Q228 WeakPolarHBondContact O-CA 3.43Å |
| 229 | L | 90.4 | Very high | 82 | Confident | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.1 | 170.6 | -173 | 70.8 | 0 | 0 | 0 | 108.8 | F150 V152 L221 L231 L278 | F150-L229 HydrophobicContact CB-CB 4.39Å; F150-L229 PolarHBondContact N-O 2.85Å; F150-L229 PolarHBondContact O-N 2.88Å; V152-L229 HydrophobicContact CG1-CB 4.38Å; V152-L229 HydrophobicContact CG2-CB 4.48Å; L221-L229 HydrophobicContact CD1-CD2 4.11Å; L221-L229 HydrophobicContact CD2-CB 4.26Å; L221-L229 HydrophobicContact CD2-CD1 4.01Å; L221-L229 HydrophobicContact CD2-CD2 4.14Å; L221-L229 HydrophobicContact CD2-CG 4.36Å; L221-L229 HydrophobicContact CG-CD1 4.1Å; L221-L229 HydrophobicContact CG-CD2 3.92Å; L229-L231 HydrophobicContact CD1-CD2 4.11Å; L229-L231 HydrophobicContact CD2-CD1 3.86Å; L229-L231 HydrophobicContact CD2-CD2 4.15Å; L229-L231 HydrophobicContact CD2-CG 4.03Å; L229-L231 HydrophobicContact CG-CD1 4.38Å; L229-L231 HydrophobicContact CG-CD2 3.99Å; L229-L231 HydrophobicContact CG-CG 3.98Å; L229-L278 HydrophobicContact CB-CD2 4.49Å; L229-L278 HydrophobicContact CD2-CD1 3.96Å; L229-L278 HydrophobicContact CD2-CD2 3.7Å; L229-L278 HydrophobicContact CD2-CG 4.49Å |
| 230 | C | 91.2 | Very high | 80.6 | Confident | 35 Ų | 35 | 59.1 Ų | 59.1 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.3 | 173.3 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | Y148 L149 C191 | Y148-C230 WeakPolarHBondContact O-CA 3.44Å; L149-C230 HydrophobicContact CD2-CB 3.72Å; L149-C230 VanDerWaalsContact CD2-SG 3.51Å; C191-C230 HydrophobicContact CB-CB 3.56Å; C191-C230 WeakPolarHBondContact CB-SG 3.45Å; C191-C230 PolarHBondContact N-O 3.11Å; C191-C230 WeakPolarHBondContact SG-CB 3.16Å; C191-C230 PolarHBondContact SG-O 2.84Å; C191-C230 VanDerWaalsContact SG-O 3.35Å; C191-C230 CovalentContact SG-SG 2.03Å; C191-C230 PolarHBondContact SG-SG 3.02Å |
| 231 | L | 92.6 | Very high | 78.8 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136 | 179.2 | -56.7 | 176.8 | 0 | 0 | 0 | 109.9 | K147 Y148 F150 L166 L188 F189 C191 L197 V217 L229 | K147-L231 CarbonylContact C-O 3.54Å; K147-L231 WeakPolarHBondContact CA-O 3.36Å; Y148-L231 PolarHBondContact N-O 3.21Å; Y148-L231 PolarHBondContact O-N 3.07Å; F150-L231 HydrophobicContact CE2-CD1 4.36Å; L166-L231 HydrophobicContact CB-CD1 4.41Å; L166-L231 HydrophobicContact CD1-CD1 4.44Å; L166-L231 HydrophobicContact CD2-CD1 3.85Å; L166-L231 HydrophobicContact CG-CD1 4.46Å; L188-L231 HydrophobicContact CD1-CB 4.06Å; F189-L231 CarbonylContact O-C 3.58Å; F189-L231 WeakPolarHBondContact O-CA 3.37Å; C191-L231 PolarHBondContact SG-N 2.76Å; C191-L231 VanDerWaalsContact SG-N 3.42Å; L197-L231 HydrophobicContact CD1-CD2 3.66Å; V217-L231 HydrophobicContact CB-CD1 4.33Å; V217-L231 HydrophobicContact CG1-CD1 3.89Å; L229-L231 HydrophobicContact CD1-CD2 4.11Å; L229-L231 HydrophobicContact CD2-CD1 3.86Å; L229-L231 HydrophobicContact CD2-CD2 4.15Å; L229-L231 HydrophobicContact CD2-CG 4.03Å; L229-L231 HydrophobicContact CG-CD1 4.38Å; L229-L231 HydrophobicContact CG-CD2 3.99Å; L229-L231 HydrophobicContact CG-CG 3.98Å |
| 232 | E | 91.4 | Very high | 76.8 | Confident | 10 Ų | 10 | 69.3 Ų | 69.3 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 121.2 | 178.3 | -169.3 | 176.6 | 87.5 | 0 | 0 | 110.6 | R145 Q146 K147 F189 R234 | R145-E232 HydrophobicContact CB-CG 4.08Å; R145-E232 WeakPolarHBondContact CD-OE1 3.48Å; R145-E232 IonicContact NH1-OE1 2.9Å; Q146-E232 WeakPolarHBondContact O-CA 3.48Å; K147-E232 WeakPolarHBondContact CE-OE2 3.4Å; K147-E232 HydrophobicContact CG-CB 4.37Å; K147-E232 HydrophobicContact CG-CG 4.12Å; K147-E232 IonicContact NZ-OE2 3.7Å; F189-E232 PolarHBondContact N-O 2.88Å; F189-E232 PolarHBondContact O-N 2.83Å; E232-R234 IonicContact OE1-CZ 2.82Å; E232-R234 IonicContact OE1-NE 2.75Å; E232-R234 PolarHBondContact OE1-NE 2.89Å; E232-R234 IonicContact OE1-NH2 2.69Å; E232-R234 PolarHBondContact OE1-NH2 3.04Å |
| 233 | L | 91.8 | Very high | 75 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 135.9 | 174.4 | -162 | 75.6 | 0 | 0 | 0 | 109.8 | R145 Q146 Y148 L168 V186 L188 F215 L260 F265 | R145-L233 WeakPolarHBondContact CA-O 3.4Å; Q146-L233 PolarHBondContact N-O 3.28Å; Q146-L233 VanDerWaalsContact N-O 3.08Å; Q146-L233 PolarHBondContact O-N 3.18Å; Y148-L233 HydrophobicContact CD2-CB 4.47Å; Y148-L233 HydrophobicContact CE2-CB 3.89Å; Y148-L233 HydrophobicContact CE2-CD2 4.2Å; L168-L233 HydrophobicContact CD1-CD1 3.72Å; L168-L233 HydrophobicContact CD1-CD2 3.87Å; L168-L233 HydrophobicContact CD1-CG 4.38Å; V186-L233 HydrophobicContact CG1-CD1 3.43Å; V186-L233 VanDerWaalsContact CG1-CD1 3.43Å; V186-L233 HydrophobicContact CG1-CD2 4.06Å; V186-L233 HydrophobicContact CG1-CG 3.72Å; L188-L233 HydrophobicContact CD1-CD1 3.93Å; F215-L233 HydrophobicContact CZ-CD1 4.21Å; L233-L260 HydrophobicContact CD2-CD2 4.24Å; L233-L260 WeakPolarHBondContact O-CD1 3.37Å; L233-F265 HydrophobicContact CD2-CB 4.34Å; L233-F265 HydrophobicContact CD2-CD1 3.95Å; L233-F265 HydrophobicContact CD2-CD2 4.19Å; L233-F265 HydrophobicContact CD2-CE1 4.26Å; L233-F265 HydrophobicContact CD2-CE2 4.49Å; L233-F265 HydrophobicContact CD2-CG 3.91Å |
| 234 | R | 90.3 | Very high | 73.5 | Confident | 66 Ų | 66 | 74 Ų | 74 | 25% | 0.249 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 155.2 | 177.2 | -55 | -171.5 | -179.5 | 157.5 | 2 | 110.4 | R145 V186 Q187 F189 E232 | R145-R234 HydrophobicContact CG-CG 4.28Å; V186-R234 CarbonylContact C-O 3.55Å; V186-R234 WeakPolarHBondContact CA-O 3.19Å; Q187-R234 PolarHBondContact N-O 2.84Å; Q187-R234 PolarHBondContact O-N 3.47Å; F189-R234 HydrophobicContact CD2-CG 4.01Å; F189-R234 HydrophobicContact CE2-CB 4.25Å; F189-R234 HydrophobicContact CE2-CG 4.08Å; E232-R234 IonicContact OE1-CZ 2.82Å; E232-R234 IonicContact OE1-NE 2.75Å; E232-R234 PolarHBondContact OE1-NE 2.89Å; E232-R234 IonicContact OE1-NH2 2.69Å; E232-R234 PolarHBondContact OE1-NH2 3.04Å |
| 235 | A | 87.4 | Confident | 72 | Confident | 13 Ų | 13 | 73.2 Ų | 73.2 | 11% | 0.107 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | H185 P257 L260 L263 | H185-A235 WeakPolarHBondContact O-CA 3.45Å; A235-P257 HydrophobicContact CB-CB 4.46Å; A235-P257 WeakPolarHBondContact O-CB 3.04Å; A235-P257 WeakPolarHBondContact O-CG 3.27Å; A235-L260 HydrophobicContact CB-CD2 3.88Å; A235-L263 HydrophobicContact CB-CD1 3.97Å |
| 236 | A | 84.1 | Confident | 70.5 | Confident | 27 Ų | 27 | 76.9 Ų | 76.9 | 22% | 0.223 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 150.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L184 H185 | L184-A236 WeakPolarHBondContact CD1-O 3.39Å; H185-A236 PolarHBondContact N-O 2.95Å; H185-A236 PolarHBondContact O-N 3.39Å |
| 237 | W | 79.1 | Confident | 68.8 | Low | 30 Ų | 30 | 81.7 Ų | 81.7 | 11% | 0.114 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 137.9 | 172.1 | -64.1 | 111.7 | 0 | 0 | 0 | 109.8 | L184 P255 P258 | L184-W237 HydrophobicContact CB-CE3 3.99Å; L184-W237 HydrophobicContact CB-CH2 4.36Å; L184-W237 HydrophobicContact CB-CZ3 3.77Å; L184-W237 HydrophobicContact CD1-CD2 3.61Å; L184-W237 HydrophobicContact CD1-CE3 3.7Å; L184-W237 HydrophobicContact CD1-CG 4.2Å; L184-W237 HydrophobicContact CD1-CH2 4.12Å; L184-W237 HydrophobicContact CD1-CZ2 4.05Å; L184-W237 HydrophobicContact CD1-CZ3 3.95Å; L184-W237 HydrophobicContact CG-CE3 4.47Å; L184-W237 HydrophobicContact CG-CZ3 4.42Å; W237-P255 HydrophobicContact CZ2-CG 4.46Å; W237-P255 PolarHBondContact NE1-O 3.48Å; W237-P258 HydrophobicContact CZ2-CG 4.38Å |
| 238 | G | 69.9 | Low | 66.9 | Low | 26 Ų | 26 | 82.1 Ų | 82.1 | 27% | 0.268 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 86.8 | 178.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H185 | H185-G238 PolarHBondContact CD2-O 3.14Š|
| 239 | E | 61.6 | Low | 64.5 | Low | 146 Ų | 146 | 80 Ų | 80 | 68% | 0.682 | 44% | 0.438 | S | S | * | . | trans | -62 | 148.9 | -168.1 | -69.5 | -60.4 | 149.9 | 0 | 0 | 114.3 | D241 | E239-D241 PolarHBondContact O-N 2.94Š| ||
| 240 | P | 57.5 | Low | 62.4 | Low | 39 Ų | 39 | 91.2 Ų | 91.2 | 25% | 0.253 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -65.6 | -32 | -176.8 | -22.5 | 34.2 | 0 | 0 | 0 | 115.4 | L196 A242 | L196-P240 HydrophobicContact CD2-CB 4.13Å; P240-A242 VanDerWaalsContact C-N 3.35Å; P240-A242 PolarHBondContact O-N 2.65Å |
| 241 | D | 46 | Very low | 59.9 | Low | 166 Ų | 166 | 91.9 Ų | 91.9 | 89% | 0.888 | 49% | 0.492 | S | S | * | . | trans | -86.7 | 66 | -171.3 | -86.1 | -46.3 | 0 | 0 | 0 | 113.5 | E239 | E239-D241 PolarHBondContact O-N 2.94Š| ||
| 242 | A | 40.9 | Very low | 57.9 | Low | 79 Ų | 79 | 98.5 Ų | 98.5 | 65% | 0.653 | 54% | 0.535 | S | S | * | . | trans | -122.1 | 100.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | P240 | P240-A242 VanDerWaalsContact C-N 3.35Å; P240-A242 PolarHBondContact O-N 2.65Å | ||
| 243 | R | 41.1 | Very low | 56.2 | Low | 244 Ų | 244 | 106.7 Ų | 106.7 | 92% | 0.921 | 57% | 0.573 | S | S | * | * | trans | -53.5 | 145.3 | 170.2 | -67.6 | -179.9 | 177.8 | -179.2 | -1.4 | 110.3 | A245 | R243-A245 PolarHBondContact O-N 2.74Š| ||
| 244 | E | 40.8 | Very low | 54.6 | Low | 165 Ų | 165 | 113.2 Ų | 113.2 | 77% | 0.771 | 60% | 0.604 | S | S | * | * | trans | -29.3 | 87.7 | -175.3 | -64.6 | 176.1 | 146.3 | 0 | 0 | 115.2 | E246 | E244-E246 PolarHBondContact O-N 3.39Š| ||
| 245 | A | 35.5 | Very low | 53.5 | Low | 75 Ų | 75 | 112.2 Ų | 112.2 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | trans | -89.6 | 28.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R243 T247 | R243-A245 PolarHBondContact O-N 2.74Å; A245-T247 PolarHBondContact O-N 2.88Å | ||
| 246 | E | 41.4 | Very low | 52.7 | Low | 167 Ų | 167 | 116.1 Ų | 116.1 | 78% | 0.78 | 63% | 0.63 | S | S | * | * | trans | -71.9 | 73.4 | 168.8 | -71 | -161.7 | 172.2 | 0 | 0 | 109.9 | E244 | E244-E246 PolarHBondContact O-N 3.39Š| ||
| 247 | T | 40.1 | Very low | 52.2 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 76% | 0.761 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -171.7 | -32.2 | 148.3 | 19.8 | 0 | 0 | 0 | 0 | 113.6 | A245 | A245-T247 PolarHBondContact O-N 2.88Š|
| 248 | H | 44.1 | Very low | 52.1 | Low | 157 Ų | 157 | 116.5 Ų | 116.5 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -133.7 | 146.6 | -169.4 | -69.7 | 97.3 | 0 | 0 | 0 | 114.8 | ||
| 249 | A | 37.7 | Very low | 52.7 | Low | 101 Ų | 101 | 116.7 Ų | 116.7 | 84% | 0.835 | 63% | 0.629 | S | S | * | * | trans | 65.7 | 56.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | G251 | A249-G251 PolarHBondContact O-N 2.86Š| ||
| 250 | R | 46.3 | Very low | 53.9 | Low | 246 Ų | 246 | 109.8 Ų | 109.8 | 93% | 0.928 | 60% | 0.597 | S | S | * | * | trans | -63.9 | 103.2 | 155.3 | 177 | 178.3 | -72.8 | 173.5 | -0.5 | 109.3 | ||||
| 251 | G | 39.2 | Very low | 55.1 | Low | 49 Ų | 49 | 112.1 Ų | 112.1 | 51% | 0.505 | 60% | 0.6 | S | S | . | * | trans | -62.3 | 142.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A249 Q253 | A249-G251 PolarHBondContact O-N 2.86Å; G251-Q253 PolarHBondContact O-N 2.98Å | ||
| 252 | P | 50.1 | Low | 56.8 | Low | 138 Ų | 138 | 107.3 Ų | 107.3 | 90% | 0.896 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 6.2 | -164.8 | -21.6 | 34.9 | 0 | 0 | 0 | 118 | ||
| 253 | Q | 55.5 | Low | 58.8 | Low | 182 Ų | 182 | 103.5 Ų | 103.5 | 85% | 0.85 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.5 | -11.9 | -165 | -64.7 | -170.9 | 1.4 | 0 | 0 | 116.5 | G251 | G251-Q253 PolarHBondContact O-N 2.98Š|
| 254 | Q | 58 | Low | 60.9 | Low | 138 Ų | 138 | 92.2 Ų | 92.2 | 65% | 0.645 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -83.6 | 128.3 | 178 | -78.4 | -178.5 | -20.8 | 0 | 0 | 111.2 | ||
| 255 | P | 67.3 | Low | 63.1 | Low | 44 Ų | 44 | 84.5 Ų | 84.5 | 29% | 0.286 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 153.9 | 173.9 | 30 | -34.5 | 0 | 0 | 0 | 110.4 | P179 W237 | P179-P255 HydrophobicContact CG-CG 3.98Å; W237-P255 HydrophobicContact CZ2-CG 4.46Å; W237-P255 PolarHBondContact NE1-O 3.48Å |
| 256 | P | 71.3 | Confident | 65.3 | Low | 96 Ų | 96 | 81.4 Ų | 81.4 | 62% | 0.623 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 145.7 | 171 | 28.6 | -35.3 | 0 | 0 | 0 | 109.6 | ||
| 257 | P | 72.7 | Confident | 67 | Low | 39 Ų | 39 | 75.2 Ų | 75.2 | 25% | 0.253 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 150.9 | -178.4 | 8.5 | -19.7 | 0 | 0 | 0 | 113.2 | R144 A235 | R144-P257 VanDerWaalsContact NH1-CD 3.31Å; R144-P257 PolarHBondContact NH1-O 2.82Å; R144-P257 PolarHBondContact NH2-O 3.32Å; R144-P257 VanDerWaalsContact NH2-O 3.16Å; A235-P257 HydrophobicContact CB-CB 4.46Å; A235-P257 WeakPolarHBondContact O-CB 3.04Å; A235-P257 WeakPolarHBondContact O-CG 3.27Å |
| 258 | P | 76.9 | Confident | 68.4 | Low | 26 Ų | 26 | 76.3 Ų | 76.3 | 17% | 0.169 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 166.5 | 177.7 | 25.8 | -32.4 | 0 | 0 | 0 | 112.4 | L184 W237 L263 | L184-P258 HydrophobicContact CD1-CG 4.01Å; L184-P258 HydrophobicContact CD2-CG 3.64Å; W237-P258 HydrophobicContact CZ2-CG 4.38Å; P258-L263 HydrophobicContact CB-CD2 4.13Å; P258-L263 HydrophobicContact CB-CG 4.34Å; P258-L263 HydrophobicContact CG-CD1 4.09Å; P258-L263 HydrophobicContact CG-CD2 3.74Å; P258-L263 HydrophobicContact CG-CG 4.06Å |
| 259 | D | 83.3 | Confident | 69.4 | Low | 30 Ų | 30 | 75.9 Ų | 75.9 | 16% | 0.16 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 132.5 | 173.7 | -172.3 | -46 | 0 | 0 | 0 | 109.2 | P142 L143 R261 S262 L263 | P142-D259 WeakPolarHBondContact CA-OD2 3.08Å; P142-D259 HydrophobicContact CB-CB 4.03Å; P142-D259 VanDerWaalsContact CB-OD2 3.32Å; P142-D259 WeakPolarHBondContact CB-OD2 3.46Å; L143-D259 WeakPolarHBondContact CB-OD1 3.14Å; L143-D259 VanDerWaalsContact N-CG 3.32Å; L143-D259 PolarHBondContact N-OD2 2.77Å; D259-R261 PolarHBondContact O-N 3.24Å; D259-R261 VanDerWaalsContact O-N 3.09Å; D259-R261 WeakPolarHBondContact OD1-CA 3.23Å; D259-R261 WeakPolarHBondContact OD1-CB 3.48Å; D259-R261 VanDerWaalsContact OD1-CG 3.29Å; D259-R261 WeakPolarHBondContact OD1-CG 3.36Å; D259-R261 PolarHBondContact OD1-N 2.7Å; D259-S262 PolarHBondContact N-OG 2.73Å; D259-S262 WeakPolarHBondContact O-CA 3.44Å; D259-S262 PolarHBondContact O-N 3.4Å; D259-S262 PolarHBondContact O-OG 2.98Å; D259-L263 PolarHBondContact O-N 3.13Å; D259-L263 VanDerWaalsContact O-N 3.07Å |
| 260 | L | 85.4 | Confident | 71.1 | Confident | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -27.8 | 178.4 | -68.1 | 171.4 | 0 | 0 | 0 | 112.2 | L143 Q146 L233 A235 L263 G264 F265 | L143-L260 WeakPolarHBondContact O-CG 3.46Å; L143-L260 PolarHBondContact O-N 3.11Å; L143-L260 VanDerWaalsContact O-N 3.12Å; Q146-L260 HydrophobicContact CB-CD1 3.64Å; L233-L260 HydrophobicContact CD2-CD2 4.24Å; L233-L260 WeakPolarHBondContact O-CD1 3.37Å; A235-L260 HydrophobicContact CB-CD2 3.88Å; L260-L263 HydrophobicContact CD2-CD1 4.26Å; L260-L263 PolarHBondContact O-N 2.89Å; L260-G264 PolarHBondContact O-N 2.67Å; L260-F265 HydrophobicContact CB-CB 4.48Å; L260-F265 HydrophobicContact CD2-CD2 4.42Å; L260-F265 WeakPolarHBondContact O-CB 3.32Å; L260-F265 PolarHBondContact O-N 2.9Å |
