| 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 | 50.8 | Low | 52.7 | Low | 243 Ų | 243 | 144.7 Ų | 144.7 | 100% | 1.197 | 85% | 0.854 | S | S | * | * | 0 | 124.8 | 0 | -53.1 | 70.1 | 170.9 | 0 | 0 | 105.5 | |||||
| 2 | G | 51.1 | Low | 52 | Low | 67 Ų | 67 | 148.9 Ų | 148.9 | 69% | 0.691 | 85% | 0.854 | S | S | * | * | cis | 115.5 | 94.5 | 28.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3 | R | 56 | Low | 50.9 | Low | 254 Ų | 254 | 147.2 Ų | 147.2 | 96% | 0.958 | 86% | 0.856 | S | S | * | * | trans | -164.7 | 136.8 | 155.2 | -103.1 | 154.3 | -150.7 | -76.8 | 0 | 109.7 | ||||
| 4 | K | 51.7 | Low | 50 | Low | 218 Ų | 218 | 143.1 Ų | 143.1 | 95% | 0.948 | 84% | 0.84 | S | S | * | * | trans | -107.3 | 154.3 | -179.1 | -68.9 | 177.7 | 173.6 | -178.6 | 0 | 110 | ||||
| 5 | G | 52.9 | Low | 49.9 | Very low | 83 Ų | 83 | 141.2 Ų | 141.2 | 86% | 0.856 | 84% | 0.838 | S | S | * | * | trans | 152.5 | 129.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 6 | G | 57 | Low | 49.6 | Very low | 65 Ų | 65 | 146.6 Ų | 146.6 | 67% | 0.67 | 84% | 0.839 | S | S | * | * | cis | 163.3 | 129.3 | -1.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 7 | P | 51.5 | Low | 49.7 | Very low | 132 Ų | 132 | 149.4 Ų | 149.4 | 86% | 0.857 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 134.3 | -166.6 | 31 | -34.3 | 0 | 0 | 0 | 111.9 | ||
| 8 | L | 55.7 | Low | 49.3 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 146.4 | 167.6 | -67.8 | -179.4 | 0 | 0 | 0 | 110.6 | ||
| 9 | A | 52.1 | Low | 49.4 | Very low | 89 Ų | 89 | 150.1 Ų | 150.1 | 74% | 0.736 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 156.3 | -151.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 10 | S | 40.8 | Very low | 49.1 | Very low | 108 Ų | 108 | 148.6 Ų | 148.6 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | trans | -43.3 | 140.3 | 167.1 | 178.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 11 | I | 60 | Low | 48.3 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 80% | 0.795 | 84% | 0.839 | S | S | * | * | trans | -124.8 | 19.2 | 174.9 | -25.2 | 178.2 | 0 | 0 | 0 | 112.8 | ||||
| 12 | F | 43.9 | Very low | 47.8 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -121.3 | 70.8 | 178.1 | -71.3 | -73.2 | 0 | 0 | 0 | 112.4 | S14 | F12-S14 PolarHBondContact O-N 2.93Š| ||
| 13 | S | 38.5 | Very low | 47.1 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 88% | 0.881 | 83% | 0.831 | S | S | * | * | trans | -77.7 | 107 | 167.5 | -87.1 | 0 | 0 | 0 | 0 | 111.1 | S15 | S13-S15 PolarHBondContact O-N 3.1Š| ||
| 14 | S | 37.9 | Very low | 46.4 | Very low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 82% | 0.822 | S | S | * | * | trans | -60.9 | 119.2 | 172.6 | 152.9 | 0 | 0 | 0 | 0 | 112.3 | F12 R16 | F12-S14 PolarHBondContact O-N 2.93Å; S14-R16 PolarHBondContact O-N 3.07Å | ||
| 15 | S | 48.4 | Very low | 45.9 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -88.6 | 97.5 | 161.2 | -168.6 | 0 | 0 | 0 | 0 | 110.2 | S13 | S13-S15 PolarHBondContact O-N 3.1Š| ||
| 16 | R | 45.5 | Very low | 45.3 | Very low | 228 Ų | 228 | 129.4 Ų | 129.4 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -88.7 | 123.6 | 167.2 | -78.6 | 173.2 | -175.2 | -117.7 | 2 | 108.8 | S14 | S14-R16 PolarHBondContact O-N 3.07Š| ||
| 17 | Q | 50.9 | Low | 45 | Very low | 194 Ų | 194 | 130.5 Ų | 130.5 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -123.5 | 149.9 | 158.8 | -143 | 141.3 | 38.8 | 0 | 0 | 109.4 | ||||
| 18 | S | 43.2 | Very low | 44.8 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | trans | -117.5 | 173.2 | -140.3 | 54.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 19 | K | 50.2 | Low | 44.6 | Very low | 200 Ų | 200 | 127.4 Ų | 127.4 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | 92.5 | 152.5 | 164.6 | -90.4 | -151.9 | 152.3 | 89 | 0 | 117.9 | ||||
| 20 | P | 43.1 | Very low | 44.6 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | -134.4 | 172.9 | -127.9 | 40.8 | -22.5 | 0 | 0 | 0 | 115.6 | |||||
| 21 | G | 33.2 | Very low | 45.4 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | 113.3 | 132 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 22 | G | 39.3 | Very low | 44.6 | Very low | 73 Ų | 73 | 130.1 Ų | 130.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 129.7 | 87.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A24 | G22-A24 PolarHBondContact O-N 3.22Å; G22-A24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | T | 36.9 | Very low | 45.3 | Very low | 157 Ų | 157 | 126 Ų | 126 | 96% | 0.963 | 79% | 0.792 | S | S | * | * | trans | -65.7 | 103.5 | 162.6 | 45.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 24 | A | 41.3 | Very low | 45.9 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -131.6 | 130.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | G22 | G22-A24 PolarHBondContact O-N 3.22Å; G22-A24 VanDerWaalsContact O-N 3.12Å | ||
| 25 | A | 41.6 | Very low | 46.3 | Very low | 101 Ų | 101 | 125.8 Ų | 125.8 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62 | 142 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A27 | A25-A27 PolarHBondContact O-N 3.49Š|
| 26 | A | 40.2 | Very low | 46.1 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 117.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 27 | A | 50 | Low | 46.1 | Very low | 89 Ų | 89 | 120.1 Ų | 120.1 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 142.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | A25 | A25-A27 PolarHBondContact O-N 3.49Š|
| 28 | P | 48.7 | Very low | 45.8 | Very low | 122 Ų | 122 | 114 Ų | 114 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 146.2 | 176.9 | 27.4 | -34.4 | 0 | 0 | 0 | 110.9 | ||
| 29 | T | 50.6 | Low | 45.9 | Very low | 123 Ų | 123 | 115.2 Ų | 115.2 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 135.5 | 171.9 | 43 | 0 | 0 | 0 | 0 | 110.5 | ||
| 30 | P | 52.3 | Low | 45.9 | Very low | 116 Ų | 116 | 114 Ų | 114 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 139.3 | 178.9 | 27 | -33.8 | 0 | 0 | 0 | 110.4 | ||
| 31 | P | 57.6 | Low | 46.1 | Very low | 91 Ų | 91 | 114.4 Ų | 114.4 | 59% | 0.591 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 145 | 176.3 | 26.4 | -34.5 | 0 | 0 | 0 | 110.1 | P33 | P31-P33 WeakPolarHBondContact O-CD 3.45Å; P31-P33 VanDerWaalsContact O-N 3.17Å |
| 32 | W | 43.8 | Very low | 46.8 | Very low | 201 Ų | 201 | 117.4 Ų | 117.4 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 119.9 | -174.7 | -169.4 | -90.9 | 0 | 0 | 0 | 110.8 | W34 | W32-W34 PolarHBondContact O-N 2.9Š|
| 33 | P | 58.8 | Low | 47.1 | Very low | 108 Ų | 108 | 118.6 Ų | 118.6 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -72.2 | 103 | 178.5 | 28.7 | -32.1 | 0 | 0 | 0 | 108.3 | P31 | P31-P33 WeakPolarHBondContact O-CD 3.45Å; P31-P33 VanDerWaalsContact O-N 3.17Å | ||
| 34 | W | 50.4 | Low | 47.6 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 41% | 0.409 | 73% | 0.731 | S | S | . | * | trans | -48.5 | 128.4 | 165.8 | -68 | 98.3 | 0 | 0 | 0 | 108.8 | W32 S36 L297 A301 | W32-W34 PolarHBondContact O-N 2.9Å; W34-S36 PolarHBondContact O-N 2.78Å; W34-L297 HydrophobicContact CH2-CB 4.33Å; W34-L297 HydrophobicContact CH2-CD2 4.15Å; W34-L297 HydrophobicContact CZ2-CD2 4.43Å; W34-A301 HydrophobicContact CD2-CB 4.15Å; W34-A301 HydrophobicContact CE3-CB 4.11Å | ||
| 35 | P | 45.9 | Very low | 47.9 | Very low | 105 Ų | 105 | 116.4 Ų | 116.4 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | trans | -55.7 | 112.2 | 173.2 | -23 | 33 | 0 | 0 | 0 | 107.9 | C37 | P35-C37 PolarHBondContact O-N 3.43Å; P35-C37 VanDerWaalsContact O-N 3.09Å | ||
| 36 | S | 45.2 | Very low | 47.9 | Very low | 102 Ų | 102 | 119.7 Ų | 119.7 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -60.7 | 120.8 | -173.7 | 53.2 | 0 | 0 | 0 | 0 | 108.6 | W34 A38 | W34-S36 PolarHBondContact O-N 2.78Å; S36-A38 PolarHBondContact O-N 3.02Å | ||
| 37 | C | 44.2 | Very low | 47.9 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -72.4 | 29.7 | 178.9 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | P35 | P35-C37 PolarHBondContact O-N 3.43Å; P35-C37 VanDerWaalsContact O-N 3.09Å | ||
| 38 | A | 45.9 | Very low | 47.6 | Very low | 66 Ų | 66 | 132.8 Ų | 132.8 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | trans | -75.3 | 139.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | S36 | S36-A38 PolarHBondContact O-N 3.02Š| ||
| 39 | T | 45 | Very low | 47 | Very low | 137 Ų | 137 | 137 Ų | 137 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 60.4 | 82.2 | 178.7 | 40.5 | 0 | 0 | 0 | 0 | 116.9 | ||
| 40 | K | 50.4 | Low | 46.6 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 76% | 0.757 | 73% | 0.728 | S | S | * | * | trans | 52.3 | 98.8 | 148.7 | -65.1 | 174.4 | 178.7 | 172.4 | 0 | 116.5 | Q42 | K40-Q42 VanDerWaalsContact C-N 3.3Å; K40-Q42 HydrophobicContact CB-CG 4.38Å; K40-Q42 PolarHBondContact O-N 2.9Å | ||
| 41 | P | 47.9 | Very low | 46.1 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | trans | -68.5 | 88.8 | 163.8 | 30.4 | -33.5 | 0 | 0 | 0 | 109.6 | T43 | P41-T43 PolarHBondContact O-N 2.84Å; P41-T43 VanDerWaalsContact O-N 3.11Å | ||
