| 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 | 44.2 | Very low | 59.7 | Low | 249 Ų | 249 | 136.5 Ų | 136.5 | 100% | 1.227 | 82% | 0.817 | S | S | * | * | 0 | 103.1 | 0 | -78.3 | 168.7 | 146.7 | 0 | 0 | 107.3 | |||||
| 2 | A | 41.6 | Very low | 60.1 | Low | 106 Ų | 106 | 140.8 Ų | 140.8 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 124 | -179 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 3 | S | 48.9 | Very low | 59.8 | Low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 124.2 | 175.8 | 39.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 4 | Q | 57.6 | Low | 59.2 | Low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75 | 145.3 | 172.7 | -72 | -168.3 | -21.2 | 0 | 0 | 111.2 | ||
| 5 | P | 67.7 | Low | 58.8 | Low | 115 Ų | 115 | 145 Ų | 145 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 153.9 | 173 | 31.4 | -32.1 | 0 | 0 | 0 | 112 | ||
| 6 | P | 69.1 | Low | 57.8 | Low | 120 Ų | 120 | 149.9 Ų | 149.9 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71 | 152.6 | -176.2 | 28.8 | -34.4 | 0 | 0 | 0 | 112.9 | ||
| 7 | P | 67 | Low | 57 | Low | 117 Ų | 117 | 149.8 Ų | 149.8 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 152 | -178.2 | 29.5 | -34.6 | 0 | 0 | 0 | 112.7 | ||
| 8 | P | 70.6 | Confident | 55.8 | Low | 114 Ų | 114 | 149 Ų | 149 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 146.6 | 179.8 | 28.6 | -34 | 0 | 0 | 0 | 112.4 | ||
| 9 | P | 70 | Confident | 55.1 | Low | 116 Ų | 116 | 145.2 Ų | 145.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 150.5 | -176.4 | 28.4 | -33.8 | 0 | 0 | 0 | 112.9 | ||
| 10 | K | 65.9 | Low | 54.1 | Low | 135 Ų | 135 | 143.4 Ų | 143.4 | 59% | 0.587 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 146.9 | -174.2 | -67.4 | 175.2 | -176.4 | 173.9 | 0 | 111.3 | W12 E13 | K10-W12 PolarHBondContact O-N 3.08Å; K10-E13 PolarHBondContact O-N 3.47Å |
| 11 | P | 54 | Low | 53.1 | Low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -0.3 | -167.2 | 26.4 | -35.4 | 0 | 0 | 0 | 116.3 | ||
| 12 | W | 64.3 | Low | 53.2 | Low | 187 Ų | 187 | 134.9 Ų | 134.9 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | -3.5 | 179.8 | 56.7 | -94.6 | 0 | 0 | 0 | 113.8 | K10 | K10-W12 PolarHBondContact O-N 3.08Š|
| 13 | E | 57 | Low | 52.9 | Low | 120 Ų | 120 | 133.1 Ų | 133.1 | 56% | 0.561 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -8.2 | 177.1 | -77 | 177.1 | 144.1 | 0 | 0 | 113.8 | K10 R15 | K10-E13 PolarHBondContact O-N 3.47Å; E13-R15 VanDerWaalsContact C-N 3.29Å; E13-R15 PolarHBondContact O-N 3.38Å |
| 14 | T | 51.5 | Low | 52.8 | Low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 11 | -174.2 | -17.5 | 0 | 0 | 0 | 0 | 115.1 | R16 | T14-R16 PolarHBondContact O-N 3.24Š|
| 15 | R | 52.3 | Low | 51.7 | Low | 239 Ų | 239 | 128.5 Ų | 128.5 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | -95.7 | 74.7 | 177.1 | -163.9 | -179.1 | -83.7 | -121.3 | 2.2 | 110.8 | E13 | E13-R15 VanDerWaalsContact C-N 3.29Å; E13-R15 PolarHBondContact O-N 3.38Å | ||
| 16 | R | 43.7 | Very low | 50.6 | Low | 224 Ų | 224 | 129.4 Ų | 129.4 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | -114.5 | 108.7 | 160.7 | -67 | -143.9 | -167.4 | -147.6 | 7.4 | 110.8 | T14 | T14-R16 PolarHBondContact O-N 3.24Š| ||
| 17 | I | 43 | Very low | 48.8 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 29.3 | 110.1 | 134.5 | -48.4 | 171.6 | 0 | 0 | 0 | 116 | ||||
| 18 | P | 36.1 | Very low | 47.9 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -77.4 | 125 | 166.4 | -5.1 | 22.5 | 0 | 0 | 0 | 110.1 | ||
| 19 | G | 42.2 | Very low | 46.1 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 118.1 | 68.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 20 | A | 35 | Very low | 44.4 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -161.2 | 102.1 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 21 | G | 34.4 | Very low | 42.9 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -165.9 | 121.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 22 | P | 45.8 | Very low | 41.8 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -91.1 | 140.8 | -168.9 | 35.2 | -31.5 | 0 | 0 | 0 | 111.6 | ||||
| 23 | G | 35.1 | Very low | 40.3 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -174.6 | 124.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 24 | P | 46 | Very low | 39.2 | Very low | 140 Ų | 140 | 131 Ų | 131 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -90.6 | 131.2 | -177.4 | 34.3 | -28.8 | 0 | 0 | 0 | 110.6 | ||||
| 25 | G | 34.8 | Very low | 38.4 | Very low | 68 Ų | 68 | 133.8 Ų | 133.8 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | trans | -170.6 | 130.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 26 | P | 44.7 | Very low | 37.5 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -96.6 | 136.5 | -165.6 | 35.6 | -31.5 | 0 | 0 | 0 | 114.1 | ||||
| 27 | G | 32.6 | Very low | 37.5 | Very low | 76 Ų | 76 | 121.1 Ų | 121.1 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | 73.2 | 166.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 28 | P | 46.6 | Very low | 37.3 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | cis | -122.7 | 161 | 15.4 | 35.3 | -18.3 | 0 | 0 | 0 | 116.3 | ||||
| 29 | T | 33.4 | Very low | 37.4 | Very low | 121 Ų | 121 | 121.9 Ų | 121.9 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -57.7 | 140.3 | 170.2 | 18.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 30 | F | 35.1 | Very low | 37 | Very low | 208 Ų | 208 | 127.8 Ų | 127.8 | 91% | 0.912 | 83% | 0.827 | S | S | * | * | trans | -130.1 | 114.1 | 144.9 | -82.7 | -80.7 | 0 | 0 | 0 | 109.7 | ||||
| 31 | Q | 32.7 | Very low | 37.1 | Very low | 172 Ų | 172 | 128.8 Ų | 128.8 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -66.9 | 157.7 | 156.8 | -71.7 | 172.9 | 3.5 | 0 | 0 | 108.7 | ||||
| 32 | S | 32.3 | Very low | 37.2 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | cis | -173.5 | 154.5 | -7 | -82.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 33 | A | 32.9 | Very low | 36.9 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -175.9 | 104.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 34 | D | 32.6 | Very low | 37.1 | Very low | 168 Ų | 168 | 135 Ų | 135 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | 43.5 | 134 | 138.5 | -62.2 | -36 | 0 | 0 | 0 | 123.7 | ||||
| 35 | L | 34.5 | Very low | 36.8 | Very low | 184 Ų | 184 | 137.2 Ų | 137.2 | 96% | 0.963 | 82% | 0.818 | S | S | * | * | trans | -77 | 139.4 | -176.5 | -68.2 | 152.9 | 0 | 0 | 0 | 112.9 | ||||
| 36 | G | 33.8 | Very low | 37.4 | Very low | 61 Ų | 61 | 139.7 Ų | 139.7 | 63% | 0.629 | 82% | 0.821 | S | S | * | * | trans | -148.5 | 134.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | T38 | G36-T38 PolarHBondContact O-N 3.5Š| ||
| 37 | P | 45 | Very low | 37.6 | Very low | 136 Ų | 136 | 138 Ų | 138 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -91.4 | 104.6 | -166 | 34.1 | -29.8 | 0 | 0 | 0 | 111 | ||||
| 38 | T | 38 | Very low | 38.3 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | trans | -129.2 | 105.8 | 166.9 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | G36 | G36-T38 PolarHBondContact O-N 3.5Š| ||
| 39 | L | 38.4 | Very low | 38.6 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | 18.5 | 108.3 | 150.8 | -78.5 | 150.5 | 0 | 0 | 0 | 116.8 | T41 | L39-T41 PolarHBondContact O-N 2.8Š| ||
| 40 | M | 33.1 | Very low | 40 | Very low | 200 Ų | 200 | 143.8 Ų | 143.8 | 99% | 0.985 | 81% | 0.813 | S | S | * | * | trans | -53.9 | 97.5 | 166.8 | -72.3 | -87.7 | 153.3 | 0 | 0 | 111.2 | ||||
| 41 | T | 37.8 | Very low | 41.7 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -92.9 | 111.6 | 159.2 | -53 | 0 | 0 | 0 | 0 | 107.4 | L39 | L39-T41 PolarHBondContact O-N 2.8Š| ||
| 42 | R | 36.8 | Very low | 43.6 | Very low | 223 Ų | 223 | 134.8 Ų | 134.8 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -43 | 132.9 | 166.8 | 168.7 | -174.8 | -95.9 | -159.7 | -6.6 | 109.5 | G44 | R42-G44 VanDerWaalsContact C-N 3.33Å; R42-G44 PolarHBondContact O-N 3.41Å | ||
| 43 | P | 37.9 | Very low | 45.9 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | trans | -70.1 | 93.7 | 174.4 | 26.8 | -29.8 | 0 | 0 | 0 | 109 | ||||
| 44 | G | 40.3 | Very low | 47.9 | Very low | 62 Ų | 62 | 132.1 Ų | 132.1 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 143.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R42 | R42-G44 VanDerWaalsContact C-N 3.33Å; R42-G44 PolarHBondContact O-N 3.41Å |
| 45 | Q | 40.3 | Very low | 49.9 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 147.9 | 178.8 | -65.2 | 172.9 | -64.3 | 0 | 0 | 111.9 | A47 | Q45-A47 PolarHBondContact O-N 3.01Š|
| 46 | P | 46.4 | Very low | 51.9 | Low | 119 Ų | 119 | 121.7 Ų | 121.7 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 124.5 | 179.7 | 24.8 | -32.3 | 0 | 0 | 0 | 109.4 | L48 | P46-L48 VanDerWaalsContact C-N 3.29Å; P46-L48 PolarHBondContact O-N 3.16Å |
| 47 | A | 49.1 | Very low | 53.9 | Low | 99 Ų | 99 | 122.9 Ų | 122.9 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -62.8 | 93.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q45 T49 | Q45-A47 PolarHBondContact O-N 3.01Å; A47-T49 PolarHBondContact O-N 3.27Å; A47-T49 VanDerWaalsContact O-N 3.15Å | ||
| 48 | L | 46.8 | Very low | 55.5 | Low | 155 Ų | 155 | 118.7 Ų | 118.7 | 81% | 0.812 | 67% | 0.668 | S | S | * | * | trans | -53 | 121.3 | 160 | -74.9 | 164 | 0 | 0 | 0 | 106.1 | P46 R50 | P46-L48 VanDerWaalsContact C-N 3.29Å; P46-L48 PolarHBondContact O-N 3.16Å; L48-R50 PolarHBondContact O-N 3.27Å | ||
| 49 | T | 52.4 | Low | 57 | Low | 133 Ų | 133 | 112.9 Ų | 112.9 | 82% | 0.816 | 63% | 0.632 | S | S | * | * | trans | -54.2 | 90.3 | 170.9 | 48.3 | 0 | 0 | 0 | 0 | 108.2 | A47 V51 | A47-T49 PolarHBondContact O-N 3.27Å; A47-T49 VanDerWaalsContact O-N 3.15Å; T49-V51 PolarHBondContact O-N 3.45Å | ||
| 50 | R | 64 | Low | 58.2 | Low | 151 Ų | 151 | 107.1 Ų | 107.1 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | trans | -76.3 | 98.6 | -177.7 | -160.6 | 177.4 | -168 | -150.5 | 0.7 | 105.5 | L48 E280 Y281 | L48-R50 PolarHBondContact O-N 3.27Å; R50-E280 IonicContact CZ-OE2 4Å; R50-E280 IonicContact NH1-OE1 3.02Å; R50-E280 IonicContact NH1-OE2 3.36Å; R50-E280 PolarHBondContact NH1-OE2 3.34Å; R50-E280 IonicContact NH2-OE2 3.65Å; R50-Y281 HydrophobicContact CB-CE1 3.91Å; R50-Y281 WeakPolarHBondContact CD-OH 3.42Å; R50-Y281 HydrophobicContact CG-CE1 3.71Å; R50-Y281 WeakPolarHBondContact CG-OH 3.39Å; R50-Y281 PolarHBondContact NE-OH 2.83Å; R50-Y281 PolarHBondContact NH1-OH 3.36Å | ||
| 51 | V | 71.4 | Confident | 59.4 | Low | 123 Ų | 123 | 103.6 Ų | 103.6 | 75% | 0.745 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 123.6 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 107.1 | T49 | T49-V51 PolarHBondContact O-N 3.45Š|
| 52 | P | 72 | Confident | 60.3 | Low | 67 Ų | 67 | 101.7 Ų | 101.7 | 44% | 0.435 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 140.8 | -175.8 | 26.4 | -34.1 | 0 | 0 | 0 | 109.5 | Y281 Y330 | P52-Y281 HydrophobicContact CB-CD1 3.94Å; P52-Y281 HydrophobicContact CB-CE1 4.41Å; P52-Y281 HydrophobicContact CB-CG 4.26Å; P52-Y330 HydrophobicContact CB-CE1 4.19Å |
| 53 | P | 79.3 | Confident | 60.9 | Low | 35 Ų | 35 | 96.9 Ų | 96.9 | 23% | 0.227 | 57% | 0.565 | C | S | . | * | P | Polyproline II helix | trans | -61.4 | 151.6 | 179.3 | 25.5 | -32.9 | 0 | 0 | 0 | 110.6 | I55 Y281 N329 Y330 | P53-I55 PolarHBondContact O-N 3.13Å; P53-Y281 HydrophobicContact CG-CE2 4.13Å; P53-N329 HydrophobicContact CG-CB 4.16Å; P53-Y330 HydrophobicContact CG-CD2 4.35Å; P53-Y330 HydrophobicContact CG-CE2 4.03Å; P53-Y330 WeakPolarHBondContact O-CE2 3.28Å; P53-Y330 PolarHBondContact O-OH 3.06Å |
| 54 | P | 76.2 | Confident | 61.2 | Low | 114 Ų | 114 | 94.1 Ų | 94.1 | 74% | 0.74 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 133.4 | 178.7 | 24.1 | -33.1 | 0 | 0 | 0 | 110.4 | ||
| 55 | I | 75.1 | Confident | 61.3 | Low | 68 Ų | 68 | 94.7 Ų | 94.7 | 35% | 0.349 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -71.6 | 131.2 | 177.9 | -56 | 169.9 | 0 | 0 | 0 | 107.5 | P53 F283 W313 Y330 | P53-I55 PolarHBondContact O-N 3.13Å; I55-F283 HydrophobicContact CD1-CE2 4.25Å; I55-W313 HydrophobicContact CG2-CH2 4.27Å; I55-W313 HydrophobicContact CG2-CZ2 4.01Å; I55-Y330 HydrophobicContact CG1-CE2 3.83Å; I55-Y330 WeakPolarHBondContact CG1-OH 3.02Å |
| 56 | L | 76 | Confident | 61.3 | Low | 65 Ų | 65 | 91.6 Ų | 91.6 | 34% | 0.34 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -64.7 | 157 | 174.1 | -65.6 | 173 | 0 | 0 | 0 | 110.1 | R58 | L56-R58 PolarHBondContact O-N 3.49Å; L56-R58 VanDerWaalsContact O-N 3.16Å |
| 57 | P | 75.9 | Confident | 61 | Low | 86 Ų | 86 | 90.1 Ų | 90.1 | 56% | 0.558 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 126.1 | 179.4 | -26.3 | 33.9 | 0 | 0 | 0 | 111.3 | Q62 W313 | P57-Q62 PolarHBondContact O-NE2 3.04Å; P57-Q62 VanDerWaalsContact O-NE2 3.1Å; P57-W313 PolarHBondContact O-NE1 2.84Å |
| 58 | R | 78.2 | Confident | 60.8 | Low | 48 Ų | 48 | 91.6 Ų | 91.6 | 18% | 0.181 | 54% | 0.544 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 144 | -174.1 | -68.2 | 179.2 | -177.8 | -118 | 7.3 | 110.8 | L56 S60 Q61 Q62 V286 E290 W313 | L56-R58 PolarHBondContact O-N 3.49Å; L56-R58 VanDerWaalsContact O-N 3.16Å; R58-S60 VanDerWaalsContact C-N 3.28Å; R58-S60 PolarHBondContact O-N 3.36Å; R58-Q61 HydrophobicContact CB-CG 4.4Å; R58-Q61 PolarHBondContact O-N 3.49Å; R58-Q62 PolarHBondContact O-N 3.25Å; R58-V286 VanDerWaalsContact NH1-CB 3.27Å; R58-E290 IonicContact CZ-OE1 2.72Å; R58-E290 IonicContact CZ-OE2 3.41Å; R58-E290 VanDerWaalsContact NH1-CD 3.28Å; R58-E290 IonicContact NH1-OE1 3.3Å; R58-E290 PolarHBondContact NH1-OE1 2.94Å; R58-E290 IonicContact NH1-OE2 3.75Å; R58-E290 PolarHBondContact NH1-OE2 3.23Å; R58-W313 HydrophobicContact CB-CH2 4.48Å; R58-W313 HydrophobicContact CB-CZ2 4.14Å; R58-W313 HydrophobicContact CG-CH2 3.95Å; R58-W313 HydrophobicContact CG-CZ2 3.8Å |
| 59 | P | 68.8 | Low | 60.4 | Low | 10 Ų | 10 | 92.1 Ų | 92.1 | 7% | 0.065 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -63.4 | -36.9 | -175.5 | -19.9 | 36 | 0 | 0 | 0 | 111.6 | Q61 Q62 T63 V310 W313 L325 | P59-Q61 PolarHBondContact O-N 3.48Å; P59-Q62 WeakPolarHBondContact O-CB 3.36Å; P59-Q62 PolarHBondContact O-N 2.79Å; P59-T63 PolarHBondContact O-N 3.24Å; P59-V310 HydrophobicContact CB-CG1 3.92Å; P59-V310 HydrophobicContact CG-CG1 3.81Å; P59-W313 VanDerWaalsContact CD-CE2 3.44Å; P59-W313 HydrophobicContact CG-CB 4.24Å; P59-W313 HydrophobicContact CG-CD2 3.55Å; P59-W313 HydrophobicContact CG-CE3 4.04Å; P59-W313 HydrophobicContact CG-CG 3.59Å; P59-W313 HydrophobicContact CG-CZ2 4.48Å; P59-L325 HydrophobicContact CB-CD1 4.09Å; P59-L325 HydrophobicContact CG-CD1 3.88Å |
| 60 | S | 63.6 | Low | 59.8 | Low | 47 Ų | 47 | 91.4 Ų | 91.4 | 33% | 0.329 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.1 | -22.8 | 175.8 | 56.7 | 0 | 0 | 0 | 0 | 114.3 | R58 T63 | R58-S60 VanDerWaalsContact C-N 3.28Å; R58-S60 PolarHBondContact O-N 3.36Å; S60-T63 PolarHBondContact O-OG1 2.71Å; S60-T63 VanDerWaalsContact O-OG1 3.14Å |
| 61 | Q | 59.9 | Low | 58.4 | Low | 125 Ų | 125 | 94.2 Ų | 94.2 | 58% | 0.584 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -86.6 | -25.2 | 174.1 | -66.4 | -178.5 | -11.1 | 0 | 0 | 111.8 | R58 P59 G64 S65 | R58-Q61 HydrophobicContact CB-CG 4.4Å; R58-Q61 PolarHBondContact O-N 3.49Å; P59-Q61 PolarHBondContact O-N 3.48Å; Q61-G64 PolarHBondContact O-N 2.81Å; Q61-S65 PolarHBondContact O-N 3.38Å; Q61-S65 PolarHBondContact O-OG 3.28Å |
| 62 | Q | 56 | Low | 56.7 | Low | 89 Ų | 89 | 99.6 Ų | 99.6 | 42% | 0.416 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -75.5 | -26.2 | -179.9 | -65 | 178.8 | 16.2 | 0 | 0 | 112.7 | P57 R58 P59 G64 | P57-Q62 PolarHBondContact O-NE2 3.04Å; P57-Q62 VanDerWaalsContact O-NE2 3.1Å; R58-Q62 PolarHBondContact O-N 3.25Å; P59-Q62 WeakPolarHBondContact O-CB 3.36Å; P59-Q62 PolarHBondContact O-N 2.79Å; Q62-G64 PolarHBondContact O-N 3.22Å |
| 63 | T | 49.6 | Very low | 55.1 | Low | 123 Ų | 123 | 102.4 Ų | 102.4 | 76% | 0.755 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | -15.2 | 174.9 | 39.5 | 0 | 0 | 0 | 0 | 113.5 | P59 S60 | P59-T63 PolarHBondContact O-N 3.24Å; S60-T63 PolarHBondContact O-OG1 2.71Å; S60-T63 VanDerWaalsContact O-OG1 3.14Å |
| 64 | G | 43.7 | Very low | 52.9 | Low | 72 Ų | 72 | 105.4 Ų | 105.4 | 74% | 0.742 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -10.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q61 Q62 | Q61-G64 PolarHBondContact O-N 2.81Å; Q62-G64 PolarHBondContact O-N 3.22Å |
| 65 | S | 42.9 | Very low | 50.9 | Low | 73 Ų | 73 | 110.8 Ų | 110.8 | 51% | 0.51 | 62% | 0.62 | S | S | . | * | trans | -124.2 | 54.8 | -173.5 | 75.7 | 0 | 0 | 0 | 0 | 112.7 | Q61 S67 | Q61-S65 PolarHBondContact O-N 3.38Å; Q61-S65 PolarHBondContact O-OG 3.28Å; S65-S67 PolarHBondContact O-N 2.9Å; S65-S67 VanDerWaalsContact O-N 3.09Å | ||
| 66 | S | 40 | Very low | 48.7 | Very low | 121 Ų | 121 | 113.3 Ų | 113.3 | 85% | 0.846 | 64% | 0.644 | S | S | * | * | trans | -82.2 | 59.7 | 163.8 | 58 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 67 | S | 39.2 | Very low | 46.9 | Very low | 88 Ų | 88 | 115.5 Ų | 115.5 | 62% | 0.615 | 67% | 0.665 | S | S | * | * | trans | -120.6 | 95.4 | 165.9 | 56.6 | 0 | 0 | 0 | 0 | 108.2 | S65 N69 | S65-S67 PolarHBondContact O-N 2.9Å; S65-S67 VanDerWaalsContact O-N 3.09Å; S67-N69 PolarHBondContact O-N 2.91Å | ||
| 68 | V | 46.3 | Very low | 44.8 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 79% | 0.794 | 68% | 0.683 | S | S | * | * | trans | 19.9 | 92.9 | 147.8 | -78.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 69 | N | 37.4 | Very low | 42.9 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | trans | -121.5 | 85 | 151.6 | -104.3 | -18.3 | 0 | 0 | 0 | 108.7 | S67 | S67-N69 PolarHBondContact O-N 2.91Š| ||
| 70 | T | 39.4 | Very low | 41.3 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | trans | -54.9 | 132.5 | 166.6 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | R72 | T70-R72 PolarHBondContact O-N 2.86Å; T70-R72 VanDerWaalsContact O-N 3.17Å | ||
| 71 | F | 36.2 | Very low | 39.8 | Very low | 209 Ų | 209 | 131.3 Ų | 131.3 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | trans | -34.5 | 115.8 | 165.9 | -90.2 | -105 | 0 | 0 | 0 | 112.1 | ||||
| 72 | R | 34.9 | Very low | 38.5 | Very low | 237 Ų | 237 | 137.2 Ų | 137.2 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -107.5 | 134.9 | 159.2 | -93.2 | -166.9 | 174 | -136.2 | 1.2 | 109.4 | T70 | T70-R72 PolarHBondContact O-N 2.86Å; T70-R72 VanDerWaalsContact O-N 3.17Å | ||
| 73 | P | 39.2 | Very low | 37.4 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -72.4 | 140.8 | 177.2 | 29.9 | -32.4 | 0 | 0 | 0 | 110.8 | Y75 | P73-Y75 PolarHBondContact O-N 3.32Š| ||
| 74 | A | 33.1 | Very low | 36.6 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -73.8 | 100.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 75 | Y | 32.6 | Very low | 36 | Very low | 227 Ų | 227 | 142.8 Ų | 142.8 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -148.9 | 99.6 | 153.6 | -102.4 | -84.6 | 0 | 0 | 0 | 108.3 | P73 | P73-Y75 PolarHBondContact O-N 3.32Š| ||
| 76 | S | 29.9 | Very low | 35.5 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | 158.8 | 95.1 | 147.8 | 45 | 0 | 0 | 0 | 0 | 109.3 | F78 | S76-F78 PolarHBondContact O-N 3.46Š| ||
| 77 | S | 38.7 | Very low | 35.3 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -58.5 | 117.2 | 155.9 | -7.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 78 | F | 30.8 | Very low | 35.1 | Very low | 215 Ų | 215 | 145.6 Ų | 145.6 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | trans | -162 | 127.9 | 137.6 | -98.2 | -71.4 | 0 | 0 | 0 | 109.5 | S76 | S76-F78 PolarHBondContact O-N 3.46Š| ||
| 79 | S | 39.3 | Very low | 34.5 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | trans | -53.7 | 136.1 | 174.9 | -179 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 80 | S | 34.2 | Very low | 34.4 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 85% | 0.846 | 83% | 0.831 | S | S | * | * | trans | -147.9 | 104.3 | 157.3 | -163.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 81 | G | 33 | Very low | 34.1 | Very low | 66 Ų | 66 | 148.5 Ų | 148.5 | 68% | 0.68 | 83% | 0.83 | S | S | * | * | 50.6 | 109.1 | 123.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 82 | Y | 33 | Very low | 33.8 | Very low | 249 Ų | 249 | 144.4 Ų | 144.4 | 98% | 0.976 | 83% | 0.827 | S | S | * | * | trans | -33.5 | 137.4 | 150.6 | -105.6 | -106.9 | 0 | 0 | 0 | 115 | ||||
