| 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 | 50.3 | Low | 58.9 | Low | 207 Ų | 207 | 124.8 Ų | 124.8 | 100% | 1.02 | 67% | 0.672 | S | S | * | * | 0 | -7.8 | 0 | -165.5 | 168.7 | -83.9 | 0 | 0 | 111.4 | D3 | M1-D3 PolarHBondContact O-N 3.22Š| |||
| 2 | E | 58.5 | Low | 58.4 | Low | 156 Ų | 156 | 126.8 Ų | 126.8 | 73% | 0.729 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -13.8 | -167.8 | -62.6 | 94.2 | 135.2 | 0 | 0 | 115.9 | L4 | E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.28Å |
| 3 | D | 63 | Low | 57.8 | Low | 143 Ų | 143 | 124.8 Ų | 124.8 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -12.7 | -174.4 | -56.6 | -73.2 | 0 | 0 | 0 | 114.9 | M1 | M1-D3 PolarHBondContact O-N 3.22Š|
| 4 | L | 62.9 | Low | 56.7 | Low | 130 Ų | 130 | 124.4 Ų | 124.4 | 68% | 0.681 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -31.7 | -178.3 | -156.7 | 73.7 | 0 | 0 | 0 | 113.2 | E2 A6 L7 | E2-L4 VanDerWaalsContact C-N 3.27Å; E2-L4 PolarHBondContact O-N 3.28Å; L4-A6 VanDerWaalsContact C-N 3.3Å; L4-A6 PolarHBondContact O-N 3.46Å; L4-L7 PolarHBondContact O-N 2.86Å |
| 5 | D | 63.4 | Low | 55.6 | Low | 116 Ų | 116 | 124.1 Ų | 124.1 | 62% | 0.62 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -69.4 | -29.5 | -179.8 | -76.2 | -46.3 | 0 | 0 | 0 | 112.3 | L7 L8 S9 | D5-L7 VanDerWaalsContact C-N 3.28Å; D5-L7 PolarHBondContact O-N 3.13Å; D5-L8 PolarHBondContact O-N 3.37Å; D5-S9 PolarHBondContact O-N 3.45Å |
| 6 | A | 63.9 | Low | 54.4 | Low | 61 Ų | 61 | 122.6 Ų | 122.6 | 50% | 0.504 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -60.5 | -35.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L4 | L4-A6 VanDerWaalsContact C-N 3.3Å; L4-A6 PolarHBondContact O-N 3.46Å |
| 7 | L | 57.5 | Low | 53.6 | Low | 127 Ų | 127 | 125.4 Ų | 125.4 | 67% | 0.665 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -82.6 | -15 | -179.3 | -67.1 | 177.5 | 0 | 0 | 0 | 113.8 | L4 D5 | L4-L7 PolarHBondContact O-N 2.86Å; D5-L7 VanDerWaalsContact C-N 3.28Å; D5-L7 PolarHBondContact O-N 3.13Å |
| 8 | L | 58.9 | Low | 52.5 | Low | 103 Ų | 103 | 127.8 Ų | 127.8 | 54% | 0.539 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -85.7 | -34.9 | 174.7 | -77.3 | 164.8 | 0 | 0 | 0 | 112 | D5 D10 L11 E12 | D5-L8 PolarHBondContact O-N 3.37Å; L8-D10 VanDerWaalsContact C-N 3.34Å; L8-D10 PolarHBondContact O-N 3.36Å; L8-L11 PolarHBondContact O-N 3.24Å; L8-E12 PolarHBondContact O-N 2.9Å |
| 9 | S | 61.8 | Low | 51.8 | Low | 76 Ų | 76 | 126.7 Ų | 126.7 | 53% | 0.531 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -61.3 | -38.4 | 175.4 | -79.8 | 0 | 0 | 0 | 0 | 113.3 | D5 L11 E12 T13 | D5-S9 PolarHBondContact O-N 3.45Å; S9-L11 PolarHBondContact O-N 2.88Å; S9-E12 PolarHBondContact O-N 2.85Å; S9-T13 PolarHBondContact O-N 3.33Å; S9-T13 PolarHBondContact O-OG1 3.08Å |
| 10 | D | 55.7 | Low | 51.2 | Low | 119 Ų | 119 | 132.1 Ų | 132.1 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -67.8 | -21.2 | 179.5 | -81.9 | -12.5 | 0 | 0 | 0 | 113.4 | L8 T13 | L8-D10 VanDerWaalsContact C-N 3.34Å; L8-D10 PolarHBondContact O-N 3.36Å; D10-T13 WeakPolarHBondContact CA-OG1 3.36Å; D10-T13 PolarHBondContact O-OG1 3.36Å; D10-T13 VanDerWaalsContact O-OG1 3.13Å |
| 11 | L | 51.7 | Low | 50.7 | Low | 135 Ų | 135 | 134.6 Ų | 134.6 | 71% | 0.707 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -85.5 | -27.9 | 177 | -129.1 | 74.7 | 0 | 0 | 0 | 113.3 | L8 S9 T14 | L8-L11 PolarHBondContact O-N 3.24Å; S9-L11 PolarHBondContact O-N 2.88Å; L11-T14 PolarHBondContact O-OG1 2.83Å |
| 12 | E | 53.8 | Low | 50 | Low | 148 Ų | 148 | 128.2 Ų | 128.2 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -79.7 | -20.9 | 178.2 | -67 | -171.3 | 130.6 | 0 | 0 | 112.9 | L8 S9 T14 T15 | L8-E12 PolarHBondContact O-N 2.9Å; S9-E12 PolarHBondContact O-N 2.85Å; E12-T14 PolarHBondContact O-N 3.27Å; E12-T15 PolarHBondContact O-OG1 3.45Å |
| 13 | T | 49.6 | Very low | 49.1 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -0.9 | 179.3 | 14.9 | 0 | 0 | 0 | 0 | 116.3 | S9 D10 | S9-T13 PolarHBondContact O-N 3.33Å; S9-T13 PolarHBondContact O-OG1 3.08Å; D10-T13 WeakPolarHBondContact CA-OG1 3.36Å; D10-T13 PolarHBondContact O-OG1 3.36Å; D10-T13 VanDerWaalsContact O-OG1 3.13Å |
| 14 | T | 43.3 | Very low | 48.3 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 15.4 | 179.9 | 63.5 | 0 | 0 | 0 | 0 | 115.1 | L11 E12 | L11-T14 PolarHBondContact O-OG1 2.83Å; E12-T14 PolarHBondContact O-N 3.27Å |
| 15 | T | 39.4 | Very low | 47.3 | Very low | 121 Ų | 121 | 128 Ų | 128 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -133.4 | 39.6 | -177.2 | 60.4 | 0 | 0 | 0 | 0 | 116.3 | E12 | E12-T15 PolarHBondContact O-OG1 3.45Š|
| 16 | S | 36.9 | Very low | 45.9 | Very low | 100 Ų | 100 | 131.5 Ų | 131.5 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | -153.4 | 81.2 | 170.9 | 56 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 17 | H | 40.7 | Very low | 44.8 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | trans | -166.7 | 109.8 | 146.9 | -125.9 | -96.6 | 0 | 0 | 0 | 112 | ||||
| 18 | M | 33.9 | Very low | 44.2 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | trans | -172.9 | 90.4 | 139.9 | -93.3 | -40.3 | 97 | 0 | 0 | 109.3 | ||||
| 19 | S | 39.6 | Very low | 43.4 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -79.3 | 133 | 172.2 | -72.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 20 | R | 40 | Very low | 42.3 | Very low | 235 Ų | 235 | 142.8 Ų | 142.8 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | 41.9 | 111.8 | 147.8 | -59.8 | -178.4 | 175.1 | -153.9 | -2.9 | 118.3 | ||||
| 21 | L | 40 | Very low | 41.2 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 96% | 0.963 | 78% | 0.781 | S | S | * | * | trans | -170.3 | 141.1 | 139.3 | -105.5 | 165.5 | 0 | 0 | 0 | 111.3 | ||||
| 22 | G | 35.2 | Very low | 40.6 | Very low | 74 Ų | 74 | 145 Ų | 145 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | 86.7 | 108.6 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 23 | A | 40.5 | Very low | 39.8 | Very low | 98 Ų | 98 | 143.7 Ų | 143.7 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 141.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 24 | P | 46.5 | Very low | 39.4 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -75 | 127 | 164.6 | 31.5 | -31 | 0 | 0 | 0 | 109.2 | E26 | P24-E26 PolarHBondContact O-N 2.77Š|
| 25 | K | 40.9 | Very low | 39.4 | Very low | 202 Ų | 202 | 144 Ų | 144 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 116.8 | 175.4 | -171 | 175.6 | -175.5 | 177.3 | 0 | 108.7 | R27 | K25-R27 PolarHBondContact O-N 3.04Š|
| 26 | E | 34.2 | Very low | 39.3 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 125.6 | 175.3 | -69.2 | -174.3 | 108.7 | 0 | 0 | 110.4 | P24 | P24-E26 PolarHBondContact O-N 2.77Š|
| 27 | R | 40.6 | Very low | 39.4 | Very low | 217 Ų | 217 | 144.4 Ų | 144.4 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | trans | -105.9 | 123.7 | 168.4 | -153.1 | 175.5 | -167.8 | -148.2 | -0.4 | 106.1 | K25 | K25-R27 PolarHBondContact O-N 3.04Š| ||
| 28 | P | 44 | Very low | 39.2 | Very low | 104 Ų | 104 | 147 Ų | 147 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 152.4 | -173.6 | 27.3 | -35.4 | 0 | 0 | 0 | 110.6 | E30 | P28-E30 PolarHBondContact O-N 3.09Å; P28-E30 VanDerWaalsContact O-N 3.15Å |
| 29 | P | 43.7 | Very low | 39.1 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 118 | 177.4 | 27.2 | -33.4 | 0 | 0 | 0 | 109.3 | T31 | P29-T31 PolarHBondContact O-N 3.48Š|
| 30 | E | 38.6 | Very low | 39 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 117.9 | 166.9 | -74.2 | -173.6 | 99.3 | 0 | 0 | 108.2 | P28 L32 | P28-E30 PolarHBondContact O-N 3.09Å; P28-E30 VanDerWaalsContact O-N 3.15Å; E30-L32 PolarHBondContact O-N 2.75Å |
| 31 | T | 32.4 | Very low | 38.4 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -68.5 | 77.6 | -174.4 | -42.1 | 0 | 0 | 0 | 0 | 111.1 | P29 T33 | P29-T31 PolarHBondContact O-N 3.48Å; T31-T33 PolarHBondContact O-N 2.91Å | ||
| 32 | L | 38.2 | Very low | 38 | Very low | 165 Ų | 165 | 139.9 Ų | 139.9 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | trans | -68.7 | 101.9 | 169.2 | -78.9 | 166.8 | 0 | 0 | 0 | 108.7 | E30 | E30-L32 PolarHBondContact O-N 2.75Š| ||
| 33 | T | 37.7 | Very low | 38 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 133.8 | 174.6 | 14.1 | 0 | 0 | 0 | 0 | 110.6 | T31 | T31-T33 PolarHBondContact O-N 2.91Š|
| 34 | P | 41.3 | Very low | 37.4 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 142.6 | 175.2 | 27.8 | -34 | 0 | 0 | 0 | 110 | ||
| 35 | P | 42.3 | Very low | 36.7 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62 | 147.8 | 169.6 | 28 | -33.8 | 0 | 0 | 0 | 109.8 | ||
| 36 | P | 38.4 | Very low | 36.2 | Very low | 105 Ų | 105 | 142 Ų | 142 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 149.7 | -177.9 | 27.9 | -35.1 | 0 | 0 | 0 | 111.2 | Y38 | P36-Y38 PolarHBondContact O-N 3.47Š|
| 37 | P | 38.1 | Very low | 36.1 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65 | 124.7 | 175.1 | 28 | -33.4 | 0 | 0 | 0 | 109.5 | G39 | P37-G39 PolarHBondContact O-N 3.41Š|
| 38 | Y | 37.7 | Very low | 35.5 | Very low | 225 Ų | 225 | 135.5 Ų | 135.5 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -65.9 | 102.5 | 172.1 | -101.2 | -91.9 | 0 | 0 | 0 | 109.5 | P36 H40 | P36-Y38 PolarHBondContact O-N 3.47Å; Y38-H40 PolarHBondContact O-N 2.97Å | ||
| 39 | G | 30.9 | Very low | 35.1 | Very low | 72 Ų | 72 | 135.8 Ų | 135.8 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69 | 118 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | P37 Q41 | P37-G39 PolarHBondContact O-N 3.41Å; G39-Q41 PolarHBondContact O-N 2.92Å |
| 40 | H | 37.3 | Very low | 34.5 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 116.9 | 166.9 | -81.9 | -76.3 | 0 | 0 | 0 | 109.9 | Y38 P42 | Y38-H40 PolarHBondContact O-N 2.97Å; H40-P42 VanDerWaalsContact O-CD 3.28Å; H40-P42 WeakPolarHBondContact O-CD 3.35Å |
| 41 | Q | 27.3 | Very low | 33.9 | Very low | 173 Ų | 173 | 132 Ų | 132 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -65 | 117.8 | 176.2 | 178.8 | -171.5 | 6.5 | 0 | 0 | 111.6 | G39 | G39-Q41 PolarHBondContact O-N 2.92Š|
| 42 | P | 32.1 | Very low | 33.7 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 138.5 | 162.1 | 5 | 15.5 | 0 | 0 | 0 | 109.4 | H40 | H40-P42 VanDerWaalsContact O-CD 3.28Å; H40-P42 WeakPolarHBondContact O-CD 3.35Å |
| 43 | Q | 34.6 | Very low | 33.3 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 151.6 | 174.5 | -68.9 | -176.9 | 5.7 | 0 | 0 | 111.7 | ||
| 44 | T | 28.4 | Very low | 32.9 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 140 | -174.2 | 49.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 45 | G | 31.6 | Very low | 32.3 | Very low | 80 Ų | 80 | 127.4 Ų | 127.4 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | trans | -162.2 | 94.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 46 | S | 30.8 | Very low | 31.9 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -80.5 | 140.7 | -178 | 50.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 47 | G | 32.8 | Very low | 31.8 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -179.3 | 105.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 48 | E | 27.7 | Very low | 32.3 | Very low | 193 Ų | 193 | 130.4 Ų | 130.4 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -85.5 | 167.2 | -176.2 | -69.2 | 170.2 | 83.1 | 0 | 0 | 113.8 | ||||
| 49 | S | 35.4 | Very low | 32.9 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | 105.4 | 95.4 | 153.9 | 74.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 50 | S | 30.1 | Very low | 33.6 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 88% | 0.881 | 78% | 0.783 | S | S | * | * | 44.9 | 108.1 | 118.6 | -52.3 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 51 | G | 26.5 | Very low | 34.6 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | 120.2 | 139 | 121.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 52 | A | 28.8 | Very low | 36 | Very low | 101 Ų | 101 | 118.8 Ų | 118.8 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | 75.4 | 101 | 158.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 53 | S | 29 | Very low | 37.1 | Very low | 132 Ų | 132 | 115.1 Ų | 115.1 | 92% | 0.923 | 72% | 0.72 | S | S | * | * | 65 | 119.3 | 122.3 | -146.1 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 54 | G | 29.2 | Very low | 38.2 | Very low | 71 Ų | 71 | 110.3 Ų | 110.3 | 73% | 0.732 | 71% | 0.706 | S | S | * | * | trans | 120 | 106.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 55 | D | 30.2 | Very low | 39.5 | Very low | 132 Ų | 132 | 112.1 Ų | 112.1 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | 102.6 | 110.6 | 75.1 | -149.9 | -95.6 | 0 | 0 | 0 | 110.3 | |||||
| 56 | K | 32.5 | Very low | 40.7 | Very low | 164 Ų | 164 | 112.1 Ų | 112.1 | 71% | 0.713 | 69% | 0.687 | S | S | * | * | trans | 70 | 78.3 | 170.3 | -57.2 | 170.9 | -171.8 | 97.6 | 0 | 119.7 | ||||
| 57 | D | 36.4 | Very low | 41.6 | Very low | 144 Ų | 144 | 114 Ų | 114 | 77% | 0.77 | 67% | 0.674 | S | S | * | * | trans | -114.6 | 99.1 | 144.9 | -80.1 | -59.7 | 0 | 0 | 0 | 110.1 | ||||
| 58 | H | 48.9 | Very low | 42.4 | Very low | 100 Ų | 100 | 114.2 Ų | 114.2 | 46% | 0.463 | 66% | 0.663 | S | S | . | * | trans | -96.6 | 94.5 | 164.5 | -80.2 | -98.5 | 0 | 0 | 0 | 107.4 | Y60 | H58-Y60 PolarHBondContact O-N 3.36Š| ||
| 59 | L | 49.7 | Very low | 43.4 | Very low | 122 Ų | 122 | 108.3 Ų | 108.3 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | trans | -68.3 | 80.7 | 179.9 | -69.7 | 172.3 | 0 | 0 | 0 | 111.3 | S61 | L59-S61 PolarHBondContact O-N 2.84Š| ||
| 60 | Y | 46.8 | Very low | 43.7 | Very low | 152 Ų | 152 | 112.9 Ų | 112.9 | 60% | 0.596 | 65% | 0.648 | S | S | * | * | trans | -69.9 | 110.3 | 170 | -178 | -98.5 | 0 | 0 | 0 | 109.2 | H58 T62 F385 | H58-Y60 PolarHBondContact O-N 3.36Å; Y60-T62 HydrophobicContact CD1-CG2 4.4Å; Y60-T62 HydrophobicContact CE1-CG2 3.73Å; Y60-F385 HydrophobicContact CD2-CZ 4.47Å | ||
| 61 | S | 57.6 | Low | 44.1 | Very low | 40 Ų | 40 | 112.2 Ų | 112.2 | 28% | 0.28 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.5 | -179.3 | -66 | 0 | 0 | 0 | 0 | 110.8 | L59 F384 | L59-S61 PolarHBondContact O-N 2.84Å; S61-F384 WeakPolarHBondContact O-CD1 3.36Å; S61-F384 WeakPolarHBondContact O-CE1 3.45Å; S61-F384 PolarHBondContact O-N 3.17Å |
| 62 | T | 57.6 | Low | 44.9 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 59% | 0.589 | 65% | 0.645 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 139.2 | 172.7 | 48.8 | 0 | 0 | 0 | 0 | 110.5 | Y60 C64 | Y60-T62 HydrophobicContact CD1-CG2 4.4Å; Y60-T62 HydrophobicContact CE1-CG2 3.73Å; T62-C64 PolarHBondContact O-N 3.49Å |
| 63 | V | 55.2 | Low | 45.4 | Very low | 38 Ų | 38 | 114 Ų | 114 | 23% | 0.23 | 64% | 0.636 | C | S | . | * | P | Polyproline II helix | trans | -72.3 | 123.4 | 177.4 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | K65 I358 F370 G382 F384 | V63-K65 PolarHBondContact O-N 2.98Å; V63-I358 HydrophobicContact CG1-CD1 4.3Å; V63-I358 HydrophobicContact CG1-CG1 4.22Å; V63-I358 HydrophobicContact CG1-CG2 3.79Å; V63-F370 HydrophobicContact CG2-CD1 4Å; V63-F370 HydrophobicContact CG2-CE1 3.46Å; V63-F370 VanDerWaalsContact CG2-CE1 3.46Å; V63-F370 HydrophobicContact CG2-CZ 4.33Å; V63-G382 PolarHBondContact N-O 3.24Å; V63-G382 VanDerWaalsContact N-O 3.11Å; V63-F384 HydrophobicContact CG2-CD1 3.66Å; V63-F384 HydrophobicContact CG2-CE1 3.54Å |
| 64 | C | 56.2 | Low | 45.9 | Very low | 84 Ų | 84 | 113.8 Ų | 113.8 | 57% | 0.568 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 130.8 | 163.6 | -74.7 | 0 | 0 | 0 | 0 | 109.9 | T62 | T62-C64 PolarHBondContact O-N 3.49Š|
| 65 | K | 57.1 | Low | 46.6 | Very low | 185 Ų | 185 | 117.1 Ų | 117.1 | 80% | 0.804 | 64% | 0.637 | S | S | * | * | trans | -43.1 | 139.3 | 178.3 | -70.3 | 179.5 | 178.8 | 176.9 | 0 | 111.4 | V63 R67 | V63-K65 PolarHBondContact O-N 2.98Å; K65-R67 PolarHBondContact O-N 3.44Å | ||
| 66 | P | 55.7 | Low | 47 | Very low | 79 Ų | 79 | 114.9 Ų | 114.9 | 51% | 0.513 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -55.4 | 131.9 | -177.3 | 23 | -33.4 | 0 | 0 | 0 | 110.2 | N356 Y357 | P66-N356 HydrophobicContact CB-CB 4.49Å; P66-Y357 WeakPolarHBondContact CA-O 3.48Å |
| 67 | R | 49.7 | Very low | 47.9 | Very low | 168 Ų | 168 | 112.5 Ų | 112.5 | 63% | 0.634 | 64% | 0.639 | S | S | * | * | B | Isolated β-bridge | trans | -102.1 | 137.8 | 177.1 | -68.8 | -174.9 | 175.9 | -165.9 | -1.9 | 108.7 | K65 N356 Y357 | K65-R67 PolarHBondContact O-N 3.44Å; R67-N356 WeakPolarHBondContact O-CA 3.33Å; R67-Y357 HydrophobicContact CB-CE1 4.11Å; R67-Y357 HydrophobicContact CB-CE2 4.31Å; R67-Y357 PolarHBondContact N-O 2.89Å; R67-Y357 WeakPolarHBondContact O-CD1 3.25Å; R67-Y357 WeakPolarHBondContact O-CE1 3.43Å; R67-Y357 PolarHBondContact O-N 3.03Å; R67-Y357 VanDerWaalsContact O-N 3.12Å |
| 68 | S | 50.7 | Low | 48.5 | Very low | 84 Ų | 84 | 110.8 Ų | 110.8 | 59% | 0.587 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 143.5 | 163.9 | -44.6 | 0 | 0 | 0 | 0 | 108.8 | K70 N356 | S68-K70 PolarHBondContact O-N 3.32Å; S68-N356 PolarHBondContact OG-OD1 3.3Å |
| 69 | P | 49 | Very low | 47.9 | Very low | 70 Ų | 70 | 114.8 Ų | 114.8 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 132.4 | 174.6 | 24.2 | -32.3 | 0 | 0 | 0 | 110.1 | S71 | P69-S71 PolarHBondContact O-N 3.11Š|
| 70 | K | 41.9 | Very low | 47.5 | Very low | 205 Ų | 205 | 114.7 Ų | 114.7 | 89% | 0.891 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 119 | 173.9 | -117.5 | 178.9 | 179.7 | -179.8 | 0 | 108.3 | S68 V72 | S68-K70 PolarHBondContact O-N 3.32Å; K70-V72 PolarHBondContact O-N 3.18Å |
| 71 | S | 37.8 | Very low | 47.1 | Very low | 112 Ų | 112 | 113.1 Ų | 113.1 | 78% | 0.783 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 123.4 | 171.2 | 46.4 | 0 | 0 | 0 | 0 | 109.5 | P69 A73 | P69-S71 PolarHBondContact O-N 3.11Å; S71-A73 PolarHBondContact O-N 2.87Å |
| 72 | V | 43.8 | Very low | 46.4 | Very low | 139 Ų | 139 | 116.1 Ų | 116.1 | 84% | 0.842 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 125.5 | 163.7 | 177.4 | 0 | 0 | 0 | 0 | 106.2 | K70 | K70-V72 PolarHBondContact O-N 3.18Š|
| 73 | A | 38 | Very low | 45.7 | Very low | 77 Ų | 77 | 117.5 Ų | 117.5 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 137.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | S71 V75 | S71-A73 PolarHBondContact O-N 2.87Å; A73-V75 PolarHBondContact O-N 3.04Å |
| 74 | P | 39.9 | Very low | 44.9 | Very low | 127 Ų | 127 | 119.4 Ų | 119.4 | 83% | 0.825 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 123.5 | 178.8 | 27.4 | -33.1 | 0 | 0 | 0 | 109.6 | A76 | P74-A76 PolarHBondContact O-N 3.26Š|
| 75 | V | 43.1 | Very low | 44.3 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 118.3 | 164.6 | 177.7 | 0 | 0 | 0 | 0 | 106.8 | A73 | A73-V75 PolarHBondContact O-N 3.04Š|
| 76 | A | 40.2 | Very low | 43.8 | Very low | 85 Ų | 85 | 121.4 Ų | 121.4 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 133.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P74 | P74-A76 PolarHBondContact O-N 3.26Š|
| 77 | P | 51.1 | Low | 43.3 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 146.2 | 174.5 | 30.1 | -34.3 | 0 | 0 | 0 | 110.4 | F79 | P77-F79 PolarHBondContact O-N 3.48Š|
| 78 | P | 49.3 | Very low | 43.6 | Very low | 107 Ų | 107 | 118.6 Ų | 118.6 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -69 | 124.2 | 171.2 | 29 | -32.4 | 0 | 0 | 0 | 110.1 | ||
| 79 | F | 36.3 | Very low | 43.8 | Very low | 185 Ų | 185 | 117.4 Ų | 117.4 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | -23 | 124.6 | 163 | 41.5 | -88.7 | 0 | 0 | 0 | 115.8 | P77 | P77-F79 PolarHBondContact O-N 3.48Š| ||
| 80 | S | 40.9 | Very low | 44.2 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -161.5 | 114.1 | 144.8 | -83.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 81 | S | 39.4 | Very low | 45.5 | Very low | 119 Ų | 119 | 115.1 Ų | 115.1 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | -29.1 | 143.5 | 167.5 | -40.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 82 | S | 41.9 | Very low | 47.3 | Very low | 104 Ų | 104 | 116 Ų | 116 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | 177.9 | 157.3 | 49.9 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 83 | S | 42.3 | Very low | 49 | Very low | 125 Ų | 125 | 114.3 Ų | 114.3 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | trans | 71.5 | 104.3 | 154.3 | -56.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 84 | G | 38.6 | Very low | 50.8 | Low | 77 Ų | 77 | 115.6 Ų | 115.6 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | -179.3 | 83 | 169 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 85 | V | 44 | Very low | 52.8 | Low | 141 Ų | 141 | 116.1 Ų | 116.1 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | trans | -74.6 | 150.5 | 178.6 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 86 | L | 46.8 | Very low | 54.6 | Low | 171 Ų | 171 | 113.6 Ų | 113.6 | 90% | 0.895 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 92.9 | 92.2 | -176.7 | -52.3 | 177.8 | 0 | 0 | 0 | 114.5 | ||
| 87 | G | 45.3 | Very low | 56.6 | Low | 45 Ų | 45 | 113.9 Ų | 113.9 | 46% | 0.464 | 69% | 0.685 | S | S | . | * | trans | -178.1 | -33.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | G89 L90 | G87-G89 PolarHBondContact O-N 2.78Å; G87-L90 PolarHBondContact O-N 3.13Å | ||
| 88 | N | 54.9 | Low | 57.8 | Low | 143 Ų | 143 | 114.7 Ų | 114.7 | 77% | 0.765 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -56.4 | -21.2 | -167.2 | -74.4 | 62.1 | 0 | 0 | 0 | 117.6 | ||
| 89 | G | 55.6 | Low | 59.2 | Low | 58 Ų | 58 | 113.7 Ų | 113.7 | 60% | 0.598 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.5 | -24 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G87 | G87-G89 PolarHBondContact O-N 2.78Å |
| 90 | L | 58.3 | Low | 61 | Low | 131 Ų | 131 | 110.5 Ų | 110.5 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -82.7 | -35.4 | -178.1 | -66.2 | 176.4 | 0 | 0 | 0 | 112.1 | G87 E92 L93 D94 | G87-L90 PolarHBondContact O-N 3.13Å; L90-E92 PolarHBondContact O-N 2.89Å; L90-L93 PolarHBondContact O-N 2.87Å; L90-D94 PolarHBondContact O-N 3.27Å |
| 91 | C | 67.6 | Low | 62.4 | Low | 96 Ų | 96 | 108.8 Ų | 108.8 | 65% | 0.649 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.1 | -32.9 | 178.8 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | R95 | C91-R95 WeakPolarHBondContact O-CB 3.35Å; C91-R95 PolarHBondContact O-N 2.94Å; C91-R95 VanDerWaalsContact O-N 3.08Å |
| 92 | E | 76.3 | Confident | 63.9 | Low | 132 Ų | 132 | 105.9 Ų | 105.9 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.8 | -38 | 172.9 | -72.3 | -168.6 | 128.7 | 0 | 0 | 112.1 | L90 R95 L96 | L90-E92 PolarHBondContact O-N 2.89Å; E92-R95 PolarHBondContact O-N 3.01Å; E92-L96 WeakPolarHBondContact O-CB 3.47Å; E92-L96 VanDerWaalsContact O-CG 3.28Å; E92-L96 WeakPolarHBondContact O-CG 3.48Å; E92-L96 PolarHBondContact O-N 2.99Å |
| 93 | L | 78.5 | Confident | 65.1 | Low | 102 Ų | 102 | 104.6 Ų | 104.6 | 53% | 0.534 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -65.8 | -43.5 | 176.9 | -168.2 | 71.2 | 0 | 0 | 0 | 111.5 | L90 L96 L97 | L90-L93 PolarHBondContact O-N 2.87Å; L93-L96 PolarHBondContact O-N 3.05Å; L93-L97 HydrophobicContact CD1-CD1 4.33Å; L93-L97 HydrophobicContact CG-CD1 4Å; L93-L97 VanDerWaalsContact O-CD1 3.27Å; L93-L97 WeakPolarHBondContact O-CD1 3.48Å; L93-L97 PolarHBondContact O-N 2.84Å |
| 94 | D | 76.9 | Confident | 65.7 | Low | 105 Ų | 105 | 104.6 Ų | 104.6 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.2 | -42.4 | 177.3 | -159.4 | 51.4 | 0 | 0 | 0 | 111.3 | L90 L96 L97 Q98 | L90-D94 PolarHBondContact O-N 3.27Å; D94-L96 VanDerWaalsContact C-N 3.33Å; D94-L96 PolarHBondContact O-N 2.79Å; D94-L97 PolarHBondContact O-N 3.16Å; D94-Q98 WeakPolarHBondContact O-CB 3.38Å; D94-Q98 PolarHBondContact O-N 2.86Å |
| 95 | R | 81.9 | Confident | 66.4 | Low | 138 Ų | 138 | 107.5 Ų | 107.5 | 52% | 0.521 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.7 | -41.1 | 173.3 | -158.6 | -175.9 | 83.3 | 70 | 20.8 | 112.2 | C91 E92 Q98 E99 | C91-R95 WeakPolarHBondContact O-CB 3.35Å; C91-R95 PolarHBondContact O-N 2.94Å; C91-R95 VanDerWaalsContact O-N 3.08Å; E92-R95 PolarHBondContact O-N 3.01Å; R95-Q98 WeakPolarHBondContact O-CB 3.16Å; R95-Q98 PolarHBondContact O-N 3.38Å; R95-E99 IonicContact CZ-OE1 3.6Å; R95-E99 IonicContact CZ-OE2 3.37Å; R95-E99 IonicContact NH1-OE1 2.71Å; R95-E99 PolarHBondContact NH1-OE1 2.82Å; R95-E99 IonicContact NH1-OE2 2.66Å; R95-E99 IonicContact NH2-OE1 3.55Å; R95-E99 PolarHBondContact NH2-OE1 3.49Å; R95-E99 IonicContact NH2-OE2 3.37Å; R95-E99 PolarHBondContact NH2-OE2 3.05Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.49Å |
| 96 | L | 81 | Confident | 66.9 | Low | 88 Ų | 88 | 106.4 Ų | 106.4 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -70.6 | -37 | 176.9 | -74.1 | 168.4 | 0 | 0 | 0 | 112.7 | E92 L93 D94 Q98 E99 L100 | E92-L96 WeakPolarHBondContact O-CB 3.47Å; E92-L96 VanDerWaalsContact O-CG 3.28Å; E92-L96 WeakPolarHBondContact O-CG 3.48Å; E92-L96 PolarHBondContact O-N 2.99Å; L93-L96 PolarHBondContact O-N 3.05Å; D94-L96 VanDerWaalsContact C-N 3.33Å; D94-L96 PolarHBondContact O-N 2.79Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-E99 PolarHBondContact O-N 3.16Å; L96-L100 WeakPolarHBondContact O-CB 3.15Å; L96-L100 PolarHBondContact O-N 2.9Å |
| 97 | L | 80.9 | Confident | 67.4 | Low | 90 Ų | 90 | 103 Ų | 103 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -38.8 | 170.8 | -97.8 | 86.7 | 0 | 0 | 0 | 111.5 | L93 D94 L100 N101 | L93-L97 HydrophobicContact CD1-CD1 4.33Å; L93-L97 HydrophobicContact CG-CD1 4Å; L93-L97 VanDerWaalsContact O-CD1 3.27Å; L93-L97 WeakPolarHBondContact O-CD1 3.48Å; L93-L97 PolarHBondContact O-N 2.84Å; D94-L97 PolarHBondContact O-N 3.16Å; L97-L100 PolarHBondContact O-N 3.09Å; L97-N101 WeakPolarHBondContact O-CB 3.49Å; L97-N101 PolarHBondContact O-N 3.45Å; L97-N101 PolarHBondContact O-ND2 3.33Å |
| 98 | Q | 77.1 | Confident | 67.9 | Low | 132 Ų | 132 | 104.2 Ų | 104.2 | 62% | 0.617 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.9 | -43.2 | 175.8 | -153 | 94 | 50 | 0 | 0 | 111.4 | D94 R95 L96 A102 | D94-Q98 WeakPolarHBondContact O-CB 3.38Å; D94-Q98 PolarHBondContact O-N 2.86Å; R95-Q98 WeakPolarHBondContact O-CB 3.16Å; R95-Q98 PolarHBondContact O-N 3.38Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; Q98-A102 VanDerWaalsContact O-CB 3.31Å; Q98-A102 WeakPolarHBondContact O-CB 3.09Å; Q98-A102 PolarHBondContact O-N 3.25Å |
| 99 | E | 78.9 | Confident | 67.6 | Low | 86 Ų | 86 | 103.1 Ų | 103.1 | 40% | 0.402 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 176.4 | -74.3 | 177.9 | 159.4 | 0 | 0 | 112.7 | R95 L96 T103 | R95-E99 IonicContact CZ-OE1 3.6Å; R95-E99 IonicContact CZ-OE2 3.37Å; R95-E99 IonicContact NH1-OE1 2.71Å; R95-E99 PolarHBondContact NH1-OE1 2.82Å; R95-E99 IonicContact NH1-OE2 2.66Å; R95-E99 IonicContact NH2-OE1 3.55Å; R95-E99 PolarHBondContact NH2-OE1 3.49Å; R95-E99 IonicContact NH2-OE2 3.37Å; R95-E99 PolarHBondContact NH2-OE2 3.05Å; R95-E99 WeakPolarHBondContact O-CG 3.33Å; R95-E99 PolarHBondContact O-N 3.49Å; L96-E99 PolarHBondContact O-N 3.16Å; E99-T103 PolarHBondContact O-N 3.2Å; E99-T103 PolarHBondContact O-OG1 3.44Å |
| 100 | L | 74.3 | Confident | 67.7 | Low | 118 Ų | 118 | 106 Ų | 106 | 62% | 0.618 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.8 | -42 | 174.4 | -84.9 | 164.8 | 0 | 0 | 0 | 112.8 | L96 L97 T103 Q104 | L96-L100 WeakPolarHBondContact O-CB 3.15Å; L96-L100 PolarHBondContact O-N 2.9Å; L97-L100 PolarHBondContact O-N 3.09Å; L100-T103 WeakPolarHBondContact CA-OG1 3.47Å; L100-T103 PolarHBondContact O-N 2.84Å; L100-T103 PolarHBondContact O-OG1 3.14Å; L100-T103 VanDerWaalsContact O-OG1 3.05Å; L100-Q104 PolarHBondContact O-N 3.34Å |
| 101 | N | 69.4 | Low | 67.8 | Low | 84 Ų | 84 | 104.4 Ų | 104.4 | 45% | 0.449 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 175.4 | -77.7 | -33.2 | 0 | 0 | 0 | 111.1 | L97 T103 Q104 F105 | L97-N101 WeakPolarHBondContact O-CB 3.49Å; L97-N101 PolarHBondContact O-N 3.45Å; L97-N101 PolarHBondContact O-ND2 3.33Å; N101-T103 VanDerWaalsContact C-N 3.32Å; N101-T103 PolarHBondContact O-N 3.33Å; N101-Q104 PolarHBondContact O-N 3.13Å; N101-F105 VanDerWaalsContact O-CD2 3.28Å; N101-F105 WeakPolarHBondContact O-CD2 3.3Å; N101-F105 PolarHBondContact O-N 3.03Å |