| 42 | Q | 46.5 | Very low | 45.6 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | trans | -74.6 | 101.5 | 173.8 | -70.4 | -148.4 | -60.8 | 0 | 0 | 109.7 | K40 | K40-Q42 VanDerWaalsContact C-N 3.3Å; K40-Q42 HydrophobicContact CB-CG 4.38Å; K40-Q42 PolarHBondContact O-N 2.9Å | ||
| 43 | T | 46.2 | Very low | 45.7 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 60% | 0.595 | 74% | 0.742 | S | S | * | * | trans | -61.3 | 147.8 | 164.3 | 57.1 | 0 | 0 | 0 | 0 | 109.6 | P41 S45 | P41-T43 PolarHBondContact O-N 2.84Å; P41-T43 VanDerWaalsContact O-N 3.11Å; T43-S45 PolarHBondContact O-N 2.94Å | ||
| 44 | A | 46.4 | Very low | 44.9 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 16.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 45 | S | 48.2 | Very low | 44.7 | Very low | 93 Ų | 93 | 135.1 Ų | 135.1 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -20.4 | 176.4 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | T43 R47 | T43-S45 PolarHBondContact O-N 2.94Å; S45-R47 VanDerWaalsContact C-N 3.34Å; S45-R47 PolarHBondContact O-N 3.31Å |
| 46 | F | 41.7 | Very low | 44.5 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | -85 | 63.5 | -178.8 | -92.9 | -90.5 | 0 | 0 | 0 | 113.5 | ||||
| 47 | R | 40.9 | Very low | 44.5 | Very low | 233 Ų | 233 | 140.4 Ų | 140.4 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -145.4 | 62.9 | 170.5 | -160.4 | -174.2 | -80.1 | 162.5 | -6.2 | 114.4 | S45 | S45-R47 VanDerWaalsContact C-N 3.34Å; S45-R47 PolarHBondContact O-N 3.31Å | ||
| 48 | R | 42.5 | Very low | 44.5 | Very low | 236 Ų | 236 | 144.3 Ų | 144.3 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -161.7 | 71.9 | 153 | -125.5 | 179.2 | -172.1 | -99.5 | 3.6 | 112.9 | ||||
| 49 | Q | 37.6 | Very low | 44.3 | Very low | 211 Ų | 211 | 147 Ų | 147 | 99% | 0.986 | 80% | 0.799 | S | S | * | * | trans | -86.2 | 107.9 | 156 | -168 | 170.9 | 25.1 | 0 | 0 | 107 | ||||
| 50 | G | 41.4 | Very low | 44.1 | Very low | 52 Ų | 52 | 146.6 Ų | 146.6 | 54% | 0.536 | 80% | 0.796 | S | S | . | * | trans | -170.9 | 74 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 51 | S | 40.7 | Very low | 43.5 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 24.9 | 105 | 150 | -175.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 52 | D | 48.2 | Very low | 42.9 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | -158 | 171.2 | 119.8 | -144.5 | -16.4 | 0 | 0 | 0 | 111.8 | |||||
| 53 | N | 45.6 | Very low | 42.6 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -76.8 | 158.7 | -164.5 | -68.2 | -81.7 | 0 | 0 | 0 | 115.9 | ||||
| 54 | G | 41.3 | Very low | 42.2 | Very low | 68 Ų | 68 | 140.8 Ų | 140.8 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | trans | 107.4 | 131.2 | 135.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 55 | D | 47.3 | Very low | 41.9 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 94% | 0.936 | 82% | 0.817 | S | S | * | * | trans | 59.5 | 103.8 | 153.7 | -57.5 | -22.2 | 0 | 0 | 0 | 119.4 | ||||
| 56 | G | 40.6 | Very low | 41.6 | Very low | 78 Ų | 78 | 152.7 Ų | 152.7 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -91.9 | 151.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 57 | R | 45.7 | Very low | 41.3 | Very low | 241 Ų | 241 | 153.6 Ų | 153.6 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -149.4 | 131.1 | 143 | -113.1 | 170.6 | -171.2 | -110.3 | 0 | 110.6 | ||||
| 58 | K | 44.7 | Very low | 41.4 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | trans | -81.3 | 128.3 | 171.2 | -61.9 | 178.7 | 180 | -178.5 | 0 | 108.2 | ||||
| 59 | C | 42.5 | Very low | 41.3 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | trans | -102.2 | 107.5 | 175.4 | -68.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 60 | T | 39.3 | Very low | 41.5 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | trans | -124.7 | 121 | 166 | 54.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 61 | T | 38.5 | Very low | 41.4 | Very low | 142 Ų | 142 | 142 Ų | 142 | 87% | 0.871 | 82% | 0.824 | S | S | * | * | trans | -152 | 109.5 | 170.5 | -0.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 62 | A | 35.7 | Very low | 41.5 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -105.3 | 129.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 63 | A | 40.7 | Very low | 41.2 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | -164.1 | 117.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 64 | G | 36.3 | Very low | 41 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | trans | -112.1 | 138.7 | 166 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 65 | R | 41.1 | Very low | 41.4 | Very low | 228 Ų | 228 | 138 Ų | 138 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -160.5 | 151.7 | 162.2 | -60.9 | -166.1 | -165.3 | -75.4 | 3.2 | 105.8 | ||||
| 66 | R | 41.9 | Very low | 41.5 | Very low | 225 Ų | 225 | 136 Ų | 136 | 85% | 0.849 | 83% | 0.828 | S | S | * | * | cis | -175.6 | 152.8 | -17 | -108.7 | -169.6 | 177.7 | -175.6 | -1.9 | 103 | ||||
| 67 | F | 35.6 | Very low | 41.6 | Very low | 188 Ų | 188 | 135.7 Ų | 135.7 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -68.7 | 147.2 | 165.9 | -100.8 | -115.9 | 0 | 0 | 0 | 110.9 | ||||
| 68 | D | 42.9 | Very low | 41.8 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | 165.9 | 121.5 | 112.3 | -81.9 | -38.2 | 0 | 0 | 0 | 113.7 | |||||
| 69 | D | 40.6 | Very low | 41.7 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | 63.4 | 161.7 | 142.6 | -114.9 | -55.6 | 0 | 0 | 0 | 126.1 | ||||
| 70 | A | 41.2 | Very low | 41.7 | Very low | 86 Ų | 86 | 123.4 Ų | 123.4 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | trans | 89.2 | 101 | 159.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 71 | A | 39.5 | Very low | 41.8 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | 95.4 | 102.2 | 118 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 72 | A | 42.2 | Very low | 42.1 | Very low | 98 Ų | 98 | 129 Ų | 129 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | 95 | 136.4 | 114.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 73 | A | 42.7 | Very low | 42.7 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | 71 | 137.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 74 | A | 41.2 | Very low | 42.7 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | cis | -162.4 | 149.2 | -11 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 75 | A | 49.3 | Very low | 43.3 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | 65 | 152.7 | 147.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 76 | P | 48.5 | Very low | 43.3 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | trans | -120.1 | 168.5 | -160.6 | 41.1 | -26.9 | 0 | 0 | 0 | 115.7 | ||||
| 77 | G | 42.9 | Very low | 43.2 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | trans | -156.1 | 96.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 78 | V | 50 | Low | 43.4 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | trans | 39.9 | 106.9 | 144.7 | -171.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 79 | G | 42.8 | Very low | 43.1 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | 77 | 119.2 | 114.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 80 | G | 42.1 | Very low | 43.4 | Very low | 79 Ų | 79 | 124 Ų | 124 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | trans | 159.5 | 99 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 81 | R | 41.6 | Very low | 43.6 | Very low | 233 Ų | 233 | 126.3 Ų | 126.3 | 88% | 0.879 | 84% | 0.838 | S | S | * | * | trans | -65.3 | 138.2 | 163.3 | -75.3 | 174.2 | 153.8 | -128.5 | 0.2 | 109.1 | ||||
| 82 | L | 46 | Very low | 43.7 | Very low | 154 Ų | 154 | 124.4 Ų | 124.4 | 81% | 0.806 | 83% | 0.827 | S | S | * | * | 162.8 | 129.1 | 111.3 | -85.7 | 171.8 | 0 | 0 | 0 | 113.2 | |||||
| 83 | R | 47.8 | Very low | 43.9 | Very low | 233 Ų | 233 | 127.6 Ų | 127.6 | 88% | 0.879 | 83% | 0.831 | S | S | * | * | trans | 74.3 | 125.7 | 147.6 | -148.7 | 174 | -162.1 | 138.8 | 3 | 118.9 | ||||
| 84 | P | 41.2 | Very low | 44.4 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 79% | 0.786 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 139.5 | 169.9 | 34.3 | -32 | 0 | 0 | 0 | 111.7 | ||
| 85 | P | 49.1 | Very low | 45.2 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 147.1 | 159.9 | 34 | -28.8 | 0 | 0 | 0 | 111.4 | ||
| 86 | R | 41 | Very low | 44.9 | Very low | 256 Ų | 256 | 139.1 Ų | 139.1 | 97% | 0.966 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 123.1 | -176.2 | 175.6 | -179.5 | 177.7 | 162 | -1.3 | 110.5 | ||
| 87 | G | 39 | Very low | 45.1 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | 83.7 | 122.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 88 | A | 39.7 | Very low | 45.5 | Very low | 108 Ų | 108 | 143 Ų | 143 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | trans | -163.4 | 144.9 | 130.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 89 | A | 37.8 | Very low | 45.3 | Very low | 105 Ų | 105 | 143 Ų | 143 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -81.6 | 155.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 90 | A | 46.1 | Very low | 45.2 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -121.2 | 128.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 91 | P | 45.9 | Very low | 45.5 | Very low | 135 Ų | 135 | 146.6 Ų | 146.6 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -92.9 | 132 | -177.1 | 34.4 | -31.5 | 0 | 0 | 0 | 111.7 | ||||