| 83 | G | 32.4 | Very low | 33.8 | Very low | 70 Ų | 70 | 143.2 Ų | 143.2 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | 172.4 | 85.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 84 | A | 32.4 | Very low | 33.4 | Very low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 83% | 0.825 | S | S | * | * | 57.6 | 108 | 81.9 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 85 | Y | 30.4 | Very low | 33.9 | Very low | 245 Ų | 245 | 142.6 Ų | 142.6 | 96% | 0.961 | 81% | 0.814 | S | S | * | * | trans | 54.1 | 120.6 | 152 | -80.5 | -94.9 | 0 | 0 | 0 | 119.8 | ||||
| 86 | G | 33.5 | Very low | 34 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | 173.7 | 73.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 87 | N | 36.3 | Very low | 34.2 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -64 | 124.1 | 164.6 | -167.1 | 47.1 | 0 | 0 | 0 | 109.2 | ||||
| 88 | S | 34.8 | Very low | 34.2 | Very low | 108 Ų | 108 | 147.7 Ų | 147.7 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | trans | -155.8 | 81.3 | 158.5 | -147.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 89 | F | 33.3 | Very low | 34.4 | Very low | 184 Ų | 184 | 141 Ų | 141 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | -66.6 | 137.7 | 146.2 | -86.8 | -102.6 | 0 | 0 | 0 | 107.6 | ||||
| 90 | Y | 34.6 | Very low | 34.2 | Very low | 224 Ų | 224 | 145.1 Ų | 145.1 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | trans | 87.7 | 127 | 176.2 | -93.2 | -98.2 | 0 | 0 | 0 | 119.8 | ||||
| 91 | G | 33.9 | Very low | 34.4 | Very low | 68 Ų | 68 | 146.6 Ų | 146.6 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 94.6 | 138.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 92 | S | 30.2 | Very low | 34.6 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | cis | -165.8 | 152.9 | -2.3 | -100 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 93 | Y | 33.5 | Very low | 34.8 | Very low | 213 Ų | 213 | 143.7 Ų | 143.7 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | -42.6 | 132.9 | 160.9 | -137.2 | -108.4 | 0 | 0 | 0 | 112.2 | P95 | Y93-P95 HydrophobicContact CD1-CG 4.36Å; Y93-P95 HydrophobicContact CE1-CG 4.36Å | ||
| 94 | S | 32.4 | Very low | 34.8 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -151.8 | 108.5 | 154 | -95.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 95 | P | 42.5 | Very low | 34.9 | Very low | 90 Ų | 90 | 149.3 Ų | 149.3 | 58% | 0.584 | 81% | 0.81 | S | S | * | * | trans | -90.1 | 144.6 | 170.5 | 35.6 | -27.6 | 0 | 0 | 0 | 109.5 | Y93 | Y93-P95 HydrophobicContact CD1-CG 4.36Å; Y93-P95 HydrophobicContact CE1-CG 4.36Å | ||
| 96 | Y | 35.7 | Very low | 35.3 | Very low | 222 Ų | 222 | 144.3 Ų | 144.3 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | trans | 66.4 | 108.5 | 175.6 | -73.7 | -88.7 | 0 | 0 | 0 | 117.5 | ||||
| 97 | S | 32.4 | Very low | 35.5 | Very low | 124 Ų | 124 | 152.3 Ų | 152.3 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -140 | 98.5 | 150.2 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 98 | Y | 40.1 | Very low | 35.6 | Very low | 219 Ų | 219 | 152.2 Ų | 152.2 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -70.6 | 127.5 | 161.1 | -117.3 | -94.5 | 0 | 0 | 0 | 107.8 | ||||
| 99 | G | 34.4 | Very low | 36 | Very low | 76 Ų | 76 | 156.7 Ų | 156.7 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -154.6 | 101.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 100 | Y | 36.2 | Very low | 36.7 | Very low | 205 Ų | 205 | 152.8 Ų | 152.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -71.8 | 151.3 | 177.9 | -130.2 | -99.6 | 0 | 0 | 0 | 111.7 | ||||
| 101 | N | 37.7 | Very low | 37.1 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 73.7 | 125.9 | 163.5 | -78.6 | -17.7 | 0 | 0 | 0 | 120.1 | ||||
| 102 | G | 36.7 | Very low | 37.6 | Very low | 71 Ų | 71 | 150.7 Ų | 150.7 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | 167.1 | 46.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 103 | L | 37.9 | Very low | 39 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 96% | 0.958 | 78% | 0.778 | S | S | * | * | trans | 34.5 | 121.1 | 147 | -71.2 | 156.1 | 0 | 0 | 0 | 119.6 | ||||
| 104 | G | 32.1 | Very low | 40.4 | Very low | 60 Ų | 60 | 146.6 Ų | 146.6 | 62% | 0.619 | 77% | 0.771 | S | S | * | * | trans | 135.2 | 102.5 | 130.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 105 | Y | 33.7 | Very low | 41.8 | Very low | 215 Ų | 215 | 144.4 Ų | 144.4 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | trans | 107.4 | 110.8 | 138.8 | -67.8 | -75.8 | 0 | 0 | 0 | 119.2 | ||||
| 106 | N | 39.7 | Very low | 43.1 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 59.4 | 80.4 | 140.5 | -66.8 | -41.8 | 0 | 0 | 0 | 117.5 | ||||
| 107 | R | 37.8 | Very low | 44.9 | Very low | 248 Ų | 248 | 143 Ų | 143 | 94% | 0.936 | 75% | 0.745 | S | S | * | * | trans | -103.6 | 118.6 | 131.2 | -100.3 | -170.9 | -177.2 | -174.7 | 2.3 | 109 | R109 | R107-R109 PolarHBondContact O-N 3.14Š| ||
| 108 | L | 38.8 | Very low | 47.2 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | -35.8 | 112 | 162.5 | -88.5 | 73.8 | 0 | 0 | 0 | 109.8 | V110 | L108-V110 HydrophobicContact CB-CG2 4.18Å; L108-V110 HydrophobicContact CD2-CG2 4.25Å; L108-V110 PolarHBondContact O-N 3.07Å | ||
| 109 | R | 42.3 | Very low | 49.1 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | trans | -71.4 | 89.2 | 157 | -99.7 | -161 | 168.2 | -178.6 | 0.1 | 107.3 | R107 D112 | R107-R109 PolarHBondContact O-N 3.14Å; R109-D112 WeakPolarHBondContact CD-OD2 3.3Å; R109-D112 IonicContact CZ-OD1 2.66Å; R109-D112 VanDerWaalsContact CZ-OD1 3.3Å; R109-D112 IonicContact CZ-OD2 3.45Å; R109-D112 IonicContact NE-OD1 2.76Å; R109-D112 IonicContact NE-OD2 3.56Å; R109-D112 IonicContact NH1-OD1 3.77Å; R109-D112 PolarHBondContact NH1-OD1 2.79Å; R109-D112 IonicContact NH1-OD2 3.61Å; R109-D112 PolarHBondContact NH1-OD2 3.28Å; R109-D112 IonicContact NH2-OD1 3.1Å | ||
| 110 | V | 47.6 | Very low | 51.3 | Low | 101 Ų | 101 | 139.5 Ų | 139.5 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | trans | -82.7 | 119.5 | 159.4 | 173.9 | 0 | 0 | 0 | 0 | 105.7 | L108 | L108-V110 HydrophobicContact CB-CG2 4.18Å; L108-V110 HydrophobicContact CD2-CG2 4.25Å; L108-V110 PolarHBondContact O-N 3.07Å | ||
| 111 | D | 43.2 | Very low | 53.5 | Low | 132 Ų | 132 | 136.2 Ų | 136.2 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | 64.8 | 79.4 | 164.9 | -57.3 | -37.4 | 0 | 0 | 0 | 117.6 | L113 | D111-L113 PolarHBondContact O-N 2.99Š| ||
| 112 | D | 44.9 | Very low | 55.6 | Low | 116 Ų | 116 | 130.6 Ų | 130.6 | 62% | 0.62 | 67% | 0.673 | S | S | * | * | trans | -68 | 55.7 | 149.8 | -79.9 | -46.8 | 0 | 0 | 0 | 110.2 | R109 | R109-D112 WeakPolarHBondContact CD-OD2 3.3Å; R109-D112 IonicContact CZ-OD1 2.66Å; R109-D112 VanDerWaalsContact CZ-OD1 3.3Å; R109-D112 IonicContact CZ-OD2 3.45Å; R109-D112 IonicContact NE-OD1 2.76Å; R109-D112 IonicContact NE-OD2 3.56Å; R109-D112 IonicContact NH1-OD1 3.77Å; R109-D112 PolarHBondContact NH1-OD1 2.79Å; R109-D112 IonicContact NH1-OD2 3.61Å; R109-D112 PolarHBondContact NH1-OD2 3.28Å; R109-D112 IonicContact NH2-OD1 3.1Å | ||
| 113 | L | 58.7 | Low | 57.7 | Low | 142 Ų | 142 | 132 Ų | 132 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 120.3 | 159.2 | -138.2 | 75.6 | 0 | 0 | 0 | 105.7 | D111 P115 | D111-L113 PolarHBondContact O-N 2.99Å; L113-P115 VanDerWaalsContact O-N 3.14Å |
| 114 | P | 62.8 | Low | 59.8 | Low | 107 Ų | 107 | 130.1 Ų | 130.1 | 70% | 0.695 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 128.6 | 178.4 | 22.2 | -31.6 | 0 | 0 | 0 | 107.4 | S116 | P114-S116 PolarHBondContact O-N 3.39Š|
| 115 | P | 62.1 | Low | 62.3 | Low | 75 Ų | 75 | 131.4 Ų | 131.4 | 49% | 0.487 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -50.6 | 122.7 | 175.7 | 22.2 | -32 | 0 | 0 | 0 | 105.8 | L113 R117 Q120 | L113-P115 VanDerWaalsContact O-N 3.14Å; P115-R117 PolarHBondContact O-N 2.75Å; P115-R117 VanDerWaalsContact O-N 3.17Å; P115-Q120 HydrophobicContact CB-CB 4.41Å; P115-Q120 HydrophobicContact CG-CB 4.5Å |
| 116 | S | 69.9 | Low | 64.7 | Low | 64 Ų | 64 | 123.3 Ų | 123.3 | 45% | 0.448 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -51.5 | 133.1 | -174.8 | 59.9 | 0 | 0 | 0 | 0 | 106.9 | P114 F118 V119 Q120 | P114-S116 PolarHBondContact O-N 3.39Å; S116-F118 CarbonylContact O-C 3.42Å; S116-F118 PolarHBondContact O-N 3.39Å; S116-V119 WeakPolarHBondContact O-CA 3.41Å; S116-V119 PolarHBondContact O-N 3.32Å; S116-V119 WeakPolarHBondContact OG-CB 3.42Å; S116-V119 WeakPolarHBondContact OG-CG2 3.31Å; S116-V119 PolarHBondContact OG-N 3.01Å; S116-Q120 PolarHBondContact O-N 2.89Å |
| 117 | R | 74.9 | Confident | 66.7 | Low | 218 Ų | 218 | 123.4 Ų | 123.4 | 82% | 0.823 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -51 | -29.5 | -174.8 | -75.4 | -168.3 | 175.9 | -169.2 | -0.4 | 111.7 | P115 Q121 | P115-R117 PolarHBondContact O-N 2.75Å; P115-R117 VanDerWaalsContact O-N 3.17Å; R117-Q121 WeakPolarHBondContact O-CB 3.36Å; R117-Q121 PolarHBondContact O-N 3.44Å |
| 118 | F | 78.8 | Confident | 69.1 | Low | 169 Ų | 169 | 113.7 Ų | 113.7 | 74% | 0.741 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.7 | -48.4 | 170.3 | -175.8 | -97.5 | 0 | 0 | 0 | 113.9 | S116 A122 | S116-F118 CarbonylContact O-C 3.42Å; S116-F118 PolarHBondContact O-N 3.39Å; F118-A122 WeakPolarHBondContact O-CA 3.43Å; F118-A122 WeakPolarHBondContact O-CB 3.39Å; F118-A122 PolarHBondContact O-N 3.33Å |
| 119 | V | 81.3 | Confident | 71.4 | Confident | 75 Ų | 75 | 109 Ų | 109 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.1 | -41 | 177.4 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | S116 A122 E123 | S116-V119 WeakPolarHBondContact O-CA 3.41Å; S116-V119 PolarHBondContact O-N 3.32Å; S116-V119 WeakPolarHBondContact OG-CB 3.42Å; S116-V119 WeakPolarHBondContact OG-CG2 3.31Å; S116-V119 PolarHBondContact OG-N 3.01Å; V119-A122 PolarHBondContact O-N 2.93Å; V119-E123 VanDerWaalsContact O-CB 3.26Å; V119-E123 WeakPolarHBondContact O-CB 3.12Å; V119-E123 PolarHBondContact O-N 2.88Å |
| 120 | Q | 81 | Confident | 73.5 | Confident | 102 Ų | 102 | 105.9 Ų | 105.9 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.9 | -42.2 | 177 | -169.6 | 170.8 | 21.7 | 0 | 0 | 111.7 | P115 S116 E123 E124 | P115-Q120 HydrophobicContact CB-CB 4.41Å; P115-Q120 HydrophobicContact CG-CB 4.5Å; S116-Q120 PolarHBondContact O-N 2.89Å; Q120-E123 PolarHBondContact O-N 3.5Å; Q120-E124 VanDerWaalsContact O-CB 3.28Å; Q120-E124 WeakPolarHBondContact O-CB 3.33Å; Q120-E124 PolarHBondContact O-N 3.34Å |
| 121 | Q | 82.3 | Confident | 75.5 | Confident | 137 Ų | 137 | 107 Ų | 107 | 64% | 0.64 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.3 | -32.3 | 175.8 | -174.1 | 161.4 | -18.7 | 0 | 0 | 112.3 | R117 S125 | R117-Q121 WeakPolarHBondContact O-CB 3.36Å; R117-Q121 PolarHBondContact O-N 3.44Å; Q121-S125 WeakPolarHBondContact O-CB 3.37Å; Q121-S125 PolarHBondContact O-N 3.45Å; Q121-S125 PolarHBondContact O-OG 2.77Å |
| 122 | A | 80.3 | Confident | 77.9 | Confident | 35 Ų | 35 | 103.4 Ų | 103.4 | 29% | 0.289 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F118 V119 S125 S126 | F118-A122 WeakPolarHBondContact O-CA 3.43Å; F118-A122 WeakPolarHBondContact O-CB 3.39Å; F118-A122 PolarHBondContact O-N 3.33Å; V119-A122 PolarHBondContact O-N 2.93Å; A122-S125 WeakPolarHBondContact CA-OG 3.41Å; A122-S125 PolarHBondContact O-OG 3.32Å; A122-S126 WeakPolarHBondContact O-CB 3.31Å; A122-S126 PolarHBondContact O-N 2.81Å; A122-S126 PolarHBondContact O-OG 3.13Å |
| 123 | E | 81.9 | Confident | 80 | Confident | 101 Ų | 101 | 102.5 Ų | 102.5 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.2 | -45.4 | 175.6 | -170.6 | -174.4 | 150.8 | 0 | 0 | 111 | V119 Q120 S126 R127 | V119-E123 VanDerWaalsContact O-CB 3.26Å; V119-E123 WeakPolarHBondContact O-CB 3.12Å; V119-E123 PolarHBondContact O-N 2.88Å; Q120-E123 PolarHBondContact O-N 3.5Å; E123-S126 PolarHBondContact O-N 3.29Å; E123-R127 WeakPolarHBondContact O-CB 3.23Å; E123-R127 VanDerWaalsContact O-CG 3.25Å; E123-R127 WeakPolarHBondContact O-CG 3.28Å; E123-R127 PolarHBondContact O-N 3.01Å; E123-R127 IonicContact OE1-CZ 3.63Å; E123-R127 IonicContact OE1-NH1 2.68Å; E123-R127 PolarHBondContact OE1-NH1 3.24Å; E123-R127 IonicContact OE1-NH2 3.93Å |
| 124 | E | 82.6 | Confident | 81.6 | Confident | 143 Ų | 143 | 101.1 Ų | 101.1 | 67% | 0.668 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.8 | -39.2 | 178.5 | -168.1 | 166.9 | -161 | 0 | 0 | 112.2 | Q120 | Q120-E124 VanDerWaalsContact O-CB 3.28Å; Q120-E124 WeakPolarHBondContact O-CB 3.33Å; Q120-E124 PolarHBondContact O-N 3.34Å |
| 125 | S | 84.4 | Confident | 83.1 | Confident | 87 Ų | 87 | 99.2 Ų | 99.2 | 61% | 0.608 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.6 | -31.3 | 174.4 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | Q121 A122 | Q121-S125 WeakPolarHBondContact O-CB 3.37Å; Q121-S125 PolarHBondContact O-N 3.45Å; Q121-S125 PolarHBondContact O-OG 2.77Å; A122-S125 WeakPolarHBondContact CA-OG 3.41Å; A122-S125 PolarHBondContact O-OG 3.32Å |
| 126 | S | 84.2 | Confident | 84.6 | Confident | 44 Ų | 44 | 100.1 Ų | 100.1 | 31% | 0.308 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -87.4 | -18.4 | -179.7 | -52.3 | 0 | 0 | 0 | 0 | 113.4 | A122 E123 G128 A129 F130 | A122-S126 WeakPolarHBondContact O-CB 3.31Å; A122-S126 PolarHBondContact O-N 2.81Å; A122-S126 PolarHBondContact O-OG 3.13Å; E123-S126 PolarHBondContact O-N 3.29Å; S126-G128 VanDerWaalsContact C-N 3.27Å; S126-G128 PolarHBondContact O-N 3.04Å; S126-A129 WeakPolarHBondContact O-CA 3.49Å; S126-A129 WeakPolarHBondContact O-CB 3.21Å; S126-A129 PolarHBondContact O-N 2.95Å; S126-F130 WeakPolarHBondContact O-CD2 3.13Å; S126-F130 PolarHBondContact O-N 2.99Å |
| 127 | R | 81.8 | Confident | 85.8 | Confident | 142 Ų | 142 | 101.4 Ų | 101.4 | 54% | 0.536 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -51.7 | -43.1 | 177.6 | -96.9 | 176.8 | 146.4 | 105.2 | 10.6 | 113 | E123 F130 Q131 | E123-R127 WeakPolarHBondContact O-CB 3.23Å; E123-R127 VanDerWaalsContact O-CG 3.25Å; E123-R127 WeakPolarHBondContact O-CG 3.28Å; E123-R127 PolarHBondContact O-N 3.01Å; E123-R127 IonicContact OE1-CZ 3.63Å; E123-R127 IonicContact OE1-NH1 2.68Å; E123-R127 PolarHBondContact OE1-NH1 3.24Å; E123-R127 IonicContact OE1-NH2 3.93Å; R127-F130 PolarHBondContact O-N 3.32Å; R127-Q131 VanDerWaalsContact O-CG 3.3Å; R127-Q131 WeakPolarHBondContact O-CG 3.32Å; R127-Q131 PolarHBondContact O-N 3.5Å |
| 128 | G | 87 | Confident | 86.8 | Confident | 44 Ų | 44 | 96.6 Ų | 96.6 | 45% | 0.454 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -34.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | S126 S132 | S126-G128 VanDerWaalsContact C-N 3.27Å; S126-G128 PolarHBondContact O-N 3.04Å; G128-S132 PolarHBondContact O-N 2.88Å; G128-S132 VanDerWaalsContact O-N 3.12Å |
| 129 | A | 86.8 | Confident | 87.6 | Confident | 54 Ų | 54 | 90.9 Ų | 90.9 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.1 | -33.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S126 S132 I133 | S126-A129 WeakPolarHBondContact O-CA 3.49Å; S126-A129 WeakPolarHBondContact O-CB 3.21Å; S126-A129 PolarHBondContact O-N 2.95Å; A129-S132 PolarHBondContact O-N 3.48Å; A129-S132 PolarHBondContact O-OG 2.82Å; A129-I133 WeakPolarHBondContact O-CG1 3.37Å; A129-I133 PolarHBondContact O-N 2.86Å |
| 130 | F | 86.5 | Confident | 88.3 | Confident | 135 Ų | 135 | 94.5 Ų | 94.5 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.9 | -37.3 | 172.7 | -72.4 | -63.7 | 0 | 0 | 0 | 112.3 | S126 R127 S132 I133 E134 | S126-F130 WeakPolarHBondContact O-CD2 3.13Å; S126-F130 PolarHBondContact O-N 2.99Å; R127-F130 PolarHBondContact O-N 3.32Å; F130-S132 VanDerWaalsContact C-N 3.27Å; F130-S132 PolarHBondContact O-N 3.45Å; F130-I133 PolarHBondContact O-N 3.14Å; F130-E134 WeakPolarHBondContact O-CB 3.38Å; F130-E134 PolarHBondContact O-N 2.97Å |
| 131 | Q | 90.3 | Very high | 89 | Confident | 124 Ų | 124 | 91.5 Ų | 91.5 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.3 | -34.9 | 172 | -75 | 173.3 | -5 | 0 | 0 | 112.4 | R127 S135 | R127-Q131 VanDerWaalsContact O-CG 3.3Å; R127-Q131 WeakPolarHBondContact O-CG 3.32Å; R127-Q131 PolarHBondContact O-N 3.5Å; Q131-S135 WeakPolarHBondContact O-CB 3.49Å; Q131-S135 PolarHBondContact O-N 2.88Å; Q131-S135 PolarHBondContact O-OG 3.37Å |
| 132 | S | 92.6 | Very high | 89.7 | Confident | 57 Ų | 57 | 88.1 Ų | 88.1 | 40% | 0.399 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.7 | -39.8 | 176.4 | 69.5 | 0 | 0 | 0 | 0 | 111.7 | G128 A129 F130 S135 I136 | G128-S132 PolarHBondContact O-N 2.88Å; G128-S132 VanDerWaalsContact O-N 3.12Å; A129-S132 PolarHBondContact O-N 3.48Å; A129-S132 PolarHBondContact O-OG 2.82Å; F130-S132 VanDerWaalsContact C-N 3.27Å; F130-S132 PolarHBondContact O-N 3.45Å; S132-S135 WeakPolarHBondContact CA-OG 3.4Å; S132-S135 PolarHBondContact O-N 3.43Å; S132-S135 PolarHBondContact O-OG 3.11Å; S132-I136 WeakPolarHBondContact O-CD1 3.35Å; S132-I136 VanDerWaalsContact O-CG1 3.26Å; S132-I136 WeakPolarHBondContact O-CG1 3.39Å; S132-I136 PolarHBondContact O-N 3.04Å |
| 133 | I | 90.7 | Very high | 90.4 | Very high | 98 Ų | 98 | 90.1 Ų | 90.1 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 173.7 | -63.4 | 167.1 | 0 | 0 | 0 | 110.7 | A129 F130 S135 I136 V137 | A129-I133 WeakPolarHBondContact O-CG1 3.37Å; A129-I133 PolarHBondContact O-N 2.86Å; F130-I133 PolarHBondContact O-N 3.14Å; I133-S135 VanDerWaalsContact C-N 3.34Å; I133-S135 PolarHBondContact O-N 3.08Å; I133-I136 PolarHBondContact O-N 3.34Å; I133-V137 HydrophobicContact CG2-CG2 4.46Å; I133-V137 WeakPolarHBondContact O-CG2 3.06Å; I133-V137 PolarHBondContact O-N 2.85Å |
| 134 | E | 91.1 | Very high | 91.1 | Very high | 113 Ų | 113 | 88.7 Ų | 88.7 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 178.3 | -169.2 | 177.5 | -172 | 0 | 0 | 111.6 | F130 V137 H138 | F130-E134 WeakPolarHBondContact O-CB 3.38Å; F130-E134 PolarHBondContact O-N 2.97Å; E134-V137 PolarHBondContact O-N 3.39Å; E134-H138 WeakPolarHBondContact O-CB 3.28Å; E134-H138 PolarHBondContact O-CD2 3.26Å; E134-H138 VanDerWaalsContact O-CD2 3.23Å; E134-H138 PolarHBondContact O-N 3.39Å; E134-H138 IonicContact OE1-NE2 3.28Å |
| 135 | S | 94.3 | Very high | 91.7 | Very high | 66 Ų | 66 | 88.2 Ų | 88.2 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.3 | -36.6 | 176.2 | 66.4 | 0 | 0 | 0 | 0 | 112.9 | Q131 S132 I133 H138 A139 | Q131-S135 WeakPolarHBondContact O-CB 3.49Å; Q131-S135 PolarHBondContact O-N 2.88Å; Q131-S135 PolarHBondContact O-OG 3.37Å; S132-S135 WeakPolarHBondContact CA-OG 3.4Å; S132-S135 PolarHBondContact O-N 3.43Å; S132-S135 PolarHBondContact O-OG 3.11Å; I133-S135 VanDerWaalsContact C-N 3.34Å; I133-S135 PolarHBondContact O-N 3.08Å; S135-H138 PolarHBondContact O-N 3.39Å; S135-A139 VanDerWaalsContact O-CB 3.31Å; S135-A139 WeakPolarHBondContact O-CB 3.32Å; S135-A139 PolarHBondContact O-N 3.44Å |
| 136 | I | 94.5 | Very high | 92.2 | Very high | 94 Ų | 94 | 89.8 Ų | 89.8 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 172.9 | -68.4 | 163.9 | 0 | 0 | 0 | 110.2 | S132 I133 H138 A139 F140 | S132-I136 WeakPolarHBondContact O-CD1 3.35Å; S132-I136 VanDerWaalsContact O-CG1 3.26Å; S132-I136 WeakPolarHBondContact O-CG1 3.39Å; S132-I136 PolarHBondContact O-N 3.04Å; I133-I136 PolarHBondContact O-N 3.34Å; I136-H138 VanDerWaalsContact C-N 3.35Å; I136-H138 PolarHBondContact O-N 2.94Å; I136-A139 WeakPolarHBondContact O-CB 3Å; I136-A139 PolarHBondContact O-N 3.05Å; I136-F140 HydrophobicContact CG2-CD2 3.74Å; I136-F140 HydrophobicContact CG2-CE2 3.6Å; I136-F140 VanDerWaalsContact O-CD2 3.23Å; I136-F140 WeakPolarHBondContact O-CD2 3.11Å; I136-F140 PolarHBondContact O-N 3.08Å |
| 137 | V | 95.5 | Very high | 92.8 | Very high | 91 Ų | 91 | 93.6 Ų | 93.6 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 178 | 173 | 0 | 0 | 0 | 0 | 110.8 | I133 E134 A139 F140 A141 | I133-V137 HydrophobicContact CG2-CG2 4.46Å; I133-V137 WeakPolarHBondContact O-CG2 3.06Å; I133-V137 PolarHBondContact O-N 2.85Å; E134-V137 PolarHBondContact O-N 3.39Å; V137-A139 PolarHBondContact O-N 3.42Å; V137-F140 PolarHBondContact O-N 3.13Å; V137-A141 WeakPolarHBondContact O-CB 3.37Å; V137-A141 PolarHBondContact O-N 3.44Å |