| 102 | A | 70.7 | Confident | 67.2 | Low | 58 Ų | 58 | 107.3 Ų | 107.3 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.2 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q98 N106 | Q98-A102 VanDerWaalsContact O-CB 3.31Å; Q98-A102 WeakPolarHBondContact O-CB 3.09Å; Q98-A102 PolarHBondContact O-N 3.25Å; A102-N106 PolarHBondContact O-N 3.42Å |
| 103 | T | 68.2 | Low | 66.1 | Low | 77 Ų | 77 | 105.4 Ų | 105.4 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.2 | -34.4 | 176.2 | 44.5 | 0 | 0 | 0 | 0 | 112.8 | E99 L100 N101 F105 N106 I107 | E99-T103 PolarHBondContact O-N 3.2Å; E99-T103 PolarHBondContact O-OG1 3.44Å; L100-T103 WeakPolarHBondContact CA-OG1 3.47Å; L100-T103 PolarHBondContact O-N 2.84Å; L100-T103 PolarHBondContact O-OG1 3.14Å; L100-T103 VanDerWaalsContact O-OG1 3.05Å; N101-T103 VanDerWaalsContact C-N 3.32Å; N101-T103 PolarHBondContact O-N 3.33Å; T103-F105 PolarHBondContact O-N 3.28Å; T103-N106 PolarHBondContact O-N 3.23Å; T103-I107 WeakPolarHBondContact O-CD1 3.44Å; T103-I107 VanDerWaalsContact O-CG1 3.32Å; T103-I107 WeakPolarHBondContact O-CG1 3.48Å; T103-I107 PolarHBondContact O-N 3.41Å |
| 104 | Q | 55 | Low | 64.9 | Low | 124 Ų | 124 | 106.8 Ų | 106.8 | 58% | 0.579 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 174.7 | -169.8 | -177.5 | 81.4 | 0 | 0 | 112.4 | L100 N101 T108 | L100-Q104 PolarHBondContact O-N 3.34Å; N101-Q104 PolarHBondContact O-N 3.13Å; Q104-T108 PolarHBondContact O-N 3.42Å; Q104-T108 PolarHBondContact O-OG1 3.33Å |
| 105 | F | 53.3 | Low | 63.3 | Low | 139 Ų | 139 | 109.6 Ų | 109.6 | 61% | 0.61 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.4 | -39.6 | 179.2 | -80 | -71.9 | 0 | 0 | 0 | 113.3 | N101 T103 I107 T108 D109 | N101-F105 VanDerWaalsContact O-CD2 3.28Å; N101-F105 WeakPolarHBondContact O-CD2 3.3Å; N101-F105 PolarHBondContact O-N 3.03Å; T103-F105 PolarHBondContact O-N 3.28Å; F105-I107 PolarHBondContact O-N 2.96Å; F105-T108 PolarHBondContact O-N 3.36Å; F105-T108 PolarHBondContact O-OG1 2.82Å; F105-D109 PolarHBondContact O-N 2.88Å |
| 106 | N | 55 | Low | 61 | Low | 118 Ų | 118 | 108.6 Ų | 108.6 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.3 | -41 | 176.3 | -90.5 | 14.7 | 0 | 0 | 0 | 112.4 | A102 T103 T108 D109 E110 | A102-N106 PolarHBondContact O-N 3.42Å; T103-N106 PolarHBondContact O-N 3.23Å; N106-T108 VanDerWaalsContact C-N 3.28Å; N106-T108 PolarHBondContact O-N 3.15Å; N106-D109 PolarHBondContact O-N 3.22Å; N106-E110 WeakPolarHBondContact O-CB 3.4Å; N106-E110 PolarHBondContact O-N 2.95Å |
| 107 | I | 56.7 | Low | 59 | Low | 99 Ų | 99 | 110.5 Ų | 110.5 | 51% | 0.508 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62.6 | -36.6 | 178.4 | -66.8 | 164.9 | 0 | 0 | 0 | 110.9 | T103 F105 I111 | T103-I107 WeakPolarHBondContact O-CD1 3.44Å; T103-I107 VanDerWaalsContact O-CG1 3.32Å; T103-I107 WeakPolarHBondContact O-CG1 3.48Å; T103-I107 PolarHBondContact O-N 3.41Å; F105-I107 PolarHBondContact O-N 2.96Å; I107-I111 HydrophobicContact CG2-CD1 3.64Å; I107-I111 HydrophobicContact CG2-CG1 4.4Å; I107-I111 WeakPolarHBondContact O-CB 3.3Å; I107-I111 VanDerWaalsContact O-CG1 3.25Å; I107-I111 WeakPolarHBondContact O-CG1 3.48Å; I107-I111 PolarHBondContact O-N 2.96Å |
| 108 | T | 56.5 | Low | 57 | Low | 71 Ų | 71 | 111.3 Ų | 111.3 | 44% | 0.436 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.7 | -37.8 | 175.8 | 47.4 | 0 | 0 | 0 | 0 | 113.9 | Q104 F105 N106 M112 | Q104-T108 PolarHBondContact O-N 3.42Å; Q104-T108 PolarHBondContact O-OG1 3.33Å; F105-T108 PolarHBondContact O-N 3.36Å; F105-T108 PolarHBondContact O-OG1 2.82Å; N106-T108 VanDerWaalsContact C-N 3.28Å; N106-T108 PolarHBondContact O-N 3.15Å; T108-M112 WeakPolarHBondContact O-CB 3.21Å; T108-M112 WeakPolarHBondContact O-CG 3.34Å; T108-M112 PolarHBondContact O-N 3.06Å; T108-M112 VanDerWaalsContact O-N 3.12Å |
| 109 | D | 48.5 | Very low | 54.9 | Low | 119 Ų | 119 | 114.2 Ų | 114.2 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74 | -35.8 | 178.2 | -124.6 | -43.7 | 0 | 0 | 0 | 111.6 | F105 N106 M112 S113 | F105-D109 PolarHBondContact O-N 2.88Å; N106-D109 PolarHBondContact O-N 3.22Å; D109-M112 PolarHBondContact O-N 3.46Å; D109-S113 WeakPolarHBondContact O-CB 3.32Å; D109-S113 PolarHBondContact O-N 3.38Å; D109-S113 PolarHBondContact O-OG 2.78Å |
| 110 | E | 56.9 | Low | 53 | Low | 119 Ų | 119 | 119.1 Ų | 119.1 | 56% | 0.556 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.2 | -35.4 | 177.7 | -158.3 | 177.2 | 153 | 0 | 0 | 112.6 | N106 S113 Q114 | N106-E110 WeakPolarHBondContact O-CB 3.4Å; N106-E110 PolarHBondContact O-N 2.95Å; E110-S113 WeakPolarHBondContact CA-OG 3.44Å; E110-S113 PolarHBondContact O-OG 3.2Å; E110-Q114 WeakPolarHBondContact O-CG 3.42Å |
| 111 | I | 59.4 | Low | 51.2 | Low | 98 Ų | 98 | 117.6 Ų | 117.6 | 50% | 0.503 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -72.4 | -38 | 173.5 | -68.3 | 171.4 | 0 | 0 | 0 | 111.4 | I107 S113 Q114 | I107-I111 HydrophobicContact CG2-CD1 3.64Å; I107-I111 HydrophobicContact CG2-CG1 4.4Å; I107-I111 WeakPolarHBondContact O-CB 3.3Å; I107-I111 VanDerWaalsContact O-CG1 3.25Å; I107-I111 WeakPolarHBondContact O-CG1 3.48Å; I107-I111 PolarHBondContact O-N 2.96Å; I111-S113 PolarHBondContact O-N 3.43Å; I111-Q114 PolarHBondContact O-N 3.18Å |
| 112 | M | 55.6 | Low | 49.6 | Very low | 157 Ų | 157 | 123.1 Ų | 123.1 | 77% | 0.773 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -72.4 | -15.4 | 179 | -72.7 | -177.3 | 70.3 | 0 | 0 | 113.9 | T108 D109 | T108-M112 WeakPolarHBondContact O-CB 3.21Å; T108-M112 WeakPolarHBondContact O-CG 3.34Å; T108-M112 PolarHBondContact O-N 3.06Å; T108-M112 VanDerWaalsContact O-N 3.12Å; D109-M112 PolarHBondContact O-N 3.46Å |
| 113 | S | 54.3 | Low | 48 | Very low | 91 Ų | 91 | 124.3 Ų | 124.3 | 64% | 0.636 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -4.6 | 178.3 | 48.7 | 0 | 0 | 0 | 0 | 114.7 | D109 E110 I111 | D109-S113 WeakPolarHBondContact O-CB 3.32Å; D109-S113 PolarHBondContact O-N 3.38Å; D109-S113 PolarHBondContact O-OG 2.78Å; E110-S113 WeakPolarHBondContact CA-OG 3.44Å; E110-S113 PolarHBondContact O-OG 3.2Å; I111-S113 PolarHBondContact O-N 3.43Å |
| 114 | Q | 51.9 | Low | 46.5 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -97.3 | 0.6 | 178.9 | -71.7 | -176.9 | 26.9 | 0 | 0 | 115.3 | E110 I111 P116 | E110-Q114 WeakPolarHBondContact O-CG 3.42Å; I111-Q114 PolarHBondContact O-N 3.18Å; Q114-P116 VanDerWaalsContact O-CD 3.27Å; Q114-P116 WeakPolarHBondContact O-CD 3.29Å |
| 115 | F | 44.1 | Very low | 45.6 | Very low | 165 Ų | 165 | 127.9 Ų | 127.9 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | trans | -110.4 | 95.1 | 177.2 | -75.1 | -80.6 | 0 | 0 | 0 | 112.9 | S117 | F115-S117 PolarHBondContact O-N 2.85Š| ||
| 116 | P | 34 | Very low | 44.8 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | trans | -78.8 | 100.8 | 173.4 | 31.1 | -32.9 | 0 | 0 | 0 | 111 | Q114 S118 | Q114-P116 VanDerWaalsContact O-CD 3.27Å; Q114-P116 WeakPolarHBondContact O-CD 3.29Å; P116-S118 PolarHBondContact O-N 3.11Å | ||
| 117 | S | 37.4 | Very low | 43.8 | Very low | 128 Ų | 128 | 131.3 Ų | 131.3 | 90% | 0.895 | 72% | 0.724 | S | S | * | * | trans | -71.5 | 85.9 | 172.7 | -66 | 0 | 0 | 0 | 0 | 112.1 | F115 | F115-S117 PolarHBondContact O-N 2.85Š| ||
| 118 | S | 40 | Very low | 42.9 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | trans | -82.8 | 121.8 | 172.5 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | P116 | P116-S118 PolarHBondContact O-N 3.11Š| ||
| 119 | K | 33.5 | Very low | 42.2 | Very low | 193 Ų | 193 | 137 Ų | 137 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | 25 | 129.8 | 145 | -72 | -178.6 | 170.8 | 179.8 | 0 | 119 | ||||
| 120 | M | 38 | Very low | 42 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 94% | 0.936 | 75% | 0.747 | S | S | * | * | -174.4 | 172.9 | 91.6 | -92.4 | -148.7 | -91.6 | 0 | 0 | 112.4 | |||||
| 121 | A | 36.7 | Very low | 41.2 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | -107 | 157.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 122 | E | 36.7 | Very low | 40.4 | Very low | 201 Ų | 201 | 139.5 Ų | 139.5 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | 53 | 125 | 157 | -63.4 | 178.8 | 141.8 | 0 | 0 | 119.7 | ||||
| 123 | G | 36.4 | Very low | 40 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | 154.3 | 104.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 124 | E | 36.6 | Very low | 39.2 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 96% | 0.963 | 77% | 0.768 | S | S | * | * | trans | -58.6 | 154.7 | -176.1 | -59.3 | 161 | 84 | 0 | 0 | 117 | ||||
| 125 | G | 35.2 | Very low | 38.4 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | trans | 133 | 99.6 | 135.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 126 | K | 37.2 | Very low | 37.9 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | 66.9 | 122.6 | 145.3 | -68 | 179.8 | 158.6 | -97.3 | 0 | 120 | ||||
| 127 | E | 34 | Very low | 37.9 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | 66.4 | 126.7 | 105.1 | -61.2 | 168.8 | 129.4 | 0 | 0 | 112.8 | |||||
| 128 | D | 37.5 | Very low | 38 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 67% | 0.668 | 77% | 0.771 | S | S | * | * | cis | -163.8 | 176 | 33.2 | -142.2 | -31.4 | 0 | 0 | 0 | 114 | ||||
| 129 | Q | 43.3 | Very low | 38 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -6.4 | 158.7 | 161.4 | -76.8 | 161.9 | 92.7 | 0 | 0 | 121.8 | ||||
| 130 | S | 44.3 | Very low | 37.9 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 62% | 0.615 | 78% | 0.775 | S | S | * | * | cis | -172 | 161.6 | 3.8 | 43.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 131 | E | 39.4 | Very low | 37.9 | Very low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | trans | 37.6 | 157.1 | 141.7 | -58.6 | 168 | 118.4 | 0 | 0 | 121.8 | ||||
| 132 | D | 41.8 | Very low | 37.7 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 65% | 0.652 | 77% | 0.774 | S | S | * | * | cis | -160.3 | 132.9 | 14.9 | -154.8 | -130.1 | 0 | 0 | 0 | 106.3 | ||||
| 133 | K | 47.1 | Very low | 38.1 | Very low | 176 Ų | 176 | 136 Ų | 136 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | 89.1 | 152.8 | 77 | -165.5 | 179 | 176.6 | -176.5 | 0 | 117.7 | |||||
| 134 | S | 37.2 | Very low | 38.1 | Very low | 95 Ų | 95 | 137.8 Ų | 137.8 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | trans | 77.6 | 107.4 | 166.5 | -156.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 135 | I | 35.2 | Very low | 37.8 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | 69.8 | 119.8 | 66.3 | -58.3 | 164.6 | 0 | 0 | 0 | 114.2 | |||||
| 136 | T | 35 | Very low | 38.1 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 164.4 | 101.8 | 134.4 | -69.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 137 | T | 33.7 | Very low | 38.4 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | 82 | 127.9 | 93.3 | -41.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 138 | V | 40 | Very low | 38.6 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -75.2 | 167.7 | 177.7 | -69.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 139 | P | 39.8 | Very low | 39 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | -146.5 | 166.5 | 111.2 | 37.8 | -22.4 | 0 | 0 | 0 | 116.6 | |||||
| 140 | S | 31.6 | Very low | 39.3 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -83.8 | 163.8 | -176.1 | -40.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 141 | S | 37.8 | Very low | 39.2 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -135.7 | 135.5 | 160.2 | 65.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 142 | T | 32.2 | Very low | 40.3 | Very low | 125 Ų | 125 | 128 Ų | 128 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | trans | -91 | 162.2 | 177.3 | -22.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 143 | F | 44.2 | Very low | 41.6 | Very low | 204 Ų | 204 | 125.6 Ų | 125.6 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | 169.2 | 170.5 | 146.7 | -83.1 | -48.1 | 0 | 0 | 0 | 110 | ||||
| 144 | P | 37.1 | Very low | 42.6 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | -128.4 | -178.7 | -92.7 | 29.2 | -4.1 | 0 | 0 | 0 | 115.1 | |||||
| 145 | A | 31.3 | Very low | 44.3 | Very low | 102 Ų | 102 | 119 Ų | 119 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | -98.5 | 155.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 146 | P | 41 | Very low | 46.2 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | trans | -130.8 | 132.4 | 163 | 36.5 | -21.7 | 0 | 0 | 0 | 116.8 | ||||
| 147 | S | 43.8 | Very low | 48.3 | Very low | 120 Ų | 120 | 115.6 Ų | 115.6 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | trans | 38.1 | 135.9 | 142.8 | 58.1 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 148 | K | 36.8 | Very low | 50.4 | Low | 205 Ų | 205 | 114.7 Ų | 114.7 | 89% | 0.891 | 71% | 0.706 | S | S | * | * | trans | -80.9 | 155 | 171.4 | -53.5 | 170.5 | 179.8 | 176.7 | 0 | 114.3 | ||||
| 149 | P | 46.4 | Very low | 52.3 | Low | 120 Ų | 120 | 114 Ų | 114 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | trans | -120.7 | 126.1 | 140.2 | 34.1 | -23.4 | 0 | 0 | 0 | 110.8 | ||||
| 150 | S | 49 | Very low | 54.3 | Low | 117 Ų | 117 | 114.9 Ų | 114.9 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | 77.9 | 123.4 | 89.2 | -156.1 | 0 | 0 | 0 | 0 | 114 | |||||
| 151 | A | 43.6 | Very low | 56.6 | Low | 75 Ų | 75 | 114.4 Ų | 114.4 | 62% | 0.62 | 67% | 0.672 | S | S | * | * | trans | -72.1 | 146.7 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 152 | T | 61.7 | Low | 58.4 | Low | 103 Ų | 103 | 114.3 Ų | 114.3 | 63% | 0.632 | 66% | 0.659 | S | S | * | * | trans | -81 | 152.4 | -178.3 | 42.3 | 0 | 0 | 0 | 0 | 113.2 | A154 T155 | T152-A154 PolarHBondContact O-N 2.81Å; T152-T155 PolarHBondContact O-N 3.42Å; T152-T155 PolarHBondContact O-OG1 3.27Å; T152-T155 VanDerWaalsContact O-OG1 3.08Å | ||
| 153 | S | 69.7 | Low | 60.7 | Low | 71 Ų | 71 | 110.9 Ų | 110.9 | 50% | 0.497 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -46.6 | -37.7 | -175.8 | -165.4 | 0 | 0 | 0 | 0 | 114.6 | T155 Q156 E157 | S153-T155 PolarHBondContact O-N 2.7Å; S153-T155 VanDerWaalsContact O-N 3.14Å; S153-Q156 PolarHBondContact O-N 3.43Å; S153-E157 WeakPolarHBondContact CB-OE1 3.47Å; S153-E157 PolarHBondContact O-N 3.43Å; S153-E157 PolarHBondContact OG-OE1 3.06Å |
| 154 | A | 67 | Low | 62.3 | Low | 65 Ų | 65 | 104.9 Ų | 104.9 | 54% | 0.537 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -56 | -30.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T152 L158 | T152-A154 PolarHBondContact O-N 2.81Å; A154-L158 PolarHBondContact O-N 3.29Å |
| 155 | T | 74.8 | Confident | 63.6 | Low | 66 Ų | 66 | 105.6 Ų | 105.6 | 41% | 0.405 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74.9 | -37.2 | 176.3 | 61.1 | 0 | 0 | 0 | 0 | 112 | T152 S153 E157 L158 D159 | T152-T155 PolarHBondContact O-N 3.42Å; T152-T155 PolarHBondContact O-OG1 3.27Å; T152-T155 VanDerWaalsContact O-OG1 3.08Å; S153-T155 PolarHBondContact O-N 2.7Å; S153-T155 VanDerWaalsContact O-N 3.14Å; T155-E157 VanDerWaalsContact C-N 3.31Å; T155-E157 PolarHBondContact O-N 3.22Å; T155-L158 PolarHBondContact O-N 3.04Å; T155-D159 PolarHBondContact O-N 2.88Å |
| 156 | Q | 74.5 | Confident | 65.4 | Low | 99 Ų | 99 | 105.1 Ų | 105.1 | 46% | 0.463 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.7 | -30.4 | 174.6 | -64.8 | -173.5 | 19.1 | 0 | 0 | 112.5 | S153 R160 | S153-Q156 PolarHBondContact O-N 3.43Å; Q156-R160 WeakPolarHBondContact O-CB 3.49Å; Q156-R160 VanDerWaalsContact O-CG 3.26Å; Q156-R160 WeakPolarHBondContact O-CG 3.16Å; Q156-R160 PolarHBondContact O-N 2.93Å |
| 157 | E | 78.1 | Confident | 66.3 | Low | 100 Ų | 100 | 106.3 Ų | 106.3 | 47% | 0.467 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.7 | -39 | 174 | -73.2 | 162.1 | -135.8 | 0 | 0 | 111.3 | S153 T155 R160 L161 | S153-E157 WeakPolarHBondContact CB-OE1 3.47Å; S153-E157 PolarHBondContact O-N 3.43Å; S153-E157 PolarHBondContact OG-OE1 3.06Å; T155-E157 VanDerWaalsContact C-N 3.31Å; T155-E157 PolarHBondContact O-N 3.22Å; E157-R160 PolarHBondContact O-N 3.49Å; E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.93Å |
| 158 | L | 78.7 | Confident | 66.6 | Low | 107 Ų | 107 | 108.7 Ų | 108.7 | 56% | 0.56 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.8 | -44.8 | 173.1 | -172.6 | 63.1 | 0 | 0 | 0 | 112.1 | A154 T155 R160 L161 M162 | A154-L158 PolarHBondContact O-N 3.29Å; T155-L158 PolarHBondContact O-N 3.04Å; L158-R160 VanDerWaalsContact C-N 3.33Å; L158-R160 PolarHBondContact O-N 3.2Å; L158-L161 PolarHBondContact O-N 3.45Å; L158-M162 WeakPolarHBondContact O-CB 3.5Å; L158-M162 WeakPolarHBondContact O-CG 3.31Å; L158-M162 PolarHBondContact O-N 3.44Å |
| 159 | D | 80.2 | Confident | 67.4 | Low | 113 Ų | 113 | 109.5 Ų | 109.5 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62 | -38.8 | 176.2 | -76 | -29.1 | 0 | 0 | 0 | 112 | T155 M162 A163 | T155-D159 PolarHBondContact O-N 2.88Å; D159-M162 PolarHBondContact O-N 3.25Å; D159-A163 WeakPolarHBondContact O-CB 3.42Å; D159-A163 PolarHBondContact O-N 3.19Å |
| 160 | R | 80.5 | Confident | 67.6 | Low | 147 Ų | 147 | 108.6 Ų | 108.6 | 56% | 0.555 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.2 | -39.2 | 173.9 | -75.5 | 176.1 | -171.6 | 122.4 | 10.9 | 112.5 | Q156 E157 L158 S164 | Q156-R160 WeakPolarHBondContact O-CB 3.49Å; Q156-R160 VanDerWaalsContact O-CG 3.26Å; Q156-R160 WeakPolarHBondContact O-CG 3.16Å; Q156-R160 PolarHBondContact O-N 2.93Å; E157-R160 PolarHBondContact O-N 3.49Å; L158-R160 VanDerWaalsContact C-N 3.33Å; L158-R160 PolarHBondContact O-N 3.2Å; R160-S164 WeakPolarHBondContact O-CB 3.47Å; R160-S164 PolarHBondContact O-N 2.7Å; R160-S164 PolarHBondContact O-OG 3.27Å |
| 161 | L | 79.7 | Confident | 67.4 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.8 | -42.2 | 174.8 | -76.9 | 165.4 | 0 | 0 | 0 | 111.6 | E157 L158 S164 L165 | E157-L161 WeakPolarHBondContact O-CG 3.46Å; E157-L161 PolarHBondContact O-N 2.93Å; L158-L161 PolarHBondContact O-N 3.45Å; L161-S164 PolarHBondContact O-N 2.74Å; L161-L165 WeakPolarHBondContact O-CG 3.28Å; L161-L165 PolarHBondContact O-N 3Å |
| 162 | M | 77.1 | Confident | 67.2 | Low | 119 Ų | 119 | 112.7 Ų | 112.7 | 59% | 0.586 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.9 | -42.1 | 176.2 | -74.5 | -62.2 | -59.1 | 0 | 0 | 112 | L158 D159 L165 S166 | L158-M162 WeakPolarHBondContact O-CB 3.5Å; L158-M162 WeakPolarHBondContact O-CG 3.31Å; L158-M162 PolarHBondContact O-N 3.44Å; D159-M162 PolarHBondContact O-N 3.25Å; M162-L165 PolarHBondContact O-N 3.26Å; M162-S166 PolarHBondContact O-N 3.45Å |
| 163 | A | 80.8 | Confident | 66.2 | Low | 53 Ų | 53 | 114.9 Ų | 114.9 | 44% | 0.438 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.6 | -46.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D159 L165 S166 | D159-A163 WeakPolarHBondContact O-CB 3.42Å; D159-A163 PolarHBondContact O-N 3.19Å; A163-L165 PolarHBondContact O-N 2.85Å; A163-S166 WeakPolarHBondContact O-CB 3.48Å; A163-S166 PolarHBondContact O-N 3Å; A163-S166 PolarHBondContact O-OG 3.31Å |
| 164 | S | 75.9 | Confident | 64.5 | Low | 78 Ų | 78 | 119.1 Ų | 119.1 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.2 | -26.9 | -178.3 | -56.6 | 0 | 0 | 0 | 0 | 113.8 | R160 L161 | R160-S164 WeakPolarHBondContact O-CB 3.47Å; R160-S164 PolarHBondContact O-N 2.7Å; R160-S164 PolarHBondContact O-OG 3.27Å; L161-S164 PolarHBondContact O-N 2.74Å |
| 165 | L | 64.4 | Low | 63.3 | Low | 134 Ų | 134 | 122 Ų | 122 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -82.2 | -16.2 | 174.9 | -68.7 | 174.8 | 0 | 0 | 0 | 113.3 | L161 M162 A163 | L161-L165 WeakPolarHBondContact O-CG 3.28Å; L161-L165 PolarHBondContact O-N 3Å; M162-L165 PolarHBondContact O-N 3.26Å; A163-L165 PolarHBondContact O-N 2.85Å |
| 166 | S | 69.9 | Low | 61.6 | Low | 91 Ų | 91 | 123 Ų | 123 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.8 | -21.4 | 177.1 | 73.6 | 0 | 0 | 0 | 0 | 113.7 | M162 A163 | M162-S166 PolarHBondContact O-N 3.45Å; A163-S166 WeakPolarHBondContact O-CB 3.48Å; A163-S166 PolarHBondContact O-N 3Å; A163-S166 PolarHBondContact O-OG 3.31Å |
| 167 | D | 60.8 | Low | 60 | Low | 140 Ų | 140 | 124.3 Ų | 124.3 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -87.5 | -6.2 | 178.2 | -78.9 | -47.6 | 0 | 0 | 0 | 114.5 | R169 | D167-R169 PolarHBondContact O-N 3.44Š|
| 168 | F | 49 | Very low | 58 | Low | 170 Ų | 170 | 123 Ų | 123 | 75% | 0.746 | 68% | 0.677 | S | S | * | * | trans | -79.1 | 63.9 | 175.3 | -158.8 | -96.5 | 0 | 0 | 0 | 112.1 | V170 | F168-V170 HydrophobicContact CD1-CG2 4.08Å; F168-V170 HydrophobicContact CE1-CG2 3.92Å; F168-V170 PolarHBondContact O-N 2.84Å; F168-V170 VanDerWaalsContact O-N 3.14Å | ||
| 169 | R | 53.5 | Low | 56.3 | Low | 222 Ų | 222 | 123.8 Ų | 123.8 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | trans | -75.9 | 99.9 | 177.5 | -160.6 | 171.9 | -167.4 | 142.7 | 1.2 | 109.7 | D167 Q171 | D167-R169 PolarHBondContact O-N 3.44Å; R169-Q171 PolarHBondContact O-N 2.98Å; R169-Q171 VanDerWaalsContact O-N 3.09Å | ||
| 170 | V | 50.3 | Low | 54.4 | Low | 100 Ų | 100 | 124.7 Ų | 124.7 | 61% | 0.606 | 70% | 0.701 | S | S | * | * | trans | -57.6 | 115.6 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | F168 N172 | F168-V170 HydrophobicContact CD1-CG2 4.08Å; F168-V170 HydrophobicContact CE1-CG2 3.92Å; F168-V170 PolarHBondContact O-N 2.84Å; F168-V170 VanDerWaalsContact O-N 3.14Å; V170-N172 PolarHBondContact O-N 3.23Å | ||
| 171 | Q | 44.7 | Very low | 52.8 | Low | 140 Ų | 140 | 126.7 Ų | 126.7 | 65% | 0.654 | 72% | 0.717 | S | S | * | * | trans | -76.7 | 65.9 | -175.8 | -164.2 | 93.9 | -2.8 | 0 | 0 | 111.8 | R169 H173 | R169-Q171 PolarHBondContact O-N 2.98Å; R169-Q171 VanDerWaalsContact O-N 3.09Å; Q171-H173 WeakPolarHBondContact CG-NE2 3.41Å; Q171-H173 PolarHBondContact NE2-CE1 2.69Å; Q171-H173 VanDerWaalsContact NE2-CE1 3.26Å; Q171-H173 PolarHBondContact NE2-NE2 2.98Å; Q171-H173 PolarHBondContact O-N 2.9Å; Q171-H173 VanDerWaalsContact O-N 3.13Å | ||
| 172 | N | 41 | Very low | 51 | Low | 139 Ų | 139 | 127 Ų | 127 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | -78.5 | 94.1 | 175.4 | -110.3 | 4.5 | 0 | 0 | 0 | 110.6 | V170 L174 | V170-N172 PolarHBondContact O-N 3.23Å; N172-L174 PolarHBondContact O-N 3.23Å | ||
| 173 | H | 39.5 | Very low | 49.5 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | -81.9 | 111 | 172.9 | -70.3 | -63.5 | 0 | 0 | 0 | 111.5 | Q171 | Q171-H173 WeakPolarHBondContact CG-NE2 3.41Å; Q171-H173 PolarHBondContact NE2-CE1 2.69Å; Q171-H173 VanDerWaalsContact NE2-CE1 3.26Å; Q171-H173 PolarHBondContact NE2-NE2 2.98Å; Q171-H173 PolarHBondContact O-N 2.9Å; Q171-H173 VanDerWaalsContact O-N 3.13Å | ||
| 174 | L | 34.7 | Very low | 47.3 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | -121.8 | 113.1 | 167.9 | -87.1 | 157.9 | 0 | 0 | 0 | 109 | N172 | N172-L174 PolarHBondContact O-N 3.23Š| ||
| 175 | P | 42 | Very low | 45.9 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -83.6 | 144.6 | 165.8 | -5.1 | 23.8 | 0 | 0 | 0 | 110.7 | ||||
| 176 | A | 39.2 | Very low | 45 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -99.5 | 167.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 177 | S | 39.6 | Very low | 43.9 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | 71.1 | 129.2 | 147.4 | 62.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 178 | G | 36.4 | Very low | 42.7 | Very low | 72 Ų | 72 | 132.7 Ų | 132.7 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 127.5 | 99.4 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 179 | P | 43.2 | Very low | 42.1 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -100.8 | 153.6 | 168.8 | 37.4 | -31.2 | 0 | 0 | 0 | 113.1 | ||||
| 180 | P | 41.2 | Very low | 41.3 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -133.8 | 167.3 | 144.4 | 25.4 | -6.1 | 0 | 0 | 0 | 114.7 | ||||
| 181 | Q | 45.6 | Very low | 40.7 | Very low | 188 Ų | 188 | 131.3 Ų | 131.3 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -79.5 | 163.1 | -165 | -63.6 | 166.9 | -86.1 | 0 | 0 | 115.7 | ||||
| 182 | P | 42.2 | Very low | 40.1 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -94.8 | 160.1 | 168.4 | 38.3 | -33.9 | 0 | 0 | 0 | 113.1 | ||||
| 183 | P | 46.8 | Very low | 40.1 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -112.5 | 151.7 | 158 | 36.1 | -26.7 | 0 | 0 | 0 | 112.5 | ||||
| 184 | A | 33.6 | Very low | 40.2 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -123.3 | 141.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 185 | V | 46 | Very low | 41 | Very low | 148 Ų | 148 | 125.5 Ų | 125.5 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -148 | 146.4 | 158.1 | -163.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 186 | S | 45.1 | Very low | 41.1 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -117.9 | -159.7 | -166.9 | -44 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 187 | P | 46.6 | Very low | 40.7 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | -131.5 | 174.9 | -123.3 | 37.7 | -15.9 | 0 | 0 | 0 | 116.8 | |||||
| 188 | T | 37.2 | Very low | 40.9 | Very low | 143 Ų | 143 | 127.8 Ų | 127.8 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -175.2 | 160.7 | 162.4 | 26.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 189 | R | 36 | Very low | 40.8 | Very low | 209 Ų | 209 | 130.4 Ų | 130.4 | 79% | 0.789 | 81% | 0.805 | S | S | * | * | cis | -168.5 | 160.2 | -42.6 | -145.7 | -171.5 | -171.2 | -161.3 | 5.3 | 107.1 | ||||
| 190 | E | 36.9 | Very low | 41.1 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | 70.1 | 143.9 | 166.6 | -62.9 | 160.9 | -162.7 | 0 | 0 | 116.8 | ||||
| 191 | G | 37.1 | Very low | 41.4 | Very low | 80 Ų | 80 | 134.9 Ų | 134.9 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | cis | -158.7 | 175.4 | -2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 192 | C | 32 | Very low | 42 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -110.3 | 151.8 | -173.7 | -169.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 193 | P | 41.4 | Very low | 43 | Very low | 129 Ų | 129 | 125.6 Ų | 125.6 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | -145.7 | 165.3 | 115.9 | 35.1 | -18.1 | 0 | 0 | 0 | 116.1 | |||||
| 194 | S | 41.1 | Very low | 44 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -115.4 | -165.5 | 178 | 58.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 195 | P | 51.6 | Low | 45.8 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | cis | -114.6 | -129.8 | -26.4 | 35.7 | -14.8 | 0 | 0 | 0 | 108 | ||||
| 196 | P | 43.5 | Very low | 47.3 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | cis | -129.4 | 170.2 | -31.4 | 36.6 | -18.9 | 0 | 0 | 0 | 117 | ||||
| 197 | G | 32.6 | Very low | 48.5 | Very low | 71 Ų | 71 | 123.9 Ų | 123.9 | 73% | 0.732 | 73% | 0.73 | S | S | * | * | trans | 0.8 | 136 | 159.7 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 198 | Q | 44 | Very low | 50 | Low | 196 Ų | 196 | 123.3 Ų | 123.3 | 92% | 0.916 | 72% | 0.72 | S | S | * | * | -162.3 | 149.4 | 118.4 | -107.4 | 170.2 | 26.8 | 0 | 0 | 113.6 | |||||
| 199 | T | 34.1 | Very low | 51.7 | Low | 128 Ų | 128 | 118.3 Ų | 118.3 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | trans | -48.9 | 128.9 | -179.3 | 49.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 200 | N | 49.7 | Very low | 53.8 | Low | 136 Ų | 136 | 113.6 Ų | 113.6 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | -157.1 | 107.9 | 152.2 | -120.6 | -33.1 | 0 | 0 | 0 | 114 | G202 S203 | N200-G202 PolarHBondContact O-N 3.48Å; N200-G202 VanDerWaalsContact O-N 3.11Å; N200-S203 PolarHBondContact O-N 3.06Å | ||
| 201 | K | 47.6 | Very low | 55.3 | Low | 215 Ų | 215 | 110.5 Ų | 110.5 | 94% | 0.935 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 4 | -176.5 | -89.8 | -176 | 172.6 | -178.4 | 0 | 115.3 | ||