| 92 | G | 40.7 | Very low | 46.1 | Very low | 58 Ų | 58 | 142 Ų | 142 | 60% | 0.598 | 81% | 0.807 | S | S | * | * | trans | 171 | 148.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 93 | D | 45.9 | Very low | 46.1 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | 75.9 | 30.8 | 155.7 | -47.6 | -16.4 | 0 | 0 | 0 | 119.6 | ||||
| 94 | E | 53.8 | Low | 45.6 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -125.3 | 63.8 | 167.6 | -68.7 | -166 | -138.1 | 0 | 0 | 113.1 | ||||
| 95 | M | 58 | Low | 45.5 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -110 | -0.8 | -177.2 | 71.9 | -171.4 | -72.9 | 0 | 0 | 116.5 | ||
| 96 | Y | 43.9 | Very low | 45.1 | Very low | 202 Ų | 202 | 141.7 Ų | 141.7 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -145.2 | 75 | 175 | -68.9 | -72.6 | 0 | 0 | 0 | 112.5 | ||||
| 97 | K | 51.8 | Low | 45.3 | Very low | 181 Ų | 181 | 134 Ų | 134 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | trans | -99.8 | 104.3 | 164.1 | -156.5 | 167.4 | -174.6 | 176.3 | 0 | 109.9 | ||||
| 98 | T | 50.7 | Low | 45.5 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 66% | 0.656 | 80% | 0.796 | S | S | * | * | trans | -62.8 | 138.7 | -167.7 | -51.2 | 0 | 0 | 0 | 0 | 113.2 | N100 | T98-N100 PolarHBondContact O-N 3.27Š| ||
| 99 | V | 45.9 | Very low | 45.8 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 40.7 | -178.2 | -67.3 | 0 | 0 | 0 | 0 | 115 | ||
| 100 | N | 41.5 | Very low | 46.1 | Very low | 146 Ų | 146 | 139.6 Ų | 139.6 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.5 | 18.5 | 179.2 | -153.9 | 65.7 | 0 | 0 | 0 | 113.2 | T98 V102 | T98-N100 PolarHBondContact O-N 3.27Å; N100-V102 VanDerWaalsContact C-N 3.35Å |
| 101 | S | 49.2 | Very low | 46 | Very low | 90 Ų | 90 | 145.1 Ų | 145.1 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | -95.1 | 24.5 | 178 | 71.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 102 | V | 52.5 | Low | 45.7 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -104.6 | 59.5 | 172.4 | -169.2 | 0 | 0 | 0 | 0 | 108.8 | N100 | N100-V102 VanDerWaalsContact C-N 3.35Š| ||
| 103 | Y | 46.7 | Very low | 45.8 | Very low | 198 Ų | 198 | 148.5 Ų | 148.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -167 | 126.1 | 160 | -127 | -130.6 | 0 | 0 | 0 | 108.9 | ||
| 104 | F | 37 | Very low | 45.4 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 52.1 | 82.9 | 175.4 | -61 | -74.4 | 0 | 0 | 0 | 117.7 | ||||
| 105 | D | 39.7 | Very low | 44.8 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | -84.3 | 118.5 | 128.8 | -113.7 | -40.7 | 0 | 0 | 0 | 106.8 | |||||
| 106 | A | 41.4 | Very low | 44 | Very low | 85 Ų | 85 | 151 Ų | 151 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | -84.3 | 144.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 107 | A | 43.3 | Very low | 44 | Very low | 95 Ų | 95 | 148 Ų | 148 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 72.9 | 81.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 108 | D | 44.1 | Very low | 43.9 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | S | Bend | 179.8 | -16.5 | 127.2 | -104.1 | -18 | 0 | 0 | 0 | 113.7 | C110 | D108-C110 PolarHBondContact O-N 3.1Š| |
| 109 | S | 45.2 | Very low | 44 | Very low | 107 Ų | 107 | 149.1 Ų | 149.1 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -94.2 | 61 | -170.9 | -158.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 110 | C | 45.5 | Very low | 44 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 92% | 0.919 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -108.3 | 31.8 | 170 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | D108 | D108-C110 PolarHBondContact O-N 3.1Š|
| 111 | R | 43.2 | Very low | 44.1 | Very low | 213 Ų | 213 | 141.6 Ų | 141.6 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -148.6 | 24.7 | -170.4 | -139.6 | 174.2 | 176.1 | -155.4 | -5.6 | 115 | ||
| 112 | S | 39.5 | Very low | 43.7 | Very low | 80 Ų | 80 | 141.7 Ų | 141.7 | 56% | 0.559 | 79% | 0.794 | S | S | * | * | trans | -138.2 | 153.1 | 177.1 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 113 | F | 42.2 | Very low | 43.6 | Very low | 185 Ų | 185 | 138.9 Ų | 138.9 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 72 | 126.1 | -157.8 | -61.2 | -89.6 | 0 | 0 | 0 | 113.5 | ||
| 114 | F | 39.1 | Very low | 43.4 | Very low | 206 Ų | 206 | 137 Ų | 137 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | 72.2 | 55.2 | -168.4 | -45.9 | -66.7 | 0 | 0 | 0 | 116.3 | ||||
| 115 | F | 40.9 | Very low | 44 | Very low | 137 Ų | 137 | 133 Ų | 133 | 60% | 0.601 | 79% | 0.794 | S | S | * | * | trans | -107.1 | 102.4 | 152 | -89.2 | -90.6 | 0 | 0 | 0 | 108.8 | D117 | F115-D117 HydrophobicContact CD1-CB 4.27Å; F115-D117 WeakPolarHBondContact CD1-OD2 3.34Å | ||
| 116 | F | 40.6 | Very low | 44.5 | Very low | 210 Ų | 210 | 128.7 Ų | 128.7 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -98.9 | 78.7 | 152 | -94.6 | -85.8 | 0 | 0 | 0 | 105.7 | ||||
| 117 | D | 44.8 | Very low | 45.3 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -110.4 | 105.4 | 165.8 | -89.9 | -86.7 | 0 | 0 | 0 | 106.3 | F115 | F115-D117 HydrophobicContact CD1-CB 4.27Å; F115-D117 WeakPolarHBondContact CD1-OD2 3.34Å | ||
| 118 | D | 50 | Low | 45.7 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -112.8 | 126.4 | -177.9 | -175.8 | 54.6 | 0 | 0 | 0 | 108.2 | ||||
| 119 | D | 51.5 | Low | 46.2 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | trans | 58.4 | 147.1 | 177.8 | -130.8 | 56 | 0 | 0 | 0 | 117.1 | ||||
| 120 | G | 45.9 | Very low | 46.4 | Very low | 56 Ų | 56 | 134.3 Ų | 134.3 | 58% | 0.577 | 78% | 0.784 | S | S | * | * | cis | 167.5 | 157.3 | -2.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 121 | G | 44.9 | Very low | 47 | Very low | 80 Ų | 80 | 135.4 Ų | 135.4 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 68.8 | 98 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 122 | G | 39.5 | Very low | 47.2 | Very low | 92 Ų | 92 | 132.4 Ų | 132.4 | 95% | 0.948 | 78% | 0.78 | S | S | * | * | trans | -73 | 128.8 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 123 | G | 50.5 | Low | 48.2 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | -143.5 | 127.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 124 | D | 42.5 | Very low | 48.5 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -90.7 | 163.3 | -176.3 | 51.7 | -68.4 | 0 | 0 | 0 | 113.9 | ||||
| 125 | A | 49.6 | Very low | 49.1 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | 77.5 | 105 | 161.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 126 | A | 51.3 | Low | 49.4 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | 81.1 | 153 | 124.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 127 | D | 56.9 | Low | 49.3 | Very low | 151 Ų | 151 | 125 Ų | 125 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | trans | 64.3 | 101.4 | 167.9 | -49.9 | -55.8 | 0 | 0 | 0 | 115 | ||||
| 128 | D | 52.1 | Low | 49.1 | Very low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | 64 | 91.9 | 74.1 | -154.6 | -90.1 | 0 | 0 | 0 | 112.5 | |||||
| 129 | D | 54.2 | Low | 48.9 | Very low | 151 Ų | 151 | 121.5 Ų | 121.5 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | -162.2 | 133 | 144.5 | -115.2 | -42.1 | 0 | 0 | 0 | 110 | ||||
| 130 | V | 49.6 | Very low | 48.7 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | -94.5 | 122.6 | 177.7 | 170.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 131 | L | 58.8 | Low | 49.1 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | -134.9 | 113.6 | 169.3 | -68.4 | 175 | 0 | 0 | 0 | 110.3 | ||||
| 132 | D | 47.6 | Very low | 49.6 | Very low | 150 Ų | 150 | 122.1 Ų | 122.1 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | trans | -63.5 | 134.6 | 162.2 | -61.7 | -99.4 | 0 | 0 | 0 | 110 | ||||
| 133 | D | 60 | Low | 50.4 | Low | 144 Ų | 144 | 122 Ų | 122 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | -139.3 | 105.3 | 165.8 | -170.3 | -97.2 | 0 | 0 | 0 | 110.5 | G135 | D133-G135 VanDerWaalsContact C-N 3.32Å; D133-G135 PolarHBondContact O-N 3.29Å; D133-G135 VanDerWaalsContact O-N 3.14Å; D133-G135 WeakPolarHBondContact OD1-CA 3.32Å; D133-G135 PolarHBondContact OD1-N 3.5Å | ||
| 134 | D | 48.4 | Very low | 50.5 | Low | 165 Ų | 165 | 123.2 Ų | 123.2 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | trans | -79.2 | 73.9 | 170 | 43.5 | -65.6 | 0 | 0 | 0 | 111.2 | ||||
| 135 | G | 51.3 | Low | 50.8 | Low | 52 Ų | 52 | 122.5 Ų | 122.5 | 54% | 0.536 | 72% | 0.718 | S | S | . | * | trans | -122.2 | 73.2 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | D133 | D133-G135 VanDerWaalsContact C-N 3.32Å; D133-G135 PolarHBondContact O-N 3.29Å; D133-G135 VanDerWaalsContact O-N 3.14Å; D133-G135 WeakPolarHBondContact OD1-CA 3.32Å; D133-G135 PolarHBondContact OD1-N 3.5Å | ||