| 261 | R | 84 | Confident | 72.8 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -33.3 | 175.8 | -53.4 | 172.6 | 63.3 | -140.9 | -14.2 | 112 | L143 D259 L263 G264 | L143-R261 HydrophobicContact CB-CG 3.96Å; L143-R261 HydrophobicContact CD2-CG 3.64Å; L143-R261 HydrophobicContact CG-CG 4.45Å; D259-R261 PolarHBondContact O-N 3.24Å; D259-R261 VanDerWaalsContact O-N 3.09Å; D259-R261 WeakPolarHBondContact OD1-CA 3.23Å; D259-R261 WeakPolarHBondContact OD1-CB 3.48Å; D259-R261 VanDerWaalsContact OD1-CG 3.29Å; D259-R261 WeakPolarHBondContact OD1-CG 3.36Å; D259-R261 PolarHBondContact OD1-N 2.7Å; R261-L263 VanDerWaalsContact C-N 3.3Å; R261-G264 PolarHBondContact O-N 3.05Å |
| 262 | S | 80.6 | Confident | 74.7 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -28.5 | 170.6 | 60.8 | 0 | 0 | 0 | 0 | 112 | W177 D259 G264 | W177-S262 WeakPolarHBondContact CZ3-O 3.47Å; D259-S262 PolarHBondContact N-OG 2.73Å; D259-S262 WeakPolarHBondContact O-CA 3.44Å; D259-S262 PolarHBondContact O-N 3.4Å; D259-S262 PolarHBondContact O-OG 2.98Å; S262-G264 PolarHBondContact O-N 3.34Å |
| 263 | L | 83.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 2.6 | 171.9 | -60.3 | -179.6 | 0 | 0 | 0 | 114.5 | R170 W177 L184 V186 A235 P258 D259 L260 R261 F265 | R170-L263 VanDerWaalsContact CD-O 3.26Å; R170-L263 WeakPolarHBondContact CD-O 3.23Å; R170-L263 WeakPolarHBondContact CG-O 3.36Å; W177-L263 HydrophobicContact CB-CD2 4.45Å; W177-L263 HydrophobicContact CD2-CD2 3.63Å; W177-L263 HydrophobicContact CE3-CD2 4.09Å; W177-L263 HydrophobicContact CG-CD2 3.79Å; W177-L263 VanDerWaalsContact CH2-O 3.26Å; W177-L263 WeakPolarHBondContact CH2-O 3.49Å; W177-L263 HydrophobicContact CZ2-CD2 4.29Å; W177-L263 VanDerWaalsContact CZ3-C 3.48Å; W177-L263 VanDerWaalsContact CZ3-CA 3.4Å; L184-L263 HydrophobicContact CD2-CD1 3.64Å; L184-L263 HydrophobicContact CD2-CD2 3.59Å; L184-L263 HydrophobicContact CD2-CG 4.25Å; V186-L263 HydrophobicContact CG2-CD1 4.43Å; A235-L263 HydrophobicContact CB-CD1 3.97Å; P258-L263 HydrophobicContact CB-CD2 4.13Å; P258-L263 HydrophobicContact CB-CG 4.34Å; P258-L263 HydrophobicContact CG-CD1 4.09Å; P258-L263 HydrophobicContact CG-CD2 3.74Å; P258-L263 HydrophobicContact CG-CG 4.06Å; D259-L263 PolarHBondContact O-N 3.13Å; D259-L263 VanDerWaalsContact O-N 3.07Å; L260-L263 HydrophobicContact CD2-CD1 4.26Å; L260-L263 PolarHBondContact O-N 2.89Å; R261-L263 VanDerWaalsContact C-N 3.3Å; L263-F265 HydrophobicContact CB-CD2 3.8Å; L263-F265 HydrophobicContact CB-CE2 3.99Å; L263-F265 HydrophobicContact CD1-CE2 4.44Å |
| 264 | G | 85.3 | Confident | 77.8 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 7% | 0.072 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | 8.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q171 L260 R261 S262 R270 | Q171-G264 PolarHBondContact N-O 3.24Å; L260-G264 PolarHBondContact O-N 2.67Å; R261-G264 PolarHBondContact O-N 3.05Å; S262-G264 PolarHBondContact O-N 3.34Å; G264-R270 PolarHBondContact O-NH2 3.46Å |
| 265 | F | 87.1 | Confident | 79.3 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | trans | -90.1 | 1.4 | 176.3 | -60.8 | -77 | 0 | 0 | 0 | 114.5 | Q146 L168 R170 V186 L202 E213 L233 L260 L263 | Q146-F265 PolarHBondContact NE2-O 3.37Å; Q146-F265 PolarHBondContact OE1-O 2.92Å; L168-F265 HydrophobicContact CB-CD1 4.43Å; L168-F265 HydrophobicContact CB-CE1 4.3Å; L168-F265 HydrophobicContact CD1-CE1 4.49Å; R170-F265 HydrophobicContact CB-CD1 4.3Å; R170-F265 HydrophobicContact CB-CE1 3.87Å; R170-F265 HydrophobicContact CB-CZ 4.18Å; R170-F265 HydrophobicContact CG-CD1 4.4Å; R170-F265 HydrophobicContact CG-CE1 4.04Å; R170-F265 HydrophobicContact CG-CE2 4.17Å; R170-F265 HydrophobicContact CG-CZ 3.93Å; V186-F265 HydrophobicContact CG1-CE2 4.39Å; V186-F265 HydrophobicContact CG1-CZ 4.23Å; V186-F265 HydrophobicContact CG2-CE2 3.96Å; V186-F265 HydrophobicContact CG2-CZ 4.26Å; L202-F265 HydrophobicContact CD1-CE2 4.15Å; L202-F265 HydrophobicContact CD1-CZ 4.43Å; E213-F265 HydrophobicContact CG-CE1 4.12Å; E213-F265 HydrophobicContact CG-CZ 4.22Å; L233-F265 HydrophobicContact CD2-CB 4.34Å; L233-F265 HydrophobicContact CD2-CD1 3.95Å; L233-F265 HydrophobicContact CD2-CD2 4.19Å; L233-F265 HydrophobicContact CD2-CE1 4.26Å; L233-F265 HydrophobicContact CD2-CE2 4.49Å; L233-F265 HydrophobicContact CD2-CG 3.91Å; L260-F265 HydrophobicContact CB-CB 4.48Å; L260-F265 HydrophobicContact CD2-CD2 4.42Å; L260-F265 WeakPolarHBondContact O-CB 3.32Å; L260-F265 PolarHBondContact O-N 2.9Å; L263-F265 HydrophobicContact CB-CD2 3.8Å; L263-F265 HydrophobicContact CB-CE2 3.99Å; L263-F265 HydrophobicContact CD1-CE2 4.44Å | ||
| 266 | G | 81.9 | Confident | 80.5 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | trans | -62.4 | 143.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | R270 | G266-R270 PolarHBondContact O-NE 3.38Å; G266-R270 PolarHBondContact O-NH2 2.97Å | ||
| 267 | R | 78.1 | Confident | 81.6 | Confident | 36 Ų | 36 | 47 Ų | 47 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | trans | -90.8 | -9 | -172.4 | -60.7 | 174.7 | -169.1 | -153.7 | -3 | 114.8 | D132 G134 D136 K147 V269 R270 | D132-R267 IonicContact OD1-NH1 2.67Å; D132-R267 PolarHBondContact OD1-NH1 2.81Å; D132-R267 IonicContact OD2-CZ 3.96Å; D132-R267 IonicContact OD2-NE 3.55Å; D132-R267 IonicContact OD2-NH1 3.28Å; D132-R267 PolarHBondContact OD2-NH1 3.35Å; D132-R267 IonicContact OD2-NH2 2.74Å; G134-R267 VanDerWaalsContact CA-NH1 3.3Å; G134-R267 PolarHBondContact O-NH1 3.04Å; D136-R267 WeakPolarHBondContact OD1-CD 3.46Å; D136-R267 VanDerWaalsContact OD1-CG 3.31Å; D136-R267 WeakPolarHBondContact OD1-CG 3.26Å; D136-R267 IonicContact OD1-NE 3.92Å; D136-R267 PolarHBondContact OD1-NE 3.38Å; D136-R267 WeakPolarHBondContact OD2-CB 3.37Å; D136-R267 PolarHBondContact OD2-N 3.07Å; K147-R267 VanDerWaalsContact C-NH2 3.31Å; K147-R267 PolarHBondContact O-NH1 3.25Å; K147-R267 PolarHBondContact O-NH2 3.37Å; R267-V269 PolarHBondContact O-N 3.44Å; R267-R270 PolarHBondContact O-N 3.05Å | ||
| 268 | R | 69.2 | Low | 82.7 | Confident | 148 Ų | 148 | 45.1 Ų | 45.1 | 56% | 0.558 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 136.3 | -175.9 | -64 | -167.7 | -179.6 | -169.9 | -0.4 | 111.2 | R270 | R268-R270 PolarHBondContact O-N 3.1Š|
| 269 | V | 63.9 | Low | 83.6 | Confident | 148 Ų | 148 | 43.9 Ų | 43.9 | 90% | 0.897 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61 | 17.4 | 174.7 | -149.8 | 0 | 0 | 0 | 0 | 115.1 | R267 | R267-V269 PolarHBondContact O-N 3.44Š|
| 270 | R | 74 | Confident | 84.1 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | trans | -72.3 | 126.8 | 176.4 | -71.2 | -177.6 | -179.6 | -127.1 | -4.8 | 112.3 | F169 G264 G266 R267 R268 E274 | F169-R270 VanDerWaalsContact O-CZ 3.24Å; F169-R270 PolarHBondContact O-NH1 3.46Å; F169-R270 PolarHBondContact O-NH2 3.17Å; G264-R270 PolarHBondContact O-NH2 3.46Å; G266-R270 PolarHBondContact O-NE 3.38Å; G266-R270 PolarHBondContact O-NH2 2.97Å; R267-R270 PolarHBondContact O-N 3.05Å; R268-R270 PolarHBondContact O-N 3.1Å; R270-E274 HydrophobicContact CB-CB 4.07Å; R270-E274 WeakPolarHBondContact CD-O 3.45Å; R270-E274 HydrophobicContact CG-CB 4.16Å; R270-E274 PolarHBondContact NH1-O 2.92Å | ||
| 271 | P | 81 | Confident | 84.4 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 34% | 0.344 | 21% | 0.214 | S | C | . | . | trans | -63.5 | 164.6 | 165.9 | 29.5 | -36.4 | 0 | 0 | 0 | 110.8 | Q273 E274 | P271-Q273 PolarHBondContact O-N 3.22Å; P271-Q273 VanDerWaalsContact O-N 3.09Å; P271-E274 WeakPolarHBondContact CD-OE1 3.1Å; P271-E274 HydrophobicContact CG-CB 4.04Å; P271-E274 HydrophobicContact CG-CG 3.8Å; P271-E274 WeakPolarHBondContact CG-OE1 3.35Å; P271-E274 PolarHBondContact O-N 2.85Å | ||
| 272 | P | 80.3 | Confident | 84.7 | Confident | 68 Ų | 68 | 38.4 Ų | 38.4 | 44% | 0.442 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -52.6 | -32.5 | 175.3 | -27.5 | 36 | 0 | 0 | 0 | 113.8 | E274 R275 | P272-E274 VanDerWaalsContact C-N 3.29Å; P272-E274 PolarHBondContact O-N 2.8Å; P272-R275 PolarHBondContact O-N 2.84Å |
| 273 | Q | 83 | Confident | 85.1 | Confident | 61 Ų | 61 | 39.7 Ų | 39.7 | 29% | 0.285 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -73.7 | -4.4 | 177.9 | -63.5 | -69 | -5.5 | 0 | 0 | 115.3 | P94 H95 W212 P271 | P94-Q273 PolarHBondContact O-NE2 3.34Å; H95-Q273 VanDerWaalsContact CA-OE1 3.3Å; H95-Q273 PolarHBondContact NE2-O 3.36Å; W212-Q273 WeakPolarHBondContact CZ2-O 3.32Å; P271-Q273 PolarHBondContact O-N 3.22Å; P271-Q273 VanDerWaalsContact O-N 3.09Å |
| 274 | E | 86.8 | Confident | 84.9 | Confident | 47 Ų | 47 | 39.9 Ų | 39.9 | 22% | 0.22 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -117.4 | 3.5 | 176.1 | -74.8 | 179 | -136.7 | 0 | 0 | 112.7 | F169 Q171 R270 P271 P272 | F169-E274 HydrophobicContact CD1-CB 3.89Å; F169-E274 HydrophobicContact CD1-CG 3.59Å; F169-E274 WeakPolarHBondContact CD1-OE2 3.35Å; F169-E274 HydrophobicContact CE1-CB 4.42Å; F169-E274 VanDerWaalsContact CE1-CD 3.42Å; F169-E274 HydrophobicContact CE1-CG 3.65Å; F169-E274 WeakPolarHBondContact CE1-OE2 3.36Å; F169-E274 HydrophobicContact CG-CB 4.41Å; F169-E274 HydrophobicContact CG-CG 4.21Å; F169-E274 HydrophobicContact CZ-CG 4.32Å; Q171-E274 PolarHBondContact NE2-OE2 2.83Å; R270-E274 HydrophobicContact CB-CB 4.07Å; R270-E274 WeakPolarHBondContact CD-O 3.45Å; R270-E274 HydrophobicContact CG-CB 4.16Å; R270-E274 PolarHBondContact NH1-O 2.92Å; P271-E274 WeakPolarHBondContact CD-OE1 3.1Å; P271-E274 HydrophobicContact CG-CB 4.04Å; P271-E274 HydrophobicContact CG-CG 3.8Å; P271-E274 WeakPolarHBondContact CG-OE1 3.35Å; P271-E274 PolarHBondContact O-N 2.85Å; P272-E274 VanDerWaalsContact C-N 3.29Å; P272-E274 PolarHBondContact O-N 2.8Å |
| 275 | R | 89.3 | Confident | 84.4 | Confident | 121 Ų | 121 | 46.4 Ų | 46.4 | 46% | 0.457 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -69.4 | 151.7 | 177 | -66.4 | -174.8 | 178.6 | -163.3 | 0.3 | 110.1 | V131 W212 P272 L277 | V131-R275 HydrophobicContact CG1-CB 3.82Å; V131-R275 HydrophobicContact CG1-CG 4.41Å; W212-R275 WeakPolarHBondContact CH2-O 3.18Å; P272-R275 PolarHBondContact O-N 2.84Å; R275-L277 PolarHBondContact O-N 2.81Å |
| 276 | A | 92.6 | Very high | 83.3 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | trans | -61.9 | 132.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | D132 Y148 F150 R167 L168 | D132-A276 HydrophobicContact CB-CB 3.78Å; D132-A276 WeakPolarHBondContact CB-O 3.3Å; D132-A276 PolarHBondContact N-O 3.33Å; Y148-A276 HydrophobicContact CD1-CB 3.39Å; Y148-A276 HydrophobicContact CE1-CB 3.5Å; F150-A276 HydrophobicContact CZ-CB 4.32Å; R167-A276 WeakPolarHBondContact O-CA 3.42Å; L168-A276 HydrophobicContact CD2-CB 3.41Å; L168-A276 VanDerWaalsContact CD2-CB 3.41Å | ||
| 277 | L | 94.7 | Very high | 82.5 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.8 | -174.2 | -166.3 | 78.9 | 0 | 0 | 0 | 109.2 | H95 Y97 V131 R167 R275 V279 | H95-L277 HydrophobicContact CB-CD1 4.27Å; H95-L277 HydrophobicContact CB-CD2 3.99Å; Y97-L277 HydrophobicContact CD1-CD2 4.25Å; V131-L277 HydrophobicContact CG2-CD1 3.91Å; R167-L277 HydrophobicContact CB-CB 4.47Å; R167-L277 PolarHBondContact N-O 2.93Å; R167-L277 PolarHBondContact O-N 2.84Å; R275-L277 PolarHBondContact O-N 2.81Å; L277-V279 HydrophobicContact CD2-CG2 3.54Å; L277-V279 HydrophobicContact CG-CG2 3.87Å |
| 278 | L | 95.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123.3 | 167.2 | 171.1 | 70.8 | 0 | 0 | 0 | 107.7 | S129 F130 F150 V152 V217 L221 L229 V280 | S129-L278 CarbonylContact C-O 3.54Å; S129-L278 WeakPolarHBondContact CA-O 3.45Å; F130-L278 HydrophobicContact CB-CB 4.28Å; F130-L278 HydrophobicContact CB-CD2 4.37Å; F130-L278 HydrophobicContact CD2-CD2 4.08Å; F130-L278 HydrophobicContact CD2-CG 4.33Å; F130-L278 PolarHBondContact N-O 2.78Å; F130-L278 PolarHBondContact O-N 2.87Å; F150-L278 HydrophobicContact CB-CB 4.5Å; F150-L278 HydrophobicContact CB-CD2 3.68Å; F150-L278 HydrophobicContact CD1-CB 3.49Å; F150-L278 VanDerWaalsContact CD1-CB 3.49Å; F150-L278 HydrophobicContact CD1-CD2 4.26Å; F150-L278 HydrophobicContact CD2-CB 4.04Å; F150-L278 HydrophobicContact CD2-CD2 4.04Å; F150-L278 HydrophobicContact CE1-CB 3.57Å; F150-L278 HydrophobicContact CE2-CB 4.12Å; F150-L278 HydrophobicContact CG-CB 3.74Å; F150-L278 HydrophobicContact CG-CD2 3.72Å; F150-L278 HydrophobicContact CG-CG 4.38Å; F150-L278 HydrophobicContact CZ-CB 3.9Å; V152-L278 HydrophobicContact CG1-CD2 3.69Å; V217-L278 HydrophobicContact CG2-CD1 3.52Å; L221-L278 HydrophobicContact CD1-CD1 4.39Å; L221-L278 HydrophobicContact CD1-CD2 4.44Å; L229-L278 HydrophobicContact CB-CD2 4.49Å; L229-L278 HydrophobicContact CD2-CD1 3.96Å; L229-L278 HydrophobicContact CD2-CD2 3.7Å; L229-L278 HydrophobicContact CD2-CG 4.49Å; L278-V280 HydrophobicContact CD1-CG2 4.33Å; L278-V280 HydrophobicContact CD2-CG2 4.13Å; L278-V280 HydrophobicContact CG-CG2 3.91Å |
| 279 | V | 95.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.6 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | Y97 M98 I127 A164 E165 L277 F281 | Y97-V279 HydrophobicContact CD1-CG2 3.97Å; Y97-V279 HydrophobicContact CE1-CB 4.38Å; Y97-V279 HydrophobicContact CE1-CG1 4.21Å; Y97-V279 HydrophobicContact CE1-CG2 3.88Å; M98-V279 HydrophobicContact SD-CG1 4.25Å; I127-V279 HydrophobicContact CG2-CG1 3.44Å; I127-V279 VanDerWaalsContact CG2-CG1 3.44Å; A164-V279 CarbonylContact C-O 3.58Å; A164-V279 VanDerWaalsContact CA-O 3.29Å; A164-V279 WeakPolarHBondContact CA-O 3.39Å; E165-V279 PolarHBondContact N-O 2.85Å; E165-V279 PolarHBondContact O-N 2.88Å; L277-V279 HydrophobicContact CD2-CG2 3.54Å; L277-V279 HydrophobicContact CG-CG2 3.87Å; V279-F281 HydrophobicContact CB-CE2 4.44Å; V279-F281 HydrophobicContact CG1-CE2 3.97Å; V279-F281 HydrophobicContact CG1-CZ 4.01Å |
| 280 | V | 94 | Very high | 82.6 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.6 | -175.4 | -173.6 | 0 | 0 | 0 | 0 | 109 | I127 T128 F130 L155 L161 A164 L221 L278 T282 | I127-V280 WeakPolarHBondContact CA-O 3.42Å; T128-V280 PolarHBondContact N-O 2.87Å; T128-V280 PolarHBondContact O-N 3.26Å; F130-V280 HydrophobicContact CD2-CG2 3.88Å; F130-V280 HydrophobicContact CE2-CB 4.08Å; F130-V280 HydrophobicContact CE2-CG2 3.65Å; L155-V280 HydrophobicContact CD1-CB 4.47Å; L155-V280 HydrophobicContact CD1-CG1 3.95Å; L155-V280 HydrophobicContact CD1-CG2 4.35Å; L155-V280 HydrophobicContact CD2-CB 4.37Å; L155-V280 HydrophobicContact CD2-CG1 4.15Å; L161-V280 HydrophobicContact CD1-CG1 3.4Å; A164-V280 HydrophobicContact CB-CG2 4.31Å; L221-V280 HydrophobicContact CD1-CG1 4.42Å; L221-V280 HydrophobicContact CD1-CG2 3.79Å; L278-V280 HydrophobicContact CD1-CG2 4.33Å; L278-V280 HydrophobicContact CD2-CG2 4.13Å; L278-V280 HydrophobicContact CG-CG2 3.91Å; V280-T282 HydrophobicContact CG1-CG2 4.06Å |
| 281 | F | 92.3 | Very high | 82.4 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.1 | -179.5 | -58.9 | -100 | 0 | 0 | 0 | 108.2 | A124 I127 V162 G163 E165 V279 | A124-F281 HydrophobicContact CB-CB 3.85Å; I127-F281 HydrophobicContact CB-CD1 4.46Å; I127-F281 HydrophobicContact CD1-CD1 3.71Å; I127-F281 HydrophobicContact CD1-CE1 3.81Å; I127-F281 HydrophobicContact CG1-CD1 3.72Å; I127-F281 HydrophobicContact CG1-CE1 4.23Å; I127-F281 HydrophobicContact CG2-CD1 3.97Å; I127-F281 HydrophobicContact CG2-CE1 4.01Å; I127-F281 HydrophobicContact CG2-CG 4.45Å; V162-F281 HydrophobicContact CB-CB 4.33Å; V162-F281 WeakPolarHBondContact CB-O 3.4Å; V162-F281 PolarHBondContact N-O 3.32Å; G163-F281 PolarHBondContact N-O 2.84Å; G163-F281 PolarHBondContact O-N 2.94Å; E165-F281 HydrophobicContact CB-CE2 4.33Å; E165-F281 HydrophobicContact CG-CE2 3.92Å; V279-F281 HydrophobicContact CB-CE2 4.44Å; V279-F281 HydrophobicContact CG1-CE2 3.97Å; V279-F281 HydrophobicContact CG1-CZ 4.01Å |