| 202 | G | 56.7 | Low | 56.9 | Low | 50 Ų | 50 | 113.5 Ų | 113.5 | 52% | 0.515 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.8 | 6.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N200 | N200-G202 PolarHBondContact O-N 3.48Å; N200-G202 VanDerWaalsContact O-N 3.11Å |
| 203 | S | 63.3 | Low | 58.8 | Low | 61 Ų | 61 | 111.2 Ų | 111.2 | 43% | 0.427 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -82.1 | -29.9 | -177.2 | -174.4 | 0 | 0 | 0 | 0 | 113.4 | N200 T206 M207 | N200-S203 PolarHBondContact O-N 3.06Å; S203-T206 PolarHBondContact O-N 2.9Å; S203-M207 WeakPolarHBondContact O-CB 3.4Å; S203-M207 WeakPolarHBondContact O-CG 3.26Å; S203-M207 PolarHBondContact O-N 2.9Å |
| 204 | L | 67.8 | Low | 60.3 | Low | 123 Ų | 123 | 109.2 Ų | 109.2 | 64% | 0.644 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.3 | -42.1 | -171.7 | -66.3 | 176.8 | 0 | 0 | 0 | 113.1 | T206 M207 L208 | L204-T206 PolarHBondContact O-N 3.42Å; L204-M207 WeakPolarHBondContact O-CB 3.32Å; L204-M207 PolarHBondContact O-N 3.15Å; L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 VanDerWaalsContact O-CG 3.3Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 3.24Å |
| 205 | D | 72.2 | Confident | 61.6 | Low | 122 Ų | 122 | 107.7 Ų | 107.7 | 65% | 0.652 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.8 | -38.8 | 179 | -59.8 | -84 | 0 | 0 | 0 | 112.3 | L208 G209 | D205-L208 PolarHBondContact O-N 3.37Å; D205-G209 PolarHBondContact O-N 2.89Å |
| 206 | T | 76.5 | Confident | 62.4 | Low | 90 Ų | 90 | 106.2 Ų | 106.2 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.6 | -43.3 | 172.3 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | S203 L204 G209 L210 | S203-T206 PolarHBondContact O-N 2.9Å; L204-T206 PolarHBondContact O-N 3.42Å; T206-G209 PolarHBondContact O-N 2.71Å; T206-L210 HydrophobicContact CG2-CD1 4.14Å; T206-L210 WeakPolarHBondContact O-CB 3.27Å; T206-L210 WeakPolarHBondContact O-CG 3.46Å; T206-L210 PolarHBondContact O-N 3.42Å |
| 207 | M | 71.7 | Confident | 63.7 | Low | 104 Ų | 104 | 111.1 Ų | 111.1 | 51% | 0.512 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62.6 | -41.7 | 175.5 | -69.1 | -94.8 | -74.8 | 0 | 0 | 111.6 | S203 L204 L210 L211 | S203-M207 WeakPolarHBondContact O-CB 3.4Å; S203-M207 WeakPolarHBondContact O-CG 3.26Å; S203-M207 PolarHBondContact O-N 2.9Å; L204-M207 WeakPolarHBondContact O-CB 3.32Å; L204-M207 PolarHBondContact O-N 3.15Å; M207-L210 PolarHBondContact O-N 3.38Å; M207-L211 VanDerWaalsContact O-CB 3.32Å; M207-L211 WeakPolarHBondContact O-CB 3.5Å; M207-L211 WeakPolarHBondContact O-CD1 3.38Å; M207-L211 WeakPolarHBondContact O-CG 3.49Å; M207-L211 PolarHBondContact O-N 3.42Å |
| 208 | L | 76.6 | Confident | 65.2 | Low | 104 Ų | 104 | 116.9 Ų | 116.9 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.8 | -43.8 | 176.4 | -72.7 | 169.3 | 0 | 0 | 0 | 112 | L204 D205 L211 Q212 | L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 VanDerWaalsContact O-CG 3.3Å; L204-L208 WeakPolarHBondContact O-CG 3.47Å; L204-L208 PolarHBondContact O-N 3.24Å; D205-L208 PolarHBondContact O-N 3.37Å; L208-L211 PolarHBondContact O-N 3.01Å; L208-Q212 WeakPolarHBondContact O-CB 3.36Å; L208-Q212 PolarHBondContact O-N 2.85Å |
| 209 | G | 74.2 | Confident | 65.7 | Low | 38 Ų | 38 | 110.5 Ų | 110.5 | 39% | 0.392 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.9 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | D205 T206 S213 | D205-G209 PolarHBondContact O-N 2.89Å; T206-G209 PolarHBondContact O-N 2.71Å; G209-S213 WeakPolarHBondContact O-CB 3.39Å; G209-S213 PolarHBondContact O-N 3.2Å; G209-S213 VanDerWaalsContact O-N 3.09Å; G209-S213 PolarHBondContact O-OG 3.24Å |
| 210 | L | 78.5 | Confident | 66.8 | Low | 109 Ų | 109 | 108.2 Ų | 108.2 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.7 | -47.4 | 173.4 | -72.1 | 170.5 | 0 | 0 | 0 | 111.5 | T206 M207 Q212 S213 D214 | T206-L210 HydrophobicContact CG2-CD1 4.14Å; T206-L210 WeakPolarHBondContact O-CB 3.27Å; T206-L210 WeakPolarHBondContact O-CG 3.46Å; T206-L210 PolarHBondContact O-N 3.42Å; M207-L210 PolarHBondContact O-N 3.38Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; L210-Q212 PolarHBondContact O-N 3.02Å; L210-S213 CarbonylContact O-C 3.6Å; L210-S213 WeakPolarHBondContact O-CA 3.02Å; L210-S213 WeakPolarHBondContact O-CB 3.48Å; L210-S213 PolarHBondContact O-N 3.46Å; L210-S213 VanDerWaalsContact O-N 3.08Å; L210-D214 PolarHBondContact O-N 2.88Å |
| 211 | L | 68.5 | Low | 67 | Low | 109 Ų | 109 | 107.2 Ų | 107.2 | 57% | 0.571 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -58.7 | -41.3 | 177.3 | -75.2 | 166.3 | 0 | 0 | 0 | 112.1 | M207 L208 S213 D214 L215 | M207-L211 VanDerWaalsContact O-CB 3.32Å; M207-L211 WeakPolarHBondContact O-CB 3.5Å; M207-L211 WeakPolarHBondContact O-CD1 3.38Å; M207-L211 WeakPolarHBondContact O-CG 3.49Å; M207-L211 PolarHBondContact O-N 3.42Å; L208-L211 PolarHBondContact O-N 3.01Å; L211-S213 VanDerWaalsContact C-N 3.31Å; L211-S213 PolarHBondContact O-N 3.01Å; L211-D214 PolarHBondContact O-N 2.85Å; L211-L215 VanDerWaalsContact O-CB 3.3Å; L211-L215 WeakPolarHBondContact O-CB 3.37Å; L211-L215 PolarHBondContact O-N 3.5Å |
| 212 | Q | 72 | Confident | 67.5 | Low | 144 Ų | 144 | 100.7 Ų | 100.7 | 67% | 0.673 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.7 | -29.6 | 177.4 | -168.6 | 152.6 | 7.7 | 0 | 0 | 112.6 | L208 L210 S216 | L208-Q212 WeakPolarHBondContact O-CB 3.36Å; L208-Q212 PolarHBondContact O-N 2.85Å; L210-Q212 VanDerWaalsContact C-N 3.31Å; L210-Q212 PolarHBondContact O-N 3.02Å; Q212-S216 WeakPolarHBondContact O-CB 3.46Å; Q212-S216 PolarHBondContact O-N 3.02Å; Q212-S216 PolarHBondContact O-OG 3.31Å |
| 213 | S | 70.9 | Confident | 67.8 | Low | 66 Ų | 66 | 106.3 Ų | 106.3 | 46% | 0.462 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73.2 | -36.4 | 172.3 | -56.4 | 0 | 0 | 0 | 0 | 112.6 | G209 L210 L211 S216 R217 | G209-S213 WeakPolarHBondContact O-CB 3.39Å; G209-S213 PolarHBondContact O-N 3.2Å; G209-S213 VanDerWaalsContact O-N 3.09Å; G209-S213 PolarHBondContact O-OG 3.24Å; L210-S213 CarbonylContact O-C 3.6Å; L210-S213 WeakPolarHBondContact O-CA 3.02Å; L210-S213 WeakPolarHBondContact O-CB 3.48Å; L210-S213 PolarHBondContact O-N 3.46Å; L210-S213 VanDerWaalsContact O-N 3.08Å; L211-S213 VanDerWaalsContact C-N 3.31Å; L211-S213 PolarHBondContact O-N 3.01Å; S213-S216 WeakPolarHBondContact CA-OG 3.37Å; S213-S216 PolarHBondContact O-OG 3.27Å; S213-S216 VanDerWaalsContact O-OG 3.04Å; S213-R217 WeakPolarHBondContact O-CB 3.34Å; S213-R217 WeakPolarHBondContact O-CG 3.36Å; S213-R217 PolarHBondContact O-N 3.47Å; S213-R217 VanDerWaalsContact O-N 3.13Å |
| 214 | D | 73.4 | Confident | 68 | Low | 88 Ų | 88 | 106 Ų | 106 | 47% | 0.471 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.7 | -41.5 | 176.3 | -128 | -71.6 | 0 | 0 | 0 | 111.6 | L210 L211 S216 R217 R218 | L210-D214 PolarHBondContact O-N 2.88Å; L211-D214 PolarHBondContact O-N 2.85Å; D214-S216 VanDerWaalsContact C-N 3.34Å; D214-S216 PolarHBondContact O-N 3.39Å; D214-R217 PolarHBondContact O-N 2.92Å; D214-R218 WeakPolarHBondContact O-CB 3.35Å; D214-R218 WeakPolarHBondContact O-CG 3.38Å; D214-R218 PolarHBondContact O-N 3.48Å; D214-R218 IonicContact OD1-NE 3.63Å |
| 215 | L | 69.4 | Low | 68.4 | Low | 72 Ų | 72 | 105.6 Ų | 105.6 | 38% | 0.377 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.4 | -38.2 | -179.8 | -157.8 | 68.3 | 0 | 0 | 0 | 111.9 | L211 R218 T222 | L211-L215 VanDerWaalsContact O-CB 3.3Å; L211-L215 WeakPolarHBondContact O-CB 3.37Å; L211-L215 PolarHBondContact O-N 3.5Å; L215-R218 PolarHBondContact O-N 3.01Å; L215-T222 HydrophobicContact CD2-CG2 3.66Å; L215-T222 HydrophobicContact CG-CG2 4.35Å |
| 216 | S | 68.3 | Low | 69.1 | Low | 85 Ų | 85 | 101.6 Ų | 101.6 | 59% | 0.594 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.4 | -39 | 173.1 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | Q212 S213 D214 R218 G219 | Q212-S216 WeakPolarHBondContact O-CB 3.46Å; Q212-S216 PolarHBondContact O-N 3.02Å; Q212-S216 PolarHBondContact O-OG 3.31Å; S213-S216 WeakPolarHBondContact CA-OG 3.37Å; S213-S216 PolarHBondContact O-OG 3.27Å; S213-S216 VanDerWaalsContact O-OG 3.04Å; D214-S216 VanDerWaalsContact C-N 3.34Å; D214-S216 PolarHBondContact O-N 3.39Å; S216-R218 VanDerWaalsContact C-N 3.31Å; S216-R218 PolarHBondContact O-N 2.98Å; S216-G219 PolarHBondContact O-N 3.31Å |
| 217 | R | 69.4 | Low | 69.8 | Low | 223 Ų | 223 | 102.4 Ų | 102.4 | 84% | 0.842 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.4 | -31.4 | 171.5 | -81.8 | -179 | 167.9 | -135.6 | -2.9 | 113.8 | S213 D214 G219 | S213-R217 WeakPolarHBondContact O-CB 3.34Å; S213-R217 WeakPolarHBondContact O-CG 3.36Å; S213-R217 PolarHBondContact O-N 3.47Å; S213-R217 VanDerWaalsContact O-N 3.13Å; D214-R217 PolarHBondContact O-N 2.92Å; R217-G219 PolarHBondContact O-N 3.32Å |
| 218 | R | 64 | Low | 70.8 | Confident | 191 Ų | 191 | 97.5 Ų | 97.5 | 72% | 0.721 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 7.8 | 178.7 | -78.2 | 175.4 | 162.3 | -95.1 | -2.9 | 114.5 | D214 L215 S216 V220 | D214-R218 WeakPolarHBondContact O-CB 3.35Å; D214-R218 WeakPolarHBondContact O-CG 3.38Å; D214-R218 PolarHBondContact O-N 3.48Å; D214-R218 IonicContact OD1-NE 3.63Å; L215-R218 PolarHBondContact O-N 3.01Å; S216-R218 VanDerWaalsContact C-N 3.31Å; S216-R218 PolarHBondContact O-N 2.98Å; R218-V220 PolarHBondContact O-N 3.23Å |
| 219 | G | 55.4 | Low | 71.4 | Confident | 62 Ų | 62 | 93.3 Ų | 93.3 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 18.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S216 R217 P221 | S216-G219 PolarHBondContact O-N 3.31Å; R217-G219 PolarHBondContact O-N 3.32Å; G219-P221 WeakPolarHBondContact O-CD 3.26Å |
| 220 | V | 57.5 | Low | 72.3 | Confident | 80 Ų | 80 | 94.9 Ų | 94.9 | 49% | 0.485 | 52% | 0.523 | S | S | . | . | trans | -100.9 | 91.9 | 172.1 | -176 | 0 | 0 | 0 | 0 | 107.7 | R218 T222 | R218-V220 PolarHBondContact O-N 3.23Å; V220-T222 VanDerWaalsContact C-N 3.31Å; V220-T222 HydrophobicContact CG1-CG2 4.05Å; V220-T222 PolarHBondContact O-N 3.2Å | ||
| 221 | P | 54.4 | Low | 73 | Confident | 116 Ų | 116 | 91.5 Ų | 91.5 | 75% | 0.753 | 51% | 0.508 | S | S | * | . | trans | -70.2 | 88.8 | 177.5 | 29.5 | -35.5 | 0 | 0 | 0 | 109.8 | G219 Q223 | G219-P221 WeakPolarHBondContact O-CD 3.26Å; P221-Q223 PolarHBondContact O-N 3.06Å | ||
| 222 | T | 57 | Low | 74.1 | Confident | 78 Ų | 78 | 91.8 Ų | 91.8 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | trans | -75.3 | 54.4 | 166.1 | 60.2 | 0 | 0 | 0 | 0 | 110.5 | L215 V220 A224 | L215-T222 HydrophobicContact CD2-CG2 3.66Å; L215-T222 HydrophobicContact CG-CG2 4.35Å; V220-T222 VanDerWaalsContact C-N 3.31Å; V220-T222 HydrophobicContact CG1-CG2 4.05Å; V220-T222 PolarHBondContact O-N 3.2Å; T222-A224 PolarHBondContact O-N 3.47Å | ||
| 223 | Q | 62.8 | Low | 75.1 | Confident | 168 Ų | 168 | 91.5 Ų | 91.5 | 79% | 0.785 | 51% | 0.507 | S | S | * | . | trans | -68.8 | 113.5 | 170.2 | -164.6 | 175.6 | 36.7 | 0 | 0 | 107.3 | P221 K225 | P221-Q223 PolarHBondContact O-N 3.06Å; Q223-K225 PolarHBondContact O-N 3.01Å | ||
| 224 | A | 67.5 | Low | 76 | Confident | 53 Ų | 53 | 92.2 Ų | 92.2 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | trans | -59.9 | 126.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | T222 G226 P234 I235 | T222-A224 PolarHBondContact O-N 3.47Å; A224-G226 PolarHBondContact O-N 3.39Å; A224-P234 HydrophobicContact CB-CB 3.73Å; A224-I235 WeakPolarHBondContact CA-O 3.34Å | ||
| 225 | K | 76.8 | Confident | 76.7 | Confident | 115 Ų | 115 | 88 Ų | 88 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | trans | -79.6 | 33.5 | -174.3 | -61.8 | -176.1 | 179.3 | 172.7 | 0 | 113 | Q223 I235 G237 V239 A246 | Q223-K225 PolarHBondContact O-N 3.01Å; K225-I235 PolarHBondContact N-O 2.81Å; K225-G237 WeakPolarHBondContact CE-O 3.35Å; K225-G237 PolarHBondContact NZ-O 2.82Å; K225-V239 HydrophobicContact CB-CB 4.28Å; K225-V239 HydrophobicContact CB-CG1 4.29Å; K225-V239 HydrophobicContact CB-CG2 4.38Å; K225-V239 HydrophobicContact CD-CB 3.95Å; K225-V239 HydrophobicContact CD-CG1 3.45Å; K225-V239 VanDerWaalsContact CD-CG1 3.45Å; K225-A246 WeakPolarHBondContact O-CB 3.43Å | ||
| 226 | G | 86 | Confident | 77.5 | Confident | 38 Ų | 38 | 88 Ų | 88 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | trans | 94.1 | -179.4 | -168 | 0 | 0 | 0 | 0 | 0 | 113.7 | A224 I235 | A224-G226 PolarHBondContact O-N 3.39Å; G226-I235 PolarHBondContact O-N 2.92Å | ||
| 227 | L | 92.4 | Very high | 78.3 | Confident | 108 Ų | 108 | 86.6 Ų | 86.6 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | B | Isolated β-bridge | trans | -91.5 | 141.5 | 175.2 | -58.3 | 179.8 | 0 | 0 | 0 | 110.3 | G229 K233 P234 | L227-G229 PolarHBondContact O-N 2.85Å; L227-K233 WeakPolarHBondContact CA-O 3.44Å; L227-P234 HydrophobicContact CD2-CB 4.28Å |
| 228 | C | 92.6 | Very high | 79.2 | Confident | 0 Ų | 0 | 83.2 Ų | 83.2 | 0% | 0 | 49% | 0.49 | C | S | . | . | B | Isolated β-bridge | trans | -68.9 | 122.7 | 177.8 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | S230 C231 N232 K233 I235 A246 H251 | C228-S230 PolarHBondContact O-N 3.2Å; C228-C231 VanDerWaalsContact CB-SG 3.59Å; C228-C231 PolarHBondContact O-N 3.27Å; C228-N232 VanDerWaalsContact O-CA 3.32Å; C228-N232 WeakPolarHBondContact O-CA 3.43Å; C228-N232 PolarHBondContact O-N 2.91Å; C228-K233 PolarHBondContact N-O 3.05Å; C228-I235 HydrophobicContact CB-CD1 3.99Å; C228-I235 HydrophobicContact CB-CG1 3.86Å; C228-A246 CarbonylContact C-O 3.54Å; C228-A246 VanDerWaalsContact CA-O 3.31Å; C228-A246 WeakPolarHBondContact CA-O 3.46Å; C228-H251 PolarHBondContact SG-ND1 3.46Å |
| 229 | G | 89.4 | Confident | 80.4 | Confident | 17 Ų | 17 | 76.2 Ų | 76.2 | 18% | 0.175 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -11.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | L227 A246 W247 | L227-G229 PolarHBondContact O-N 2.85Å; G229-A246 PolarHBondContact N-O 3.17Å; G229-W247 VanDerWaalsContact C-CZ3 3.46Å |
| 230 | S | 91.2 | Very high | 82 | Confident | 71 Ų | 71 | 74.2 Ų | 74.2 | 50% | 0.497 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -40.9 | 174.8 | -178.3 | 0 | 0 | 0 | 0 | 113.6 | C228 | C228-S230 PolarHBondContact O-N 3.2Š|
| 231 | C | 94 | Very high | 83.6 | Confident | 37 Ų | 37 | 75.9 Ų | 75.9 | 25% | 0.25 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -2 | -170.8 | 75.5 | 0 | 0 | 0 | 0 | 115 | C228 K233 H251 | C228-C231 VanDerWaalsContact CB-SG 3.59Å; C228-C231 PolarHBondContact O-N 3.27Å; C231-K233 PolarHBondContact O-N 3.44Å; C231-H251 PolarHBondContact SG-CE1 2.93Å; C231-H251 PolarHBondContact SG-ND1 3.45Å; C231-H251 VanDerWaalsContact SG-ND1 3.44Å |
| 232 | N | 92.2 | Very high | 85.2 | Confident | 115 Ų | 115 | 70.8 Ų | 70.8 | 62% | 0.615 | 42% | 0.422 | S | S | * | . | trans | 55.1 | 17 | -178.1 | -59.6 | -41.5 | 0 | 0 | 0 | 115.9 | C228 | C228-N232 VanDerWaalsContact O-CA 3.32Å; C228-N232 WeakPolarHBondContact O-CA 3.43Å; C228-N232 PolarHBondContact O-N 2.91Å | ||
| 233 | K | 91.8 | Very high | 86.7 | Confident | 138 Ų | 138 | 68.6 Ų | 68.6 | 60% | 0.6 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 149.5 | 173.9 | -61.8 | 178.6 | -177.2 | 179.9 | 0 | 111 | L227 C228 C231 | L227-K233 WeakPolarHBondContact CA-O 3.44Å; C228-K233 PolarHBondContact N-O 3.05Å; C231-K233 PolarHBondContact O-N 3.44Å |
| 234 | P | 91.3 | Very high | 87.8 | Confident | 81 Ų | 81 | 64.7 Ų | 64.7 | 53% | 0.526 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -64.6 | 135.8 | 176.4 | 26.9 | -34.8 | 0 | 0 | 0 | 111.6 | A224 L227 | A224-P234 HydrophobicContact CB-CB 3.73Å; L227-P234 HydrophobicContact CD2-CB 4.28Å |
| 235 | I | 88.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 116.3 | -178.7 | -59.6 | 165.6 | 0 | 0 | 0 | 110.1 | A224 K225 G226 C228 Q238 V239 A246 | A224-I235 WeakPolarHBondContact CA-O 3.34Å; K225-I235 PolarHBondContact N-O 2.81Å; G226-I235 PolarHBondContact O-N 2.92Å; C228-I235 HydrophobicContact CB-CD1 3.99Å; C228-I235 HydrophobicContact CB-CG1 3.86Å; I235-Q238 VanDerWaalsContact CG2-O 3.29Å; I235-Q238 WeakPolarHBondContact CG2-O 3.25Å; I235-V239 HydrophobicContact CD1-CG2 3.92Å; I235-V239 HydrophobicContact CG2-CB 3.94Å; I235-V239 HydrophobicContact CG2-CG2 4.18Å; I235-A246 HydrophobicContact CD1-CB 3.52Å |
| 236 | A | 85.7 | Confident | 89.6 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 60% | 0.595 | 40% | 0.4 | S | S | * | . | trans | -104.6 | 137.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 237 | G | 85.7 | Confident | 90 | Very high | 55 Ų | 55 | 64 Ų | 64 | 57% | 0.567 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 84.2 | -122.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | K225 | K225-G237 WeakPolarHBondContact CE-O 3.35Å; K225-G237 PolarHBondContact NZ-O 2.82Å |
| 238 | Q | 86.8 | Confident | 89.9 | Confident | 153 Ų | 153 | 60.2 Ų | 60.2 | 72% | 0.715 | 37% | 0.366 | S | S | * | . | trans | -72.6 | 142.2 | 179.4 | -71.3 | -177.5 | -16.6 | 0 | 0 | 111.1 | I235 P249 | I235-Q238 VanDerWaalsContact CG2-O 3.29Å; I235-Q238 WeakPolarHBondContact CG2-O 3.25Å; Q238-P249 HydrophobicContact CB-CG 3.9Å | ||
| 239 | V | 89.5 | Confident | 89.9 | Confident | 43 Ų | 43 | 62.2 Ų | 62.2 | 26% | 0.261 | 38% | 0.379 | S | S | . | . | trans | -135.5 | 141.6 | 178.1 | 62.2 | 0 | 0 | 0 | 0 | 108.9 | K225 I235 A246 | K225-V239 HydrophobicContact CB-CB 4.28Å; K225-V239 HydrophobicContact CB-CG1 4.29Å; K225-V239 HydrophobicContact CB-CG2 4.38Å; K225-V239 HydrophobicContact CD-CB 3.95Å; K225-V239 HydrophobicContact CD-CG1 3.45Å; K225-V239 VanDerWaalsContact CD-CG1 3.45Å; I235-V239 HydrophobicContact CD1-CG2 3.92Å; I235-V239 HydrophobicContact CG2-CB 3.94Å; I235-V239 HydrophobicContact CG2-CG2 4.18Å; V239-A246 HydrophobicContact CG2-CB 3.82Å | ||
| 240 | V | 90.3 | Very high | 90 | Very high | 20 Ų | 20 | 67.5 Ų | 67.5 | 12% | 0.121 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.1 | 163.2 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | A242 A246 W247 P249 F252 | V240-A242 HydrophobicContact CG1-CB 4.31Å; V240-A246 CarbonylContact O-C 3.57Å; V240-W247 HydrophobicContact CB-CB 4.36Å; V240-W247 PolarHBondContact N-O 3.07Å; V240-W247 PolarHBondContact O-N 3Å; V240-P249 HydrophobicContact CG2-CB 4.31Å; V240-P249 HydrophobicContact CG2-CG 4.34Å; V240-F252 HydrophobicContact CB-CB 4.31Å; V240-F252 HydrophobicContact CB-CG 4.41Å; V240-F252 HydrophobicContact CG1-CB 4.23Å; V240-F252 HydrophobicContact CG1-CD1 3.66Å; V240-F252 HydrophobicContact CG1-CD2 4.37Å; V240-F252 HydrophobicContact CG1-CE1 4.12Å; V240-F252 HydrophobicContact CG1-CG 3.82Å; V240-F252 HydrophobicContact CG2-CB 4.46Å |
| 241 | T | 90.1 | Very high | 90 | Very high | 115 Ų | 115 | 66.7 Ų | 66.7 | 71% | 0.706 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 110.3 | 175.9 | -52.3 | 0 | 0 | 0 | 0 | 108.2 | R245 | T241-R245 WeakPolarHBondContact CA-O 3.17Å |
| 242 | A | 88.3 | Confident | 90 | Very high | 10 Ų | 10 | 65 Ų | 65 | 8% | 0.083 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 154.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V240 G244 R245 W247 F252 F266 | V240-A242 HydrophobicContact CG1-CB 4.31Å; A242-G244 PolarHBondContact O-N 2.67Å; A242-R245 PolarHBondContact N-O 3.08Å; A242-R245 PolarHBondContact O-N 3.14Å; A242-W247 PolarHBondContact O-NE1 2.93Å; A242-F252 HydrophobicContact CB-CD2 4.36Å; A242-F252 HydrophobicContact CB-CE1 4.22Å; A242-F252 HydrophobicContact CB-CE2 3.52Å; A242-F252 HydrophobicContact CB-CZ 3.44Å; A242-F252 VanDerWaalsContact CB-CZ 3.44Å; A242-F266 HydrophobicContact CB-CE1 4.34Å; A242-F266 HydrophobicContact CB-CE2 4.4Å; A242-F266 HydrophobicContact CB-CZ 3.72Å |
| 243 | L | 88 | Confident | 90.1 | Very high | 31 Ų | 31 | 62.5 Ų | 62.5 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 34.5 | 178.6 | -43 | 175.5 | 0 | 0 | 0 | 112.8 | R245 W247 F252 F266 E268 P273 | L243-R245 PolarHBondContact O-N 3.2Å; L243-R245 VanDerWaalsContact O-N 3.15Å; L243-W247 HydrophobicContact CB-CZ2 4.48Å; L243-W247 HydrophobicContact CD1-CZ2 4.08Å; L243-F252 HydrophobicContact CD1-CE2 4.07Å; L243-F252 HydrophobicContact CG-CE2 4.29Å; L243-F266 HydrophobicContact CD2-CE2 4.18Å; L243-E268 HydrophobicContact CD2-CB 3.7Å; L243-E268 HydrophobicContact CD2-CG 3.55Å; L243-E268 VanDerWaalsContact CD2-OE2 3.27Å; L243-E268 WeakPolarHBondContact CD2-OE2 3.37Å; L243-P273 HydrophobicContact CD1-CB 4Å; L243-P273 HydrophobicContact CD1-CG 3.91Å |
| 244 | G | 86.8 | Confident | 90.3 | Very high | 86 Ų | 86 | 56 Ų | 56 | 89% | 0.887 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 10.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | A242 | A242-G244 PolarHBondContact O-N 2.67Š|
| 245 | R | 90.1 | Very high | 90.4 | Very high | 148 Ų | 148 | 61.2 Ų | 61.2 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 159 | -176.4 | -63.4 | -178.4 | -174.9 | -153.4 | -1.7 | 111.8 | T241 A242 L243 W247 | T241-R245 WeakPolarHBondContact CA-O 3.17Å; A242-R245 PolarHBondContact N-O 3.08Å; A242-R245 PolarHBondContact O-N 3.14Å; L243-R245 PolarHBondContact O-N 3.2Å; L243-R245 VanDerWaalsContact O-N 3.15Å; R245-W247 HydrophobicContact CB-CZ2 4.01Å; R245-W247 VanDerWaalsContact O-CD1 3.31Å; R245-W247 PolarHBondContact O-NE1 2.99Å |
| 246 | A | 91.8 | Very high | 90.6 | Very high | 15 Ų | 15 | 62.2 Ų | 62.2 | 12% | 0.124 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 144.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | K225 C228 G229 I235 V239 V240 | K225-A246 WeakPolarHBondContact O-CB 3.43Å; C228-A246 CarbonylContact C-O 3.54Å; C228-A246 VanDerWaalsContact CA-O 3.31Å; C228-A246 WeakPolarHBondContact CA-O 3.46Å; G229-A246 PolarHBondContact N-O 3.17Å; I235-A246 HydrophobicContact CD1-CB 3.52Å; V239-A246 HydrophobicContact CG2-CB 3.82Å; V240-A246 CarbonylContact O-C 3.57Å |
| 247 | W | 92.9 | Very high | 91.1 | Very high | 28 Ų | 28 | 61.5 Ų | 61.5 | 11% | 0.106 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147.1 | -178.5 | -50 | 80.8 | 0 | 0 | 0 | 110.9 | G229 V240 A242 L243 R245 F252 | G229-W247 VanDerWaalsContact C-CZ3 3.46Å; V240-W247 HydrophobicContact CB-CB 4.36Å; V240-W247 PolarHBondContact N-O 3.07Å; V240-W247 PolarHBondContact O-N 3Å; A242-W247 PolarHBondContact O-NE1 2.93Å; L243-W247 HydrophobicContact CB-CZ2 4.48Å; L243-W247 HydrophobicContact CD1-CZ2 4.08Å; R245-W247 HydrophobicContact CB-CZ2 4.01Å; R245-W247 VanDerWaalsContact O-CD1 3.31Å; R245-W247 PolarHBondContact O-NE1 2.99Å; W247-F252 HydrophobicContact CB-CB 4.03Å; W247-F252 HydrophobicContact CB-CD2 4.27Å; W247-F252 AromaticContact CD1-CD2 3.8Å; W247-F252 AromaticContact CD2-CD2 3.9Å; W247-F252 HydrophobicContact CD2-CD2 3.9Å; W247-F252 HydrophobicContact CE3-CD2 4.49Å; W247-F252 HydrophobicContact CG-CB 4.41Å; W247-F252 AromaticContact CG-CD2 3.75Å; W247-F252 HydrophobicContact CG-CD2 3.75Å; W247-F252 HydrophobicContact CG-CG 4.46Å |
| 248 | H | 92 | Very high | 91.4 | Very high | 29 Ų | 29 | 63 Ų | 63 | 13% | 0.134 | 35% | 0.346 | C | S | . | . | trans | -65 | 143.9 | 160.4 | -61.6 | 128.8 | 0 | 0 | 0 | 108.8 | E250 H251 F252 | H248-E250 HydrophobicContact CB-CG 3.95Å; H248-E250 PolarHBondContact O-N 2.89Å; H248-E250 VanDerWaalsContact O-N 3.16Å; H248-H251 HydrophobicContact CB-CB 4.18Å; H248-H251 AromaticContact CG-ND1 3.95Å; H248-H251 AromaticContact ND1-CE1 3.52Å; H248-H251 AromaticContact ND1-ND1 3.2Å; H248-H251 PolarHBondContact ND1-ND1 3.3Å; H248-H251 PolarHBondContact O-N 3.34Å; H248-F252 PolarHBondContact O-N 3.24Å; H248-F252 VanDerWaalsContact O-N 3.16Å | ||
| 249 | P | 90.9 | Very high | 91.8 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 28% | 0.279 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -35 | 178 | -27.3 | 35 | 0 | 0 | 0 | 113.9 | Q238 V240 | Q238-P249 HydrophobicContact CB-CG 3.9Å; V240-P249 HydrophobicContact CG2-CB 4.31Å; V240-P249 HydrophobicContact CG2-CG 4.34Å |
| 250 | E | 91.6 | Very high | 91.9 | Very high | 128 Ų | 128 | 61.3 Ų | 61.3 | 60% | 0.598 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.1 | 176.2 | 68.8 | -166.3 | 178.4 | 0 | 0 | 114.6 | H248 L253 | H248-E250 HydrophobicContact CB-CG 3.95Å; H248-E250 PolarHBondContact O-N 2.89Å; H248-E250 VanDerWaalsContact O-N 3.16Å; E250-L253 WeakPolarHBondContact O-CD2 3.36Å; E250-L253 WeakPolarHBondContact O-CG 3.42Å |
| 251 | H | 92.5 | Very high | 92 | Very high | 54 Ų | 54 | 60.6 Ų | 60.6 | 25% | 0.25 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | -12 | 178.9 | -70.3 | 167 | 0 | 0 | 0 | 113.3 | C228 C231 H248 L253 | C228-H251 PolarHBondContact SG-ND1 3.46Å; C231-H251 PolarHBondContact SG-CE1 2.93Å; C231-H251 PolarHBondContact SG-ND1 3.45Å; C231-H251 VanDerWaalsContact SG-ND1 3.44Å; H248-H251 HydrophobicContact CB-CB 4.18Å; H248-H251 AromaticContact CG-ND1 3.95Å; H248-H251 AromaticContact ND1-CE1 3.52Å; H248-H251 AromaticContact ND1-ND1 3.2Å; H248-H251 PolarHBondContact ND1-ND1 3.3Å; H248-H251 PolarHBondContact O-N 3.34Å; H251-L253 VanDerWaalsContact C-N 3.27Å; H251-L253 PolarHBondContact O-N 3.05Å |
| 252 | F | 94.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | trans | -83.6 | 76.5 | 173.5 | -163.7 | -113.6 | 0 | 0 | 0 | 109.6 | V240 A242 L243 W247 H248 L261 F266 P273 | V240-F252 HydrophobicContact CB-CB 4.31Å; V240-F252 HydrophobicContact CB-CG 4.41Å; V240-F252 HydrophobicContact CG1-CB 4.23Å; V240-F252 HydrophobicContact CG1-CD1 3.66Å; V240-F252 HydrophobicContact CG1-CD2 4.37Å; V240-F252 HydrophobicContact CG1-CE1 4.12Å; V240-F252 HydrophobicContact CG1-CG 3.82Å; V240-F252 HydrophobicContact CG2-CB 4.46Å; A242-F252 HydrophobicContact CB-CD2 4.36Å; A242-F252 HydrophobicContact CB-CE1 4.22Å; A242-F252 HydrophobicContact CB-CE2 3.52Å; A242-F252 HydrophobicContact CB-CZ 3.44Å; A242-F252 VanDerWaalsContact CB-CZ 3.44Å; L243-F252 HydrophobicContact CD1-CE2 4.07Å; L243-F252 HydrophobicContact CG-CE2 4.29Å; W247-F252 HydrophobicContact CB-CB 4.03Å; W247-F252 HydrophobicContact CB-CD2 4.27Å; W247-F252 AromaticContact CD1-CD2 3.8Å; W247-F252 AromaticContact CD2-CD2 3.9Å; W247-F252 HydrophobicContact CD2-CD2 3.9Å; W247-F252 HydrophobicContact CE3-CD2 4.49Å; W247-F252 HydrophobicContact CG-CB 4.41Å; W247-F252 AromaticContact CG-CD2 3.75Å; W247-F252 HydrophobicContact CG-CD2 3.75Å; W247-F252 HydrophobicContact CG-CG 4.46Å; H248-F252 PolarHBondContact O-N 3.24Å; H248-F252 VanDerWaalsContact O-N 3.16Å; F252-L261 HydrophobicContact CD1-CB 3.54Å; F252-L261 HydrophobicContact CE1-CB 3.68Å; F252-L261 HydrophobicContact CE1-CD1 4.31Å; F252-L261 PolarHBondContact O-N 3.25Å; F252-F266 AromaticContact CE1-CD1 3.66Å; F252-F266 HydrophobicContact CE1-CD1 3.66Å; F252-F266 HydrophobicContact CE1-CD2 4.33Å; F252-F266 AromaticContact CE1-CE1 3.75Å; F252-F266 HydrophobicContact CE1-CE1 3.75Å; F252-F266 HydrophobicContact CE1-CE2 4.42Å; F252-F266 AromaticContact CE1-CG 3.97Å; F252-F266 HydrophobicContact CE1-CG 3.97Å; F252-F266 HydrophobicContact CE1-CZ 4.16Å; F252-F266 AromaticContact CZ-CD1 4Å; F252-F266 HydrophobicContact CZ-CD1 4Å; F252-F266 AromaticContact CZ-CD2 3.92Å; F252-F266 HydrophobicContact CZ-CD2 3.92Å; F252-F266 AromaticContact CZ-CE1 3.85Å; F252-F266 HydrophobicContact CZ-CE1 3.85Å; F252-F266 AromaticContact CZ-CE2 3.78Å; F252-F266 HydrophobicContact CZ-CE2 3.78Å; F252-F266 HydrophobicContact CZ-CG 4.04Å; F252-F266 AromaticContact CZ-CZ 3.75Å; F252-F266 HydrophobicContact CZ-CZ 3.75Å; F252-P273 HydrophobicContact CD2-CG 4.25Å; F252-P273 HydrophobicContact CE1-CB 4.39Å; F252-P273 HydrophobicContact CE2-CB 3.78Å; F252-P273 HydrophobicContact CE2-CG 3.76Å; F252-P273 HydrophobicContact CZ-CB 3.63Å; F252-P273 HydrophobicContact CZ-CG 4.11Å | ||
| 253 | L | 94.4 | Very high | 90.9 | Very high | 63 Ų | 63 | 60.6 Ų | 60.6 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -105.7 | 142.9 | -173 | -57.7 | -176 | 0 | 0 | 0 | 112.1 | E250 H251 R255 S258 T259 T260 | E250-L253 WeakPolarHBondContact O-CD2 3.36Å; E250-L253 WeakPolarHBondContact O-CG 3.42Å; H251-L253 VanDerWaalsContact C-N 3.27Å; H251-L253 PolarHBondContact O-N 3.05Å; L253-R255 PolarHBondContact O-N 3.2Å; L253-S258 WeakPolarHBondContact CD2-O 3.37Å; L253-T259 CarbonylContact C-O 3.52Å; L253-T259 WeakPolarHBondContact CA-O 3.27Å; L253-T260 HydrophobicContact CD2-CG2 3.42Å; L253-T260 VanDerWaalsContact CD2-CG2 3.42Å |