| 136 | S | 47.9 | Very low | 51 | Low | 119 Ų | 119 | 127.3 Ų | 127.3 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | 29.5 | 106.7 | 140.7 | 170.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 137 | F | 38.1 | Very low | 51.3 | Low | 184 Ų | 184 | 126.5 Ų | 126.5 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | trans | -157.3 | 112.8 | 130.8 | -170.7 | -115.9 | 0 | 0 | 0 | 112.6 | T139 | F137-T139 VanDerWaalsContact CE1-OG1 3.3Å; F137-T139 WeakPolarHBondContact CE1-OG1 3.2Å; F137-T139 WeakPolarHBondContact CZ-OG1 3.25Å | ||
| 138 | S | 41 | Very low | 51.2 | Low | 114 Ų | 114 | 123.6 Ų | 123.6 | 80% | 0.797 | 69% | 0.688 | S | S | * | * | trans | -91.1 | 127.9 | 173.9 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 139 | T | 45 | Very low | 51.4 | Low | 98 Ų | 98 | 118.9 Ų | 118.9 | 60% | 0.601 | 67% | 0.669 | S | S | * | * | trans | -152.2 | 82.8 | 151.3 | -53.6 | 0 | 0 | 0 | 0 | 108.9 | F137 T141 | F137-T139 VanDerWaalsContact CE1-OG1 3.3Å; F137-T139 WeakPolarHBondContact CE1-OG1 3.2Å; F137-T139 WeakPolarHBondContact CZ-OG1 3.25Å; T139-T141 HydrophobicContact CG2-CG2 4.25Å | ||
| 140 | M | 47.4 | Very low | 51.5 | Low | 166 Ų | 166 | 115.2 Ų | 115.2 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -97.2 | 123.6 | 160.9 | -67.2 | -172.2 | 82.2 | 0 | 0 | 107.4 | ||||
| 141 | T | 54.5 | Low | 51.9 | Low | 68 Ų | 68 | 114.5 Ų | 114.5 | 42% | 0.417 | 64% | 0.643 | S | S | . | * | trans | -93.4 | 140.4 | 174.8 | 67.6 | 0 | 0 | 0 | 0 | 109.4 | T139 S143 E144 | T139-T141 HydrophobicContact CG2-CG2 4.25Å; T141-S143 PolarHBondContact O-N 3.33Å; T141-E144 PolarHBondContact N-OE2 3.46Å; T141-E144 PolarHBondContact O-N 3.05Å; T141-E144 PolarHBondContact OG1-OE2 2.82Å | ||
| 142 | A | 54.9 | Low | 51.9 | Low | 78 Ų | 78 | 115.7 Ų | 115.7 | 65% | 0.645 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60 | -16.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E144 | A142-E144 VanDerWaalsContact C-N 3.34Å |
| 143 | S | 56.1 | Low | 52.2 | Low | 90 Ų | 90 | 113.2 Ų | 113.2 | 63% | 0.629 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.2 | -27.9 | 176.7 | -43.3 | 0 | 0 | 0 | 0 | 113.9 | T141 | T141-S143 PolarHBondContact O-N 3.33Å |
| 144 | E | 54.4 | Low | 51.9 | Low | 102 Ų | 102 | 108.4 Ų | 108.4 | 48% | 0.477 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -81.6 | -28.6 | -175.3 | -68.7 | 164.9 | 109.6 | 0 | 0 | 112 | T141 A142 W146 S147 E148 | T141-E144 PolarHBondContact N-OE2 3.46Å; T141-E144 PolarHBondContact O-N 3.05Å; T141-E144 PolarHBondContact OG1-OE2 2.82Å; A142-E144 VanDerWaalsContact C-N 3.34Å; E144-W146 VanDerWaalsContact C-N 3.31Å; E144-W146 PolarHBondContact O-N 3.13Å; E144-S147 WeakPolarHBondContact O-CB 3.47Å; E144-S147 PolarHBondContact O-N 2.81Å; E144-E148 PolarHBondContact O-N 3.13Å |
| 145 | E | 48.9 | Very low | 52 | Low | 143 Ų | 143 | 103.5 Ų | 103.5 | 67% | 0.668 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -59.1 | -40.5 | 177.1 | -173.9 | 177.2 | 156.3 | 0 | 0 | 112.3 | S147 E148 A149 | E145-S147 PolarHBondContact O-N 2.98Å; E145-E148 PolarHBondContact O-N 3.43Å; E145-A149 VanDerWaalsContact O-CB 3.29Å; E145-A149 WeakPolarHBondContact O-CB 3.22Å; E145-A149 PolarHBondContact O-N 2.89Å |
| 146 | W | 52.1 | Low | 52 | Low | 190 Ų | 190 | 112.5 Ų | 112.5 | 72% | 0.72 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.8 | -40.4 | 177.8 | -71.9 | 71.6 | 0 | 0 | 0 | 111.8 | E144 A149 V150 | E144-W146 VanDerWaalsContact C-N 3.31Å; E144-W146 PolarHBondContact O-N 3.13Å; W146-A149 PolarHBondContact O-N 3.07Å; W146-V150 WeakPolarHBondContact O-CG2 3.47Å; W146-V150 PolarHBondContact O-N 2.99Å |
| 147 | S | 59 | Low | 52 | Low | 67 Ų | 67 | 109.9 Ų | 109.9 | 47% | 0.469 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.1 | -44.6 | 176.8 | -63.3 | 0 | 0 | 0 | 0 | 111 | E144 E145 I151 | E144-S147 WeakPolarHBondContact O-CB 3.47Å; E144-S147 PolarHBondContact O-N 2.81Å; E145-S147 PolarHBondContact O-N 2.98Å; S147-I151 WeakPolarHBondContact O-CB 3.41Å; S147-I151 WeakPolarHBondContact O-CD1 3.11Å; S147-I151 VanDerWaalsContact O-CG1 3.22Å; S147-I151 WeakPolarHBondContact O-CG1 3.31Å; S147-I151 PolarHBondContact O-N 2.89Å; S147-I151 VanDerWaalsContact O-N 3.14Å |
| 148 | E | 53.9 | Low | 52.5 | Low | 90 Ų | 90 | 107 Ų | 107 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.9 | -36.5 | 175.1 | -69.8 | -157.3 | -176.6 | 0 | 0 | 113.2 | E144 E145 R152 | E144-E148 PolarHBondContact O-N 3.13Å; E145-E148 PolarHBondContact O-N 3.43Å; E148-R152 WeakPolarHBondContact O-CB 3.26Å; E148-R152 WeakPolarHBondContact O-CG 3.37Å; E148-R152 PolarHBondContact O-N 3.42Å; E148-R152 IonicContact OE2-CZ 3.47Å; E148-R152 VanDerWaalsContact OE2-CZ 3.31Å; E148-R152 IonicContact OE2-NH1 3.37Å; E148-R152 PolarHBondContact OE2-NH1 3.12Å; E148-R152 IonicContact OE2-NH2 3.12Å; E148-R152 PolarHBondContact OE2-NH2 3.43Å; E148-R152 VanDerWaalsContact OE2-NH2 3.12Å |
| 149 | A | 55.7 | Low | 53.4 | Low | 47 Ų | 47 | 103.6 Ų | 103.6 | 39% | 0.388 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.9 | -42.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E145 W146 S153 | E145-A149 VanDerWaalsContact O-CB 3.29Å; E145-A149 WeakPolarHBondContact O-CB 3.22Å; E145-A149 PolarHBondContact O-N 2.89Å; W146-A149 PolarHBondContact O-N 3.07Å; A149-S153 VanDerWaalsContact O-CB 3.31Å; A149-S153 WeakPolarHBondContact O-CB 3.39Å; A149-S153 PolarHBondContact O-N 2.99Å; A149-S153 PolarHBondContact O-OG 3.05Å |
| 150 | V | 56.6 | Low | 54.3 | Low | 73 Ų | 73 | 100.1 Ų | 100.1 | 44% | 0.442 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -64.1 | -48 | 174.6 | 172 | 0 | 0 | 0 | 0 | 110.2 | W146 R152 S153 L154 | W146-V150 WeakPolarHBondContact O-CG2 3.47Å; W146-V150 PolarHBondContact O-N 2.99Å; V150-R152 PolarHBondContact O-N 3.19Å; V150-S153 PolarHBondContact O-N 3.05Å; V150-S153 VanDerWaalsContact O-N 3.12Å; V150-L154 HydrophobicContact CG1-CD1 3.71Å; V150-L154 WeakPolarHBondContact O-CD1 3.47Å; V150-L154 PolarHBondContact O-N 3.46Å |
| 151 | I | 58.2 | Low | 55.6 | Low | 107 Ų | 107 | 95.1 Ų | 95.1 | 55% | 0.549 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 178.3 | -66.8 | 166.1 | 0 | 0 | 0 | 111.6 | S147 S153 G155 | S147-I151 WeakPolarHBondContact O-CB 3.41Å; S147-I151 WeakPolarHBondContact O-CD1 3.11Å; S147-I151 VanDerWaalsContact O-CG1 3.22Å; S147-I151 WeakPolarHBondContact O-CG1 3.31Å; S147-I151 PolarHBondContact O-N 2.89Å; S147-I151 VanDerWaalsContact O-N 3.14Å; I151-S153 VanDerWaalsContact C-N 3.33Å; I151-S153 PolarHBondContact O-N 2.83Å; I151-G155 PolarHBondContact O-N 3.47Å |
| 152 | R | 58.7 | Low | 56.7 | Low | 182 Ų | 182 | 92.8 Ų | 92.8 | 69% | 0.687 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.7 | -32.1 | 175.4 | -76.8 | -173.8 | 177 | 103.1 | 8.3 | 113.2 | E148 V150 | E148-R152 WeakPolarHBondContact O-CB 3.26Å; E148-R152 WeakPolarHBondContact O-CG 3.37Å; E148-R152 PolarHBondContact O-N 3.42Å; E148-R152 IonicContact OE2-CZ 3.47Å; E148-R152 VanDerWaalsContact OE2-CZ 3.31Å; E148-R152 IonicContact OE2-NH1 3.37Å; E148-R152 PolarHBondContact OE2-NH1 3.12Å; E148-R152 IonicContact OE2-NH2 3.12Å; E148-R152 PolarHBondContact OE2-NH2 3.43Å; E148-R152 VanDerWaalsContact OE2-NH2 3.12Å; V150-R152 PolarHBondContact O-N 3.19Å |
| 153 | S | 53.1 | Low | 57.9 | Low | 98 Ų | 98 | 89.6 Ų | 89.6 | 69% | 0.685 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -74.6 | -37.2 | 179 | -60.4 | 0 | 0 | 0 | 0 | 112.5 | A149 V150 I151 | A149-S153 VanDerWaalsContact O-CB 3.31Å; A149-S153 WeakPolarHBondContact O-CB 3.39Å; A149-S153 PolarHBondContact O-N 2.99Å; A149-S153 PolarHBondContact O-OG 3.05Å; V150-S153 PolarHBondContact O-N 3.05Å; V150-S153 VanDerWaalsContact O-N 3.12Å; I151-S153 VanDerWaalsContact C-N 3.33Å; I151-S153 PolarHBondContact O-N 2.83Å |
| 154 | L | 55.5 | Low | 58.9 | Low | 44 Ų | 44 | 86.1 Ų | 86.1 | 23% | 0.23 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -84.3 | -15.3 | 177 | -79.8 | 90.9 | 0 | 0 | 0 | 113.9 | V150 R156 F162 A239 | V150-L154 HydrophobicContact CG1-CD1 3.71Å; V150-L154 WeakPolarHBondContact O-CD1 3.47Å; V150-L154 PolarHBondContact O-N 3.46Å; L154-R156 PolarHBondContact O-N 3.21Å; L154-F162 HydrophobicContact CB-CD1 4.39Å; L154-F162 HydrophobicContact CB-CE1 3.65Å; L154-F162 HydrophobicContact CB-CZ 3.85Å; L154-F162 HydrophobicContact CD2-CD1 3.53Å; L154-F162 HydrophobicContact CD2-CE1 3.62Å; L154-F162 HydrophobicContact CD2-CG 4.33Å; L154-F162 HydrophobicContact CD2-CZ 4.48Å; L154-F162 HydrophobicContact CG-CE1 4.19Å; L154-F162 WeakPolarHBondContact O-CZ 3.38Å; L154-A239 HydrophobicContact CD2-CB 3.89Å |
| 155 | G | 49.1 | Very low | 59.6 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 64% | 0.639 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 38.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | I151 | I151-G155 PolarHBondContact O-N 3.47Š|
| 156 | R | 52.1 | Low | 60.2 | Low | 241 Ų | 241 | 80.6 Ų | 80.6 | 91% | 0.909 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | 1.7 | -178.8 | -134.3 | -177.3 | -172.2 | 104.4 | 0.9 | 115.9 | L154 | L154-R156 PolarHBondContact O-N 3.21Š|
| 157 | T | 47.2 | Very low | 60.2 | Low | 63 Ų | 63 | 72.9 Ų | 72.9 | 39% | 0.387 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -97.3 | 138.4 | 170.3 | 58.4 | 0 | 0 | 0 | 0 | 110.8 | T159 A241 | T157-T159 PolarHBondContact O-N 3.17Å; T157-T159 VanDerWaalsContact O-N 3.09Å; T157-A241 HydrophobicContact CG2-CB 3.51Å; T157-A241 VanDerWaalsContact OG1-CB 3.27Å; T157-A241 WeakPolarHBondContact OG1-CB 3.44Å |