| 138 | H | 95.6 | Very high | 93.5 | Very high | 117 Ų | 117 | 92.1 Ų | 92.1 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -37.2 | 174.3 | -82.4 | -57.5 | 0 | 0 | 0 | 112.9 | E134 S135 I136 A141 S142 | E134-H138 WeakPolarHBondContact O-CB 3.28Å; E134-H138 PolarHBondContact O-CD2 3.26Å; E134-H138 VanDerWaalsContact O-CD2 3.23Å; E134-H138 PolarHBondContact O-N 3.39Å; E134-H138 IonicContact OE1-NE2 3.28Å; S135-H138 PolarHBondContact O-N 3.39Å; I136-H138 VanDerWaalsContact C-N 3.35Å; I136-H138 PolarHBondContact O-N 2.94Å; H138-A141 PolarHBondContact O-N 2.97Å; H138-S142 WeakPolarHBondContact O-CB 3.4Å; H138-S142 PolarHBondContact O-N 2.87Å |
| 139 | A | 95.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 92.9 Ų | 92.9 | 41% | 0.405 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S135 I136 V137 A141 S142 V143 | S135-A139 VanDerWaalsContact O-CB 3.31Å; S135-A139 WeakPolarHBondContact O-CB 3.32Å; S135-A139 PolarHBondContact O-N 3.44Å; I136-A139 WeakPolarHBondContact O-CB 3Å; I136-A139 PolarHBondContact O-N 3.05Å; V137-A139 PolarHBondContact O-N 3.42Å; A139-A141 VanDerWaalsContact C-N 3.34Å; A139-A141 PolarHBondContact O-N 3.38Å; A139-S142 PolarHBondContact O-N 2.81Å; A139-S142 VanDerWaalsContact O-N 3.17Å; A139-S142 PolarHBondContact O-OG 2.91Å; A139-V143 WeakPolarHBondContact O-CG2 3.23Å; A139-V143 PolarHBondContact O-N 2.98Å |
| 140 | F | 96.1 | Very high | 94.4 | Very high | 152 Ų | 152 | 93.9 Ų | 93.9 | 67% | 0.667 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.1 | -39.9 | 174.7 | -80.3 | -69.1 | 0 | 0 | 0 | 112.8 | I136 V137 S142 V143 S144 | I136-F140 HydrophobicContact CG2-CD2 3.74Å; I136-F140 HydrophobicContact CG2-CE2 3.6Å; I136-F140 VanDerWaalsContact O-CD2 3.23Å; I136-F140 WeakPolarHBondContact O-CD2 3.11Å; I136-F140 PolarHBondContact O-N 3.08Å; V137-F140 PolarHBondContact O-N 3.13Å; F140-S142 VanDerWaalsContact C-N 3.32Å; F140-S142 PolarHBondContact O-N 2.84Å; F140-V143 PolarHBondContact O-N 3.38Å; F140-S144 PolarHBondContact O-N 3.43Å |
| 141 | A | 95.1 | Very high | 94.9 | Very high | 39 Ų | 39 | 94.2 Ų | 94.2 | 32% | 0.322 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V137 H138 A139 S144 M145 | V137-A141 WeakPolarHBondContact O-CB 3.37Å; V137-A141 PolarHBondContact O-N 3.44Å; H138-A141 PolarHBondContact O-N 2.97Å; A139-A141 VanDerWaalsContact C-N 3.34Å; A139-A141 PolarHBondContact O-N 3.38Å; A141-S144 PolarHBondContact O-N 3.39Å; A141-M145 PolarHBondContact O-N 3.29Å |
| 142 | S | 96.2 | Very high | 95.1 | Very high | 65 Ų | 65 | 90.8 Ų | 90.8 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 175.8 | 77.2 | 0 | 0 | 0 | 0 | 112.4 | H138 A139 F140 S144 M145 M146 | H138-S142 WeakPolarHBondContact O-CB 3.4Å; H138-S142 PolarHBondContact O-N 2.87Å; A139-S142 PolarHBondContact O-N 2.81Å; A139-S142 VanDerWaalsContact O-N 3.17Å; A139-S142 PolarHBondContact O-OG 2.91Å; F140-S142 VanDerWaalsContact C-N 3.32Å; F140-S142 PolarHBondContact O-N 2.84Å; S142-S144 VanDerWaalsContact C-N 3.34Å; S142-M145 PolarHBondContact O-N 3.26Å; S142-M146 VanDerWaalsContact O-CB 3.32Å; S142-M146 WeakPolarHBondContact O-CB 3.4Å; S142-M146 PolarHBondContact O-N 3.32Å |
| 143 | V | 95.9 | Very high | 95.3 | Very high | 78 Ų | 78 | 90.4 Ų | 90.4 | 47% | 0.473 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 110 | A139 F140 M146 M147 | A139-V143 WeakPolarHBondContact O-CG2 3.23Å; A139-V143 PolarHBondContact O-N 2.98Å; F140-V143 PolarHBondContact O-N 3.38Å; V143-M146 PolarHBondContact O-N 3.15Å; V143-M147 VanDerWaalsContact O-CB 3.31Å; V143-M147 WeakPolarHBondContact O-CB 3.43Å; V143-M147 PolarHBondContact O-N 3.28Å |
| 144 | S | 96.6 | Very high | 95.6 | Very high | 70 Ų | 70 | 90.4 Ų | 90.4 | 49% | 0.49 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 175.4 | -170.6 | 0 | 0 | 0 | 0 | 112 | F140 A141 S142 M147 D148 | F140-S144 PolarHBondContact O-N 3.43Å; A141-S144 PolarHBondContact O-N 3.39Å; S142-S144 VanDerWaalsContact C-N 3.34Å; S144-M147 PolarHBondContact O-N 3Å; S144-D148 WeakPolarHBondContact O-CB 3.26Å; S144-D148 PolarHBondContact O-N 3.48Å |
| 145 | M | 94.4 | Very high | 95.8 | Very high | 133 Ų | 133 | 90.1 Ų | 90.1 | 66% | 0.655 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.8 | -39.7 | 176 | -84.1 | -173.3 | -92.2 | 0 | 0 | 112 | A141 S142 M147 D148 A149 | A141-M145 PolarHBondContact O-N 3.29Å; S142-M145 PolarHBondContact O-N 3.26Å; M145-M147 VanDerWaalsContact C-N 3.34Å; M145-D148 PolarHBondContact O-N 3.37Å; M145-A149 WeakPolarHBondContact O-CB 3.5Å; M145-A149 PolarHBondContact O-N 2.88Å |
| 146 | M | 94.8 | Very high | 95.8 | Very high | 120 Ų | 120 | 91.3 Ų | 91.3 | 59% | 0.591 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64 | -41.9 | 174.9 | -173.8 | -178.1 | 72.3 | 0 | 0 | 110.8 | S142 V143 A149 T150 | S142-M146 VanDerWaalsContact O-CB 3.32Å; S142-M146 WeakPolarHBondContact O-CB 3.4Å; S142-M146 PolarHBondContact O-N 3.32Å; V143-M146 PolarHBondContact O-N 3.15Å; M146-A149 CarbonylContact O-C 3.47Å; M146-A149 WeakPolarHBondContact O-CB 3.24Å; M146-A149 PolarHBondContact O-N 3.37Å; M146-T150 WeakPolarHBondContact O-CG2 3.31Å; M146-T150 PolarHBondContact O-N 2.72Å; M146-T150 PolarHBondContact O-OG1 2.74Å |
| 147 | M | 97 | Very high | 95.9 | Very high | 124 Ų | 124 | 90.3 Ų | 90.3 | 61% | 0.611 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.9 | -37.5 | 178.1 | -167.2 | 177.4 | 72.7 | 0 | 0 | 112.2 | V143 S144 M145 T150 F151 | V143-M147 VanDerWaalsContact O-CB 3.31Å; V143-M147 WeakPolarHBondContact O-CB 3.43Å; V143-M147 PolarHBondContact O-N 3.28Å; S144-M147 PolarHBondContact O-N 3Å; M145-M147 VanDerWaalsContact C-N 3.34Å; M147-T150 WeakPolarHBondContact CA-OG1 3.15Å; M147-T150 PolarHBondContact O-N 3.4Å; M147-T150 PolarHBondContact O-OG1 2.98Å; M147-F151 WeakPolarHBondContact O-CB 3.37Å; M147-F151 PolarHBondContact O-N 3.49Å |
| 148 | D | 96.6 | Very high | 95.9 | Very high | 112 Ų | 112 | 91.8 Ų | 91.8 | 60% | 0.599 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 172.5 | -168.9 | 39.9 | 0 | 0 | 0 | 111.2 | S144 M145 F151 S152 | S144-D148 WeakPolarHBondContact O-CB 3.26Å; S144-D148 PolarHBondContact O-N 3.48Å; M145-D148 PolarHBondContact O-N 3.37Å; D148-F151 PolarHBondContact O-N 3.08Å; D148-S152 VanDerWaalsContact O-CB 3.3Å; D148-S152 WeakPolarHBondContact O-CB 3.34Å; D148-S152 PolarHBondContact O-N 2.84Å |
| 149 | A | 96.3 | Very high | 95.8 | Very high | 59 Ų | 59 | 92.6 Ų | 92.6 | 49% | 0.488 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M145 M146 S152 A153 | M145-A149 WeakPolarHBondContact O-CB 3.5Å; M145-A149 PolarHBondContact O-N 2.88Å; M146-A149 CarbonylContact O-C 3.47Å; M146-A149 WeakPolarHBondContact O-CB 3.24Å; M146-A149 PolarHBondContact O-N 3.37Å; A149-S152 PolarHBondContact O-N 3.4Å; A149-A153 WeakPolarHBondContact O-CB 3.29Å; A149-A153 PolarHBondContact O-N 2.79Å |
| 150 | T | 96 | Very high | 95.8 | Very high | 75 Ų | 75 | 92.8 Ų | 92.8 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.4 | -40.6 | 176.4 | 56.6 | 0 | 0 | 0 | 0 | 111.3 | M146 M147 A153 V154 | M146-T150 WeakPolarHBondContact O-CG2 3.31Å; M146-T150 PolarHBondContact O-N 2.72Å; M146-T150 PolarHBondContact O-OG1 2.74Å; M147-T150 WeakPolarHBondContact CA-OG1 3.15Å; M147-T150 PolarHBondContact O-N 3.4Å; M147-T150 PolarHBondContact O-OG1 2.98Å; T150-A153 PolarHBondContact O-N 3.49Å; T150-V154 WeakPolarHBondContact O-CB 3.37Å; T150-V154 VanDerWaalsContact O-CG2 3.27Å; T150-V154 WeakPolarHBondContact O-CG2 3.33Å; T150-V154 PolarHBondContact O-N 2.84Å |
| 151 | F | 96.5 | Very high | 95.8 | Very high | 142 Ų | 142 | 90.1 Ų | 90.1 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.3 | -49 | 173.8 | 176.3 | -101.5 | 0 | 0 | 0 | 111.6 | M147 D148 A153 V154 Y155 | M147-F151 WeakPolarHBondContact O-CB 3.37Å; M147-F151 PolarHBondContact O-N 3.49Å; D148-F151 PolarHBondContact O-N 3.08Å; F151-A153 PolarHBondContact O-N 3.2Å; F151-V154 PolarHBondContact O-N 3.47Å; F151-Y155 WeakPolarHBondContact O-CB 3.38Å; F151-Y155 PolarHBondContact O-N 3.04Å |
| 152 | S | 95.8 | Very high | 95.7 | Very high | 52 Ų | 52 | 92 Ų | 92 | 36% | 0.364 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176.9 | -179 | 0 | 0 | 0 | 0 | 112 | D148 A149 V154 Y155 N156 | D148-S152 VanDerWaalsContact O-CB 3.3Å; D148-S152 WeakPolarHBondContact O-CB 3.34Å; D148-S152 PolarHBondContact O-N 2.84Å; A149-S152 PolarHBondContact O-N 3.4Å; S152-V154 PolarHBondContact O-N 3.23Å; S152-Y155 PolarHBondContact O-N 2.77Å; S152-N156 WeakPolarHBondContact O-CB 3.36Å; S152-N156 PolarHBondContact O-N 2.93Å; S152-N156 PolarHBondContact O-ND2 3.47Å; S152-N156 VanDerWaalsContact O-ND2 3.08Å; S152-N156 PolarHBondContact OG-ND2 3.33Å |
| 153 | A | 96.9 | Very high | 95.5 | Very high | 49 Ų | 49 | 93 Ų | 93 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A149 T150 F151 N156 S157 | A149-A153 WeakPolarHBondContact O-CB 3.29Å; A149-A153 PolarHBondContact O-N 2.79Å; T150-A153 PolarHBondContact O-N 3.49Å; F151-A153 PolarHBondContact O-N 3.2Å; A153-N156 PolarHBondContact O-N 3.22Å; A153-S157 VanDerWaalsContact O-CB 3.26Å; A153-S157 WeakPolarHBondContact O-CB 3.36Å; A153-S157 PolarHBondContact O-N 2.9Å; A153-S157 PolarHBondContact O-OG 3.39Å |
| 154 | V | 96.6 | Very high | 95.4 | Very high | 99 Ų | 99 | 94.2 Ų | 94.2 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.5 | -44.1 | 175.6 | 171 | 0 | 0 | 0 | 0 | 110.7 | T150 F151 S152 N156 S157 F158 | T150-V154 WeakPolarHBondContact O-CB 3.37Å; T150-V154 VanDerWaalsContact O-CG2 3.27Å; T150-V154 WeakPolarHBondContact O-CG2 3.33Å; T150-V154 PolarHBondContact O-N 2.84Å; F151-V154 PolarHBondContact O-N 3.47Å; S152-V154 PolarHBondContact O-N 3.23Å; V154-N156 PolarHBondContact O-N 3.34Å; V154-S157 PolarHBondContact O-N 3.46Å; V154-F158 WeakPolarHBondContact O-CB 3.18Å; V154-F158 PolarHBondContact O-N 3.22Å |
| 155 | Y | 95.9 | Very high | 95.2 | Very high | 107 Ų | 107 | 93.5 Ų | 93.5 | 42% | 0.42 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 177.9 | -172.9 | -97.5 | 0 | 0 | 0 | 112.1 | F151 S152 F158 R159 | F151-Y155 WeakPolarHBondContact O-CB 3.38Å; F151-Y155 PolarHBondContact O-N 3.04Å; S152-Y155 PolarHBondContact O-N 2.77Å; Y155-F158 PolarHBondContact O-N 3.37Å; Y155-R159 HydrophobicContact CE1-CG 4.27Å; Y155-R159 PolarHBondContact O-N 3.35Å; Y155-R159 PolarHBondContact OH-NE 3.05Å; Y155-R159 PolarHBondContact OH-NH2 3.31Å |
| 156 | N | 93.8 | Very high | 95 | Very high | 91 Ų | 91 | 91.6 Ų | 91.6 | 49% | 0.487 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.8 | -38.1 | 177.5 | -68.3 | -31 | 0 | 0 | 0 | 111.8 | S152 A153 V154 R159 A160 | S152-N156 WeakPolarHBondContact O-CB 3.36Å; S152-N156 PolarHBondContact O-N 2.93Å; S152-N156 PolarHBondContact O-ND2 3.47Å; S152-N156 VanDerWaalsContact O-ND2 3.08Å; S152-N156 PolarHBondContact OG-ND2 3.33Å; A153-N156 PolarHBondContact O-N 3.22Å; V154-N156 PolarHBondContact O-N 3.34Å; N156-R159 PolarHBondContact O-N 3Å; N156-A160 WeakPolarHBondContact O-CB 3.49Å; N156-A160 PolarHBondContact O-N 3.22Å |
| 157 | S | 96.7 | Very high | 94.8 | Very high | 72 Ų | 72 | 91.7 Ų | 91.7 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.3 | -60 | 0 | 0 | 0 | 0 | 111.5 | A153 V154 A160 V161 | A153-S157 VanDerWaalsContact O-CB 3.26Å; A153-S157 WeakPolarHBondContact O-CB 3.36Å; A153-S157 PolarHBondContact O-N 2.9Å; A153-S157 PolarHBondContact O-OG 3.39Å; V154-S157 PolarHBondContact O-N 3.46Å; S157-A160 PolarHBondContact O-N 3.45Å; S157-V161 WeakPolarHBondContact O-CG2 3.13Å; S157-V161 PolarHBondContact O-N 2.63Å |
| 158 | F | 95.8 | Very high | 94.5 | Very high | 123 Ų | 123 | 93 Ų | 93 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 176.4 | 175.9 | -108.9 | 0 | 0 | 0 | 111.7 | V154 Y155 V161 L162 | V154-F158 WeakPolarHBondContact O-CB 3.18Å; V154-F158 PolarHBondContact O-N 3.22Å; Y155-F158 PolarHBondContact O-N 3.37Å; F158-V161 PolarHBondContact O-N 3.37Å; F158-L162 HydrophobicContact CD1-CD1 3.98Å; F158-L162 HydrophobicContact CD1-CG 4.45Å; F158-L162 HydrophobicContact CE1-CD1 3.35Å; F158-L162 HydrophobicContact CE1-CG 4Å; F158-L162 HydrophobicContact CE2-CD1 4.45Å; F158-L162 HydrophobicContact CE2-CD2 4.4Å; F158-L162 HydrophobicContact CE2-CG 4.27Å; F158-L162 HydrophobicContact CZ-CD1 3.63Å; F158-L162 HydrophobicContact CZ-CD2 4.08Å; F158-L162 HydrophobicContact CZ-CG 3.9Å; F158-L162 PolarHBondContact O-N 3.22Å |
| 159 | R | 92.1 | Very high | 94.1 | Very high | 133 Ų | 133 | 91 Ų | 91 | 50% | 0.502 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 174.2 | -81.2 | -150.5 | -177 | 176.8 | 3 | 112.6 | Y155 N156 V161 L162 D163 | Y155-R159 HydrophobicContact CE1-CG 4.27Å; Y155-R159 PolarHBondContact O-N 3.35Å; Y155-R159 PolarHBondContact OH-NE 3.05Å; Y155-R159 PolarHBondContact OH-NH2 3.31Å; N156-R159 PolarHBondContact O-N 3Å; R159-V161 PolarHBondContact O-N 3.47Å; R159-L162 PolarHBondContact O-N 3.33Å; R159-L162 VanDerWaalsContact O-N 3.14Å; R159-D163 PolarHBondContact O-N 2.89Å |
| 160 | A | 96.8 | Very high | 93.6 | Very high | 53 Ų | 53 | 96 Ų | 96 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | N156 S157 D163 V164 | N156-A160 WeakPolarHBondContact O-CB 3.49Å; N156-A160 PolarHBondContact O-N 3.22Å; S157-A160 PolarHBondContact O-N 3.45Å; A160-D163 PolarHBondContact O-N 2.78Å; A160-V164 VanDerWaalsContact O-CG2 3.32Å; A160-V164 WeakPolarHBondContact O-CG2 3.5Å; A160-V164 PolarHBondContact O-N 3.4Å |
| 161 | V | 95.2 | Very high | 93.2 | Very high | 97 Ų | 97 | 96.2 Ų | 96.2 | 59% | 0.588 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.4 | -43.4 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 112 | S157 F158 R159 D163 V164 A165 | S157-V161 WeakPolarHBondContact O-CG2 3.13Å; S157-V161 PolarHBondContact O-N 2.63Å; F158-V161 PolarHBondContact O-N 3.37Å; R159-V161 PolarHBondContact O-N 3.47Å; V161-D163 VanDerWaalsContact C-N 3.29Å; V161-D163 PolarHBondContact O-N 2.68Å; V161-V164 WeakPolarHBondContact O-CB 3.4Å; V161-V164 PolarHBondContact O-N 2.88Å; V161-A165 PolarHBondContact O-N 3.41Å |
| 162 | L | 93.8 | Very high | 92.6 | Very high | 77 Ų | 77 | 96.5 Ų | 96.5 | 40% | 0.403 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 174.1 | -71.2 | -179.3 | 0 | 0 | 0 | 111.9 | F158 R159 A165 N166 | F158-L162 HydrophobicContact CD1-CD1 3.98Å; F158-L162 HydrophobicContact CD1-CG 4.45Å; F158-L162 HydrophobicContact CE1-CD1 3.35Å; F158-L162 HydrophobicContact CE1-CG 4Å; F158-L162 HydrophobicContact CE2-CD1 4.45Å; F158-L162 HydrophobicContact CE2-CD2 4.4Å; F158-L162 HydrophobicContact CE2-CG 4.27Å; F158-L162 HydrophobicContact CZ-CD1 3.63Å; F158-L162 HydrophobicContact CZ-CD2 4.08Å; F158-L162 HydrophobicContact CZ-CG 3.9Å; F158-L162 PolarHBondContact O-N 3.22Å; R159-L162 PolarHBondContact O-N 3.33Å; R159-L162 VanDerWaalsContact O-N 3.14Å; L162-A165 WeakPolarHBondContact O-CB 3.29Å; L162-A165 PolarHBondContact O-N 3.37Å; L162-N166 PolarHBondContact O-N 3.34Å; L162-N166 PolarHBondContact O-ND2 3.07Å |
| 163 | D | 92.4 | Very high | 92.1 | Very high | 88 Ų | 88 | 98.1 Ų | 98.1 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 175.1 | -75.1 | -20.5 | 0 | 0 | 0 | 111.1 | R159 A160 V161 A165 N166 H167 | R159-D163 PolarHBondContact O-N 2.89Å; A160-D163 PolarHBondContact O-N 2.78Å; V161-D163 VanDerWaalsContact C-N 3.29Å; V161-D163 PolarHBondContact O-N 2.68Å; D163-A165 VanDerWaalsContact C-N 3.32Å; D163-A165 PolarHBondContact O-N 3.05Å; D163-N166 WeakPolarHBondContact O-CB 3.38Å; D163-N166 PolarHBondContact O-N 2.87Å; D163-H167 PolarHBondContact O-N 3.22Å; D163-H167 PolarHBondContact O-ND1 3.34Å |
| 164 | V | 92.6 | Very high | 91.6 | Very high | 102 Ų | 102 | 101 Ų | 101 | 62% | 0.618 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.8 | -41.7 | 171.9 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | A160 V161 N166 H167 F168 | A160-V164 VanDerWaalsContact O-CG2 3.32Å; A160-V164 WeakPolarHBondContact O-CG2 3.5Å; A160-V164 PolarHBondContact O-N 3.4Å; V161-V164 WeakPolarHBondContact O-CB 3.4Å; V161-V164 PolarHBondContact O-N 2.88Å; V164-N166 VanDerWaalsContact C-N 3.34Å; V164-N166 PolarHBondContact O-N 3.37Å; V164-H167 PolarHBondContact O-N 3.14Å; V164-F168 PolarHBondContact O-N 3.02Å |
| 165 | A | 93 | Very high | 91 | Very high | 56 Ų | 56 | 101.5 Ų | 101.5 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V161 L162 D163 H167 F168 S169 | V161-A165 PolarHBondContact O-N 3.41Å; L162-A165 WeakPolarHBondContact O-CB 3.29Å; L162-A165 PolarHBondContact O-N 3.37Å; D163-A165 VanDerWaalsContact C-N 3.32Å; D163-A165 PolarHBondContact O-N 3.05Å; A165-H167 VanDerWaalsContact C-N 3.35Å; A165-H167 PolarHBondContact O-N 3.33Å; A165-F168 WeakPolarHBondContact O-CB 3.46Å; A165-F168 PolarHBondContact O-N 2.82Å; A165-S169 PolarHBondContact O-N 3.4Å |
| 166 | N | 91.3 | Very high | 90.4 | Very high | 93 Ų | 93 | 100.4 Ų | 100.4 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -40 | 174 | -72.5 | -36.1 | 0 | 0 | 0 | 112 | L162 D163 V164 F168 S169 R170 | L162-N166 PolarHBondContact O-N 3.34Å; L162-N166 PolarHBondContact O-ND2 3.07Å; D163-N166 WeakPolarHBondContact O-CB 3.38Å; D163-N166 PolarHBondContact O-N 2.87Å; V164-N166 VanDerWaalsContact C-N 3.34Å; V164-N166 PolarHBondContact O-N 3.37Å; N166-F168 VanDerWaalsContact C-N 3.34Å; N166-S169 WeakPolarHBondContact O-CB 3.27Å; N166-S169 PolarHBondContact O-N 3Å; N166-R170 WeakPolarHBondContact O-CG 3.23Å; N166-R170 PolarHBondContact O-N 3.36Å |
| 167 | H | 90.4 | Very high | 89.9 | Confident | 122 Ų | 122 | 102.2 Ų | 102.2 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.4 | -38.5 | 173.5 | -75.2 | 87.9 | 0 | 0 | 0 | 112 | D163 V164 A165 S169 R170 L171 | D163-H167 PolarHBondContact O-N 3.22Å; D163-H167 PolarHBondContact O-ND1 3.34Å; V164-H167 PolarHBondContact O-N 3.14Å; A165-H167 VanDerWaalsContact C-N 3.35Å; A165-H167 PolarHBondContact O-N 3.33Å; H167-S169 VanDerWaalsContact C-N 3.34Å; H167-R170 PolarHBondContact O-N 3.42Å; H167-L171 VanDerWaalsContact O-CB 3.27Å; H167-L171 WeakPolarHBondContact O-CB 3.49Å; H167-L171 PolarHBondContact O-N 3.43Å |
| 168 | F | 89.9 | Confident | 89.2 | Confident | 151 Ų | 151 | 103.4 Ų | 103.4 | 66% | 0.662 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65 | -38.2 | 175.1 | -166.5 | -101.4 | 0 | 0 | 0 | 112.2 | V164 A165 N166 L171 K172 | V164-F168 PolarHBondContact O-N 3.02Å; A165-F168 WeakPolarHBondContact O-CB 3.46Å; A165-F168 PolarHBondContact O-N 2.82Å; N166-F168 VanDerWaalsContact C-N 3.34Å; F168-L171 PolarHBondContact O-N 2.72Å; F168-K172 PolarHBondContact O-N 3.46Å |
| 169 | S | 87.8 | Confident | 88.6 | Confident | 71 Ų | 71 | 104 Ų | 104 | 50% | 0.497 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 173.4 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | A165 N166 H167 L171 K172 I173 | A165-S169 PolarHBondContact O-N 3.4Å; N166-S169 WeakPolarHBondContact O-CB 3.27Å; N166-S169 PolarHBondContact O-N 3Å; H167-S169 VanDerWaalsContact C-N 3.34Å; S169-L171 PolarHBondContact O-N 2.86Å; S169-K172 WeakPolarHBondContact O-CB 3.46Å; S169-K172 PolarHBondContact O-N 2.9Å; S169-I173 PolarHBondContact O-N 3.44Å |
| 170 | R | 85.9 | Confident | 87.9 | Confident | 164 Ų | 164 | 100.9 Ų | 100.9 | 62% | 0.619 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -41.6 | 174.7 | -68.2 | 178 | -177.4 | -173.1 | 0.6 | 111.9 | N166 H167 K172 I173 H174 | N166-R170 WeakPolarHBondContact O-CG 3.23Å; N166-R170 PolarHBondContact O-N 3.36Å; H167-R170 PolarHBondContact O-N 3.42Å; R170-K172 VanDerWaalsContact C-N 3.29Å; R170-K172 PolarHBondContact O-N 3.22Å; R170-I173 WeakPolarHBondContact O-CB 3.45Å; R170-I173 PolarHBondContact O-N 2.93Å; R170-I173 VanDerWaalsContact O-N 3.08Å; R170-H174 PolarHBondContact O-CD2 2.94Å; R170-H174 PolarHBondContact O-N 2.93Å; R170-H174 VanDerWaalsContact O-N 3.11Å |
| 171 | L | 87.9 | Confident | 87.2 | Confident | 78 Ų | 78 | 100.9 Ų | 100.9 | 41% | 0.408 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.7 | -38.5 | 178.9 | -177.5 | 62.7 | 0 | 0 | 0 | 111.8 | H167 F168 S169 I173 H174 F175 | H167-L171 VanDerWaalsContact O-CB 3.27Å; H167-L171 WeakPolarHBondContact O-CB 3.49Å; H167-L171 PolarHBondContact O-N 3.43Å; F168-L171 PolarHBondContact O-N 2.72Å; S169-L171 PolarHBondContact O-N 2.86Å; L171-I173 VanDerWaalsContact C-N 3.3Å; L171-I173 PolarHBondContact O-N 2.83Å; L171-H174 PolarHBondContact O-N 3.23Å; L171-H174 VanDerWaalsContact O-N 3.13Å; L171-F175 HydrophobicContact CD1-CD2 4.04Å; L171-F175 HydrophobicContact CD1-CE2 3.72Å; L171-F175 HydrophobicContact CD1-CZ 4.47Å; L171-F175 HydrophobicContact CD2-CD2 4.44Å; L171-F175 HydrophobicContact CD2-CE2 3.79Å; L171-F175 HydrophobicContact CG-CD2 3.72Å; L171-F175 HydrophobicContact CG-CE2 3.5Å; L171-F175 VanDerWaalsContact CG-CE2 3.5Å; L171-F175 WeakPolarHBondContact O-CD2 3.31Å; L171-F175 PolarHBondContact O-N 3.24Å |