| 254 | C | 95.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.007 | 38% | 0.377 | C | S | . | . | trans | -57.9 | 123.1 | 169.5 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | G256 C257 S258 T259 L261 P273 C275 | C254-G256 PolarHBondContact O-N 2.8Å; C254-G256 VanDerWaalsContact O-N 3.11Å; C254-G256 PolarHBondContact SG-N 3.15Å; C254-C257 VanDerWaalsContact CB-SG 3.6Å; C254-C257 PolarHBondContact O-N 3.17Å; C254-C257 PolarHBondContact SG-SG 3.24Å; C254-S258 VanDerWaalsContact O-CA 3.26Å; C254-S258 WeakPolarHBondContact O-CA 3.33Å; C254-S258 PolarHBondContact O-N 3.11Å; C254-T259 PolarHBondContact N-O 2.68Å; C254-L261 HydrophobicContact CB-CD1 4.02Å; C254-L261 HydrophobicContact CB-CD2 4.27Å; C254-L261 HydrophobicContact CB-CG 4.18Å; C254-P273 WeakPolarHBondContact CA-O 3.29Å; C254-C275 HydrophobicContact CB-CB 4.16Å; C254-C275 PolarHBondContact SG-N 3.27Å | ||
| 255 | R | 94.1 | Very high | 90.7 | Very high | 190 Ų | 190 | 61.8 Ų | 61.8 | 72% | 0.717 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -17.3 | 178.4 | -171.8 | 59.5 | 176.2 | -158 | 1.5 | 113.7 | L253 A272 P273 F274 | L253-R255 PolarHBondContact O-N 3.2Å; R255-A272 HydrophobicContact CB-CB 4.12Å; R255-A272 HydrophobicContact CG-CB 4.12Å; R255-P273 PolarHBondContact N-O 3.32Å; R255-F274 HydrophobicContact CB-CD1 4.34Å; R255-F274 HydrophobicContact CB-CE1 3.88Å; R255-F274 HydrophobicContact CB-CE2 4.23Å; R255-F274 HydrophobicContact CB-CZ 3.82Å; R255-F274 HydrophobicContact CG-CE1 4.34Å; R255-F274 HydrophobicContact CG-CZ 4.04Å |
| 256 | G | 92.4 | Very high | 90.9 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 23% | 0.227 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -41.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C254 R282 | C254-G256 PolarHBondContact O-N 2.8Å; C254-G256 VanDerWaalsContact O-N 3.11Å; C254-G256 PolarHBondContact SG-N 3.15Å; G256-R282 PolarHBondContact O-NH2 3.23Å |
| 257 | C | 95 | Very high | 90.9 | Very high | 56 Ų | 56 | 61.2 Ų | 61.2 | 38% | 0.378 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 2.8 | -171.4 | 66.1 | 0 | 0 | 0 | 0 | 114.9 | C254 T259 C275 | C254-C257 VanDerWaalsContact CB-SG 3.6Å; C254-C257 PolarHBondContact O-N 3.17Å; C254-C257 PolarHBondContact SG-SG 3.24Å; C257-T259 PolarHBondContact O-N 3.32Å; C257-T259 PolarHBondContact SG-OG1 3.24Å; C257-C275 VanDerWaalsContact SG-SG 3.69Å |
| 258 | S | 93.5 | Very high | 90.9 | Very high | 88 Ų | 88 | 65.2 Ų | 65.2 | 62% | 0.615 | 38% | 0.382 | S | S | * | . | trans | 59.1 | 13.3 | -179.6 | -55.6 | 0 | 0 | 0 | 0 | 116.1 | L253 C254 | L253-S258 WeakPolarHBondContact CD2-O 3.37Å; C254-S258 VanDerWaalsContact O-CA 3.26Å; C254-S258 WeakPolarHBondContact O-CA 3.33Å; C254-S258 PolarHBondContact O-N 3.11Å | ||
| 259 | T | 93.5 | Very high | 90.9 | Very high | 79 Ų | 79 | 67.4 Ų | 67.4 | 49% | 0.485 | 39% | 0.391 | S | S | . | . | trans | -71.8 | 140.9 | 173.9 | -48.8 | 0 | 0 | 0 | 0 | 111.1 | L253 C254 C257 L261 | L253-T259 CarbonylContact C-O 3.52Å; L253-T259 WeakPolarHBondContact CA-O 3.27Å; C254-T259 PolarHBondContact N-O 2.68Å; C257-T259 PolarHBondContact O-N 3.32Å; C257-T259 PolarHBondContact SG-OG1 3.24Å; T259-L261 PolarHBondContact O-N 2.84Å | ||
| 260 | T | 92.6 | Very high | 90.9 | Very high | 81 Ų | 81 | 72.2 Ų | 72.2 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -63.6 | 129.5 | 174.8 | 40.8 | 0 | 0 | 0 | 0 | 111.6 | L253 | L253-T260 HydrophobicContact CD2-CG2 3.42Å; L253-T260 VanDerWaalsContact CD2-CG2 3.42Å |
| 261 | L | 92.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | trans | -103.9 | -0.5 | -178.9 | -65.7 | 173 | 0 | 0 | 0 | 113.1 | F252 C254 T259 G263 S264 F266 P273 C275 | F252-L261 HydrophobicContact CD1-CB 3.54Å; F252-L261 HydrophobicContact CE1-CB 3.68Å; F252-L261 HydrophobicContact CE1-CD1 4.31Å; F252-L261 PolarHBondContact O-N 3.25Å; C254-L261 HydrophobicContact CB-CD1 4.02Å; C254-L261 HydrophobicContact CB-CD2 4.27Å; C254-L261 HydrophobicContact CB-CG 4.18Å; T259-L261 PolarHBondContact O-N 2.84Å; L261-G263 PolarHBondContact O-N 3.46Å; L261-S264 WeakPolarHBondContact CA-OG 3.31Å; L261-S264 PolarHBondContact O-N 3.21Å; L261-S264 PolarHBondContact O-OG 2.9Å; L261-F266 HydrophobicContact CB-CB 4.46Å; L261-F266 HydrophobicContact CD1-CB 3.8Å; L261-F266 HydrophobicContact CD2-CB 4.23Å; L261-F266 HydrophobicContact CG-CB 4.4Å; L261-P273 HydrophobicContact CD1-CB 3.77Å; L261-P273 HydrophobicContact CD1-CG 4.32Å; L261-C275 HydrophobicContact CD2-CB 3.77Å | ||
| 262 | G | 76.1 | Confident | 90.7 | Very high | 39 Ų | 39 | 67 Ų | 67 | 40% | 0.402 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -1.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 263 | G | 78.5 | Confident | 90.7 | Very high | 86 Ų | 86 | 67.5 Ų | 67.5 | 89% | 0.887 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -145.2 | 11.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L261 | L261-G263 PolarHBondContact O-N 3.46Š|
| 264 | S | 83 | Confident | 90.7 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 41% | 0.406 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -114.4 | 159.7 | -179.6 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | L261 | L261-S264 WeakPolarHBondContact CA-OG 3.31Å; L261-S264 PolarHBondContact O-N 3.21Å; L261-S264 PolarHBondContact O-OG 2.9Å |
| 265 | S | 89.3 | Confident | 90.7 | Very high | 85 Ų | 85 | 66 Ų | 66 | 59% | 0.594 | 40% | 0.404 | S | S | * | . | trans | -59.6 | 143 | 167.8 | 53.2 | 0 | 0 | 0 | 0 | 110.7 | P276 | S265-P276 WeakPolarHBondContact O-CD 3.45Š| ||
| 266 | F | 93 | Very high | 90.6 | Very high | 74 Ų | 74 | 58.8 Ų | 58.8 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | trans | -142.2 | 160.9 | 176 | 69.1 | -88.2 | 0 | 0 | 0 | 109.7 | A242 L243 F252 L261 P273 F274 | A242-F266 HydrophobicContact CB-CE1 4.34Å; A242-F266 HydrophobicContact CB-CE2 4.4Å; A242-F266 HydrophobicContact CB-CZ 3.72Å; L243-F266 HydrophobicContact CD2-CE2 4.18Å; F252-F266 AromaticContact CE1-CD1 3.66Å; F252-F266 HydrophobicContact CE1-CD1 3.66Å; F252-F266 HydrophobicContact CE1-CD2 4.33Å; F252-F266 AromaticContact CE1-CE1 3.75Å; F252-F266 HydrophobicContact CE1-CE1 3.75Å; F252-F266 HydrophobicContact CE1-CE2 4.42Å; F252-F266 AromaticContact CE1-CG 3.97Å; F252-F266 HydrophobicContact CE1-CG 3.97Å; F252-F266 HydrophobicContact CE1-CZ 4.16Å; F252-F266 AromaticContact CZ-CD1 4Å; F252-F266 HydrophobicContact CZ-CD1 4Å; F252-F266 AromaticContact CZ-CD2 3.92Å; F252-F266 HydrophobicContact CZ-CD2 3.92Å; F252-F266 AromaticContact CZ-CE1 3.85Å; F252-F266 HydrophobicContact CZ-CE1 3.85Å; F252-F266 AromaticContact CZ-CE2 3.78Å; F252-F266 HydrophobicContact CZ-CE2 3.78Å; F252-F266 HydrophobicContact CZ-CG 4.04Å; F252-F266 AromaticContact CZ-CZ 3.75Å; F252-F266 HydrophobicContact CZ-CZ 3.75Å; L261-F266 HydrophobicContact CB-CB 4.46Å; L261-F266 HydrophobicContact CD1-CB 3.8Å; L261-F266 HydrophobicContact CD2-CB 4.23Å; L261-F266 HydrophobicContact CG-CB 4.4Å; F266-P273 HydrophobicContact CD2-CB 4.11Å; F266-F274 CarbonylContact C-O 3.59Å; F266-F274 VanDerWaalsContact CA-O 3.28Å; F266-F274 WeakPolarHBondContact CA-O 3.23Å; F266-F274 WeakPolarHBondContact CB-O 3.24Å | ||
| 267 | F | 92.5 | Very high | 90.6 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 34% | 0.338 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 145 | 172.2 | -66.3 | -84.4 | 0 | 0 | 0 | 110.1 | P273 F274 P276 Y279 F280 | F267-P273 WeakPolarHBondContact O-CA 3.22Å; F267-F274 PolarHBondContact N-O 3.25Å; F267-F274 PolarHBondContact O-N 3.45Å; F267-P276 HydrophobicContact CD2-CB 4.43Å; F267-P276 HydrophobicContact CD2-CG 4.45Å; F267-P276 HydrophobicContact CE2-CB 3.91Å; F267-P276 HydrophobicContact CE2-CG 4.06Å; F267-Y279 HydrophobicContact CB-CD1 4.07Å; F267-Y279 HydrophobicContact CB-CD2 3.29Å; F267-Y279 HydrophobicContact CB-CE1 4.42Å; F267-Y279 HydrophobicContact CB-CE2 3.69Å; F267-Y279 HydrophobicContact CB-CG 3.51Å; F267-Y279 HydrophobicContact CD1-CD1 4.31Å; F267-Y279 HydrophobicContact CD1-CE1 4.29Å; F267-Y279 AromaticContact CD2-CD1 3.97Å; F267-Y279 HydrophobicContact CD2-CD1 3.97Å; F267-Y279 AromaticContact CD2-CG 3.87Å; F267-Y279 HydrophobicContact CD2-CG 3.87Å; F267-Y279 AromaticContact CG-CD1 3.86Å; F267-Y279 HydrophobicContact CG-CD1 3.86Å; F267-Y279 HydrophobicContact CG-CD2 4.02Å; F267-Y279 HydrophobicContact CG-CE1 4.24Å; F267-Y279 HydrophobicContact CG-CE2 4.37Å; F267-Y279 AromaticContact CG-CG 3.75Å; F267-Y279 HydrophobicContact CG-CG 3.75Å; F267-F280 HydrophobicContact CE2-CE2 4.27Å; F267-F280 HydrophobicContact CE2-CZ 4.13Å; F267-F280 HydrophobicContact CZ-CZ 4.06Å |
| 268 | E | 93.2 | Very high | 90.6 | Very high | 111 Ų | 111 | 60.9 Ų | 60.9 | 52% | 0.519 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.8 | 172.3 | 176.2 | 167 | -173.8 | 0 | 0 | 110.1 | L243 | L243-E268 HydrophobicContact CD2-CB 3.7Å; L243-E268 HydrophobicContact CD2-CG 3.55Å; L243-E268 VanDerWaalsContact CD2-OE2 3.27Å; L243-E268 WeakPolarHBondContact CD2-OE2 3.37Å |
| 269 | K | 91.9 | Very high | 90.7 | Very high | 76 Ų | 76 | 59.3 Ų | 59.3 | 33% | 0.33 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 128 | 167.8 | -169.6 | 72.6 | -179.3 | -170.5 | 0 | 109 | G271 A272 F274 Y279 F283 | K269-G271 PolarHBondContact O-N 3.46Å; K269-G271 VanDerWaalsContact O-N 3.15Å; K269-A272 PolarHBondContact N-O 2.64Å; K269-A272 PolarHBondContact O-N 2.82Å; K269-F274 HydrophobicContact CB-CD2 4.01Å; K269-F274 HydrophobicContact CB-CE2 3.87Å; K269-Y279 HydrophobicContact CB-CD2 4.47Å; K269-Y279 HydrophobicContact CB-CE2 4.1Å; K269-Y279 HydrophobicContact CD-CE2 4.42Å; K269-F283 HydrophobicContact CB-CD2 4.37Å; K269-F283 HydrophobicContact CB-CE2 3.91Å; K269-F283 HydrophobicContact CB-CZ 4.14Å; K269-F283 HydrophobicContact CD-CD1 4.5Å; K269-F283 HydrophobicContact CG-CD1 4.2Å; K269-F283 HydrophobicContact CG-CD2 4.16Å; K269-F283 HydrophobicContact CG-CE1 3.88Å; K269-F283 HydrophobicContact CG-CE2 3.85Å; K269-F283 HydrophobicContact CG-CG 4.34Å; K269-F283 HydrophobicContact CG-CZ 3.7Å |
| 270 | D | 90.7 | Very high | 90.6 | Very high | 144 Ų | 144 | 58.1 Ų | 58.1 | 77% | 0.77 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 38.1 | 177.2 | -46.9 | -34.3 | 0 | 0 | 0 | 113.3 | A272 | D270-A272 VanDerWaalsContact C-N 3.28Å; D270-A272 PolarHBondContact O-N 3.04Å |
| 271 | G | 88.9 | Confident | 90.6 | Very high | 50 Ų | 50 | 57.7 Ų | 57.7 | 52% | 0.515 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 11.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | K269 | K269-G271 PolarHBondContact O-N 3.46Å; K269-G271 VanDerWaalsContact O-N 3.15Å |
| 272 | A | 91.6 | Very high | 90.6 | Very high | 21 Ų | 21 | 64.5 Ų | 64.5 | 17% | 0.174 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 144.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R255 K269 D270 F274 | R255-A272 HydrophobicContact CB-CB 4.12Å; R255-A272 HydrophobicContact CG-CB 4.12Å; K269-A272 PolarHBondContact N-O 2.64Å; K269-A272 PolarHBondContact O-N 2.82Å; D270-A272 VanDerWaalsContact C-N 3.28Å; D270-A272 PolarHBondContact O-N 3.04Å; A272-F274 HydrophobicContact CB-CE2 3.99Å; A272-F274 WeakPolarHBondContact O-CD2 3.47Å |
| 273 | P | 93.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 66 Ų | 66 | 8% | 0.078 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 139.2 | 178.6 | 34.2 | -29.5 | 0 | 0 | 0 | 111.4 | L243 F252 C254 R255 L261 F266 F267 | L243-P273 HydrophobicContact CD1-CB 4Å; L243-P273 HydrophobicContact CD1-CG 3.91Å; F252-P273 HydrophobicContact CD2-CG 4.25Å; F252-P273 HydrophobicContact CE1-CB 4.39Å; F252-P273 HydrophobicContact CE2-CB 3.78Å; F252-P273 HydrophobicContact CE2-CG 3.76Å; F252-P273 HydrophobicContact CZ-CB 3.63Å; F252-P273 HydrophobicContact CZ-CG 4.11Å; C254-P273 WeakPolarHBondContact CA-O 3.29Å; R255-P273 PolarHBondContact N-O 3.32Å; L261-P273 HydrophobicContact CD1-CB 3.77Å; L261-P273 HydrophobicContact CD1-CG 4.32Å; F266-P273 HydrophobicContact CD2-CB 4.11Å; F267-P273 WeakPolarHBondContact O-CA 3.22Å |
| 274 | F | 95.1 | Very high | 92 | Very high | 13 Ų | 13 | 62.8 Ų | 62.8 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 142.5 | 176.1 | -68.8 | -95 | 0 | 0 | 0 | 110.6 | R255 F266 F267 K269 A272 C278 Y279 F283 | R255-F274 HydrophobicContact CB-CD1 4.34Å; R255-F274 HydrophobicContact CB-CE1 3.88Å; R255-F274 HydrophobicContact CB-CE2 4.23Å; R255-F274 HydrophobicContact CB-CZ 3.82Å; R255-F274 HydrophobicContact CG-CE1 4.34Å; R255-F274 HydrophobicContact CG-CZ 4.04Å; F266-F274 CarbonylContact C-O 3.59Å; F266-F274 VanDerWaalsContact CA-O 3.28Å; F266-F274 WeakPolarHBondContact CA-O 3.23Å; F266-F274 WeakPolarHBondContact CB-O 3.24Å; F267-F274 PolarHBondContact N-O 3.25Å; F267-F274 PolarHBondContact O-N 3.45Å; K269-F274 HydrophobicContact CB-CD2 4.01Å; K269-F274 HydrophobicContact CB-CE2 3.87Å; A272-F274 HydrophobicContact CB-CE2 3.99Å; A272-F274 WeakPolarHBondContact O-CD2 3.47Å; F274-C278 HydrophobicContact CD1-CB 4.24Å; F274-Y279 HydrophobicContact CB-CD2 4.4Å; F274-F283 HydrophobicContact CD1-CE2 4.09Å; F274-F283 AromaticContact CD2-CE2 3.99Å; F274-F283 HydrophobicContact CD2-CE2 3.99Å; F274-F283 AromaticContact CE1-CE2 3.94Å; F274-F283 HydrophobicContact CE1-CE2 3.94Å; F274-F283 HydrophobicContact CE1-CZ 4.12Å; F274-F283 AromaticContact CE2-CE2 3.85Å; F274-F283 HydrophobicContact CE2-CE2 3.85Å; F274-F283 HydrophobicContact CE2-CZ 4.01Å; F274-F283 HydrophobicContact CG-CE2 4.11Å; F274-F283 AromaticContact CZ-CE2 3.82Å; F274-F283 HydrophobicContact CZ-CE2 3.82Å; F274-F283 AromaticContact CZ-CZ 3.74Å; F274-F283 HydrophobicContact CZ-CZ 3.74Å |
| 275 | C | 94.3 | Very high | 92.6 | Very high | 21 Ų | 21 | 62.1 Ų | 62.1 | 14% | 0.142 | 32% | 0.322 | C | S | . | . | trans | -66.5 | 157.1 | 165 | 70.6 | 0 | 0 | 0 | 0 | 109.8 | C254 C257 L261 E277 C278 Y279 | C254-C275 HydrophobicContact CB-CB 4.16Å; C254-C275 PolarHBondContact SG-N 3.27Å; C257-C275 VanDerWaalsContact SG-SG 3.69Å; L261-C275 HydrophobicContact CD2-CB 3.77Å; C275-E277 VanDerWaalsContact C-N 3.3Å; C275-E277 PolarHBondContact O-N 2.91Å; C275-C278 PolarHBondContact O-N 2.99Å; C275-C278 VanDerWaalsContact SG-CB 3.59Å; C275-C278 PolarHBondContact SG-N 2.94Å; C275-C278 VanDerWaalsContact SG-N 3.43Å; C275-C278 VanDerWaalsContact SG-SG 3.64Å; C275-Y279 WeakPolarHBondContact O-CB 3.41Å; C275-Y279 PolarHBondContact O-N 2.78Å | ||
| 276 | P | 91.9 | Very high | 92.8 | Very high | 38 Ų | 38 | 63.1 Ų | 63.1 | 25% | 0.247 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -51.2 | -47.2 | -179.1 | -30 | 37.2 | 0 | 0 | 0 | 113.3 | S265 F267 C278 Y279 F280 | S265-P276 WeakPolarHBondContact O-CD 3.45Å; F267-P276 HydrophobicContact CD2-CB 4.43Å; F267-P276 HydrophobicContact CD2-CG 4.45Å; F267-P276 HydrophobicContact CE2-CB 3.91Å; F267-P276 HydrophobicContact CE2-CG 4.06Å; P276-C278 PolarHBondContact O-N 2.99Å; P276-Y279 PolarHBondContact O-N 3.47Å; P276-F280 HydrophobicContact CB-CD2 4.39Å; P276-F280 HydrophobicContact CB-CE2 4.08Å; P276-F280 WeakPolarHBondContact O-CD2 3.32Å; P276-F280 WeakPolarHBondContact O-CG 3.49Å; P276-F280 PolarHBondContact O-N 3.27Å |
| 277 | E | 93.5 | Very high | 93 | Very high | 100 Ų | 100 | 59.6 Ų | 59.6 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -48.2 | -178.1 | -164.9 | 64.4 | -164.8 | 0 | 0 | 112.6 | C275 Y279 E281 R295 | C275-E277 VanDerWaalsContact C-N 3.3Å; C275-E277 PolarHBondContact O-N 2.91Å; E277-Y279 VanDerWaalsContact C-N 3.32Å; E277-Y279 PolarHBondContact O-N 3.34Å; E277-E281 WeakPolarHBondContact O-CB 3.49Å; E277-E281 PolarHBondContact O-N 3.41Å; E277-R295 IonicContact OE1-CZ 3.43Å; E277-R295 IonicContact OE1-NH1 3.27Å; E277-R295 PolarHBondContact OE1-NH1 3Å; E277-R295 IonicContact OE1-NH2 2.7Å; E277-R295 PolarHBondContact OE1-NH2 3.2Å; E277-R295 IonicContact OE2-CZ 3.56Å; E277-R295 IonicContact OE2-NH1 2.74Å; E277-R295 PolarHBondContact OE2-NH1 3.34Å; E277-R295 IonicContact OE2-NH2 3.58Å |
| 278 | C | 94.7 | Very high | 92.9 | Very high | 21 Ų | 21 | 57.6 Ų | 57.6 | 14% | 0.142 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69 | -28.6 | 176.4 | -74.8 | 0 | 0 | 0 | 0 | 113.4 | F274 C275 P276 R282 | F274-C278 HydrophobicContact CD1-CB 4.24Å; C275-C278 PolarHBondContact O-N 2.99Å; C275-C278 VanDerWaalsContact SG-CB 3.59Å; C275-C278 PolarHBondContact SG-N 2.94Å; C275-C278 VanDerWaalsContact SG-N 3.43Å; C275-C278 VanDerWaalsContact SG-SG 3.64Å; P276-C278 PolarHBondContact O-N 2.99Å; C278-R282 WeakPolarHBondContact O-CB 3.23Å; C278-R282 WeakPolarHBondContact O-CG 3.19Å; C278-R282 PolarHBondContact O-N 3.25Å |
| 279 | Y | 93.9 | Very high | 92.9 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -69.4 | -51.5 | 176 | -177.3 | -91.3 | 0 | 0 | 0 | 110.5 | F267 K269 F274 C275 P276 E277 R282 F283 | F267-Y279 HydrophobicContact CB-CD1 4.07Å; F267-Y279 HydrophobicContact CB-CD2 3.29Å; F267-Y279 HydrophobicContact CB-CE1 4.42Å; F267-Y279 HydrophobicContact CB-CE2 3.69Å; F267-Y279 HydrophobicContact CB-CG 3.51Å; F267-Y279 HydrophobicContact CD1-CD1 4.31Å; F267-Y279 HydrophobicContact CD1-CE1 4.29Å; F267-Y279 AromaticContact CD2-CD1 3.97Å; F267-Y279 HydrophobicContact CD2-CD1 3.97Å; F267-Y279 AromaticContact CD2-CG 3.87Å; F267-Y279 HydrophobicContact CD2-CG 3.87Å; F267-Y279 AromaticContact CG-CD1 3.86Å; F267-Y279 HydrophobicContact CG-CD1 3.86Å; F267-Y279 HydrophobicContact CG-CD2 4.02Å; F267-Y279 HydrophobicContact CG-CE1 4.24Å; F267-Y279 HydrophobicContact CG-CE2 4.37Å; F267-Y279 AromaticContact CG-CG 3.75Å; F267-Y279 HydrophobicContact CG-CG 3.75Å; K269-Y279 HydrophobicContact CB-CD2 4.47Å; K269-Y279 HydrophobicContact CB-CE2 4.1Å; K269-Y279 HydrophobicContact CD-CE2 4.42Å; F274-Y279 HydrophobicContact CB-CD2 4.4Å; C275-Y279 WeakPolarHBondContact O-CB 3.41Å; C275-Y279 PolarHBondContact O-N 2.78Å; P276-Y279 PolarHBondContact O-N 3.47Å; E277-Y279 VanDerWaalsContact C-N 3.32Å; E277-Y279 PolarHBondContact O-N 3.34Å; Y279-R282 PolarHBondContact O-N 3.06Å; Y279-F283 AromaticContact CD2-CD2 3.56Å; Y279-F283 HydrophobicContact CD2-CD2 3.56Å; Y279-F283 HydrophobicContact CD2-CE2 4.13Å; Y279-F283 AromaticContact CE2-CD2 3.88Å; Y279-F283 HydrophobicContact CE2-CD2 3.88Å; Y279-F283 HydrophobicContact CG-CD2 4.06Å; Y279-F283 WeakPolarHBondContact O-CB 3.48Å; Y279-F283 WeakPolarHBondContact O-CD2 3.33Å; Y279-F283 PolarHBondContact O-N 3.47Å |
| 280 | F | 91.7 | Very high | 93 | Very high | 53 Ų | 53 | 57 Ų | 57 | 23% | 0.232 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 178.4 | -65.4 | -55.2 | 0 | 0 | 0 | 111.9 | F267 P276 R282 S284 R295 | F267-F280 HydrophobicContact CE2-CE2 4.27Å; F267-F280 HydrophobicContact CE2-CZ 4.13Å; F267-F280 HydrophobicContact CZ-CZ 4.06Å; P276-F280 HydrophobicContact CB-CD2 4.39Å; P276-F280 HydrophobicContact CB-CE2 4.08Å; P276-F280 WeakPolarHBondContact O-CD2 3.32Å; P276-F280 WeakPolarHBondContact O-CG 3.49Å; P276-F280 PolarHBondContact O-N 3.27Å; F280-R282 VanDerWaalsContact C-N 3.27Å; F280-R282 PolarHBondContact O-N 2.95Å; F280-S284 WeakPolarHBondContact O-CB 3.35Å; F280-S284 PolarHBondContact O-N 3.31Å; F280-S284 PolarHBondContact O-OG 3.04Å; F280-R295 HydrophobicContact CB-CG 4.41Å |
| 281 | E | 92.9 | Very high | 93.2 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.3 | -33.1 | -178.2 | -171.2 | 54.5 | -129.3 | 0 | 0 | 113.4 | E277 R286 P293 | E277-E281 WeakPolarHBondContact O-CB 3.49Å; E277-E281 PolarHBondContact O-N 3.41Å; E281-R286 PolarHBondContact O-NH2 2.9Å; E281-R286 IonicContact OE1-CZ 3.67Å; E281-R286 IonicContact OE1-NH1 2.68Å; E281-R286 IonicContact OE1-NH2 3.9Å; E281-R286 PolarHBondContact OE1-NH2 2.99Å; E281-P293 WeakPolarHBondContact OE2-CG 3.47Å |
| 282 | R | 92.2 | Very high | 93.5 | Very high | 148 Ų | 148 | 57.9 Ų | 57.9 | 56% | 0.558 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -94.5 | -29.5 | -176.5 | -65.8 | -175.6 | -179.6 | -155.8 | 3.5 | 114.4 | G256 C278 Y279 F280 | G256-R282 PolarHBondContact O-NH2 3.23Å; C278-R282 WeakPolarHBondContact O-CB 3.23Å; C278-R282 WeakPolarHBondContact O-CG 3.19Å; C278-R282 PolarHBondContact O-N 3.25Å; Y279-R282 PolarHBondContact O-N 3.06Å; F280-R282 VanDerWaalsContact C-N 3.27Å; F280-R282 PolarHBondContact O-N 2.95Å |
| 283 | F | 92.4 | Very high | 93.6 | Very high | 69 Ų | 69 | 57.2 Ų | 57.2 | 30% | 0.303 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -124.6 | -8.1 | -167.9 | -50.7 | -61.3 | 0 | 0 | 0 | 114.8 | K269 F274 Y279 | K269-F283 HydrophobicContact CB-CD2 4.37Å; K269-F283 HydrophobicContact CB-CE2 3.91Å; K269-F283 HydrophobicContact CB-CZ 4.14Å; K269-F283 HydrophobicContact CD-CD1 4.5Å; K269-F283 HydrophobicContact CG-CD1 4.2Å; K269-F283 HydrophobicContact CG-CD2 4.16Å; K269-F283 HydrophobicContact CG-CE1 3.88Å; K269-F283 HydrophobicContact CG-CE2 3.85Å; K269-F283 HydrophobicContact CG-CG 4.34Å; K269-F283 HydrophobicContact CG-CZ 3.7Å; F274-F283 HydrophobicContact CD1-CE2 4.09Å; F274-F283 AromaticContact CD2-CE2 3.99Å; F274-F283 HydrophobicContact CD2-CE2 3.99Å; F274-F283 AromaticContact CE1-CE2 3.94Å; F274-F283 HydrophobicContact CE1-CE2 3.94Å; F274-F283 HydrophobicContact CE1-CZ 4.12Å; F274-F283 AromaticContact CE2-CE2 3.85Å; F274-F283 HydrophobicContact CE2-CE2 3.85Å; F274-F283 HydrophobicContact CE2-CZ 4.01Å; F274-F283 HydrophobicContact CG-CE2 4.11Å; F274-F283 AromaticContact CZ-CE2 3.82Å; F274-F283 HydrophobicContact CZ-CE2 3.82Å; F274-F283 AromaticContact CZ-CZ 3.74Å; F274-F283 HydrophobicContact CZ-CZ 3.74Å; Y279-F283 AromaticContact CD2-CD2 3.56Å; Y279-F283 HydrophobicContact CD2-CD2 3.56Å; Y279-F283 HydrophobicContact CD2-CE2 4.13Å; Y279-F283 AromaticContact CE2-CD2 3.88Å; Y279-F283 HydrophobicContact CE2-CD2 3.88Å; Y279-F283 HydrophobicContact CG-CD2 4.06Å; Y279-F283 WeakPolarHBondContact O-CB 3.48Å; Y279-F283 WeakPolarHBondContact O-CD2 3.33Å; Y279-F283 PolarHBondContact O-N 3.47Å |
| 284 | S | 92.4 | Very high | 93.7 | Very high | 20 Ų | 20 | 57 Ų | 57 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -70.3 | 146.5 | 169.6 | -81.8 | 0 | 0 | 0 | 0 | 111.5 | F280 I294 | F280-S284 WeakPolarHBondContact O-CB 3.35Å; F280-S284 PolarHBondContact O-N 3.31Å; F280-S284 PolarHBondContact O-OG 3.04Å; S284-I294 VanDerWaalsContact CB-O 3.25Å; S284-I294 WeakPolarHBondContact CB-O 3.48Å; S284-I294 PolarHBondContact OG-O 3.44Å |
| 285 | P | 94.5 | Very high | 93.4 | Very high | 43 Ų | 43 | 61.1 Ų | 61.1 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -61 | 146.1 | 167.7 | 26.7 | -32.8 | 0 | 0 | 0 | 110.6 | I294 M298 H305 | P285-I294 PolarHBondContact O-N 2.88Å; P285-M298 HydrophobicContact CG-SD 3.72Å; P285-H305 HydrophobicContact CB-CB 3.92Å; P285-H305 WeakPolarHBondContact CB-CD2 3.35Å; P285-H305 HydrophobicContact CG-CB 4.46Å |
| 286 | R | 95.2 | Very high | 93 | Very high | 106 Ų | 106 | 68.7 Ų | 68.7 | 40% | 0.4 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -96.6 | 141.2 | 179.6 | -69.2 | -178.3 | 176.8 | -85.1 | -9.2 | 110.9 | E281 N291 Q292 | E281-R286 PolarHBondContact O-NH2 2.9Å; E281-R286 IonicContact OE1-CZ 3.67Å; E281-R286 IonicContact OE1-NH1 2.68Å; E281-R286 IonicContact OE1-NH2 3.9Å; E281-R286 PolarHBondContact OE1-NH2 2.99Å; R286-N291 WeakPolarHBondContact CD-O 3.49Å; R286-N291 PolarHBondContact NH1-O 3.47Å; R286-Q292 WeakPolarHBondContact CA-O 3.35Å |
| 287 | C | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 127.3 | 179.6 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | F289 C290 N291 Q292 I294 H305 H307 H310 | C287-F289 PolarHBondContact O-N 2.89Å; C287-C290 PolarHBondContact O-N 3.26Å; C287-N291 VanDerWaalsContact O-CA 3.24Å; C287-N291 WeakPolarHBondContact O-CA 3.29Å; C287-N291 PolarHBondContact O-N 3.26Å; C287-Q292 PolarHBondContact N-O 2.97Å; C287-I294 HydrophobicContact CB-CD1 4.14Å; C287-I294 HydrophobicContact CB-CG1 4Å; C287-H305 CarbonylContact C-O 3.56Å; C287-H305 VanDerWaalsContact CA-O 3.27Å; C287-H305 WeakPolarHBondContact CA-O 3.47Å; C287-H307 PolarHBondContact SG-N 3.37Å; C287-H310 PolarHBondContact SG-ND1 3.23Å |
| 288 | G | 91.6 | Very high | 93 | Very high | 35 Ų | 35 | 74.9 Ų | 74.9 | 36% | 0.361 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -16.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | H305 | G288-H305 PolarHBondContact N-O 3.06Š|
| 289 | F | 92.3 | Very high | 93 | Very high | 137 Ų | 137 | 76 Ų | 76 | 60% | 0.601 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -55 | 175.7 | -175.8 | -107.4 | 0 | 0 | 0 | 113 | C287 W306 H310 | C287-F289 PolarHBondContact O-N 2.89Å; F289-W306 HydrophobicContact CB-CE3 4.19Å; F289-W306 HydrophobicContact CB-CZ3 4.07Å; F289-H310 HydrophobicContact CB-CB 3.85Å; F289-H310 HydrophobicContact CD1-CB 4.14Å; F289-H310 AromaticContact CD1-CD2 3.71Å; F289-H310 AromaticContact CD1-CE1 3.97Å; F289-H310 AromaticContact CD1-CG 3.65Å; F289-H310 AromaticContact CD1-ND1 3.8Å; F289-H310 AromaticContact CD1-NE2 3.91Å; F289-H310 HydrophobicContact CG-CB 4.25Å |
| 290 | C | 94.5 | Very high | 93 | Very high | 37 Ų | 37 | 77.7 Ų | 77.7 | 25% | 0.25 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -3.9 | -172.2 | 69.7 | 0 | 0 | 0 | 0 | 115.2 | C287 Q292 H310 | C287-C290 PolarHBondContact O-N 3.26Å; C290-Q292 HydrophobicContact CB-CG 4.41Å; C290-Q292 PolarHBondContact O-N 3.08Å; C290-Q292 PolarHBondContact O-NE2 3.26Å; C290-H310 PolarHBondContact SG-CE1 3.37Å; C290-H310 PolarHBondContact SG-ND1 3.48Å |
| 291 | N | 94.1 | Very high | 93 | Very high | 108 Ų | 108 | 75.9 Ų | 75.9 | 58% | 0.578 | 37% | 0.37 | S | S | * | . | trans | 56.8 | 9.9 | -175.8 | -66.8 | -67.6 | 0 | 0 | 0 | 116.3 | R286 C287 | R286-N291 WeakPolarHBondContact CD-O 3.49Å; R286-N291 PolarHBondContact NH1-O 3.47Å; C287-N291 VanDerWaalsContact O-CA 3.24Å; C287-N291 WeakPolarHBondContact O-CA 3.29Å; C287-N291 PolarHBondContact O-N 3.26Å | ||
| 292 | Q | 94.8 | Very high | 93 | Very high | 105 Ų | 105 | 74.6 Ų | 74.6 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 152 | 174.8 | -58.7 | -52.8 | -49.4 | 0 | 0 | 111.8 | R286 C287 C290 | R286-Q292 WeakPolarHBondContact CA-O 3.35Å; C287-Q292 PolarHBondContact N-O 2.97Å; C290-Q292 HydrophobicContact CB-CG 4.41Å; C290-Q292 PolarHBondContact O-N 3.08Å; C290-Q292 PolarHBondContact O-NE2 3.26Å |
| 293 | P | 95.3 | Very high | 93 | Very high | 8 Ų | 8 | 71.7 Ų | 71.7 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -71.5 | 132.5 | 178 | -1.7 | 15.8 | 0 | 0 | 0 | 111.7 | E281 | E281-P293 WeakPolarHBondContact OE2-CG 3.47Å |
| 294 | I | 94.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 70.6 Ų | 70.6 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 119.2 | -179.4 | -54 | 160.6 | 0 | 0 | 0 | 109.1 | S284 P285 C287 K297 M298 H305 | S284-I294 VanDerWaalsContact CB-O 3.25Å; S284-I294 WeakPolarHBondContact CB-O 3.48Å; S284-I294 PolarHBondContact OG-O 3.44Å; P285-I294 PolarHBondContact O-N 2.88Å; C287-I294 HydrophobicContact CB-CD1 4.14Å; C287-I294 HydrophobicContact CB-CG1 4Å; I294-K297 WeakPolarHBondContact CG2-O 3.44Å; I294-M298 HydrophobicContact CB-CB 4.47Å; I294-M298 HydrophobicContact CD1-CB 4.02Å; I294-M298 HydrophobicContact CG2-CB 3.74Å; I294-H305 HydrophobicContact CD1-CB 3.57Å |
| 295 | R | 89.6 | Confident | 93.2 | Very high | 100 Ų | 100 | 72.5 Ų | 72.5 | 38% | 0.377 | 39% | 0.387 | S | S | . | . | trans | -94.6 | -23.3 | -173 | -61.3 | -175.2 | -177.2 | -144.8 | -5.9 | 115.1 | E277 F280 | E277-R295 IonicContact OE1-CZ 3.43Å; E277-R295 IonicContact OE1-NH1 3.27Å; E277-R295 PolarHBondContact OE1-NH1 3Å; E277-R295 IonicContact OE1-NH2 2.7Å; E277-R295 PolarHBondContact OE1-NH2 3.2Å; E277-R295 IonicContact OE2-CZ 3.56Å; E277-R295 IonicContact OE2-NH1 2.74Å; E277-R295 PolarHBondContact OE2-NH1 3.34Å; E277-R295 IonicContact OE2-NH2 3.58Å; F280-R295 HydrophobicContact CB-CG 4.41Å | ||
| 296 | H | 85.8 | Confident | 93.3 | Very high | 180 Ų | 180 | 71.5 Ų | 71.5 | 83% | 0.833 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -128.9 | -119.7 | -170.5 | -62.8 | 108.1 | 0 | 0 | 0 | 111 | ||
| 297 | K | 91.2 | Very high | 93.3 | Very high | 175 Ų | 175 | 67.9 Ų | 67.9 | 76% | 0.761 | 37% | 0.365 | S | S | * | . | trans | -67.8 | 136.4 | 173.3 | -62.2 | -178.9 | -179.6 | -179.1 | 0 | 109.2 | I294 P308 | I294-K297 WeakPolarHBondContact CG2-O 3.44Å; K297-P308 HydrophobicContact CB-CG 4.02Å; K297-P308 WeakPolarHBondContact O-CD 3.42Å | ||