| 158 | S | 50 | Low | 59.5 | Low | 123 Ų | 123 | 75.9 Ų | 75.9 | 86% | 0.86 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | 3.3 | -168 | 41.8 | 0 | 0 | 0 | 0 | 115.5 | ||
| 159 | T | 59.5 | Low | 59 | Low | 44 Ų | 44 | 75.8 Ų | 75.8 | 27% | 0.27 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -16.5 | -169.5 | 49.8 | 0 | 0 | 0 | 0 | 114.3 | T157 R161 D243 | T157-T159 PolarHBondContact O-N 3.17Å; T157-T159 VanDerWaalsContact O-N 3.09Å; T159-R161 PolarHBondContact O-N 3.31Å; T159-R161 VanDerWaalsContact O-N 3.11Å; T159-D243 VanDerWaalsContact CB-OD1 3.22Å; T159-D243 WeakPolarHBondContact CB-OD1 3.44Å; T159-D243 WeakPolarHBondContact CG2-OD1 3.37Å; T159-D243 PolarHBondContact OG1-OD1 3.38Å |
| 160 | G | 63.2 | Low | 58.2 | Low | 24 Ų | 24 | 77.4 Ų | 77.4 | 25% | 0.247 | 46% | 0.461 | C | S | . | . | trans | 58.6 | 26.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115 | N285 | G160-N285 PolarHBondContact O-ND2 3.41Š| ||
| 161 | R | 74.6 | Confident | 57.4 | Low | 61 Ų | 61 | 80 Ų | 80 | 23% | 0.23 | 48% | 0.479 | C | S | . | . | trans | -111.8 | 117.1 | 178.3 | -71.5 | 171.7 | -179.3 | 175.2 | 5.1 | 109.3 | T159 F163 A241 L242 N281 N285 | T159-R161 PolarHBondContact O-N 3.31Å; T159-R161 VanDerWaalsContact O-N 3.11Å; R161-F163 HydrophobicContact CB-CE2 3.74Å; R161-F163 HydrophobicContact CB-CZ 4.34Å; R161-A241 WeakPolarHBondContact O-CA 3.48Å; R161-L242 PolarHBondContact O-N 3.47Å; R161-N281 WeakPolarHBondContact CA-OD1 3.49Å; R161-N285 VanDerWaalsContact CG-ND2 3.31Å; R161-N285 WeakPolarHBondContact CG-ND2 3.36Å | ||
| 162 | F | 78.3 | Confident | 56.8 | Low | 20 Ų | 20 | 81.2 Ų | 81.2 | 9% | 0.088 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.8 | -178.5 | -58.7 | -74.5 | 0 | 0 | 0 | 110.5 | L154 V240 A241 I280 N281 | L154-F162 HydrophobicContact CB-CD1 4.39Å; L154-F162 HydrophobicContact CB-CE1 3.65Å; L154-F162 HydrophobicContact CB-CZ 3.85Å; L154-F162 HydrophobicContact CD2-CD1 3.53Å; L154-F162 HydrophobicContact CD2-CE1 3.62Å; L154-F162 HydrophobicContact CD2-CG 4.33Å; L154-F162 HydrophobicContact CD2-CZ 4.48Å; L154-F162 HydrophobicContact CG-CE1 4.19Å; L154-F162 WeakPolarHBondContact O-CZ 3.38Å; F162-V240 WeakPolarHBondContact CA-O 3.36Å; F162-A241 HydrophobicContact CD1-CB 3.96Å; F162-A241 HydrophobicContact CE1-CB 3.79Å; F162-I280 HydrophobicContact CB-CD1 3.92Å; F162-I280 HydrophobicContact CB-CG1 3.95Å; F162-I280 HydrophobicContact CB-CG2 4.17Å; F162-I280 HydrophobicContact CD2-CG1 4.04Å; F162-I280 WeakPolarHBondContact CD2-O 3.43Å; F162-I280 HydrophobicContact CG-CD1 4.32Å; F162-I280 HydrophobicContact CG-CG1 4.14Å; F162-N281 PolarHBondContact N-OD1 2.97Å; F162-N281 PolarHBondContact O-ND2 2.68Å; F162-N281 PolarHBondContact O-OD1 2.99Å |
| 163 | F | 79.5 | Confident | 55.9 | Low | 11 Ų | 11 | 76.9 Ų | 76.9 | 5% | 0.048 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 152.2 | -178.3 | -57.9 | -99.9 | 0 | 0 | 0 | 108.2 | R161 A239 V240 L242 D250 F251 | R161-F163 HydrophobicContact CB-CE2 3.74Å; R161-F163 HydrophobicContact CB-CZ 4.34Å; F163-A239 CarbonylContact O-C 3.55Å; F163-A239 WeakPolarHBondContact O-CA 3.4Å; F163-V240 PolarHBondContact N-O 2.99Å; F163-V240 PolarHBondContact O-N 3.05Å; F163-L242 HydrophobicContact CD2-CB 3.32Å; F163-L242 HydrophobicContact CD2-CD2 4.1Å; F163-L242 HydrophobicContact CD2-CG 4.36Å; F163-L242 HydrophobicContact CE2-CB 3.48Å; F163-L242 VanDerWaalsContact CE2-CB 3.48Å; F163-L242 HydrophobicContact CE2-CD2 4.13Å; F163-L242 HydrophobicContact CE2-CG 4.41Å; F163-L242 HydrophobicContact CG-CB 4.26Å; F163-L242 HydrophobicContact CG-CD2 4.4Å; F163-L242 HydrophobicContact CZ-CD2 4.44Å; F163-D250 HydrophobicContact CD1-CB 4.03Å; F163-D250 HydrophobicContact CE1-CB 3.52Å; F163-D250 HydrophobicContact CZ-CB 4.08Å; F163-F251 AromaticContact CD1-CD1 3.48Å; F163-F251 HydrophobicContact CD1-CD1 3.48Å; F163-F251 VanDerWaalsContact CD1-CD1 3.48Å; F163-F251 AromaticContact CD1-CE1 3.68Å; F163-F251 HydrophobicContact CD1-CE1 3.68Å; F163-F251 HydrophobicContact CD1-CG 4.1Å; F163-F251 HydrophobicContact CD1-CZ 4.45Å; F163-F251 HydrophobicContact CE1-CB 4.22Å; F163-F251 AromaticContact CE1-CD1 3.27Å; F163-F251 HydrophobicContact CE1-CD1 3.27Å; F163-F251 AromaticContact CE1-CD2 3.89Å; F163-F251 HydrophobicContact CE1-CD2 3.89Å; F163-F251 AromaticContact CE1-CE1 3.39Å; F163-F251 HydrophobicContact CE1-CE1 3.39Å; F163-F251 AromaticContact CE1-CE2 3.99Å; F163-F251 HydrophobicContact CE1-CE2 3.99Å; F163-F251 AromaticContact CE1-CG 3.51Å; F163-F251 HydrophobicContact CE1-CG 3.51Å; F163-F251 AromaticContact CE1-CZ 3.74Å; F163-F251 HydrophobicContact CE1-CZ 3.74Å; F163-F251 HydrophobicContact CE2-CE1 4.32Å; F163-F251 HydrophobicContact CE2-CZ 4.34Å; F163-F251 HydrophobicContact CG-CD1 4.42Å; F163-F251 HydrophobicContact CG-CE1 4.26Å; F163-F251 HydrophobicContact CZ-CD1 4.09Å; F163-F251 HydrophobicContact CZ-CD2 4.31Å; F163-F251 AromaticContact CZ-CE1 3.76Å; F163-F251 HydrophobicContact CZ-CE1 3.76Å; F163-F251 AromaticContact CZ-CE2 3.99Å; F163-F251 HydrophobicContact CZ-CE2 3.99Å; F163-F251 HydrophobicContact CZ-CG 4.34Å; F163-F251 AromaticContact CZ-CZ 3.69Å; F163-F251 HydrophobicContact CZ-CZ 3.69Å |
| 164 | F | 77.1 | Confident | 55 | Low | 16 Ų | 16 | 76.3 Ų | 76.3 | 7% | 0.07 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 125.8 | 177 | -71.5 | -85.5 | 0 | 0 | 0 | 109.8 | S237 V238 A239 S254 M258 W276 Y277 I280 | F164-S237 WeakPolarHBondContact CD1-OG 3.45Å; F164-S237 WeakPolarHBondContact CE1-OG 3.39Å; F164-V238 WeakPolarHBondContact CA-O 3.38Å; F164-A239 HydrophobicContact CD1-CB 4.34Å; F164-A239 HydrophobicContact CE1-CB 4.13Å; F164-S254 PolarHBondContact N-OG 3.3Å; F164-S254 PolarHBondContact O-OG 3.05Å; F164-M258 HydrophobicContact CB-CE 3.36Å; F164-M258 HydrophobicContact CD1-CE 4.11Å; F164-M258 HydrophobicContact CD2-CE 3.61Å; F164-M258 HydrophobicContact CE2-CE 4.39Å; F164-M258 HydrophobicContact CG-CE 3.43Å; F164-M258 VanDerWaalsContact CG-CE 3.43Å; F164-W276 HydrophobicContact CE2-CB 4.29Å; F164-W276 HydrophobicContact CZ-CB 4.25Å; F164-Y277 HydrophobicContact CD2-CD1 4.3Å; F164-Y277 HydrophobicContact CD2-CD2 4.4Å; F164-Y277 AromaticContact CD2-CE1 3.85Å; F164-Y277 HydrophobicContact CD2-CE1 3.85Å; F164-Y277 AromaticContact CD2-CE2 3.94Å; F164-Y277 HydrophobicContact CD2-CE2 3.94Å; F164-Y277 AromaticContact CD2-CZ 3.64Å; F164-Y277 HydrophobicContact CE2-CD2 4.49Å; F164-Y277 HydrophobicContact CE2-CE2 4.44Å; F164-I280 HydrophobicContact CE2-CG2 4.33Å |
| 165 | D | 69.3 | Low | 54.1 | Low | 93 Ų | 93 | 79.5 Ų | 79.5 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 136.4 | 163.8 | -166.1 | 2.3 | 0 | 0 | 0 | 108.3 | G167 V238 V240 | D165-G167 VanDerWaalsContact C-N 3.34Å; D165-G167 PolarHBondContact O-N 2.83Å; D165-V238 PolarHBondContact N-O 3.15Å; D165-V240 HydrophobicContact CB-CG2 4.27Å |
| 166 | A | 61.8 | Low | 54 | Low | 37 Ų | 37 | 82.3 Ų | 82.3 | 31% | 0.306 | 53% | 0.526 | S | S | . | . | trans | -72.8 | 96.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107 | A261 | A166-A261 HydrophobicContact CB-CB 4.11Š| ||
| 167 | G | 52.1 | Low | 53.8 | Low | 28 Ų | 28 | 78.8 Ų | 78.8 | 29% | 0.289 | 53% | 0.525 | S | S | . | . | trans | -45.6 | 141 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D165 A169 | D165-G167 VanDerWaalsContact C-N 3.34Å; D165-G167 PolarHBondContact O-N 2.83Å; G167-A169 PolarHBondContact O-N 2.9Å | ||
| 168 | P | 44.9 | Very low | 53.8 | Low | 130 Ų | 130 | 80.7 Ų | 80.7 | 84% | 0.844 | 54% | 0.542 | S | S | * | . | trans | -53.8 | 107.7 | -162.5 | 21.7 | -34.5 | 0 | 0 | 0 | 110.3 | A170 | P168-A170 PolarHBondContact O-N 3.46Š| ||
| 169 | A | 42.7 | Very low | 53.6 | Low | 87 Ų | 87 | 82 Ų | 82 | 72% | 0.719 | 54% | 0.537 | S | S | * | . | trans | -50.6 | 110.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | G167 | G167-A169 PolarHBondContact O-N 2.9Š| ||
| 170 | A | 39.5 | Very low | 53 | Low | 82 Ų | 82 | 88 Ų | 88 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | trans | -51.1 | 129.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | P168 V172 | P168-A170 PolarHBondContact O-N 3.46Å; A170-V172 PolarHBondContact O-N 3.06Å | ||
| 171 | P | 39.7 | Very low | 51.8 | Low | 127 Ų | 127 | 91.6 Ų | 91.6 | 83% | 0.825 | 59% | 0.594 | S | S | * | * | trans | -58.5 | 104.8 | -159.3 | 21.3 | -33.7 | 0 | 0 | 0 | 109.9 | A173 | P171-A173 PolarHBondContact O-N 3.31Š| ||
| 172 | V | 46 | Very low | 50.3 | Low | 133 Ų | 133 | 93.1 Ų | 93.1 | 81% | 0.806 | 62% | 0.62 | S | S | * | * | trans | -57.8 | 107.7 | -176.7 | -80.9 | 0 | 0 | 0 | 0 | 108.2 | A170 A174 | A170-V172 PolarHBondContact O-N 3.06Å; V172-A174 PolarHBondContact O-N 3.37Å; V172-A174 VanDerWaalsContact O-N 3.1Å | ||
| 173 | A | 39.6 | Very low | 48.8 | Very low | 91 Ų | 91 | 97.4 Ų | 97.4 | 75% | 0.752 | 65% | 0.653 | S | S | * | * | trans | -55.5 | 121.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | P171 S175 | P171-A173 PolarHBondContact O-N 3.31Å; A173-S175 PolarHBondContact O-N 3.42Å | ||
| 174 | A | 33.5 | Very low | 47 | Very low | 86 Ų | 86 | 106.3 Ų | 106.3 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | trans | -46.1 | 109 | -163.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V172 T176 | V172-A174 PolarHBondContact O-N 3.37Å; V172-A174 VanDerWaalsContact O-N 3.1Å; A174-T176 VanDerWaalsContact C-N 3.29Å | ||