| 172 | K | 84.6 | Confident | 86.6 | Confident | 149 Ų | 149 | 102.1 Ų | 102.1 | 65% | 0.648 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -56.3 | -44.7 | 172.8 | 179.8 | -178.8 | 171.7 | 177.6 | 0 | 111.7 | F168 S169 R170 H174 F175 T176 | F168-K172 PolarHBondContact O-N 3.46Å; S169-K172 WeakPolarHBondContact O-CB 3.46Å; S169-K172 PolarHBondContact O-N 2.9Å; R170-K172 VanDerWaalsContact C-N 3.29Å; R170-K172 PolarHBondContact O-N 3.22Å; K172-H174 VanDerWaalsContact C-N 3.32Å; K172-H174 PolarHBondContact O-N 3.46Å; K172-F175 PolarHBondContact O-N 2.78Å; K172-T176 PolarHBondContact O-N 3.23Å; K172-T176 PolarHBondContact O-OG1 3.21Å; K172-T176 VanDerWaalsContact O-OG1 3.05Å |
| 173 | I | 84.6 | Confident | 86 | Confident | 86 Ų | 86 | 100.8 Ų | 100.8 | 44% | 0.441 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 177.2 | -61.2 | 167.2 | 0 | 0 | 0 | 110.5 | S169 R170 L171 T176 K177 | S169-I173 PolarHBondContact O-N 3.44Å; R170-I173 WeakPolarHBondContact O-CB 3.45Å; R170-I173 PolarHBondContact O-N 2.93Å; R170-I173 VanDerWaalsContact O-N 3.08Å; L171-I173 VanDerWaalsContact C-N 3.3Å; L171-I173 PolarHBondContact O-N 2.83Å; I173-T176 PolarHBondContact O-N 2.86Å; I173-K177 HydrophobicContact CG2-CD 4.44Å; I173-K177 WeakPolarHBondContact O-CG 3.27Å; I173-K177 PolarHBondContact O-N 2.88Å |
| 174 | H | 86.9 | Confident | 85.5 | Confident | 109 Ų | 109 | 100.9 Ų | 100.9 | 51% | 0.505 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 176.3 | -70 | -72.5 | 0 | 0 | 0 | 112.5 | R170 L171 K172 K177 V178 | R170-H174 PolarHBondContact O-CD2 2.94Å; R170-H174 PolarHBondContact O-N 2.93Å; R170-H174 VanDerWaalsContact O-N 3.11Å; L171-H174 PolarHBondContact O-N 3.23Å; L171-H174 VanDerWaalsContact O-N 3.13Å; K172-H174 VanDerWaalsContact C-N 3.32Å; K172-H174 PolarHBondContact O-N 3.46Å; H174-K177 WeakPolarHBondContact O-CB 3.43Å; H174-K177 PolarHBondContact O-N 3.06Å; H174-V178 WeakPolarHBondContact O-CG2 3.43Å; H174-V178 PolarHBondContact O-N 2.78Å |
| 175 | F | 84.3 | Confident | 85 | Confident | 110 Ų | 110 | 100.4 Ų | 100.4 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 173.2 | -85 | -64.3 | 0 | 0 | 0 | 111.6 | L171 K172 K177 V178 F179 | L171-F175 HydrophobicContact CD1-CD2 4.04Å; L171-F175 HydrophobicContact CD1-CE2 3.72Å; L171-F175 HydrophobicContact CD1-CZ 4.47Å; L171-F175 HydrophobicContact CD2-CD2 4.44Å; L171-F175 HydrophobicContact CD2-CE2 3.79Å; L171-F175 HydrophobicContact CG-CD2 3.72Å; L171-F175 HydrophobicContact CG-CE2 3.5Å; L171-F175 VanDerWaalsContact CG-CE2 3.5Å; L171-F175 WeakPolarHBondContact O-CD2 3.31Å; L171-F175 PolarHBondContact O-N 3.24Å; K172-F175 PolarHBondContact O-N 2.78Å; F175-K177 VanDerWaalsContact C-N 3.26Å; F175-K177 PolarHBondContact O-N 2.94Å; F175-V178 PolarHBondContact O-N 2.78Å; F175-V178 VanDerWaalsContact O-N 3.13Å; F175-F179 HydrophobicContact CB-CD2 4.29Å; F175-F179 HydrophobicContact CB-CE2 4.28Å; F175-F179 AromaticContact CD1-CE2 3.97Å; F175-F179 HydrophobicContact CD1-CE2 3.97Å; F175-F179 WeakPolarHBondContact O-CD2 3.16Å; F175-F179 PolarHBondContact O-N 3.06Å |
| 176 | T | 83.4 | Confident | 84.5 | Confident | 83 Ų | 83 | 104.4 Ų | 104.4 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 176.8 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | K172 I173 S180 | K172-T176 PolarHBondContact O-N 3.23Å; K172-T176 PolarHBondContact O-OG1 3.21Å; K172-T176 VanDerWaalsContact O-OG1 3.05Å; I173-T176 PolarHBondContact O-N 2.86Å; T176-S180 WeakPolarHBondContact O-CB 3.25Å; T176-S180 PolarHBondContact O-N 2.93Å |
| 177 | K | 82.8 | Confident | 83.9 | Confident | 129 Ų | 129 | 103.9 Ų | 103.9 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -42.2 | 174.5 | -72.6 | 174.2 | 179.9 | 176.9 | 0 | 112.5 | I173 H174 F175 S180 A181 | I173-K177 HydrophobicContact CG2-CD 4.44Å; I173-K177 WeakPolarHBondContact O-CG 3.27Å; I173-K177 PolarHBondContact O-N 2.88Å; H174-K177 WeakPolarHBondContact O-CB 3.43Å; H174-K177 PolarHBondContact O-N 3.06Å; F175-K177 VanDerWaalsContact C-N 3.26Å; F175-K177 PolarHBondContact O-N 2.94Å; K177-S180 PolarHBondContact O-N 2.85Å; K177-A181 WeakPolarHBondContact O-CB 3.32Å; K177-A181 PolarHBondContact O-N 2.88Å |
| 178 | V | 81.8 | Confident | 83.5 | Confident | 97 Ų | 97 | 103 Ų | 103 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.7 | -45.5 | 178.2 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | H174 F175 A181 F182 | H174-V178 WeakPolarHBondContact O-CG2 3.43Å; H174-V178 PolarHBondContact O-N 2.78Å; F175-V178 PolarHBondContact O-N 2.78Å; F175-V178 VanDerWaalsContact O-N 3.13Å; V178-A181 PolarHBondContact O-N 3.04Å; V178-F182 PolarHBondContact O-N 3.31Å |
| 179 | F | 82.1 | Confident | 83 | Confident | 136 Ų | 136 | 101.7 Ų | 101.7 | 60% | 0.596 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.7 | -38.3 | 175.8 | -75.5 | -67.5 | 0 | 0 | 0 | 112 | F175 F182 A183 | F175-F179 HydrophobicContact CB-CD2 4.29Å; F175-F179 HydrophobicContact CB-CE2 4.28Å; F175-F179 AromaticContact CD1-CE2 3.97Å; F175-F179 HydrophobicContact CD1-CE2 3.97Å; F175-F179 WeakPolarHBondContact O-CD2 3.16Å; F175-F179 PolarHBondContact O-N 3.06Å; F179-F182 PolarHBondContact O-N 3.09Å; F179-A183 VanDerWaalsContact O-CB 3.28Å; F179-A183 WeakPolarHBondContact O-CB 3.36Å; F179-A183 PolarHBondContact O-N 2.82Å |
| 180 | S | 78.6 | Confident | 82.7 | Confident | 68 Ų | 68 | 104.1 Ų | 104.1 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 173.7 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | T176 K177 F182 A183 L184 | T176-S180 WeakPolarHBondContact O-CB 3.25Å; T176-S180 PolarHBondContact O-N 2.93Å; K177-S180 PolarHBondContact O-N 2.85Å; S180-F182 PolarHBondContact O-N 3.08Å; S180-A183 PolarHBondContact O-N 3.37Å; S180-L184 WeakPolarHBondContact O-CB 3.48Å; S180-L184 PolarHBondContact O-N 3.45Å |
| 181 | A | 81.5 | Confident | 82.5 | Confident | 52 Ų | 52 | 101.5 Ų | 101.5 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | K177 V178 L184 V185 | K177-A181 WeakPolarHBondContact O-CB 3.32Å; K177-A181 PolarHBondContact O-N 2.88Å; V178-A181 PolarHBondContact O-N 3.04Å; A181-L184 PolarHBondContact O-N 3.29Å; A181-V185 WeakPolarHBondContact O-CG2 3.36Å; A181-V185 PolarHBondContact O-N 3.47Å |
| 182 | F | 82.1 | Confident | 82.2 | Confident | 123 Ų | 123 | 104.6 Ų | 104.6 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.1 | -40.1 | 177.4 | -169.2 | -103.6 | 0 | 0 | 0 | 112.8 | V178 F179 S180 L184 V185 R186 | V178-F182 PolarHBondContact O-N 3.31Å; F179-F182 PolarHBondContact O-N 3.09Å; S180-F182 PolarHBondContact O-N 3.08Å; F182-L184 VanDerWaalsContact C-N 3.34Å; F182-V185 PolarHBondContact O-N 3.15Å; F182-R186 PolarHBondContact O-N 3.2Å |
| 183 | A | 81.2 | Confident | 82.1 | Confident | 49 Ų | 49 | 102.4 Ų | 102.4 | 41% | 0.405 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F179 S180 V185 R186 T187 | F179-A183 VanDerWaalsContact O-CB 3.28Å; F179-A183 WeakPolarHBondContact O-CB 3.36Å; F179-A183 PolarHBondContact O-N 2.82Å; S180-A183 PolarHBondContact O-N 3.37Å; A183-V185 PolarHBondContact O-N 3.31Å; A183-R186 CarbonylContact O-C 3.54Å; A183-R186 WeakPolarHBondContact O-CA 3.35Å; A183-R186 WeakPolarHBondContact O-CB 3.42Å; A183-R186 PolarHBondContact O-N 3.1Å; A183-R186 VanDerWaalsContact O-N 3.14Å; A183-T187 WeakPolarHBondContact O-CG2 3.43Å; A183-T187 PolarHBondContact O-N 3.33Å; A183-T187 PolarHBondContact O-OG1 3.36Å |
| 184 | L | 81.9 | Confident | 81.5 | Confident | 91 Ų | 91 | 104.6 Ų | 104.6 | 48% | 0.476 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 177.6 | -173.1 | 154.2 | 0 | 0 | 0 | 111.8 | S180 A181 F182 R186 T187 I188 | S180-L184 WeakPolarHBondContact O-CB 3.48Å; S180-L184 PolarHBondContact O-N 3.45Å; A181-L184 PolarHBondContact O-N 3.29Å; F182-L184 VanDerWaalsContact C-N 3.34Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.06Å; L184-T187 WeakPolarHBondContact CA-OG1 3.32Å; L184-T187 PolarHBondContact O-N 3.46Å; L184-T187 PolarHBondContact O-OG1 2.66Å; L184-I188 HydrophobicContact CD2-CD1 3.43Å; L184-I188 VanDerWaalsContact CD2-CD1 3.43Å; L184-I188 HydrophobicContact CD2-CG1 4.22Å; L184-I188 HydrophobicContact CG-CD1 4.37Å; L184-I188 WeakPolarHBondContact O-CB 3.48Å; L184-I188 WeakPolarHBondContact O-CG1 3.22Å; L184-I188 PolarHBondContact O-N 3.05Å |
| 185 | V | 83.3 | Confident | 81.2 | Confident | 92 Ų | 92 | 103.9 Ų | 103.9 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 173.9 | 171.4 | 0 | 0 | 0 | 0 | 111 | A181 F182 A183 R189 | A181-V185 WeakPolarHBondContact O-CG2 3.36Å; A181-V185 PolarHBondContact O-N 3.47Å; F182-V185 PolarHBondContact O-N 3.15Å; A183-V185 PolarHBondContact O-N 3.31Å; V185-R189 VanDerWaalsContact O-CB 3.31Å; V185-R189 WeakPolarHBondContact O-CB 3.43Å; V185-R189 PolarHBondContact O-N 3.29Å |
| 186 | R | 81.9 | Confident | 80.6 | Confident | 139 Ų | 139 | 101.5 Ų | 101.5 | 53% | 0.525 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 175.1 | -107.5 | 177.8 | 161.6 | 85.4 | -5.8 | 112.1 | F182 A183 L184 Y190 | F182-R186 PolarHBondContact O-N 3.2Å; A183-R186 CarbonylContact O-C 3.54Å; A183-R186 WeakPolarHBondContact O-CA 3.35Å; A183-R186 WeakPolarHBondContact O-CB 3.42Å; A183-R186 PolarHBondContact O-N 3.1Å; A183-R186 VanDerWaalsContact O-N 3.14Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.06Å; R186-Y190 VanDerWaalsContact O-CB 3.23Å; R186-Y190 WeakPolarHBondContact O-CB 3.49Å; R186-Y190 PolarHBondContact O-N 2.84Å |
| 187 | T | 78 | Confident | 80.1 | Confident | 82 Ų | 82 | 105.3 Ų | 105.3 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.6 | -39 | 179.5 | 57 | 0 | 0 | 0 | 0 | 111.8 | A183 L184 Y190 L191 | A183-T187 WeakPolarHBondContact O-CG2 3.43Å; A183-T187 PolarHBondContact O-N 3.33Å; A183-T187 PolarHBondContact O-OG1 3.36Å; L184-T187 WeakPolarHBondContact CA-OG1 3.32Å; L184-T187 PolarHBondContact O-N 3.46Å; L184-T187 PolarHBondContact O-OG1 2.66Å; T187-Y190 PolarHBondContact O-N 3.32Å; T187-L191 WeakPolarHBondContact O-CB 3.48Å; T187-L191 PolarHBondContact O-N 3.18Å |
| 188 | I | 82.4 | Confident | 79.3 | Confident | 103 Ų | 103 | 106.5 Ų | 106.5 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 172.4 | -74.9 | 178.3 | 0 | 0 | 0 | 110.7 | L184 Y190 L191 Y192 | L184-I188 HydrophobicContact CD2-CD1 3.43Å; L184-I188 VanDerWaalsContact CD2-CD1 3.43Å; L184-I188 HydrophobicContact CD2-CG1 4.22Å; L184-I188 HydrophobicContact CG-CD1 4.37Å; L184-I188 WeakPolarHBondContact O-CB 3.48Å; L184-I188 WeakPolarHBondContact O-CG1 3.22Å; L184-I188 PolarHBondContact O-N 3.05Å; I188-Y190 VanDerWaalsContact C-N 3.28Å; I188-Y190 PolarHBondContact O-N 3.09Å; I188-L191 PolarHBondContact O-N 3.37Å; I188-Y192 VanDerWaalsContact O-CB 3.31Å; I188-Y192 WeakPolarHBondContact O-CB 3.12Å; I188-Y192 PolarHBondContact O-N 3.08Å |
| 189 | R | 80.8 | Confident | 78.4 | Confident | 125 Ų | 125 | 107.7 Ų | 107.7 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -35.7 | 177.4 | -170.3 | -172.1 | 67.2 | 132 | 6.4 | 111.9 | V185 R193 | V185-R189 VanDerWaalsContact O-CB 3.31Å; V185-R189 WeakPolarHBondContact O-CB 3.43Å; V185-R189 PolarHBondContact O-N 3.29Å; R189-R193 WeakPolarHBondContact O-CG 3.37Å; R189-R193 PolarHBondContact O-N 2.69Å; R189-R193 VanDerWaalsContact O-N 3.13Å |
| 190 | Y | 80.6 | Confident | 77.1 | Confident | 122 Ų | 122 | 103.5 Ų | 103.5 | 48% | 0.478 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -46.6 | 174.5 | 175 | -94.2 | 0 | 0 | 0 | 111.4 | R186 T187 I188 Y192 R193 R194 | R186-Y190 VanDerWaalsContact O-CB 3.23Å; R186-Y190 WeakPolarHBondContact O-CB 3.49Å; R186-Y190 PolarHBondContact O-N 2.84Å; T187-Y190 PolarHBondContact O-N 3.32Å; I188-Y190 VanDerWaalsContact C-N 3.28Å; I188-Y190 PolarHBondContact O-N 3.09Å; Y190-Y192 VanDerWaalsContact C-N 3.33Å; Y190-Y192 PolarHBondContact O-N 3.16Å; Y190-R193 PolarHBondContact O-N 2.89Å; Y190-R194 VanDerWaalsContact O-CB 3.28Å; Y190-R194 WeakPolarHBondContact O-CB 3.18Å; Y190-R194 PolarHBondContact O-N 3.41Å; Y190-R194 PolarHBondContact OH-NH1 3.49Å |
| 191 | L | 81.6 | Confident | 76.2 | Confident | 108 Ų | 108 | 107.4 Ų | 107.4 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 177.6 | -176.8 | 62.6 | 0 | 0 | 0 | 110.7 | T187 I188 R194 L195 | T187-L191 WeakPolarHBondContact O-CB 3.48Å; T187-L191 PolarHBondContact O-N 3.18Å; I188-L191 PolarHBondContact O-N 3.37Å; L191-R194 CarbonylContact O-C 3.57Å; L191-R194 PolarHBondContact O-N 3.32Å; L191-L195 WeakPolarHBondContact O-CB 3.2Å; L191-L195 PolarHBondContact O-N 3.48Å |
| 192 | Y | 82.5 | Confident | 74.7 | Confident | 143 Ų | 143 | 113.6 Ų | 113.6 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60 | -47 | 173.6 | 179.8 | -106.8 | 0 | 0 | 0 | 111.8 | I188 Y190 R194 L195 Q196 | I188-Y192 VanDerWaalsContact O-CB 3.31Å; I188-Y192 WeakPolarHBondContact O-CB 3.12Å; I188-Y192 PolarHBondContact O-N 3.08Å; Y190-Y192 VanDerWaalsContact C-N 3.33Å; Y190-Y192 PolarHBondContact O-N 3.16Å; Y192-R194 PolarHBondContact O-N 3.1Å; Y192-L195 PolarHBondContact O-N 2.86Å; Y192-Q196 VanDerWaalsContact CE1-CD 3.42Å; Y192-Q196 HydrophobicContact CE1-CG 4.27Å; Y192-Q196 HydrophobicContact CE2-CG 4.43Å; Y192-Q196 WeakPolarHBondContact O-CB 3.47Å; Y192-Q196 VanDerWaalsContact O-CG 3.3Å; Y192-Q196 WeakPolarHBondContact O-CG 3.23Å; Y192-Q196 PolarHBondContact O-N 3.31Å; Y192-Q196 PolarHBondContact OH-NE2 3.06Å |
| 193 | R | 81.3 | Confident | 73.1 | Confident | 103 Ų | 103 | 119.3 Ų | 119.3 | 39% | 0.389 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.9 | -39.1 | 174.2 | -71.7 | 179.1 | -152 | -140.8 | -9.5 | 112.6 | R189 Y190 L195 Q196 R197 | R189-R193 WeakPolarHBondContact O-CG 3.37Å; R189-R193 PolarHBondContact O-N 2.69Å; R189-R193 VanDerWaalsContact O-N 3.13Å; Y190-R193 PolarHBondContact O-N 2.89Å; R193-L195 VanDerWaalsContact C-N 3.35Å; R193-Q196 PolarHBondContact O-N 2.79Å; R193-R197 WeakPolarHBondContact O-CG 3.32Å; R193-R197 PolarHBondContact O-N 3.28Å |
| 194 | R | 72.8 | Confident | 71.6 | Confident | 133 Ų | 133 | 120.1 Ų | 120.1 | 50% | 0.502 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.6 | -41.8 | 177.1 | -173.5 | 103.4 | -178.1 | -169.3 | 3.8 | 110.5 | Y190 L191 Y192 R197 M198 | Y190-R194 VanDerWaalsContact O-CB 3.28Å; Y190-R194 WeakPolarHBondContact O-CB 3.18Å; Y190-R194 PolarHBondContact O-N 3.41Å; Y190-R194 PolarHBondContact OH-NH1 3.49Å; L191-R194 CarbonylContact O-C 3.57Å; L191-R194 PolarHBondContact O-N 3.32Å; Y192-R194 PolarHBondContact O-N 3.1Å; R194-R197 PolarHBondContact O-N 3.14Å; R194-M198 WeakPolarHBondContact O-CG 3.48Å; R194-M198 PolarHBondContact O-N 3.31Å |
| 195 | L | 79.6 | Confident | 69.9 | Low | 93 Ų | 93 | 119.3 Ų | 119.3 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.2 | -40.7 | 177.9 | -163.7 | 69.3 | 0 | 0 | 0 | 110.7 | L191 Y192 R193 R197 M198 L199 | L191-L195 WeakPolarHBondContact O-CB 3.2Å; L191-L195 PolarHBondContact O-N 3.48Å; Y192-L195 PolarHBondContact O-N 2.86Å; R193-L195 VanDerWaalsContact C-N 3.35Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 3.45Å; L195-M198 PolarHBondContact O-N 3.02Å; L195-L199 HydrophobicContact CD1-CD1 3.97Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 WeakPolarHBondContact O-CB 3.01Å; L195-L199 PolarHBondContact O-N 2.96Å |
| 196 | Q | 72.8 | Confident | 68.3 | Low | 61 Ų | 61 | 122.4 Ų | 122.4 | 29% | 0.285 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60.6 | -34.5 | 171.2 | -77.3 | -177.6 | -32.3 | 0 | 0 | 113 | Y192 R193 G200 L201 | Y192-Q196 VanDerWaalsContact CE1-CD 3.42Å; Y192-Q196 HydrophobicContact CE1-CG 4.27Å; Y192-Q196 HydrophobicContact CE2-CG 4.43Å; Y192-Q196 WeakPolarHBondContact O-CB 3.47Å; Y192-Q196 VanDerWaalsContact O-CG 3.3Å; Y192-Q196 WeakPolarHBondContact O-CG 3.23Å; Y192-Q196 PolarHBondContact O-N 3.31Å; Y192-Q196 PolarHBondContact OH-NE2 3.06Å; R193-Q196 PolarHBondContact O-N 2.79Å; Q196-G200 PolarHBondContact O-N 2.86Å; Q196-L201 PolarHBondContact O-N 3.44Å |
| 197 | R | 73.5 | Confident | 67 | Low | 162 Ų | 162 | 121.3 Ų | 121.3 | 61% | 0.611 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.4 | -40.7 | 173 | -70.5 | 177.7 | -160.8 | 141.5 | -2.2 | 112.4 | R193 R194 L195 G200 | R193-R197 WeakPolarHBondContact O-CG 3.32Å; R193-R197 PolarHBondContact O-N 3.28Å; R194-R197 PolarHBondContact O-N 3.14Å; L195-R197 VanDerWaalsContact C-N 3.28Å; L195-R197 PolarHBondContact O-N 3.45Å; R197-G200 PolarHBondContact O-N 3.12Å |
| 198 | M | 64.9 | Low | 65.9 | Low | 155 Ų | 155 | 125.2 Ų | 125.2 | 76% | 0.764 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.2 | -39.3 | 178.5 | -78.7 | -82.5 | -73.4 | 0 | 0 | 112.6 | R194 L195 G200 | R194-M198 WeakPolarHBondContact O-CG 3.48Å; R194-M198 PolarHBondContact O-N 3.31Å; L195-M198 PolarHBondContact O-N 3.02Å; M198-G200 PolarHBondContact O-N 3.18Å |
| 199 | L | 63.8 | Low | 64.8 | Low | 121 Ų | 121 | 125.8 Ų | 125.8 | 63% | 0.634 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 3.8 | 174.8 | -93.7 | 71.1 | 0 | 0 | 0 | 113 | L195 L201 | L195-L199 HydrophobicContact CD1-CD1 3.97Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 WeakPolarHBondContact O-CB 3.01Å; L195-L199 PolarHBondContact O-N 2.96Å; L199-L201 WeakPolarHBondContact O-CD1 3.45Å; L199-L201 PolarHBondContact O-N 3.21Å; L199-L201 VanDerWaalsContact O-N 3.16Å |
| 200 | G | 54.3 | Low | 63.5 | Low | 48 Ų | 48 | 125.5 Ų | 125.5 | 50% | 0.495 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 70.7 | 8.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116 | Q196 R197 M198 R202 | Q196-G200 PolarHBondContact O-N 2.86Å; R197-G200 PolarHBondContact O-N 3.12Å; M198-G200 PolarHBondContact O-N 3.18Å; G200-R202 PolarHBondContact O-N 2.81Å |
| 201 | L | 58.5 | Low | 62.1 | Low | 151 Ų | 151 | 128.5 Ų | 128.5 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | trans | -80 | 6.7 | -177.4 | -100.9 | 78.1 | 0 | 0 | 0 | 114.6 | Q196 L199 | Q196-L201 PolarHBondContact O-N 3.44Å; L199-L201 WeakPolarHBondContact O-CD1 3.45Å; L199-L201 PolarHBondContact O-N 3.21Å; L199-L201 VanDerWaalsContact O-N 3.16Å | ||
| 202 | R | 50.4 | Low | 60.9 | Low | 181 Ų | 181 | 126.8 Ų | 126.8 | 68% | 0.683 | 62% | 0.618 | S | S | * | * | trans | -136 | 76.5 | 173.5 | -160.3 | 171.8 | -176.7 | 178.8 | -0.6 | 110.8 | G200 | G200-R202 PolarHBondContact O-N 2.81Š| ||
| 203 | R | 48.8 | Very low | 59.5 | Low | 244 Ų | 244 | 126.6 Ų | 126.6 | 92% | 0.921 | 62% | 0.622 | S | S | * | * | trans | -124.6 | 89 | 169.7 | -154.7 | 174.3 | -172.6 | 121.4 | -1.1 | 106.1 | ||||
| 204 | G | 50.6 | Low | 58 | Low | 65 Ų | 65 | 124.3 Ų | 124.3 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | trans | 157.8 | 77 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 205 | S | 45.7 | Very low | 57 | Low | 75 Ų | 75 | 126.1 Ų | 126.1 | 52% | 0.524 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -169.8 | -13.8 | 158.6 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | N207 | S205-N207 VanDerWaalsContact C-N 3.28Å; S205-N207 PolarHBondContact O-N 2.8Å |
| 206 | E | 50.2 | Low | 55.6 | Low | 157 Ų | 157 | 124.5 Ų | 124.5 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -80.2 | -11.8 | -178.9 | -61 | 175.9 | 176 | 0 | 0 | 112.5 | L210 | E206-L210 VanDerWaalsContact O-CD1 3.28Å; E206-L210 WeakPolarHBondContact O-CD1 3.43Å; E206-L210 WeakPolarHBondContact O-CG 3.05Å |
| 207 | N | 53.3 | Low | 54.3 | Low | 115 Ų | 115 | 126.7 Ų | 126.7 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -89.7 | -27.4 | -174.2 | -57.6 | -1.4 | 0 | 0 | 0 | 112.9 | S205 | S205-N207 VanDerWaalsContact C-N 3.28Å; S205-N207 PolarHBondContact O-N 2.8Å |
| 208 | E | 56 | Low | 53 | Low | 165 Ų | 165 | 125.5 Ų | 125.5 | 77% | 0.771 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -80.9 | -33.3 | -178 | -72.2 | -108 | 155.1 | 0 | 0 | 112.2 | ||
| 209 | D | 58.1 | Low | 52 | Low | 114 Ų | 114 | 121.9 Ų | 121.9 | 61% | 0.61 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.8 | -27.4 | -179.1 | -70.3 | -22.1 | 0 | 0 | 0 | 112.8 | ||
| 210 | L | 55.2 | Low | 50.6 | Low | 120 Ų | 120 | 121.4 Ų | 121.4 | 63% | 0.628 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -79.6 | -24 | 179.4 | -66.8 | 173.1 | 0 | 0 | 0 | 113.3 | E206 | E206-L210 VanDerWaalsContact O-CD1 3.28Å; E206-L210 WeakPolarHBondContact O-CD1 3.43Å; E206-L210 WeakPolarHBondContact O-CG 3.05Å |