| 282 | T | 90.6 | Very high | 82 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 154.8 | 178.4 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | A124 N125 T126 L155 E159 E160 V280 | A124-T282 WeakPolarHBondContact CA-O 3.28Å; A124-T282 WeakPolarHBondContact CB-O 3.43Å; N125-T282 PolarHBondContact N-O 3.44Å; N125-T282 VanDerWaalsContact N-O 3.15Å; N125-T282 PolarHBondContact OD1-O 3.21Å; T126-T282 WeakPolarHBondContact CB-OG1 3.31Å; T126-T282 PolarHBondContact N-O 3.42Å; T126-T282 VanDerWaalsContact N-O 3.14Å; T126-T282 PolarHBondContact O-N 2.88Å; T126-T282 VanDerWaalsContact O-O 3.06Å; L155-T282 HydrophobicContact CD2-CG2 4.3Å; E159-T282 HydrophobicContact CB-CG2 4.47Å; E159-T282 PolarHBondContact OE2-OG1 2.67Å; E160-T282 CarbonylContact O-C 3.48Å; E160-T282 VanDerWaalsContact O-CA 3.27Å; E160-T282 WeakPolarHBondContact O-CA 3.36Å; V280-T282 HydrophobicContact CG1-CG2 4.06Å |
| 283 | R | 88.4 | Confident | 81.5 | Confident | 92 Ų | 92 | 51.1 Ų | 51.1 | 35% | 0.347 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 97.6 | 168.4 | 179.5 | 164.8 | 69.1 | -173.3 | 7.5 | 108 | S123 E160 V162 | S123-R283 PolarHBondContact OG-NH1 2.71Å; E160-R283 HydrophobicContact CB-CB 4.27Å; E160-R283 PolarHBondContact N-O 3Å; E160-R283 PolarHBondContact O-N 2.8Å; E160-R283 IonicContact OE1-CZ 3.89Å; E160-R283 IonicContact OE1-NE 3.87Å; E160-R283 IonicContact OE1-NH2 3.2Å; E160-R283 PolarHBondContact OE1-NH2 2.91Å; E160-R283 IonicContact OE2-CZ 2.68Å; E160-R283 IonicContact OE2-NE 2.8Å; E160-R283 PolarHBondContact OE2-NE 3.47Å; E160-R283 IonicContact OE2-NH2 2.73Å; E160-R283 PolarHBondContact OE2-NH2 2.83Å; V162-R283 HydrophobicContact CG2-CB 3.79Å |
| 284 | S | 79.6 | Confident | 81 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 3% | 0.028 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 137.7 | 169.7 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | N125 | N125-S284 PolarHBondContact ND2-O 3.34Å; N125-S284 PolarHBondContact OD1-N 3.24Å |
| 285 | Q | 74.6 | Confident | 80.1 | Confident | 144 Ų | 144 | 61.8 Ų | 61.8 | 67% | 0.673 | 28% | 0.275 | S | S | * | . | trans | -61.6 | 162.1 | 160 | -68.1 | -63.1 | -17.4 | 0 | 0 | 110.3 | K287 | Q285-K287 PolarHBondContact O-N 3.45Š| ||
| 286 | R | 63.8 | Low | 78.9 | Confident | 180 Ų | 180 | 57.9 Ų | 57.9 | 68% | 0.679 | 26% | 0.262 | S | S | * | . | trans | -56.9 | 104.2 | -178 | -68.1 | -177.7 | 175 | -147.8 | -7.9 | 111 | D446 | R286-D446 IonicContact CZ-OD2 4Å; R286-D446 IonicContact NH1-OD2 2.72Å; R286-D446 PolarHBondContact NH1-OD2 3.37Å | ||
| 287 | K | 66.1 | Low | 77.3 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 27% | 0.27 | 28% | 0.281 | S | S | . | . | trans | -107.8 | 136.5 | 168.4 | -64.6 | 172 | -176.8 | 175 | 0 | 108 | E159 Q285 E292 | E159-K287 IonicContact OE1-NZ 2.78Å; E159-K287 PolarHBondContact OE1-NZ 3.46Å; Q285-K287 PolarHBondContact O-N 3.45Å; K287-E292 HydrophobicContact CB-CG 4.14Å; K287-E292 HydrophobicContact CD-CG 3.96Å; K287-E292 WeakPolarHBondContact CD-OE1 3.42Å; K287-E292 IonicContact NZ-OE1 3.7Å; K287-E292 PolarHBondContact NZ-OE1 3.47Å | ||
| 288 | N | 69.9 | Low | 75.3 | Confident | 121 Ų | 121 | 63.7 Ų | 63.7 | 65% | 0.647 | 30% | 0.301 | S | S | * | . | trans | -73.5 | 137.3 | 177 | -59.2 | -9.1 | 0 | 0 | 0 | 109.5 | F290 A291 E292 | N288-F290 PolarHBondContact O-N 3.36Å; N288-F290 VanDerWaalsContact O-N 3.15Å; N288-A291 WeakPolarHBondContact O-CB 3.43Å; N288-A291 PolarHBondContact O-N 2.92Å; N288-E292 PolarHBondContact O-N 3.09Å | ||
| 289 | L | 74.1 | Confident | 73 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 5% | 0.047 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -47.7 | -45.1 | 176.5 | 177.5 | 64.2 | 0 | 0 | 0 | 112.1 | A291 E292 M293 W368 I430 Y444 M447 | L289-A291 VanDerWaalsContact C-N 3.27Å; L289-A291 PolarHBondContact O-N 3.04Å; L289-E292 PolarHBondContact O-N 3.16Å; L289-M293 VanDerWaalsContact O-CB 3.22Å; L289-M293 WeakPolarHBondContact O-CB 3.22Å; L289-M293 PolarHBondContact O-N 2.74Å; L289-W368 HydrophobicContact CD2-CZ3 4.35Å; L289-I430 HydrophobicContact CD1-CD1 4.33Å; L289-I430 HydrophobicContact CD2-CD1 4.18Å; L289-Y444 HydrophobicContact CB-CD1 4.03Å; L289-Y444 HydrophobicContact CB-CE1 4Å; L289-Y444 HydrophobicContact CD1-CD1 4.48Å; L289-Y444 HydrophobicContact CD1-CD2 4.35Å; L289-Y444 HydrophobicContact CD1-CE1 3.96Å; L289-Y444 HydrophobicContact CD1-CE2 3.79Å; L289-M447 HydrophobicContact CD2-CE 3.72Å |
| 290 | F | 68.6 | Low | 70.5 | Confident | 137 Ų | 137 | 70.2 Ų | 70.2 | 60% | 0.601 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.1 | -26.2 | 177.7 | -69.1 | -81.3 | 0 | 0 | 0 | 115.2 | N288 M293 R294 W368 | N288-F290 PolarHBondContact O-N 3.36Å; N288-F290 VanDerWaalsContact O-N 3.15Å; F290-M293 HydrophobicContact CD1-CE 3.76Å; F290-M293 HydrophobicContact CE1-CE 4.26Å; F290-R294 WeakPolarHBondContact O-CB 3.43Å; F290-R294 PolarHBondContact O-N 3.15Å; F290-R294 VanDerWaalsContact O-N 3.15Å; F290-W368 AromaticContact CE1-CH2 3.89Å; F290-W368 HydrophobicContact CE1-CH2 3.89Å; F290-W368 HydrophobicContact CE1-CZ2 4.45Å; F290-W368 HydrophobicContact CZ-CH2 4.33Å |
| 291 | A | 69.2 | Low | 67.8 | Low | 50 Ų | 50 | 78.2 Ų | 78.2 | 41% | 0.413 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -75.6 | -49.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N288 L289 M293 R294 E295 | N288-A291 WeakPolarHBondContact O-CB 3.43Å; N288-A291 PolarHBondContact O-N 2.92Å; L289-A291 VanDerWaalsContact C-N 3.27Å; L289-A291 PolarHBondContact O-N 3.04Å; A291-M293 VanDerWaalsContact C-N 3.33Å; A291-M293 PolarHBondContact O-N 3.09Å; A291-R294 WeakPolarHBondContact O-CB 3.22Å; A291-R294 PolarHBondContact O-N 2.9Å; A291-R294 VanDerWaalsContact O-N 3.16Å; A291-E295 PolarHBondContact O-N 3.35Å |
| 292 | E | 73.2 | Confident | 64.9 | Low | 16 Ų | 16 | 82.2 Ų | 82.2 | 8% | 0.075 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65 | -39.6 | 177.2 | -56.7 | -168 | 120.7 | 0 | 0 | 110.7 | K287 N288 L289 R294 E295 Q296 K442 Y444 | K287-E292 HydrophobicContact CB-CG 4.14Å; K287-E292 HydrophobicContact CD-CG 3.96Å; K287-E292 WeakPolarHBondContact CD-OE1 3.42Å; K287-E292 IonicContact NZ-OE1 3.7Å; K287-E292 PolarHBondContact NZ-OE1 3.47Å; N288-E292 PolarHBondContact O-N 3.09Å; L289-E292 PolarHBondContact O-N 3.16Å; E292-R294 VanDerWaalsContact C-N 3.3Å; E292-R294 PolarHBondContact O-N 3.15Å; E292-E295 WeakPolarHBondContact O-CB 3.49Å; E292-E295 PolarHBondContact O-N 3.46Å; E292-Q296 WeakPolarHBondContact O-CG 3.34Å; E292-Q296 PolarHBondContact O-N 2.82Å; E292-K442 IonicContact OE1-NZ 3.16Å; E292-K442 PolarHBondContact OE1-NZ 3.25Å; E292-K442 WeakPolarHBondContact OE2-CE 3.27Å; E292-K442 IonicContact OE2-NZ 2.86Å; E292-K442 PolarHBondContact OE2-NZ 2.88Å; E292-Y444 WeakPolarHBondContact OE2-CE1 3.45Å; E292-Y444 PolarHBondContact OE2-OH 3.43Å |
| 293 | M | 70.7 | Confident | 62.3 | Low | 21 Ų | 21 | 86.6 Ų | 86.6 | 10% | 0.103 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -62.4 | -32.9 | 174 | -173.2 | -174.3 | 82.1 | 0 | 0 | 113.2 | L289 F290 A291 E295 Q296 L297 W368 W371 | L289-M293 VanDerWaalsContact O-CB 3.22Å; L289-M293 WeakPolarHBondContact O-CB 3.22Å; L289-M293 PolarHBondContact O-N 2.74Å; F290-M293 HydrophobicContact CD1-CE 3.76Å; F290-M293 HydrophobicContact CE1-CE 4.26Å; A291-M293 VanDerWaalsContact C-N 3.33Å; A291-M293 PolarHBondContact O-N 3.09Å; M293-E295 VanDerWaalsContact C-N 3.32Å; M293-Q296 PolarHBondContact O-N 2.84Å; M293-L297 HydrophobicContact CE-CD1 4.35Å; M293-L297 HydrophobicContact CG-CD1 4.03Å; M293-L297 WeakPolarHBondContact O-CB 3.4Å; M293-L297 WeakPolarHBondContact O-CG 3.39Å; M293-L297 PolarHBondContact O-N 2.75Å; M293-W368 HydrophobicContact CE-CH2 3.93Å; M293-W368 HydrophobicContact CE-CZ2 3.54Å; M293-W368 HydrophobicContact SD-CD2 3.63Å; M293-W368 HydrophobicContact SD-CE3 3.77Å; M293-W368 HydrophobicContact SD-CG 4.48Å; M293-W368 HydrophobicContact SD-CH2 3.45Å; M293-W368 WeakPolarHBondContact SD-CH2 3.4Å; M293-W368 HydrophobicContact SD-CZ2 3.27Å; M293-W368 WeakPolarHBondContact SD-CZ2 3.3Å; M293-W368 HydrophobicContact SD-CZ3 3.68Å; M293-W371 HydrophobicContact CB-CH2 4.39Å; M293-W371 HydrophobicContact CG-CH2 4.07Å; M293-W371 HydrophobicContact CG-CZ2 3.71Å; M293-W371 HydrophobicContact SD-CH2 4.47Å; M293-W371 HydrophobicContact SD-CZ2 3.99Å |
| 294 | R | 71 | Confident | 59.5 | Low | 196 Ų | 196 | 84.7 Ų | 84.7 | 74% | 0.74 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.9 | -33.3 | 172.9 | -177 | 173.8 | 179.3 | 153.3 | 4.1 | 111.8 | F290 A291 E292 G298 | F290-R294 WeakPolarHBondContact O-CB 3.43Å; F290-R294 PolarHBondContact O-N 3.15Å; F290-R294 VanDerWaalsContact O-N 3.15Å; A291-R294 WeakPolarHBondContact O-CB 3.22Å; A291-R294 PolarHBondContact O-N 2.9Å; A291-R294 VanDerWaalsContact O-N 3.16Å; E292-R294 VanDerWaalsContact C-N 3.3Å; E292-R294 PolarHBondContact O-N 3.15Å; R294-G298 PolarHBondContact O-N 2.72Å |
| 295 | E | 68.4 | Low | 57.4 | Low | 135 Ų | 135 | 91 Ų | 91 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71 | -37.2 | 174.1 | -63.8 | 171.1 | 165.1 | 0 | 0 | 111.2 | A291 E292 M293 S299 | A291-E295 PolarHBondContact O-N 3.35Å; E292-E295 WeakPolarHBondContact O-CB 3.49Å; E292-E295 PolarHBondContact O-N 3.46Å; M293-E295 VanDerWaalsContact C-N 3.32Å; E295-S299 PolarHBondContact O-N 3.47Å; E295-S299 PolarHBondContact O-OG 2.89Å |
| 296 | Q | 63.3 | Low | 55.4 | Low | 40 Ų | 40 | 87.8 Ų | 87.8 | 19% | 0.187 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -64.5 | -47.9 | 172.6 | -59.5 | -77.5 | -18.8 | 0 | 0 | 112.2 | E292 M293 S299 | E292-Q296 WeakPolarHBondContact O-CG 3.34Å; E292-Q296 PolarHBondContact O-N 2.82Å; M293-Q296 PolarHBondContact O-N 2.84Å; Q296-S299 PolarHBondContact O-OG 2.92Å |
| 297 | L | 60 | Low | 53.8 | Low | 86 Ų | 86 | 85.7 Ų | 85.7 | 45% | 0.45 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74 | -42.5 | -178.3 | -69.9 | 169 | 0 | 0 | 0 | 112.3 | M293 S299 A300 | M293-L297 HydrophobicContact CE-CD1 4.35Å; M293-L297 HydrophobicContact CG-CD1 4.03Å; M293-L297 WeakPolarHBondContact O-CB 3.4Å; M293-L297 WeakPolarHBondContact O-CG 3.39Å; M293-L297 PolarHBondContact O-N 2.75Å; L297-S299 PolarHBondContact O-N 2.9Å; L297-A300 WeakPolarHBondContact O-CB 3.34Å; L297-A300 PolarHBondContact O-N 2.73Å |
| 298 | G | 53.2 | Low | 52.4 | Low | 41 Ų | 41 | 86.5 Ų | 86.5 | 42% | 0.423 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.6 | -15.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R294 | R294-G298 PolarHBondContact O-N 2.72Å |
| 299 | S | 46.3 | Very low | 50.6 | Low | 64 Ų | 64 | 86.9 Ų | 86.9 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.5 | -16 | 171.6 | 45.9 | 0 | 0 | 0 | 0 | 113.5 | E295 Q296 L297 | E295-S299 PolarHBondContact O-N 3.47Å; E295-S299 PolarHBondContact O-OG 2.89Å; Q296-S299 PolarHBondContact O-OG 2.92Å; L297-S299 PolarHBondContact O-N 2.9Å |
| 300 | A | 42.5 | Very low | 49 | Very low | 73 Ų | 73 | 95.6 Ų | 95.6 | 60% | 0.603 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -35.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | L297 A302 | L297-A300 WeakPolarHBondContact O-CB 3.34Å; L297-A300 PolarHBondContact O-N 2.73Å; A300-A302 PolarHBondContact O-N 2.8Å |
| 301 | E | 37.7 | Very low | 47.1 | Very low | 168 Ų | 168 | 93 Ų | 93 | 79% | 0.785 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -69.5 | -19.2 | 178.9 | -65.4 | -171.9 | 110.1 | 0 | 0 | 113.3 | A303 | E301-A303 PolarHBondContact O-N 3.15Å; E301-A303 VanDerWaalsContact O-N 3.11Å |
| 302 | A | 32.7 | Very low | 45.3 | Very low | 87 Ų | 87 | 95.7 Ų | 95.7 | 72% | 0.719 | 62% | 0.622 | S | S | * | * | G | 310 helix | trans | -69.8 | -3.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A300 | A300-A302 PolarHBondContact O-N 2.8Š|
| 303 | A | 34.8 | Very low | 43.2 | Very low | 93 Ų | 93 | 106.5 Ų | 106.5 | 77% | 0.769 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -101.7 | 3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E301 | E301-A303 PolarHBondContact O-N 3.15Å; E301-A303 VanDerWaalsContact O-N 3.11Å |
| 304 | G | 30.8 | Very low | 41.4 | Very low | 52 Ų | 52 | 110.9 Ų | 110.9 | 54% | 0.536 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -87.1 | 142.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G306 | G304-G306 PolarHBondContact O-N 3.32Š|
| 305 | P | 34.5 | Very low | 39.9 | Very low | 135 Ų | 135 | 106.7 Ų | 106.7 | 88% | 0.877 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 126.9 | 170.2 | 28.4 | -33.2 | 0 | 0 | 0 | 109.8 | ||
| 306 | G | 33.3 | Very low | 38.4 | Very low | 78 Ų | 78 | 106.7 Ų | 106.7 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 140.9 | -157.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | G304 | G304-G306 PolarHBondContact O-N 3.32Š|
| 307 | V | 28.9 | Very low | 37 | Very low | 135 Ų | 135 | 110.8 Ų | 110.8 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -121.2 | 110.9 | 152 | 177.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 308 | G | 36.4 | Very low | 35.5 | Very low | 79 Ų | 79 | 110.6 Ų | 110.6 | 81% | 0.814 | 75% | 0.754 | S | S | * | * | trans | -84.6 | 116.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 309 | T | 32.3 | Very low | 34.4 | Very low | 130 Ų | 130 | 113 Ų | 113 | 80% | 0.798 | 77% | 0.77 | S | S | * | * | trans | -154.1 | 147.3 | 165.7 | 17 | 0 | 0 | 0 | 0 | 110.2 | G311 | T309-G311 PolarHBondContact O-N 3.16Š| ||
| 310 | E | 40.4 | Very low | 34 | Very low | 192 Ų | 192 | 116.1 Ų | 116.1 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -71.9 | 109.3 | -177.7 | -68.8 | 168.9 | 88.6 | 0 | 0 | 112.4 | S312 | E310-S312 PolarHBondContact O-N 3.16Å; E310-S312 VanDerWaalsContact O-N 3.09Å | ||
| 311 | G | 30.2 | Very low | 33.4 | Very low | 81 Ų | 81 | 120.7 Ų | 120.7 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -83.3 | 61.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | T309 | T309-G311 PolarHBondContact O-N 3.16Š| ||
| 312 | S | 30.7 | Very low | 33 | Very low | 107 Ų | 107 | 117.9 Ų | 117.9 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 136.5 | 166.4 | -71.7 | 0 | 0 | 0 | 0 | 110.5 | E310 | E310-S312 PolarHBondContact O-N 3.16Å; E310-S312 VanDerWaalsContact O-N 3.09Å |
| 313 | W | 29.7 | Very low | 32.9 | Very low | 243 Ų | 243 | 117 Ų | 117 | 92% | 0.92 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 126.3 | 179.7 | -69.9 | 89.3 | 0 | 0 | 0 | 111.2 | ||
| 314 | P | 32.9 | Very low | 33.3 | Very low | 114 Ų | 114 | 117.9 Ų | 117.9 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 126.7 | -177.9 | 28 | -33.6 | 0 | 0 | 0 | 110.8 | ||
| 315 | P | 39.8 | Very low | 33.3 | Very low | 108 Ų | 108 | 127.2 Ų | 127.2 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 148 | 168.5 | 30.9 | -33.9 | 0 | 0 | 0 | 110.1 | S317 | P315-S317 PolarHBondContact O-N 2.85Å; P315-S317 VanDerWaalsContact O-N 3.09Å |
| 316 | P | 36.7 | Very low | 33 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | -67 | 110.6 | 176.7 | 27.2 | -33.6 | 0 | 0 | 0 | 110.6 | ||||
| 317 | S | 32.5 | Very low | 33.6 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | trans | -74.9 | 131.3 | 176 | 46 | 0 | 0 | 0 | 0 | 111 | P315 | P315-S317 PolarHBondContact O-N 2.85Å; P315-S317 VanDerWaalsContact O-N 3.09Å | ||