| 175 | S | 37.3 | Very low | 45.6 | Very low | 111 Ų | 111 | 110.7 Ų | 110.7 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | -97.7 | 41.7 | 162 | -73.1 | 0 | 0 | 0 | 0 | 111.5 | A173 N177 | A173-S175 PolarHBondContact O-N 3.42Å; S175-N177 PolarHBondContact O-N 3.46Å; S175-N177 VanDerWaalsContact O-N 3.07Å | ||
| 176 | T | 47.2 | Very low | 44.6 | Very low | 120 Ų | 120 | 111 Ų | 111 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | -72.6 | 93 | 162.5 | 41.6 | 0 | 0 | 0 | 0 | 109.6 | A174 S178 | A174-T176 VanDerWaalsContact C-N 3.29Å; T176-S178 VanDerWaalsContact C-N 3.31Å; T176-S178 PolarHBondContact O-N 3.39Å | ||
| 177 | N | 46.9 | Very low | 44 | Very low | 167 Ų | 167 | 118.8 Ų | 118.8 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -65.8 | 87.3 | 164.7 | -74.6 | -68.3 | 0 | 0 | 0 | 110 | S175 | S175-N177 PolarHBondContact O-N 3.46Å; S175-N177 VanDerWaalsContact O-N 3.07Å | ||
| 178 | S | 46.8 | Very low | 43.7 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -155.7 | 86.2 | 165.7 | -157.8 | 0 | 0 | 0 | 0 | 113.8 | T176 | T176-S178 VanDerWaalsContact C-N 3.31Å; T176-S178 PolarHBondContact O-N 3.39Å | ||
| 179 | I | 46 | Very low | 43.4 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | 25 | 114.9 | 126.1 | -62.1 | 178.1 | 0 | 0 | 0 | 117.1 | |||||
| 180 | L | 47.9 | Very low | 43.8 | Very low | 169 Ų | 169 | 130 Ų | 130 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | 76.9 | 97.7 | 157.1 | -60.7 | 166.6 | 0 | 0 | 0 | 121.2 | ||||
| 181 | A | 38.1 | Very low | 43.8 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -173.1 | 99.9 | 134.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 182 | A | 41.4 | Very low | 44.4 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | 76.4 | 86.8 | 77.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 183 | S | 47.5 | Very low | 44.8 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 68.7 | 116.5 | 130.9 | -54.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 184 | K | 41.9 | Very low | 45.7 | Very low | 198 Ų | 198 | 132 Ų | 132 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | 165.3 | 123.4 | 121.3 | -85 | 151.3 | -171.1 | 174.7 | 0 | 109.5 | |||||
| 185 | S | 48.4 | Very low | 46.4 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 62.1 | 125.5 | 79.6 | -149.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 186 | S | 48.5 | Very low | 47.1 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | cis | -155.3 | 142.7 | 16.9 | -40.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 187 | K | 47.6 | Very low | 47.2 | Very low | 200 Ų | 200 | 139.7 Ų | 139.7 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | 46 | 150.4 | 83.4 | -85.1 | -168.7 | 179.5 | -179.9 | 0 | 117.1 | |||||
| 188 | P | 45.5 | Very low | 47.3 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -143.8 | -154.8 | -46.3 | 42 | -21.4 | 0 | 0 | 0 | 112.7 | ||||
| 189 | L | 39.3 | Very low | 47 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | 119.8 | 135.1 | 173.3 | -71.1 | 163.9 | 0 | 0 | 0 | 109.6 | ||||
| 190 | Y | 50.5 | Low | 46.8 | Very low | 216 Ų | 216 | 140.3 Ų | 140.3 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | cis | -161.4 | 173.7 | 9.9 | 62.4 | -86 | 0 | 0 | 0 | 108.3 | ||||
| 191 | E | 41 | Very low | 46.7 | Very low | 162 Ų | 162 | 137.6 Ų | 137.6 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | cis | -164.2 | 125.5 | -35.1 | 174.6 | 162.2 | 160.6 | 0 | 0 | 112.1 | ||||
| 192 | A | 51.3 | Low | 47.2 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | 63 | 155.9 | 150.9 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 193 | P | 54 | Low | 47.4 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -129.7 | -126.3 | -160 | 38.1 | -13.4 | 0 | 0 | 0 | 111.4 | ||||
| 194 | P | 58.2 | Low | 48.1 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | cis | -132.7 | -175.2 | -35.9 | 35.8 | -17.2 | 0 | 0 | 0 | 114.5 | ||||
| 195 | S | 49 | Very low | 48.5 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -155.8 | 105.9 | 156.6 | -84 | 0 | 0 | 0 | 0 | 117 | ||||
| 196 | K | 51.5 | Low | 48.5 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | 57.6 | 96.3 | 141 | -60 | 178.2 | 180 | 176.4 | 0 | 123.4 | ||||
| 197 | L | 50.5 | Low | 48.4 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | 13.9 | 163.6 | 112.3 | -67.1 | 160.8 | 0 | 0 | 0 | 121 | |||||
| 198 | P | 49.1 | Very low | 48.3 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 70% | 0.695 | 79% | 0.79 | S | S | * | * | cis | -149.7 | 160.3 | -42.5 | 43 | -24.4 | 0 | 0 | 0 | 118 | ||||
| 199 | R | 39.2 | Very low | 48.2 | Very low | 233 Ų | 233 | 135.9 Ų | 135.9 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | 39.2 | 115.4 | 131.7 | -164.2 | -176.9 | -162.8 | 163.1 | 4.9 | 123.4 | V201 | R199-V201 HydrophobicContact CG-CG2 4.43Š| ||
| 200 | A | 43.2 | Very low | 48.7 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -164.1 | 122.8 | 137.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 201 | V | 44.6 | Very low | 48.4 | Very low | 111 Ų | 111 | 131.9 Ų | 131.9 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | 69.3 | 94.2 | 56 | -177 | 0 | 0 | 0 | 0 | 113.8 | R199 | R199-V201 HydrophobicContact CG-CG2 4.43Š| |||
| 202 | M | 49.3 | Very low | 49 | Very low | 187 Ų | 187 | 131 Ų | 131 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | -178.3 | 156.7 | 126.7 | -100.9 | 144.3 | 64.4 | 0 | 0 | 113.1 | |||||
| 203 | S | 45 | Very low | 48.7 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -94.7 | 166.4 | -163.5 | -53.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 204 | P | 62.3 | Low | 48.8 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -89.3 | -177.5 | 177.2 | 44.4 | -40.1 | 0 | 0 | 0 | 110.7 | ||||
| 205 | P | 51.1 | Low | 48.3 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | -160.7 | -167.9 | 62.4 | 45.1 | -21.4 | 0 | 0 | 0 | 118.9 | |||||
| 206 | V | 47.2 | Very low | 48.1 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 99 | 128.7 | 142.8 | 154.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 207 | A | 46.3 | Very low | 48 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | 71.6 | 123.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 208 | G | 46.5 | Very low | 48 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 177.4 | 90.4 | 163 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 209 | V | 44 | Very low | 47.7 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | -100 | 131.6 | -179.9 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 210 | V | 48 | Very low | 47.9 | Very low | 142 Ų | 142 | 128.6 Ų | 128.6 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -148.5 | 142.2 | 150.9 | 168.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 211 | L | 44.9 | Very low | 48.1 | Very low | 146 Ų | 146 | 132 Ų | 132 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -94.4 | 150.8 | 178.3 | -65.8 | 145.7 | 0 | 0 | 0 | 111.3 | ||||
| 212 | T | 54.4 | Low | 47.6 | Very low | 142 Ų | 142 | 133 Ų | 133 | 87% | 0.871 | 82% | 0.819 | S | S | * | * | trans | -160.8 | 126.3 | 149.6 | 15.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 213 | D | 44.2 | Very low | 47.5 | Very low | 154 Ų | 154 | 133.2 Ų | 133.2 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -75.5 | 141.9 | 172.4 | -49.1 | -111.2 | 0 | 0 | 0 | 111.6 | ||||
| 214 | D | 56.9 | Low | 47.2 | Very low | 158 Ų | 158 | 133.8 Ų | 133.8 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -165.1 | 158.9 | 148 | -149.8 | -118.2 | 0 | 0 | 0 | 110.7 | ||||
| 215 | D | 46.5 | Very low | 46.4 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | -66 | 151.8 | -165.7 | -69 | -115.2 | 0 | 0 | 0 | 117 | ||||
| 216 | G | 44.9 | Very low | 46.5 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | -171.4 | 90.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 217 | V | 49.4 | Very low | 46.3 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -61.3 | 129.4 | 173.2 | -75.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 218 | S | 51.3 | Low | 46.1 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -167.4 | 113.5 | 160.5 | -77.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 219 | E | 43.2 | Very low | 46.2 | Very low | 183 Ų | 183 | 137 Ų | 137 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -77.8 | 127.6 | 175.3 | -52.9 | -149.6 | 100 | 0 | 0 | 109.4 | ||||
| 220 | A | 42.1 | Very low | 46.5 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -122.2 | 83.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | T222 | A220-T222 PolarHBondContact O-N 3.29Š| ||
| 221 | E | 47.2 | Very low | 46.7 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -72 | 111.6 | -175.1 | -47.9 | -153.4 | 113.1 | 0 | 0 | 109.3 | E223 | E221-E223 VanDerWaalsContact C-N 3.32Å; E221-E223 PolarHBondContact O-N 2.83Å | ||
| 222 | T | 34.6 | Very low | 47.4 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | trans | -76 | 84.1 | 177.6 | 51 | 0 | 0 | 0 | 0 | 109.9 | A220 T224 | A220-T222 PolarHBondContact O-N 3.29Å; T222-T224 PolarHBondContact O-N 2.84Å | ||