| 298 | M | 93.4 | Very high | 93.2 | Very high | 93 Ų | 93 | 70.8 Ų | 70.8 | 46% | 0.458 | 38% | 0.384 | S | S | . | . | trans | -123.9 | 148.7 | 169.8 | 67.4 | -178.6 | -179.9 | 0 | 0 | 109.3 | P285 I294 H305 W306 | P285-M298 HydrophobicContact CG-SD 3.72Å; I294-M298 HydrophobicContact CB-CB 4.47Å; I294-M298 HydrophobicContact CD1-CB 4.02Å; I294-M298 HydrophobicContact CG2-CB 3.74Å; M298-H305 HydrophobicContact SD-CB 4.47Å; M298-W306 WeakPolarHBondContact CA-O 3.24Å | ||
| 299 | V | 94.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 75.7 Ų | 75.7 | 28% | 0.279 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.8 | 162.4 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | A301 H305 W306 P308 F311 | V299-A301 HydrophobicContact CG1-CB 4.27Å; V299-H305 CarbonylContact O-C 3.58Å; V299-H305 WeakPolarHBondContact O-CA 3.11Å; V299-W306 HydrophobicContact CB-CB 4.33Å; V299-W306 PolarHBondContact N-O 2.84Å; V299-W306 PolarHBondContact O-N 2.9Å; V299-P308 HydrophobicContact CG2-CB 4.46Å; V299-F311 HydrophobicContact CB-CB 4.28Å; V299-F311 HydrophobicContact CB-CG 4.46Å; V299-F311 HydrophobicContact CG1-CB 4.29Å; V299-F311 HydrophobicContact CG1-CD1 3.78Å; V299-F311 HydrophobicContact CG1-CE1 4.31Å; V299-F311 HydrophobicContact CG1-CG 3.94Å; V299-F311 HydrophobicContact CG2-CB 4.45Å |
| 300 | T | 94.6 | Very high | 93.4 | Very high | 91 Ų | 91 | 71.1 Ų | 71.1 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 112.6 | 173 | -59.5 | 0 | 0 | 0 | 0 | 108.1 | T304 H305 | T300-T304 WeakPolarHBondContact CA-O 3.25Å; T300-H305 PolarHBondContact OG1-ND1 3.38Å |
| 301 | A | 92.8 | Very high | 93.5 | Very high | 15 Ų | 15 | 70.3 Ų | 70.3 | 12% | 0.124 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 153.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V299 G303 T304 W306 F311 F325 | V299-A301 HydrophobicContact CG1-CB 4.27Å; A301-G303 PolarHBondContact O-N 2.93Å; A301-T304 PolarHBondContact N-O 3.26Å; A301-T304 CarbonylContact O-C 3.5Å; A301-T304 PolarHBondContact O-N 3.4Å; A301-W306 PolarHBondContact O-NE1 3.01Å; A301-F311 HydrophobicContact CB-CD2 4.2Å; A301-F311 HydrophobicContact CB-CE1 4.11Å; A301-F311 HydrophobicContact CB-CE2 3.48Å; A301-F311 VanDerWaalsContact CB-CE2 3.48Å; A301-F311 HydrophobicContact CB-CZ 3.43Å; A301-F311 VanDerWaalsContact CB-CZ 3.43Å; A301-F325 HydrophobicContact CB-CZ 4.4Å |
| 302 | L | 92.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 66.5 Ų | 66.5 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 34.6 | 178.4 | -51.1 | -176.6 | 0 | 0 | 0 | 113.7 | T304 W306 F311 F325 E327 G330 P332 | L302-T304 PolarHBondContact O-N 3.39Å; L302-W306 HydrophobicContact CB-CZ2 4.4Å; L302-W306 HydrophobicContact CD1-CZ2 4.18Å; L302-F311 HydrophobicContact CD1-CE2 4.36Å; L302-F311 HydrophobicContact CG-CE2 4.44Å; L302-F325 HydrophobicContact CD2-CE2 3.72Å; L302-F325 HydrophobicContact CD2-CZ 4.36Å; L302-F325 HydrophobicContact CG-CE2 4.36Å; L302-E327 HydrophobicContact CD2-CB 3.98Å; L302-E327 VanDerWaalsContact CD2-CD 3.42Å; L302-E327 HydrophobicContact CD2-CG 3.59Å; L302-E327 VanDerWaalsContact CD2-OE2 3.24Å; L302-E327 WeakPolarHBondContact CD2-OE2 3.42Å; L302-G330 WeakPolarHBondContact CD1-O 3.28Å; L302-P332 HydrophobicContact CD1-CB 3.96Å; L302-P332 HydrophobicContact CD1-CG 3.98Å |
| 303 | G | 91.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 61.5 Ų | 61.5 | 90% | 0.897 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 8.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A301 | A301-G303 PolarHBondContact O-N 2.93Š|
| 304 | T | 93.7 | Very high | 93.6 | Very high | 47 Ų | 47 | 64.5 Ų | 64.5 | 29% | 0.288 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | -179.9 | -178.6 | -166.2 | 0 | 0 | 0 | 0 | 111.9 | T300 A301 L302 W306 | T300-T304 WeakPolarHBondContact CA-O 3.25Å; A301-T304 PolarHBondContact N-O 3.26Å; A301-T304 CarbonylContact O-C 3.5Å; A301-T304 PolarHBondContact O-N 3.4Å; L302-T304 PolarHBondContact O-N 3.39Å; T304-W306 HydrophobicContact CG2-CD2 4.37Å; T304-W306 VanDerWaalsContact CG2-CE2 3.41Å; T304-W306 HydrophobicContact CG2-CH2 4.28Å; T304-W306 HydrophobicContact CG2-CZ2 3.35Å |
| 305 | H | 95.7 | Very high | 93.6 | Very high | 60 Ų | 60 | 67.2 Ų | 67.2 | 28% | 0.278 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 151 | -178 | -51.6 | -77.6 | 0 | 0 | 0 | 110.9 | P285 C287 G288 I294 M298 V299 T300 | P285-H305 HydrophobicContact CB-CB 3.92Å; P285-H305 WeakPolarHBondContact CB-CD2 3.35Å; P285-H305 HydrophobicContact CG-CB 4.46Å; C287-H305 CarbonylContact C-O 3.56Å; C287-H305 VanDerWaalsContact CA-O 3.27Å; C287-H305 WeakPolarHBondContact CA-O 3.47Å; G288-H305 PolarHBondContact N-O 3.06Å; I294-H305 HydrophobicContact CD1-CB 3.57Å; M298-H305 HydrophobicContact SD-CB 4.47Å; V299-H305 CarbonylContact O-C 3.58Å; V299-H305 WeakPolarHBondContact O-CA 3.11Å; T300-H305 PolarHBondContact OG1-ND1 3.38Å |
| 306 | W | 95.9 | Very high | 94 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148.1 | -175.5 | -49.1 | 83.2 | 0 | 0 | 0 | 110.9 | F289 M298 V299 A301 L302 T304 F311 | F289-W306 HydrophobicContact CB-CE3 4.19Å; F289-W306 HydrophobicContact CB-CZ3 4.07Å; M298-W306 WeakPolarHBondContact CA-O 3.24Å; V299-W306 HydrophobicContact CB-CB 4.33Å; V299-W306 PolarHBondContact N-O 2.84Å; V299-W306 PolarHBondContact O-N 2.9Å; A301-W306 PolarHBondContact O-NE1 3.01Å; L302-W306 HydrophobicContact CB-CZ2 4.4Å; L302-W306 HydrophobicContact CD1-CZ2 4.18Å; T304-W306 HydrophobicContact CG2-CD2 4.37Å; T304-W306 VanDerWaalsContact CG2-CE2 3.41Å; T304-W306 HydrophobicContact CG2-CH2 4.28Å; T304-W306 HydrophobicContact CG2-CZ2 3.35Å; W306-F311 HydrophobicContact CB-CB 3.89Å; W306-F311 HydrophobicContact CB-CD2 4.35Å; W306-F311 HydrophobicContact CB-CG 4.49Å; W306-F311 AromaticContact CD1-CD2 3.68Å; W306-F311 AromaticContact CD2-CD2 3.77Å; W306-F311 HydrophobicContact CD2-CD2 3.77Å; W306-F311 AromaticContact CE2-CD2 3.87Å; W306-F311 HydrophobicContact CE3-CD2 4.42Å; W306-F311 HydrophobicContact CG-CB 4.17Å; W306-F311 AromaticContact CG-CD2 3.69Å; W306-F311 HydrophobicContact CG-CD2 3.69Å; W306-F311 HydrophobicContact CG-CG 4.29Å; W306-F311 AromaticContact NE1-CD2 3.8Å; W306-F311 AromaticContact NE1-CE2 3.99Å |
| 307 | H | 95.5 | Very high | 94.4 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | trans | -64.2 | 144.5 | 157 | -64.6 | 128.5 | 0 | 0 | 0 | 108.7 | C287 E309 H310 F311 | C287-H307 PolarHBondContact SG-N 3.37Å; H307-E309 HydrophobicContact CB-CG 4.19Å; H307-E309 PolarHBondContact O-N 3.37Å; H307-H310 HydrophobicContact CB-CB 4.14Å; H307-H310 AromaticContact CG-ND1 3.93Å; H307-H310 AromaticContact ND1-CE1 3.55Å; H307-H310 AromaticContact ND1-ND1 3.27Å; H307-H310 PolarHBondContact ND1-ND1 3.49Å; H307-H310 PolarHBondContact O-N 3.19Å; H307-F311 PolarHBondContact O-N 2.79Å | ||
| 308 | P | 93.6 | Very high | 94.6 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -53.9 | -39.3 | 177.1 | -26.9 | 35.7 | 0 | 0 | 0 | 113 | K297 V299 H310 | K297-P308 HydrophobicContact CB-CG 4.02Å; K297-P308 WeakPolarHBondContact O-CD 3.42Å; V299-P308 HydrophobicContact CG2-CB 4.46Å; P308-H310 VanDerWaalsContact C-N 3.29Å; P308-H310 PolarHBondContact O-N 2.66Å |
| 309 | E | 93.8 | Very high | 94.6 | Very high | 137 Ų | 137 | 55.2 Ų | 55.2 | 64% | 0.64 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -70.6 | -17.3 | 175.4 | 66.5 | -108.3 | -167.2 | 0 | 0 | 115.1 | H307 | H307-E309 HydrophobicContact CB-CG 4.19Å; H307-E309 PolarHBondContact O-N 3.37Å |
| 310 | H | 94.8 | Very high | 94.7 | Very high | 42 Ų | 42 | 54.8 Ų | 54.8 | 19% | 0.194 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -99.5 | -7.2 | -179.1 | -67.8 | 168.1 | 0 | 0 | 0 | 113.3 | C287 F289 C290 H307 P308 C312 | C287-H310 PolarHBondContact SG-ND1 3.23Å; F289-H310 HydrophobicContact CB-CB 3.85Å; F289-H310 HydrophobicContact CD1-CB 4.14Å; F289-H310 AromaticContact CD1-CD2 3.71Å; F289-H310 AromaticContact CD1-CE1 3.97Å; F289-H310 AromaticContact CD1-CG 3.65Å; F289-H310 AromaticContact CD1-ND1 3.8Å; F289-H310 AromaticContact CD1-NE2 3.91Å; F289-H310 HydrophobicContact CG-CB 4.25Å; C290-H310 PolarHBondContact SG-CE1 3.37Å; C290-H310 PolarHBondContact SG-ND1 3.48Å; H307-H310 HydrophobicContact CB-CB 4.14Å; H307-H310 AromaticContact CG-ND1 3.93Å; H307-H310 AromaticContact ND1-CE1 3.55Å; H307-H310 AromaticContact ND1-ND1 3.27Å; H307-H310 PolarHBondContact ND1-ND1 3.49Å; H307-H310 PolarHBondContact O-N 3.19Å; P308-H310 VanDerWaalsContact C-N 3.29Å; P308-H310 PolarHBondContact O-N 2.66Å; H310-C312 VanDerWaalsContact C-N 3.3Å; H310-C312 PolarHBondContact O-N 3.49Å |
| 311 | F | 95.4 | Very high | 94.5 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 9% | 0.088 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -92.3 | 70.2 | 172.4 | -164.6 | -109.6 | 0 | 0 | 0 | 110 | V299 A301 L302 W306 H307 F320 F325 P332 | V299-F311 HydrophobicContact CB-CB 4.28Å; V299-F311 HydrophobicContact CB-CG 4.46Å; V299-F311 HydrophobicContact CG1-CB 4.29Å; V299-F311 HydrophobicContact CG1-CD1 3.78Å; V299-F311 HydrophobicContact CG1-CE1 4.31Å; V299-F311 HydrophobicContact CG1-CG 3.94Å; V299-F311 HydrophobicContact CG2-CB 4.45Å; A301-F311 HydrophobicContact CB-CD2 4.2Å; A301-F311 HydrophobicContact CB-CE1 4.11Å; A301-F311 HydrophobicContact CB-CE2 3.48Å; A301-F311 VanDerWaalsContact CB-CE2 3.48Å; A301-F311 HydrophobicContact CB-CZ 3.43Å; A301-F311 VanDerWaalsContact CB-CZ 3.43Å; L302-F311 HydrophobicContact CD1-CE2 4.36Å; L302-F311 HydrophobicContact CG-CE2 4.44Å; W306-F311 HydrophobicContact CB-CB 3.89Å; W306-F311 HydrophobicContact CB-CD2 4.35Å; W306-F311 HydrophobicContact CB-CG 4.49Å; W306-F311 AromaticContact CD1-CD2 3.68Å; W306-F311 AromaticContact CD2-CD2 3.77Å; W306-F311 HydrophobicContact CD2-CD2 3.77Å; W306-F311 AromaticContact CE2-CD2 3.87Å; W306-F311 HydrophobicContact CE3-CD2 4.42Å; W306-F311 HydrophobicContact CG-CB 4.17Å; W306-F311 AromaticContact CG-CD2 3.69Å; W306-F311 HydrophobicContact CG-CD2 3.69Å; W306-F311 HydrophobicContact CG-CG 4.29Å; W306-F311 AromaticContact NE1-CD2 3.8Å; W306-F311 AromaticContact NE1-CE2 3.99Å; H307-F311 PolarHBondContact O-N 2.79Å; F311-F320 AromaticContact CD1-CD2 3.59Å; F311-F320 HydrophobicContact CD1-CD2 3.59Å; F311-F320 AromaticContact CD1-CE2 3.78Å; F311-F320 HydrophobicContact CD1-CE2 3.78Å; F311-F320 HydrophobicContact CD2-CE2 4.48Å; F311-F320 AromaticContact CE1-CD2 3.53Å; F311-F320 HydrophobicContact CE1-CD2 3.53Å; F311-F320 AromaticContact CE1-CE2 3.67Å; F311-F320 HydrophobicContact CE1-CE2 3.67Å; F311-F320 HydrophobicContact CE2-CE2 4.38Å; F311-F320 HydrophobicContact CG-CD2 4.39Å; F311-F320 HydrophobicContact CG-CE2 4.19Å; F311-F320 HydrophobicContact CZ-CD2 4.27Å; F311-F320 AromaticContact CZ-CE2 3.98Å; F311-F320 HydrophobicContact CZ-CE2 3.98Å; F311-F320 WeakPolarHBondContact O-CD2 3Å; F311-F320 VanDerWaalsContact O-CE2 3.32Å; F311-F320 WeakPolarHBondContact O-CE2 3.28Å; F311-F325 AromaticContact CE1-CD1 3.55Å; F311-F325 HydrophobicContact CE1-CD1 3.55Å; F311-F325 AromaticContact CE1-CE1 3.74Å; F311-F325 HydrophobicContact CE1-CE1 3.74Å; F311-F325 HydrophobicContact CE1-CG 4.14Å; F311-F325 HydrophobicContact CE1-CZ 4.47Å; F311-F325 AromaticContact CZ-CD1 3.56Å; F311-F325 HydrophobicContact CZ-CD1 3.56Å; F311-F325 HydrophobicContact CZ-CD2 4.1Å; F311-F325 AromaticContact CZ-CE1 3.54Å; F311-F325 HydrophobicContact CZ-CE1 3.54Å; F311-F325 HydrophobicContact CZ-CE2 4.1Å; F311-F325 AromaticContact CZ-CG 3.85Å; F311-F325 HydrophobicContact CZ-CG 3.85Å; F311-F325 AromaticContact CZ-CZ 3.83Å; F311-F325 HydrophobicContact CZ-CZ 3.83Å; F311-P332 HydrophobicContact CD2-CG 4.39Å; F311-P332 HydrophobicContact CE2-CB 4.01Å; F311-P332 HydrophobicContact CE2-CG 3.95Å; F311-P332 HydrophobicContact CZ-CB 4.18Å |
| 312 | C | 95.9 | Very high | 94.4 | Very high | 27 Ų | 27 | 62.6 Ų | 62.6 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -127.9 | 171.1 | -178.3 | 62.2 | 0 | 0 | 0 | 0 | 111 | H310 V314 G317 E318 F320 | H310-C312 VanDerWaalsContact C-N 3.3Å; H310-C312 PolarHBondContact O-N 3.49Å; C312-V314 PolarHBondContact O-N 3.46Å; C312-G317 VanDerWaalsContact CB-O 3.29Å; C312-G317 WeakPolarHBondContact CB-O 3.3Å; C312-E318 WeakPolarHBondContact CA-O 3.27Å; C312-E318 WeakPolarHBondContact CB-O 3.35Å; C312-F320 WeakPolarHBondContact O-CZ 3.44Å |
| 313 | C | 96.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | trans | -63.4 | 123.6 | 179.2 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | S315 C316 G317 E318 F320 C334 | C313-S315 PolarHBondContact O-N 3.03Å; C313-S315 VanDerWaalsContact O-N 3.11Å; C313-S315 PolarHBondContact SG-N 3.33Å; C313-C316 WeakPolarHBondContact CB-SG 3.4Å; C313-G317 VanDerWaalsContact O-CA 3.23Å; C313-G317 WeakPolarHBondContact O-CA 3.22Å; C313-G317 PolarHBondContact O-N 2.75Å; C313-E318 PolarHBondContact N-O 3.35Å; C313-F320 HydrophobicContact CB-CE1 3.95Å; C313-F320 HydrophobicContact CB-CZ 4.35Å; C313-F320 VanDerWaalsContact N-CZ 3.26Å; C313-C334 HydrophobicContact CB-CB 3.99Å; C313-C334 PolarHBondContact SG-N 3.12Å | ||
| 314 | V | 94.9 | Very high | 94.2 | Very high | 70 Ų | 70 | 63.8 Ų | 63.8 | 42% | 0.424 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -13.7 | -179.1 | -171.5 | 0 | 0 | 0 | 0 | 112.9 | C312 R331 P332 | C312-V314 PolarHBondContact O-N 3.46Å; V314-R331 VanDerWaalsContact CG1-NH2 3.29Å; V314-R331 HydrophobicContact CG2-CB 4.41Å; V314-P332 HydrophobicContact CG2-CG 4.17Å; V314-P332 WeakPolarHBondContact CG2-O 3.19Å; V314-P332 PolarHBondContact N-O 2.75Å |
| 315 | S | 94.8 | Very high | 94.3 | Very high | 63 Ų | 63 | 65.2 Ų | 65.2 | 44% | 0.441 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -55.4 | 178.1 | 165.7 | 0 | 0 | 0 | 0 | 112.6 | C313 D337 | C313-S315 PolarHBondContact O-N 3.03Å; C313-S315 VanDerWaalsContact O-N 3.11Å; C313-S315 PolarHBondContact SG-N 3.33Å; S315-D337 WeakPolarHBondContact CB-OD2 3.31Å; S315-D337 PolarHBondContact OG-OD2 3.38Å |
| 316 | C | 96.2 | Very high | 94.3 | Very high | 43 Ų | 43 | 65.5 Ų | 65.5 | 29% | 0.291 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -12.7 | -178.4 | 62.3 | 0 | 0 | 0 | 0 | 115.7 | C313 E318 D337 | C313-C316 WeakPolarHBondContact CB-SG 3.4Å; C316-E318 HydrophobicContact CB-CG 4.35Å; C316-E318 PolarHBondContact O-N 3.11Å; C316-D337 VanDerWaalsContact CB-OD2 3.23Å; C316-D337 WeakPolarHBondContact CB-OD2 3.27Å; C316-D337 PolarHBondContact N-OD2 3.39Å; C316-D337 PolarHBondContact SG-OD2 2.9Å |
| 317 | G | 94.5 | Very high | 94.2 | Very high | 46 Ų | 46 | 69.6 Ų | 69.6 | 47% | 0.474 | 39% | 0.391 | S | S | . | . | trans | 78.9 | -7.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | C312 C313 | C312-G317 VanDerWaalsContact CB-O 3.29Å; C312-G317 WeakPolarHBondContact CB-O 3.3Å; C313-G317 VanDerWaalsContact O-CA 3.23Å; C313-G317 WeakPolarHBondContact O-CA 3.22Å; C313-G317 PolarHBondContact O-N 2.75Å | ||
| 318 | E | 95.4 | Very high | 94.2 | Very high | 116 Ų | 116 | 73.6 Ų | 73.6 | 54% | 0.542 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -70 | 141.1 | -178.1 | -64.9 | -62 | 152.3 | 0 | 0 | 112.6 | C312 C313 C316 | C312-E318 WeakPolarHBondContact CA-O 3.27Å; C312-E318 WeakPolarHBondContact CB-O 3.35Å; C313-E318 PolarHBondContact N-O 3.35Å; C316-E318 HydrophobicContact CB-CG 4.35Å; C316-E318 PolarHBondContact O-N 3.11Å |
| 319 | P | 94.4 | Very high | 94.1 | Very high | 92 Ų | 92 | 77.7 Ų | 77.7 | 60% | 0.597 | 42% | 0.419 | S | S | * | . | B | Isolated β-bridge | trans | -66.3 | 155.1 | 173.6 | 30.6 | -35.3 | 0 | 0 | 0 | 111.3 | ||
| 320 | F | 95 | Very high | 94 | Very high | 37 Ų | 37 | 73 Ų | 73 | 16% | 0.162 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 128 | 178.4 | -57 | -58.4 | 0 | 0 | 0 | 111.5 | F311 C312 C313 G324 F325 P332 C334 | F311-F320 AromaticContact CD1-CD2 3.59Å; F311-F320 HydrophobicContact CD1-CD2 3.59Å; F311-F320 AromaticContact CD1-CE2 3.78Å; F311-F320 HydrophobicContact CD1-CE2 3.78Å; F311-F320 HydrophobicContact CD2-CE2 4.48Å; F311-F320 AromaticContact CE1-CD2 3.53Å; F311-F320 HydrophobicContact CE1-CD2 3.53Å; F311-F320 AromaticContact CE1-CE2 3.67Å; F311-F320 HydrophobicContact CE1-CE2 3.67Å; F311-F320 HydrophobicContact CE2-CE2 4.38Å; F311-F320 HydrophobicContact CG-CD2 4.39Å; F311-F320 HydrophobicContact CG-CE2 4.19Å; F311-F320 HydrophobicContact CZ-CD2 4.27Å; F311-F320 AromaticContact CZ-CE2 3.98Å; F311-F320 HydrophobicContact CZ-CE2 3.98Å; F311-F320 WeakPolarHBondContact O-CD2 3Å; F311-F320 VanDerWaalsContact O-CE2 3.32Å; F311-F320 WeakPolarHBondContact O-CE2 3.28Å; C312-F320 WeakPolarHBondContact O-CZ 3.44Å; C313-F320 HydrophobicContact CB-CE1 3.95Å; C313-F320 HydrophobicContact CB-CZ 4.35Å; C313-F320 VanDerWaalsContact N-CZ 3.26Å; F320-G324 WeakPolarHBondContact CB-O 3.33Å; F320-G324 WeakPolarHBondContact CD1-O 3.21Å; F320-F325 HydrophobicContact CD1-CB 3.57Å; F320-F325 HydrophobicContact CD2-CB 3.84Å; F320-F325 HydrophobicContact CD2-CD1 4.5Å; F320-F325 HydrophobicContact CD2-CG 4.46Å; F320-F325 HydrophobicContact CE1-CB 3.58Å; F320-F325 HydrophobicContact CE2-CB 3.81Å; F320-F325 HydrophobicContact CE2-CG 4.41Å; F320-F325 HydrophobicContact CG-CB 3.72Å; F320-F325 HydrophobicContact CZ-CB 3.7Å; F320-P332 HydrophobicContact CE2-CB 3.88Å; F320-P332 HydrophobicContact CE2-CG 4.26Å; F320-P332 HydrophobicContact CZ-CB 3.6Å; F320-P332 HydrophobicContact CZ-CG 4.12Å; F320-C334 HydrophobicContact CD1-CB 4.44Å; F320-C334 HydrophobicContact CE1-CB 4.34Å |
| 321 | G | 90.3 | Very high | 93.9 | Very high | 58 Ų | 58 | 76.6 Ų | 76.6 | 60% | 0.598 | 42% | 0.419 | S | S | * | . | trans | -83.9 | -160.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E323 G324 | G321-E323 PolarHBondContact O-N 3.27Å; G321-G324 PolarHBondContact O-N 2.94Å | ||
| 322 | E | 90.7 | Very high | 93.9 | Very high | 211 Ų | 211 | 75.8 Ų | 75.8 | 99% | 0.986 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -25.2 | -178.9 | -61.4 | -179.7 | 179 | 0 | 0 | 113.7 | G324 | E322-G324 PolarHBondContact O-N 3.05Š|
| 323 | E | 89.2 | Confident | 93.9 | Very high | 127 Ų | 127 | 75 Ų | 75 | 59% | 0.593 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.2 | 172.1 | -58.4 | -165.2 | 133 | 0 | 0 | 113.7 | G321 R335 | G321-E323 PolarHBondContact O-N 3.27Å; E323-R335 VanDerWaalsContact CD-CD 3.48Å; E323-R335 VanDerWaalsContact OE1-CD 3.29Å; E323-R335 WeakPolarHBondContact OE1-CD 3.42Å; E323-R335 IonicContact OE1-CZ 3.64Å; E323-R335 IonicContact OE1-NE 3.7Å; E323-R335 IonicContact OE1-NH1 3.06Å; E323-R335 PolarHBondContact OE1-NH1 3.05Å; E323-R335 WeakPolarHBondContact OE2-CB 3.49Å; E323-R335 WeakPolarHBondContact OE2-CD 3.45Å |
| 324 | G | 92.3 | Very high | 93.9 | Very high | 29 Ų | 29 | 75.9 Ų | 75.9 | 30% | 0.299 | 42% | 0.415 | S | S | . | . | trans | 72.3 | -143.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | F320 G321 E322 | F320-G324 WeakPolarHBondContact CB-O 3.33Å; F320-G324 WeakPolarHBondContact CD1-O 3.21Å; G321-G324 PolarHBondContact O-N 2.94Å; E322-G324 PolarHBondContact O-N 3.05Å | ||
| 325 | F | 95.1 | Very high | 93.8 | Very high | 78 Ų | 78 | 78.4 Ų | 78.4 | 34% | 0.342 | 42% | 0.417 | S | S | . | . | trans | -135.6 | 156.2 | -175.9 | 68.2 | -85.3 | 0 | 0 | 0 | 111.1 | A301 L302 F311 F320 P332 Y333 | A301-F325 HydrophobicContact CB-CZ 4.4Å; L302-F325 HydrophobicContact CD2-CE2 3.72Å; L302-F325 HydrophobicContact CD2-CZ 4.36Å; L302-F325 HydrophobicContact CG-CE2 4.36Å; F311-F325 AromaticContact CE1-CD1 3.55Å; F311-F325 HydrophobicContact CE1-CD1 3.55Å; F311-F325 AromaticContact CE1-CE1 3.74Å; F311-F325 HydrophobicContact CE1-CE1 3.74Å; F311-F325 HydrophobicContact CE1-CG 4.14Å; F311-F325 HydrophobicContact CE1-CZ 4.47Å; F311-F325 AromaticContact CZ-CD1 3.56Å; F311-F325 HydrophobicContact CZ-CD1 3.56Å; F311-F325 HydrophobicContact CZ-CD2 4.1Å; F311-F325 AromaticContact CZ-CE1 3.54Å; F311-F325 HydrophobicContact CZ-CE1 3.54Å; F311-F325 HydrophobicContact CZ-CE2 4.1Å; F311-F325 AromaticContact CZ-CG 3.85Å; F311-F325 HydrophobicContact CZ-CG 3.85Å; F311-F325 AromaticContact CZ-CZ 3.83Å; F311-F325 HydrophobicContact CZ-CZ 3.83Å; F320-F325 HydrophobicContact CD1-CB 3.57Å; F320-F325 HydrophobicContact CD2-CB 3.84Å; F320-F325 HydrophobicContact CD2-CD1 4.5Å; F320-F325 HydrophobicContact CD2-CG 4.46Å; F320-F325 HydrophobicContact CE1-CB 3.58Å; F320-F325 HydrophobicContact CE2-CB 3.81Å; F320-F325 HydrophobicContact CE2-CG 4.41Å; F320-F325 HydrophobicContact CG-CB 3.72Å; F320-F325 HydrophobicContact CZ-CB 3.7Å; F325-P332 HydrophobicContact CB-CB 4.36Å; F325-P332 HydrophobicContact CD2-CB 3.95Å; F325-P332 HydrophobicContact CG-CB 4.34Å; F325-Y333 WeakPolarHBondContact CA-O 3.48Å | ||
| 326 | H | 95.3 | Very high | 93.8 | Very high | 66 Ų | 66 | 83.2 Ų | 83.2 | 31% | 0.306 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 139.5 | 168.3 | -64.1 | -95.3 | 0 | 0 | 0 | 110.1 | P332 Y333 F338 | H326-P332 CarbonylContact O-C 3.52Å; H326-P332 WeakPolarHBondContact O-CA 3.46Å; H326-Y333 PolarHBondContact N-O 3.48Å; H326-Y333 PolarHBondContact O-N 3.31Å; H326-F338 HydrophobicContact CB-CB 3.85Å; H326-F338 HydrophobicContact CB-CD1 3.91Å; H326-F338 HydrophobicContact CB-CD2 3.3Å; H326-F338 HydrophobicContact CB-CE1 4.29Å; H326-F338 HydrophobicContact CB-CE2 3.72Å; H326-F338 HydrophobicContact CB-CG 3.4Å; H326-F338 VanDerWaalsContact CB-CG 3.4Å; H326-F338 HydrophobicContact CB-CZ 4.2Å; H326-F338 AromaticContact CG-CD1 3.86Å; H326-F338 AromaticContact CG-CG 3.78Å; H326-F338 AromaticContact ND1-CD1 3.97Å |
| 327 | E | 95 | Very high | 93.8 | Very high | 108 Ų | 108 | 81.8 Ų | 81.8 | 51% | 0.505 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.5 | 175.7 | -172 | -172 | 160.9 | 0 | 0 | 111.2 | L302 G330 | L302-E327 HydrophobicContact CD2-CB 3.98Å; L302-E327 VanDerWaalsContact CD2-CD 3.42Å; L302-E327 HydrophobicContact CD2-CG 3.59Å; L302-E327 VanDerWaalsContact CD2-OE2 3.24Å; L302-E327 WeakPolarHBondContact CD2-OE2 3.42Å; E327-G330 WeakPolarHBondContact OE1-CA 3.43Å; E327-G330 PolarHBondContact OE1-N 3.46Å |
| 328 | R | 94 | Very high | 93.8 | Very high | 114 Ų | 114 | 81.7 Ų | 81.7 | 43% | 0.43 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 123.2 | 158.9 | -172.4 | 70.9 | -178.2 | -148.9 | -2.4 | 109 | G330 R331 Y333 F338 F342 | R328-G330 VanDerWaalsContact C-N 3.33Å; R328-G330 PolarHBondContact O-N 2.83Å; R328-R331 PolarHBondContact N-O 3.34Å; R328-R331 WeakPolarHBondContact O-CB 3.19Å; R328-R331 PolarHBondContact O-N 3.04Å; R328-Y333 HydrophobicContact CB-CD2 4.19Å; R328-Y333 HydrophobicContact CB-CE2 3.78Å; R328-F338 HydrophobicContact CB-CE2 4.19Å; R328-F342 HydrophobicContact CB-CD2 4.37Å; R328-F342 HydrophobicContact CB-CE2 3.87Å; R328-F342 HydrophobicContact CB-CZ 4Å; R328-F342 HydrophobicContact CG-CD1 4.35Å; R328-F342 HydrophobicContact CG-CD2 4.47Å; R328-F342 HydrophobicContact CG-CE1 3.99Å; R328-F342 HydrophobicContact CG-CE2 4.13Å; R328-F342 HydrophobicContact CG-CZ 3.88Å |
| 329 | E | 92.8 | Very high | 93.8 | Very high | 147 Ų | 147 | 78.5 Ų | 78.5 | 69% | 0.687 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 44.9 | 174.3 | -65.9 | 148.1 | -141.4 | 0 | 0 | 112.9 | R331 | E329-R331 PolarHBondContact O-N 2.97Š|
| 330 | G | 90.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 79 Ų | 79 | 40% | 0.402 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 12 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L302 E327 R328 | L302-G330 WeakPolarHBondContact CD1-O 3.28Å; E327-G330 WeakPolarHBondContact OE1-CA 3.43Å; E327-G330 PolarHBondContact OE1-N 3.46Å; R328-G330 VanDerWaalsContact C-N 3.33Å; R328-G330 PolarHBondContact O-N 2.83Å |
| 331 | R | 93 | Very high | 93.6 | Very high | 117 Ų | 117 | 81.4 Ų | 81.4 | 44% | 0.442 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.7 | 178.4 | -63.5 | 170.2 | 64 | -163.9 | -0.2 | 110.6 | V314 R328 E329 Y333 | V314-R331 VanDerWaalsContact CG1-NH2 3.29Å; V314-R331 HydrophobicContact CG2-CB 4.41Å; R328-R331 PolarHBondContact N-O 3.34Å; R328-R331 WeakPolarHBondContact O-CB 3.19Å; R328-R331 PolarHBondContact O-N 3.04Å; E329-R331 PolarHBondContact O-N 2.97Å; R331-Y333 HydrophobicContact CB-CE2 3.71Å; R331-Y333 PolarHBondContact NE-OH 3.17Å; R331-Y333 PolarHBondContact NH1-OH 3.29Å; R331-Y333 VanDerWaalsContact O-CD2 3.25Å; R331-Y333 WeakPolarHBondContact O-CD2 3.35Å; R331-Y333 VanDerWaalsContact O-CE2 3.28Å; R331-Y333 WeakPolarHBondContact O-CE2 3.47Å |
| 332 | P | 95.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 82.1 Ų | 82.1 | 1% | 0.013 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 139.4 | 179.5 | 35.5 | -34.7 | 0 | 0 | 0 | 112.2 | L302 F311 V314 F320 F325 H326 | L302-P332 HydrophobicContact CD1-CB 3.96Å; L302-P332 HydrophobicContact CD1-CG 3.98Å; F311-P332 HydrophobicContact CD2-CG 4.39Å; F311-P332 HydrophobicContact CE2-CB 4.01Å; F311-P332 HydrophobicContact CE2-CG 3.95Å; F311-P332 HydrophobicContact CZ-CB 4.18Å; V314-P332 HydrophobicContact CG2-CG 4.17Å; V314-P332 WeakPolarHBondContact CG2-O 3.19Å; V314-P332 PolarHBondContact N-O 2.75Å; F320-P332 HydrophobicContact CE2-CB 3.88Å; F320-P332 HydrophobicContact CE2-CG 4.26Å; F320-P332 HydrophobicContact CZ-CB 3.6Å; F320-P332 HydrophobicContact CZ-CG 4.12Å; F325-P332 HydrophobicContact CB-CB 4.36Å; F325-P332 HydrophobicContact CD2-CB 3.95Å; F325-P332 HydrophobicContact CG-CB 4.34Å; H326-P332 CarbonylContact O-C 3.52Å; H326-P332 WeakPolarHBondContact O-CA 3.46Å |
| 333 | Y | 96.7 | Very high | 93.9 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147.3 | 179.9 | -61.6 | -94.2 | 0 | 0 | 0 | 110.2 | F325 H326 R328 R331 F338 L341 F342 | F325-Y333 WeakPolarHBondContact CA-O 3.48Å; H326-Y333 PolarHBondContact N-O 3.48Å; H326-Y333 PolarHBondContact O-N 3.31Å; R328-Y333 HydrophobicContact CB-CD2 4.19Å; R328-Y333 HydrophobicContact CB-CE2 3.78Å; R331-Y333 HydrophobicContact CB-CE2 3.71Å; R331-Y333 PolarHBondContact NE-OH 3.17Å; R331-Y333 PolarHBondContact NH1-OH 3.29Å; R331-Y333 VanDerWaalsContact O-CD2 3.25Å; R331-Y333 WeakPolarHBondContact O-CD2 3.35Å; R331-Y333 VanDerWaalsContact O-CE2 3.28Å; R331-Y333 WeakPolarHBondContact O-CE2 3.47Å; Y333-F338 HydrophobicContact CD2-CD2 4.47Å; Y333-L341 HydrophobicContact CD1-CD1 4.12Å; Y333-L341 HydrophobicContact CE1-CD1 3.96Å; Y333-F342 HydrophobicContact CD1-CE2 4.14Å; Y333-F342 AromaticContact CD2-CE2 3.96Å; Y333-F342 HydrophobicContact CD2-CE2 3.96Å; Y333-F342 HydrophobicContact CE1-CE2 4.03Å; Y333-F342 HydrophobicContact CE1-CZ 4.06Å; Y333-F342 AromaticContact CE2-CE2 3.86Å; Y333-F342 HydrophobicContact CE2-CE2 3.86Å; Y333-F342 HydrophobicContact CE2-CZ 4.01Å; Y333-F342 HydrophobicContact CG-CE2 4.1Å; Y333-F342 AromaticContact CZ-CE2 3.89Å; Y333-F342 AromaticContact CZ-CZ 3.73Å |
| 334 | C | 96.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 70 Ų | 70 | 14% | 0.142 | 34% | 0.335 | C | S | . | . | trans | -72.8 | 158.5 | 169.5 | 69.8 | 0 | 0 | 0 | 0 | 109.6 | C313 F320 R336 D337 F338 | C313-C334 HydrophobicContact CB-CB 3.99Å; C313-C334 PolarHBondContact SG-N 3.12Å; F320-C334 HydrophobicContact CD1-CB 4.44Å; F320-C334 HydrophobicContact CE1-CB 4.34Å; C334-R336 VanDerWaalsContact C-N 3.3Å; C334-R336 PolarHBondContact O-N 3.12Å; C334-D337 PolarHBondContact O-N 2.69Å; C334-D337 PolarHBondContact SG-OD1 2.97Å; C334-F338 WeakPolarHBondContact O-CB 3.45Å; C334-F338 PolarHBondContact O-N 3.38Å | ||
| 335 | R | 93.8 | Very high | 94.4 | Very high | 123 Ų | 123 | 73.7 Ų | 73.7 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -49.7 | -48.4 | -178.7 | -174.9 | -178.9 | 179.8 | -173.2 | 0.5 | 112.9 | E323 L339 | E323-R335 VanDerWaalsContact CD-CD 3.48Å; E323-R335 VanDerWaalsContact OE1-CD 3.29Å; E323-R335 WeakPolarHBondContact OE1-CD 3.42Å; E323-R335 IonicContact OE1-CZ 3.64Å; E323-R335 IonicContact OE1-NE 3.7Å; E323-R335 IonicContact OE1-NH1 3.06Å; E323-R335 PolarHBondContact OE1-NH1 3.05Å; E323-R335 WeakPolarHBondContact OE2-CB 3.49Å; E323-R335 WeakPolarHBondContact OE2-CD 3.45Å; R335-L339 HydrophobicContact CG-CD1 3.9Å; R335-L339 WeakPolarHBondContact O-CB 3.4Å; R335-L339 WeakPolarHBondContact O-CD1 3.43Å; R335-L339 WeakPolarHBondContact O-CG 3.22Å; R335-L339 PolarHBondContact O-N 2.89Å |