| 318 | G | 28.7 | Very low | 33.7 | Very low | 81 Ų | 81 | 128.5 Ų | 128.5 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | -172.4 | 24.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 319 | A | 30.8 | Very low | 34.1 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -146.8 | 132.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 320 | P | 36.8 | Very low | 34.1 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -82.1 | 159.8 | -180 | 33.8 | -35.5 | 0 | 0 | 0 | 112.8 | ||||
| 321 | D | 30 | Very low | 33.9 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 90% | 0.904 | 82% | 0.819 | S | S | * | * | trans | -62.8 | 152.2 | -174.8 | -56.2 | -83.7 | 0 | 0 | 0 | 115 | ||||
| 322 | A | 30.5 | Very low | 34.6 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 90% | 0.901 | 83% | 0.825 | S | S | * | * | trans | -144.4 | 125.1 | 168 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 323 | G | 29.9 | Very low | 34.9 | Very low | 69 Ų | 69 | 145.6 Ų | 145.6 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | trans | -174.6 | 171.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 324 | P | 44.1 | Very low | 35.8 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | cis | -139.3 | 115.4 | -36 | 32.7 | -14.8 | 0 | 0 | 0 | 112.2 | ||||
| 325 | W | 30.1 | Very low | 36.3 | Very low | 248 Ų | 248 | 151.8 Ų | 151.8 | 94% | 0.939 | 84% | 0.84 | S | S | * | * | trans | -140.4 | 138.7 | 172.9 | -67.7 | 99.7 | 0 | 0 | 0 | 113.8 | ||||
| 326 | L | 28.9 | Very low | 36.3 | Very low | 162 Ų | 162 | 152.9 Ų | 152.9 | 85% | 0.848 | 85% | 0.845 | S | S | * | * | trans | -148.4 | 165.7 | 176.8 | -86.1 | 172 | 0 | 0 | 0 | 106.7 | ||||
| 327 | P | 45 | Very low | 36.4 | Very low | 104 Ų | 104 | 151 Ų | 151 | 68% | 0.675 | 84% | 0.841 | S | S | * | * | cis | -134.8 | 165.5 | 5.5 | 39.7 | -23.1 | 0 | 0 | 0 | 116.9 | ||||
| 328 | S | 32 | Very low | 37 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 76% | 0.755 | 84% | 0.843 | S | S | * | * | trans | 67.6 | 166 | 144.1 | -69 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 329 | P | 44.8 | Very low | 37.6 | Very low | 128 Ų | 128 | 155.6 Ų | 155.6 | 83% | 0.831 | 84% | 0.839 | S | S | * | * | cis | -134.8 | 145.3 | -47.3 | 36.8 | -22 | 0 | 0 | 0 | 113.6 | ||||
| 330 | G | 32.3 | Very low | 38.4 | Very low | 79 Ų | 79 | 156.1 Ų | 156.1 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -165.3 | 111.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 331 | R | 36.3 | Very low | 38.9 | Very low | 256 Ų | 256 | 161.5 Ų | 161.5 | 97% | 0.966 | 84% | 0.841 | S | S | * | * | trans | 42.2 | 125.1 | 158.5 | -76 | -172.2 | 169.5 | -146.2 | -3.8 | 121.5 | ||||
| 332 | R | 44.9 | Very low | 39.8 | Very low | 253 Ų | 253 | 162.3 Ų | 162.3 | 96% | 0.955 | 84% | 0.838 | S | S | * | * | trans | -54.5 | 138.4 | 163.7 | -60.7 | 171.9 | 175.5 | 171.9 | -2.7 | 113.2 | ||||
| 333 | R | 37.5 | Very low | 40.4 | Very low | 233 Ų | 233 | 160.3 Ų | 160.3 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | -154.4 | 121.6 | 137.8 | -151.7 | 171.5 | -173.9 | -179.7 | 1.6 | 111.6 | ||||
| 334 | R | 47 | Very low | 40.8 | Very low | 244 Ų | 244 | 166.7 Ų | 166.7 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | -60.2 | 140.9 | 167.6 | -79.9 | 179.5 | 170.2 | 169.8 | -4.2 | 109.3 | ||||
| 335 | R | 43.2 | Very low | 41.2 | Very low | 242 Ų | 242 | 173.5 Ų | 173.5 | 91% | 0.913 | 85% | 0.848 | S | S | * | * | trans | -119.3 | 150.3 | 155.4 | -82.4 | -175.1 | 165.5 | 168 | -3.7 | 109.3 | ||||
| 336 | T | 40.8 | Very low | 42.2 | Very low | 131 Ų | 131 | 170 Ų | 170 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 158.9 | -160.5 | 43.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 337 | A | 38.5 | Very low | 43 | Very low | 96 Ų | 96 | 165.6 Ų | 165.6 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -56 | 148.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 338 | F | 45.4 | Very low | 43.1 | Very low | 214 Ų | 214 | 170.5 Ų | 170.5 | 94% | 0.939 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -72 | 128.1 | 168.8 | -91.2 | -94.9 | 0 | 0 | 0 | 109.9 | ||
| 339 | A | 40.7 | Very low | 43.9 | Very low | 90 Ų | 90 | 175 Ų | 175 | 74% | 0.744 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 147.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R341 | A339-R341 PolarHBondContact O-N 2.93Š|
| 340 | S | 47.6 | Very low | 44.5 | Very low | 103 Ų | 103 | 173 Ų | 173 | 72% | 0.72 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 134.6 | 169.5 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 341 | R | 48.1 | Very low | 46.2 | Very low | 242 Ų | 242 | 178.2 Ų | 178.2 | 91% | 0.913 | 84% | 0.837 | S | S | * | * | trans | -116.2 | 106.7 | 160.7 | -75 | -170.9 | 172.7 | -166 | -2.1 | 108.9 | A339 | A339-R341 PolarHBondContact O-N 2.93Š| ||
| 342 | H | 47.9 | Very low | 48.4 | Very low | 185 Ų | 185 | 170.5 Ų | 170.5 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | -61.9 | 146.7 | 162.7 | -77.2 | -26.1 | 0 | 0 | 0 | 110.2 | ||||
| 343 | G | 42.6 | Very low | 50.5 | Low | 68 Ų | 68 | 162.9 Ų | 162.9 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 138.3 | 66.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 344 | K | 40.2 | Very low | 53.3 | Low | 203 Ų | 203 | 152.1 Ų | 152.1 | 88% | 0.883 | 75% | 0.746 | S | S | * | * | trans | -169.3 | 149.1 | 131.5 | -104 | 156.3 | -172.3 | -179 | 0 | 111.9 | H346 | K344-H346 PolarHBondContact O-N 2.89Š| ||
| 345 | R | 51.1 | Low | 55.5 | Low | 254 Ų | 254 | 142.4 Ų | 142.4 | 96% | 0.958 | 72% | 0.715 | S | S | * | * | trans | -70.5 | 93.8 | 175.1 | -79 | 174.3 | 162.6 | 174.8 | -6.7 | 109.9 | ||||
| 346 | H | 50.9 | Low | 58 | Low | 174 Ų | 174 | 134.5 Ų | 134.5 | 81% | 0.806 | 69% | 0.688 | S | S | * | * | trans | -76.3 | 135.5 | 143.3 | -73.1 | -79.1 | 0 | 0 | 0 | 107.7 | K344 K348 | K344-H346 PolarHBondContact O-N 2.89Å; H346-K348 PolarHBondContact O-N 3.14Å | ||
| 347 | G | 46.6 | Very low | 60.6 | Low | 70 Ų | 70 | 130.2 Ų | 130.2 | 72% | 0.722 | 66% | 0.658 | S | S | * | * | trans | -53.8 | 132.7 | 175 | 0 | 0 | 0 | 0 | 0 | 109.4 | K349 | G347-K349 PolarHBondContact O-N 2.92Š| ||
| 348 | K | 46.2 | Very low | 63.4 | Low | 208 Ų | 208 | 130.4 Ų | 130.4 | 90% | 0.904 | 65% | 0.651 | S | S | * | * | trans | -70.5 | 77.3 | -174.6 | -164.6 | -179.7 | -172.6 | -178 | 0 | 109.2 | H346 S350 | H346-K348 PolarHBondContact O-N 3.14Å; K348-S350 VanDerWaalsContact C-N 3.31Å; K348-S350 PolarHBondContact O-N 3.49Å | ||
| 349 | K | 48.9 | Very low | 65.8 | Low | 201 Ų | 201 | 123.8 Ų | 123.8 | 87% | 0.874 | 63% | 0.625 | S | S | * | * | trans | -51.9 | 103.4 | 161.4 | -76.4 | -168.9 | 176.5 | -172.4 | 0 | 105.2 | G347 R351 | G347-K349 PolarHBondContact O-N 2.92Å; K349-R351 PolarHBondContact O-N 3.15Å | ||
| 350 | S | 58.7 | Low | 68.5 | Low | 88 Ų | 88 | 123.4 Ų | 123.4 | 62% | 0.615 | 61% | 0.608 | S | S | * | * | trans | -55.5 | 125.6 | 173.8 | 33.5 | 0 | 0 | 0 | 0 | 106.4 | K348 L352 | K348-S350 VanDerWaalsContact C-N 3.31Å; K348-S350 PolarHBondContact O-N 3.49Å; S350-L352 PolarHBondContact O-N 2.9Å | ||
| 351 | R | 66.7 | Low | 70.7 | Confident | 188 Ų | 188 | 120 Ų | 120 | 71% | 0.709 | 58% | 0.582 | S | S | * | * | trans | -55.2 | 109.1 | 169 | -77.6 | 179.1 | 175.3 | 173.6 | -1.6 | 105.7 | K349 R353 V386 | K349-R351 PolarHBondContact O-N 3.15Å; R351-R353 PolarHBondContact O-N 2.88Å; R351-V386 HydrophobicContact CB-CB 4.47Å; R351-V386 HydrophobicContact CB-CG2 3.98Å; R351-V386 HydrophobicContact CG-CG2 4.35Å | ||
| 352 | L | 83.6 | Confident | 73 | Confident | 93 Ų | 93 | 109.7 Ų | 109.7 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | trans | -59.2 | 126.8 | -176.8 | -66.3 | 179.3 | 0 | 0 | 0 | 106.5 | S350 G385 V386 | S350-L352 PolarHBondContact O-N 2.9Å; L352-G385 CarbonylContact O-C 3.4Å; L352-G385 WeakPolarHBondContact O-CA 3.16Å; L352-V386 PolarHBondContact O-N 3.22Å | ||
| 353 | R | 89.5 | Confident | 75.1 | Confident | 94 Ų | 94 | 101 Ų | 101 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 151.2 | 176.8 | -71 | -56.8 | -170.2 | 106.2 | -12.1 | 109.3 | R351 S355 V386 D388 | R351-R353 PolarHBondContact O-N 2.88Å; R353-S355 WeakPolarHBondContact O-CB 3.44Å; R353-S355 PolarHBondContact O-N 2.78Å; R353-S355 VanDerWaalsContact O-N 3.09Å; R353-S355 PolarHBondContact O-OG 2.72Å; R353-V386 VanDerWaalsContact CD-O 3.23Å; R353-V386 WeakPolarHBondContact CD-O 3.3Å; R353-D388 IonicContact CZ-OD2 3.04Å; R353-D388 IonicContact NE-OD2 2.86Å; R353-D388 PolarHBondContact NE-OD2 3.35Å; R353-D388 PolarHBondContact NH1-O 2.74Å; R353-D388 PolarHBondContact NH2-O 3.33Å; R353-D388 IonicContact NH2-OD2 2.88Å; R353-D388 PolarHBondContact NH2-OD2 2.83Å |
| 354 | C | 94.4 | Very high | 77.4 | Confident | 6 Ų | 6 | 104 Ų | 104 | 4% | 0.041 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -44.5 | 119.3 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | E384 V386 L395 C420 G453 | C354-E384 WeakPolarHBondContact CA-O 3.35Å; C354-V386 PolarHBondContact N-O 2.84Å; C354-L395 HydrophobicContact CB-CD1 4.37Å; C354-L395 HydrophobicContact CB-CD2 4.44Å; C354-L395 WeakPolarHBondContact O-CD2 3.32Å; C354-C420 WeakPolarHBondContact CA-SG 3.3Å; C354-C420 HydrophobicContact CB-CB 3.61Å; C354-C420 WeakPolarHBondContact CB-SG 3.02Å; C354-C420 WeakPolarHBondContact SG-CA 3.23Å; C354-C420 WeakPolarHBondContact SG-CB 3Å; C354-C420 CovalentContact SG-SG 2.03Å; C354-C420 PolarHBondContact SG-SG 2.77Å; C354-G453 PolarHBondContact SG-O 3.04Å |
| 355 | S | 93.6 | Very high | 79.9 | Confident | 41 Ų | 41 | 102.3 Ų | 102.3 | 29% | 0.287 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 156.1 | -174.1 | 45.1 | 0 | 0 | 0 | 0 | 110.9 | R353 K357 E384 | R353-S355 WeakPolarHBondContact O-CB 3.44Å; R353-S355 PolarHBondContact O-N 2.78Å; R353-S355 VanDerWaalsContact O-N 3.09Å; R353-S355 PolarHBondContact O-OG 2.72Å; S355-K357 PolarHBondContact OG-NZ 3.03Å; S355-E384 PolarHBondContact N-O 3.03Å; S355-E384 PolarHBondContact O-N 2.83Å; S355-E384 VanDerWaalsContact O-N 3.08Å; S355-E384 VanDerWaalsContact O-O 3.1Å |
| 356 | K | 95.4 | Very high | 81.7 | Confident | 76 Ų | 76 | 94.3 Ų | 94.3 | 33% | 0.33 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 147.8 | 172.9 | -166.3 | 158.5 | 83.5 | 178.7 | 0 | 111.2 | Y381 H382 V449 E450 | K356-Y381 HydrophobicContact CD-CD1 3.91Å; K356-Y381 HydrophobicContact CD-CD2 4.46Å; K356-Y381 HydrophobicContact CD-CG 3.78Å; K356-Y381 HydrophobicContact CG-CD1 3.87Å; K356-Y381 HydrophobicContact CG-CG 4.04Å; K356-H382 CarbonylContact C-O 3.55Å; K356-H382 WeakPolarHBondContact CA-O 3.39Å; K356-V449 HydrophobicContact CD-CB 4.15Å; K356-V449 HydrophobicContact CD-CG1 3.87Å; K356-V449 WeakPolarHBondContact CD-O 3.44Å; K356-V449 WeakPolarHBondContact CE-O 3.36Å; K356-V449 HydrophobicContact CG-CG1 4.35Å; K356-V449 PolarHBondContact NZ-O 3.49Å; K356-E450 PolarHBondContact NZ-O 3.26Å |
| 357 | K | 95.9 | Very high | 83.5 | Confident | 40 Ų | 40 | 88.3 Ų | 88.3 | 17% | 0.174 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.6 | 176.5 | -60.7 | -70.8 | 153.8 | -100.9 | 0 | 109 | S355 Y381 H382 E384 | S355-K357 PolarHBondContact OG-NZ 3.03Å; K357-Y381 CarbonylContact O-C 3.58Å; K357-Y381 WeakPolarHBondContact O-CA 3.29Å; K357-Y381 VanDerWaalsContact O-CB 3.23Å; K357-Y381 WeakPolarHBondContact O-CB 3.24Å; K357-Y381 WeakPolarHBondContact O-CD1 3.28Å; K357-H382 WeakPolarHBondContact CB-CE1 3.48Å; K357-H382 PolarHBondContact N-O 2.82Å; K357-H382 PolarHBondContact O-N 2.96Å; K357-E384 HydrophobicContact CD-CB 4.33Å; K357-E384 HydrophobicContact CG-CB 3.55Å |
| 358 | P | 96.9 | Very high | 85.5 | Confident | 100 Ų | 100 | 86.3 Ų | 86.3 | 65% | 0.649 | 43% | 0.426 | S | S | * | . | trans | -63.9 | 139.3 | 171.5 | 29.5 | -34.2 | 0 | 0 | 0 | 110 | ||||
| 359 | L | 96.4 | Very high | 87.5 | Confident | 76 Ų | 76 | 79 Ų | 79 | 40% | 0.398 | 40% | 0.397 | S | S | . | . | trans | -146.3 | 103 | 171.4 | 173.9 | 60.4 | 0 | 0 | 0 | 105.8 | V361 E379 A380 Y381 H382 | L359-V361 HydrophobicContact CG-CG2 4.49Å; L359-E379 CarbonylContact O-C 3.55Å; L359-A380 HydrophobicContact CD2-CB 4.49Å; L359-A380 HydrophobicContact CG-CB 4.47Å; L359-A380 PolarHBondContact O-N 2.85Å; L359-Y381 PolarHBondContact O-N 2.9Å; L359-Y381 VanDerWaalsContact O-N 3.16Å; L359-H382 HydrophobicContact CB-CB 4.49Å; L359-H382 HydrophobicContact CD2-CB 4.13Å | ||
| 360 | H | 96.7 | Very high | 89.4 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 133.4 | 175 | -171.1 | 87.4 | 0 | 0 | 0 | 109 | E377 E379 | H360-E377 IonicContact CE1-OE1 2.77Å; H360-E377 IonicContact NE2-OE2 3.79Å; H360-E379 IonicContact CE1-OE1 3.19Å; H360-E379 IonicContact CG-OE1 2.8Å; H360-E379 IonicContact ND1-OE1 3.23Å; H360-E379 PolarHBondContact ND1-OE1 3.19Å |
| 361 | V | 95.3 | Very high | 91 | Very high | 30 Ų | 30 | 71 Ų | 71 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 116.5 | 174.9 | 175.8 | 0 | 0 | 0 | 0 | 107.7 | L359 F363 L366 E377 Y378 A380 | L359-V361 HydrophobicContact CG-CG2 4.49Å; V361-F363 HydrophobicContact CG1-CE1 4.39Å; V361-L366 HydrophobicContact CG1-CD1 4.12Å; V361-E377 CarbonylContact O-C 3.58Å; V361-E377 VanDerWaalsContact O-CA 3.23Å; V361-E377 WeakPolarHBondContact O-CA 3.42Å; V361-Y378 HydrophobicContact CB-CD1 3.96Å; V361-Y378 HydrophobicContact CB-CE1 3.58Å; V361-Y378 HydrophobicContact CG1-CD1 4.23Å; V361-Y378 HydrophobicContact CG1-CE1 3.6Å; V361-Y378 HydrophobicContact CG2-CE1 4.26Å; V361-Y378 PolarHBondContact N-O 2.87Å; V361-Y378 PolarHBondContact O-N 3.25Å; V361-A380 HydrophobicContact CG2-CB 3.65Å |
| 362 | N | 95.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 62.2 Ų | 62.2 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 114.8 | 179.1 | -164 | -61.3 | 0 | 0 | 0 | 109.9 | K364 E365 L366 E377 | N362-K364 PolarHBondContact O-N 3.26Å; N362-K364 VanDerWaalsContact OD1-CB 3.28Å; N362-K364 WeakPolarHBondContact OD1-CB 3.22Å; N362-K364 PolarHBondContact OD1-N 3.05Å; N362-K364 VanDerWaalsContact OD1-N 3.08Å; N362-E365 HydrophobicContact CB-CB 4.3Å; N362-E365 HydrophobicContact CB-CG 3.99Å; N362-E365 PolarHBondContact O-N 2.88Å; N362-L366 PolarHBondContact O-N 3.46Å; N362-E377 HydrophobicContact CB-CB 4.4Å; N362-E377 PolarHBondContact ND2-OE2 3.05Å |
| 363 | F | 93 | Very high | 92.7 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -21.8 | -176.2 | -67.6 | -60.2 | 0 | 0 | 0 | 112.9 | V361 L366 G367 W368 I372 P375 L376 Y378 I430 | V361-F363 HydrophobicContact CG1-CE1 4.39Å; F363-L366 HydrophobicContact CD1-CD1 4.19Å; F363-L366 CarbonylContact O-C 3.6Å; F363-L366 PolarHBondContact O-N 3.15Å; F363-G367 PolarHBondContact O-N 3.02Å; F363-W368 HydrophobicContact CB-CB 4.32Å; F363-W368 HydrophobicContact CD1-CD2 4.37Å; F363-W368 AromaticContact CD1-CE3 3.44Å; F363-W368 HydrophobicContact CD1-CE3 3.44Å; F363-W368 VanDerWaalsContact CD1-CE3 3.44Å; F363-W368 AromaticContact CD1-CZ3 3.82Å; F363-W368 HydrophobicContact CD1-CZ3 3.82Å; F363-W368 AromaticContact CE1-CE3 3.84Å; F363-W368 HydrophobicContact CE1-CE3 3.84Å; F363-W368 AromaticContact CE1-CZ3 3.8Å; F363-W368 HydrophobicContact CE1-CZ3 3.8Å; F363-W368 PolarHBondContact O-N 3.07Å; F363-I372 HydrophobicContact CB-CD1 4.08Å; F363-I372 HydrophobicContact CD1-CD1 3.7Å; F363-I372 HydrophobicContact CD2-CD1 4.14Å; F363-I372 HydrophobicContact CD2-CG2 4.35Å; F363-I372 HydrophobicContact CE1-CD1 4.09Å; F363-I372 HydrophobicContact CE2-CD1 4.48Å; F363-I372 HydrophobicContact CG-CD1 3.71Å; F363-I372 HydrophobicContact CZ-CD1 4.46Å; F363-P375 WeakPolarHBondContact CD2-O 3.19Å; F363-P375 HydrophobicContact CE2-CG 4.37Å; F363-L376 WeakPolarHBondContact CB-O 3.33Å; F363-L376 PolarHBondContact N-O 3.28Å; F363-Y378 HydrophobicContact CE1-CE1 4.22Å; F363-Y378 AromaticContact CE2-CD1 3.83Å; F363-Y378 HydrophobicContact CE2-CD1 3.83Å; F363-Y378 HydrophobicContact CE2-CE1 4.07Å; F363-Y378 AromaticContact CZ-CD1 3.82Å; F363-Y378 HydrophobicContact CZ-CD1 3.82Å; F363-Y378 AromaticContact CZ-CE1 3.55Å; F363-Y378 HydrophobicContact CZ-CE1 3.55Å; F363-I430 HydrophobicContact CZ-CD1 4.34Å |