| 223 | E | 48 | Very low | 47.9 | Very low | 191 Ų | 191 | 121 Ų | 121 | 89% | 0.893 | 72% | 0.718 | S | S | * | * | trans | -60.2 | 135.1 | 168.5 | -75.5 | -160.5 | 107 | 0 | 0 | 110.6 | E221 | E221-E223 VanDerWaalsContact C-N 3.32Å; E221-E223 PolarHBondContact O-N 2.83Å | ||
| 224 | T | 38.3 | Very low | 48.8 | Very low | 126 Ų | 126 | 114.8 Ų | 114.8 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | trans | -88.2 | 115.5 | -174 | -65.1 | 0 | 0 | 0 | 0 | 109.4 | T222 V226 | T222-T224 PolarHBondContact O-N 2.84Å; T224-V226 PolarHBondContact O-N 2.98Å | ||
| 225 | E | 44.3 | Very low | 49.1 | Very low | 190 Ų | 190 | 115.1 Ų | 115.1 | 89% | 0.888 | 68% | 0.681 | S | S | * | * | trans | -53.1 | 113.1 | 171.5 | -93.8 | -167.8 | 124.5 | 0 | 0 | 111 | ||||
| 226 | V | 55.2 | Low | 50.1 | Low | 119 Ų | 119 | 113.7 Ų | 113.7 | 72% | 0.721 | 67% | 0.669 | S | S | * | * | trans | -93 | 132 | 155.4 | -74.3 | 0 | 0 | 0 | 0 | 108 | T224 S228 | T224-V226 PolarHBondContact O-N 2.98Å; V226-S228 PolarHBondContact O-N 3.34Å | ||
| 227 | P | 41.8 | Very low | 51.3 | Low | 122 Ų | 122 | 110.9 Ų | 110.9 | 79% | 0.792 | 64% | 0.637 | S | S | * | * | trans | -67.3 | 109.9 | -174.3 | 25.7 | -33.5 | 0 | 0 | 0 | 111.1 | S229 | P227-S229 VanDerWaalsContact C-N 3.25Å; P227-S229 PolarHBondContact O-N 3.41Å | ||
| 228 | S | 42.6 | Very low | 52.5 | Low | 90 Ų | 90 | 108.1 Ų | 108.1 | 63% | 0.629 | 62% | 0.62 | S | S | * | * | trans | -83 | 37.2 | -169 | 53.6 | 0 | 0 | 0 | 0 | 114.9 | V226 S230 | V226-S228 PolarHBondContact O-N 3.34Å; S228-S230 PolarHBondContact O-N 3.49Å | ||
| 229 | S | 48.8 | Very low | 53.7 | Low | 96 Ų | 96 | 103.6 Ų | 103.6 | 67% | 0.671 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -11.9 | -172.5 | 61.8 | 0 | 0 | 0 | 0 | 115.4 | P227 | P227-S229 VanDerWaalsContact C-N 3.25Å; P227-S229 PolarHBondContact O-N 3.41Å |
| 230 | S | 50.8 | Low | 55.2 | Low | 39 Ų | 39 | 98 Ų | 98 | 27% | 0.273 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.2 | -38.9 | -176.2 | 61.9 | 0 | 0 | 0 | 0 | 114.2 | S228 S232 L233 E272 | S228-S230 PolarHBondContact O-N 3.49Å; S230-S232 PolarHBondContact O-N 3.49Å; S230-S232 VanDerWaalsContact O-N 3.17Å; S230-L233 VanDerWaalsContact O-CB 3.31Å; S230-L233 WeakPolarHBondContact O-CB 3.49Å; S230-L233 WeakPolarHBondContact O-CG 3.47Å; S230-L233 PolarHBondContact O-N 2.95Å; S230-E272 WeakPolarHBondContact CB-OE2 3.26Å; S230-E272 PolarHBondContact OG-OE2 2.97Å |
| 231 | S | 52.2 | Low | 56.9 | Low | 77 Ų | 77 | 95.1 Ų | 95.1 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -33 | 180 | -54.5 | 0 | 0 | 0 | 0 | 112.8 | L233 L234 E235 | S231-L233 VanDerWaalsContact C-N 3.25Å; S231-L233 PolarHBondContact O-N 2.64Å; S231-L234 PolarHBondContact O-N 3.47Å; S231-E235 PolarHBondContact O-N 3.07Å; S231-E235 VanDerWaalsContact O-N 3.17Å |
| 232 | S | 59.6 | Low | 58 | Low | 66 Ų | 66 | 90.4 Ų | 90.4 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -31.3 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 113.6 | S230 L234 E236 | S230-S232 PolarHBondContact O-N 3.49Å; S230-S232 VanDerWaalsContact O-N 3.17Å; S232-L234 PolarHBondContact O-N 2.95Å; S232-L234 VanDerWaalsContact O-N 3.15Å; S232-E236 WeakPolarHBondContact O-CG 3.25Å; S232-E236 PolarHBondContact O-N 2.91Å |
| 233 | L | 64.3 | Low | 59.8 | Low | 44 Ų | 44 | 89.6 Ų | 89.6 | 23% | 0.23 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -64.3 | -20.2 | -179.6 | -57.1 | 177.5 | 0 | 0 | 0 | 113.1 | S230 S231 H262 L264 A269 | S230-L233 VanDerWaalsContact O-CB 3.31Å; S230-L233 WeakPolarHBondContact O-CB 3.49Å; S230-L233 WeakPolarHBondContact O-CG 3.47Å; S230-L233 PolarHBondContact O-N 2.95Å; S231-L233 VanDerWaalsContact C-N 3.25Å; S231-L233 PolarHBondContact O-N 2.64Å; L233-H262 HydrophobicContact CD2-CB 3.96Å; L233-L264 HydrophobicContact CD1-CD2 3.85Å; L233-L264 HydrophobicContact CD2-CD2 4.5Å; L233-A269 HydrophobicContact CD1-CB 4.48Å |
| 234 | L | 62.7 | Low | 61.2 | Low | 22 Ų | 22 | 81.7 Ų | 81.7 | 12% | 0.115 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -111.9 | -36 | -167.1 | -63.7 | 145.3 | 0 | 0 | 0 | 110.5 | S231 S232 E236 S237 E272 W276 | S231-L234 PolarHBondContact O-N 3.47Å; S232-L234 PolarHBondContact O-N 2.95Å; S232-L234 VanDerWaalsContact O-N 3.15Å; L234-E236 PolarHBondContact O-N 3.45Å; L234-S237 WeakPolarHBondContact CA-OG 3.41Å; L234-S237 PolarHBondContact O-N 3.33Å; L234-S237 PolarHBondContact O-OG 2.85Å; L234-E272 HydrophobicContact CD1-CG 4.24Å; L234-W276 HydrophobicContact CD1-CD2 4.39Å; L234-W276 HydrophobicContact CD1-CG 4.44Å; L234-W276 HydrophobicContact CD1-CZ2 3.94Å; L234-W276 HydrophobicContact CD2-CB 4.09Å; L234-W276 HydrophobicContact CD2-CD2 3.86Å; L234-W276 HydrophobicContact CD2-CG 3.49Å; L234-W276 VanDerWaalsContact CD2-CG 3.49Å |
| 235 | E | 64.1 | Low | 63.2 | Low | 166 Ų | 166 | 84.2 Ų | 84.2 | 78% | 0.776 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.2 | -29.7 | 168.5 | -164.7 | 68.8 | -175.6 | 0 | 0 | 112.3 | S231 | S231-E235 PolarHBondContact O-N 3.07Å; S231-E235 VanDerWaalsContact O-N 3.17Å |
| 236 | E | 67.3 | Low | 65.3 | Low | 126 Ų | 126 | 78.2 Ų | 78.2 | 59% | 0.589 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11 | 174.8 | -69 | 177.1 | 171.7 | 0 | 0 | 113.8 | S232 L234 H262 | S232-E236 WeakPolarHBondContact O-CG 3.25Å; S232-E236 PolarHBondContact O-N 2.91Å; L234-E236 PolarHBondContact O-N 3.45Å; E236-H262 IonicContact OE2-CE1 3.5Å; E236-H262 IonicContact OE2-ND1 3.63Å |
| 237 | S | 70 | Confident | 66.8 | Low | 15 Ų | 15 | 73.3 Ų | 73.3 | 11% | 0.105 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -103.7 | 131.4 | -172.4 | 75.7 | 0 | 0 | 0 | 0 | 112.2 | F164 L234 | F164-S237 WeakPolarHBondContact CD1-OG 3.45Å; F164-S237 WeakPolarHBondContact CE1-OG 3.39Å; L234-S237 WeakPolarHBondContact CA-OG 3.41Å; L234-S237 PolarHBondContact O-N 3.33Å; L234-S237 PolarHBondContact O-OG 2.85Å |
| 238 | V | 73.5 | Confident | 69.1 | Low | 90 Ų | 90 | 70.6 Ų | 70.6 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 122.2 | -179.1 | 179 | 0 | 0 | 0 | 0 | 110 | F164 D165 V240 | F164-V238 WeakPolarHBondContact CA-O 3.38Å; D165-V238 PolarHBondContact N-O 3.15Å; V238-V240 HydrophobicContact CG1-CG2 4.28Å |
| 239 | A | 76.5 | Confident | 71.5 | Confident | 22 Ų | 22 | 74.6 Ų | 74.6 | 18% | 0.182 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 125.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L154 F163 F164 I280 | L154-A239 HydrophobicContact CD2-CB 3.89Å; F163-A239 CarbonylContact O-C 3.55Å; F163-A239 WeakPolarHBondContact O-CA 3.4Å; F164-A239 HydrophobicContact CD1-CB 4.34Å; F164-A239 HydrophobicContact CE1-CB 4.13Å; A239-I280 HydrophobicContact CB-CD1 3.25Å |
| 240 | V | 76.1 | Confident | 73.5 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 39% | 0.394 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.3 | 179.9 | -176.5 | 0 | 0 | 0 | 0 | 109 | F162 F163 D165 V238 | F162-V240 WeakPolarHBondContact CA-O 3.36Å; F163-V240 PolarHBondContact N-O 2.99Å; F163-V240 PolarHBondContact O-N 3.05Å; D165-V240 HydrophobicContact CB-CG2 4.27Å; V238-V240 HydrophobicContact CG1-CG2 4.28Å |
| 241 | A | 77.2 | Confident | 75.5 | Confident | 33 Ų | 33 | 70.5 Ų | 70.5 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 126.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110 | T157 R161 F162 | T157-A241 HydrophobicContact CG2-CB 3.51Å; T157-A241 VanDerWaalsContact OG1-CB 3.27Å; T157-A241 WeakPolarHBondContact OG1-CB 3.44Å; R161-A241 WeakPolarHBondContact O-CA 3.48Å; F162-A241 HydrophobicContact CD1-CB 3.96Å; F162-A241 HydrophobicContact CE1-CB 3.79Å |
| 242 | L | 71.1 | Confident | 77.5 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | trans | -124.4 | 125.9 | -179.8 | -162.1 | 79.4 | 0 | 0 | 0 | 110.8 | R161 F163 D250 | R161-L242 PolarHBondContact O-N 3.47Å; F163-L242 HydrophobicContact CD2-CB 3.32Å; F163-L242 HydrophobicContact CD2-CD2 4.1Å; F163-L242 HydrophobicContact CD2-CG 4.36Å; F163-L242 HydrophobicContact CE2-CB 3.48Å; F163-L242 VanDerWaalsContact CE2-CB 3.48Å; F163-L242 HydrophobicContact CE2-CD2 4.13Å; F163-L242 HydrophobicContact CE2-CG 4.41Å; F163-L242 HydrophobicContact CG-CB 4.26Å; F163-L242 HydrophobicContact CG-CD2 4.4Å; F163-L242 HydrophobicContact CZ-CD2 4.44Å; L242-D250 HydrophobicContact CD2-CB 4.04Å | ||
| 243 | D | 71.9 | Confident | 79 | Confident | 115 Ų | 115 | 69.6 Ų | 69.6 | 62% | 0.615 | 36% | 0.363 | S | S | * | . | trans | -95.3 | 102.2 | 168.5 | -69.8 | -9.4 | 0 | 0 | 0 | 107.7 | T159 | T159-D243 VanDerWaalsContact CB-OD1 3.22Å; T159-D243 WeakPolarHBondContact CB-OD1 3.44Å; T159-D243 WeakPolarHBondContact CG2-OD1 3.37Å; T159-D243 PolarHBondContact OG1-OD1 3.38Å | ||
| 244 | S | 76 | Confident | 80.2 | Confident | 26 Ų | 26 | 67.9 Ų | 67.9 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | trans | -130.3 | 151.6 | -173.1 | 72.2 | 0 | 0 | 0 | 0 | 114.4 | D250 | S244-D250 WeakPolarHBondContact CB-OD2 3.37Å; S244-D250 PolarHBondContact OG-OD2 2.93Å | ||
| 245 | D | 80.2 | Confident | 81.7 | Confident | 179 Ų | 179 | 66.8 Ų | 66.8 | 96% | 0.957 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -73.3 | -32.1 | -177.1 | -66.8 | -39.7 | 0 | 0 | 0 | 113.1 | ||