| 336 | R | 94.2 | Very high | 94.4 | Very high | 163 Ų | 163 | 70 Ų | 70 | 62% | 0.615 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.8 | -54.1 | 179.1 | -177.9 | -176.5 | 67.2 | -162.2 | -2.1 | 112.2 | C334 L339 Q340 | C334-R336 VanDerWaalsContact C-N 3.3Å; C334-R336 PolarHBondContact O-N 3.12Å; R336-L339 PolarHBondContact O-N 3Å; R336-Q340 WeakPolarHBondContact O-CB 3.44Å; R336-Q340 PolarHBondContact O-N 3.29Å |
| 337 | D | 95.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 71.7 Ų | 71.7 | 8% | 0.075 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.2 | -36.3 | -173.3 | -69.3 | 23.1 | 0 | 0 | 0 | 111.1 | S315 C316 C334 L339 Q340 L341 | S315-D337 WeakPolarHBondContact CB-OD2 3.31Å; S315-D337 PolarHBondContact OG-OD2 3.38Å; C316-D337 VanDerWaalsContact CB-OD2 3.23Å; C316-D337 WeakPolarHBondContact CB-OD2 3.27Å; C316-D337 PolarHBondContact N-OD2 3.39Å; C316-D337 PolarHBondContact SG-OD2 2.9Å; C334-D337 PolarHBondContact O-N 2.69Å; C334-D337 PolarHBondContact SG-OD1 2.97Å; D337-L339 VanDerWaalsContact C-N 3.35Å; D337-L339 PolarHBondContact O-N 3.25Å; D337-Q340 PolarHBondContact O-N 3.26Å; D337-L341 VanDerWaalsContact O-CB 3.3Å; D337-L341 WeakPolarHBondContact O-CB 3.46Å; D337-L341 WeakPolarHBondContact O-CG 3.46Å; D337-L341 PolarHBondContact O-N 3.21Å |
| 338 | F | 95.8 | Very high | 94.2 | Very high | 44 Ų | 44 | 67.5 Ų | 67.5 | 19% | 0.193 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.9 | -47.3 | 172.5 | -176.8 | -93.4 | 0 | 0 | 0 | 111.4 | H326 R328 Y333 C334 F342 | H326-F338 HydrophobicContact CB-CB 3.85Å; H326-F338 HydrophobicContact CB-CD1 3.91Å; H326-F338 HydrophobicContact CB-CD2 3.3Å; H326-F338 HydrophobicContact CB-CE1 4.29Å; H326-F338 HydrophobicContact CB-CE2 3.72Å; H326-F338 HydrophobicContact CB-CG 3.4Å; H326-F338 VanDerWaalsContact CB-CG 3.4Å; H326-F338 HydrophobicContact CB-CZ 4.2Å; H326-F338 AromaticContact CG-CD1 3.86Å; H326-F338 AromaticContact CG-CG 3.78Å; H326-F338 AromaticContact ND1-CD1 3.97Å; R328-F338 HydrophobicContact CB-CE2 4.19Å; Y333-F338 HydrophobicContact CD2-CD2 4.47Å; C334-F338 WeakPolarHBondContact O-CB 3.45Å; C334-F338 PolarHBondContact O-N 3.38Å; F338-F342 HydrophobicContact CB-CD2 4.46Å; F338-F342 AromaticContact CD2-CD2 3.5Å; F338-F342 HydrophobicContact CD2-CD2 3.5Å; F338-F342 AromaticContact CD2-CE2 3.95Å; F338-F342 HydrophobicContact CD2-CE2 3.95Å; F338-F342 AromaticContact CE2-CD2 3.84Å; F338-F342 HydrophobicContact CE2-CD2 3.84Å; F338-F342 HydrophobicContact CE2-CE2 4.43Å; F338-F342 AromaticContact CG-CD2 3.97Å; F338-F342 HydrophobicContact CG-CD2 3.97Å; F338-F342 WeakPolarHBondContact O-CB 3.31Å; F338-F342 VanDerWaalsContact O-CD2 3.27Å; F338-F342 WeakPolarHBondContact O-CD2 3.09Å; F338-F342 PolarHBondContact O-N 2.89Å |
| 339 | L | 93.6 | Very high | 94.2 | Very high | 49 Ų | 49 | 65.3 Ų | 65.3 | 26% | 0.257 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 177.3 | -68 | 169.8 | 0 | 0 | 0 | 111.6 | R335 R336 D337 L341 A343 L354 | R335-L339 HydrophobicContact CG-CD1 3.9Å; R335-L339 WeakPolarHBondContact O-CB 3.4Å; R335-L339 WeakPolarHBondContact O-CD1 3.43Å; R335-L339 WeakPolarHBondContact O-CG 3.22Å; R335-L339 PolarHBondContact O-N 2.89Å; R336-L339 PolarHBondContact O-N 3Å; D337-L339 VanDerWaalsContact C-N 3.35Å; D337-L339 PolarHBondContact O-N 3.25Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 2.98Å; L339-A343 HydrophobicContact CD2-CB 4.48Å; L339-A343 WeakPolarHBondContact O-CB 3.5Å; L339-A343 PolarHBondContact O-N 3.33Å; L339-L354 HydrophobicContact CB-CD2 3.77Å; L339-L354 HydrophobicContact CD1-CD2 4.13Å; L339-L354 HydrophobicContact CD2-CD2 4.11Å; L339-L354 HydrophobicContact CG-CD2 4.21Å |
| 340 | Q | 93.1 | Very high | 94.3 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | -179.7 | -176.7 | 61.4 | 14.3 | 0 | 0 | 113.3 | R336 D337 R345 | R336-Q340 WeakPolarHBondContact O-CB 3.44Å; R336-Q340 PolarHBondContact O-N 3.29Å; D337-Q340 PolarHBondContact O-N 3.26Å; Q340-R345 PolarHBondContact O-NH2 3.49Å |
| 341 | L | 93.5 | Very high | 94.5 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -87.5 | -42.1 | -178.6 | -65.9 | 172.2 | 0 | 0 | 0 | 112.9 | Y333 D337 L339 | Y333-L341 HydrophobicContact CD1-CD1 4.12Å; Y333-L341 HydrophobicContact CE1-CD1 3.96Å; D337-L341 VanDerWaalsContact O-CB 3.3Å; D337-L341 WeakPolarHBondContact O-CB 3.46Å; D337-L341 WeakPolarHBondContact O-CG 3.46Å; D337-L341 PolarHBondContact O-N 3.21Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 2.98Å |
| 342 | F | 94.1 | Very high | 94.6 | Very high | 72 Ų | 72 | 57.9 Ų | 57.9 | 32% | 0.316 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -116.2 | -8.7 | -166.3 | -49 | -61.8 | 0 | 0 | 0 | 115.5 | R328 Y333 F338 | R328-F342 HydrophobicContact CB-CD2 4.37Å; R328-F342 HydrophobicContact CB-CE2 3.87Å; R328-F342 HydrophobicContact CB-CZ 4Å; R328-F342 HydrophobicContact CG-CD1 4.35Å; R328-F342 HydrophobicContact CG-CD2 4.47Å; R328-F342 HydrophobicContact CG-CE1 3.99Å; R328-F342 HydrophobicContact CG-CE2 4.13Å; R328-F342 HydrophobicContact CG-CZ 3.88Å; Y333-F342 HydrophobicContact CD1-CE2 4.14Å; Y333-F342 AromaticContact CD2-CE2 3.96Å; Y333-F342 HydrophobicContact CD2-CE2 3.96Å; Y333-F342 HydrophobicContact CE1-CE2 4.03Å; Y333-F342 HydrophobicContact CE1-CZ 4.06Å; Y333-F342 AromaticContact CE2-CE2 3.86Å; Y333-F342 HydrophobicContact CE2-CE2 3.86Å; Y333-F342 HydrophobicContact CE2-CZ 4.01Å; Y333-F342 HydrophobicContact CG-CE2 4.1Å; Y333-F342 AromaticContact CZ-CE2 3.89Å; Y333-F342 AromaticContact CZ-CZ 3.73Å; F338-F342 HydrophobicContact CB-CD2 4.46Å; F338-F342 AromaticContact CD2-CD2 3.5Å; F338-F342 HydrophobicContact CD2-CD2 3.5Å; F338-F342 AromaticContact CD2-CE2 3.95Å; F338-F342 HydrophobicContact CD2-CE2 3.95Å; F338-F342 AromaticContact CE2-CD2 3.84Å; F338-F342 HydrophobicContact CE2-CD2 3.84Å; F338-F342 HydrophobicContact CE2-CE2 4.43Å; F338-F342 AromaticContact CG-CD2 3.97Å; F338-F342 HydrophobicContact CG-CD2 3.97Å; F338-F342 WeakPolarHBondContact O-CB 3.31Å; F338-F342 VanDerWaalsContact O-CD2 3.27Å; F338-F342 WeakPolarHBondContact O-CD2 3.09Å; F338-F342 PolarHBondContact O-N 2.89Å |
| 343 | A | 93.7 | Very high | 94.5 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 12% | 0.116 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -68.9 | 150.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L339 P352 L354 | L339-A343 HydrophobicContact CD2-CB 4.48Å; L339-A343 WeakPolarHBondContact O-CB 3.5Å; L339-A343 PolarHBondContact O-N 3.33Å; A343-P352 HydrophobicContact CB-CB 3.84Å; A343-L354 HydrophobicContact CB-CD2 4.34Å |
| 344 | P | 94.8 | Very high | 94.3 | Very high | 70 Ų | 70 | 61.9 Ų | 61.9 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 145.7 | 174.1 | -18.1 | 30.5 | 0 | 0 | 0 | 111.2 | P352 I353 L364 | P344-P352 CarbonylContact O-C 3.6Å; P344-I353 WeakPolarHBondContact O-CB 3.28Å; P344-I353 PolarHBondContact O-N 3.46Å; P344-L364 HydrophobicContact CB-CD1 3.55Å; P344-L364 HydrophobicContact CG-CD1 4.23Å |
| 345 | R | 95.4 | Very high | 93.9 | Very high | 107 Ų | 107 | 66.5 Ų | 66.5 | 40% | 0.404 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -95.5 | 140.1 | -178.5 | -63.4 | -172.3 | -179.2 | -69.7 | -17.5 | 111.5 | Q340 Q350 G351 | Q340-R345 PolarHBondContact O-NH2 3.49Å; R345-Q350 PolarHBondContact NH1-O 2.99Å; R345-G351 WeakPolarHBondContact CA-O 3.32Å |
| 346 | C | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 124.7 | 171.7 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | G348 C349 Q350 G351 I353 L364 H366 C369 | C346-G348 PolarHBondContact O-N 3.49Å; C346-G348 VanDerWaalsContact O-N 3.11Å; C346-G348 PolarHBondContact SG-N 3.4Å; C346-C349 PolarHBondContact O-N 3.35Å; C346-Q350 WeakPolarHBondContact O-CA 3.44Å; C346-Q350 PolarHBondContact O-N 3.31Å; C346-G351 PolarHBondContact N-O 2.94Å; C346-I353 HydrophobicContact CB-CD1 4.02Å; C346-I353 HydrophobicContact CB-CG1 3.87Å; C346-L364 CarbonylContact C-O 3.51Å; C346-L364 WeakPolarHBondContact CA-O 3.47Å; C346-H366 VanDerWaalsContact CB-CE1 3.43Å; C346-H366 WeakPolarHBondContact CB-CE1 3.5Å; C346-H366 WeakPolarHBondContact CB-ND1 3.48Å; C346-H366 PolarHBondContact SG-N 3.49Å; C346-H366 VanDerWaalsContact SG-N 3.38Å; C346-H366 PolarHBondContact SG-ND1 2.97Å; C346-C369 WeakPolarHBondContact SG-CB 3.46Å |
| 347 | Q | 94 | Very high | 93.8 | Very high | 102 Ų | 102 | 59.1 Ų | 59.1 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.4 | 178.7 | -172.7 | 66.7 | -18.5 | 0 | 0 | 113.4 | Q350 A363 L364 W365 | Q347-Q350 PolarHBondContact O-NE2 3.48Å; Q347-A363 HydrophobicContact CB-CB 3.88Å; Q347-A363 HydrophobicContact CG-CB 4.04Å; Q347-L364 PolarHBondContact N-O 3.33Å; Q347-W365 HydrophobicContact CB-CD2 4.02Å; Q347-W365 HydrophobicContact CB-CE3 4.06Å; Q347-W365 HydrophobicContact CB-CH2 3.77Å; Q347-W365 HydrophobicContact CB-CZ2 3.74Å; Q347-W365 HydrophobicContact CB-CZ3 3.93Å; Q347-W365 HydrophobicContact CG-CH2 3.55Å; Q347-W365 HydrophobicContact CG-CZ2 3.64Å; Q347-W365 HydrophobicContact CG-CZ3 4.13Å |
| 348 | G | 92.3 | Very high | 93.6 | Very high | 20 Ų | 20 | 59.4 Ų | 59.4 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -33 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | C346 R373 | C346-G348 PolarHBondContact O-N 3.49Å; C346-G348 VanDerWaalsContact O-N 3.11Å; C346-G348 PolarHBondContact SG-N 3.4Å; G348-R373 PolarHBondContact O-NH1 3.21Å |
| 349 | C | 94.2 | Very high | 93.5 | Very high | 67 Ų | 67 | 60.7 Ų | 60.7 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132 | -6.3 | -174.6 | 71.2 | 0 | 0 | 0 | 0 | 114.6 | C346 G351 H366 | C346-C349 PolarHBondContact O-N 3.35Å; C349-G351 PolarHBondContact O-N 2.87Å; C349-G351 PolarHBondContact SG-N 3.2Å; C349-H366 PolarHBondContact SG-CE1 2.76Å; C349-H366 PolarHBondContact SG-ND1 3.25Å; C349-H366 VanDerWaalsContact SG-ND1 3.37Å |
| 350 | Q | 94.2 | Very high | 93.4 | Very high | 102 Ų | 102 | 58.9 Ų | 58.9 | 48% | 0.477 | 32% | 0.317 | S | S | . | . | trans | 60.8 | 1 | -175.1 | -56.8 | -61.4 | -31 | 0 | 0 | 116.3 | R345 C346 Q347 | R345-Q350 PolarHBondContact NH1-O 2.99Å; C346-Q350 WeakPolarHBondContact O-CA 3.44Å; C346-Q350 PolarHBondContact O-N 3.31Å; Q347-Q350 PolarHBondContact O-NE2 3.48Å | ||
| 351 | G | 94.1 | Very high | 93.3 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 22% | 0.216 | 30% | 0.3 | C | S | . | . | trans | -72.2 | 161 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R345 C346 C349 | R345-G351 WeakPolarHBondContact CA-O 3.32Å; C346-G351 PolarHBondContact N-O 2.94Å; C349-G351 PolarHBondContact O-N 2.87Å; C349-G351 PolarHBondContact SG-N 3.2Å | ||
| 352 | P | 95.6 | Very high | 93.1 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 16% | 0.156 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -68.6 | 142.9 | 178.8 | 31 | -36.7 | 0 | 0 | 0 | 112 | A343 P344 L354 H366 | A343-P352 HydrophobicContact CB-CB 3.84Å; P344-P352 CarbonylContact O-C 3.6Å; P352-L354 HydrophobicContact CB-CD2 3.86Å; P352-L354 HydrophobicContact CG-CD2 4.11Å; P352-H366 PolarHBondContact O-CE1 3.06Å; P352-H366 PolarHBondContact O-NE2 2.79Å |
| 353 | I | 94.8 | Very high | 93 | Very high | 12 Ų | 12 | 55.1 Ų | 55.1 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | trans | -92.9 | 109.1 | 171.8 | -64.2 | 178 | 0 | 0 | 0 | 107.6 | P344 C346 Y357 L364 | P344-I353 WeakPolarHBondContact O-CB 3.28Å; P344-I353 PolarHBondContact O-N 3.46Å; C346-I353 HydrophobicContact CB-CD1 4.02Å; C346-I353 HydrophobicContact CB-CG1 3.87Å; I353-Y357 HydrophobicContact CG2-CG 4.45Å; I353-L364 HydrophobicContact CD1-CB 3.46Å; I353-L364 VanDerWaalsContact CD1-CB 3.46Å | ||
| 354 | L | 91.1 | Very high | 93.1 | Very high | 85 Ų | 85 | 57 Ų | 57 | 45% | 0.445 | 33% | 0.325 | S | S | . | . | trans | -96 | -30 | -177.1 | -50.7 | -172.2 | 0 | 0 | 0 | 112.7 | L339 A343 P352 | L339-L354 HydrophobicContact CB-CD2 3.77Å; L339-L354 HydrophobicContact CD1-CD2 4.13Å; L339-L354 HydrophobicContact CD2-CD2 4.11Å; L339-L354 HydrophobicContact CG-CD2 4.21Å; A343-L354 HydrophobicContact CB-CD2 4.34Å; P352-L354 HydrophobicContact CB-CD2 3.86Å; P352-L354 HydrophobicContact CG-CD2 4.11Å | ||
| 355 | D | 87.8 | Confident | 93.1 | Very high | 118 Ų | 118 | 54 Ų | 54 | 63% | 0.631 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -129 | -152.1 | -170.8 | -76.9 | -64.3 | 0 | 0 | 0 | 111.2 | Y357 | D355-Y357 PolarHBondContact O-N 3.17Š|
| 356 | N | 91.2 | Very high | 93.1 | Very high | 76 Ų | 76 | 51.1 Ų | 51.1 | 41% | 0.406 | 30% | 0.296 | S | S | . | . | trans | -45.2 | 135.7 | 177.3 | -64 | -45.7 | 0 | 0 | 0 | 113 | P66 R67 S68 P367 | P66-N356 HydrophobicContact CB-CB 4.49Å; R67-N356 WeakPolarHBondContact O-CA 3.33Å; S68-N356 PolarHBondContact OG-OD1 3.3Å; N356-P367 VanDerWaalsContact O-CD 3.31Å; N356-P367 WeakPolarHBondContact O-CD 3.25Å | ||
| 357 | Y | 94.2 | Very high | 93 | Very high | 55 Ų | 55 | 53.7 Ų | 53.7 | 22% | 0.216 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -135.7 | 155.1 | -177.3 | 65 | -90.8 | 0 | 0 | 0 | 112.7 | P66 R67 I353 D355 L364 W365 | P66-Y357 WeakPolarHBondContact CA-O 3.48Å; R67-Y357 HydrophobicContact CB-CE1 4.11Å; R67-Y357 HydrophobicContact CB-CE2 4.31Å; R67-Y357 PolarHBondContact N-O 2.89Å; R67-Y357 WeakPolarHBondContact O-CD1 3.25Å; R67-Y357 WeakPolarHBondContact O-CE1 3.43Å; R67-Y357 PolarHBondContact O-N 3.03Å; R67-Y357 VanDerWaalsContact O-N 3.12Å; I353-Y357 HydrophobicContact CG2-CG 4.45Å; D355-Y357 PolarHBondContact O-N 3.17Å; Y357-L364 HydrophobicContact CD2-CD2 3.67Å; Y357-L364 HydrophobicContact CE2-CD2 3.81Å; Y357-W365 WeakPolarHBondContact CA-O 3.21Å |
| 358 | I | 92.8 | Very high | 93 | Very high | 20 Ų | 20 | 55.7 Ų | 55.7 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.9 | 167.8 | -69.7 | 172.8 | 0 | 0 | 0 | 108.2 | V63 A360 L364 W365 P367 F370 | V63-I358 HydrophobicContact CG1-CD1 4.3Å; V63-I358 HydrophobicContact CG1-CG1 4.22Å; V63-I358 HydrophobicContact CG1-CG2 3.79Å; I358-A360 HydrophobicContact CG2-CB 3.98Å; I358-L364 WeakPolarHBondContact O-CA 3.23Å; I358-W365 HydrophobicContact CB-CB 4.37Å; I358-W365 PolarHBondContact N-O 3.35Å; I358-W365 PolarHBondContact O-N 3.36Å; I358-P367 HydrophobicContact CD1-CB 4.5Å; I358-F370 HydrophobicContact CB-CB 4.42Å; I358-F370 HydrophobicContact CD1-CB 3.72Å; I358-F370 HydrophobicContact CD1-CD1 4.17Å; I358-F370 HydrophobicContact CD1-CG 4.19Å; I358-F370 HydrophobicContact CG2-CB 4.32Å; I358-F370 HydrophobicContact CG2-CD1 4.05Å; I358-F370 HydrophobicContact CG2-CD2 4.22Å; I358-F370 HydrophobicContact CG2-CE1 4.49Å; I358-F370 HydrophobicContact CG2-CG 3.91Å |
| 359 | S | 93.2 | Very high | 93.1 | Very high | 70 Ų | 70 | 56 Ų | 56 | 49% | 0.49 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 109.6 | 171.2 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | ||
| 360 | A | 91.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 53.2 Ų | 53.2 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 152.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | I358 S362 A363 W365 F370 F384 | I358-A360 HydrophobicContact CG2-CB 3.98Å; A360-S362 VanDerWaalsContact C-N 3.29Å; A360-S362 PolarHBondContact O-N 2.89Å; A360-A363 PolarHBondContact N-O 3.03Å; A360-A363 CarbonylContact O-C 3.54Å; A360-A363 PolarHBondContact O-N 2.73Å; A360-W365 PolarHBondContact O-NE1 3.3Å; A360-F370 HydrophobicContact CB-CD2 4.34Å; A360-F370 HydrophobicContact CB-CE1 4.43Å; A360-F370 HydrophobicContact CB-CE2 3.55Å; A360-F370 HydrophobicContact CB-CZ 3.61Å; A360-F384 HydrophobicContact CB-CZ 4.12Å |
| 361 | L | 90.3 | Very high | 93.1 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 13% | 0.131 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 43.8 | 179.5 | -52.1 | -178.2 | 0 | 0 | 0 | 112.8 | A363 W365 F370 F384 E386 P391 | L361-A363 WeakPolarHBondContact O-CB 3.47Å; L361-A363 PolarHBondContact O-N 3.43Å; L361-W365 HydrophobicContact CB-CZ2 4.38Å; L361-W365 HydrophobicContact CD1-CZ2 4.05Å; L361-F370 HydrophobicContact CD1-CE2 4.45Å; L361-F384 HydrophobicContact CD2-CE2 3.73Å; L361-F384 HydrophobicContact CG-CE2 4.16Å; L361-E386 HydrophobicContact CD2-CB 3.72Å; L361-E386 VanDerWaalsContact CD2-CD 3.46Å; L361-E386 HydrophobicContact CD2-CG 3.56Å; L361-E386 VanDerWaalsContact CD2-OE2 3.3Å; L361-E386 WeakPolarHBondContact CD2-OE2 3.48Å; L361-P391 HydrophobicContact CD1-CB 3.84Å; L361-P391 HydrophobicContact CD1-CG 4.08Å |
| 362 | S | 89.5 | Confident | 93.1 | Very high | 140 Ų | 140 | 48.1 Ų | 48.1 | 98% | 0.979 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 19.7 | -172.4 | 57.8 | 0 | 0 | 0 | 0 | 116 | A360 | A360-S362 VanDerWaalsContact C-N 3.29Å; A360-S362 PolarHBondContact O-N 2.89Å |
| 363 | A | 93.5 | Very high | 93 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 170.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q347 A360 L361 W365 | Q347-A363 HydrophobicContact CB-CB 3.88Å; Q347-A363 HydrophobicContact CG-CB 4.04Å; A360-A363 PolarHBondContact N-O 3.03Å; A360-A363 CarbonylContact O-C 3.54Å; A360-A363 PolarHBondContact O-N 2.73Å; L361-A363 WeakPolarHBondContact O-CB 3.47Å; L361-A363 PolarHBondContact O-N 3.43Å; A363-W365 HydrophobicContact CB-CZ2 4.47Å |
| 364 | L | 95.5 | Very high | 92.9 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 27% | 0.272 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 144.1 | 178.9 | -57.7 | 175.5 | 0 | 0 | 0 | 110.7 | P344 C346 Q347 I353 Y357 I358 | P344-L364 HydrophobicContact CB-CD1 3.55Å; P344-L364 HydrophobicContact CG-CD1 4.23Å; C346-L364 CarbonylContact C-O 3.51Å; C346-L364 WeakPolarHBondContact CA-O 3.47Å; Q347-L364 PolarHBondContact N-O 3.33Å; I353-L364 HydrophobicContact CD1-CB 3.46Å; I353-L364 VanDerWaalsContact CD1-CB 3.46Å; Y357-L364 HydrophobicContact CD2-CD2 3.67Å; Y357-L364 HydrophobicContact CE2-CD2 3.81Å; I358-L364 WeakPolarHBondContact O-CA 3.23Å |
| 365 | W | 95.3 | Very high | 93 | Very high | 8 Ų | 8 | 54 Ų | 54 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 142.1 | -175.5 | -49.4 | 79 | 0 | 0 | 0 | 110.8 | Q347 Y357 I358 A360 L361 A363 F370 P391 | Q347-W365 HydrophobicContact CB-CD2 4.02Å; Q347-W365 HydrophobicContact CB-CE3 4.06Å; Q347-W365 HydrophobicContact CB-CH2 3.77Å; Q347-W365 HydrophobicContact CB-CZ2 3.74Å; Q347-W365 HydrophobicContact CB-CZ3 3.93Å; Q347-W365 HydrophobicContact CG-CH2 3.55Å; Q347-W365 HydrophobicContact CG-CZ2 3.64Å; Q347-W365 HydrophobicContact CG-CZ3 4.13Å; Y357-W365 WeakPolarHBondContact CA-O 3.21Å; I358-W365 HydrophobicContact CB-CB 4.37Å; I358-W365 PolarHBondContact N-O 3.35Å; I358-W365 PolarHBondContact O-N 3.36Å; A360-W365 PolarHBondContact O-NE1 3.3Å; L361-W365 HydrophobicContact CB-CZ2 4.38Å; L361-W365 HydrophobicContact CD1-CZ2 4.05Å; A363-W365 HydrophobicContact CB-CZ2 4.47Å; W365-F370 HydrophobicContact CB-CB 4.05Å; W365-F370 HydrophobicContact CB-CD2 4.13Å; W365-F370 AromaticContact CD1-CD2 3.8Å; W365-F370 AromaticContact CD2-CD2 3.7Å; W365-F370 HydrophobicContact CD2-CD2 3.7Å; W365-F370 HydrophobicContact CD2-CE2 4.34Å; W365-F370 AromaticContact CE2-CD2 3.98Å; W365-F370 HydrophobicContact CE3-CD2 4.24Å; W365-F370 HydrophobicContact CG-CB 4.45Å; W365-F370 AromaticContact CG-CD2 3.62Å; W365-F370 HydrophobicContact CG-CD2 3.62Å; W365-F370 HydrophobicContact CG-CE2 4.41Å; W365-F370 HydrophobicContact CG-CG 4.45Å; W365-P391 HydrophobicContact CH2-CG 4.35Å |
| 366 | H | 95.4 | Very high | 93.3 | Very high | 46 Ų | 46 | 54.1 Ų | 54.1 | 21% | 0.213 | 30% | 0.303 | C | S | . | . | trans | -63 | 148.3 | 158.9 | -56.6 | 109.6 | 0 | 0 | 0 | 109.1 | C346 C349 P352 D368 C369 F370 | C346-H366 VanDerWaalsContact CB-CE1 3.43Å; C346-H366 WeakPolarHBondContact CB-CE1 3.5Å; C346-H366 WeakPolarHBondContact CB-ND1 3.48Å; C346-H366 PolarHBondContact SG-N 3.49Å; C346-H366 VanDerWaalsContact SG-N 3.38Å; C346-H366 PolarHBondContact SG-ND1 2.97Å; C349-H366 PolarHBondContact SG-CE1 2.76Å; C349-H366 PolarHBondContact SG-ND1 3.25Å; C349-H366 VanDerWaalsContact SG-ND1 3.37Å; P352-H366 PolarHBondContact O-CE1 3.06Å; P352-H366 PolarHBondContact O-NE2 2.79Å; H366-D368 VanDerWaalsContact C-N 3.3Å; H366-D368 PolarHBondContact O-N 3.27Å; H366-C369 HydrophobicContact CB-CB 3.98Å; H366-C369 WeakPolarHBondContact O-CA 3.28Å; H366-C369 WeakPolarHBondContact O-CB 3.43Å; H366-C369 PolarHBondContact O-N 3.03Å; H366-F370 PolarHBondContact O-N 3.11Å; H366-F370 VanDerWaalsContact O-N 3.12Å | ||
| 367 | P | 92.9 | Very high | 93.4 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 36% | 0.357 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -50.7 | -48.3 | 176 | -28.9 | 36.5 | 0 | 0 | 0 | 112.7 | N356 I358 C369 F370 | N356-P367 VanDerWaalsContact O-CD 3.31Å; N356-P367 WeakPolarHBondContact O-CD 3.25Å; I358-P367 HydrophobicContact CD1-CB 4.5Å; P367-C369 PolarHBondContact O-N 3.21Å; P367-F370 PolarHBondContact O-N 3.23Å |
| 368 | D | 93.3 | Very high | 93.3 | Very high | 144 Ų | 144 | 55 Ų | 55 | 77% | 0.77 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -71.5 | -16.6 | 179.8 | -47.7 | -54.8 | 0 | 0 | 0 | 113.5 | H366 V371 | H366-D368 VanDerWaalsContact C-N 3.3Å; H366-D368 PolarHBondContact O-N 3.27Å; D368-V371 WeakPolarHBondContact O-CG1 3.45Å |
| 369 | C | 94.6 | Very high | 93.2 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -88.7 | -17 | 174.3 | -75.3 | 0 | 0 | 0 | 0 | 112.9 | C346 H366 P367 V371 R373 | C346-C369 WeakPolarHBondContact SG-CB 3.46Å; H366-C369 HydrophobicContact CB-CB 3.98Å; H366-C369 WeakPolarHBondContact O-CA 3.28Å; H366-C369 WeakPolarHBondContact O-CB 3.43Å; H366-C369 PolarHBondContact O-N 3.03Å; P367-C369 PolarHBondContact O-N 3.21Å; C369-V371 PolarHBondContact O-N 3.35Å; C369-R373 PolarHBondContact O-NH2 3.45Å |
| 370 | F | 94.2 | Very high | 92.6 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | trans | -85.9 | 68.2 | 178.4 | -162.3 | -105.3 | 0 | 0 | 0 | 111.2 | V63 I358 A360 L361 W365 H366 P367 F379 F384 P391 | V63-F370 HydrophobicContact CG2-CD1 4Å; V63-F370 HydrophobicContact CG2-CE1 3.46Å; V63-F370 VanDerWaalsContact CG2-CE1 3.46Å; V63-F370 HydrophobicContact CG2-CZ 4.33Å; I358-F370 HydrophobicContact CB-CB 4.42Å; I358-F370 HydrophobicContact CD1-CB 3.72Å; I358-F370 HydrophobicContact CD1-CD1 4.17Å; I358-F370 HydrophobicContact CD1-CG 4.19Å; I358-F370 HydrophobicContact CG2-CB 4.32Å; I358-F370 HydrophobicContact CG2-CD1 4.05Å; I358-F370 HydrophobicContact CG2-CD2 4.22Å; I358-F370 HydrophobicContact CG2-CE1 4.49Å; I358-F370 HydrophobicContact CG2-CG 3.91Å; A360-F370 HydrophobicContact CB-CD2 4.34Å; A360-F370 HydrophobicContact CB-CE1 4.43Å; A360-F370 HydrophobicContact CB-CE2 3.55Å; A360-F370 HydrophobicContact CB-CZ 3.61Å; L361-F370 HydrophobicContact CD1-CE2 4.45Å; W365-F370 HydrophobicContact CB-CB 4.05Å; W365-F370 HydrophobicContact CB-CD2 4.13Å; W365-F370 AromaticContact CD1-CD2 3.8Å; W365-F370 AromaticContact CD2-CD2 3.7Å; W365-F370 HydrophobicContact CD2-CD2 3.7Å; W365-F370 HydrophobicContact CD2-CE2 4.34Å; W365-F370 AromaticContact CE2-CD2 3.98Å; W365-F370 HydrophobicContact CE3-CD2 4.24Å; W365-F370 HydrophobicContact CG-CB 4.45Å; W365-F370 AromaticContact CG-CD2 3.62Å; W365-F370 HydrophobicContact CG-CD2 3.62Å; W365-F370 HydrophobicContact CG-CE2 4.41Å; W365-F370 HydrophobicContact CG-CG 4.45Å; H366-F370 PolarHBondContact O-N 3.11Å; H366-F370 VanDerWaalsContact O-N 3.12Å; P367-F370 PolarHBondContact O-N 3.23Å; F370-F379 AromaticContact CD1-CD2 3.54Å; F370-F379 HydrophobicContact CD1-CD2 3.54Å; F370-F379 AromaticContact CD1-CE2 3.66Å; F370-F379 HydrophobicContact CD1-CE2 3.66Å; F370-F379 AromaticContact CE1-CD2 3.51Å; F370-F379 HydrophobicContact CE1-CD2 3.51Å; F370-F379 AromaticContact CE1-CE2 3.57Å; F370-F379 HydrophobicContact CE1-CE2 3.57Å; F370-F379 HydrophobicContact CG-CD2 4.48Å; F370-F379 HydrophobicContact CG-CE2 4.25Å; F370-F379 HydrophobicContact CZ-CD2 4.45Å; F370-F379 HydrophobicContact CZ-CE2 4.12Å; F370-F379 VanDerWaalsContact O-CD2 3.23Å; F370-F379 WeakPolarHBondContact O-CD2 3.43Å; F370-F379 VanDerWaalsContact O-CE2 3.25Å; F370-F379 WeakPolarHBondContact O-CE2 3.45Å; F370-F384 HydrophobicContact CE1-CB 4.48Å; F370-F384 AromaticContact CE1-CD1 3.72Å; F370-F384 HydrophobicContact CE1-CD1 3.72Å; F370-F384 HydrophobicContact CE1-CD2 4.46Å; F370-F384 HydrophobicContact CE1-CE1 4.02Å; F370-F384 AromaticContact CE1-CG 3.96Å; F370-F384 HydrophobicContact CE1-CG 3.96Å; F370-F384 AromaticContact CZ-CD1 3.83Å; F370-F384 HydrophobicContact CZ-CD1 3.83Å; F370-F384 AromaticContact CZ-CD2 3.86Å; F370-F384 HydrophobicContact CZ-CD2 3.86Å; F370-F384 AromaticContact CZ-CE1 3.88Å; F370-F384 HydrophobicContact CZ-CE1 3.88Å; F370-F384 AromaticContact CZ-CE2 3.91Å; F370-F384 HydrophobicContact CZ-CE2 3.91Å; F370-F384 AromaticContact CZ-CG 3.82Å; F370-F384 HydrophobicContact CZ-CG 3.82Å; F370-F384 AromaticContact CZ-CZ 3.91Å; F370-F384 HydrophobicContact CZ-CZ 3.91Å; F370-P391 HydrophobicContact CD2-CB 4.48Å; F370-P391 HydrophobicContact CD2-CG 4.24Å; F370-P391 HydrophobicContact CE2-CB 3.75Å; F370-P391 HydrophobicContact CE2-CG 3.89Å; F370-P391 HydrophobicContact CZ-CB 3.82Å; F370-P391 HydrophobicContact CZ-CG 4.44Å | ||
| 371 | V | 94.2 | Very high | 91.9 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -121.4 | 160.2 | -178.3 | -62 | 0 | 0 | 0 | 0 | 111.5 | D368 C369 R373 L376 A377 P378 | D368-V371 WeakPolarHBondContact O-CG1 3.45Å; C369-V371 PolarHBondContact O-N 3.35Å; V371-R373 PolarHBondContact O-N 3.42Å; V371-L376 WeakPolarHBondContact CB-O 3.41Å; V371-L376 HydrophobicContact CG2-CB 4.4Å; V371-L376 HydrophobicContact CG2-CD2 4.29Å; V371-A377 WeakPolarHBondContact CB-O 3.48Å; V371-P378 HydrophobicContact CG1-CB 4.44Å |
| 372 | C | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | trans | -59 | 124.4 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | E374 C375 L376 A377 F379 P391 C393 H396 | C372-E374 PolarHBondContact O-N 3.48Å; C372-C375 PolarHBondContact O-N 2.88Å; C372-C375 VanDerWaalsContact SG-SG 3.63Å; C372-L376 WeakPolarHBondContact O-CA 3.25Å; C372-L376 PolarHBondContact O-N 2.91Å; C372-A377 PolarHBondContact N-O 2.86Å; C372-F379 HydrophobicContact CB-CE1 3.82Å; C372-F379 HydrophobicContact CB-CZ 4.11Å; C372-P391 WeakPolarHBondContact CA-O 3.46Å; C372-C393 HydrophobicContact CB-CB 4.1Å; C372-C393 PolarHBondContact SG-N 3.42Å; C372-H396 PolarHBondContact SG-ND1 2.98Å | ||
| 373 | R | 92.3 | Very high | 91.1 | Very high | 79 Ų | 79 | 54.9 Ų | 54.9 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -22.2 | -173.5 | -70.3 | -71 | 137.4 | 173.6 | -3.9 | 115.5 | G348 C369 V371 R390 P391 L392 | G348-R373 PolarHBondContact O-NH1 3.21Å; C369-R373 PolarHBondContact O-NH2 3.45Å; V371-R373 PolarHBondContact O-N 3.42Å; R373-R390 HydrophobicContact CG-CB 4.07Å; R373-P391 HydrophobicContact CG-CG 4.41Å; R373-P391 PolarHBondContact N-O 3.15Å; R373-L392 HydrophobicContact CB-CD2 4.18Å |
| 374 | E | 92.8 | Very high | 91.1 | Very high | 108 Ų | 108 | 54.3 Ų | 54.3 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -38.1 | 179.8 | -62.7 | -68.2 | 177.9 | 0 | 0 | 113.9 | C372 L392 H396 Q400 | C372-E374 PolarHBondContact O-N 3.48Å; E374-L392 HydrophobicContact CG-CD2 3.76Å; E374-H396 HydrophobicContact CB-CB 4.12Å; E374-H396 HydrophobicContact CG-CB 4.01Å; E374-Q400 PolarHBondContact OE1-NE2 3.24Å |
| 375 | C | 93.9 | Very high | 90.9 | Very high | 58 Ų | 58 | 52.6 Ų | 52.6 | 39% | 0.392 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -1.5 | -175.8 | 63.1 | 0 | 0 | 0 | 0 | 115.1 | C372 A377 H396 | C372-C375 PolarHBondContact O-N 2.88Å; C372-C375 VanDerWaalsContact SG-SG 3.63Å; C375-A377 PolarHBondContact O-N 2.99Å; C375-H396 VanDerWaalsContact CB-CE1 3.47Å; C375-H396 WeakPolarHBondContact CB-CE1 3.3Å; C375-H396 PolarHBondContact SG-CE1 2.84Å |
| 376 | L | 93.6 | Very high | 90.7 | Very high | 120 Ų | 120 | 56.3 Ų | 56.3 | 63% | 0.628 | 34% | 0.342 | S | S | * | . | trans | 57.7 | 12 | -178.3 | -50.1 | 178.9 | 0 | 0 | 0 | 115.1 | V371 C372 | V371-L376 WeakPolarHBondContact CB-O 3.41Å; V371-L376 HydrophobicContact CG2-CB 4.4Å; V371-L376 HydrophobicContact CG2-CD2 4.29Å; C372-L376 WeakPolarHBondContact O-CA 3.25Å; C372-L376 PolarHBondContact O-N 2.91Å | ||