| 364 | K | 91.1 | Very high | 93 | Very high | 130 Ų | 130 | 56.2 Ų | 56.2 | 57% | 0.565 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -36.2 | 173.5 | -179.1 | 164.5 | -168.5 | 165.5 | 0 | 112.6 | N362 L366 G367 D369 | N362-K364 PolarHBondContact O-N 3.26Å; N362-K364 VanDerWaalsContact OD1-CB 3.28Å; N362-K364 WeakPolarHBondContact OD1-CB 3.22Å; N362-K364 PolarHBondContact OD1-N 3.05Å; N362-K364 VanDerWaalsContact OD1-N 3.08Å; K364-L366 PolarHBondContact O-N 2.96Å; K364-G367 PolarHBondContact O-N 3.13Å; K364-D369 HydrophobicContact CB-CB 4.07Å; K364-D369 VanDerWaalsContact CD-OD2 3.29Å; K364-D369 WeakPolarHBondContact CD-OD2 3.49Å; K364-D369 VanDerWaalsContact CE-OD2 3.23Å; K364-D369 WeakPolarHBondContact CE-OD2 3.43Å; K364-D369 HydrophobicContact CG-CB 4.32Å; K364-D369 WeakPolarHBondContact CG-OD2 3.18Å; K364-D369 IonicContact NZ-OD2 2.82Å |
| 365 | E | 92 | Very high | 93.1 | Very high | 169 Ų | 169 | 57.2 Ų | 57.2 | 79% | 0.79 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -24.4 | 172.2 | -63.7 | -173.1 | 162.3 | 0 | 0 | 112.1 | N362 | N362-E365 HydrophobicContact CB-CB 4.3Å; N362-E365 HydrophobicContact CB-CG 3.99Å; N362-E365 PolarHBondContact O-N 2.88Å |
| 366 | L | 89.1 | Confident | 93.1 | Very high | 86 Ų | 86 | 59.1 Ų | 59.1 | 45% | 0.45 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -7.7 | 171.8 | -59.5 | 173.3 | 0 | 0 | 0 | 113.6 | V361 N362 F363 K364 W368 | V361-L366 HydrophobicContact CG1-CD1 4.12Å; N362-L366 PolarHBondContact O-N 3.46Å; F363-L366 HydrophobicContact CD1-CD1 4.19Å; F363-L366 CarbonylContact O-C 3.6Å; F363-L366 PolarHBondContact O-N 3.15Å; K364-L366 PolarHBondContact O-N 2.96Å; L366-W368 HydrophobicContact CB-CD2 3.93Å; L366-W368 HydrophobicContact CB-CG 4.13Å; L366-W368 HydrophobicContact CB-CZ2 4.02Å; L366-W368 HydrophobicContact CD1-CD2 4.4Å; L366-W368 HydrophobicContact CD1-CE3 4.24Å; L366-W368 HydrophobicContact CD1-CH2 3.77Å; L366-W368 HydrophobicContact CD1-CZ2 3.94Å; L366-W368 HydrophobicContact CD1-CZ3 3.94Å; L366-W368 HydrophobicContact CG-CZ2 4.44Å; L366-W368 PolarHBondContact O-NE1 3.02Å |
| 367 | G | 88.6 | Confident | 93.1 | Very high | 48 Ų | 48 | 60.6 Ų | 60.6 | 50% | 0.495 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 27.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | F363 K364 | F363-G367 PolarHBondContact O-N 3.02Å; K364-G367 PolarHBondContact O-N 3.13Å |
| 368 | W | 89.3 | Confident | 93 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | trans | -104.8 | 1.7 | -176.4 | -54.4 | -6.8 | 0 | 0 | 0 | 113.2 | L289 F290 M293 F363 L366 D370 W371 I372 | L289-W368 HydrophobicContact CD2-CZ3 4.35Å; F290-W368 AromaticContact CE1-CH2 3.89Å; F290-W368 HydrophobicContact CE1-CH2 3.89Å; F290-W368 HydrophobicContact CE1-CZ2 4.45Å; F290-W368 HydrophobicContact CZ-CH2 4.33Å; M293-W368 HydrophobicContact CE-CH2 3.93Å; M293-W368 HydrophobicContact CE-CZ2 3.54Å; M293-W368 HydrophobicContact SD-CD2 3.63Å; M293-W368 HydrophobicContact SD-CE3 3.77Å; M293-W368 HydrophobicContact SD-CG 4.48Å; M293-W368 HydrophobicContact SD-CH2 3.45Å; M293-W368 WeakPolarHBondContact SD-CH2 3.4Å; M293-W368 HydrophobicContact SD-CZ2 3.27Å; M293-W368 WeakPolarHBondContact SD-CZ2 3.3Å; M293-W368 HydrophobicContact SD-CZ3 3.68Å; F363-W368 HydrophobicContact CB-CB 4.32Å; F363-W368 HydrophobicContact CD1-CD2 4.37Å; F363-W368 AromaticContact CD1-CE3 3.44Å; F363-W368 HydrophobicContact CD1-CE3 3.44Å; F363-W368 VanDerWaalsContact CD1-CE3 3.44Å; F363-W368 AromaticContact CD1-CZ3 3.82Å; F363-W368 HydrophobicContact CD1-CZ3 3.82Å; F363-W368 AromaticContact CE1-CE3 3.84Å; F363-W368 HydrophobicContact CE1-CE3 3.84Å; F363-W368 AromaticContact CE1-CZ3 3.8Å; F363-W368 HydrophobicContact CE1-CZ3 3.8Å; F363-W368 PolarHBondContact O-N 3.07Å; L366-W368 HydrophobicContact CB-CD2 3.93Å; L366-W368 HydrophobicContact CB-CG 4.13Å; L366-W368 HydrophobicContact CB-CZ2 4.02Å; L366-W368 HydrophobicContact CD1-CD2 4.4Å; L366-W368 HydrophobicContact CD1-CE3 4.24Å; L366-W368 HydrophobicContact CD1-CH2 3.77Å; L366-W368 HydrophobicContact CD1-CZ2 3.94Å; L366-W368 HydrophobicContact CD1-CZ3 3.94Å; L366-W368 HydrophobicContact CG-CZ2 4.44Å; L366-W368 PolarHBondContact O-NE1 3.02Å; W368-D370 PolarHBondContact O-N 3.13Å; W368-W371 HydrophobicContact CB-CZ2 3.8Å; W368-W371 AromaticContact CD2-CZ2 3.94Å; W368-W371 HydrophobicContact CD2-CZ2 3.94Å; W368-W371 HydrophobicContact CE3-CZ2 4.04Å; W368-W371 AromaticContact CG-CZ2 3.79Å; W368-W371 HydrophobicContact CG-CZ2 3.79Å; W368-W371 AromaticContact CG-NE1 3.82Å; W368-W371 PolarHBondContact O-N 3.25Å; W368-I372 HydrophobicContact CB-CD1 3.79Å; W368-I372 HydrophobicContact CB-CG1 4.31Å; W368-I372 HydrophobicContact CE3-CD1 3.92Å; W368-I372 PolarHBondContact O-N 2.95Å | ||
| 369 | D | 88.3 | Confident | 93 | Very high | 55 Ų | 55 | 59.2 Ų | 59.2 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -4.3 | 177.6 | 64.1 | -45.2 | 0 | 0 | 0 | 114.4 | K364 L376 | K364-D369 HydrophobicContact CB-CB 4.07Å; K364-D369 VanDerWaalsContact CD-OD2 3.29Å; K364-D369 WeakPolarHBondContact CD-OD2 3.49Å; K364-D369 VanDerWaalsContact CE-OD2 3.23Å; K364-D369 WeakPolarHBondContact CE-OD2 3.43Å; K364-D369 HydrophobicContact CG-CB 4.32Å; K364-D369 WeakPolarHBondContact CG-OD2 3.18Å; K364-D369 IonicContact NZ-OD2 2.82Å; D369-L376 HydrophobicContact CB-CD2 4.07Å |
| 370 | D | 88.9 | Confident | 93 | Very high | 89 Ų | 89 | 56 Ų | 56 | 48% | 0.476 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -18.7 | 170.9 | -84.7 | 3.7 | 0 | 0 | 0 | 114 | R88 W368 | R88-D370 VanDerWaalsContact CZ-CG 3.46Å; R88-D370 IonicContact CZ-OD1 3.05Å; R88-D370 IonicContact CZ-OD2 3.22Å; R88-D370 VanDerWaalsContact CZ-OD2 3.27Å; R88-D370 IonicContact NE-OD2 2.98Å; R88-D370 IonicContact NH1-OD1 3.27Å; R88-D370 PolarHBondContact NH1-OD1 3.31Å; R88-D370 IonicContact NH1-OD2 3.35Å; R88-D370 IonicContact NH2-OD1 2.7Å; R88-D370 PolarHBondContact NH2-OD1 3.35Å; R88-D370 IonicContact NH2-OD2 3.1Å; R88-D370 PolarHBondContact NH2-OD2 3.19Å; W368-D370 PolarHBondContact O-N 3.13Å |
| 371 | W | 90.4 | Very high | 93 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 12% | 0.121 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | -28.1 | -179.6 | 61.6 | -84.8 | 0 | 0 | 0 | 113.9 | M293 W368 Y432 I433 | M293-W371 HydrophobicContact CB-CH2 4.39Å; M293-W371 HydrophobicContact CG-CH2 4.07Å; M293-W371 HydrophobicContact CG-CZ2 3.71Å; M293-W371 HydrophobicContact SD-CH2 4.47Å; M293-W371 HydrophobicContact SD-CZ2 3.99Å; W368-W371 HydrophobicContact CB-CZ2 3.8Å; W368-W371 AromaticContact CD2-CZ2 3.94Å; W368-W371 HydrophobicContact CD2-CZ2 3.94Å; W368-W371 HydrophobicContact CE3-CZ2 4.04Å; W368-W371 AromaticContact CG-CZ2 3.79Å; W368-W371 HydrophobicContact CG-CZ2 3.79Å; W368-W371 AromaticContact CG-NE1 3.82Å; W368-W371 PolarHBondContact O-N 3.25Å; W371-Y432 HydrophobicContact CE3-CD2 4.01Å; W371-Y432 HydrophobicContact CE3-CG 4.21Å; W371-Y432 HydrophobicContact CZ3-CD2 4.1Å; W371-Y432 HydrophobicContact CZ3-CG 4.17Å; W371-Y432 CarbonylContact O-C 3.52Å; W371-Y432 VanDerWaalsContact O-CA 3.23Å; W371-Y432 WeakPolarHBondContact O-CA 3.48Å; W371-Y432 WeakPolarHBondContact O-CB 3.46Å; W371-I433 PolarHBondContact O-N 2.92Å |
| 372 | I | 93.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 120.6 | 170.6 | -61.5 | 175 | 0 | 0 | 0 | 109.6 | F363 W368 P375 I430 | F363-I372 HydrophobicContact CB-CD1 4.08Å; F363-I372 HydrophobicContact CD1-CD1 3.7Å; F363-I372 HydrophobicContact CD2-CD1 4.14Å; F363-I372 HydrophobicContact CD2-CG2 4.35Å; F363-I372 HydrophobicContact CE1-CD1 4.09Å; F363-I372 HydrophobicContact CE2-CD1 4.48Å; F363-I372 HydrophobicContact CG-CD1 3.71Å; F363-I372 HydrophobicContact CZ-CD1 4.46Å; W368-I372 HydrophobicContact CB-CD1 3.79Å; W368-I372 HydrophobicContact CB-CG1 4.31Å; W368-I372 HydrophobicContact CE3-CD1 3.92Å; W368-I372 PolarHBondContact O-N 2.95Å; I372-P375 WeakPolarHBondContact CG2-O 3.41Å; I372-I430 HydrophobicContact CG2-CG2 4.13Å |
| 373 | I | 94.7 | Very high | 93.2 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 23% | 0.226 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -45.2 | 177.5 | -59.1 | 155.2 | 0 | 0 | 0 | 110.2 | P94 L99 L431 I433 V439 | P94-I373 HydrophobicContact CB-CD1 4.17Å; P94-I373 HydrophobicContact CG-CD1 3.53Å; P94-I373 HydrophobicContact CG-CG1 4.02Å; P94-I373 HydrophobicContact CG-CG2 4.06Å; L99-I373 HydrophobicContact CD2-CG2 4.36Å; I373-L431 WeakPolarHBondContact CA-O 3.39Å; I373-L431 HydrophobicContact CB-CB 4.48Å; I373-L431 HydrophobicContact CB-CD2 4.16Å; I373-L431 HydrophobicContact CB-CG 4.25Å; I373-L431 WeakPolarHBondContact CB-O 2.92Å; I373-L431 HydrophobicContact CD1-CD2 4.21Å; I373-L431 HydrophobicContact CD1-CG 3.99Å; I373-L431 HydrophobicContact CG2-CD2 3.9Å; I373-L431 PolarHBondContact N-O 2.86Å; I373-I433 HydrophobicContact CD1-CG1 3.82Å; I373-I433 HydrophobicContact CG1-CD1 4.33Å; I373-I433 HydrophobicContact CG1-CG1 4.06Å; I373-V439 HydrophobicContact CD1-CG1 3.84Å; I373-V439 HydrophobicContact CD1-CG2 4.09Å |
| 374 | A | 95.6 | Very high | 93.3 | Very high | 17 Ų | 17 | 61.4 Ų | 61.4 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 150.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y102 I430 L431 | Y102-A374 HydrophobicContact CD1-CB 4.02Å; Y102-A374 HydrophobicContact CE1-CB 3.48Å; Y102-A374 VanDerWaalsContact CE1-CB 3.48Å; Y102-A374 HydrophobicContact CE2-CB 4.06Å; A374-I430 CarbonylContact O-C 3.58Å; A374-I430 WeakPolarHBondContact O-CA 3.42Å; A374-L431 HydrophobicContact CB-CB 4.5Å; A374-L431 PolarHBondContact N-O 2.83Å; A374-L431 VanDerWaalsContact N-O 3.07Å; A374-L431 PolarHBondContact O-N 2.91Å |
| 375 | P | 95.3 | Very high | 93.4 | Very high | 26 Ų | 26 | 56.4 Ų | 56.4 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | cis | -69.4 | 158.5 | -15.8 | 33.1 | -34.8 | 0 | 0 | 0 | 110.1 | Y102 F363 I372 E377 S429 | Y102-P375 WeakPolarHBondContact OH-CD 3.3Å; F363-P375 WeakPolarHBondContact CD2-O 3.19Å; F363-P375 HydrophobicContact CE2-CG 4.37Å; I372-P375 WeakPolarHBondContact CG2-O 3.41Å; P375-E377 WeakPolarHBondContact CB-O 3.39Å; P375-S429 WeakPolarHBondContact CD-O 3.45Å | ||
| 376 | L | 93.8 | Very high | 93.4 | Very high | 81 Ų | 81 | 50.7 Ų | 50.7 | 42% | 0.424 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -85.2 | -15.1 | 170.9 | -64.4 | 177.8 | 0 | 0 | 0 | 112.4 | F363 D369 | F363-L376 WeakPolarHBondContact CB-O 3.33Å; F363-L376 PolarHBondContact N-O 3.28Å; D369-L376 HydrophobicContact CB-CD2 4.07Å |
| 377 | E | 95 | Very high | 93.6 | Very high | 107 Ų | 107 | 46.8 Ų | 46.8 | 50% | 0.5 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 151.2 | -179.2 | 60.2 | -174.2 | -133.4 | 0 | 0 | 111.7 | H360 V361 N362 P375 | H360-E377 IonicContact CE1-OE1 2.77Å; H360-E377 IonicContact NE2-OE2 3.79Å; V361-E377 CarbonylContact O-C 3.58Å; V361-E377 VanDerWaalsContact O-CA 3.23Å; V361-E377 WeakPolarHBondContact O-CA 3.42Å; N362-E377 HydrophobicContact CB-CB 4.4Å; N362-E377 PolarHBondContact ND2-OE2 3.05Å; P375-E377 WeakPolarHBondContact CB-O 3.39Å |
| 378 | Y | 94.9 | Very high | 93.7 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 157.5 | 174.6 | 77.8 | -76.8 | 0 | 0 | 0 | 113 | V361 F363 A380 I428 M447 V448 | V361-Y378 HydrophobicContact CB-CD1 3.96Å; V361-Y378 HydrophobicContact CB-CE1 3.58Å; V361-Y378 HydrophobicContact CG1-CD1 4.23Å; V361-Y378 HydrophobicContact CG1-CE1 3.6Å; V361-Y378 HydrophobicContact CG2-CE1 4.26Å; V361-Y378 PolarHBondContact N-O 2.87Å; V361-Y378 PolarHBondContact O-N 3.25Å; F363-Y378 HydrophobicContact CE1-CE1 4.22Å; F363-Y378 AromaticContact CE2-CD1 3.83Å; F363-Y378 HydrophobicContact CE2-CD1 3.83Å; F363-Y378 HydrophobicContact CE2-CE1 4.07Å; F363-Y378 AromaticContact CZ-CD1 3.82Å; F363-Y378 HydrophobicContact CZ-CD1 3.82Å; F363-Y378 AromaticContact CZ-CE1 3.55Å; F363-Y378 HydrophobicContact CZ-CE1 3.55Å; Y378-A380 HydrophobicContact CD2-CB 4.28Å; Y378-A380 HydrophobicContact CE2-CB 3.55Å; Y378-A380 PolarHBondContact O-N 2.86Å; Y378-I428 HydrophobicContact CD1-CD1 3.98Å; Y378-I428 HydrophobicContact CD2-CD1 4.03Å; Y378-I428 HydrophobicContact CD2-CG2 4.16Å; Y378-I428 HydrophobicContact CE1-CD1 3.84Å; Y378-I428 HydrophobicContact CE2-CD1 3.9Å; Y378-I428 HydrophobicContact CE2-CG2 4.38Å; Y378-I428 HydrophobicContact CG-CD1 4.08Å; Y378-M447 WeakPolarHBondContact OH-CE 3.32Å; Y378-V448 HydrophobicContact CD2-CG2 3.64Å; Y378-V448 HydrophobicContact CE2-CG2 3.63Å |
| 379 | E | 95.9 | Very high | 93.7 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 34% | 0.341 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 97.5 | 171.9 | -67.7 | -61.6 | 137.2 | 0 | 0 | 110.1 | L359 H360 Y381 | L359-E379 CarbonylContact O-C 3.55Å; H360-E379 IonicContact CE1-OE1 3.19Å; H360-E379 IonicContact CG-OE1 2.8Å; H360-E379 IonicContact ND1-OE1 3.23Å; H360-E379 PolarHBondContact ND1-OE1 3.19Å; E379-Y381 HydrophobicContact CB-CD2 4.02Å; E379-Y381 HydrophobicContact CB-CE2 3.46Å; E379-Y381 VanDerWaalsContact CB-CE2 3.46Å; E379-Y381 HydrophobicContact CG-CE2 4.49Å; E379-Y381 VanDerWaalsContact O-CD2 3.3Å; E379-Y381 WeakPolarHBondContact O-CD2 3.42Å; E379-Y381 WeakPolarHBondContact O-CE2 3.49Å |
| 380 | A | 96.3 | Very high | 93.8 | Very high | 8 Ų | 8 | 51 Ų | 51 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | trans | -69.8 | -37.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L359 V361 Y378 V448 V449 | L359-A380 HydrophobicContact CD2-CB 4.49Å; L359-A380 HydrophobicContact CG-CB 4.47Å; L359-A380 PolarHBondContact O-N 2.85Å; V361-A380 HydrophobicContact CG2-CB 3.65Å; Y378-A380 HydrophobicContact CD2-CB 4.28Å; Y378-A380 HydrophobicContact CE2-CB 3.55Å; Y378-A380 PolarHBondContact O-N 2.86Å; A380-V448 CarbonylContact O-C 3.47Å; A380-V448 WeakPolarHBondContact O-CA 3.32Å; A380-V449 PolarHBondContact O-N 3.06Å | ||
| 381 | Y | 97.8 | Very high | 93.7 | Very high | 81 Ų | 81 | 48 Ų | 48 | 32% | 0.318 | 25% | 0.25 | S | C | . | . | trans | 58.7 | 160.3 | -166.4 | -56.2 | -94.1 | 0 | 0 | 0 | 113.9 | K356 K357 L359 E379 V448 V449 | K356-Y381 HydrophobicContact CD-CD1 3.91Å; K356-Y381 HydrophobicContact CD-CD2 4.46Å; K356-Y381 HydrophobicContact CD-CG 3.78Å; K356-Y381 HydrophobicContact CG-CD1 3.87Å; K356-Y381 HydrophobicContact CG-CG 4.04Å; K357-Y381 CarbonylContact O-C 3.58Å; K357-Y381 WeakPolarHBondContact O-CA 3.29Å; K357-Y381 VanDerWaalsContact O-CB 3.23Å; K357-Y381 WeakPolarHBondContact O-CB 3.24Å; K357-Y381 WeakPolarHBondContact O-CD1 3.28Å; L359-Y381 PolarHBondContact O-N 2.9Å; L359-Y381 VanDerWaalsContact O-N 3.16Å; E379-Y381 HydrophobicContact CB-CD2 4.02Å; E379-Y381 HydrophobicContact CB-CE2 3.46Å; E379-Y381 VanDerWaalsContact CB-CE2 3.46Å; E379-Y381 HydrophobicContact CG-CE2 4.49Å; E379-Y381 VanDerWaalsContact O-CD2 3.3Å; E379-Y381 WeakPolarHBondContact O-CD2 3.42Å; E379-Y381 WeakPolarHBondContact O-CE2 3.49Å; Y381-V448 HydrophobicContact CD2-CG1 4.2Å; Y381-V449 WeakPolarHBondContact O-CG2 3.06Å | ||