| 211 | W | 50.8 | Low | 49.7 | Very low | 184 Ų | 184 | 127.3 Ų | 127.3 | 70% | 0.697 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -77.2 | -38.7 | 174.3 | -72.9 | 114.5 | 0 | 0 | 0 | 111.6 | E213 S214 E215 | W211-E213 VanDerWaalsContact C-N 3.34Å; W211-E213 PolarHBondContact O-N 2.78Å; W211-S214 PolarHBondContact O-N 2.81Å; W211-S214 PolarHBondContact O-OG 3.44Å; W211-S214 VanDerWaalsContact O-OG 3.08Å; W211-E215 PolarHBondContact O-N 2.87Å |
| 212 | A | 56.8 | Low | 48.3 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 60% | 0.603 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.3 | -31 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 213 | E | 52.8 | Low | 47.4 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -83.3 | -22.3 | 179.8 | -168 | 158.4 | -172.8 | 0 | 0 | 113.4 | W211 T217 | W211-E213 VanDerWaalsContact C-N 3.34Å; W211-E213 PolarHBondContact O-N 2.78Å; E213-T217 PolarHBondContact O-OG1 3.12Å |
| 214 | S | 49.5 | Very low | 46.8 | Very low | 54 Ų | 54 | 116.7 Ų | 116.7 | 38% | 0.378 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -85 | -22.3 | 180 | 74 | 0 | 0 | 0 | 0 | 114.7 | W211 G216 | W211-S214 PolarHBondContact O-N 2.81Å; W211-S214 PolarHBondContact O-OG 3.44Å; W211-S214 VanDerWaalsContact O-OG 3.08Å; S214-G216 VanDerWaalsContact C-N 3.34Å |
| 215 | E | 50.8 | Low | 46.1 | Very low | 172 Ų | 172 | 120.1 Ų | 120.1 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -21 | 173.2 | -69.1 | -171.6 | 160.3 | 0 | 0 | 112.4 | W211 | W211-E215 PolarHBondContact O-N 2.87Š|
| 216 | G | 50.8 | Low | 45.4 | Very low | 58 Ų | 58 | 127.1 Ų | 127.1 | 60% | 0.598 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -15.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | S214 | S214-G216 VanDerWaalsContact C-N 3.34Š|
| 217 | T | 45.8 | Very low | 44.5 | Very low | 107 Ų | 107 | 124 Ų | 124 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -107.3 | 5.2 | -168.9 | 42.7 | 0 | 0 | 0 | 0 | 115.2 | E213 | E213-T217 PolarHBondContact O-OG1 3.12Š|
| 218 | V | 45.7 | Very low | 44.1 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 83% | 0.83 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -94 | -10.3 | 174.4 | -175.9 | 0 | 0 | 0 | 0 | 112.7 | ||
| 219 | A | 44.4 | Very low | 43.2 | Very low | 79 Ų | 79 | 121.6 Ų | 121.6 | 65% | 0.653 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -101.9 | 114.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 220 | C | 34.8 | Very low | 43 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 76% | 0.757 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 91.6 | 108.6 | 167 | -71.8 | 0 | 0 | 0 | 0 | 119.4 | ||
| 221 | L | 35.1 | Very low | 42.7 | Very low | 172 Ų | 172 | 120.9 Ų | 120.9 | 90% | 0.901 | 74% | 0.739 | S | S | * | * | trans | 71.7 | 129.2 | 136.3 | -50.8 | 167.6 | 0 | 0 | 0 | 115.5 | ||||
| 222 | G | 28.4 | Very low | 43.4 | Very low | 73 Ų | 73 | 120.5 Ų | 120.5 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | cis | 126.6 | 126.9 | 30.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 223 | A | 32.2 | Very low | 44.1 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | trans | 71.8 | 102.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 224 | E | 36.6 | Very low | 44.9 | Very low | 185 Ų | 185 | 122.6 Ų | 122.6 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | 52.6 | 135.7 | 122.3 | -67.9 | 179 | 124.7 | 0 | 0 | 124.2 | |||||
| 225 | D | 34.2 | Very low | 46.2 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | 90.1 | 104.4 | 139.5 | -113.9 | 19.5 | 0 | 0 | 0 | 121.1 | ||||
| 226 | R | 32.2 | Very low | 47.6 | Very low | 222 Ų | 222 | 120.5 Ų | 120.5 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | 165.6 | 124.4 | 102.8 | -90.1 | -168.5 | 174.2 | 168.6 | 0.1 | 115.8 | |||||
| 227 | A | 30.8 | Very low | 49 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | trans | 52.2 | 121.8 | 132.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | T229 | A227-T229 PolarHBondContact O-N 3.21Š| ||
| 228 | A | 46.2 | Very low | 50.6 | Low | 102 Ų | 102 | 124.3 Ų | 124.3 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | trans | -43.1 | 124.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 229 | T | 36.5 | Very low | 52 | Low | 128 Ų | 128 | 123.7 Ų | 123.7 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -124.2 | 110.6 | 148.4 | 56.4 | 0 | 0 | 0 | 0 | 108.6 | A227 A231 | A227-T229 PolarHBondContact O-N 3.21Å; T229-A231 VanDerWaalsContact C-N 3.27Å; T229-A231 PolarHBondContact O-N 2.82Å | ||
| 230 | S | 53 | Low | 53.9 | Low | 125 Ų | 125 | 125.2 Ų | 125.2 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | -62.2 | 88.4 | 169.2 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | K232 | S230-K232 PolarHBondContact O-N 2.82Š| ||
| 231 | A | 49 | Very low | 55.8 | Low | 94 Ų | 94 | 123 Ų | 123 | 78% | 0.777 | 70% | 0.696 | S | S | * | * | trans | -84.2 | 106.1 | 178 | 0 | 0 | 0 | 0 | 0 | 109.3 | T229 S233 | T229-A231 VanDerWaalsContact C-N 3.27Å; T229-A231 PolarHBondContact O-N 2.82Å; A231-S233 PolarHBondContact O-N 2.83Å | ||
| 232 | K | 65.7 | Low | 58.1 | Low | 177 Ų | 177 | 119.3 Ų | 119.3 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | trans | -33.3 | 124.5 | 173.7 | -100.7 | 113.6 | 170.2 | 177.3 | 0 | 112.6 | S230 W234 P235 | S230-K232 PolarHBondContact O-N 2.82Å; K232-W234 HydrophobicContact CB-CB 4.07Å; K232-W234 PolarHBondContact O-N 2.9Å; K232-P235 WeakPolarHBondContact O-CD 3.46Å | ||
| 233 | S | 71.6 | Confident | 60.7 | Low | 68 Ų | 68 | 119.8 Ų | 119.8 | 48% | 0.476 | 67% | 0.665 | S | S | . | * | S | Bend | trans | -63.8 | 19.1 | 164.4 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | A231 P235 I236 F237 | A231-S233 PolarHBondContact O-N 2.83Å; S233-P235 VanDerWaalsContact C-CD 3.44Å; S233-P235 VanDerWaalsContact C-N 3.32Å; S233-I236 WeakPolarHBondContact O-CA 3.43Å; S233-I236 WeakPolarHBondContact O-CB 3.34Å; S233-I236 PolarHBondContact O-N 2.93Å; S233-F237 PolarHBondContact O-N 3.2Å; S233-F237 VanDerWaalsContact O-N 3.08Å |
| 234 | W | 69.5 | Low | 62.9 | Low | 188 Ų | 188 | 121.2 Ų | 121.2 | 71% | 0.712 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -55.9 | -38.8 | 175.7 | -171.9 | 84.5 | 0 | 0 | 0 | 112.8 | K232 I236 F237 L238 | K232-W234 HydrophobicContact CB-CB 4.07Å; K232-W234 PolarHBondContact O-N 2.9Å; W234-I236 VanDerWaalsContact C-N 3.27Å; W234-I236 PolarHBondContact O-N 2.72Å; W234-F237 PolarHBondContact O-N 3.04Å; W234-L238 HydrophobicContact CH2-CD1 3.91Å; W234-L238 HydrophobicContact CZ2-CD1 4.36Å; W234-L238 HydrophobicContact CZ3-CD1 4.04Å; W234-L238 PolarHBondContact O-N 2.99Å; W234-L238 VanDerWaalsContact O-N 3.15Å |
| 235 | P | 77.4 | Confident | 64.7 | Low | 85 Ų | 85 | 113.8 Ų | 113.8 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.7 | -29.1 | 172.8 | -22 | 34.9 | 0 | 0 | 0 | 113.7 | K232 S233 F239 | K232-P235 WeakPolarHBondContact O-CD 3.46Å; S233-P235 VanDerWaalsContact C-CD 3.44Å; S233-P235 VanDerWaalsContact C-N 3.32Å; P235-F239 PolarHBondContact O-N 2.83Å; P235-F239 VanDerWaalsContact O-N 3.14Å |
| 236 | I | 80.3 | Confident | 66.9 | Low | 96 Ų | 96 | 108.4 Ų | 108.4 | 49% | 0.492 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -78.1 | -40.7 | -178.5 | -63.2 | 161.8 | 0 | 0 | 0 | 110.5 | S233 W234 L238 F239 F240 | S233-I236 WeakPolarHBondContact O-CA 3.43Å; S233-I236 WeakPolarHBondContact O-CB 3.34Å; S233-I236 PolarHBondContact O-N 2.93Å; W234-I236 VanDerWaalsContact C-N 3.27Å; W234-I236 PolarHBondContact O-N 2.72Å; I236-L238 VanDerWaalsContact C-N 3.33Å; I236-L238 PolarHBondContact O-N 2.88Å; I236-F239 WeakPolarHBondContact O-CB 3.26Å; I236-F239 PolarHBondContact O-N 2.96Å; I236-F240 HydrophobicContact CG2-CD2 3.89Å; I236-F240 HydrophobicContact CG2-CE2 3.75Å; I236-F240 VanDerWaalsContact O-CD2 3.26Å; I236-F240 WeakPolarHBondContact O-CD2 3.46Å; I236-F240 PolarHBondContact O-N 3.29Å |
| 237 | F | 79.7 | Confident | 69.2 | Low | 157 Ų | 157 | 101.8 Ų | 101.8 | 69% | 0.689 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.3 | -38.5 | 173.7 | -105.2 | -84.4 | 0 | 0 | 0 | 112.3 | S233 W234 F239 F240 A241 | S233-F237 PolarHBondContact O-N 3.2Å; S233-F237 VanDerWaalsContact O-N 3.08Å; W234-F237 PolarHBondContact O-N 3.04Å; F237-F239 VanDerWaalsContact C-N 3.32Å; F237-F239 PolarHBondContact O-N 3.46Å; F237-F240 PolarHBondContact O-N 3.42Å; F237-A241 WeakPolarHBondContact O-CB 3.37Å; F237-A241 PolarHBondContact O-N 2.95Å |
| 238 | L | 78.8 | Confident | 71.5 | Confident | 88 Ų | 88 | 103.7 Ų | 103.7 | 46% | 0.461 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.8 | -42 | 174.1 | -159.9 | 161.3 | 0 | 0 | 0 | 110.8 | W234 I236 A241 V242 | W234-L238 HydrophobicContact CH2-CD1 3.91Å; W234-L238 HydrophobicContact CZ2-CD1 4.36Å; W234-L238 HydrophobicContact CZ3-CD1 4.04Å; W234-L238 PolarHBondContact O-N 2.99Å; W234-L238 VanDerWaalsContact O-N 3.15Å; I236-L238 VanDerWaalsContact C-N 3.33Å; I236-L238 PolarHBondContact O-N 2.88Å; L238-A241 PolarHBondContact O-N 3.24Å; L238-V242 HydrophobicContact CD2-CG2 3.98Å; L238-V242 WeakPolarHBondContact O-CG2 3.14Å; L238-V242 PolarHBondContact O-N 3.28Å |
| 239 | F | 76.1 | Confident | 72.7 | Confident | 125 Ų | 125 | 103.9 Ų | 103.9 | 55% | 0.548 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.4 | -45.1 | 175 | 180 | -103.5 | 0 | 0 | 0 | 112.6 | P235 I236 F237 V242 I243 | P235-F239 PolarHBondContact O-N 2.83Å; P235-F239 VanDerWaalsContact O-N 3.14Å; I236-F239 WeakPolarHBondContact O-CB 3.26Å; I236-F239 PolarHBondContact O-N 2.96Å; F237-F239 VanDerWaalsContact C-N 3.32Å; F237-F239 PolarHBondContact O-N 3.46Å; F239-V242 PolarHBondContact O-N 3.16Å; F239-I243 HydrophobicContact CD1-CD1 3.5Å; F239-I243 VanDerWaalsContact CD1-CD1 3.5Å; F239-I243 HydrophobicContact CD2-CD1 3.85Å; F239-I243 HydrophobicContact CE1-CD1 3.14Å; F239-I243 HydrophobicContact CE2-CD1 3.53Å; F239-I243 HydrophobicContact CG-CD1 3.85Å; F239-I243 HydrophobicContact CZ-CD1 3.18Å; F239-I243 WeakPolarHBondContact O-CB 3.35Å; F239-I243 VanDerWaalsContact O-CG1 3.23Å; F239-I243 WeakPolarHBondContact O-CG1 3.46Å; F239-I243 PolarHBondContact O-N 3.27Å |
| 240 | F | 83.2 | Confident | 74.5 | Confident | 111 Ų | 111 | 102.7 Ų | 102.7 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.8 | -37.2 | 176.6 | -79.3 | -71.7 | 0 | 0 | 0 | 113.2 | I236 F237 V242 I243 L244 | I236-F240 HydrophobicContact CG2-CD2 3.89Å; I236-F240 HydrophobicContact CG2-CE2 3.75Å; I236-F240 VanDerWaalsContact O-CD2 3.26Å; I236-F240 WeakPolarHBondContact O-CD2 3.46Å; I236-F240 PolarHBondContact O-N 3.29Å; F237-F240 PolarHBondContact O-N 3.42Å; F240-V242 VanDerWaalsContact C-N 3.31Å; F240-V242 PolarHBondContact O-N 3.07Å; F240-I243 PolarHBondContact O-N 2.91Å; F240-L244 HydrophobicContact CD1-CD1 4.16Å; F240-L244 WeakPolarHBondContact O-CD1 3.39Å; F240-L244 PolarHBondContact O-N 3.22Å |
| 241 | A | 76.6 | Confident | 75.7 | Confident | 65 Ų | 65 | 104.6 Ų | 104.6 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | F237 L238 G245 | F237-A241 WeakPolarHBondContact O-CB 3.37Å; F237-A241 PolarHBondContact O-N 2.95Å; L238-A241 PolarHBondContact O-N 3.24Å; A241-G245 WeakPolarHBondContact O-CA 3.5Å; A241-G245 PolarHBondContact O-N 3Å |
| 242 | V | 82.3 | Confident | 76.6 | Confident | 94 Ų | 94 | 105.8 Ų | 105.8 | 57% | 0.57 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -74.4 | -35.6 | 176.3 | 174 | 0 | 0 | 0 | 0 | 111.8 | L238 F239 F240 G246 | L238-V242 HydrophobicContact CD2-CG2 3.98Å; L238-V242 WeakPolarHBondContact O-CG2 3.14Å; L238-V242 PolarHBondContact O-N 3.28Å; F239-V242 PolarHBondContact O-N 3.16Å; F240-V242 VanDerWaalsContact C-N 3.31Å; F240-V242 PolarHBondContact O-N 3.07Å; V242-G246 WeakPolarHBondContact O-CA 3.33Å; V242-G246 PolarHBondContact O-N 2.8Å |
| 243 | I | 82.3 | Confident | 76.9 | Confident | 83 Ų | 83 | 103 Ų | 103 | 43% | 0.426 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.5 | -38.4 | -179.1 | -75.3 | 171.3 | 0 | 0 | 0 | 113.1 | F239 F240 P247 | F239-I243 HydrophobicContact CD1-CD1 3.5Å; F239-I243 VanDerWaalsContact CD1-CD1 3.5Å; F239-I243 HydrophobicContact CD2-CD1 3.85Å; F239-I243 HydrophobicContact CE1-CD1 3.14Å; F239-I243 HydrophobicContact CE2-CD1 3.53Å; F239-I243 HydrophobicContact CG-CD1 3.85Å; F239-I243 HydrophobicContact CZ-CD1 3.18Å; F239-I243 WeakPolarHBondContact O-CB 3.35Å; F239-I243 VanDerWaalsContact O-CG1 3.23Å; F239-I243 WeakPolarHBondContact O-CG1 3.46Å; F239-I243 PolarHBondContact O-N 3.27Å; F240-I243 PolarHBondContact O-N 2.91Å; I243-P247 WeakPolarHBondContact O-CD 3.33Å; I243-P247 WeakPolarHBondContact O-CG 3.34Å |
| 244 | L | 79.1 | Confident | 76.7 | Confident | 124 Ų | 124 | 105.2 Ų | 105.2 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -85.7 | -37.6 | 175.3 | -82.6 | 77.9 | 0 | 0 | 0 | 111.3 | F240 | F240-L244 HydrophobicContact CD1-CD1 4.16Å; F240-L244 WeakPolarHBondContact O-CD1 3.39Å; F240-L244 PolarHBondContact O-N 3.22Å |
| 245 | G | 75.3 | Confident | 76.4 | Confident | 30 Ų | 30 | 98.4 Ų | 98.4 | 31% | 0.309 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.2 | -39.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A241 Y248 L249 | A241-G245 WeakPolarHBondContact O-CA 3.5Å; A241-G245 PolarHBondContact O-N 3Å; G245-Y248 PolarHBondContact O-N 3.47Å; G245-L249 VanDerWaalsContact O-CB 3.32Å; G245-L249 WeakPolarHBondContact O-CB 3.49Å; G245-L249 PolarHBondContact O-N 3.46Å |
| 246 | G | 79.1 | Confident | 75.4 | Confident | 25 Ų | 25 | 99.3 Ų | 99.3 | 26% | 0.258 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -56 | -55.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V242 Y248 L249 I250 | V242-G246 WeakPolarHBondContact O-CA 3.33Å; V242-G246 PolarHBondContact O-N 2.8Å; G246-Y248 VanDerWaalsContact C-N 3.33Å; G246-Y248 PolarHBondContact O-N 2.82Å; G246-L249 PolarHBondContact O-N 3.49Å; G246-I250 WeakPolarHBondContact O-CB 3.43Å; G246-I250 VanDerWaalsContact O-CD1 3.31Å; G246-I250 WeakPolarHBondContact O-CD1 3.22Å; G246-I250 WeakPolarHBondContact O-CG1 3.36Å; G246-I250 PolarHBondContact O-N 3.37Å |
| 247 | P | 80.5 | Confident | 74.2 | Confident | 83 Ų | 83 | 101 Ų | 101 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 178.3 | -24.4 | 34.8 | 0 | 0 | 0 | 113.3 | I243 W251 | I243-P247 WeakPolarHBondContact O-CD 3.33Å; I243-P247 WeakPolarHBondContact O-CG 3.34Å; P247-W251 WeakPolarHBondContact O-CB 3.09Å; P247-W251 PolarHBondContact O-N 3.49Å |
| 248 | Y | 80.1 | Confident | 72.9 | Confident | 130 Ų | 130 | 97 Ų | 97 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.7 | -40 | 179.3 | -174.8 | -98 | 0 | 0 | 0 | 112.2 | G245 G246 W251 K252 | G245-Y248 PolarHBondContact O-N 3.47Å; G246-Y248 VanDerWaalsContact C-N 3.33Å; G246-Y248 PolarHBondContact O-N 2.82Å; Y248-W251 HydrophobicContact CD2-CE3 4.27Å; Y248-W251 HydrophobicContact CE2-CE3 4.17Å; Y248-W251 HydrophobicContact CE2-CZ3 4.1Å; Y248-W251 PolarHBondContact O-N 2.89Å; Y248-K252 HydrophobicContact CE1-CD 4.17Å; Y248-K252 VanDerWaalsContact O-CB 3.25Å; Y248-K252 WeakPolarHBondContact O-CB 3.47Å; Y248-K252 PolarHBondContact O-N 3.3Å |
| 249 | L | 71.8 | Confident | 71.7 | Confident | 106 Ų | 106 | 97.6 Ų | 97.6 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.5 | -38.7 | 176.9 | -133.2 | 77.1 | 0 | 0 | 0 | 111.4 | G245 G246 K252 L253 | G245-L249 VanDerWaalsContact O-CB 3.32Å; G245-L249 WeakPolarHBondContact O-CB 3.49Å; G245-L249 PolarHBondContact O-N 3.46Å; G246-L249 PolarHBondContact O-N 3.49Å; L249-K252 PolarHBondContact O-N 2.91Å; L249-L253 HydrophobicContact CG-CD1 4.33Å; L249-L253 WeakPolarHBondContact O-CB 3.36Å; L249-L253 WeakPolarHBondContact O-CD1 3.3Å; L249-L253 PolarHBondContact O-N 2.83Å |
| 250 | I | 73.8 | Confident | 70.5 | Confident | 102 Ų | 102 | 97.9 Ų | 97.9 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 175.3 | -68.4 | 163.5 | 0 | 0 | 0 | 110.3 | G246 K252 L253 L254 | G246-I250 WeakPolarHBondContact O-CB 3.43Å; G246-I250 VanDerWaalsContact O-CD1 3.31Å; G246-I250 WeakPolarHBondContact O-CD1 3.22Å; G246-I250 WeakPolarHBondContact O-CG1 3.36Å; G246-I250 PolarHBondContact O-N 3.37Å; I250-K252 VanDerWaalsContact C-N 3.3Å; I250-K252 PolarHBondContact O-N 2.86Å; I250-L253 PolarHBondContact O-N 3.3Å; I250-L254 HydrophobicContact CG2-CD1 3.5Å; I250-L254 HydrophobicContact CG2-CG 4.19Å; I250-L254 VanDerWaalsContact O-CB 3.29Å; I250-L254 WeakPolarHBondContact O-CB 3.5Å; I250-L254 VanDerWaalsContact O-CG 3.24Å; I250-L254 WeakPolarHBondContact O-CG 3.19Å; I250-L254 PolarHBondContact O-N 3Å |
| 251 | W | 77.3 | Confident | 69 | Low | 165 Ų | 165 | 97.6 Ų | 97.6 | 63% | 0.625 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -38.6 | 175.5 | -179.8 | 67.5 | 0 | 0 | 0 | 111.9 | P247 Y248 S255 | P247-W251 WeakPolarHBondContact O-CB 3.09Å; P247-W251 PolarHBondContact O-N 3.49Å; Y248-W251 HydrophobicContact CD2-CE3 4.27Å; Y248-W251 HydrophobicContact CE2-CE3 4.17Å; Y248-W251 HydrophobicContact CE2-CZ3 4.1Å; Y248-W251 PolarHBondContact O-N 2.89Å; W251-S255 VanDerWaalsContact O-CB 3.27Å; W251-S255 WeakPolarHBondContact O-CB 3.43Å; W251-S255 PolarHBondContact O-N 3.04Å; W251-S255 PolarHBondContact O-OG 3.15Å |
| 252 | K | 68.8 | Low | 67.8 | Low | 120 Ų | 120 | 98.4 Ų | 98.4 | 52% | 0.522 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.6 | -37.5 | 177.4 | -169.4 | 161.7 | -177.8 | 167.5 | 0 | 113.2 | Y248 L249 I250 T256 | Y248-K252 HydrophobicContact CE1-CD 4.17Å; Y248-K252 VanDerWaalsContact O-CB 3.25Å; Y248-K252 WeakPolarHBondContact O-CB 3.47Å; Y248-K252 PolarHBondContact O-N 3.3Å; L249-K252 PolarHBondContact O-N 2.91Å; I250-K252 VanDerWaalsContact C-N 3.3Å; I250-K252 PolarHBondContact O-N 2.86Å; K252-T256 WeakPolarHBondContact O-CG2 3.43Å; K252-T256 PolarHBondContact O-OG1 3.45Å |
| 253 | L | 71.7 | Confident | 66.5 | Low | 118 Ų | 118 | 98.1 Ų | 98.1 | 62% | 0.618 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -77.5 | -33.3 | 176.3 | -100.6 | 104.3 | 0 | 0 | 0 | 113.7 | L249 I250 T256 | L249-L253 HydrophobicContact CG-CD1 4.33Å; L249-L253 WeakPolarHBondContact O-CB 3.36Å; L249-L253 WeakPolarHBondContact O-CD1 3.3Å; L249-L253 PolarHBondContact O-N 2.83Å; I250-L253 PolarHBondContact O-N 3.3Å; L253-T256 VanDerWaalsContact C-OG1 3.31Å; L253-T256 WeakPolarHBondContact CA-OG1 3.27Å; L253-T256 PolarHBondContact O-OG1 3.28Å |
| 254 | L | 67.1 | Low | 65.3 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.7 | -37.5 | 179.6 | -71.5 | 173.4 | 0 | 0 | 0 | 111.6 | I250 T256 H257 S258 | I250-L254 HydrophobicContact CG2-CD1 3.5Å; I250-L254 HydrophobicContact CG2-CG 4.19Å; I250-L254 VanDerWaalsContact O-CB 3.29Å; I250-L254 WeakPolarHBondContact O-CB 3.5Å; I250-L254 VanDerWaalsContact O-CG 3.24Å; I250-L254 WeakPolarHBondContact O-CG 3.19Å; I250-L254 PolarHBondContact O-N 3Å; L254-T256 PolarHBondContact O-N 2.72Å; L254-H257 PolarHBondContact O-N 3.39Å; L254-S258 PolarHBondContact O-N 3.18Å; L254-S258 PolarHBondContact O-OG 3.19Å |
| 255 | S | 63.7 | Low | 64.7 | Low | 46 Ų | 46 | 94.6 Ų | 94.6 | 32% | 0.322 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -25 | 177.9 | -53.5 | 0 | 0 | 0 | 0 | 112.2 | W251 H257 S258 | W251-S255 VanDerWaalsContact O-CB 3.27Å; W251-S255 WeakPolarHBondContact O-CB 3.43Å; W251-S255 PolarHBondContact O-N 3.04Å; W251-S255 PolarHBondContact O-OG 3.15Å; S255-H257 VanDerWaalsContact C-N 3.27Å; S255-H257 PolarHBondContact O-N 2.84Å; S255-S258 PolarHBondContact O-OG 3Å |
| 256 | T | 56.5 | Low | 64.7 | Low | 104 Ų | 104 | 94.2 Ų | 94.2 | 64% | 0.638 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.5 | -9.5 | 176 | 42.4 | 0 | 0 | 0 | 0 | 114.7 | K252 L253 L254 | K252-T256 WeakPolarHBondContact O-CG2 3.43Å; K252-T256 PolarHBondContact O-OG1 3.45Å; L253-T256 VanDerWaalsContact C-OG1 3.31Å; L253-T256 WeakPolarHBondContact CA-OG1 3.27Å; L253-T256 PolarHBondContact O-OG1 3.28Å; L254-T256 PolarHBondContact O-N 2.72Å |
| 257 | H | 54.3 | Low | 64.9 | Low | 131 Ų | 131 | 93.8 Ų | 93.8 | 61% | 0.606 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -120.4 | -11.4 | -175.5 | -140.2 | 30 | 0 | 0 | 0 | 114.4 | L254 S255 E260 | L254-H257 PolarHBondContact O-N 3.39Å; S255-H257 VanDerWaalsContact C-N 3.27Å; S255-H257 PolarHBondContact O-N 2.84Å; H257-E260 IonicContact CE1-OE2 3.74Å; H257-E260 PolarHBondContact CE1-OE2 3.29Å; H257-E260 IonicContact ND1-OE2 3.82Å; H257-E260 PolarHBondContact ND1-OE2 2.68Å |
| 258 | S | 53.8 | Low | 65.1 | Low | 72 Ų | 72 | 89.9 Ų | 89.9 | 50% | 0.503 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -76.9 | -21 | 175.6 | 42.2 | 0 | 0 | 0 | 0 | 114 | L254 S255 | L254-S258 PolarHBondContact O-N 3.18Å; L254-S258 PolarHBondContact O-OG 3.19Å; S255-S258 PolarHBondContact O-OG 3Å |