| 377 | A | 93 | Very high | 90.4 | Very high | 43 Ų | 43 | 57 Ų | 57 | 36% | 0.355 | 35% | 0.345 | S | S | . | . | trans | -76.4 | 142.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V371 C372 C375 | V371-A377 WeakPolarHBondContact CB-O 3.48Å; C372-A377 PolarHBondContact N-O 2.86Å; C375-A377 PolarHBondContact O-N 2.99Å | ||
| 378 | P | 92.2 | Very high | 90.1 | Very high | 105 Ų | 105 | 61.9 Ų | 61.9 | 68% | 0.682 | 36% | 0.363 | S | S | * | . | B | Isolated β-bridge | trans | -67.8 | 156.1 | 172.5 | 30.1 | -35.5 | 0 | 0 | 0 | 111.8 | V371 S380 | V371-P378 HydrophobicContact CG1-CB 4.44Å; P378-S380 PolarHBondContact O-N 3.2Å |
| 379 | F | 91.4 | Very high | 89.6 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 11% | 0.105 | 34% | 0.344 | C | S | . | . | trans | -79 | 105.7 | -177.5 | -62.1 | -62.5 | 0 | 0 | 0 | 112.3 | F370 C372 G381 G382 S383 F384 P391 L392 C393 | F370-F379 AromaticContact CD1-CD2 3.54Å; F370-F379 HydrophobicContact CD1-CD2 3.54Å; F370-F379 AromaticContact CD1-CE2 3.66Å; F370-F379 HydrophobicContact CD1-CE2 3.66Å; F370-F379 AromaticContact CE1-CD2 3.51Å; F370-F379 HydrophobicContact CE1-CD2 3.51Å; F370-F379 AromaticContact CE1-CE2 3.57Å; F370-F379 HydrophobicContact CE1-CE2 3.57Å; F370-F379 HydrophobicContact CG-CD2 4.48Å; F370-F379 HydrophobicContact CG-CE2 4.25Å; F370-F379 HydrophobicContact CZ-CD2 4.45Å; F370-F379 HydrophobicContact CZ-CE2 4.12Å; F370-F379 VanDerWaalsContact O-CD2 3.23Å; F370-F379 WeakPolarHBondContact O-CD2 3.43Å; F370-F379 VanDerWaalsContact O-CE2 3.25Å; F370-F379 WeakPolarHBondContact O-CE2 3.45Å; C372-F379 HydrophobicContact CB-CE1 3.82Å; C372-F379 HydrophobicContact CB-CZ 4.11Å; F379-G381 PolarHBondContact O-N 3.07Å; F379-G382 PolarHBondContact O-N 3.31Å; F379-S383 WeakPolarHBondContact CB-O 3.22Å; F379-F384 HydrophobicContact CD1-CB 3.69Å; F379-F384 HydrophobicContact CD2-CB 4.04Å; F379-F384 HydrophobicContact CE1-CB 3.79Å; F379-F384 HydrophobicContact CE2-CB 4.09Å; F379-F384 HydrophobicContact CG-CB 3.84Å; F379-F384 HydrophobicContact CZ-CB 3.98Å; F379-P391 HydrophobicContact CE2-CB 3.84Å; F379-P391 HydrophobicContact CE2-CG 4.38Å; F379-P391 HydrophobicContact CZ-CB 3.64Å; F379-P391 HydrophobicContact CZ-CG 4.29Å; F379-L392 VanDerWaalsContact CE1-C 3.47Å; F379-C393 HydrophobicContact CD1-CB 4.47Å; F379-C393 HydrophobicContact CE1-CB 4.32Å | ||
| 380 | S | 80.9 | Confident | 89.4 | Confident | 101 Ų | 101 | 62.6 Ų | 62.6 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -57 | 119.7 | 174.6 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | P378 G382 S383 | P378-S380 PolarHBondContact O-N 3.2Å; S380-G382 PolarHBondContact O-N 3.12Å; S380-S383 PolarHBondContact O-OG 2.72Å |
| 381 | G | 76.1 | Confident | 89.4 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 91% | 0.907 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | 72.9 | 8.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F379 S383 | F379-G381 PolarHBondContact O-N 3.07Å; G381-S383 VanDerWaalsContact C-N 3.26Å; G381-S383 PolarHBondContact O-N 3.47Å |
| 382 | G | 77.1 | Confident | 89.3 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 24% | 0.237 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | 71.8 | 14.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V63 F379 S380 | V63-G382 PolarHBondContact N-O 3.24Å; V63-G382 VanDerWaalsContact N-O 3.11Å; F379-G382 PolarHBondContact O-N 3.31Å; S380-G382 PolarHBondContact O-N 3.12Å |
| 383 | S | 86.7 | Confident | 89.3 | Confident | 29 Ų | 29 | 63 Ų | 63 | 20% | 0.203 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 130.5 | 173 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | F379 S380 G381 | F379-S383 WeakPolarHBondContact CB-O 3.22Å; S380-S383 PolarHBondContact O-OG 2.72Å; G381-S383 VanDerWaalsContact C-N 3.26Å; G381-S383 PolarHBondContact O-N 3.47Å |
| 384 | F | 92.7 | Very high | 89.1 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 161.7 | 177.4 | 67.4 | -82.3 | 0 | 0 | 0 | 110.1 | S61 V63 A360 L361 F370 F379 P391 | S61-F384 WeakPolarHBondContact O-CD1 3.36Å; S61-F384 WeakPolarHBondContact O-CE1 3.45Å; S61-F384 PolarHBondContact O-N 3.17Å; V63-F384 HydrophobicContact CG2-CD1 3.66Å; V63-F384 HydrophobicContact CG2-CE1 3.54Å; A360-F384 HydrophobicContact CB-CZ 4.12Å; L361-F384 HydrophobicContact CD2-CE2 3.73Å; L361-F384 HydrophobicContact CG-CE2 4.16Å; F370-F384 HydrophobicContact CE1-CB 4.48Å; F370-F384 AromaticContact CE1-CD1 3.72Å; F370-F384 HydrophobicContact CE1-CD1 3.72Å; F370-F384 HydrophobicContact CE1-CD2 4.46Å; F370-F384 HydrophobicContact CE1-CE1 4.02Å; F370-F384 AromaticContact CE1-CG 3.96Å; F370-F384 HydrophobicContact CE1-CG 3.96Å; F370-F384 AromaticContact CZ-CD1 3.83Å; F370-F384 HydrophobicContact CZ-CD1 3.83Å; F370-F384 AromaticContact CZ-CD2 3.86Å; F370-F384 HydrophobicContact CZ-CD2 3.86Å; F370-F384 AromaticContact CZ-CE1 3.88Å; F370-F384 HydrophobicContact CZ-CE1 3.88Å; F370-F384 AromaticContact CZ-CE2 3.91Å; F370-F384 HydrophobicContact CZ-CE2 3.91Å; F370-F384 AromaticContact CZ-CG 3.82Å; F370-F384 HydrophobicContact CZ-CG 3.82Å; F370-F384 AromaticContact CZ-CZ 3.91Å; F370-F384 HydrophobicContact CZ-CZ 3.91Å; F379-F384 HydrophobicContact CD1-CB 3.69Å; F379-F384 HydrophobicContact CD2-CB 4.04Å; F379-F384 HydrophobicContact CE1-CB 3.79Å; F379-F384 HydrophobicContact CE2-CB 4.09Å; F379-F384 HydrophobicContact CG-CB 3.84Å; F379-F384 HydrophobicContact CZ-CB 3.98Å; F384-P391 HydrophobicContact CD2-CB 4.25Å |
| 385 | F | 91.5 | Very high | 89.1 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 8% | 0.075 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140 | 174.5 | -68 | -95.4 | 0 | 0 | 0 | 109.5 | Y60 L392 E394 F397 | Y60-F385 HydrophobicContact CD2-CZ 4.47Å; F385-L392 PolarHBondContact N-O 2.96Å; F385-L392 PolarHBondContact O-N 3.44Å; F385-E394 HydrophobicContact CD2-CB 4.15Å; F385-E394 HydrophobicContact CD2-CG 4.49Å; F385-E394 HydrophobicContact CE2-CB 3.61Å; F385-E394 HydrophobicContact CE2-CG 3.65Å; F385-E394 HydrophobicContact CZ-CB 4.47Å; F385-E394 HydrophobicContact CZ-CG 4.02Å; F385-F397 HydrophobicContact CB-CB 3.67Å; F385-F397 HydrophobicContact CB-CD1 3.96Å; F385-F397 HydrophobicContact CB-CD2 3.6Å; F385-F397 HydrophobicContact CB-CE1 4.45Å; F385-F397 HydrophobicContact CB-CE2 4.13Å; F385-F397 HydrophobicContact CB-CG 3.48Å; F385-F397 VanDerWaalsContact CB-CG 3.48Å; F385-F397 AromaticContact CD1-CD1 3.54Å; F385-F397 HydrophobicContact CD1-CD1 3.54Å; F385-F397 HydrophobicContact CD1-CD2 4.49Å; F385-F397 AromaticContact CD1-CE1 3.57Å; F385-F397 HydrophobicContact CD1-CE1 3.57Å; F385-F397 HydrophobicContact CD1-CG 4.01Å; F385-F397 HydrophobicContact CD1-CZ 4.07Å; F385-F397 HydrophobicContact CD2-CB 4.45Å; F385-F397 HydrophobicContact CE1-CD1 4.18Å; F385-F397 HydrophobicContact CE1-CE1 4.17Å; F385-F397 HydrophobicContact CG-CB 4.02Å; F385-F397 AromaticContact CG-CD1 3.77Å; F385-F397 HydrophobicContact CG-CD1 3.77Å; F385-F397 HydrophobicContact CG-CD2 4.33Å; F385-F397 HydrophobicContact CG-CE1 4.23Å; F385-F397 AromaticContact CG-CG 3.8Å; F385-F397 HydrophobicContact CG-CG 3.8Å |
| 386 | E | 91.5 | Very high | 89 | Confident | 86 Ų | 86 | 62.2 Ų | 62.2 | 40% | 0.402 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.7 | 172.6 | -174.6 | 175.7 | 172 | 0 | 0 | 110.7 | L361 F397 | L361-E386 HydrophobicContact CD2-CB 3.72Å; L361-E386 VanDerWaalsContact CD2-CD 3.46Å; L361-E386 HydrophobicContact CD2-CG 3.56Å; L361-E386 VanDerWaalsContact CD2-OE2 3.3Å; L361-E386 WeakPolarHBondContact CD2-OE2 3.48Å; E386-F397 WeakPolarHBondContact O-CE2 3.5Å |
| 387 | H | 88.6 | Confident | 89 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 28% | 0.282 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 124.8 | 162.7 | -163.6 | 66.2 | 0 | 0 | 0 | 109.1 | G389 R390 L392 F397 Q400 | H387-G389 VanDerWaalsContact C-N 3.27Å; H387-G389 PolarHBondContact O-N 3.3Å; H387-R390 PolarHBondContact N-O 3.31Å; H387-R390 WeakPolarHBondContact O-CA 3.36Å; H387-R390 VanDerWaalsContact O-CB 3.25Å; H387-R390 WeakPolarHBondContact O-CB 3.31Å; H387-R390 PolarHBondContact O-N 3.37Å; H387-L392 HydrophobicContact CB-CD1 3.63Å; H387-F397 HydrophobicContact CB-CD2 4.3Å; H387-Q400 PolarHBondContact CD2-OE1 3.17Å |
| 388 | E | 86.2 | Confident | 88.9 | Confident | 157 Ų | 157 | 55.7 Ų | 55.7 | 73% | 0.734 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 40.1 | 179.5 | -55.1 | -174.2 | 150.6 | 0 | 0 | 114.3 | R390 | E388-R390 PolarHBondContact O-N 3.44Š|
| 389 | G | 84.5 | Confident | 88.8 | Confident | 35 Ų | 35 | 52.9 Ų | 52.9 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 15 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H387 | H387-G389 VanDerWaalsContact C-N 3.27Å; H387-G389 PolarHBondContact O-N 3.3Å |
| 390 | R | 89.5 | Confident | 88.7 | Confident | 150 Ų | 150 | 55.8 Ų | 55.8 | 57% | 0.566 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.8 | -179.8 | -62.4 | 176.4 | -175.8 | -168.3 | 2.2 | 111 | R373 H387 E388 | R373-R390 HydrophobicContact CG-CB 4.07Å; H387-R390 PolarHBondContact N-O 3.31Å; H387-R390 WeakPolarHBondContact O-CA 3.36Å; H387-R390 VanDerWaalsContact O-CB 3.25Å; H387-R390 WeakPolarHBondContact O-CB 3.31Å; H387-R390 PolarHBondContact O-N 3.37Å; E388-R390 PolarHBondContact O-N 3.44Å |
| 391 | P | 93.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 129.8 | 177 | 34.3 | -33.8 | 0 | 0 | 0 | 110.7 | L361 W365 F370 C372 R373 F379 F384 | L361-P391 HydrophobicContact CD1-CB 3.84Å; L361-P391 HydrophobicContact CD1-CG 4.08Å; W365-P391 HydrophobicContact CH2-CG 4.35Å; F370-P391 HydrophobicContact CD2-CB 4.48Å; F370-P391 HydrophobicContact CD2-CG 4.24Å; F370-P391 HydrophobicContact CE2-CB 3.75Å; F370-P391 HydrophobicContact CE2-CG 3.89Å; F370-P391 HydrophobicContact CZ-CB 3.82Å; F370-P391 HydrophobicContact CZ-CG 4.44Å; C372-P391 WeakPolarHBondContact CA-O 3.46Å; R373-P391 HydrophobicContact CG-CG 4.41Å; R373-P391 PolarHBondContact N-O 3.15Å; F379-P391 HydrophobicContact CE2-CB 3.84Å; F379-P391 HydrophobicContact CE2-CG 4.38Å; F379-P391 HydrophobicContact CZ-CB 3.64Å; F379-P391 HydrophobicContact CZ-CG 4.29Å; F384-P391 HydrophobicContact CD2-CB 4.25Å |
| 392 | L | 93.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 150 | 179.9 | -65.1 | 179.3 | 0 | 0 | 0 | 111.1 | R373 E374 F379 F385 H387 H396 F397 | R373-L392 HydrophobicContact CB-CD2 4.18Å; E374-L392 HydrophobicContact CG-CD2 3.76Å; F379-L392 VanDerWaalsContact CE1-C 3.47Å; F385-L392 PolarHBondContact N-O 2.96Å; F385-L392 PolarHBondContact O-N 3.44Å; H387-L392 HydrophobicContact CB-CD1 3.63Å; L392-H396 HydrophobicContact CD2-CB 4.41Å; L392-F397 HydrophobicContact CB-CB 4.22Å; L392-F397 HydrophobicContact CD1-CB 4.47Å |
| 393 | C | 93 | Very high | 90 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | trans | -77.8 | 161 | 168.8 | 74.7 | 0 | 0 | 0 | 0 | 109.8 | C372 F379 N395 H396 F397 | C372-C393 HydrophobicContact CB-CB 4.1Å; C372-C393 PolarHBondContact SG-N 3.42Å; F379-C393 HydrophobicContact CD1-CB 4.47Å; F379-C393 HydrophobicContact CE1-CB 4.32Å; C393-N395 VanDerWaalsContact C-N 3.3Å; C393-N395 PolarHBondContact O-N 3.23Å; C393-H396 PolarHBondContact O-N 3.32Å; C393-H396 PolarHBondContact SG-ND1 3.07Å; C393-F397 PolarHBondContact O-N 2.95Å | ||
| 394 | E | 89.9 | Confident | 90.3 | Very high | 94 Ų | 94 | 55.2 Ų | 55.2 | 44% | 0.439 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -49.5 | -48.8 | -176.6 | -167 | 176 | 172.6 | 0 | 0 | 112.8 | F385 H396 F397 H398 P411 | F385-E394 HydrophobicContact CD2-CB 4.15Å; F385-E394 HydrophobicContact CD2-CG 4.49Å; F385-E394 HydrophobicContact CE2-CB 3.61Å; F385-E394 HydrophobicContact CE2-CG 3.65Å; F385-E394 HydrophobicContact CZ-CB 4.47Å; F385-E394 HydrophobicContact CZ-CG 4.02Å; E394-H396 PolarHBondContact O-N 3.13Å; E394-F397 PolarHBondContact O-N 3.23Å; E394-H398 WeakPolarHBondContact O-CB 3.41Å; E394-H398 PolarHBondContact O-CD2 3.48Å; E394-H398 VanDerWaalsContact O-CD2 3.26Å; E394-H398 PolarHBondContact O-N 2.84Å; E394-P411 HydrophobicContact CG-CG 4.1Å |
| 395 | N | 91 | Very high | 90.3 | Very high | 75 Ų | 75 | 55 Ų | 55 | 40% | 0.401 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 179.3 | -72.4 | -13.2 | 0 | 0 | 0 | 112.8 | C393 H398 A399 P411 | C393-N395 VanDerWaalsContact C-N 3.3Å; C393-N395 PolarHBondContact O-N 3.23Å; N395-H398 PolarHBondContact O-N 2.95Å; N395-A399 VanDerWaalsContact O-CB 3.31Å; N395-A399 WeakPolarHBondContact O-CB 3.42Å; N395-A399 PolarHBondContact O-N 3.26Å; N395-P411 WeakPolarHBondContact OD1-CD 3.27Å |
| 396 | H | 93 | Very high | 90.3 | Very high | 59 Ų | 59 | 56.4 Ų | 56.4 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74 | -37.1 | -178.7 | -72.6 | 113.5 | 0 | 0 | 0 | 112.8 | C372 E374 C375 L392 C393 E394 H398 A399 Q400 | C372-H396 PolarHBondContact SG-ND1 2.98Å; E374-H396 HydrophobicContact CB-CB 4.12Å; E374-H396 HydrophobicContact CG-CB 4.01Å; C375-H396 VanDerWaalsContact CB-CE1 3.47Å; C375-H396 WeakPolarHBondContact CB-CE1 3.3Å; C375-H396 PolarHBondContact SG-CE1 2.84Å; L392-H396 HydrophobicContact CD2-CB 4.41Å; C393-H396 PolarHBondContact O-N 3.32Å; C393-H396 PolarHBondContact SG-ND1 3.07Å; E394-H396 PolarHBondContact O-N 3.13Å; H396-H398 VanDerWaalsContact C-N 3.34Å; H396-H398 PolarHBondContact O-N 3.49Å; H396-A399 WeakPolarHBondContact O-CB 3.47Å; H396-A399 PolarHBondContact O-N 3.48Å; H396-Q400 PolarHBondContact O-N 3.35Å |
| 397 | F | 92.8 | Very high | 90.2 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.1 | -46.6 | 171.2 | 177.1 | -105.3 | 0 | 0 | 0 | 111.4 | F385 E386 H387 L392 C393 E394 A399 R401 | F385-F397 HydrophobicContact CB-CB 3.67Å; F385-F397 HydrophobicContact CB-CD1 3.96Å; F385-F397 HydrophobicContact CB-CD2 3.6Å; F385-F397 HydrophobicContact CB-CE1 4.45Å; F385-F397 HydrophobicContact CB-CE2 4.13Å; F385-F397 HydrophobicContact CB-CG 3.48Å; F385-F397 VanDerWaalsContact CB-CG 3.48Å; F385-F397 AromaticContact CD1-CD1 3.54Å; F385-F397 HydrophobicContact CD1-CD1 3.54Å; F385-F397 HydrophobicContact CD1-CD2 4.49Å; F385-F397 AromaticContact CD1-CE1 3.57Å; F385-F397 HydrophobicContact CD1-CE1 3.57Å; F385-F397 HydrophobicContact CD1-CG 4.01Å; F385-F397 HydrophobicContact CD1-CZ 4.07Å; F385-F397 HydrophobicContact CD2-CB 4.45Å; F385-F397 HydrophobicContact CE1-CD1 4.18Å; F385-F397 HydrophobicContact CE1-CE1 4.17Å; F385-F397 HydrophobicContact CG-CB 4.02Å; F385-F397 AromaticContact CG-CD1 3.77Å; F385-F397 HydrophobicContact CG-CD1 3.77Å; F385-F397 HydrophobicContact CG-CD2 4.33Å; F385-F397 HydrophobicContact CG-CE1 4.23Å; F385-F397 AromaticContact CG-CG 3.8Å; F385-F397 HydrophobicContact CG-CG 3.8Å; E386-F397 WeakPolarHBondContact O-CE2 3.5Å; H387-F397 HydrophobicContact CB-CD2 4.3Å; L392-F397 HydrophobicContact CB-CB 4.22Å; L392-F397 HydrophobicContact CD1-CB 4.47Å; C393-F397 PolarHBondContact O-N 2.95Å; E394-F397 PolarHBondContact O-N 3.23Å; F397-A399 VanDerWaalsContact C-N 3.34Å; F397-A399 PolarHBondContact O-N 3.35Å; F397-R401 VanDerWaalsContact CZ-NH1 3.3Å; F397-R401 WeakPolarHBondContact O-CB 3.36Å; F397-R401 WeakPolarHBondContact O-CG 3.38Å; F397-R401 PolarHBondContact O-N 2.84Å; F397-R401 VanDerWaalsContact O-N 3.13Å |
| 398 | H | 91.3 | Very high | 90.4 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 6% | 0.06 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.2 | -26.9 | 177.1 | -80.9 | -81.7 | 0 | 0 | 0 | 113.3 | E394 N395 H396 G402 S403 L404 P411 | E394-H398 WeakPolarHBondContact O-CB 3.41Å; E394-H398 PolarHBondContact O-CD2 3.48Å; E394-H398 VanDerWaalsContact O-CD2 3.26Å; E394-H398 PolarHBondContact O-N 2.84Å; N395-H398 PolarHBondContact O-N 2.95Å; H396-H398 VanDerWaalsContact C-N 3.34Å; H396-H398 PolarHBondContact O-N 3.49Å; H398-G402 PolarHBondContact O-N 3.49Å; H398-S403 VanDerWaalsContact CA-OG 3.27Å; H398-S403 WeakPolarHBondContact CA-OG 3.4Å; H398-S403 WeakPolarHBondContact CB-OG 3.37Å; H398-S403 PolarHBondContact ND1-OG 3.3Å; H398-S403 PolarHBondContact O-N 3.09Å; H398-S403 PolarHBondContact O-OG 2.82Å; H398-L404 HydrophobicContact CB-CD2 3.51Å; H398-L404 HydrophobicContact CB-CG 4.29Å; H398-P411 HydrophobicContact CB-CB 4.01Å; H398-P411 HydrophobicContact CB-CG 3.96Å |
| 399 | A | 90.8 | Very high | 90.6 | Very high | 46 Ų | 46 | 50.5 Ų | 50.5 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.5 | -54.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N395 H396 F397 R401 G402 L404 | N395-A399 VanDerWaalsContact O-CB 3.31Å; N395-A399 WeakPolarHBondContact O-CB 3.42Å; N395-A399 PolarHBondContact O-N 3.26Å; H396-A399 WeakPolarHBondContact O-CB 3.47Å; H396-A399 PolarHBondContact O-N 3.48Å; F397-A399 VanDerWaalsContact C-N 3.34Å; F397-A399 PolarHBondContact O-N 3.35Å; A399-R401 VanDerWaalsContact C-N 3.26Å; A399-R401 PolarHBondContact O-N 3.42Å; A399-G402 PolarHBondContact O-N 3.2Å; A399-L404 HydrophobicContact CB-CD1 3.65Å; A399-L404 HydrophobicContact CB-CG 4.32Å |
| 400 | Q | 87.9 | Confident | 90.9 | Very high | 85 Ų | 85 | 53.4 Ų | 53.4 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 178.5 | -72 | -177.4 | -14.9 | 0 | 0 | 111.8 | E374 H387 H396 G402 | E374-Q400 PolarHBondContact OE1-NE2 3.24Å; H387-Q400 PolarHBondContact CD2-OE1 3.17Å; H396-Q400 PolarHBondContact O-N 3.35Å; Q400-G402 PolarHBondContact O-N 3.39Å |
| 401 | R | 86.5 | Confident | 91 | Very high | 122 Ų | 122 | 46.9 Ų | 46.9 | 46% | 0.46 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 4.7 | 174.4 | -65.2 | -174.9 | 72.2 | 175.7 | 3.9 | 114.9 | F397 A399 S403 | F397-R401 VanDerWaalsContact CZ-NH1 3.3Å; F397-R401 WeakPolarHBondContact O-CB 3.36Å; F397-R401 WeakPolarHBondContact O-CG 3.38Å; F397-R401 PolarHBondContact O-N 2.84Å; F397-R401 VanDerWaalsContact O-N 3.13Å; A399-R401 VanDerWaalsContact C-N 3.26Å; A399-R401 PolarHBondContact O-N 3.42Å; R401-S403 VanDerWaalsContact C-N 3.3Å; R401-S403 PolarHBondContact O-N 3.46Å |
| 402 | G | 85.9 | Confident | 90.8 | Very high | 53 Ų | 53 | 47.2 Ų | 47.2 | 55% | 0.546 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | H398 A399 Q400 R423 | H398-G402 PolarHBondContact O-N 3.49Å; A399-G402 PolarHBondContact O-N 3.2Å; Q400-G402 PolarHBondContact O-N 3.39Å; G402-R423 WeakPolarHBondContact O-CD 3.44Å |
| 403 | S | 89.5 | Confident | 90.4 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 5% | 0.049 | 31% | 0.308 | C | S | . | . | trans | -119.5 | 7.1 | -168.2 | 60.6 | 0 | 0 | 0 | 0 | 115.3 | H398 R401 V412 | H398-S403 VanDerWaalsContact CA-OG 3.27Å; H398-S403 WeakPolarHBondContact CA-OG 3.4Å; H398-S403 WeakPolarHBondContact CB-OG 3.37Å; H398-S403 PolarHBondContact ND1-OG 3.3Å; H398-S403 PolarHBondContact O-N 3.09Å; H398-S403 PolarHBondContact O-OG 2.82Å; R401-S403 VanDerWaalsContact C-N 3.3Å; R401-S403 PolarHBondContact O-N 3.46Å; S403-V412 PolarHBondContact O-N 3.29Å | ||
| 404 | L | 93.1 | Very high | 90.1 | Very high | 47 Ų | 47 | 53.9 Ų | 53.9 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -75.6 | 149.5 | 170.1 | -58.5 | -178.5 | 0 | 0 | 0 | 111.8 | H398 A399 A406 G409 P411 | H398-L404 HydrophobicContact CB-CD2 3.51Å; H398-L404 HydrophobicContact CB-CG 4.29Å; A399-L404 HydrophobicContact CB-CD1 3.65Å; A399-L404 HydrophobicContact CB-CG 4.32Å; L404-A406 PolarHBondContact O-N 3.46Å; L404-G409 WeakPolarHBondContact CD2-O 3.27Å; L404-P411 HydrophobicContact CD2-CB 4.39Å; L404-P411 HydrophobicContact CD2-CG 3.92Å |
| 405 | C | 93.8 | Very high | 90 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.007 | 35% | 0.35 | C | S | . | . | B | Isolated β-bridge | trans | -73.4 | 123.8 | 172.5 | 177.6 | 0 | 0 | 0 | 0 | 110.3 | T407 C408 G409 L410 V412 R423 H428 | C405-T407 PolarHBondContact O-N 2.8Å; C405-T407 VanDerWaalsContact O-N 3.09Å; C405-T407 PolarHBondContact SG-N 2.91Å; C405-C408 VanDerWaalsContact CB-SG 3.54Å; C405-C408 PolarHBondContact O-N 2.85Å; C405-G409 WeakPolarHBondContact O-CA 3.33Å; C405-G409 PolarHBondContact O-N 3.23Å; C405-L410 WeakPolarHBondContact CB-O 3.33Å; C405-L410 PolarHBondContact N-O 3.3Å; C405-V412 HydrophobicContact CB-CG2 3.62Å; C405-R423 CarbonylContact C-O 3.56Å; C405-R423 WeakPolarHBondContact CA-O 3.36Å; C405-H428 PolarHBondContact SG-ND1 2.91Å |
| 406 | A | 90.6 | Very high | 90 | Very high | 47 Ų | 47 | 58.1 Ų | 58.1 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L404 R422 R423 F424 | L404-A406 PolarHBondContact O-N 3.46Å; A406-R422 HydrophobicContact CB-CB 3.94Å; A406-R422 HydrophobicContact CB-CG 4.32Å; A406-R423 PolarHBondContact N-O 2.8Å; A406-F424 HydrophobicContact CB-CD1 4.28Å; A406-F424 HydrophobicContact CB-CE1 3.73Å; A406-F424 HydrophobicContact CB-CZ 3.93Å |
| 407 | T | 89.8 | Confident | 89.9 | Confident | 88 Ų | 88 | 56.8 Ų | 56.8 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -40.4 | 177.5 | -50.1 | 0 | 0 | 0 | 0 | 113 | C405 F424 H428 | C405-T407 PolarHBondContact O-N 2.8Å; C405-T407 VanDerWaalsContact O-N 3.09Å; C405-T407 PolarHBondContact SG-N 2.91Å; T407-F424 WeakPolarHBondContact OG1-CD1 3.34Å; T407-H428 HydrophobicContact CG2-CB 4.29Å; T407-H428 PolarHBondContact OG1-O 3.5Å |
| 408 | C | 92.9 | Very high | 89.8 | Confident | 52 Ų | 52 | 60.3 Ų | 60.3 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -6.4 | -174.8 | 67.6 | 0 | 0 | 0 | 0 | 115.1 | C405 L410 H428 | C405-C408 VanDerWaalsContact CB-SG 3.54Å; C405-C408 PolarHBondContact O-N 2.85Å; C408-L410 PolarHBondContact O-N 2.84Å; C408-L410 VanDerWaalsContact O-N 3.17Å; C408-H428 PolarHBondContact SG-CE1 3.3Å; C408-H428 PolarHBondContact SG-ND1 3.31Å; C408-H428 VanDerWaalsContact SG-ND1 3.39Å |
| 409 | G | 90.8 | Very high | 89.7 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 40% | 0.402 | 37% | 0.37 | S | S | . | . | trans | 72.8 | -4.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L404 C405 | L404-G409 WeakPolarHBondContact CD2-O 3.27Å; C405-G409 WeakPolarHBondContact O-CA 3.33Å; C405-G409 PolarHBondContact O-N 3.23Å | ||
| 410 | L | 90.5 | Very high | 89.6 | Confident | 97 Ų | 97 | 59.8 Ų | 59.8 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -84.3 | 152.6 | -179.8 | -59.9 | 176.9 | 0 | 0 | 0 | 112.6 | C405 C408 V412 | C405-L410 WeakPolarHBondContact CB-O 3.33Å; C405-L410 PolarHBondContact N-O 3.3Å; C408-L410 PolarHBondContact O-N 2.84Å; C408-L410 VanDerWaalsContact O-N 3.17Å; L410-V412 PolarHBondContact O-N 3.31Å |
| 411 | P | 90.6 | Very high | 89.5 | Confident | 13 Ų | 13 | 60 Ų | 60 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -53.8 | 129.9 | 173.6 | -27.2 | 35.2 | 0 | 0 | 0 | 113.6 | E394 N395 H398 L404 T413 H425 | E394-P411 HydrophobicContact CG-CG 4.1Å; N395-P411 WeakPolarHBondContact OD1-CD 3.27Å; H398-P411 HydrophobicContact CB-CB 4.01Å; H398-P411 HydrophobicContact CB-CG 3.96Å; L404-P411 HydrophobicContact CD2-CB 4.39Å; L404-P411 HydrophobicContact CD2-CG 3.92Å; P411-T413 PolarHBondContact O-N 3.26Å; P411-H425 PolarHBondContact O-NE2 3.28Å |
| 412 | V | 89.8 | Confident | 89.7 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.042 | 39% | 0.393 | C | S | . | . | trans | -86.1 | 96 | 173.1 | -171.6 | 0 | 0 | 0 | 0 | 110 | S403 C405 L410 C416 | S403-V412 PolarHBondContact O-N 3.29Å; C405-V412 HydrophobicContact CB-CG2 3.62Å; L410-V412 PolarHBondContact O-N 3.31Å; V412-C416 HydrophobicContact CB-CB 4.28Å; V412-C416 HydrophobicContact CG1-CB 3.38Å | ||
| 413 | T | 84.7 | Confident | 90 | Very high | 100 Ų | 100 | 63.1 Ų | 63.1 | 61% | 0.613 | 38% | 0.381 | S | S | * | . | trans | -85.9 | 135.1 | 174.8 | 55.8 | 0 | 0 | 0 | 0 | 111 | P411 R415 | P411-T413 PolarHBondContact O-N 3.26Å; T413-R415 PolarHBondContact O-N 3.27Å | ||
| 414 | G | 86.6 | Confident | 90.1 | Very high | 72 Ų | 72 | 63.5 Ų | 63.5 | 74% | 0.742 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 71.9 | -123.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | C416 | G414-C416 PolarHBondContact O-N 2.97Š|
| 415 | R | 88.8 | Confident | 90.1 | Very high | 212 Ų | 212 | 63 Ų | 63 | 80% | 0.8 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -70.9 | 120.8 | -174.9 | -71.7 | -174.8 | -69.4 | 164.9 | -1 | 110.6 | T413 P426 | T413-R415 PolarHBondContact O-N 3.27Å; R415-P426 HydrophobicContact CB-CG 4.12Å; R415-P426 VanDerWaalsContact O-CD 3.28Å; R415-P426 WeakPolarHBondContact O-CD 3.24Å; R415-P426 WeakPolarHBondContact O-CG 3.43Å |
| 416 | C | 90.7 | Very high | 90 | Very high | 47 Ų | 47 | 64.2 Ų | 64.2 | 32% | 0.318 | 39% | 0.387 | S | S | . | . | trans | -119.2 | 151.8 | 173.6 | 67.8 | 0 | 0 | 0 | 0 | 112 | V412 G414 R423 F424 | V412-C416 HydrophobicContact CB-CB 4.28Å; V412-C416 HydrophobicContact CG1-CB 3.38Å; G414-C416 PolarHBondContact O-N 2.97Å; C416-R423 PolarHBondContact SG-NH2 3.14Å; C416-F424 WeakPolarHBondContact CA-O 3.45Å | ||
| 417 | V | 91.2 | Very high | 90 | Very high | 30 Ų | 30 | 67.8 Ų | 67.8 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124.4 | 162.8 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | A419 R423 F424 F429 T439 | V417-A419 HydrophobicContact CG1-CB 4.29Å; V417-R423 CarbonylContact O-C 3.53Å; V417-R423 WeakPolarHBondContact O-CA 3.41Å; V417-F424 HydrophobicContact CB-CB 4.38Å; V417-F424 PolarHBondContact N-O 2.98Å; V417-F424 PolarHBondContact O-N 3.4Å; V417-F429 HydrophobicContact CB-CB 4.03Å; V417-F429 HydrophobicContact CB-CD1 4.45Å; V417-F429 HydrophobicContact CB-CG 4.24Å; V417-F429 HydrophobicContact CG1-CB 4.1Å; V417-F429 HydrophobicContact CG1-CD1 3.62Å; V417-F429 HydrophobicContact CG1-CD2 4.37Å; V417-F429 HydrophobicContact CG1-CE1 4.13Å; V417-F429 HydrophobicContact CG1-CG 3.76Å; V417-F429 HydrophobicContact CG2-CB 4.12Å; V417-T439 HydrophobicContact CG2-CG2 3.71Å |
| 418 | S | 90.6 | Very high | 90.2 | Very high | 89 Ų | 89 | 66.6 Ų | 66.6 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 111 | 172.8 | -62.3 | 0 | 0 | 0 | 0 | 108.7 | R422 | S418-R422 WeakPolarHBondContact CA-O 3.49Å |
| 419 | A | 88.9 | Confident | 90.3 | Very high | 10 Ų | 10 | 64.2 Ų | 64.2 | 8% | 0.083 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 155.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V417 G421 R422 F424 F429 F443 | V417-A419 HydrophobicContact CG1-CB 4.29Å; A419-G421 PolarHBondContact O-N 2.82Å; A419-G421 VanDerWaalsContact O-N 3.09Å; A419-R422 PolarHBondContact N-O 3Å; A419-R422 CarbonylContact O-C 3.59Å; A419-R422 PolarHBondContact O-N 2.86Å; A419-F424 WeakPolarHBondContact O-CE2 3.39Å; A419-F429 HydrophobicContact CB-CD2 4.16Å; A419-F429 HydrophobicContact CB-CE1 4.28Å; A419-F429 HydrophobicContact CB-CE2 3.44Å; A419-F429 VanDerWaalsContact CB-CE2 3.44Å; A419-F429 HydrophobicContact CB-CZ 3.51Å; A419-F443 HydrophobicContact CB-CE1 4.26Å; A419-F443 HydrophobicContact CB-CZ 3.85Å |
| 420 | L | 87.7 | Confident | 90.4 | Very high | 38 Ų | 38 | 64.2 Ų | 64.2 | 20% | 0.199 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 28 | 176.2 | -41 | 172.5 | 0 | 0 | 0 | 113.5 | R422 F424 F429 F443 E445 P450 | L420-R422 PolarHBondContact O-N 3.28Å; L420-F424 HydrophobicContact CD1-CZ 4.32Å; L420-F429 HydrophobicContact CD1-CE2 4.29Å; L420-F429 HydrophobicContact CG-CE2 4.5Å; L420-F443 HydrophobicContact CD2-CE2 4.06Å; L420-E445 HydrophobicContact CD2-CB 3.92Å; L420-E445 HydrophobicContact CD2-CG 3.6Å; L420-E445 VanDerWaalsContact CD2-OE2 3.24Å; L420-E445 WeakPolarHBondContact CD2-OE2 3.47Å; L420-P450 HydrophobicContact CD1-CB 4.24Å; L420-P450 HydrophobicContact CD1-CG 4.1Å |
| 421 | G | 86.4 | Confident | 90.6 | Very high | 90 Ų | 90 | 59.6 Ų | 59.6 | 93% | 0.928 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 13.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A419 | A419-G421 PolarHBondContact O-N 2.82Å; A419-G421 VanDerWaalsContact O-N 3.09Å |
| 422 | R | 90.3 | Very high | 90.8 | Very high | 162 Ų | 162 | 61.7 Ų | 61.7 | 61% | 0.611 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 165.8 | -174.1 | -64.6 | 179.6 | -175.9 | -131 | -2.5 | 111.4 | A406 S418 A419 L420 F424 | A406-R422 HydrophobicContact CB-CB 3.94Å; A406-R422 HydrophobicContact CB-CG 4.32Å; S418-R422 WeakPolarHBondContact CA-O 3.49Å; A419-R422 PolarHBondContact N-O 3Å; A419-R422 CarbonylContact O-C 3.59Å; A419-R422 PolarHBondContact O-N 2.86Å; L420-R422 PolarHBondContact O-N 3.28Å; R422-F424 HydrophobicContact CB-CE2 3.81Å; R422-F424 HydrophobicContact CB-CZ 4.08Å |