| 382 | H | 97.1 | Very high | 93.5 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 166.3 | 169.3 | 71.1 | -82.9 | 0 | 0 | 0 | 112.3 | K356 K357 L359 E384 | K356-H382 CarbonylContact C-O 3.55Å; K356-H382 WeakPolarHBondContact CA-O 3.39Å; K357-H382 WeakPolarHBondContact CB-CE1 3.48Å; K357-H382 PolarHBondContact N-O 2.82Å; K357-H382 PolarHBondContact O-N 2.96Å; L359-H382 HydrophobicContact CB-CB 4.49Å; L359-H382 HydrophobicContact CD2-CB 4.13Å; H382-E384 IonicContact CD2-OE2 2.82Å; H382-E384 IonicContact CE1-OE2 2.84Å; H382-E384 IonicContact NE2-OE2 2.71Å; H382-E384 PolarHBondContact NE2-OE2 3.22Å |
| 383 | C | 96.6 | Very high | 93 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.9 | 173.1 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | P422 C452 | C383-P422 VanDerWaalsContact SG-CA 3.52Å; C383-C452 WeakPolarHBondContact CA-SG 3.39Å; C383-C452 HydrophobicContact CB-CB 3.78Å; C383-C452 WeakPolarHBondContact CB-SG 3.39Å; C383-C452 VanDerWaalsContact SG-CA 3.56Å; C383-C452 WeakPolarHBondContact SG-CB 3.4Å; C383-C452 CovalentContact SG-SG 2.03Å; C383-C452 PolarHBondContact SG-SG 2.97Å |
| 384 | E | 95.5 | Very high | 92.4 | Very high | 89 Ų | 89 | 63 Ų | 63 | 42% | 0.416 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 147.1 | -179.1 | -158.9 | -166.6 | 120.3 | 0 | 0 | 111.2 | C354 S355 K357 H382 | C354-E384 WeakPolarHBondContact CA-O 3.35Å; S355-E384 PolarHBondContact N-O 3.03Å; S355-E384 PolarHBondContact O-N 2.83Å; S355-E384 VanDerWaalsContact O-N 3.08Å; S355-E384 VanDerWaalsContact O-O 3.1Å; K357-E384 HydrophobicContact CD-CB 4.33Å; K357-E384 HydrophobicContact CG-CB 3.55Å; H382-E384 IonicContact CD2-OE2 2.82Å; H382-E384 IonicContact CE1-OE2 2.84Å; H382-E384 IonicContact NE2-OE2 2.71Å; H382-E384 PolarHBondContact NE2-OE2 3.22Å |
| 385 | G | 93.1 | Very high | 92 | Very high | 26 Ų | 26 | 62.8 Ų | 62.8 | 27% | 0.268 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 123.1 | -177.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L352 C420 | L352-G385 CarbonylContact O-C 3.4Å; L352-G385 WeakPolarHBondContact O-CA 3.16Å; G385-C420 WeakPolarHBondContact O-CB 3.49Å |
| 386 | V | 92.1 | Very high | 91.7 | Very high | 49 Ų | 49 | 65.8 Ų | 65.8 | 30% | 0.297 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -106.5 | 141 | -169.2 | -166.6 | 0 | 0 | 0 | 0 | 111.4 | R351 L352 R353 C354 D388 | R351-V386 HydrophobicContact CB-CB 4.47Å; R351-V386 HydrophobicContact CB-CG2 3.98Å; R351-V386 HydrophobicContact CG-CG2 4.35Å; L352-V386 PolarHBondContact O-N 3.22Å; R353-V386 VanDerWaalsContact CD-O 3.23Å; R353-V386 WeakPolarHBondContact CD-O 3.3Å; C354-V386 PolarHBondContact N-O 2.84Å; V386-D388 WeakPolarHBondContact CG1-OD1 3.31Å |
| 387 | C | 93.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.02 | 32% | 0.321 | C | S | . | . | trans | -101.5 | 57.3 | 177.7 | -68.5 | 0 | 0 | 0 | 0 | 111.2 | L391 T405 S418 C454 | C387-L391 HydrophobicContact CB-CD2 4.01Å; C387-T405 WeakPolarHBondContact O-CG2 3.34Å; C387-S418 WeakPolarHBondContact CB-O 3.33Å; C387-C454 HydrophobicContact CB-CB 3.8Å; C387-C454 WeakPolarHBondContact CB-SG 3.32Å; C387-C454 WeakPolarHBondContact SG-CB 3.46Å; C387-C454 CovalentContact SG-SG 2.03Å; C387-C454 PolarHBondContact SG-SG 3.06Å | ||
| 388 | D | 90.9 | Very high | 91.4 | Very high | 43 Ų | 43 | 60.4 Ų | 60.4 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -78 | 150.8 | 174.8 | -11.5 | -98.4 | 0 | 0 | 0 | 112.3 | R353 V386 | R353-D388 IonicContact CZ-OD2 3.04Å; R353-D388 IonicContact NE-OD2 2.86Å; R353-D388 PolarHBondContact NE-OD2 3.35Å; R353-D388 PolarHBondContact NH1-O 2.74Å; R353-D388 PolarHBondContact NH2-O 3.33Å; R353-D388 IonicContact NH2-OD2 2.88Å; R353-D388 PolarHBondContact NH2-OD2 2.83Å; V386-D388 WeakPolarHBondContact CG1-OD1 3.31Å |
| 389 | F | 88.7 | Confident | 91.3 | Very high | 88 Ų | 88 | 65.2 Ų | 65.2 | 39% | 0.386 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -60.5 | 149.7 | 175.3 | -166.9 | -97 | 0 | 0 | 0 | 112.3 | T405 L406 | F389-T405 HydrophobicContact CB-CG2 3.87Å; F389-T405 HydrophobicContact CD2-CG2 4.43Å; F389-L406 HydrophobicContact CD1-CD1 4.43Å; F389-L406 HydrophobicContact CD2-CB 3.86Å; F389-L406 HydrophobicContact CD2-CD1 4.12Å; F389-L406 HydrophobicContact CE1-CD1 4.2Å; F389-L406 HydrophobicContact CE2-CB 3.9Å; F389-L406 HydrophobicContact CE2-CD1 3.89Å; F389-L406 HydrophobicContact CE2-CG 4.33Å; F389-L406 HydrophobicContact CG-CD1 4.4Å; F389-L406 HydrophobicContact CZ-CD1 3.93Å |
| 390 | P | 90.2 | Very high | 91.3 | Very high | 87 Ų | 87 | 67.9 Ų | 67.9 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | S | Bend | cis | -72.7 | 144.4 | -17.3 | 31.8 | -34.2 | 0 | 0 | 0 | 111.7 | ||
| 391 | L | 88.6 | Confident | 91.2 | Very high | 28 Ų | 28 | 67.5 Ų | 67.5 | 15% | 0.147 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 140.2 | 171.8 | -63.2 | -177.1 | 0 | 0 | 0 | 110.3 | C387 P397 A401 I402 T405 C454 | C387-L391 HydrophobicContact CB-CD2 4.01Å; L391-P397 HydrophobicContact CB-CB 4.33Å; L391-P397 HydrophobicContact CB-CG 4.15Å; L391-P397 HydrophobicContact CD1-CB 3.63Å; L391-P397 HydrophobicContact CD1-CG 4.33Å; L391-A401 HydrophobicContact CD1-CB 4.2Å; L391-I402 HydrophobicContact CD1-CG1 4.21Å; L391-T405 HydrophobicContact CD1-CG2 4.4Å; L391-T405 HydrophobicContact CD2-CG2 3.85Å; L391-T405 HydrophobicContact CG-CG2 3.89Å; L391-C454 HydrophobicContact CD1-CB 4.03Å; L391-C454 HydrophobicContact CD2-CB 4.02Å |
| 392 | R | 84.6 | Confident | 91 | Very high | 160 Ų | 160 | 66.6 Ų | 66.6 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 137.1 | 177.7 | -68.1 | 178.1 | 174.2 | -169.6 | -2.3 | 110.4 | H394 L395 | R392-H394 VanDerWaalsContact CB-CE1 3.48Å; R392-H394 WeakPolarHBondContact CB-CE1 3.34Å; R392-H394 VanDerWaalsContact CB-ND1 3.34Å; R392-H394 WeakPolarHBondContact CB-ND1 3.44Å; R392-H394 VanDerWaalsContact CD-CE1 3.46Å; R392-H394 WeakPolarHBondContact CD-CE1 3.39Å; R392-H394 PolarHBondContact O-N 2.84Å; R392-H394 VanDerWaalsContact O-N 3.1Å; R392-L395 WeakPolarHBondContact O-CB 3.27Å; R392-L395 PolarHBondContact O-N 2.95Å |
| 393 | S | 82.2 | Confident | 90.9 | Very high | 110 Ų | 110 | 68.2 Ų | 68.2 | 77% | 0.769 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -49.1 | -39 | -179.5 | 50.2 | 0 | 0 | 0 | 0 | 114.6 | L395 E396 | S393-L395 PolarHBondContact O-N 2.97Å; S393-E396 PolarHBondContact O-N 3.33Å |
| 394 | H | 83.9 | Confident | 90.8 | Very high | 123 Ų | 123 | 68.6 Ų | 68.6 | 57% | 0.569 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -63.9 | -5.9 | 178.7 | 74.1 | -11.6 | 0 | 0 | 0 | 115.6 | R392 E396 | R392-H394 VanDerWaalsContact CB-CE1 3.48Å; R392-H394 WeakPolarHBondContact CB-CE1 3.34Å; R392-H394 VanDerWaalsContact CB-ND1 3.34Å; R392-H394 WeakPolarHBondContact CB-ND1 3.44Å; R392-H394 VanDerWaalsContact CD-CE1 3.46Å; R392-H394 WeakPolarHBondContact CD-CE1 3.39Å; R392-H394 PolarHBondContact O-N 2.84Å; R392-H394 VanDerWaalsContact O-N 3.1Å; H394-E396 VanDerWaalsContact C-N 3.31Å |
| 395 | L | 86.8 | Confident | 90.6 | Very high | 14 Ų | 14 | 64.4 Ų | 64.4 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -92.2 | 7.8 | 173.7 | -60.7 | 176.9 | 0 | 0 | 0 | 112.3 | C354 R392 S393 P397 G453 C454 | C354-L395 HydrophobicContact CB-CD1 4.37Å; C354-L395 HydrophobicContact CB-CD2 4.44Å; C354-L395 WeakPolarHBondContact O-CD2 3.32Å; R392-L395 WeakPolarHBondContact O-CB 3.27Å; R392-L395 PolarHBondContact O-N 2.95Å; S393-L395 PolarHBondContact O-N 2.97Å; L395-P397 VanDerWaalsContact C-CD 3.41Å; L395-P397 VanDerWaalsContact C-N 3.28Å; L395-P397 VanDerWaalsContact O-N 3.12Å; L395-G453 WeakPolarHBondContact O-CA 3.17Å; L395-C454 PolarHBondContact O-N 3.21Å |
| 396 | E | 88.6 | Confident | 90.7 | Very high | 88 Ų | 88 | 65.8 Ų | 65.8 | 41% | 0.411 | 34% | 0.34 | S | S | . | . | trans | 38.7 | 50.9 | -175.8 | -62.3 | 179.7 | 163.6 | 0 | 0 | 113 | S393 H394 K424 R455 | S393-E396 PolarHBondContact O-N 3.33Å; H394-E396 VanDerWaalsContact C-N 3.31Å; E396-K424 IonicContact OE1-NZ 2.85Å; E396-K424 PolarHBondContact OE1-NZ 3.02Å; E396-K424 WeakPolarHBondContact OE2-CE 3.43Å; E396-K424 IonicContact OE2-NZ 3.3Å; E396-K424 PolarHBondContact OE2-NZ 3.47Å; E396-R455 PolarHBondContact O-NH2 3.04Å | ||
| 397 | P | 90.1 | Very high | 90.8 | Very high | 27 Ų | 27 | 67.7 Ų | 67.7 | 18% | 0.175 | 35% | 0.346 | C | S | . | . | trans | -73.3 | 144.3 | -171.9 | 32.5 | -36.5 | 0 | 0 | 0 | 111.3 | L391 L395 A401 I402 | L391-P397 HydrophobicContact CB-CB 4.33Å; L391-P397 HydrophobicContact CB-CG 4.15Å; L391-P397 HydrophobicContact CD1-CB 3.63Å; L391-P397 HydrophobicContact CD1-CG 4.33Å; L395-P397 VanDerWaalsContact C-CD 3.41Å; L395-P397 VanDerWaalsContact C-N 3.28Å; L395-P397 VanDerWaalsContact O-N 3.12Å; P397-A401 HydrophobicContact CB-CB 4.4Å; P397-I402 HydrophobicContact CB-CG1 4.11Å; P397-I402 HydrophobicContact CG-CD1 4.21Å; P397-I402 HydrophobicContact CG-CG1 4.09Å | ||
| 398 | T | 92.3 | Very high | 90.9 | Very high | 49 Ų | 49 | 68.8 Ų | 68.8 | 30% | 0.301 | 35% | 0.352 | S | S | . | . | trans | -74 | 158.5 | 172.7 | 61.8 | 0 | 0 | 0 | 0 | 110.8 | H400 A401 I402 | T398-H400 PolarHBondContact O-N 3.06Å; T398-A401 PolarHBondContact O-N 3.33Å; T398-A401 WeakPolarHBondContact OG1-CB 3.23Å; T398-A401 PolarHBondContact OG1-N 2.73Å; T398-I402 WeakPolarHBondContact O-CG1 3.36Å; T398-I402 PolarHBondContact O-N 3.2Å | ||
| 399 | N | 93.6 | Very high | 91 | Very high | 138 Ų | 138 | 69.7 Ų | 69.7 | 74% | 0.738 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -55.3 | -35.1 | 169.9 | -68 | -9.4 | 0 | 0 | 0 | 111.6 | I402 I403 | N399-I402 PolarHBondContact O-N 2.86Å; N399-I403 WeakPolarHBondContact O-CG1 3.21Å; N399-I403 PolarHBondContact O-N 3.08Å |
| 400 | H | 94.1 | Very high | 91.3 | Very high | 130 Ų | 130 | 72 Ų | 72 | 60% | 0.602 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.7 | -53.2 | 172.1 | -177.1 | -90.3 | 0 | 0 | 0 | 111.7 | T398 I402 I403 Q404 | T398-H400 PolarHBondContact O-N 3.06Å; H400-I402 VanDerWaalsContact C-N 3.3Å; H400-I402 PolarHBondContact O-N 2.94Å; H400-I403 PolarHBondContact O-N 2.03Å; H400-Q404 PolarHBondContact CE1-OE1 2.82Å; H400-Q404 PolarHBondContact ND1-OE1 2.96Å; H400-Q404 VanDerWaalsContact O-CB 3.28Å; H400-Q404 WeakPolarHBondContact O-CB 3.44Å; H400-Q404 PolarHBondContact O-N 2.86Å |
| 401 | A | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L391 P397 T398 T405 S418 C454 | L391-A401 HydrophobicContact CD1-CB 4.2Å; P397-A401 HydrophobicContact CB-CB 4.4Å; T398-A401 PolarHBondContact O-N 3.33Å; T398-A401 WeakPolarHBondContact OG1-CB 3.23Å; T398-A401 PolarHBondContact OG1-N 2.73Å; A401-T405 WeakPolarHBondContact O-CB 3.43Å; A401-T405 PolarHBondContact O-N 2.86Å; A401-T405 PolarHBondContact O-OG1 2.73Å; A401-S418 WeakPolarHBondContact CA-OG 3.15Å; A401-S418 PolarHBondContact O-OG 2.86Å; A401-C454 WeakPolarHBondContact CB-O 3.35Å |
| 402 | I | 94.1 | Very high | 91.6 | Very high | 62 Ų | 62 | 74.6 Ų | 74.6 | 32% | 0.318 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 175.3 | -65.7 | 166.4 | 0 | 0 | 0 | 110.8 | L391 P397 T398 N399 H400 L406 | L391-I402 HydrophobicContact CD1-CG1 4.21Å; P397-I402 HydrophobicContact CB-CG1 4.11Å; P397-I402 HydrophobicContact CG-CD1 4.21Å; P397-I402 HydrophobicContact CG-CG1 4.09Å; T398-I402 WeakPolarHBondContact O-CG1 3.36Å; T398-I402 PolarHBondContact O-N 3.2Å; N399-I402 PolarHBondContact O-N 2.86Å; H400-I402 VanDerWaalsContact C-N 3.3Å; H400-I402 PolarHBondContact O-N 2.94Å; I402-L406 WeakPolarHBondContact O-CB 3.36Å; I402-L406 PolarHBondContact O-N 3.09Å |
| 403 | I | 94.8 | Very high | 91.9 | Very high | 96 Ų | 96 | 70.6 Ų | 70.6 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.1 | -45 | -179.6 | -66 | -65.3 | 0 | 0 | 0 | 111.4 | N399 H400 T405 L406 M407 | N399-I403 WeakPolarHBondContact O-CG1 3.21Å; N399-I403 PolarHBondContact O-N 3.08Å; H400-I403 PolarHBondContact O-N 2.03Å; I403-T405 PolarHBondContact O-N 2.78Å; I403-L406 PolarHBondContact O-N 3.34Å; I403-M407 HydrophobicContact CG2-CG 4.47Å; I403-M407 HydrophobicContact CG2-SD 3.95Å; I403-M407 WeakPolarHBondContact O-CB 3.1Å; I403-M407 WeakPolarHBondContact O-CG 3.46Å; I403-M407 PolarHBondContact O-N 3.24Å |
| 404 | Q | 94.5 | Very high | 92.5 | Very high | 31 Ų | 31 | 69.2 Ų | 69.2 | 15% | 0.145 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60 | -45 | 176.3 | -179.4 | -175.4 | -11.3 | 0 | 0 | 111.4 | H400 M407 N408 T415 P416 P417 S418 | H400-Q404 PolarHBondContact CE1-OE1 2.82Å; H400-Q404 PolarHBondContact ND1-OE1 2.96Å; H400-Q404 VanDerWaalsContact O-CB 3.28Å; H400-Q404 WeakPolarHBondContact O-CB 3.44Å; H400-Q404 PolarHBondContact O-N 2.86Å; Q404-M407 PolarHBondContact O-N 2.71Å; Q404-N408 VanDerWaalsContact O-CB 3.3Å; Q404-N408 WeakPolarHBondContact O-CB 3.12Å; Q404-N408 PolarHBondContact O-N 2.84Å; Q404-T415 HydrophobicContact CG-CG2 4.06Å; Q404-P416 WeakPolarHBondContact CG-O 3Å; Q404-P416 PolarHBondContact NE2-O 3.26Å; Q404-P417 PolarHBondContact NE2-O 2.88Å; Q404-S418 PolarHBondContact OE1-OG 2.03Å |
| 405 | T | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 177.5 | -66.6 | 0 | 0 | 0 | 0 | 112 | C387 F389 L391 A401 I403 S409 S418 | C387-T405 WeakPolarHBondContact O-CG2 3.34Å; F389-T405 HydrophobicContact CB-CG2 3.87Å; F389-T405 HydrophobicContact CD2-CG2 4.43Å; L391-T405 HydrophobicContact CD1-CG2 4.4Å; L391-T405 HydrophobicContact CD2-CG2 3.85Å; L391-T405 HydrophobicContact CG-CG2 3.89Å; A401-T405 WeakPolarHBondContact O-CB 3.43Å; A401-T405 PolarHBondContact O-N 2.86Å; A401-T405 PolarHBondContact O-OG1 2.73Å; I403-T405 PolarHBondContact O-N 2.78Å; T405-S409 WeakPolarHBondContact O-CB 3.18Å; T405-S409 PolarHBondContact O-N 2.94Å; T405-S418 WeakPolarHBondContact OG1-CB 3.44Å; T405-S418 PolarHBondContact OG1-OG 3.07Å |
| 406 | L | 94.2 | Very high | 93.2 | Very high | 56 Ų | 56 | 67.7 Ų | 67.7 | 29% | 0.293 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 172.2 | 174.6 | 58.8 | 0 | 0 | 0 | 111.1 | F389 I402 I403 S409 M410 | F389-L406 HydrophobicContact CD1-CD1 4.43Å; F389-L406 HydrophobicContact CD2-CB 3.86Å; F389-L406 HydrophobicContact CD2-CD1 4.12Å; F389-L406 HydrophobicContact CE1-CD1 4.2Å; F389-L406 HydrophobicContact CE2-CB 3.9Å; F389-L406 HydrophobicContact CE2-CD1 3.89Å; F389-L406 HydrophobicContact CE2-CG 4.33Å; F389-L406 HydrophobicContact CG-CD1 4.4Å; F389-L406 HydrophobicContact CZ-CD1 3.93Å; I402-L406 WeakPolarHBondContact O-CB 3.36Å; I402-L406 PolarHBondContact O-N 3.09Å; I403-L406 PolarHBondContact O-N 3.34Å; L406-S409 PolarHBondContact O-N 3.2Å; L406-S409 VanDerWaalsContact O-N 3.1Å; L406-S409 PolarHBondContact O-OG 2.81Å; L406-M410 HydrophobicContact CG-CE 4.24Å; L406-M410 PolarHBondContact O-N 2.03Å |
| 407 | M | 95 | Very high | 93.4 | Very high | 88 Ų | 88 | 66.8 Ų | 66.8 | 43% | 0.433 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 177.8 | -74.7 | 177.1 | 64.5 | 0 | 0 | 112.3 | I403 Q404 S409 M410 D411 T415 | I403-M407 HydrophobicContact CG2-CG 4.47Å; I403-M407 HydrophobicContact CG2-SD 3.95Å; I403-M407 WeakPolarHBondContact O-CB 3.1Å; I403-M407 WeakPolarHBondContact O-CG 3.46Å; I403-M407 PolarHBondContact O-N 3.24Å; Q404-M407 PolarHBondContact O-N 2.71Å; M407-S409 PolarHBondContact O-N 3.19Å; M407-M410 HydrophobicContact CG-CE 4.22Å; M407-M410 PolarHBondContact O-N 3.44Å; M407-D411 PolarHBondContact O-N 2.97Å; M407-T415 HydrophobicContact CB-CG2 3.79Å |