| 259 | D | 52.8 | Low | 65.1 | Low | 101 Ų | 101 | 86.5 Ų | 86.5 | 54% | 0.54 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -76.8 | -26.8 | -178.3 | -73.4 | -15.5 | 0 | 0 | 0 | 113 | V261 T262 D263 | D259-V261 PolarHBondContact O-N 2.92Å; D259-T262 PolarHBondContact O-N 3.19Å; D259-T262 PolarHBondContact O-OG1 3.31Å; D259-D263 WeakPolarHBondContact O-CB 3.49Å; D259-D263 VanDerWaalsContact O-CG 3.22Å; D259-D263 PolarHBondContact O-N 2.86Å; D259-D263 VanDerWaalsContact O-N 3.09Å |
| 260 | E | 51.6 | Low | 65.4 | Low | 131 Ų | 131 | 82.1 Ų | 82.1 | 61% | 0.612 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67.8 | -32 | -171.3 | -165.4 | 177.2 | 173.4 | 0 | 0 | 113.9 | H257 | H257-E260 IonicContact CE1-OE2 3.74Å; H257-E260 PolarHBondContact CE1-OE2 3.29Å; H257-E260 IonicContact ND1-OE2 3.82Å; H257-E260 PolarHBondContact ND1-OE2 2.68Å |
| 261 | V | 51.8 | Low | 65.7 | Low | 106 Ų | 106 | 80.8 Ų | 80.8 | 64% | 0.642 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -81 | -36.4 | -177.5 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | D259 S264 | D259-V261 PolarHBondContact O-N 2.92Å; V261-S264 PolarHBondContact O-OG 2.85Å |
| 262 | T | 51.3 | Low | 65.9 | Low | 81 Ų | 81 | 74.9 Ų | 74.9 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -75.9 | -31.3 | 177.6 | 37.5 | 0 | 0 | 0 | 0 | 112.8 | D259 S264 I265 N266 | D259-T262 PolarHBondContact O-N 3.19Å; D259-T262 PolarHBondContact O-OG1 3.31Å; T262-S264 PolarHBondContact O-N 2.97Å; T262-I265 PolarHBondContact O-N 2.79Å; T262-N266 PolarHBondContact O-ND2 3.33Å; T262-N266 PolarHBondContact O-OD1 2.81Å; T262-N266 VanDerWaalsContact O-OD1 3.08Å |
| 263 | D | 53.2 | Low | 66.6 | Low | 88 Ų | 88 | 72.2 Ų | 72.2 | 47% | 0.471 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66 | -26.2 | 176 | -73.8 | -14.2 | 0 | 0 | 0 | 113 | D259 I265 N266 | D259-D263 WeakPolarHBondContact O-CB 3.49Å; D259-D263 VanDerWaalsContact O-CG 3.22Å; D259-D263 PolarHBondContact O-N 2.86Å; D259-D263 VanDerWaalsContact O-N 3.09Å; D263-I265 VanDerWaalsContact C-N 3.3Å; D263-I265 PolarHBondContact O-N 3.23Å; D263-N266 PolarHBondContact OD1-ND2 2.82Å |
| 264 | S | 58.1 | Low | 67.4 | Low | 54 Ų | 54 | 67.3 Ų | 67.3 | 38% | 0.378 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.2 | -178 | 72.9 | 0 | 0 | 0 | 0 | 115.3 | V261 T262 W267 | V261-S264 PolarHBondContact O-OG 2.85Å; T262-S264 PolarHBondContact O-N 2.97Å; S264-W267 PolarHBondContact O-NE1 3.35Å |
| 265 | I | 66.8 | Low | 68.5 | Low | 79 Ų | 79 | 62.8 Ų | 62.8 | 41% | 0.405 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -9.9 | -175.9 | -55.7 | 174.2 | 0 | 0 | 0 | 112.6 | T262 D263 W267 A268 T323 | T262-I265 PolarHBondContact O-N 2.79Å; D263-I265 VanDerWaalsContact C-N 3.3Å; D263-I265 PolarHBondContact O-N 3.23Å; I265-W267 PolarHBondContact O-N 3.02Å; I265-A268 HydrophobicContact CG2-CB 4.07Å; I265-A268 VanDerWaalsContact O-CB 3.23Å; I265-A268 WeakPolarHBondContact O-CB 3.06Å; I265-A268 PolarHBondContact O-N 3.41Å; I265-T323 HydrophobicContact CG2-CG2 4.38Å |
| 266 | N | 76 | Confident | 69.9 | Low | 23 Ų | 23 | 60.8 Ų | 60.8 | 12% | 0.123 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.1 | -179.9 | -72.7 | -20.2 | 0 | 0 | 0 | 114.1 | T262 D263 A268 S269 G270 E271 D272 K341 | T262-N266 PolarHBondContact O-ND2 3.33Å; T262-N266 PolarHBondContact O-OD1 2.81Å; T262-N266 VanDerWaalsContact O-OD1 3.08Å; D263-N266 PolarHBondContact OD1-ND2 2.82Å; N266-A268 VanDerWaalsContact C-N 3.31Å; N266-S269 PolarHBondContact O-OG 3Å; N266-S269 VanDerWaalsContact O-OG 3.05Å; N266-G270 PolarHBondContact O-N 3.24Å; N266-E271 HydrophobicContact CB-CB 4.38Å; N266-E271 PolarHBondContact O-N 3.15Å; N266-D272 HydrophobicContact CB-CB 4.14Å; N266-D272 VanDerWaalsContact CB-CG 3.43Å; N266-D272 WeakPolarHBondContact CB-OD2 3.4Å; N266-D272 PolarHBondContact O-N 3.04Å; N266-D272 VanDerWaalsContact O-N 3.15Å; N266-K341 PolarHBondContact ND2-NZ 3.33Å |
| 267 | W | 82.6 | Confident | 71.5 | Confident | 16 Ų | 16 | 55.9 Ų | 55.9 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -27.2 | 172.8 | 64.7 | -94.6 | 0 | 0 | 0 | 112.6 | S264 I265 G270 D272 H274 N300 A302 L315 T323 | S264-W267 PolarHBondContact O-NE1 3.35Å; I265-W267 PolarHBondContact O-N 3.02Å; W267-G270 PolarHBondContact O-N 2.74Å; W267-D272 HydrophobicContact CB-CB 4.3Å; W267-H274 HydrophobicContact CB-CB 4.32Å; W267-H274 WeakPolarHBondContact O-CB 3.26Å; W267-N300 WeakPolarHBondContact CZ3-O 3.35Å; W267-A302 HydrophobicContact CD2-CB 3.84Å; W267-A302 HydrophobicContact CE3-CB 4Å; W267-A302 HydrophobicContact CH2-CB 3.92Å; W267-A302 HydrophobicContact CZ2-CB 3.73Å; W267-A302 HydrophobicContact CZ3-CB 4.04Å; W267-L315 HydrophobicContact CH2-CD2 4.2Å; W267-L315 HydrophobicContact CH2-CG 3.84Å; W267-L315 HydrophobicContact CZ2-CD2 3.68Å; W267-L315 HydrophobicContact CZ2-CG 3.86Å; W267-T323 HydrophobicContact CH2-CG2 3.84Å; W267-T323 HydrophobicContact CZ2-CG2 3.83Å |
| 268 | A | 83.8 | Confident | 73.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -43.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I265 N266 G270 N300 G320 T323 | I265-A268 HydrophobicContact CG2-CB 4.07Å; I265-A268 VanDerWaalsContact O-CB 3.23Å; I265-A268 WeakPolarHBondContact O-CB 3.06Å; I265-A268 PolarHBondContact O-N 3.41Å; N266-A268 VanDerWaalsContact C-N 3.31Å; A268-G270 PolarHBondContact O-N 3.28Å; A268-N300 PolarHBondContact O-ND2 3.37Å; A268-G320 CarbonylContact C-O 3.56Å; A268-G320 WeakPolarHBondContact O-CA 3.43Å; A268-T323 HydrophobicContact CB-CG2 3.83Å |
| 269 | S | 81 | Confident | 75.3 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 42% | 0.42 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -9.5 | 176 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | N266 E271 G320 | N266-S269 PolarHBondContact O-OG 3Å; N266-S269 VanDerWaalsContact O-OG 3.05Å; S269-E271 VanDerWaalsContact C-N 3.33Å; S269-E271 WeakPolarHBondContact OG-CG 3.47Å; S269-G320 PolarHBondContact N-O 3.25Å |
| 270 | G | 77.7 | Confident | 77.1 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 13% | 0.134 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 12.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N266 W267 A268 H274 R340 | N266-G270 PolarHBondContact O-N 3.24Å; W267-G270 PolarHBondContact O-N 2.74Å; A268-G270 PolarHBondContact O-N 3.28Å; G270-H274 VanDerWaalsContact CA-CE1 3.48Å; G270-H274 WeakPolarHBondContact CA-CE1 3.4Å; G270-R340 PolarHBondContact O-N 3.44Å |
| 271 | E | 80.6 | Confident | 78.9 | Confident | 74 Ų | 74 | 46.2 Ų | 46.2 | 35% | 0.346 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -70.8 | -36 | 173.9 | -71.6 | -175.1 | 171.3 | 0 | 0 | 111.9 | N266 S269 G339 R340 K341 | N266-E271 HydrophobicContact CB-CB 4.38Å; N266-E271 PolarHBondContact O-N 3.15Å; S269-E271 VanDerWaalsContact C-N 3.33Å; S269-E271 WeakPolarHBondContact OG-CG 3.47Å; E271-G339 CarbonylContact O-C 3.59Å; E271-G339 WeakPolarHBondContact O-CA 3.17Å; E271-R340 PolarHBondContact O-N 3.23Å; E271-K341 HydrophobicContact CB-CD 3.96Å; E271-K341 HydrophobicContact CB-CG 4.1Å; E271-K341 PolarHBondContact O-N 3.49Å; E271-K341 WeakPolarHBondContact OE2-CE 3.42Å; E271-K341 IonicContact OE2-NZ 2.74Å; E271-K341 PolarHBondContact OE2-NZ 3.3Å |
| 272 | D | 80.3 | Confident | 80.7 | Confident | 42 Ų | 42 | 46.4 Ų | 46.4 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -103 | 172.5 | 175.2 | -70.1 | -8.8 | 0 | 0 | 0 | 112.4 | N266 W267 H274 G339 | N266-D272 HydrophobicContact CB-CB 4.14Å; N266-D272 VanDerWaalsContact CB-CG 3.43Å; N266-D272 WeakPolarHBondContact CB-OD2 3.4Å; N266-D272 PolarHBondContact O-N 3.04Å; N266-D272 VanDerWaalsContact O-N 3.15Å; W267-D272 HydrophobicContact CB-CB 4.3Å; D272-H274 PolarHBondContact O-N 3.11Å; D272-H274 PolarHBondContact O-ND1 2.67Å; D272-G339 VanDerWaalsContact O-CA 3.22Å; D272-G339 WeakPolarHBondContact O-CA 3.44Å |
| 273 | D | 85.1 | Confident | 82.5 | Confident | 64 Ų | 64 | 43 Ų | 43 | 34% | 0.342 | 22% | 0.224 | S | C | . | . | trans | -62 | 120 | 179.3 | -72.8 | 6.9 | 0 | 0 | 0 | 110.3 | L303 K338 G339 | D273-L303 HydrophobicContact CB-CD1 3.88Å; D273-L303 WeakPolarHBondContact O-CD1 3.41Å; D273-K338 WeakPolarHBondContact OD1-CA 3.13Å; D273-K338 VanDerWaalsContact OD1-CG 3.25Å; D273-K338 WeakPolarHBondContact OD1-CG 3.47Å; D273-G339 PolarHBondContact OD1-N 3.34Å | ||
| 274 | H | 88.4 | Confident | 84.2 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 7% | 0.069 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 161.5 | -175.3 | 60.1 | -78.4 | 0 | 0 | 0 | 110.6 | W267 G270 D272 R337 | W267-H274 HydrophobicContact CB-CB 4.32Å; W267-H274 WeakPolarHBondContact O-CB 3.26Å; G270-H274 VanDerWaalsContact CA-CE1 3.48Å; G270-H274 WeakPolarHBondContact CA-CE1 3.4Å; D272-H274 PolarHBondContact O-N 3.11Å; D272-H274 PolarHBondContact O-ND1 2.67Å; H274-R337 PolarHBondContact N-O 3.37Å; H274-R337 PolarHBondContact O-N 3.45Å; H274-R337 VanDerWaalsContact O-O 3.08Å |
| 275 | V | 90.4 | Very high | 85.6 | Confident | 19 Ų | 19 | 41.5 Ų | 41.5 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.8 | 173.8 | 173.1 | 0 | 0 | 0 | 0 | 108.6 | L301 L303 I333 K336 | V275-L301 HydrophobicContact CB-CB 3.98Å; V275-L301 HydrophobicContact CG1-CB 4.41Å; V275-L301 HydrophobicContact CG1-CD1 4.03Å; V275-L301 PolarHBondContact N-O 3.3Å; V275-L301 WeakPolarHBondContact O-CA 3.46Å; V275-L301 WeakPolarHBondContact O-CB 3.46Å; V275-L301 PolarHBondContact O-N 2.92Å; V275-L303 HydrophobicContact CG2-CD2 4.38Å; V275-I333 HydrophobicContact CG1-CG2 3.51Å; V275-K336 HydrophobicContact CG2-CG 3.71Å |
| 276 | V | 91.5 | Very high | 86.4 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.1 | 176.7 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | M298 L334 G335 R337 | V276-M298 HydrophobicContact CG1-CE 3.25Å; V276-L334 HydrophobicContact CG1-CD1 4.23Å; V276-L334 WeakPolarHBondContact O-CB 3.14Å; V276-L334 PolarHBondContact O-N 3.26Å; V276-G335 PolarHBondContact N-O 2.95Å; V276-G335 PolarHBondContact O-N 2.9Å; V276-R337 HydrophobicContact CG2-CB 4.26Å; V276-R337 HydrophobicContact CG2-CG 3.71Å |
| 277 | A | 91.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 155.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L299 L301 V331 K332 | A277-L299 PolarHBondContact N-O 3.17Å; A277-L299 PolarHBondContact O-N 3.46Å; A277-L301 HydrophobicContact CB-CD1 3.51Å; A277-L301 HydrophobicContact CB-CG 4Å; A277-V331 HydrophobicContact CB-CB 4.19Å; A277-V331 HydrophobicContact CB-CG2 4.46Å; A277-K332 CarbonylContact C-O 3.59Å; A277-K332 VanDerWaalsContact CA-O 3.26Å; A277-K332 WeakPolarHBondContact CA-O 3.36Å |
| 278 | R | 93 | Very high | 86.6 | Confident | 137 Ų | 137 | 52.6 Ų | 52.6 | 52% | 0.517 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130.5 | 174.8 | -174.4 | 177.7 | -176.2 | -166.8 | -3.6 | 109.6 | E280 D297 M298 V331 K332 L334 | R278-E280 PolarHBondContact O-N 3.36Å; R278-D297 CarbonylContact C-O 3.13Å; R278-D297 WeakPolarHBondContact CA-O 3.31Å; R278-M298 HydrophobicContact CB-SD 4.04Å; R278-M298 HydrophobicContact CG-SD 4.16Å; R278-V331 CarbonylContact O-C 3.59Å; R278-V331 WeakPolarHBondContact O-CA 3.34Å; R278-K332 PolarHBondContact N-O 3.41Å; R278-K332 PolarHBondContact O-N 3.36Å; R278-L334 HydrophobicContact CB-CD1 3.89Å; R278-L334 HydrophobicContact CB-CD2 4.44Å; R278-L334 HydrophobicContact CB-CG 4.18Å |
| 279 | A | 93.1 | Very high | 86.7 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 3% | 0.025 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 128.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | F293 R294 G296 D297 L299 | A279-F293 HydrophobicContact CB-CD2 3.33Å; A279-F293 HydrophobicContact CB-CE2 3.55Å; A279-F293 HydrophobicContact CB-CG 4.43Å; A279-R294 WeakPolarHBondContact CB-O 3.32Å; A279-G296 PolarHBondContact O-N 3.49Å; A279-D297 HydrophobicContact CB-CB 4.36Å; A279-D297 PolarHBondContact N-O 2.93Å; A279-L299 HydrophobicContact CB-CD1 4.31Å |
| 280 | E | 91 | Very high | 87.1 | Confident | 66 Ų | 66 | 55.5 Ų | 55.5 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -92.3 | -23.3 | 174.4 | -64.9 | -163.1 | 155 | 0 | 0 | 112.2 | R50 R278 Y330 K332 | R50-E280 IonicContact CZ-OE2 4Å; R50-E280 IonicContact NH1-OE1 3.02Å; R50-E280 IonicContact NH1-OE2 3.36Å; R50-E280 PolarHBondContact NH1-OE2 3.34Å; R50-E280 IonicContact NH2-OE2 3.65Å; R278-E280 PolarHBondContact O-N 3.36Å; E280-Y330 PolarHBondContact N-O 3.15Å; E280-K332 HydrophobicContact CG-CB 3.88Å; E280-K332 WeakPolarHBondContact OE1-CB 3.26Å; E280-K332 WeakPolarHBondContact OE1-CD 3.25Å |
| 281 | Y | 89.5 | Confident | 87.6 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 10% | 0.102 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -138 | 160.2 | -176.1 | -52.8 | -87.6 | 0 | 0 | 0 | 110.6 | R50 P52 P53 F293 | R50-Y281 HydrophobicContact CB-CE1 3.91Å; R50-Y281 WeakPolarHBondContact CD-OH 3.42Å; R50-Y281 HydrophobicContact CG-CE1 3.71Å; R50-Y281 WeakPolarHBondContact CG-OH 3.39Å; R50-Y281 PolarHBondContact NE-OH 2.83Å; R50-Y281 PolarHBondContact NH1-OH 3.36Å; P52-Y281 HydrophobicContact CB-CD1 3.94Å; P52-Y281 HydrophobicContact CB-CE1 4.41Å; P52-Y281 HydrophobicContact CB-CG 4.26Å; P53-Y281 HydrophobicContact CG-CE2 4.13Å; Y281-F293 WeakPolarHBondContact O-CE2 3.3Å |
| 282 | D | 89.4 | Confident | 88.1 | Confident | 110 Ų | 110 | 55.9 Ų | 55.9 | 59% | 0.588 | 30% | 0.302 | S | S | * | . | trans | -74.1 | 138 | 171.6 | -59.1 | -34.6 | 0 | 0 | 0 | 110.5 | R294 A295 | D282-R294 VanDerWaalsContact OD1-CA 3.22Å; D282-R294 WeakPolarHBondContact OD1-CA 3.22Å; D282-R294 WeakPolarHBondContact OD1-CB 3.42Å; D282-A295 PolarHBondContact OD1-N 3.17Å | ||
| 283 | F | 89.3 | Confident | 88.7 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -135.7 | 125.6 | 176.5 | -179.9 | -101.5 | 0 | 0 | 0 | 110.5 | I55 E290 I291 S292 F293 W313 P327 Y330 | I55-F283 HydrophobicContact CD1-CE2 4.25Å; F283-E290 HydrophobicContact CE1-CB 4.41Å; F283-I291 WeakPolarHBondContact CD1-O 3.37Å; F283-S292 CarbonylContact O-C 3.56Å; F283-S292 VanDerWaalsContact O-CA 3.29Å; F283-S292 WeakPolarHBondContact O-CA 3.34Å; F283-F293 HydrophobicContact CB-CD1 4.05Å; F283-F293 HydrophobicContact CB-CD2 4.27Å; F283-F293 HydrophobicContact CB-CE1 3.56Å; F283-F293 HydrophobicContact CB-CE2 3.84Å; F283-F293 HydrophobicContact CB-CG 4.39Å; F283-F293 HydrophobicContact CB-CZ 3.47Å; F283-F293 VanDerWaalsContact CB-CZ 3.47Å; F283-F293 HydrophobicContact CD1-CD1 4.11Å; F283-F293 AromaticContact CD1-CE1 3.65Å; F283-F293 HydrophobicContact CD1-CE1 3.65Å; F283-F293 HydrophobicContact CD1-CZ 4.34Å; F283-F293 AromaticContact CG-CE1 3.87Å; F283-F293 HydrophobicContact CG-CE1 3.87Å; F283-F293 HydrophobicContact CG-CZ 4.09Å; F283-F293 PolarHBondContact N-O 3.33Å; F283-F293 PolarHBondContact O-N 3.26Å; F283-F293 VanDerWaalsContact O-O 3.13Å; F283-W313 HydrophobicContact CE2-CH2 4.47Å; F283-W313 HydrophobicContact CZ-CH2 4.04Å; F283-W313 HydrophobicContact CZ-CZ3 4.05Å; F283-P327 HydrophobicContact CD2-CG 3.75Å; F283-P327 HydrophobicContact CE2-CG 3.78Å; F283-P327 HydrophobicContact CG-CG 4.21Å; F283-P327 HydrophobicContact CZ-CG 4.25Å; F283-Y330 HydrophobicContact CB-CD1 4.14Å; F283-Y330 HydrophobicContact CD2-CD1 4.31Å; F283-Y330 HydrophobicContact CD2-CE1 4.35Å |
| 284 | A | 89.4 | Confident | 89 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 60% | 0.603 | 31% | 0.31 | S | S | * | . | trans | -100.5 | 121.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 285 | A | 86.8 | Confident | 89.1 | Confident | 37 Ų | 37 | 61.9 Ų | 61.9 | 31% | 0.306 | 33% | 0.328 | S | S | . | . | trans | -64.3 | 140.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E290 | A285-E290 WeakPolarHBondContact CA-OE2 3.36Å; A285-E290 HydrophobicContact CB-CB 3.71Å; A285-E290 WeakPolarHBondContact CB-O 3.47Å | ||
| 286 | V | 83.4 | Confident | 89 | Confident | 115 Ų | 115 | 62.4 Ų | 62.4 | 70% | 0.697 | 34% | 0.337 | S | S | * | . | trans | -115.9 | -26.4 | 174.6 | 179 | 0 | 0 | 0 | 0 | 110.9 | R58 E290 | R58-V286 VanDerWaalsContact NH1-CB 3.27Å; V286-E290 PolarHBondContact N-OE2 2.84Å | ||
| 287 | S | 81.5 | Confident | 89.1 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 24% | 0.238 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -106.3 | 154.1 | 175.4 | -172.5 | 0 | 0 | 0 | 0 | 110.9 | E289 E290 | S287-E289 PolarHBondContact O-N 2.88Å; S287-E289 PolarHBondContact OG-N 3.42Å; S287-E290 PolarHBondContact N-OE2 3.47Å; S287-E290 WeakPolarHBondContact O-CB 3.38Å; S287-E290 PolarHBondContact O-N 3.31Å |
| 288 | E | 82 | Confident | 89 | Confident | 202 Ų | 202 | 69 Ų | 69 | 94% | 0.944 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19.8 | 170.7 | -61.8 | -179 | -179.6 | 0 | 0 | 112.4 | E290 | E288-E290 VanDerWaalsContact C-N 3.3Š|
| 289 | E | 85.5 | Confident | 89 | Confident | 109 Ų | 109 | 62.5 Ų | 62.5 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -8 | 174.9 | -59.9 | 178.4 | 174.4 | 0 | 0 | 113.2 | S287 G324 L325 | S287-E289 PolarHBondContact O-N 2.88Å; S287-E289 PolarHBondContact OG-N 3.42Å; E289-G324 CarbonylContact O-C 3.6Å; E289-G324 WeakPolarHBondContact O-CA 3.32Å; E289-L325 PolarHBondContact O-N 2.96Å |
| 290 | E | 89.4 | Confident | 88.9 | Confident | 13 Ų | 13 | 64 Ų | 64 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -107.8 | 149.9 | -177.5 | -64.8 | 171.5 | -179 | 0 | 0 | 110.6 | R58 F283 A285 V286 S287 E288 W313 L325 | R58-E290 IonicContact CZ-OE1 2.72Å; R58-E290 IonicContact CZ-OE2 3.41Å; R58-E290 VanDerWaalsContact NH1-CD 3.28Å; R58-E290 IonicContact NH1-OE1 3.3Å; R58-E290 PolarHBondContact NH1-OE1 2.94Å; R58-E290 IonicContact NH1-OE2 3.75Å; R58-E290 PolarHBondContact NH1-OE2 3.23Å; F283-E290 HydrophobicContact CE1-CB 4.41Å; A285-E290 WeakPolarHBondContact CA-OE2 3.36Å; A285-E290 HydrophobicContact CB-CB 3.71Å; A285-E290 WeakPolarHBondContact CB-O 3.47Å; V286-E290 PolarHBondContact N-OE2 2.84Å; S287-E290 PolarHBondContact N-OE2 3.47Å; S287-E290 WeakPolarHBondContact O-CB 3.38Å; S287-E290 PolarHBondContact O-N 3.31Å; E288-E290 VanDerWaalsContact C-N 3.3Å; E290-W313 HydrophobicContact CG-CZ3 4.21Å; E290-L325 WeakPolarHBondContact CA-O 3.3Å |
| 291 | I | 89.3 | Confident | 88.9 | Confident | 18 Ų | 18 | 61 Ų | 61 | 9% | 0.092 | 34% | 0.339 | C | S | . | . | trans | -110.5 | 136.2 | 172.8 | 58.7 | 172 | 0 | 0 | 0 | 111.2 | F283 L299 A316 L318 L325 I326 | F283-I291 WeakPolarHBondContact CD1-O 3.37Å; I291-L299 HydrophobicContact CD1-CD2 4.01Å; I291-A316 HydrophobicContact CD1-CB 3.94Å; I291-L318 HydrophobicContact CD1-CB 4.48Å; I291-L325 PolarHBondContact N-O 3.47Å; I291-I326 HydrophobicContact CD1-CG2 3.62Å; I291-I326 HydrophobicContact CG1-CG2 3.21Å | ||
| 292 | S | 90.8 | Very high | 88.8 | Confident | 77 Ų | 77 | 59.9 Ų | 59.9 | 54% | 0.538 | 34% | 0.336 | S | S | . | . | trans | -84 | 135.9 | 173.8 | 57.1 | 0 | 0 | 0 | 0 | 110.7 | F283 | F283-S292 CarbonylContact O-C 3.56Å; F283-S292 VanDerWaalsContact O-CA 3.29Å; F283-S292 WeakPolarHBondContact O-CA 3.34Å | ||
| 293 | F | 91.8 | Very high | 88.5 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -147.7 | 160.7 | 178.6 | 61.6 | -95 | 0 | 0 | 0 | 111.1 | A279 Y281 F283 L299 L318 I326 V331 | A279-F293 HydrophobicContact CB-CD2 3.33Å; A279-F293 HydrophobicContact CB-CE2 3.55Å; A279-F293 HydrophobicContact CB-CG 4.43Å; Y281-F293 WeakPolarHBondContact O-CE2 3.3Å; F283-F293 HydrophobicContact CB-CD1 4.05Å; F283-F293 HydrophobicContact CB-CD2 4.27Å; F283-F293 HydrophobicContact CB-CE1 3.56Å; F283-F293 HydrophobicContact CB-CE2 3.84Å; F283-F293 HydrophobicContact CB-CG 4.39Å; F283-F293 HydrophobicContact CB-CZ 3.47Å; F283-F293 VanDerWaalsContact CB-CZ 3.47Å; F283-F293 HydrophobicContact CD1-CD1 4.11Å; F283-F293 AromaticContact CD1-CE1 3.65Å; F283-F293 HydrophobicContact CD1-CE1 3.65Å; F283-F293 HydrophobicContact CD1-CZ 4.34Å; F283-F293 AromaticContact CG-CE1 3.87Å; F283-F293 HydrophobicContact CG-CE1 3.87Å; F283-F293 HydrophobicContact CG-CZ 4.09Å; F283-F293 PolarHBondContact N-O 3.33Å; F283-F293 PolarHBondContact O-N 3.26Å; F283-F293 VanDerWaalsContact O-O 3.13Å; F293-L299 HydrophobicContact CB-CD2 4.37Å; F293-L299 HydrophobicContact CD1-CD1 4.27Å; F293-L299 HydrophobicContact CD2-CD1 4.2Å; F293-L299 HydrophobicContact CE2-CD1 4.48Å; F293-L299 HydrophobicContact CG-CD1 4.07Å; F293-L318 HydrophobicContact CB-CD1 3.8Å; F293-I326 HydrophobicContact CD1-CG2 3.86Å; F293-I326 HydrophobicContact CE1-CB 3.75Å; F293-I326 HydrophobicContact CE1-CG2 3.53Å; F293-I326 HydrophobicContact CZ-CB 4.47Å; F293-V331 HydrophobicContact CE2-CG1 4.15Å; F293-V331 HydrophobicContact CZ-CG1 3.99Å |