| 423 | R | 91.7 | Very high | 90.9 | Very high | 77 Ų | 77 | 67.5 Ų | 67.5 | 29% | 0.291 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 146.1 | 176.2 | -64.6 | -179.6 | 72 | -170.3 | -2.6 | 110.9 | G402 C405 A406 C416 V417 | G402-R423 WeakPolarHBondContact O-CD 3.44Å; C405-R423 CarbonylContact C-O 3.56Å; C405-R423 WeakPolarHBondContact CA-O 3.36Å; A406-R423 PolarHBondContact N-O 2.8Å; C416-R423 PolarHBondContact SG-NH2 3.14Å; V417-R423 CarbonylContact O-C 3.53Å; V417-R423 WeakPolarHBondContact O-CA 3.41Å |
| 424 | F | 92.6 | Very high | 91.4 | Very high | 16 Ų | 16 | 64.8 Ų | 64.8 | 7% | 0.07 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 150.4 | -177.6 | -59.4 | -92.8 | 0 | 0 | 0 | 110.8 | A406 T407 C416 V417 A419 L420 R422 F429 | A406-F424 HydrophobicContact CB-CD1 4.28Å; A406-F424 HydrophobicContact CB-CE1 3.73Å; A406-F424 HydrophobicContact CB-CZ 3.93Å; T407-F424 WeakPolarHBondContact OG1-CD1 3.34Å; C416-F424 WeakPolarHBondContact CA-O 3.45Å; V417-F424 HydrophobicContact CB-CB 4.38Å; V417-F424 PolarHBondContact N-O 2.98Å; V417-F424 PolarHBondContact O-N 3.4Å; A419-F424 WeakPolarHBondContact O-CE2 3.39Å; L420-F424 HydrophobicContact CD1-CZ 4.32Å; R422-F424 HydrophobicContact CB-CE2 3.81Å; R422-F424 HydrophobicContact CB-CZ 4.08Å; F424-F429 HydrophobicContact CB-CB 3.92Å; F424-F429 HydrophobicContact CD1-CD2 4.44Å; F424-F429 AromaticContact CD2-CD2 3.79Å; F424-F429 HydrophobicContact CD2-CD2 3.79Å; F424-F429 HydrophobicContact CD2-CE2 4.46Å; F424-F429 HydrophobicContact CE2-CD2 4.02Å; F424-F429 HydrophobicContact CE2-CE2 4.34Å; F424-F429 HydrophobicContact CG-CB 4.25Å; F424-F429 HydrophobicContact CG-CD2 4.02Å; F424-F429 HydrophobicContact CZ-CD2 4.45Å |
| 425 | H | 93.1 | Very high | 91.7 | Very high | 36 Ų | 36 | 67.2 Ų | 67.2 | 17% | 0.167 | 36% | 0.357 | C | S | . | . | trans | -62.7 | 149.9 | 158.7 | -64.5 | 116.3 | 0 | 0 | 0 | 109.7 | P411 D427 H428 F429 | P411-H425 PolarHBondContact O-NE2 3.28Å; H425-D427 PolarHBondContact O-N 2.85Å; H425-H428 HydrophobicContact CB-CB 3.99Å; H425-H428 AromaticContact CG-ND1 3.99Å; H425-H428 AromaticContact ND1-CE1 3.57Å; H425-H428 AromaticContact ND1-ND1 3.29Å; H425-H428 PolarHBondContact ND1-ND1 3.42Å; H425-H428 PolarHBondContact O-N 3.09Å; H425-F429 PolarHBondContact O-N 2.83Å; H425-F429 VanDerWaalsContact O-N 3.16Å | ||
| 426 | P | 91.2 | Very high | 91.8 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -39 | 177.6 | -27.7 | 37.2 | 0 | 0 | 0 | 113 | R415 H428 T439 | R415-P426 HydrophobicContact CB-CG 4.12Å; R415-P426 VanDerWaalsContact O-CD 3.28Å; R415-P426 WeakPolarHBondContact O-CD 3.24Å; R415-P426 WeakPolarHBondContact O-CG 3.43Å; P426-H428 VanDerWaalsContact C-N 3.35Å; P426-T439 HydrophobicContact CB-CG2 3.91Å; P426-T439 WeakPolarHBondContact O-CG2 3.24Å |
| 427 | D | 91.5 | Very high | 91.9 | Very high | 121 Ų | 121 | 66.7 Ų | 66.7 | 65% | 0.647 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -9.7 | -178.9 | -49.2 | -58 | 0 | 0 | 0 | 113.2 | H425 T430 | H425-D427 PolarHBondContact O-N 2.85Å; D427-T430 VanDerWaalsContact O-CG2 3.26Å; D427-T430 WeakPolarHBondContact O-CG2 3.38Å |
| 428 | H | 93.4 | Very high | 91.9 | Very high | 64 Ų | 64 | 66 Ų | 66 | 30% | 0.296 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -12.2 | 177 | -69.6 | -177.3 | 0 | 0 | 0 | 113.4 | C405 T407 C408 H425 P426 T430 | C405-H428 PolarHBondContact SG-ND1 2.91Å; T407-H428 HydrophobicContact CG2-CB 4.29Å; T407-H428 PolarHBondContact OG1-O 3.5Å; C408-H428 PolarHBondContact SG-CE1 3.3Å; C408-H428 PolarHBondContact SG-ND1 3.31Å; C408-H428 VanDerWaalsContact SG-ND1 3.39Å; H425-H428 HydrophobicContact CB-CB 3.99Å; H425-H428 AromaticContact CG-ND1 3.99Å; H425-H428 AromaticContact ND1-CE1 3.57Å; H425-H428 AromaticContact ND1-ND1 3.29Å; H425-H428 PolarHBondContact ND1-ND1 3.42Å; H425-H428 PolarHBondContact O-N 3.09Å; P426-H428 VanDerWaalsContact C-N 3.35Å; H428-T430 PolarHBondContact O-N 3.24Å |
| 429 | F | 94.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.009 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -88.4 | 78.5 | 171 | -169.1 | -112.3 | 0 | 0 | 0 | 110 | V417 A419 L420 F424 H425 L438 F443 P450 | V417-F429 HydrophobicContact CB-CB 4.03Å; V417-F429 HydrophobicContact CB-CD1 4.45Å; V417-F429 HydrophobicContact CB-CG 4.24Å; V417-F429 HydrophobicContact CG1-CB 4.1Å; V417-F429 HydrophobicContact CG1-CD1 3.62Å; V417-F429 HydrophobicContact CG1-CD2 4.37Å; V417-F429 HydrophobicContact CG1-CE1 4.13Å; V417-F429 HydrophobicContact CG1-CG 3.76Å; V417-F429 HydrophobicContact CG2-CB 4.12Å; A419-F429 HydrophobicContact CB-CD2 4.16Å; A419-F429 HydrophobicContact CB-CE1 4.28Å; A419-F429 HydrophobicContact CB-CE2 3.44Å; A419-F429 VanDerWaalsContact CB-CE2 3.44Å; A419-F429 HydrophobicContact CB-CZ 3.51Å; L420-F429 HydrophobicContact CD1-CE2 4.29Å; L420-F429 HydrophobicContact CG-CE2 4.5Å; F424-F429 HydrophobicContact CB-CB 3.92Å; F424-F429 HydrophobicContact CD1-CD2 4.44Å; F424-F429 AromaticContact CD2-CD2 3.79Å; F424-F429 HydrophobicContact CD2-CD2 3.79Å; F424-F429 HydrophobicContact CD2-CE2 4.46Å; F424-F429 HydrophobicContact CE2-CD2 4.02Å; F424-F429 HydrophobicContact CE2-CE2 4.34Å; F424-F429 HydrophobicContact CG-CB 4.25Å; F424-F429 HydrophobicContact CG-CD2 4.02Å; F424-F429 HydrophobicContact CZ-CD2 4.45Å; H425-F429 PolarHBondContact O-N 2.83Å; H425-F429 VanDerWaalsContact O-N 3.16Å; F429-L438 HydrophobicContact CD1-CB 3.55Å; F429-L438 HydrophobicContact CE1-CB 3.49Å; F429-L438 VanDerWaalsContact CE1-CB 3.49Å; F429-L438 HydrophobicContact CE1-CD1 4.19Å; F429-L438 HydrophobicContact CZ-CB 4.47Å; F429-L438 HydrophobicContact CZ-CD1 4.41Å; F429-L438 PolarHBondContact O-N 3Å; F429-F443 AromaticContact CE1-CD1 3.68Å; F429-F443 HydrophobicContact CE1-CD1 3.68Å; F429-F443 AromaticContact CE1-CE1 3.91Å; F429-F443 HydrophobicContact CE1-CE1 3.91Å; F429-F443 HydrophobicContact CE1-CG 4.05Å; F429-F443 HydrophobicContact CE1-CZ 4.46Å; F429-F443 AromaticContact CZ-CD1 3.76Å; F429-F443 HydrophobicContact CZ-CD1 3.76Å; F429-F443 AromaticContact CZ-CD2 3.93Å; F429-F443 HydrophobicContact CZ-CD2 3.93Å; F429-F443 AromaticContact CZ-CE1 3.73Å; F429-F443 HydrophobicContact CZ-CE1 3.73Å; F429-F443 AromaticContact CZ-CE2 3.91Å; F429-F443 HydrophobicContact CZ-CE2 3.91Å; F429-F443 AromaticContact CZ-CG 3.87Å; F429-F443 HydrophobicContact CZ-CG 3.87Å; F429-F443 AromaticContact CZ-CZ 3.82Å; F429-F443 HydrophobicContact CZ-CZ 3.82Å; F429-P450 HydrophobicContact CD2-CG 4.43Å; F429-P450 HydrophobicContact CE2-CB 3.78Å; F429-P450 HydrophobicContact CE2-CG 3.87Å; F429-P450 HydrophobicContact CZ-CB 3.8Å; F429-P450 HydrophobicContact CZ-CG 4.36Å |
| 430 | T | 94.5 | Very high | 91.1 | Very high | 38 Ų | 38 | 73.8 Ų | 73.8 | 23% | 0.233 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -112.8 | 157 | -174.7 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | D427 H428 T432 L435 R436 P437 | D427-T430 VanDerWaalsContact O-CG2 3.26Å; D427-T430 WeakPolarHBondContact O-CG2 3.38Å; H428-T430 PolarHBondContact O-N 3.24Å; T430-T432 PolarHBondContact O-N 2.95Å; T430-L435 WeakPolarHBondContact CB-O 3.3Å; T430-L435 VanDerWaalsContact CG2-O 3.3Å; T430-L435 WeakPolarHBondContact CG2-O 3.36Å; T430-R436 CarbonylContact C-O 3.59Å; T430-R436 WeakPolarHBondContact CA-O 3.26Å; T430-P437 HydrophobicContact CG2-CG 4.46Å |
| 431 | C | 94.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.4 | C | S | . | . | trans | -65.9 | 126 | 173.5 | 175 | 0 | 0 | 0 | 0 | 111 | F433 C434 L435 R436 L438 C452 C455 | C431-F433 PolarHBondContact O-N 3.16Å; C431-F433 PolarHBondContact SG-N 3.46Å; C431-C434 VanDerWaalsContact CB-SG 3.51Å; C431-C434 PolarHBondContact O-N 3.46Å; C431-C434 VanDerWaalsContact SG-SG 3.61Å; C431-L435 VanDerWaalsContact O-CA 3.24Å; C431-L435 WeakPolarHBondContact O-CA 3.16Å; C431-L435 PolarHBondContact O-N 3.38Å; C431-R436 PolarHBondContact N-O 2.88Å; C431-L438 HydrophobicContact CB-CD1 4.16Å; C431-L438 HydrophobicContact CB-CD2 4.12Å; C431-L438 HydrophobicContact CB-CG 4.19Å; C431-C452 HydrophobicContact CB-CB 4.07Å; C431-C452 PolarHBondContact SG-N 3.31Å; C431-C455 PolarHBondContact SG-SG 2.86Å | ||
| 432 | T | 93.8 | Very high | 90.6 | Very high | 58 Ų | 58 | 74.9 Ų | 74.9 | 36% | 0.356 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.6 | 179.9 | -49.2 | 0 | 0 | 0 | 0 | 113.9 | T430 K449 P450 Y451 | T430-T432 PolarHBondContact O-N 2.95Å; T432-K449 HydrophobicContact CG2-CB 4.36Å; T432-K449 HydrophobicContact CG2-CD 4.26Å; T432-K449 HydrophobicContact CG2-CG 4.35Å; T432-P450 PolarHBondContact N-O 2.9Å; T432-P450 WeakPolarHBondContact OG1-CD 3.25Å; T432-P450 PolarHBondContact OG1-O 3.18Å; T432-Y451 HydrophobicContact CG2-CE1 4.47Å |
| 433 | F | 93.3 | Very high | 90.7 | Very high | 129 Ų | 129 | 70.4 Ų | 70.4 | 57% | 0.566 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -45.7 | -179 | -176.4 | -104.7 | 0 | 0 | 0 | 114.3 | C431 Y451 C455 L459 | C431-F433 PolarHBondContact O-N 3.16Å; C431-F433 PolarHBondContact SG-N 3.46Å; F433-Y451 HydrophobicContact CB-CD1 4.44Å; F433-C455 HydrophobicContact CB-CB 4.39Å; F433-C455 HydrophobicContact CD1-CB 4.41Å; F433-L459 HydrophobicContact CB-CD1 3.91Å; F433-L459 HydrophobicContact CD1-CD1 4.48Å; F433-L459 HydrophobicContact CD2-CD1 3.87Å; F433-L459 HydrophobicContact CD2-CD2 4.21Å; F433-L459 HydrophobicContact CE2-CD2 4.1Å; F433-L459 HydrophobicContact CG-CD1 3.83Å |
| 434 | C | 94.6 | Very high | 90.7 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 29% | 0.291 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 1.4 | -173 | 74.8 | 0 | 0 | 0 | 0 | 114.5 | C431 R436 C455 | C431-C434 VanDerWaalsContact CB-SG 3.51Å; C431-C434 PolarHBondContact O-N 3.46Å; C431-C434 VanDerWaalsContact SG-SG 3.61Å; C434-R436 PolarHBondContact O-N 2.84Å; C434-C455 PolarHBondContact SG-SG 2.93Å |
| 435 | L | 92.8 | Very high | 90.6 | Very high | 123 Ų | 123 | 74.3 Ų | 74.3 | 64% | 0.644 | 39% | 0.392 | S | S | * | . | trans | 55.2 | 6.6 | 179.8 | -53.8 | 179.4 | 0 | 0 | 0 | 116.2 | T430 C431 | T430-L435 WeakPolarHBondContact CB-O 3.3Å; T430-L435 VanDerWaalsContact CG2-O 3.3Å; T430-L435 WeakPolarHBondContact CG2-O 3.36Å; C431-L435 VanDerWaalsContact O-CA 3.24Å; C431-L435 WeakPolarHBondContact O-CA 3.16Å; C431-L435 PolarHBondContact O-N 3.38Å | ||
| 436 | R | 91.9 | Very high | 90.5 | Very high | 180 Ų | 180 | 78.6 Ų | 78.6 | 68% | 0.679 | 41% | 0.407 | S | S | * | . | trans | -66.9 | 137.4 | 174.3 | -64.4 | -179 | -173.8 | 176.4 | 0.2 | 110.5 | T430 C431 C434 L438 | T430-R436 CarbonylContact C-O 3.59Å; T430-R436 WeakPolarHBondContact CA-O 3.26Å; C431-R436 PolarHBondContact N-O 2.88Å; C434-R436 PolarHBondContact O-N 2.84Å; R436-L438 PolarHBondContact O-N 3.37Å | ||
| 437 | P | 91.8 | Very high | 90.4 | Very high | 67 Ų | 67 | 81.2 Ų | 81.2 | 44% | 0.435 | 43% | 0.431 | S | S | . | . | B | Isolated β-bridge | trans | -55.7 | 133.2 | 171.3 | -26.3 | 35 | 0 | 0 | 0 | 111.8 | T430 T439 | T430-P437 HydrophobicContact CG2-CG 4.46Å; P437-T439 VanDerWaalsContact C-N 3.32Å |
| 438 | L | 91.4 | Very high | 90.2 | Very high | 15 Ų | 15 | 79.9 Ų | 79.9 | 8% | 0.079 | 43% | 0.431 | C | S | . | . | trans | -96.7 | 17.6 | 179.3 | -67.1 | 172.9 | 0 | 0 | 0 | 112.2 | F429 C431 R436 K440 F443 P450 C452 | F429-L438 HydrophobicContact CD1-CB 3.55Å; F429-L438 HydrophobicContact CE1-CB 3.49Å; F429-L438 VanDerWaalsContact CE1-CB 3.49Å; F429-L438 HydrophobicContact CE1-CD1 4.19Å; F429-L438 HydrophobicContact CZ-CB 4.47Å; F429-L438 HydrophobicContact CZ-CD1 4.41Å; F429-L438 PolarHBondContact O-N 3Å; C431-L438 HydrophobicContact CB-CD1 4.16Å; C431-L438 HydrophobicContact CB-CD2 4.12Å; C431-L438 HydrophobicContact CB-CG 4.19Å; R436-L438 PolarHBondContact O-N 3.37Å; L438-K440 VanDerWaalsContact C-N 3.25Å; L438-K440 PolarHBondContact O-N 2.82Å; L438-F443 HydrophobicContact CB-CB 4.35Å; L438-F443 HydrophobicContact CD1-CB 3.88Å; L438-F443 HydrophobicContact CD2-CB 4.21Å; L438-F443 HydrophobicContact CG-CB 4.39Å; L438-P450 HydrophobicContact CD1-CB 3.71Å; L438-P450 HydrophobicContact CD1-CG 4.25Å; L438-C452 HydrophobicContact CD2-CB 3.79Å | ||
| 439 | T | 85 | Confident | 90.1 | Very high | 67 Ų | 67 | 81.8 Ų | 81.8 | 41% | 0.411 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -71.4 | -15.5 | 177.3 | 47.9 | 0 | 0 | 0 | 0 | 114.1 | V417 P426 P437 | V417-T439 HydrophobicContact CG2-CG2 3.71Å; P426-T439 HydrophobicContact CB-CG2 3.91Å; P426-T439 WeakPolarHBondContact O-CG2 3.24Å; P437-T439 VanDerWaalsContact C-N 3.32Å |
| 440 | K | 78.2 | Confident | 90 | Very high | 196 Ų | 196 | 82.5 Ų | 82.5 | 85% | 0.852 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -124.7 | 94.9 | -178.8 | -65.1 | -177.3 | -178.4 | 179.3 | 0 | 110.2 | L438 | L438-K440 VanDerWaalsContact C-N 3.25Å; L438-K440 PolarHBondContact O-N 2.82Å |
| 441 | G | 77.4 | Confident | 90 | Very high | 65 Ų | 65 | 81.8 Ų | 81.8 | 67% | 0.67 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 118.6 | -176.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 442 | S | 85.7 | Confident | 90 | Very high | 87 Ų | 87 | 82.7 Ų | 82.7 | 61% | 0.608 | 44% | 0.442 | S | S | * | . | trans | -79.2 | 148.4 | 172.4 | 52.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 443 | F | 91.7 | Very high | 90 | Very high | 68 Ų | 68 | 83.2 Ų | 83.2 | 30% | 0.298 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 161.3 | 169.1 | 69.8 | -87.1 | 0 | 0 | 0 | 109.6 | A419 L420 F429 L438 P450 Y451 | A419-F443 HydrophobicContact CB-CE1 4.26Å; A419-F443 HydrophobicContact CB-CZ 3.85Å; L420-F443 HydrophobicContact CD2-CE2 4.06Å; F429-F443 AromaticContact CE1-CD1 3.68Å; F429-F443 HydrophobicContact CE1-CD1 3.68Å; F429-F443 AromaticContact CE1-CE1 3.91Å; F429-F443 HydrophobicContact CE1-CE1 3.91Å; F429-F443 HydrophobicContact CE1-CG 4.05Å; F429-F443 HydrophobicContact CE1-CZ 4.46Å; F429-F443 AromaticContact CZ-CD1 3.76Å; F429-F443 HydrophobicContact CZ-CD1 3.76Å; F429-F443 AromaticContact CZ-CD2 3.93Å; F429-F443 HydrophobicContact CZ-CD2 3.93Å; F429-F443 AromaticContact CZ-CE1 3.73Å; F429-F443 HydrophobicContact CZ-CE1 3.73Å; F429-F443 AromaticContact CZ-CE2 3.91Å; F429-F443 HydrophobicContact CZ-CE2 3.91Å; F429-F443 AromaticContact CZ-CG 3.87Å; F429-F443 HydrophobicContact CZ-CG 3.87Å; F429-F443 AromaticContact CZ-CZ 3.82Å; F429-F443 HydrophobicContact CZ-CZ 3.82Å; L438-F443 HydrophobicContact CB-CB 4.35Å; L438-F443 HydrophobicContact CD1-CB 3.88Å; L438-F443 HydrophobicContact CD2-CB 4.21Å; L438-F443 HydrophobicContact CG-CB 4.39Å; F443-P450 HydrophobicContact CD2-CB 4.08Å; F443-Y451 WeakPolarHBondContact CA-O 3.45Å |
| 444 | Q | 91.8 | Very high | 90 | Very high | 71 Ų | 71 | 81 Ų | 81 | 33% | 0.332 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.9 | 170.8 | -63.9 | -66.1 | -12.5 | 0 | 0 | 109.6 | Y451 F456 | Q444-Y451 PolarHBondContact N-O 3.36Å; Q444-Y451 PolarHBondContact O-N 2.05Å; Q444-F456 HydrophobicContact CB-CB 3.86Å; Q444-F456 HydrophobicContact CB-CD1 4.18Å; Q444-F456 HydrophobicContact CB-CD2 3.21Å; Q444-F456 HydrophobicContact CB-CE2 3.67Å; Q444-F456 HydrophobicContact CB-CG 3.49Å; Q444-F456 VanDerWaalsContact CB-CG 3.49Å; Q444-F456 HydrophobicContact CB-CZ 4.33Å; Q444-F456 HydrophobicContact CG-CB 3.96Å; Q444-F456 HydrophobicContact CG-CD1 3.97Å; Q444-F456 HydrophobicContact CG-CD2 3.94Å; Q444-F456 HydrophobicContact CG-CE1 4.44Å; Q444-F456 HydrophobicContact CG-CE2 4.38Å; Q444-F456 HydrophobicContact CG-CG 3.69Å |
| 445 | E | 91.1 | Very high | 90 | Very high | 103 Ų | 103 | 79.3 Ų | 79.3 | 48% | 0.481 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.3 | 173.3 | 178.4 | 176.3 | -180 | 0 | 0 | 110.2 | L420 S448 | L420-E445 HydrophobicContact CD2-CB 3.92Å; L420-E445 HydrophobicContact CD2-CG 3.6Å; L420-E445 VanDerWaalsContact CD2-OE2 3.24Å; L420-E445 WeakPolarHBondContact CD2-OE2 3.47Å; E445-S448 WeakPolarHBondContact OE1-CA 3.28Å |
| 446 | R | 90.9 | Very high | 90 | Very high | 127 Ų | 127 | 75.4 Ų | 75.4 | 48% | 0.479 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 127.7 | 162.3 | -169.8 | 165.6 | 177.3 | 159.1 | -1.1 | 109.5 | S448 K449 Y451 F456 F460 | R446-S448 PolarHBondContact O-N 3.06Å; R446-K449 PolarHBondContact N-O 3.44Å; R446-K449 WeakPolarHBondContact O-CB 3.45Å; R446-K449 PolarHBondContact O-N 2.88Å; R446-K449 VanDerWaalsContact O-N 3.14Å; R446-Y451 HydrophobicContact CB-CD2 4.44Å; R446-Y451 HydrophobicContact CB-CE2 4.09Å; R446-F456 HydrophobicContact CB-CE2 4.14Å; R446-F460 HydrophobicContact CB-CE2 4.26Å; R446-F460 VanDerWaalsContact NH1-CD1 3.26Å |
| 447 | A | 89.4 | Confident | 90.1 | Very high | 82 Ų | 82 | 71.1 Ų | 71.1 | 68% | 0.678 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 55.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K449 | A447-K449 PolarHBondContact O-N 3.33Š|
| 448 | S | 87.2 | Confident | 90.2 | Very high | 93 Ų | 93 | 76.3 Ų | 76.3 | 65% | 0.65 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 22 | -178.7 | 63.2 | 0 | 0 | 0 | 0 | 116.3 | E445 R446 | E445-S448 WeakPolarHBondContact OE1-CA 3.28Å; R446-S448 PolarHBondContact O-N 3.06Å |
| 449 | K | 90.9 | Very high | 90.2 | Very high | 104 Ų | 104 | 79.1 Ų | 79.1 | 45% | 0.452 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.5 | 176.2 | -72.9 | 163.5 | -179.8 | -66.9 | 0 | 110 | T432 R446 A447 Y451 | T432-K449 HydrophobicContact CG2-CB 4.36Å; T432-K449 HydrophobicContact CG2-CD 4.26Å; T432-K449 HydrophobicContact CG2-CG 4.35Å; R446-K449 PolarHBondContact N-O 3.44Å; R446-K449 WeakPolarHBondContact O-CB 3.45Å; R446-K449 PolarHBondContact O-N 2.88Å; R446-K449 VanDerWaalsContact O-N 3.14Å; A447-K449 PolarHBondContact O-N 3.33Å; K449-Y451 HydrophobicContact CB-CE2 3.65Å; K449-Y451 WeakPolarHBondContact O-CD2 3.42Å; K449-Y451 VanDerWaalsContact O-CE2 3.24Å; K449-Y451 WeakPolarHBondContact O-CE2 3.24Å |
| 450 | P | 93 | Very high | 90.6 | Very high | 16 Ų | 16 | 79.2 Ų | 79.2 | 10% | 0.104 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 141.9 | 179 | 35.8 | -34.2 | 0 | 0 | 0 | 111.3 | L420 F429 T432 L438 F443 | L420-P450 HydrophobicContact CD1-CB 4.24Å; L420-P450 HydrophobicContact CD1-CG 4.1Å; F429-P450 HydrophobicContact CD2-CG 4.43Å; F429-P450 HydrophobicContact CE2-CB 3.78Å; F429-P450 HydrophobicContact CE2-CG 3.87Å; F429-P450 HydrophobicContact CZ-CB 3.8Å; F429-P450 HydrophobicContact CZ-CG 4.36Å; T432-P450 PolarHBondContact N-O 2.9Å; T432-P450 WeakPolarHBondContact OG1-CD 3.25Å; T432-P450 PolarHBondContact OG1-O 3.18Å; L438-P450 HydrophobicContact CD1-CB 3.71Å; L438-P450 HydrophobicContact CD1-CG 4.25Å; F443-P450 HydrophobicContact CD2-CB 4.08Å |
| 451 | Y | 94.3 | Very high | 90.8 | Very high | 24 Ų | 24 | 75.2 Ų | 75.2 | 9% | 0.094 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.2 | -178.6 | -63 | -90.2 | 0 | 0 | 0 | 111.3 | T432 F433 F443 Q444 R446 K449 L459 F460 | T432-Y451 HydrophobicContact CG2-CE1 4.47Å; F433-Y451 HydrophobicContact CB-CD1 4.44Å; F443-Y451 WeakPolarHBondContact CA-O 3.45Å; Q444-Y451 PolarHBondContact N-O 3.36Å; Q444-Y451 PolarHBondContact O-N 2.05Å; R446-Y451 HydrophobicContact CB-CD2 4.44Å; R446-Y451 HydrophobicContact CB-CE2 4.09Å; K449-Y451 HydrophobicContact CB-CE2 3.65Å; K449-Y451 WeakPolarHBondContact O-CD2 3.42Å; K449-Y451 VanDerWaalsContact O-CE2 3.24Å; K449-Y451 WeakPolarHBondContact O-CE2 3.24Å; Y451-L459 HydrophobicContact CD1-CD1 4.07Å; Y451-L459 HydrophobicContact CE1-CD1 3.99Å; Y451-F460 HydrophobicContact CD1-CE2 4.15Å; Y451-F460 HydrophobicContact CD2-CE2 4.07Å; Y451-F460 AromaticContact CE1-CE2 3.92Å; Y451-F460 HydrophobicContact CE1-CE2 3.92Å; Y451-F460 HydrophobicContact CE1-CZ 4.26Å; Y451-F460 AromaticContact CE2-CE2 3.86Å; Y451-F460 HydrophobicContact CE2-CE2 3.86Å; Y451-F460 HydrophobicContact CE2-CZ 4.31Å; Y451-F460 HydrophobicContact CG-CE2 4.22Å; Y451-F460 AromaticContact CZ-CE2 3.78Å; Y451-F460 AromaticContact CZ-CZ 3.95Å |
| 452 | C | 94.4 | Very high | 91.5 | Very high | 18 Ų | 18 | 75.8 Ų | 75.8 | 12% | 0.122 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 144.7 | 169.6 | 93.9 | 0 | 0 | 0 | 0 | 109.9 | C431 L438 P454 C455 F456 | C431-C452 HydrophobicContact CB-CB 4.07Å; C431-C452 PolarHBondContact SG-N 3.31Å; L438-C452 HydrophobicContact CD2-CB 3.79Å; C452-P454 VanDerWaalsContact SG-CD 3.6Å; C452-C455 HydrophobicContact CB-CB 4.04Å; C452-C455 WeakPolarHBondContact CB-SG 3.23Å; C452-C455 CarbonylContact O-C 3.55Å; C452-C455 WeakPolarHBondContact O-CA 3.22Å; C452-C455 VanDerWaalsContact O-CB 3.23Å; C452-C455 WeakPolarHBondContact O-CB 3.41Å; C452-C455 PolarHBondContact O-N 3.13Å; C452-C455 WeakPolarHBondContact SG-CB 3.21Å; C452-C455 PolarHBondContact SG-N 3.23Å; C452-C455 CovalentContact SG-SG 2.05Å; C452-C455 PolarHBondContact SG-SG 3.29Å; C452-F456 PolarHBondContact O-N 3.15Å |
| 453 | Q | 92.7 | Very high | 91.8 | Very high | 69 Ų | 69 | 75.2 Ų | 75.2 | 32% | 0.322 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -51.6 | -46.2 | -179.5 | -179 | 74.6 | 5.2 | 0 | 0 | 113.1 | C455 F456 L457 | Q453-C455 VanDerWaalsContact C-N 3.27Å; Q453-C455 PolarHBondContact O-N 3.41Å; Q453-F456 PolarHBondContact O-N 3.14Å; Q453-L457 HydrophobicContact CG-CD1 4.42Å; Q453-L457 WeakPolarHBondContact O-CG 3.31Å; Q453-L457 PolarHBondContact O-N 3.37Å; Q453-L457 VanDerWaalsContact O-N 3.14Å |
| 454 | P | 92.9 | Very high | 91.8 | Very high | 83 Ų | 83 | 75.6 Ų | 75.6 | 54% | 0.539 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.9 | -28.9 | 172.1 | -24.7 | 33 | 0 | 0 | 0 | 115.2 | C452 K458 | C452-P454 VanDerWaalsContact SG-CD 3.6Å; P454-K458 WeakPolarHBondContact O-CB 3.49Å; P454-K458 WeakPolarHBondContact O-CD 3.49Å; P454-K458 WeakPolarHBondContact O-CG 3.4Å; P454-K458 PolarHBondContact O-N 2.82Å |
| 455 | C | 94.8 | Very high | 91.8 | Very high | 8 Ų | 8 | 75.8 Ų | 75.8 | 5% | 0.054 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -78.1 | -43 | -178.9 | -52.4 | 0 | 0 | 0 | 0 | 110.5 | C431 F433 C434 C452 Q453 K458 L459 | C431-C455 PolarHBondContact SG-SG 2.86Å; F433-C455 HydrophobicContact CB-CB 4.39Å; F433-C455 HydrophobicContact CD1-CB 4.41Å; C434-C455 PolarHBondContact SG-SG 2.93Å; C452-C455 HydrophobicContact CB-CB 4.04Å; C452-C455 WeakPolarHBondContact CB-SG 3.23Å; C452-C455 CarbonylContact O-C 3.55Å; C452-C455 WeakPolarHBondContact O-CA 3.22Å; C452-C455 VanDerWaalsContact O-CB 3.23Å; C452-C455 WeakPolarHBondContact O-CB 3.41Å; C452-C455 PolarHBondContact O-N 3.13Å; C452-C455 WeakPolarHBondContact SG-CB 3.21Å; C452-C455 PolarHBondContact SG-N 3.23Å; C452-C455 CovalentContact SG-SG 2.05Å; C452-C455 PolarHBondContact SG-SG 3.29Å; Q453-C455 VanDerWaalsContact C-N 3.27Å; Q453-C455 PolarHBondContact O-N 3.41Å; C455-K458 PolarHBondContact O-N 3.05Å; C455-L459 WeakPolarHBondContact O-CB 3.2Å; C455-L459 VanDerWaalsContact O-CG 3.25Å; C455-L459 WeakPolarHBondContact O-CG 3.43Å; C455-L459 PolarHBondContact O-N 2.83Å; C455-L459 VanDerWaalsContact O-N 3.14Å |
| 456 | F | 94.4 | Very high | 91.8 | Very high | 41 Ų | 41 | 74.1 Ų | 74.1 | 18% | 0.18 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 176.9 | -175.3 | -86.8 | 0 | 0 | 0 | 110.5 | Q444 R446 C452 Q453 K458 L459 F460 | Q444-F456 HydrophobicContact CB-CB 3.86Å; Q444-F456 HydrophobicContact CB-CD1 4.18Å; Q444-F456 HydrophobicContact CB-CD2 3.21Å; Q444-F456 HydrophobicContact CB-CE2 3.67Å; Q444-F456 HydrophobicContact CB-CG 3.49Å; Q444-F456 VanDerWaalsContact CB-CG 3.49Å; Q444-F456 HydrophobicContact CB-CZ 4.33Å; Q444-F456 HydrophobicContact CG-CB 3.96Å; Q444-F456 HydrophobicContact CG-CD1 3.97Å; Q444-F456 HydrophobicContact CG-CD2 3.94Å; Q444-F456 HydrophobicContact CG-CE1 4.44Å; Q444-F456 HydrophobicContact CG-CE2 4.38Å; Q444-F456 HydrophobicContact CG-CG 3.69Å; R446-F456 HydrophobicContact CB-CE2 4.14Å; C452-F456 PolarHBondContact O-N 3.15Å; Q453-F456 PolarHBondContact O-N 3.14Å; F456-K458 VanDerWaalsContact C-N 3.33Å; F456-K458 PolarHBondContact O-N 3.14Å; F456-L459 PolarHBondContact O-N 3.44Å; F456-L459 VanDerWaalsContact O-N 3.15Å; F456-F460 HydrophobicContact CD1-CB 4.42Å; F456-F460 AromaticContact CD2-CD2 3.58Å; F456-F460 HydrophobicContact CD2-CD2 3.58Å; F456-F460 HydrophobicContact CD2-CE2 4.23Å; F456-F460 HydrophobicContact CE1-CB 4.28Å; F456-F460 AromaticContact CE2-CD2 3.87Å; F456-F460 HydrophobicContact CE2-CD2 3.87Å; F456-F460 HydrophobicContact CG-CD2 4.03Å; F456-F460 HydrophobicContact CZ-CB 4.34Å; F456-F460 HydrophobicContact CZ-CD2 4.5Å; F456-F460 WeakPolarHBondContact O-CA 3.14Å; F456-F460 VanDerWaalsContact O-CB 3.31Å; F456-F460 WeakPolarHBondContact O-CB 3.35Å; F456-F460 PolarHBondContact O-N 3.28Å |
| 457 | L | 93.5 | Very high | 91.9 | Very high | 90 Ų | 90 | 70.6 Ų | 70.6 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 176.8 | -68.1 | 172.1 | 0 | 0 | 0 | 112 | Q453 L459 G461 | Q453-L457 HydrophobicContact CG-CD1 4.42Å; Q453-L457 WeakPolarHBondContact O-CG 3.31Å; Q453-L457 PolarHBondContact O-N 3.37Å; Q453-L457 VanDerWaalsContact O-N 3.14Å; L457-L459 VanDerWaalsContact C-N 3.27Å; L457-L459 PolarHBondContact O-N 2.92Å; L457-G461 WeakPolarHBondContact O-CA 3.48Å; L457-G461 PolarHBondContact O-N 3.37Å |
| 458 | K | 93.4 | Very high | 92.1 | Very high | 176 Ų | 176 | 69.8 Ų | 69.8 | 77% | 0.765 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67.7 | -19.7 | 178.4 | -76.8 | 178.2 | 179.3 | -168.6 | 0 | 115.5 | P454 C455 F456 | P454-K458 WeakPolarHBondContact O-CB 3.49Å; P454-K458 WeakPolarHBondContact O-CD 3.49Å; P454-K458 WeakPolarHBondContact O-CG 3.4Å; P454-K458 PolarHBondContact O-N 2.82Å; C455-K458 PolarHBondContact O-N 3.05Å; F456-K458 VanDerWaalsContact C-N 3.33Å; F456-K458 PolarHBondContact O-N 3.14Å |
| 459 | L | 91.9 | Very high | 92.5 | Very high | 74 Ų | 74 | 68 Ų | 68 | 39% | 0.387 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -107.8 | -22.4 | -176.4 | -67 | 172.2 | 0 | 0 | 0 | 113.1 | F433 Y451 C455 F456 L457 | F433-L459 HydrophobicContact CB-CD1 3.91Å; F433-L459 HydrophobicContact CD1-CD1 4.48Å; F433-L459 HydrophobicContact CD2-CD1 3.87Å; F433-L459 HydrophobicContact CD2-CD2 4.21Å; F433-L459 HydrophobicContact CE2-CD2 4.1Å; F433-L459 HydrophobicContact CG-CD1 3.83Å; Y451-L459 HydrophobicContact CD1-CD1 4.07Å; Y451-L459 HydrophobicContact CE1-CD1 3.99Å; C455-L459 WeakPolarHBondContact O-CB 3.2Å; C455-L459 VanDerWaalsContact O-CG 3.25Å; C455-L459 WeakPolarHBondContact O-CG 3.43Å; C455-L459 PolarHBondContact O-N 2.83Å; C455-L459 VanDerWaalsContact O-N 3.14Å; F456-L459 PolarHBondContact O-N 3.44Å; F456-L459 VanDerWaalsContact O-N 3.15Å; L457-L459 VanDerWaalsContact C-N 3.27Å; L457-L459 PolarHBondContact O-N 2.92Å |
| 460 | F | 92.9 | Very high | 92.6 | Very high | 69 Ų | 69 | 65 Ų | 65 | 30% | 0.303 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -144.5 | -6.9 | -163.2 | -57.6 | -50.8 | 0 | 0 | 0 | 115.3 | R446 Y451 F456 | R446-F460 HydrophobicContact CB-CE2 4.26Å; R446-F460 VanDerWaalsContact NH1-CD1 3.26Å; Y451-F460 HydrophobicContact CD1-CE2 4.15Å; Y451-F460 HydrophobicContact CD2-CE2 4.07Å; Y451-F460 AromaticContact CE1-CE2 3.92Å; Y451-F460 HydrophobicContact CE1-CE2 3.92Å; Y451-F460 HydrophobicContact CE1-CZ 4.26Å; Y451-F460 AromaticContact CE2-CE2 3.86Å; Y451-F460 HydrophobicContact CE2-CE2 3.86Å; Y451-F460 HydrophobicContact CE2-CZ 4.31Å; Y451-F460 HydrophobicContact CG-CE2 4.22Å; Y451-F460 AromaticContact CZ-CE2 3.78Å; Y451-F460 AromaticContact CZ-CZ 3.95Å; F456-F460 HydrophobicContact CD1-CB 4.42Å; F456-F460 AromaticContact CD2-CD2 3.58Å; F456-F460 HydrophobicContact CD2-CD2 3.58Å; F456-F460 HydrophobicContact CD2-CE2 4.23Å; F456-F460 HydrophobicContact CE1-CB 4.28Å; F456-F460 AromaticContact CE2-CD2 3.87Å; F456-F460 HydrophobicContact CE2-CD2 3.87Å; F456-F460 HydrophobicContact CG-CD2 4.03Å; F456-F460 HydrophobicContact CZ-CB 4.34Å; F456-F460 HydrophobicContact CZ-CD2 4.5Å; F456-F460 WeakPolarHBondContact O-CA 3.14Å; F456-F460 VanDerWaalsContact O-CB 3.31Å; F456-F460 WeakPolarHBondContact O-CB 3.35Å; F456-F460 PolarHBondContact O-N 3.28Å |
| 461 | G | 83 | Confident | 92.6 | Very high | 112 Ų | 112 | 69.5 Ų | 69.5 | 100% | 1.155 | 40% | 0.399 | S | S | * | . | trans | -103.6 | 0 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L457 | L457-G461 WeakPolarHBondContact O-CA 3.48Å; L457-G461 PolarHBondContact O-N 3.37Å |
Retrieved 461 of 461 residues in 73.6 ms
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