| 408 | N | 94.6 | Very high | 93.5 | Very high | 26 Ų | 26 | 65.8 Ų | 65.8 | 14% | 0.139 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.1 | -31.6 | 172.5 | 175.1 | -102.8 | 0 | 0 | 0 | 112.9 | Q404 M410 D411 P412 T415 | Q404-N408 VanDerWaalsContact O-CB 3.3Å; Q404-N408 WeakPolarHBondContact O-CB 3.12Å; Q404-N408 PolarHBondContact O-N 2.84Å; N408-M410 VanDerWaalsContact C-N 3.32Å; N408-D411 CarbonylContact O-C 3.57Å; N408-P412 WeakPolarHBondContact O-CA 3.15Å; N408-P412 WeakPolarHBondContact O-CB 3Å; N408-P412 VanDerWaalsContact O-CD 3.31Å; N408-P412 WeakPolarHBondContact O-CD 3.46Å; N408-P412 VanDerWaalsContact O-N 3.16Å; N408-T415 HydrophobicContact CB-CG2 4.21Å; N408-T415 PolarHBondContact ND2-O 2.88Å |
| 409 | S | 93.6 | Very high | 93.7 | Very high | 63 Ų | 63 | 67.2 Ų | 67.2 | 44% | 0.441 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -74.1 | -20.5 | 175.1 | 78 | 0 | 0 | 0 | 0 | 114.2 | T405 L406 M407 | T405-S409 WeakPolarHBondContact O-CB 3.18Å; T405-S409 PolarHBondContact O-N 2.94Å; L406-S409 PolarHBondContact O-N 3.2Å; L406-S409 VanDerWaalsContact O-N 3.1Å; L406-S409 PolarHBondContact O-OG 2.81Å; M407-S409 PolarHBondContact O-N 3.19Å |
| 410 | M | 94.5 | Very high | 93.8 | Very high | 137 Ų | 137 | 61.8 Ų | 61.8 | 68% | 0.675 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -90.9 | -44.8 | 174.9 | -63.9 | -174.7 | -64.8 | 0 | 0 | 111.8 | L406 M407 N408 | L406-M410 HydrophobicContact CG-CE 4.24Å; L406-M410 PolarHBondContact O-N 2.03Å; M407-M410 HydrophobicContact CG-CE 4.22Å; M407-M410 PolarHBondContact O-N 3.44Å; N408-M410 VanDerWaalsContact C-N 3.32Å |
| 411 | D | 93.2 | Very high | 93.9 | Very high | 76 Ų | 76 | 57.9 Ų | 57.9 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | trans | -141.5 | 93.9 | 174.6 | -179.8 | 12.8 | 0 | 0 | 0 | 111.5 | M407 N408 G413 S414 T415 | M407-D411 PolarHBondContact O-N 2.97Å; N408-D411 CarbonylContact O-C 3.57Å; D411-G413 PolarHBondContact O-N 2.93Å; D411-G413 WeakPolarHBondContact OD1-CA 3.38Å; D411-G413 PolarHBondContact OD1-N 3.06Å; D411-S414 PolarHBondContact O-N 3.32Å; D411-S414 PolarHBondContact OD1-N 2.72Å; D411-S414 WeakPolarHBondContact OD2-CB 3.46Å; D411-S414 PolarHBondContact OD2-N 3.47Å; D411-S414 PolarHBondContact OD2-OG 3.49Å; D411-T415 PolarHBondContact O-N 2.9Å | ||
| 412 | P | 90.9 | Very high | 94 | Very high | 93 Ų | 93 | 60.7 Ų | 60.7 | 60% | 0.604 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -1.6 | 175.3 | 31.4 | -35 | 0 | 0 | 0 | 113.3 | N408 | N408-P412 WeakPolarHBondContact O-CA 3.15Å; N408-P412 WeakPolarHBondContact O-CB 3Å; N408-P412 VanDerWaalsContact O-CD 3.31Å; N408-P412 WeakPolarHBondContact O-CD 3.46Å; N408-P412 VanDerWaalsContact O-N 3.16Å |
| 413 | G | 92.8 | Very high | 94 | Very high | 75 Ų | 75 | 59.5 Ų | 59.5 | 77% | 0.773 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -28.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D411 | D411-G413 PolarHBondContact O-N 2.93Å; D411-G413 WeakPolarHBondContact OD1-CA 3.38Å; D411-G413 PolarHBondContact OD1-N 3.06Å |
| 414 | S | 94.1 | Very high | 94 | Very high | 82 Ų | 82 | 59 Ų | 59 | 57% | 0.573 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -29.7 | 175.9 | 61.1 | 0 | 0 | 0 | 0 | 114.1 | D411 | D411-S414 PolarHBondContact O-N 3.32Å; D411-S414 PolarHBondContact OD1-N 2.72Å; D411-S414 WeakPolarHBondContact OD2-CB 3.46Å; D411-S414 PolarHBondContact OD2-N 3.47Å; D411-S414 PolarHBondContact OD2-OG 3.49Å |
| 415 | T | 92.9 | Very high | 94 | Very high | 18 Ų | 18 | 60.7 Ų | 60.7 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -113.8 | 125.5 | -175.9 | -53 | 0 | 0 | 0 | 0 | 111.7 | Q404 M407 N408 D411 | Q404-T415 HydrophobicContact CG-CG2 4.06Å; M407-T415 HydrophobicContact CB-CG2 3.79Å; N408-T415 HydrophobicContact CB-CG2 4.21Å; N408-T415 PolarHBondContact ND2-O 2.88Å; D411-T415 PolarHBondContact O-N 2.9Å |
| 416 | P | 93.3 | Very high | 93.9 | Very high | 86 Ų | 86 | 63.3 Ų | 63.3 | 56% | 0.558 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 148.4 | 175.1 | 30.1 | -34.4 | 0 | 0 | 0 | 111.8 | Q404 | Q404-P416 WeakPolarHBondContact CG-O 3Å; Q404-P416 PolarHBondContact NE2-O 3.26Å |
| 417 | P | 91 | Very high | 93.8 | Very high | 69 Ų | 69 | 62 Ų | 62 | 45% | 0.448 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 151.8 | 175.3 | 30.3 | -35.5 | 0 | 0 | 0 | 111.6 | Q404 | Q404-P417 PolarHBondContact NE2-O 2.88Š|
| 418 | S | 94 | Very high | 93.6 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 149.2 | 168.9 | -69.3 | 0 | 0 | 0 | 0 | 111.3 | C387 A401 Q404 T405 R455 | C387-S418 WeakPolarHBondContact CB-O 3.33Å; A401-S418 WeakPolarHBondContact CA-OG 3.15Å; A401-S418 PolarHBondContact O-OG 2.86Å; Q404-S418 PolarHBondContact OE1-OG 2.03Å; T405-S418 WeakPolarHBondContact OG1-CB 3.44Å; T405-S418 PolarHBondContact OG1-OG 3.07Å; S418-R455 CarbonylContact C-O 3.57Å; S418-R455 WeakPolarHBondContact CA-O 3.03Å; S418-R455 VanDerWaalsContact CB-O 3.26Å; S418-R455 WeakPolarHBondContact CB-O 3.44Å |
| 419 | C | 94.8 | Very high | 93.5 | Very high | 79 Ų | 79 | 57.3 Ų | 57.3 | 53% | 0.534 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 141.9 | -173.9 | -70.3 | 0 | 0 | 0 | 0 | 111.8 | V421 C454 R455 | C419-V421 HydrophobicContact CB-CG1 3.92Å; C419-C454 WeakPolarHBondContact O-CA 3.4Å; C419-R455 PolarHBondContact N-O 3.45Å; C419-R455 PolarHBondContact O-N 3.41Å |
| 420 | C | 95.7 | Very high | 93.5 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 17% | 0.169 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 112 | 168.5 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | C354 G385 G453 | C354-C420 WeakPolarHBondContact CA-SG 3.3Å; C354-C420 HydrophobicContact CB-CB 3.61Å; C354-C420 WeakPolarHBondContact CB-SG 3.02Å; C354-C420 WeakPolarHBondContact SG-CA 3.23Å; C354-C420 WeakPolarHBondContact SG-CB 3Å; C354-C420 CovalentContact SG-SG 2.03Å; C354-C420 PolarHBondContact SG-SG 2.77Å; G385-C420 WeakPolarHBondContact O-CB 3.49Å; C420-G453 WeakPolarHBondContact CA-O 3.34Å |
| 421 | V | 96.8 | Very high | 93.6 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 29% | 0.291 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 159.1 | -172 | -64.8 | 0 | 0 | 0 | 0 | 111.5 | C419 T423 C452 G453 R455 | C419-V421 HydrophobicContact CB-CG1 3.92Å; V421-T423 PolarHBondContact O-N 2.82Å; V421-C452 WeakPolarHBondContact O-CA 3.45Å; V421-G453 PolarHBondContact N-O 2.81Å; V421-G453 PolarHBondContact O-N 3.03Å; V421-R455 HydrophobicContact CG2-CB 3.79Å; V421-R455 HydrophobicContact CG2-CG 3.49Å; V421-R455 VanDerWaalsContact CG2-CG 3.49Å |
| 422 | P | 96.5 | Very high | 93.6 | Very high | 59 Ų | 59 | 44.8 Ų | 44.8 | 38% | 0.383 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 137.5 | 169.1 | -23.2 | 34.3 | 0 | 0 | 0 | 111 | C383 L425 V449 | C383-P422 VanDerWaalsContact SG-CA 3.52Å; P422-L425 HydrophobicContact CB-CD1 4.4Å; P422-L425 HydrophobicContact CB-CD2 3.87Å; P422-L425 HydrophobicContact CB-CG 4.05Å; P422-L425 HydrophobicContact CG-CD2 4.34Å; P422-V449 HydrophobicContact CB-CG1 4.3Å; P422-V449 HydrophobicContact CB-CG2 4.28Å; P422-V449 HydrophobicContact CG-CG2 3.93Å |
| 423 | T | 94.6 | Very high | 93.7 | Very high | 36 Ų | 36 | 41.8 Ų | 41.8 | 22% | 0.221 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -23.3 | 175.5 | 43.1 | 0 | 0 | 0 | 0 | 112.9 | V421 S451 | V421-T423 PolarHBondContact O-N 2.82Å; T423-S451 PolarHBondContact N-O 3.3Å; T423-S451 PolarHBondContact OG1-O 3.26Å; T423-S451 PolarHBondContact OG1-OG 2.98Å; T423-S451 VanDerWaalsContact OG1-OG 3.06Å |
| 424 | K | 94.3 | Very high | 93.6 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 133.5 | 168.8 | -57.1 | 171.4 | -168.7 | 162 | 0 | 108 | E396 E450 S451 | E396-K424 IonicContact OE1-NZ 2.85Å; E396-K424 PolarHBondContact OE1-NZ 3.02Å; E396-K424 WeakPolarHBondContact OE2-CE 3.43Å; E396-K424 IonicContact OE2-NZ 3.3Å; E396-K424 PolarHBondContact OE2-NZ 3.47Å; K424-E450 HydrophobicContact CB-CB 4.05Å; K424-E450 WeakPolarHBondContact CB-OE2 3.47Å; K424-E450 WeakPolarHBondContact O-CB 3.42Å; K424-E450 PolarHBondContact O-N 2.85Å; K424-S451 WeakPolarHBondContact CB-OG 3.38Å; K424-S451 WeakPolarHBondContact CG-OG 3.38Å; K424-S451 PolarHBondContact N-OG 2.95Å; K424-S451 PolarHBondContact O-N 2.67Å |
| 425 | L | 93.6 | Very high | 93.3 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 35% | 0.346 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 148.6 | 177.5 | -65.6 | 154.8 | 0 | 0 | 0 | 107.9 | P422 D446 V448 V449 | P422-L425 HydrophobicContact CB-CD1 4.4Å; P422-L425 HydrophobicContact CB-CD2 3.87Å; P422-L425 HydrophobicContact CB-CG 4.05Å; P422-L425 HydrophobicContact CG-CD2 4.34Å; L425-D446 HydrophobicContact CB-CB 4.41Å; L425-D446 HydrophobicContact CD1-CB 3.96Å; L425-V448 CarbonylContact C-O 3.58Å; L425-V448 WeakPolarHBondContact CA-O 3.43Å; L425-V449 HydrophobicContact CD2-CB 4.48Å; L425-V449 HydrophobicContact CD2-CG2 3.91Å |
| 426 | T | 92.1 | Very high | 93 | Very high | 55 Ų | 55 | 37.5 Ų | 37.5 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 150.5 | 174.3 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | M447 V448 E450 | T426-M447 PolarHBondContact O-N 3.5Å; T426-V448 PolarHBondContact N-O 2.87Å; T426-V448 PolarHBondContact O-N 3.2Å; T426-V448 WeakPolarHBondContact OG1-CB 3.28Å; T426-E450 HydrophobicContact CG2-CB 4.27Å |
| 427 | P | 91.3 | Very high | 92.9 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 168.7 | 174 | 28.9 | -36.1 | 0 | 0 | 0 | 112.3 | Q443 Y444 | P427-Q443 HydrophobicContact CB-CG 3.74Å; P427-Q443 HydrophobicContact CG-CG 4.37Å; P427-Y444 CarbonylContact C-O 3.56Å; P427-Y444 WeakPolarHBondContact CA-O 3.43Å; P427-Y444 WeakPolarHBondContact CB-O 3.31Å |
| 428 | I | 91.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 35.1 Ų | 35.1 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.7 | 157.4 | 66.8 | 177.4 | 0 | 0 | 0 | 111.8 | E109 Y378 I430 Y444 M447 V448 | E109-I428 WeakPolarHBondContact OE1-CA 3.45Å; Y378-I428 HydrophobicContact CD1-CD1 3.98Å; Y378-I428 HydrophobicContact CD2-CD1 4.03Å; Y378-I428 HydrophobicContact CD2-CG2 4.16Å; Y378-I428 HydrophobicContact CE1-CD1 3.84Å; Y378-I428 HydrophobicContact CE2-CD1 3.9Å; Y378-I428 HydrophobicContact CE2-CG2 4.38Å; Y378-I428 HydrophobicContact CG-CD1 4.08Å; I428-I430 HydrophobicContact CD1-CD1 4.03Å; I428-I430 HydrophobicContact CD1-CG1 4.14Å; I428-I430 HydrophobicContact CG1-CD1 4.25Å; I428-I430 HydrophobicContact CG1-CG1 4.06Å; I428-Y444 PolarHBondContact N-O 3.1Å; I428-Y444 PolarHBondContact O-N 3.48Å; I428-M447 HydrophobicContact CB-CB 4.47Å; I428-M447 HydrophobicContact CD1-CB 4.19Å; I428-M447 HydrophobicContact CD1-CE 3.68Å; I428-M447 HydrophobicContact CD1-CG 4.45Å; I428-M447 HydrophobicContact CG1-CB 3.82Å; I428-M447 HydrophobicContact CG1-CE 4.19Å; I428-M447 HydrophobicContact CG1-CG 4.01Å; I428-M447 HydrophobicContact CG2-CB 4.19Å; I428-V448 HydrophobicContact CG2-CB 4.5Å; I428-V448 HydrophobicContact CG2-CG2 3.42Å; I428-V448 VanDerWaalsContact CG2-CG2 3.42Å |
| 429 | S | 92.5 | Very high | 93 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 130.9 | 167.7 | -66.5 | 0 | 0 | 0 | 0 | 111.2 | E109 P375 Y441 | E109-S429 PolarHBondContact OE1-N 3.36Å; E109-S429 PolarHBondContact OE1-OG 3.27Å; E109-S429 PolarHBondContact OE2-N 2.85Å; E109-S429 PolarHBondContact OE2-OG 2.78Å; P375-S429 WeakPolarHBondContact CD-O 3.45Å; S429-Y441 PolarHBondContact OG-OH 3.31Å |
| 430 | I | 93.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 142.9 | 174.4 | -53 | -175.6 | 0 | 0 | 0 | 109.8 | L289 F363 I372 A374 I428 Y432 Y441 K442 Y444 | L289-I430 HydrophobicContact CD1-CD1 4.33Å; L289-I430 HydrophobicContact CD2-CD1 4.18Å; F363-I430 HydrophobicContact CZ-CD1 4.34Å; I372-I430 HydrophobicContact CG2-CG2 4.13Å; A374-I430 CarbonylContact O-C 3.58Å; A374-I430 WeakPolarHBondContact O-CA 3.42Å; I428-I430 HydrophobicContact CD1-CD1 4.03Å; I428-I430 HydrophobicContact CD1-CG1 4.14Å; I428-I430 HydrophobicContact CG1-CD1 4.25Å; I428-I430 HydrophobicContact CG1-CG1 4.06Å; I430-Y432 HydrophobicContact CG2-CD1 4.2Å; I430-Y441 CarbonylContact O-C 3.53Å; I430-Y441 WeakPolarHBondContact O-CA 3.09Å; I430-K442 PolarHBondContact N-O 3.1Å; I430-K442 PolarHBondContact O-N 3.01Å; I430-Y444 HydrophobicContact CB-CD2 4.22Å; I430-Y444 HydrophobicContact CB-CE2 4.23Å; I430-Y444 HydrophobicContact CD1-CD2 3.62Å; I430-Y444 HydrophobicContact CD1-CE2 3.96Å; I430-Y444 HydrophobicContact CG1-CD2 3.93Å; I430-Y444 HydrophobicContact CG1-CE2 4.35Å |
| 431 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.6 | 170.4 | -173.6 | 75.8 | 0 | 0 | 0 | 108.7 | M98 L99 Y102 I373 A374 V439 V440 | M98-L431 HydrophobicContact CB-CD1 4.41Å; L99-L431 HydrophobicContact CD2-CD2 3.7Å; Y102-L431 HydrophobicContact CD2-CB 3.73Å; Y102-L431 HydrophobicContact CE2-CB 4.44Å; Y102-L431 HydrophobicContact CG-CB 3.94Å; Y102-L431 HydrophobicContact CG-CD2 4.36Å; I373-L431 WeakPolarHBondContact CA-O 3.39Å; I373-L431 HydrophobicContact CB-CB 4.48Å; I373-L431 HydrophobicContact CB-CD2 4.16Å; I373-L431 HydrophobicContact CB-CG 4.25Å; I373-L431 WeakPolarHBondContact CB-O 2.92Å; I373-L431 HydrophobicContact CD1-CD2 4.21Å; I373-L431 HydrophobicContact CD1-CG 3.99Å; I373-L431 HydrophobicContact CG2-CD2 3.9Å; I373-L431 PolarHBondContact N-O 2.86Å; A374-L431 HydrophobicContact CB-CB 4.5Å; A374-L431 PolarHBondContact N-O 2.83Å; A374-L431 VanDerWaalsContact N-O 3.07Å; A374-L431 PolarHBondContact O-N 2.91Å; L431-V439 HydrophobicContact CD1-CG1 3.64Å; L431-V439 HydrophobicContact CG-CG1 4.08Å; L431-V440 CarbonylContact C-O 3.54Å; L431-V440 WeakPolarHBondContact CA-O 3.4Å |
| 432 | Y | 94.3 | Very high | 92.6 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 5% | 0.051 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 173.4 | -174.7 | 67 | -85.2 | 0 | 0 | 0 | 112.9 | W371 I430 V439 V440 K442 Y444 | W371-Y432 HydrophobicContact CE3-CD2 4.01Å; W371-Y432 HydrophobicContact CE3-CG 4.21Å; W371-Y432 HydrophobicContact CZ3-CD2 4.1Å; W371-Y432 HydrophobicContact CZ3-CG 4.17Å; W371-Y432 CarbonylContact O-C 3.52Å; W371-Y432 VanDerWaalsContact O-CA 3.23Å; W371-Y432 WeakPolarHBondContact O-CA 3.48Å; W371-Y432 WeakPolarHBondContact O-CB 3.46Å; I430-Y432 HydrophobicContact CG2-CD1 4.2Å; Y432-V439 WeakPolarHBondContact O-CA 3.34Å; Y432-V440 HydrophobicContact CD1-CB 4.24Å; Y432-V440 HydrophobicContact CD2-CB 4.34Å; Y432-V440 HydrophobicContact CE1-CB 3.85Å; Y432-V440 HydrophobicContact CE1-CG1 3.75Å; Y432-V440 HydrophobicContact CE2-CB 3.95Å; Y432-V440 HydrophobicContact CE2-CG1 4.36Å; Y432-V440 HydrophobicContact CE2-CG2 4.16Å; Y432-V440 HydrophobicContact CG-CB 4.48Å; Y432-V440 PolarHBondContact N-O 3.35Å; Y432-V440 PolarHBondContact O-N 3.49Å; Y432-K442 HydrophobicContact CE1-CB 3.95Å; Y432-Y444 HydrophobicContact CE1-CE2 4.41Å |