| 294 | R | 91.9 | Very high | 88 | Confident | 187 Ų | 187 | 66 Ų | 66 | 71% | 0.706 | 36% | 0.359 | S | S | * | . | trans | -110.2 | 157 | 179.2 | -64.9 | -176.4 | -178.4 | -174.4 | 0.6 | 111.9 | A279 D282 G296 D297 | A279-R294 WeakPolarHBondContact CB-O 3.32Å; D282-R294 VanDerWaalsContact OD1-CA 3.22Å; D282-R294 WeakPolarHBondContact OD1-CA 3.22Å; D282-R294 WeakPolarHBondContact OD1-CB 3.42Å; R294-G296 PolarHBondContact O-N 2.83Å; R294-D297 PolarHBondContact N-OD2 2.83Å; R294-D297 VanDerWaalsContact O-CB 3.32Å; R294-D297 WeakPolarHBondContact O-CB 3.42Å; R294-D297 VanDerWaalsContact O-CG 3.28Å; R294-D297 PolarHBondContact O-N 3.19Å | ||
| 295 | A | 90.6 | Very high | 87.4 | Confident | 52 Ų | 52 | 71.1 Ų | 71.1 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 123.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | D282 | D282-A295 PolarHBondContact OD1-N 3.17Š|
| 296 | G | 89.1 | Confident | 86.9 | Confident | 30 Ų | 30 | 74.7 Ų | 74.7 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.7 | -15.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A279 R294 | A279-G296 PolarHBondContact O-N 3.49Å; R294-G296 PolarHBondContact O-N 2.83Å |
| 297 | D | 91.9 | Very high | 86.9 | Confident | 55 Ų | 55 | 70.9 Ų | 70.9 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | trans | -65.5 | 148.3 | 179.8 | -68.6 | -12 | 0 | 0 | 0 | 112 | R278 A279 R294 | R278-D297 CarbonylContact C-O 3.13Å; R278-D297 WeakPolarHBondContact CA-O 3.31Å; A279-D297 HydrophobicContact CB-CB 4.36Å; A279-D297 PolarHBondContact N-O 2.93Å; R294-D297 PolarHBondContact N-OD2 2.83Å; R294-D297 VanDerWaalsContact O-CB 3.32Å; R294-D297 WeakPolarHBondContact O-CB 3.42Å; R294-D297 VanDerWaalsContact O-CG 3.28Å; R294-D297 PolarHBondContact O-N 3.19Å | ||
| 298 | M | 91 | Very high | 86.6 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 43% | 0.433 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.3 | -180 | -67 | -69.1 | -67.7 | 0 | 0 | 109 | V276 R278 L334 | V276-M298 HydrophobicContact CG1-CE 3.25Å; R278-M298 HydrophobicContact CB-SD 4.04Å; R278-M298 HydrophobicContact CG-SD 4.16Å; M298-L334 HydrophobicContact CE-CD1 3.62Å; M298-L334 HydrophobicContact SD-CD1 3.82Å |
| 299 | L | 91.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.3 | -172.9 | -65 | 156.2 | 0 | 0 | 0 | 109.5 | A277 A279 I291 F293 L318 I326 V331 | A277-L299 PolarHBondContact N-O 3.17Å; A277-L299 PolarHBondContact O-N 3.46Å; A279-L299 HydrophobicContact CB-CD1 4.31Å; I291-L299 HydrophobicContact CD1-CD2 4.01Å; F293-L299 HydrophobicContact CB-CD2 4.37Å; F293-L299 HydrophobicContact CD1-CD1 4.27Å; F293-L299 HydrophobicContact CD2-CD1 4.2Å; F293-L299 HydrophobicContact CE2-CD1 4.48Å; F293-L299 HydrophobicContact CG-CD1 4.07Å; L299-L318 HydrophobicContact CD2-CB 3.81Å; L299-L318 HydrophobicContact CD2-CD1 4.25Å; L299-L318 HydrophobicContact CD2-CG 4.12Å; L299-I326 HydrophobicContact CD1-CD1 3.89Å; L299-V331 HydrophobicContact CD1-CG1 3.72Å |
| 300 | N | 91.6 | Very high | 86.1 | Confident | 34 Ų | 34 | 69.2 Ų | 69.2 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126.9 | 170.7 | -64.9 | -22 | 0 | 0 | 0 | 108.2 | W267 A268 A316 S317 | W267-N300 WeakPolarHBondContact CZ3-O 3.35Å; A268-N300 PolarHBondContact O-ND2 3.37Å; N300-A316 CarbonylContact O-C 3.52Å; N300-A316 WeakPolarHBondContact O-CA 3.36Å; N300-S317 PolarHBondContact N-O 3.05Å; N300-S317 PolarHBondContact O-N 3.07Å |
| 301 | L | 90.3 | Very high | 85.6 | Confident | 3 Ų | 3 | 79.2 Ų | 79.2 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 142.2 | -179 | -56.9 | 176.2 | 0 | 0 | 0 | 110 | V275 A277 L314 L315 A316 I326 I333 | V275-L301 HydrophobicContact CB-CB 3.98Å; V275-L301 HydrophobicContact CG1-CB 4.41Å; V275-L301 HydrophobicContact CG1-CD1 4.03Å; V275-L301 PolarHBondContact N-O 3.3Å; V275-L301 WeakPolarHBondContact O-CA 3.46Å; V275-L301 WeakPolarHBondContact O-CB 3.46Å; V275-L301 PolarHBondContact O-N 2.92Å; A277-L301 HydrophobicContact CB-CD1 3.51Å; A277-L301 HydrophobicContact CB-CG 4Å; L301-L314 HydrophobicContact CD1-CD1 4.15Å; L301-L314 HydrophobicContact CD2-CB 4.27Å; L301-L315 WeakPolarHBondContact CA-O 3.31Å; L301-A316 HydrophobicContact CD2-CB 3.44Å; L301-A316 VanDerWaalsContact CD2-CB 3.44Å; L301-I326 HydrophobicContact CD2-CD1 3.74Å; L301-I326 HydrophobicContact CD2-CG1 4.42Å; L301-I333 HydrophobicContact CD1-CG1 4.26Å |
| 302 | A | 88.1 | Confident | 85.3 | Confident | 4 Ų | 4 | 79.7 Ų | 79.7 | 3% | 0.033 | 39% | 0.394 | C | S | . | . | trans | -65.4 | 150.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | W267 Q306 Q307 L315 | W267-A302 HydrophobicContact CD2-CB 3.84Å; W267-A302 HydrophobicContact CE3-CB 4Å; W267-A302 HydrophobicContact CH2-CB 3.92Å; W267-A302 HydrophobicContact CZ2-CB 3.73Å; W267-A302 HydrophobicContact CZ3-CB 4.04Å; A302-Q306 HydrophobicContact CB-CB 4.08Å; A302-Q307 PolarHBondContact O-NE2 2.91Å; A302-L315 HydrophobicContact CB-CB 4.3Å; A302-L315 HydrophobicContact CB-CD2 4.23Å; A302-L315 HydrophobicContact CB-CG 4.49Å; A302-L315 PolarHBondContact N-O 2.83Å; A302-L315 VanDerWaalsContact N-O 3.12Å | ||
| 303 | L | 83.4 | Confident | 85.2 | Confident | 53 Ų | 53 | 76.2 Ų | 76.2 | 28% | 0.277 | 37% | 0.369 | S | S | . | . | trans | -63.2 | 154.9 | 172.6 | -75.3 | 165.8 | 0 | 0 | 0 | 111.3 | D273 V275 E305 Q306 Q307 | D273-L303 HydrophobicContact CB-CD1 3.88Å; D273-L303 WeakPolarHBondContact O-CD1 3.41Å; V275-L303 HydrophobicContact CG2-CD2 4.38Å; L303-E305 PolarHBondContact O-N 2.9Å; L303-Q306 PolarHBondContact O-N 3.43Å; L303-Q307 WeakPolarHBondContact O-CG 3.36Å; L303-Q307 PolarHBondContact O-N 3.34Å | ||
| 304 | K | 78.8 | Confident | 85.1 | Confident | 195 Ų | 195 | 77.7 Ų | 77.7 | 85% | 0.848 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -29.2 | -176.1 | -171.7 | 179.1 | 177.5 | -173.8 | 0 | 114 | ||
| 305 | E | 77.1 | Confident | 85 | Confident | 180 Ų | 180 | 70.5 Ų | 70.5 | 84% | 0.841 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -30.7 | 178.6 | -66.4 | 167.9 | -161.3 | 0 | 0 | 113 | L303 | L303-E305 PolarHBondContact O-N 2.9Š|
| 306 | Q | 77 | Confident | 85 | Confident | 112 Ų | 112 | 68 Ų | 68 | 52% | 0.523 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -1.3 | 180 | -60.8 | -62.8 | -29.8 | 0 | 0 | 112.5 | A302 L303 | A302-Q306 HydrophobicContact CB-CB 4.08Å; L303-Q306 PolarHBondContact O-N 3.43Å |
| 307 | Q | 81.6 | Confident | 85.1 | Confident | 36 Ų | 36 | 66.6 Ų | 66.6 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -75.3 | 134.4 | 178.9 | -72.6 | -70.7 | -20 | 0 | 0 | 110.4 | A302 L303 L315 | A302-Q307 PolarHBondContact O-NE2 2.91Å; L303-Q307 WeakPolarHBondContact O-CG 3.36Å; L303-Q307 PolarHBondContact O-N 3.34Å; Q307-L315 PolarHBondContact NE2-O 2.74Å |
| 308 | P | 76.9 | Confident | 84.9 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 33% | 0.331 | 32% | 0.317 | S | S | . | . | trans | -63.4 | 153.1 | 175.1 | 26.3 | -31.9 | 0 | 0 | 0 | 110.4 | V310 L315 L325 | P308-V310 HydrophobicContact CB-CG2 4.28Å; P308-V310 PolarHBondContact O-N 3.19Å; P308-L315 HydrophobicContact CG-CB 4.37Å; P308-L325 HydrophobicContact CG-CD2 3.74Å | ||
| 309 | K | 75.8 | Confident | 84.4 | Confident | 220 Ų | 220 | 68 Ų | 68 | 96% | 0.957 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -74.1 | 36.6 | -179.2 | -64.4 | -179.8 | -178.9 | 174.5 | 0 | 113.1 | ||
| 310 | V | 79.9 | Confident | 83.8 | Confident | 39 Ų | 39 | 68.5 Ų | 68.5 | 24% | 0.236 | 33% | 0.332 | C | S | . | . | trans | -100.1 | 123.5 | 179.4 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | P59 P308 G312 W313 | P59-V310 HydrophobicContact CB-CG1 3.92Å; P59-V310 HydrophobicContact CG-CG1 3.81Å; P308-V310 HydrophobicContact CB-CG2 4.28Å; P308-V310 PolarHBondContact O-N 3.19Å; V310-G312 PolarHBondContact O-N 3.31Å; V310-W313 HydrophobicContact CB-CB 4.36Å; V310-W313 HydrophobicContact CG1-CB 3.88Å; V310-W313 HydrophobicContact CG1-CG 4.06Å | ||
| 311 | R | 78.8 | Confident | 83.1 | Confident | 223 Ų | 223 | 74.9 Ų | 74.9 | 84% | 0.842 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 127.7 | -176.6 | -70 | -175.4 | 176 | 179 | -0.5 | 110.8 | W313 | R311-W313 PolarHBondContact O-N 2.9Š|
| 312 | G | 82.8 | Confident | 82.7 | Confident | 27 Ų | 27 | 78.1 Ų | 78.1 | 28% | 0.278 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 3.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | V310 A328 | V310-G312 PolarHBondContact O-N 3.31Å; G312-A328 WeakPolarHBondContact O-CB 3.23Å; G312-A328 PolarHBondContact O-N 3.39Å |
| 313 | W | 89.4 | Confident | 82.8 | Confident | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.015 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138.9 | 173.8 | -67.3 | 82.3 | 0 | 0 | 0 | 109 | I55 P57 R58 P59 F283 E290 V310 R311 L325 I326 | I55-W313 HydrophobicContact CG2-CH2 4.27Å; I55-W313 HydrophobicContact CG2-CZ2 4.01Å; P57-W313 PolarHBondContact O-NE1 2.84Å; R58-W313 HydrophobicContact CB-CH2 4.48Å; R58-W313 HydrophobicContact CB-CZ2 4.14Å; R58-W313 HydrophobicContact CG-CH2 3.95Å; R58-W313 HydrophobicContact CG-CZ2 3.8Å; P59-W313 VanDerWaalsContact CD-CE2 3.44Å; P59-W313 HydrophobicContact CG-CB 4.24Å; P59-W313 HydrophobicContact CG-CD2 3.55Å; P59-W313 HydrophobicContact CG-CE3 4.04Å; P59-W313 HydrophobicContact CG-CG 3.59Å; P59-W313 HydrophobicContact CG-CZ2 4.48Å; F283-W313 HydrophobicContact CE2-CH2 4.47Å; F283-W313 HydrophobicContact CZ-CH2 4.04Å; F283-W313 HydrophobicContact CZ-CZ3 4.05Å; E290-W313 HydrophobicContact CG-CZ3 4.21Å; V310-W313 HydrophobicContact CB-CB 4.36Å; V310-W313 HydrophobicContact CG1-CB 3.88Å; V310-W313 HydrophobicContact CG1-CG 4.06Å; R311-W313 PolarHBondContact O-N 2.9Å; W313-L325 HydrophobicContact CE3-CB 3.96Å; W313-I326 CarbonylContact C-O 3.6Å; W313-I326 WeakPolarHBondContact CA-O 3.26Å |
| 314 | L | 89 | Confident | 83 | Confident | 38 Ų | 38 | 78.4 Ų | 78.4 | 20% | 0.199 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.1 | -179.5 | -60.7 | 172.8 | 0 | 0 | 0 | 108.9 | L301 L325 I326 A328 V331 | L301-L314 HydrophobicContact CD1-CD1 4.15Å; L301-L314 HydrophobicContact CD2-CB 4.27Å; L314-L325 CarbonylContact O-C 3.57Å; L314-L325 WeakPolarHBondContact O-CA 3.47Å; L314-I326 HydrophobicContact CB-CG1 4.11Å; L314-I326 PolarHBondContact N-O 3.45Å; L314-I326 WeakPolarHBondContact O-CG1 3.32Å; L314-I326 PolarHBondContact O-N 3.45Å; L314-A328 HydrophobicContact CD1-CB 3.84Å; L314-A328 HydrophobicContact CG-CB 3.96Å; L314-V331 HydrophobicContact CD1-CG2 4.23Å |
| 315 | L | 90.4 | Very high | 83.6 | Confident | 36 Ų | 36 | 69.9 Ų | 69.9 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 123.8 | 169.1 | -172.5 | 64.7 | 0 | 0 | 0 | 109.2 | W267 L301 A302 Q307 P308 L325 | W267-L315 HydrophobicContact CH2-CD2 4.2Å; W267-L315 HydrophobicContact CH2-CG 3.84Å; W267-L315 HydrophobicContact CZ2-CD2 3.68Å; W267-L315 HydrophobicContact CZ2-CG 3.86Å; L301-L315 WeakPolarHBondContact CA-O 3.31Å; A302-L315 HydrophobicContact CB-CB 4.3Å; A302-L315 HydrophobicContact CB-CD2 4.23Å; A302-L315 HydrophobicContact CB-CG 4.49Å; A302-L315 PolarHBondContact N-O 2.83Å; A302-L315 VanDerWaalsContact N-O 3.12Å; Q307-L315 PolarHBondContact NE2-O 2.74Å; P308-L315 HydrophobicContact CG-CB 4.37Å; L315-L325 HydrophobicContact CD1-CD2 4.41Å |
| 316 | A | 90.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 163 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I291 N300 L301 T323 G324 I326 | I291-A316 HydrophobicContact CD1-CB 3.94Å; N300-A316 CarbonylContact O-C 3.52Å; N300-A316 WeakPolarHBondContact O-CA 3.36Å; L301-A316 HydrophobicContact CD2-CB 3.44Å; L301-A316 VanDerWaalsContact CD2-CB 3.44Å; A316-T323 CarbonylContact O-C 3.6Å; A316-T323 WeakPolarHBondContact O-CA 3.28Å; A316-G324 PolarHBondContact N-O 3.12Å; A316-G324 PolarHBondContact O-N 3.28Å; A316-G324 VanDerWaalsContact O-O 3.1Å; A316-I326 HydrophobicContact CB-CB 4.47Å; A316-I326 HydrophobicContact CB-CD1 3.46Å; A316-I326 VanDerWaalsContact CB-CD1 3.46Å; A316-I326 HydrophobicContact CB-CG1 3.67Å; A316-I326 HydrophobicContact CB-CG2 4.01Å |
| 317 | S | 90.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 136.7 | 170.6 | -171.5 | 0 | 0 | 0 | 0 | 110 | N300 G320 T322 | N300-S317 PolarHBondContact N-O 3.05Å; N300-S317 PolarHBondContact O-N 3.07Å; S317-G320 WeakPolarHBondContact OG-CA 3.25Å; S317-G320 PolarHBondContact OG-N 2.76Å; S317-T322 VanDerWaalsContact CA-O 3.31Å; S317-T322 WeakPolarHBondContact CA-O 3.36Å; S317-T322 VanDerWaalsContact CB-O 3.23Å; S317-T322 WeakPolarHBondContact CB-O 3.48Å; S317-T322 PolarHBondContact OG-O 3.37Å |
| 318 | L | 87.6 | Confident | 85.2 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 28% | 0.283 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -92.8 | -52.8 | 176.4 | -169.2 | 155.9 | 0 | 0 | 0 | 110.7 | I291 F293 L299 | I291-L318 HydrophobicContact CD1-CB 4.48Å; F293-L318 HydrophobicContact CB-CD1 3.8Å; L299-L318 HydrophobicContact CD2-CB 3.81Å; L299-L318 HydrophobicContact CD2-CD1 4.25Å; L299-L318 HydrophobicContact CD2-CG 4.12Å |
| 319 | D | 81.1 | Confident | 85.9 | Confident | 119 Ų | 119 | 57 Ų | 57 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -92.6 | 0.2 | -176.2 | -60.3 | -48.4 | 0 | 0 | 0 | 113.5 | Q321 | D319-Q321 PolarHBondContact O-N 2.98Š|
| 320 | G | 78.6 | Confident | 86.5 | Confident | 11 Ų | 11 | 47 Ų | 47 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 72.8 | 1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A268 S269 S317 | A268-G320 CarbonylContact C-O 3.56Å; A268-G320 WeakPolarHBondContact O-CA 3.43Å; S269-G320 PolarHBondContact N-O 3.25Å; S317-G320 WeakPolarHBondContact OG-CA 3.25Å; S317-G320 PolarHBondContact OG-N 2.76Å |
| 321 | Q | 77.6 | Confident | 87 | Confident | 167 Ų | 167 | 45.8 Ų | 45.8 | 78% | 0.78 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -113.4 | -43.8 | 174.7 | -67.6 | -176.4 | -3.9 | 0 | 0 | 111.9 | D319 | D319-Q321 PolarHBondContact O-N 2.98Š|
| 322 | T | 83 | Confident | 87.6 | Confident | 72 Ų | 72 | 40.9 Ų | 40.9 | 44% | 0.442 | 23% | 0.225 | S | C | . | . | trans | -89.1 | 121.9 | -179.7 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | S317 | S317-T322 VanDerWaalsContact CA-O 3.31Å; S317-T322 WeakPolarHBondContact CA-O 3.36Å; S317-T322 VanDerWaalsContact CB-O 3.23Å; S317-T322 WeakPolarHBondContact CB-O 3.48Å; S317-T322 PolarHBondContact OG-O 3.37Å | ||
| 323 | T | 88.8 | Confident | 88.1 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 36% | 0.356 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.7 | 175.1 | 55 | 0 | 0 | 0 | 0 | 109.5 | I265 W267 A268 A316 | I265-T323 HydrophobicContact CG2-CG2 4.38Å; W267-T323 HydrophobicContact CH2-CG2 3.84Å; W267-T323 HydrophobicContact CZ2-CG2 3.83Å; A268-T323 HydrophobicContact CB-CG2 3.83Å; A316-T323 CarbonylContact O-C 3.6Å; A316-T323 WeakPolarHBondContact O-CA 3.28Å |
| 324 | G | 88.7 | Confident | 88 | Confident | 4 Ų | 4 | 49 Ų | 49 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168 | 177 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E289 A316 | E289-G324 CarbonylContact O-C 3.6Å; E289-G324 WeakPolarHBondContact O-CA 3.32Å; A316-G324 PolarHBondContact N-O 3.12Å; A316-G324 PolarHBondContact O-N 3.28Å; A316-G324 VanDerWaalsContact O-O 3.1Å |
| 325 | L | 90.4 | Very high | 87.9 | Confident | 17 Ų | 17 | 48.5 Ų | 48.5 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 135.5 | -172.2 | -62.6 | 171.7 | 0 | 0 | 0 | 110.6 | P59 E289 E290 I291 P308 W313 L314 L315 | P59-L325 HydrophobicContact CB-CD1 4.09Å; P59-L325 HydrophobicContact CG-CD1 3.88Å; E289-L325 PolarHBondContact O-N 2.96Å; E290-L325 WeakPolarHBondContact CA-O 3.3Å; I291-L325 PolarHBondContact N-O 3.47Å; P308-L325 HydrophobicContact CG-CD2 3.74Å; W313-L325 HydrophobicContact CE3-CB 3.96Å; L314-L325 CarbonylContact O-C 3.57Å; L314-L325 WeakPolarHBondContact O-CA 3.47Å; L315-L325 HydrophobicContact CD1-CD2 4.41Å |
| 326 | I | 91.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 149 | 174.1 | 64.5 | 169.4 | 0 | 0 | 0 | 111.3 | I291 F293 L299 L301 W313 L314 A316 A328 V331 | I291-I326 HydrophobicContact CD1-CG2 3.62Å; I291-I326 HydrophobicContact CG1-CG2 3.21Å; F293-I326 HydrophobicContact CD1-CG2 3.86Å; F293-I326 HydrophobicContact CE1-CB 3.75Å; F293-I326 HydrophobicContact CE1-CG2 3.53Å; F293-I326 HydrophobicContact CZ-CB 4.47Å; L299-I326 HydrophobicContact CD1-CD1 3.89Å; L301-I326 HydrophobicContact CD2-CD1 3.74Å; L301-I326 HydrophobicContact CD2-CG1 4.42Å; W313-I326 CarbonylContact C-O 3.6Å; W313-I326 WeakPolarHBondContact CA-O 3.26Å; L314-I326 HydrophobicContact CB-CG1 4.11Å; L314-I326 PolarHBondContact N-O 3.45Å; L314-I326 WeakPolarHBondContact O-CG1 3.32Å; L314-I326 PolarHBondContact O-N 3.45Å; A316-I326 HydrophobicContact CB-CB 4.47Å; A316-I326 HydrophobicContact CB-CD1 3.46Å; A316-I326 VanDerWaalsContact CB-CD1 3.46Å; A316-I326 HydrophobicContact CB-CG1 3.67Å; A316-I326 HydrophobicContact CB-CG2 4.01Å; I326-A328 PolarHBondContact O-N 2.86Å; I326-V331 HydrophobicContact CD1-CB 4.43Å; I326-V331 HydrophobicContact CD1-CG1 3.64Å; I326-V331 HydrophobicContact CD1-CG2 4.05Å |
| 327 | P | 90.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.013 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 128 | 175.7 | 23.3 | -27.2 | 0 | 0 | 0 | 111.2 | F283 N329 Y330 | F283-P327 HydrophobicContact CD2-CG 3.75Å; F283-P327 HydrophobicContact CE2-CG 3.78Å; F283-P327 HydrophobicContact CG-CG 4.21Å; F283-P327 HydrophobicContact CZ-CG 4.25Å; P327-N329 PolarHBondContact O-N 2.86Å; P327-Y330 HydrophobicContact CB-CD2 3.89Å; P327-Y330 HydrophobicContact CB-CG 4.34Å; P327-Y330 HydrophobicContact CG-CD1 4.36Å; P327-Y330 HydrophobicContact CG-CD2 3.72Å; P327-Y330 HydrophobicContact CG-CE2 4.44Å; P327-Y330 HydrophobicContact CG-CG 3.72Å; P327-Y330 PolarHBondContact O-N 3.25Å; P327-Y330 VanDerWaalsContact O-N 3.12Å |
| 328 | A | 88.9 | Confident | 86.8 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 26% | 0.264 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -60 | -30.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G312 L314 I326 Y330 | G312-A328 WeakPolarHBondContact O-CB 3.23Å; G312-A328 PolarHBondContact O-N 3.39Å; L314-A328 HydrophobicContact CD1-CB 3.84Å; L314-A328 HydrophobicContact CG-CB 3.96Å; I326-A328 PolarHBondContact O-N 2.86Å; A328-Y330 PolarHBondContact O-N 2.86Å |
| 329 | N | 90.6 | Very high | 86.3 | Confident | 74 Ų | 74 | 66 Ų | 66 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -72.1 | -12.8 | -178.7 | -63.9 | -15.3 | 0 | 0 | 0 | 113.7 | P53 P327 | P53-N329 HydrophobicContact CG-CB 4.16Å; P327-N329 PolarHBondContact O-N 2.86Å |
| 330 | Y | 88.6 | Confident | 85.7 | Confident | 11 Ų | 11 | 68.8 Ų | 68.8 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -99.8 | -7.1 | -175 | -78.7 | -123.9 | 0 | 0 | 0 | 112.3 | P52 P53 I55 E280 F283 P327 A328 | P52-Y330 HydrophobicContact CB-CE1 4.19Å; P53-Y330 HydrophobicContact CG-CD2 4.35Å; P53-Y330 HydrophobicContact CG-CE2 4.03Å; P53-Y330 WeakPolarHBondContact O-CE2 3.28Å; P53-Y330 PolarHBondContact O-OH 3.06Å; I55-Y330 HydrophobicContact CG1-CE2 3.83Å; I55-Y330 WeakPolarHBondContact CG1-OH 3.02Å; E280-Y330 PolarHBondContact N-O 3.15Å; F283-Y330 HydrophobicContact CB-CD1 4.14Å; F283-Y330 HydrophobicContact CD2-CD1 4.31Å; F283-Y330 HydrophobicContact CD2-CE1 4.35Å; P327-Y330 HydrophobicContact CB-CD2 3.89Å; P327-Y330 HydrophobicContact CB-CG 4.34Å; P327-Y330 HydrophobicContact CG-CD1 4.36Å; P327-Y330 HydrophobicContact CG-CD2 3.72Å; P327-Y330 HydrophobicContact CG-CE2 4.44Å; P327-Y330 HydrophobicContact CG-CG 3.72Å; P327-Y330 PolarHBondContact O-N 3.25Å; P327-Y330 VanDerWaalsContact O-N 3.12Å; A328-Y330 PolarHBondContact O-N 2.86Å |
| 331 | V | 90.8 | Very high | 84.9 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 140.4 | -174.9 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | A277 R278 F293 L299 L314 I326 | A277-V331 HydrophobicContact CB-CB 4.19Å; A277-V331 HydrophobicContact CB-CG2 4.46Å; R278-V331 CarbonylContact O-C 3.59Å; R278-V331 WeakPolarHBondContact O-CA 3.34Å; F293-V331 HydrophobicContact CE2-CG1 4.15Å; F293-V331 HydrophobicContact CZ-CG1 3.99Å; L299-V331 HydrophobicContact CD1-CG1 3.72Å; L314-V331 HydrophobicContact CD1-CG2 4.23Å; I326-V331 HydrophobicContact CD1-CB 4.43Å; I326-V331 HydrophobicContact CD1-CG1 3.64Å; I326-V331 HydrophobicContact CD1-CG2 4.05Å |