| 433 | I | 93.1 | Very high | 92.3 | Very high | 30 Ų | 30 | 27.7 Ų | 27.7 | 15% | 0.154 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.7 | 175.6 | -56.7 | 161.3 | 0 | 0 | 0 | 108.4 | V92 W371 I373 N438 | V92-I433 HydrophobicContact CB-CD1 3.96Å; V92-I433 HydrophobicContact CB-CG1 4.28Å; V92-I433 HydrophobicContact CB-CG2 4.27Å; V92-I433 HydrophobicContact CG1-CG1 4.41Å; V92-I433 HydrophobicContact CG2-CG2 3.88Å; W371-I433 PolarHBondContact O-N 2.92Å; I373-I433 HydrophobicContact CD1-CG1 3.82Å; I373-I433 HydrophobicContact CG1-CD1 4.33Å; I373-I433 HydrophobicContact CG1-CG1 4.06Å; I433-N438 CarbonylContact C-O 3.54Å; I433-N438 WeakPolarHBondContact CA-O 3Å |
| 434 | D | 90.3 | Very high | 92 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.064 | 15% | 0.149 | C | C | . | . | trans | -90.3 | 168.7 | 174.5 | 78.4 | 7.5 | 0 | 0 | 0 | 113.4 | M154 G436 N437 N438 V440 | M154-D434 WeakPolarHBondContact CB-OD2 3.39Å; M154-D434 HydrophobicContact CE-CB 4.17Å; M154-D434 WeakPolarHBondContact CG-OD2 3.26Å; D434-G436 PolarHBondContact O-N 3.17Å; D434-G436 VanDerWaalsContact O-N 3.09Å; D434-G436 VanDerWaalsContact OD1-C 3.25Å; D434-G436 WeakPolarHBondContact OD1-CA 3.41Å; D434-G436 PolarHBondContact OD1-N 3.29Å; D434-N437 WeakPolarHBondContact O-CA 3.18Å; D434-N437 PolarHBondContact O-N 2.89Å; D434-N437 PolarHBondContact OD1-N 3.15Å; D434-N438 PolarHBondContact N-O 3.48Å; D434-N438 WeakPolarHBondContact OD1-CB 3.45Å; D434-N438 PolarHBondContact OD1-N 3.42Å; D434-N438 PolarHBondContact OD1-ND2 2.82Å; D434-N438 PolarHBondContact OD2-ND2 2.88Å; D434-V440 HydrophobicContact CB-CG2 4.06Å | ||
| 435 | A | 87.8 | Confident | 91.8 | Very high | 55 Ų | 55 | 26.2 Ų | 26.2 | 46% | 0.455 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -17.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M154 N437 | M154-A435 HydrophobicContact CE-CB 4.12Å; A435-N437 VanDerWaalsContact C-N 3.29Å |
| 436 | G | 87 | Confident | 91.7 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 19% | 0.186 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 0 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D434 N438 | D434-G436 PolarHBondContact O-N 3.17Å; D434-G436 VanDerWaalsContact O-N 3.09Å; D434-G436 VanDerWaalsContact OD1-C 3.25Å; D434-G436 WeakPolarHBondContact OD1-CA 3.41Å; D434-G436 PolarHBondContact OD1-N 3.29Å; G436-N438 VanDerWaalsContact C-N 3.26Å |
| 437 | N | 90.3 | Very high | 91.7 | Very high | 93 Ų | 93 | 26 Ų | 26 | 50% | 0.497 | 15% | 0.146 | S | C | . | . | S | Bend | trans | 65.8 | 22.6 | -172.1 | -62.3 | -99.8 | 0 | 0 | 0 | 114 | V92 D434 A435 | V92-N437 HydrophobicContact CG2-CB 3.71Å; D434-N437 WeakPolarHBondContact O-CA 3.18Å; D434-N437 PolarHBondContact O-N 2.89Å; D434-N437 PolarHBondContact OD1-N 3.15Å; A435-N437 VanDerWaalsContact C-N 3.29Å |
| 438 | N | 92.5 | Very high | 91.9 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 6% | 0.064 | 14% | 0.143 | C | C | . | . | trans | -86.9 | 150.8 | 173 | -47.9 | -64.6 | 0 | 0 | 0 | 110 | T128 S129 F130 I433 D434 G436 | T128-N438 HydrophobicContact CG2-CB 3.95Å; S129-N438 WeakPolarHBondContact O-CB 3.11Å; F130-N438 HydrophobicContact CD1-CB 4.37Å; F130-N438 WeakPolarHBondContact CD1-OD1 3.03Å; F130-N438 HydrophobicContact CE1-CB 4.42Å; I433-N438 CarbonylContact C-O 3.54Å; I433-N438 WeakPolarHBondContact CA-O 3Å; D434-N438 PolarHBondContact N-O 3.48Å; D434-N438 WeakPolarHBondContact OD1-CB 3.45Å; D434-N438 PolarHBondContact OD1-N 3.42Å; D434-N438 PolarHBondContact OD1-ND2 2.82Å; D434-N438 PolarHBondContact OD2-ND2 2.88Å; G436-N438 VanDerWaalsContact C-N 3.26Å | ||
| 439 | V | 94.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.03 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 128.3 | 171.6 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | V92 P94 M98 S129 I373 L431 Y432 | V92-V439 HydrophobicContact CG1-CG2 3.79Å; P94-V439 HydrophobicContact CB-CG1 4.45Å; P94-V439 HydrophobicContact CB-CG2 4.14Å; P94-V439 HydrophobicContact CG-CG2 4.32Å; M98-V439 HydrophobicContact CB-CG1 4.07Å; M98-V439 HydrophobicContact CG-CG1 4.36Å; S129-V439 PolarHBondContact N-O 3.47Å; S129-V439 PolarHBondContact OG-O 3.34Å; I373-V439 HydrophobicContact CD1-CG1 3.84Å; I373-V439 HydrophobicContact CD1-CG2 4.09Å; L431-V439 HydrophobicContact CD1-CG1 3.64Å; L431-V439 HydrophobicContact CG-CG1 4.08Å; Y432-V439 WeakPolarHBondContact O-CA 3.34Å |
| 440 | V | 93.9 | Very high | 92.2 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124.4 | -177.9 | -173.3 | 0 | 0 | 0 | 0 | 109.3 | T126 I127 T128 L431 Y432 D434 K442 | T126-V440 HydrophobicContact CG2-CG1 3.94Å; I127-V440 WeakPolarHBondContact O-CA 3.39Å; T128-V440 HydrophobicContact CG2-CG2 3.97Å; L431-V440 CarbonylContact C-O 3.54Å; L431-V440 WeakPolarHBondContact CA-O 3.4Å; Y432-V440 HydrophobicContact CD1-CB 4.24Å; Y432-V440 HydrophobicContact CD2-CB 4.34Å; Y432-V440 HydrophobicContact CE1-CB 3.85Å; Y432-V440 HydrophobicContact CE1-CG1 3.75Å; Y432-V440 HydrophobicContact CE2-CB 3.95Å; Y432-V440 HydrophobicContact CE2-CG1 4.36Å; Y432-V440 HydrophobicContact CE2-CG2 4.16Å; Y432-V440 HydrophobicContact CG-CB 4.48Å; Y432-V440 PolarHBondContact N-O 3.35Å; Y432-V440 PolarHBondContact O-N 3.49Å; D434-V440 HydrophobicContact CB-CG2 4.06Å; V440-K442 HydrophobicContact CG1-CB 4.49Å |
| 441 | Y | 93.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 136.5 | 159.1 | 162.8 | -84.2 | 0 | 0 | 0 | 108.5 | I101 Y102 Y105 T126 I127 S429 I430 | I101-Y441 HydrophobicContact CG2-CD1 4.23Å; I101-Y441 HydrophobicContact CG2-CD2 4.12Å; I101-Y441 HydrophobicContact CG2-CG 3.93Å; Y102-Y441 HydrophobicContact CD2-CD2 4.34Å; Y105-Y441 WeakPolarHBondContact CB-OH 3.45Å; Y105-Y441 HydrophobicContact CD1-CE1 4.22Å; Y105-Y441 AromaticContact CD1-CZ 3.93Å; Y105-Y441 HydrophobicContact CG-CE2 4.46Å; T126-Y441 CarbonylContact C-O 3.6Å; T126-Y441 WeakPolarHBondContact CA-O 3.4Å; I127-Y441 HydrophobicContact CB-CD1 4.11Å; I127-Y441 HydrophobicContact CD1-CD1 3.81Å; I127-Y441 HydrophobicContact CD1-CE1 4.21Å; I127-Y441 HydrophobicContact CG1-CD1 3.91Å; I127-Y441 PolarHBondContact N-O 3Å; I127-Y441 PolarHBondContact O-N 2.95Å; S429-Y441 PolarHBondContact OG-OH 3.31Å; I430-Y441 CarbonylContact O-C 3.53Å; I430-Y441 WeakPolarHBondContact O-CA 3.09Å |
| 442 | K | 91.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 140.3 | 175.5 | -169.3 | 156.2 | -177 | 170 | 0 | 112.1 | N125 T126 E292 I430 Y432 V440 Y444 | N125-K442 WeakPolarHBondContact O-CA 3.19Å; T126-K442 HydrophobicContact CG2-CD 3.97Å; T126-K442 HydrophobicContact CG2-CG 4.37Å; T126-K442 WeakPolarHBondContact OG1-CD 3.35Å; T126-K442 VanDerWaalsContact OG1-CE 3.3Å; T126-K442 WeakPolarHBondContact OG1-CE 3.37Å; E292-K442 IonicContact OE1-NZ 3.16Å; E292-K442 PolarHBondContact OE1-NZ 3.25Å; E292-K442 WeakPolarHBondContact OE2-CE 3.27Å; E292-K442 IonicContact OE2-NZ 2.86Å; E292-K442 PolarHBondContact OE2-NZ 2.88Å; I430-K442 PolarHBondContact N-O 3.1Å; I430-K442 PolarHBondContact O-N 3.01Å; Y432-K442 HydrophobicContact CE1-CB 3.95Å; V440-K442 HydrophobicContact CG1-CB 4.49Å; K442-Y444 HydrophobicContact CB-CD2 4.41Å; K442-Y444 HydrophobicContact CB-CE2 3.85Å; K442-Y444 HydrophobicContact CD-CE1 4.11Å; K442-Y444 HydrophobicContact CD-CE2 4.12Å; K442-Y444 HydrophobicContact CG-CD2 4.27Å; K442-Y444 HydrophobicContact CG-CE1 4.4Å; K442-Y444 HydrophobicContact CG-CE2 3.86Å |
| 443 | Q | 89.5 | Confident | 92.4 | Very high | 45 Ų | 45 | 31.6 Ų | 31.6 | 21% | 0.21 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 125.3 | 170.5 | -169.3 | 166.6 | 44.1 | 0 | 0 | 109.7 | E109 N125 P427 | E109-Q443 PolarHBondContact OE2-NE2 3.21Å; N125-Q443 PolarHBondContact O-N 3.06Å; P427-Q443 HydrophobicContact CB-CG 3.74Å; P427-Q443 HydrophobicContact CG-CG 4.37Å |
| 444 | Y | 90 | Very high | 92.5 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 115.4 | 178.9 | -71.6 | -83.2 | 0 | 0 | 0 | 110 | L289 E292 P427 I428 I430 Y432 K442 M447 | L289-Y444 HydrophobicContact CB-CD1 4.03Å; L289-Y444 HydrophobicContact CB-CE1 4Å; L289-Y444 HydrophobicContact CD1-CD1 4.48Å; L289-Y444 HydrophobicContact CD1-CD2 4.35Å; L289-Y444 HydrophobicContact CD1-CE1 3.96Å; L289-Y444 HydrophobicContact CD1-CE2 3.79Å; E292-Y444 WeakPolarHBondContact OE2-CE1 3.45Å; E292-Y444 PolarHBondContact OE2-OH 3.43Å; P427-Y444 CarbonylContact C-O 3.56Å; P427-Y444 WeakPolarHBondContact CA-O 3.43Å; P427-Y444 WeakPolarHBondContact CB-O 3.31Å; I428-Y444 PolarHBondContact N-O 3.1Å; I428-Y444 PolarHBondContact O-N 3.48Å; I430-Y444 HydrophobicContact CB-CD2 4.22Å; I430-Y444 HydrophobicContact CB-CE2 4.23Å; I430-Y444 HydrophobicContact CD1-CD2 3.62Å; I430-Y444 HydrophobicContact CD1-CE2 3.96Å; I430-Y444 HydrophobicContact CG1-CD2 3.93Å; I430-Y444 HydrophobicContact CG1-CE2 4.35Å; Y432-Y444 HydrophobicContact CE1-CE2 4.41Å; K442-Y444 HydrophobicContact CB-CD2 4.41Å; K442-Y444 HydrophobicContact CB-CE2 3.85Å; K442-Y444 HydrophobicContact CD-CE1 4.11Å; K442-Y444 HydrophobicContact CD-CE2 4.12Å; K442-Y444 HydrophobicContact CG-CD2 4.27Å; K442-Y444 HydrophobicContact CG-CE1 4.4Å; K442-Y444 HydrophobicContact CG-CE2 3.86Å; Y444-M447 WeakPolarHBondContact O-CG 3.3Å |
| 445 | E | 89.2 | Confident | 92.5 | Very high | 83 Ų | 83 | 34.6 Ų | 34.6 | 39% | 0.388 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 161.1 | 175.3 | -62.7 | -60.8 | 160.3 | 0 | 0 | 112.9 | M447 | E445-M447 VanDerWaalsContact C-N 3.26Å; E445-M447 WeakPolarHBondContact O-CG 3.42Å; E445-M447 PolarHBondContact O-N 2.58Å |
| 446 | D | 90.6 | Very high | 92.8 | Very high | 79 Ų | 79 | 33.6 Ų | 33.6 | 42% | 0.422 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 63.4 | 22.3 | 167.6 | -63.4 | -51.2 | 0 | 0 | 0 | 115.2 | R286 L425 | R286-D446 IonicContact CZ-OD2 4Å; R286-D446 IonicContact NH1-OD2 2.72Å; R286-D446 PolarHBondContact NH1-OD2 3.37Å; L425-D446 HydrophobicContact CB-CB 4.41Å; L425-D446 HydrophobicContact CD1-CB 3.96Å |
| 447 | M | 92.9 | Very high | 93.1 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -21.9 | -169.9 | -74.7 | -69.8 | -74.6 | 0 | 0 | 116.5 | L289 Y378 T426 I428 Y444 E445 | L289-M447 HydrophobicContact CD2-CE 3.72Å; Y378-M447 WeakPolarHBondContact OH-CE 3.32Å; T426-M447 PolarHBondContact O-N 3.5Å; I428-M447 HydrophobicContact CB-CB 4.47Å; I428-M447 HydrophobicContact CD1-CB 4.19Å; I428-M447 HydrophobicContact CD1-CE 3.68Å; I428-M447 HydrophobicContact CD1-CG 4.45Å; I428-M447 HydrophobicContact CG1-CB 3.82Å; I428-M447 HydrophobicContact CG1-CE 4.19Å; I428-M447 HydrophobicContact CG1-CG 4.01Å; I428-M447 HydrophobicContact CG2-CB 4.19Å; Y444-M447 WeakPolarHBondContact O-CG 3.3Å; E445-M447 VanDerWaalsContact C-N 3.26Å; E445-M447 WeakPolarHBondContact O-CG 3.42Å; E445-M447 PolarHBondContact O-N 2.58Å |
| 448 | V | 95.1 | Very high | 93.2 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 12% | 0.121 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.6 | -177.8 | 167.6 | 0 | 0 | 0 | 0 | 110.3 | Y378 A380 Y381 L425 T426 I428 E450 | Y378-V448 HydrophobicContact CD2-CG2 3.64Å; Y378-V448 HydrophobicContact CE2-CG2 3.63Å; A380-V448 CarbonylContact O-C 3.47Å; A380-V448 WeakPolarHBondContact O-CA 3.32Å; Y381-V448 HydrophobicContact CD2-CG1 4.2Å; L425-V448 CarbonylContact C-O 3.58Å; L425-V448 WeakPolarHBondContact CA-O 3.43Å; T426-V448 PolarHBondContact N-O 2.87Å; T426-V448 PolarHBondContact O-N 3.2Å; T426-V448 WeakPolarHBondContact OG1-CB 3.28Å; I428-V448 HydrophobicContact CG2-CB 4.5Å; I428-V448 HydrophobicContact CG2-CG2 3.42Å; I428-V448 VanDerWaalsContact CG2-CG2 3.42Å; V448-E450 PolarHBondContact O-N 3.2Å |
| 449 | V | 96.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 32.3 Ų | 32.3 | 6% | 0.061 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 116.3 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | K356 A380 Y381 P422 L425 | K356-V449 HydrophobicContact CD-CB 4.15Å; K356-V449 HydrophobicContact CD-CG1 3.87Å; K356-V449 WeakPolarHBondContact CD-O 3.44Å; K356-V449 WeakPolarHBondContact CE-O 3.36Å; K356-V449 HydrophobicContact CG-CG1 4.35Å; K356-V449 PolarHBondContact NZ-O 3.49Å; A380-V449 PolarHBondContact O-N 3.06Å; Y381-V449 WeakPolarHBondContact O-CG2 3.06Å; P422-V449 HydrophobicContact CB-CG1 4.3Å; P422-V449 HydrophobicContact CB-CG2 4.28Å; P422-V449 HydrophobicContact CG-CG2 3.93Å; L425-V449 HydrophobicContact CD2-CB 4.48Å; L425-V449 HydrophobicContact CD2-CG2 3.91Å |
| 450 | E | 94.6 | Very high | 93.2 | Very high | 105 Ų | 105 | 34 Ų | 34 | 49% | 0.491 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | -55.1 | 170.1 | -166.7 | -156.9 | 173.7 | 0 | 0 | 109.7 | K356 K424 T426 V448 | K356-E450 PolarHBondContact NZ-O 3.26Å; K424-E450 HydrophobicContact CB-CB 4.05Å; K424-E450 WeakPolarHBondContact CB-OE2 3.47Å; K424-E450 WeakPolarHBondContact O-CB 3.42Å; K424-E450 PolarHBondContact O-N 2.85Å; T426-E450 HydrophobicContact CG2-CB 4.27Å; V448-E450 PolarHBondContact O-N 3.2Å |
| 451 | S | 95 | Very high | 93.1 | Very high | 30 Ų | 30 | 36 Ų | 36 | 21% | 0.21 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 156.4 | -176.3 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | T423 K424 | T423-S451 PolarHBondContact N-O 3.3Å; T423-S451 PolarHBondContact OG1-O 3.26Å; T423-S451 PolarHBondContact OG1-OG 2.98Å; T423-S451 VanDerWaalsContact OG1-OG 3.06Å; K424-S451 WeakPolarHBondContact CB-OG 3.38Å; K424-S451 WeakPolarHBondContact CG-OG 3.38Å; K424-S451 PolarHBondContact N-OG 2.95Å; K424-S451 PolarHBondContact O-N 2.67Å |
| 452 | C | 96.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 147.8 | 178.6 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | C383 V421 | C383-C452 WeakPolarHBondContact CA-SG 3.39Å; C383-C452 HydrophobicContact CB-CB 3.78Å; C383-C452 WeakPolarHBondContact CB-SG 3.39Å; C383-C452 VanDerWaalsContact SG-CA 3.56Å; C383-C452 WeakPolarHBondContact SG-CB 3.4Å; C383-C452 CovalentContact SG-SG 2.03Å; C383-C452 PolarHBondContact SG-SG 2.97Å; V421-C452 WeakPolarHBondContact O-CA 3.45Å |
| 453 | G | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 177.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | C354 L395 C420 V421 | C354-G453 PolarHBondContact SG-O 3.04Å; L395-G453 WeakPolarHBondContact O-CA 3.17Å; C420-G453 WeakPolarHBondContact CA-O 3.34Å; V421-G453 PolarHBondContact N-O 2.81Å; V421-G453 PolarHBondContact O-N 3.03Å |
| 454 | C | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 125.4 | 177 | -65.5 | 0 | 0 | 0 | 0 | 109.8 | C387 L391 L395 A401 C419 | C387-C454 HydrophobicContact CB-CB 3.8Å; C387-C454 WeakPolarHBondContact CB-SG 3.32Å; C387-C454 WeakPolarHBondContact SG-CB 3.46Å; C387-C454 CovalentContact SG-SG 2.03Å; C387-C454 PolarHBondContact SG-SG 3.06Å; L391-C454 HydrophobicContact CD1-CB 4.03Å; L391-C454 HydrophobicContact CD2-CB 4.02Å; L395-C454 PolarHBondContact O-N 3.21Å; A401-C454 WeakPolarHBondContact CB-O 3.35Å; C419-C454 WeakPolarHBondContact O-CA 3.4Å |
| 455 | R | 91.8 | Very high | 93.8 | Very high | 105 Ų | 105 | 43.6 Ų | 43.6 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | trans | -127.9 | 0 | -178.5 | -59.6 | -64.9 | 164.7 | 134.1 | -5.6 | 111.4 | E396 S418 C419 V421 | E396-R455 PolarHBondContact O-NH2 3.04Å; S418-R455 CarbonylContact C-O 3.57Å; S418-R455 WeakPolarHBondContact CA-O 3.03Å; S418-R455 VanDerWaalsContact CB-O 3.26Å; S418-R455 WeakPolarHBondContact CB-O 3.44Å; C419-R455 PolarHBondContact N-O 3.45Å; C419-R455 PolarHBondContact O-N 3.41Å; V421-R455 HydrophobicContact CG2-CB 3.79Å; V421-R455 HydrophobicContact CG2-CG 3.49Å; V421-R455 VanDerWaalsContact CG2-CG 3.49Å |
Retrieved 455 of 455 residues in 2114.1 ms
(Link to these results)