| 332 | K | 92 | Very high | 84.1 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 52% | 0.517 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 116.8 | 172.7 | -174 | 176.1 | -170.4 | 164 | 0 | 109.7 | A277 R278 E280 L334 | A277-K332 CarbonylContact C-O 3.59Å; A277-K332 VanDerWaalsContact CA-O 3.26Å; A277-K332 WeakPolarHBondContact CA-O 3.36Å; R278-K332 PolarHBondContact N-O 3.41Å; R278-K332 PolarHBondContact O-N 3.36Å; E280-K332 HydrophobicContact CG-CB 3.88Å; E280-K332 WeakPolarHBondContact OE1-CB 3.26Å; E280-K332 WeakPolarHBondContact OE1-CD 3.25Å; K332-L334 PolarHBondContact O-N 2.94Å |
| 333 | I | 91.8 | Very high | 83 | Confident | 106 Ų | 106 | 66.1 Ų | 66.1 | 54% | 0.544 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 123 | 175.6 | -59.8 | 169.6 | 0 | 0 | 0 | 108.9 | V275 L301 | V275-I333 HydrophobicContact CG1-CG2 3.51Å; L301-I333 HydrophobicContact CD1-CG1 4.26Å |
| 334 | L | 88.4 | Confident | 81.6 | Confident | 95 Ų | 95 | 67.9 Ų | 67.9 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | -29.3 | 178.8 | -63.4 | 178.5 | 0 | 0 | 0 | 112.1 | V276 R278 M298 K332 | V276-L334 HydrophobicContact CG1-CD1 4.23Å; V276-L334 WeakPolarHBondContact O-CB 3.14Å; V276-L334 PolarHBondContact O-N 3.26Å; R278-L334 HydrophobicContact CB-CD1 3.89Å; R278-L334 HydrophobicContact CB-CD2 4.44Å; R278-L334 HydrophobicContact CB-CG 4.18Å; M298-L334 HydrophobicContact CE-CD1 3.62Å; M298-L334 HydrophobicContact SD-CD1 3.82Å; K332-L334 PolarHBondContact O-N 2.94Å |
| 335 | G | 86.3 | Confident | 80.2 | Confident | 29 Ų | 29 | 71.4 Ų | 71.4 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149 | 172.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | V276 | V276-G335 PolarHBondContact N-O 2.95Å; V276-G335 PolarHBondContact O-N 2.9Å |
| 336 | K | 86.9 | Confident | 78.7 | Confident | 174 Ų | 174 | 73.3 Ų | 73.3 | 76% | 0.757 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 133.2 | 174 | -67.6 | 173.2 | 180 | -166.1 | 0 | 109.7 | V275 | V275-K336 HydrophobicContact CG2-CG 3.71Å |
| 337 | R | 82.4 | Confident | 77.2 | Confident | 154 Ų | 154 | 79.8 Ų | 79.8 | 58% | 0.581 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.2 | 169.9 | -71.3 | -161.8 | -179.9 | -177.6 | -3.1 | 109.6 | H274 V276 | H274-R337 PolarHBondContact N-O 3.37Å; H274-R337 PolarHBondContact O-N 3.45Å; H274-R337 VanDerWaalsContact O-O 3.08Å; V276-R337 HydrophobicContact CG2-CB 4.26Å; V276-R337 HydrophobicContact CG2-CG 3.71Å |
| 338 | K | 79.8 | Confident | 75.6 | Confident | 129 Ų | 129 | 85.8 Ų | 85.8 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | trans | -76.1 | 133.9 | 175.4 | -161.8 | 172 | -176.5 | 174.5 | 0 | 109.1 | D273 T342 V343 | D273-K338 WeakPolarHBondContact OD1-CA 3.13Å; D273-K338 VanDerWaalsContact OD1-CG 3.25Å; D273-K338 WeakPolarHBondContact OD1-CG 3.47Å; K338-T342 HydrophobicContact CD-CG2 4.44Å; K338-V343 HydrophobicContact CB-CG2 4.48Å | ||
| 339 | G | 75.5 | Confident | 74 | Confident | 0 Ų | 0 | 89 Ų | 89 | 0% | 0 | 44% | 0.443 | C | S | . | . | trans | -59.5 | 148 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E271 D272 D273 K341 T342 V343 | E271-G339 CarbonylContact O-C 3.59Å; E271-G339 WeakPolarHBondContact O-CA 3.17Å; D272-G339 VanDerWaalsContact O-CA 3.22Å; D272-G339 WeakPolarHBondContact O-CA 3.44Å; D273-G339 PolarHBondContact OD1-N 3.34Å; G339-K341 VanDerWaalsContact C-N 3.32Å; G339-K341 PolarHBondContact O-N 3.44Å; G339-T342 PolarHBondContact O-N 3.43Å; G339-V343 WeakPolarHBondContact O-CG2 3.47Å; G339-V343 PolarHBondContact O-N 2.9Å; G339-V343 VanDerWaalsContact O-N 3.16Å | ||
| 340 | R | 68.8 | Low | 72.2 | Confident | 178 Ų | 178 | 94.4 Ų | 94.4 | 67% | 0.672 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.8 | -37.6 | -179.1 | -170.3 | 174.3 | 176.8 | 155.8 | -0.2 | 112.5 | G270 E271 T342 V343 E344 | G270-R340 PolarHBondContact O-N 3.44Å; E271-R340 PolarHBondContact O-N 3.23Å; R340-T342 PolarHBondContact O-N 3.17Å; R340-V343 PolarHBondContact O-N 2.96Å; R340-E344 WeakPolarHBondContact CG-OE2 3.13Å; R340-E344 IonicContact NE-OE2 3.99Å; R340-E344 PolarHBondContact NE-OE2 2.8Å; R340-E344 VanDerWaalsContact NE-OE2 3.1Å; R340-E344 WeakPolarHBondContact O-CG 3.49Å; R340-E344 PolarHBondContact O-N 3.36Å |
| 341 | K | 62.4 | Low | 70 | Confident | 90 Ų | 90 | 101.7 Ų | 101.7 | 39% | 0.391 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 175.8 | -76.4 | 176.4 | 170.1 | 158.1 | 0 | 110.9 | N266 E271 G339 V343 E344 S345 | N266-K341 PolarHBondContact ND2-NZ 3.33Å; E271-K341 HydrophobicContact CB-CD 3.96Å; E271-K341 HydrophobicContact CB-CG 4.1Å; E271-K341 PolarHBondContact O-N 3.49Å; E271-K341 WeakPolarHBondContact OE2-CE 3.42Å; E271-K341 IonicContact OE2-NZ 2.74Å; E271-K341 PolarHBondContact OE2-NZ 3.3Å; G339-K341 VanDerWaalsContact C-N 3.32Å; G339-K341 PolarHBondContact O-N 3.44Å; K341-V343 VanDerWaalsContact C-N 3.29Å; K341-V343 PolarHBondContact O-N 3.38Å; K341-E344 PolarHBondContact O-N 2.74Å; K341-S345 PolarHBondContact O-N 2.88Å; K341-S345 PolarHBondContact O-OG 2.85Å |
| 342 | T | 60 | Low | 67.4 | Low | 52 Ų | 52 | 109.7 Ų | 109.7 | 32% | 0.319 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.1 | -32.3 | -179.8 | -31.9 | 0 | 0 | 0 | 0 | 112.8 | K338 G339 R340 S346 | K338-T342 HydrophobicContact CD-CG2 4.44Å; G339-T342 PolarHBondContact O-N 3.43Å; R340-T342 PolarHBondContact O-N 3.17Å; T342-S346 WeakPolarHBondContact O-CB 3.06Å; T342-S346 PolarHBondContact O-N 2.92Å; T342-S346 PolarHBondContact O-OG 2.8Å |
| 343 | V | 61.3 | Low | 64.9 | Low | 52 Ų | 52 | 108.5 Ų | 108.5 | 32% | 0.315 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.3 | -41.5 | 175.4 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | K338 G339 R340 K341 S346 K347 | K338-V343 HydrophobicContact CB-CG2 4.48Å; G339-V343 WeakPolarHBondContact O-CG2 3.47Å; G339-V343 PolarHBondContact O-N 2.9Å; G339-V343 VanDerWaalsContact O-N 3.16Å; R340-V343 PolarHBondContact O-N 2.96Å; K341-V343 VanDerWaalsContact C-N 3.29Å; K341-V343 PolarHBondContact O-N 3.38Å; V343-S346 PolarHBondContact O-N 2.64Å; V343-S346 PolarHBondContact O-OG 3.19Å; V343-K347 PolarHBondContact O-N 2.85Å |
| 344 | E | 59.7 | Low | 62.1 | Low | 95 Ų | 95 | 108.8 Ų | 108.8 | 44% | 0.444 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.5 | -44.3 | 178.3 | -70 | -168 | 56.8 | 0 | 0 | 112 | R340 K341 S346 K347 I348 | R340-E344 WeakPolarHBondContact CG-OE2 3.13Å; R340-E344 IonicContact NE-OE2 3.99Å; R340-E344 PolarHBondContact NE-OE2 2.8Å; R340-E344 VanDerWaalsContact NE-OE2 3.1Å; R340-E344 WeakPolarHBondContact O-CG 3.49Å; R340-E344 PolarHBondContact O-N 3.36Å; K341-E344 PolarHBondContact O-N 2.74Å; E344-S346 VanDerWaalsContact C-N 3.26Å; E344-S346 PolarHBondContact O-N 2.94Å; E344-K347 PolarHBondContact O-N 2.68Å; E344-K347 VanDerWaalsContact O-N 3.07Å; E344-I348 WeakPolarHBondContact O-CD1 3.44Å; E344-I348 VanDerWaalsContact O-CG1 3.3Å; E344-I348 WeakPolarHBondContact O-CG1 3.43Å; E344-I348 PolarHBondContact O-N 3.4Å |
| 345 | S | 58.6 | Low | 59.6 | Low | 78 Ų | 78 | 113.3 Ų | 113.3 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.9 | -38 | 173 | -51.5 | 0 | 0 | 0 | 0 | 112.3 | K341 S349 | K341-S345 PolarHBondContact O-N 2.88Å; K341-S345 PolarHBondContact O-OG 2.85Å; S345-S349 PolarHBondContact O-N 3.45Å; S345-S349 VanDerWaalsContact O-N 3.15Å |
| 346 | S | 58.8 | Low | 57.1 | Low | 57 Ų | 57 | 118 Ų | 118 | 40% | 0.399 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.6 | -28.4 | 176.9 | 76.6 | 0 | 0 | 0 | 0 | 114 | T342 V343 E344 | T342-S346 WeakPolarHBondContact O-CB 3.06Å; T342-S346 PolarHBondContact O-N 2.92Å; T342-S346 PolarHBondContact O-OG 2.8Å; V343-S346 PolarHBondContact O-N 2.64Å; V343-S346 PolarHBondContact O-OG 3.19Å; E344-S346 VanDerWaalsContact C-N 3.26Å; E344-S346 PolarHBondContact O-N 2.94Å |
| 347 | K | 59.2 | Low | 54.5 | Low | 135 Ų | 135 | 117.3 Ų | 117.3 | 59% | 0.587 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -76.6 | -40.2 | 174.5 | -80.8 | -178.1 | 177.7 | -179.1 | 0 | 111.7 | V343 E344 S349 K350 Q351 | V343-K347 PolarHBondContact O-N 2.85Å; E344-K347 PolarHBondContact O-N 2.68Å; E344-K347 VanDerWaalsContact O-N 3.07Å; K347-S349 VanDerWaalsContact C-N 3.29Å; K347-S349 PolarHBondContact O-N 2.99Å; K347-K350 PolarHBondContact O-N 3.31Å; K347-Q351 PolarHBondContact O-N 3.24Å |
| 348 | I | 56.3 | Low | 52.8 | Low | 128 Ų | 128 | 115.8 Ų | 115.8 | 66% | 0.656 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.1 | -39.1 | 176.3 | -69.4 | 157 | 0 | 0 | 0 | 110.4 | E344 K350 Q351 | E344-I348 WeakPolarHBondContact O-CD1 3.44Å; E344-I348 VanDerWaalsContact O-CG1 3.3Å; E344-I348 WeakPolarHBondContact O-CG1 3.43Å; E344-I348 PolarHBondContact O-N 3.4Å; I348-K350 PolarHBondContact O-N 3.25Å; I348-Q351 PolarHBondContact O-N 3.49Å |
| 349 | S | 55 | Low | 50.4 | Low | 101 Ų | 101 | 116.5 Ų | 116.5 | 71% | 0.706 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -14.3 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 114.5 | S345 K347 | S345-S349 PolarHBondContact O-N 3.45Å; S345-S349 VanDerWaalsContact O-N 3.15Å; K347-S349 VanDerWaalsContact C-N 3.29Å; K347-S349 PolarHBondContact O-N 2.99Å |
| 350 | K | 53.2 | Low | 48.3 | Very low | 186 Ų | 186 | 123.9 Ų | 123.9 | 81% | 0.809 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -5.8 | -179.1 | -79.5 | -175 | 176.9 | -176 | 0 | 114.5 | K347 I348 | K347-K350 PolarHBondContact O-N 3.31Å; I348-K350 PolarHBondContact O-N 3.25Å |
| 351 | Q | 42.8 | Very low | 46.5 | Very low | 164 Ų | 164 | 122 Ų | 122 | 77% | 0.766 | 67% | 0.666 | S | S | * | * | trans | -109.3 | 39.7 | -179.4 | -81.6 | -172 | -20.8 | 0 | 0 | 113.2 | K347 I348 P353 | K347-Q351 PolarHBondContact O-N 3.24Å; I348-Q351 PolarHBondContact O-N 3.49Å; Q351-P353 VanDerWaalsContact O-CD 3.22Å; Q351-P353 WeakPolarHBondContact O-CD 3.48Å | ||
| 352 | Q | 35.3 | Very low | 45 | Very low | 181 Ų | 181 | 127.5 Ų | 127.5 | 85% | 0.846 | 69% | 0.69 | S | S | * | * | trans | -93.2 | 104.7 | 163.7 | -158.1 | 166.3 | -5.6 | 0 | 0 | 108.3 | S354 | Q352-S354 PolarHBondContact O-N 3.35Š| ||
| 353 | P | 39.7 | Very low | 43.4 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 61% | 0.61 | 71% | 0.711 | S | S | * | * | trans | -69.8 | 120.8 | 175.3 | 27.2 | -31.1 | 0 | 0 | 0 | 109.4 | Q351 F355 | Q351-P353 VanDerWaalsContact O-CD 3.22Å; Q351-P353 WeakPolarHBondContact O-CD 3.48Å; P353-F355 HydrophobicContact CG-CE2 4.46Å; P353-F355 PolarHBondContact O-N 3.44Å; P353-F355 VanDerWaalsContact O-N 3.11Å | ||
| 354 | S | 32.9 | Very low | 42 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | -62.1 | 102.3 | 167.7 | 47.9 | 0 | 0 | 0 | 0 | 110.2 | Q352 | Q352-S354 PolarHBondContact O-N 3.35Š| ||
| 355 | F | 36.6 | Very low | 40.8 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | -95.7 | 99 | 155.9 | -75.1 | -78.4 | 0 | 0 | 0 | 108.3 | P353 | P353-F355 HydrophobicContact CG-CE2 4.46Å; P353-F355 PolarHBondContact O-N 3.44Å; P353-F355 VanDerWaalsContact O-N 3.11Å | ||
| 356 | T | 33.9 | Very low | 39.7 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -141.6 | 114.6 | 161.1 | 48.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 357 | N | 32.1 | Very low | 39.1 | Very low | 158 Ų | 158 | 137 Ų | 137 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -60.2 | 149.6 | 165.7 | -70 | -28.2 | 0 | 0 | 0 | 110.2 | ||||
| 358 | P | 46.6 | Very low | 38.4 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -89.9 | 128.9 | -179.8 | 33.9 | -28.2 | 0 | 0 | 0 | 110.6 | ||||
| 359 | T | 29.4 | Very low | 38 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | trans | -134.4 | 124.7 | 152.8 | -33 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 360 | L | 32.4 | Very low | 37.6 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | trans | -65.1 | 130 | -176.1 | 174.4 | 74.9 | 0 | 0 | 0 | 113.9 | ||||
| 361 | T | 30.1 | Very low | 37.4 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -161.8 | 98 | 140.1 | 32.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 362 | K | 30.1 | Very low | 37.9 | Very low | 206 Ų | 206 | 133.7 Ų | 133.7 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | 45.3 | 109.6 | 125.1 | -145.8 | 176.2 | -171.5 | -179.1 | 0 | 120 | |||||
| 363 | G | 27.9 | Very low | 38.4 | Very low | 74 Ų | 74 | 131.7 Ų | 131.7 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | 109.9 | 111.7 | 120.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 364 | A | 31 | Very low | 38.9 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 77.7 | 107 | 139.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 365 | T | 35.7 | Very low | 39.8 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 36.8 | 121.4 | 131.5 | 57.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 366 | V | 35.4 | Very low | 40.3 | Very low | 131 Ų | 131 | 126 Ų | 126 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | -157.6 | 118.8 | 117.5 | 175.3 | 0 | 0 | 0 | 0 | 108 | D368 | V366-D368 HydrophobicContact CG1-CB 4.21Š| |||
| 367 | A | 45.5 | Very low | 40.7 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -89.9 | 101.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 368 | D | 45 | Very low | 41.3 | Very low | 127 Ų | 127 | 128 Ų | 128 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | trans | 178.1 | 114.3 | 159.4 | -127.9 | -9.6 | 0 | 0 | 0 | 107.6 | V366 | V366-D368 HydrophobicContact CG1-CB 4.21Š| ||
| 369 | S | 47.7 | Very low | 41.4 | Very low | 82 Ų | 82 | 126 Ų | 126 | 57% | 0.573 | 73% | 0.73 | S | S | * | * | trans | 166.5 | 50.5 | 163.1 | 43.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 370 | L | 45.5 | Very low | 42.3 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -116.1 | -16.9 | 162.6 | -88.3 | 166.5 | 0 | 0 | 0 | 113.1 | ||
| 371 | D | 50.6 | Low | 42.8 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -87.7 | -12 | 178.1 | -61.8 | -35.3 | 0 | 0 | 0 | 113.7 | ||
| 372 | E | 52.8 | Low | 43.6 | Very low | 162 Ų | 162 | 125.1 Ų | 125.1 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -13.6 | -178.5 | -145 | 173.7 | -171.6 | 0 | 0 | 113.5 | ||
| 373 | Q | 45.8 | Very low | 44.3 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -16.1 | 176.3 | -73.3 | -175.2 | 42.7 | 0 | 0 | 113.4 | ||
| 374 | E | 49.8 | Very low | 44.9 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -32.3 | 178.9 | -147.4 | 170.8 | -170.4 | 0 | 0 | 111.9 | A376 F377 | E374-A376 VanDerWaalsContact C-N 3.34Å; E374-A376 PolarHBondContact O-N 3.43Å; E374-F377 PolarHBondContact O-N 2.88Å |
| 375 | A | 51.3 | Low | 45.5 | Very low | 70 Ų | 70 | 129.3 Ų | 129.3 | 58% | 0.579 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -72.5 | -22.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 376 | A | 48 | Very low | 45.5 | Very low | 56 Ų | 56 | 132.7 Ų | 132.7 | 46% | 0.463 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -79.7 | -18.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E374 S379 | E374-A376 VanDerWaalsContact C-N 3.34Å; E374-A376 PolarHBondContact O-N 3.43Å; A376-S379 PolarHBondContact O-OG 2.89Å |
| 377 | F | 41.9 | Very low | 45.9 | Very low | 167 Ų | 167 | 132 Ų | 132 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -89.9 | -26.8 | 179.6 | -100.5 | -90 | 0 | 0 | 0 | 113.6 | E374 | E374-F377 PolarHBondContact O-N 2.88Å |
| 378 | E | 45.8 | Very low | 45.5 | Very low | 162 Ų | 162 | 133 Ų | 133 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -78.3 | -26.3 | 174.9 | -85 | -151.2 | 147.4 | 0 | 0 | 113.8 | V380 F381 | E378-V380 VanDerWaalsContact C-N 3.27Å; E378-V380 PolarHBondContact O-N 2.73Å; E378-F381 PolarHBondContact O-N 2.99Å |
| 379 | S | 48.7 | Very low | 45.2 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 56% | 0.559 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -12.7 | -178.9 | 55.9 | 0 | 0 | 0 | 0 | 114.3 | A376 | A376-S379 PolarHBondContact O-OG 2.89Š|
| 380 | V | 47.6 | Very low | 44.6 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -15.9 | 178 | 177.8 | 0 | 0 | 0 | 0 | 112.5 | E378 | E378-V380 VanDerWaalsContact C-N 3.27Å; E378-V380 PolarHBondContact O-N 2.73Å |
| 381 | F | 43 | Very low | 44.6 | Very low | 183 Ų | 183 | 132.2 Ų | 132.2 | 80% | 0.803 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -101.4 | 1.6 | -174.1 | -99.3 | -85.8 | 0 | 0 | 0 | 115.9 | E378 | E378-F381 PolarHBondContact O-N 2.99Š|
| 382 | V | 47.6 | Very low | 43.7 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 76% | 0.758 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -106.1 | -8.8 | 179.6 | 178.6 | 0 | 0 | 0 | 0 | 113.6 | T384 | V382-T384 PolarHBondContact O-N 2.96Š|
| 383 | E | 44.1 | Very low | 42.9 | Very low | 174 Ų | 174 | 129.7 Ų | 129.7 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | trans | -100 | 48.1 | -172.8 | -157.8 | 159.3 | -163.3 | 0 | 0 | 114.7 | ||||
| 384 | T | 41.3 | Very low | 42.4 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -143.5 | 55.7 | 158.8 | 64.6 | 0 | 0 | 0 | 0 | 111.9 | V382 | V382-T384 PolarHBondContact O-N 2.96Š|
| 385 | N | 43.3 | Very low | 41.5 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | -152.5 | 83.5 | 154.4 | -139.5 | 0.2 | 0 | 0 | 0 | 111.1 | ||||
| 386 | K | 35.3 | Very low | 40.7 | Very low | 203 Ų | 203 | 131.7 Ų | 131.7 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -141.5 | 102.8 | 165.3 | -153.1 | 173 | -174.6 | 179.1 | 0 | 109.9 | ||||
| 387 | V | 43.3 | Very low | 40.1 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 70% | 0.697 | 76% | 0.761 | S | S | * | * | trans | -57.2 | 132.8 | 167.8 | 176.2 | 0 | 0 | 0 | 0 | 109 | V389 | V387-V389 PolarHBondContact O-N 3.28Š| ||
| 388 | P | 38 | Very low | 39.6 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | -86 | 112.3 | 170.2 | 16.6 | -1.9 | 0 | 0 | 0 | 109.6 | ||||
| 389 | V | 37.2 | Very low | 39.2 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | trans | -89.4 | 127.6 | 156.9 | 173 | 0 | 0 | 0 | 0 | 106.8 | V387 | V387-V389 PolarHBondContact O-N 3.28Š| ||
| 390 | A | 36.2 | Very low | 38.8 | Very low | 89 Ų | 89 | 133.8 Ų | 133.8 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -119.7 | 149.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 391 | P | 46.1 | Very low | 38.6 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | trans | -108.5 | 177.1 | -162.7 | 39.9 | -29.5 | 0 | 0 | 0 | 114.6 | ||||
| 392 | D | 31.4 | Very low | 38.5 | Very low | 153 Ų | 153 | 133.4 Ų | 133.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | 77.5 | 141.9 | 163.1 | -80.1 | -12 | 0 | 0 | 0 | 118.4 | ||||
| 393 | S | 36.3 | Very low | 38.1 | Very low | 84 Ų | 84 | 139.5 Ų | 139.5 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | cis | -173.4 | 153.7 | -5.8 | 50.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 394 | T | 35.1 | Very low | 37.8 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | 66.5 | 120.3 | 146.3 | 50.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 395 | G | 30.6 | Very low | 37.7 | Very low | 70 Ų | 70 | 137.8 Ų | 137.8 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | 147.7 | 104.5 | 124.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 396 | K | 34.8 | Very low | 37.3 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | 52.9 | 142.2 | 134.9 | -76.8 | -176.2 | 164 | -175.7 | 0 | 119 | ||||
| 397 | D | 33.8 | Very low | 37.5 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | cis | -171.6 | 165.5 | 16.6 | -98.1 | -33.4 | 0 | 0 | 0 | 106.6 | ||||
| 398 | G | 33 | Very low | 37.1 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 98.7 | 106.2 | 152.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 399 | E | 37.4 | Very low | 37 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | 97.6 | 115.9 | 64.7 | -170.7 | 175.3 | 169.5 | 0 | 0 | 112.7 | |||||
| 400 | K | 40 | Very low | 37 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | trans | 69.3 | 125.6 | 147.9 | -76.4 | 175.7 | -172.1 | 155.6 | 0 | 123.8 | ||||
| 401 | Q | 42.2 | Very low | 37.1 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | 71.3 | 117.9 | 121.9 | -70.7 | 177.9 | -29.8 | 0 | 0 | 121.4 | |||||
| 402 | D | 40.6 | Very low | 36.3 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | 63.4 | 134.4 | 125.3 | -55.8 | -28.2 | 0 | 0 | 0 | 121.3 | |||||
| 403 | L | 41 | Very low | 36.8 | Very low | 253 Ų | 253 | 139.4 Ų | 139.4 | 100% | 1.325 | 78% | 0.779 | S | S | * | * | trans | 84.4 | 0 | 165.3 | -71.7 | 154.1 | 0 | 0 | 0 | 118.3 |
Retrieved 403 of 403 residues in 786.3 ms
(Link to these results)