| 246 | D | 88.5 | Confident | 83 | Confident | 64 Ų | 64 | 62 Ų | 62 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | trans | -131.6 | 74.3 | -178.9 | -170.6 | -7.6 | 0 | 0 | 0 | 111.5 | F248 R249 D250 | D246-F248 PolarHBondContact O-N 2.95Å; D246-R249 HydrophobicContact CB-CB 4.34Å; D246-R249 PolarHBondContact O-N 3.09Å; D246-R249 WeakPolarHBondContact OD2-CD 2.93Å; D246-R249 VanDerWaalsContact OD2-CG 3.26Å; D246-R249 WeakPolarHBondContact OD2-CG 3.48Å; D246-R249 IonicContact OD2-NE 2.66Å; D246-D250 PolarHBondContact O-N 2.82Å | ||
| 247 | P | 87.5 | Confident | 84 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 10% | 0.104 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.1 | -24.7 | -174.1 | 24.6 | -37.1 | 0 | 0 | 0 | 113.6 | F251 L288 | P247-F251 HydrophobicContact CB-CE2 4.35Å; P247-F251 WeakPolarHBondContact O-CD2 3.47Å; P247-F251 WeakPolarHBondContact O-CG 3.41Å; P247-F251 PolarHBondContact O-N 2.99Å; P247-L288 HydrophobicContact CB-CD1 4.26Å; P247-L288 HydrophobicContact CG-CD1 3.92Å |
| 248 | F | 91 | Very high | 84.9 | Confident | 65 Ų | 65 | 60.6 Ų | 60.6 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 174.8 | 176.6 | -87.3 | 0 | 0 | 0 | 111.2 | D246 R252 L288 G291 A292 D295 | D246-F248 PolarHBondContact O-N 2.95Å; F248-R252 WeakPolarHBondContact O-CB 3.12Å; F248-R252 PolarHBondContact O-N 2.97Å; F248-R252 VanDerWaalsContact O-N 3.1Å; F248-L288 HydrophobicContact CB-CD2 4.42Å; F248-G291 VanDerWaalsContact CE2-C 3.42Å; F248-A292 HydrophobicContact CE2-CB 4.49Å; F248-D295 HydrophobicContact CZ-CB 4.15Å |
| 249 | R | 91 | Very high | 85.6 | Confident | 174 Ų | 174 | 56.9 Ų | 56.9 | 66% | 0.657 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -68.3 | -37.9 | 178.4 | -77.6 | -172.2 | 173.3 | 167.8 | -4.1 | 112.4 | D246 R252 A253 | D246-R249 HydrophobicContact CB-CB 4.34Å; D246-R249 PolarHBondContact O-N 3.09Å; D246-R249 WeakPolarHBondContact OD2-CD 2.93Å; D246-R249 VanDerWaalsContact OD2-CG 3.26Å; D246-R249 WeakPolarHBondContact OD2-CG 3.48Å; D246-R249 IonicContact OD2-NE 2.66Å; R249-R252 WeakPolarHBondContact O-CB 3.22Å; R249-R252 PolarHBondContact O-N 2.78Å; R249-A253 WeakPolarHBondContact O-CB 3.4Å; R249-A253 PolarHBondContact O-N 2.92Å |
| 250 | D | 91.6 | Very high | 86.2 | Confident | 49 Ų | 49 | 59.7 Ų | 59.7 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.3 | -39.3 | -179.4 | -53 | -51.9 | 0 | 0 | 0 | 111.6 | F163 L242 S244 D246 R252 A253 S254 | F163-D250 HydrophobicContact CD1-CB 4.03Å; F163-D250 HydrophobicContact CE1-CB 3.52Å; F163-D250 HydrophobicContact CZ-CB 4.08Å; L242-D250 HydrophobicContact CD2-CB 4.04Å; S244-D250 WeakPolarHBondContact CB-OD2 3.37Å; S244-D250 PolarHBondContact OG-OD2 2.93Å; D246-D250 PolarHBondContact O-N 2.82Å; D250-R252 VanDerWaalsContact C-N 3.31Å; D250-R252 PolarHBondContact O-N 2.78Å; D250-A253 PolarHBondContact O-N 3.23Å; D250-S254 VanDerWaalsContact O-CB 3.22Å; D250-S254 WeakPolarHBondContact O-CB 3.16Å; D250-S254 PolarHBondContact O-N 3.34Å |
| 251 | F | 92.8 | Very high | 86.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 172.4 | -77.1 | -54.4 | 0 | 0 | 0 | 110.2 | F163 P247 A253 M255 Y277 N285 L288 I289 A292 | F163-F251 AromaticContact CD1-CD1 3.48Å; F163-F251 HydrophobicContact CD1-CD1 3.48Å; F163-F251 VanDerWaalsContact CD1-CD1 3.48Å; F163-F251 AromaticContact CD1-CE1 3.68Å; F163-F251 HydrophobicContact CD1-CE1 3.68Å; F163-F251 HydrophobicContact CD1-CG 4.1Å; F163-F251 HydrophobicContact CD1-CZ 4.45Å; F163-F251 HydrophobicContact CE1-CB 4.22Å; F163-F251 AromaticContact CE1-CD1 3.27Å; F163-F251 HydrophobicContact CE1-CD1 3.27Å; F163-F251 AromaticContact CE1-CD2 3.89Å; F163-F251 HydrophobicContact CE1-CD2 3.89Å; F163-F251 AromaticContact CE1-CE1 3.39Å; F163-F251 HydrophobicContact CE1-CE1 3.39Å; F163-F251 AromaticContact CE1-CE2 3.99Å; F163-F251 HydrophobicContact CE1-CE2 3.99Å; F163-F251 AromaticContact CE1-CG 3.51Å; F163-F251 HydrophobicContact CE1-CG 3.51Å; F163-F251 AromaticContact CE1-CZ 3.74Å; F163-F251 HydrophobicContact CE1-CZ 3.74Å; F163-F251 HydrophobicContact CE2-CE1 4.32Å; F163-F251 HydrophobicContact CE2-CZ 4.34Å; F163-F251 HydrophobicContact CG-CD1 4.42Å; F163-F251 HydrophobicContact CG-CE1 4.26Å; F163-F251 HydrophobicContact CZ-CD1 4.09Å; F163-F251 HydrophobicContact CZ-CD2 4.31Å; F163-F251 AromaticContact CZ-CE1 3.76Å; F163-F251 HydrophobicContact CZ-CE1 3.76Å; F163-F251 AromaticContact CZ-CE2 3.99Å; F163-F251 HydrophobicContact CZ-CE2 3.99Å; F163-F251 HydrophobicContact CZ-CG 4.34Å; F163-F251 AromaticContact CZ-CZ 3.69Å; F163-F251 HydrophobicContact CZ-CZ 3.69Å; P247-F251 HydrophobicContact CB-CE2 4.35Å; P247-F251 WeakPolarHBondContact O-CD2 3.47Å; P247-F251 WeakPolarHBondContact O-CG 3.41Å; P247-F251 PolarHBondContact O-N 2.99Å; F251-A253 PolarHBondContact O-N 3.2Å; F251-M255 WeakPolarHBondContact O-CB 3.31Å; F251-M255 WeakPolarHBondContact O-CG 3.29Å; F251-M255 PolarHBondContact O-N 3.05Å; F251-Y277 AromaticContact CD1-CD1 3.82Å; F251-Y277 HydrophobicContact CD1-CD1 3.82Å; F251-Y277 AromaticContact CD1-CE1 3.98Å; F251-Y277 HydrophobicContact CD1-CE1 3.98Å; F251-Y277 HydrophobicContact CE1-CD1 4.11Å; F251-Y277 HydrophobicContact CE1-CE1 4.49Å; F251-N285 HydrophobicContact CE2-CB 4.2Å; F251-N285 HydrophobicContact CZ-CB 4.24Å; F251-L288 HydrophobicContact CD2-CB 4.24Å; F251-L288 HydrophobicContact CE2-CB 4.42Å; F251-I289 HydrophobicContact CD1-CG1 3.94Å; F251-I289 HydrophobicContact CD2-CG1 3.89Å; F251-I289 HydrophobicContact CE1-CD1 4.18Å; F251-I289 HydrophobicContact CE1-CG1 3.88Å; F251-I289 HydrophobicContact CE2-CD1 4.43Å; F251-I289 HydrophobicContact CE2-CG1 3.83Å; F251-I289 HydrophobicContact CG-CG1 3.98Å; F251-I289 HydrophobicContact CZ-CD1 4.06Å; F251-I289 HydrophobicContact CZ-CG1 3.83Å; F251-A292 HydrophobicContact CB-CB 3.8Å |
| 252 | R | 93.4 | Very high | 86.8 | Confident | 80 Ų | 80 | 60.4 Ų | 60.4 | 30% | 0.302 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 176.5 | 178.9 | -179.2 | 177.6 | 178.2 | 2.6 | 112 | F248 R249 D250 H256 A292 D295 | F248-R252 WeakPolarHBondContact O-CB 3.12Å; F248-R252 PolarHBondContact O-N 2.97Å; F248-R252 VanDerWaalsContact O-N 3.1Å; R249-R252 WeakPolarHBondContact O-CB 3.22Å; R249-R252 PolarHBondContact O-N 2.78Å; D250-R252 VanDerWaalsContact C-N 3.31Å; D250-R252 PolarHBondContact O-N 2.78Å; R252-H256 WeakPolarHBondContact O-CB 2.99Å; R252-H256 PolarHBondContact O-CD2 2.78Å; R252-H256 PolarHBondContact O-N 3.03Å; R252-A292 HydrophobicContact CB-CB 4Å; R252-D295 VanDerWaalsContact CD-OD2 3.25Å; R252-D295 WeakPolarHBondContact CD-OD2 3.49Å; R252-D295 VanDerWaalsContact CZ-CG 3.42Å; R252-D295 IonicContact CZ-OD1 3.88Å; R252-D295 IonicContact CZ-OD2 3.07Å; R252-D295 VanDerWaalsContact CZ-OD2 3.24Å; R252-D295 IonicContact NE-OD2 3.31Å; R252-D295 PolarHBondContact NE-OD2 3.09Å; R252-D295 IonicContact NH1-OD1 2.64Å; R252-D295 PolarHBondContact NH1-OD1 3.17Å; R252-D295 VanDerWaalsContact NH1-OD1 3.07Å; R252-D295 IonicContact NH1-OD2 3.52Å; R252-D295 PolarHBondContact NH1-OD2 3.14Å; R252-D295 IonicContact NH2-OD1 3.24Å |
| 253 | A | 91.4 | Very high | 87.3 | Confident | 43 Ų | 43 | 59.4 Ų | 59.4 | 36% | 0.355 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.9 | -52.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | R249 D250 F251 M255 H256 E257 | R249-A253 WeakPolarHBondContact O-CB 3.4Å; R249-A253 PolarHBondContact O-N 2.92Å; D250-A253 PolarHBondContact O-N 3.23Å; F251-A253 PolarHBondContact O-N 3.2Å; A253-M255 VanDerWaalsContact C-N 3.32Å; A253-M255 PolarHBondContact O-N 3.17Å; A253-H256 CarbonylContact O-C 3.57Å; A253-H256 WeakPolarHBondContact O-CA 3.48Å; A253-H256 WeakPolarHBondContact O-CB 3.36Å; A253-H256 PolarHBondContact O-N 3.18Å; A253-E257 WeakPolarHBondContact O-CG 3.4Å; A253-E257 PolarHBondContact O-N 2.54Å |
| 254 | S | 91.2 | Very high | 87.8 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60 | -37.7 | 179 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | F164 D250 M258 Y277 | F164-S254 PolarHBondContact N-OG 3.3Å; F164-S254 PolarHBondContact O-OG 3.05Å; D250-S254 VanDerWaalsContact O-CB 3.22Å; D250-S254 WeakPolarHBondContact O-CB 3.16Å; D250-S254 PolarHBondContact O-N 3.34Å; S254-M258 PolarHBondContact O-N 3.37Å; S254-Y277 WeakPolarHBondContact CB-OH 3.36Å; S254-Y277 PolarHBondContact O-OH 3.4Å; S254-Y277 PolarHBondContact OG-OH 3.05Å |
| 255 | M | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.6 | -41.7 | 169.9 | -68.8 | 176.3 | -179.4 | 0 | 0 | 113 | F251 A253 E257 M258 V259 M273 Y277 I289 A292 F293 L296 | F251-M255 WeakPolarHBondContact O-CB 3.31Å; F251-M255 WeakPolarHBondContact O-CG 3.29Å; F251-M255 PolarHBondContact O-N 3.05Å; A253-M255 VanDerWaalsContact C-N 3.32Å; A253-M255 PolarHBondContact O-N 3.17Å; M255-E257 VanDerWaalsContact C-N 3.32Å; M255-E257 PolarHBondContact O-N 3.01Å; M255-M258 PolarHBondContact O-N 3.07Å; M255-V259 WeakPolarHBondContact O-CB 3.38Å; M255-V259 VanDerWaalsContact O-CG2 3.26Å; M255-V259 WeakPolarHBondContact O-CG2 3.29Å; M255-V259 PolarHBondContact O-N 3.25Å; M255-M273 HydrophobicContact CB-CE 4.33Å; M255-M273 HydrophobicContact CB-SD 4.18Å; M255-M273 HydrophobicContact CG-CE 4.44Å; M255-M273 HydrophobicContact CG-SD 3.72Å; M255-M273 HydrophobicContact SD-SD 4.21Å; M255-Y277 HydrophobicContact CE-CD1 4.23Å; M255-Y277 HydrophobicContact CE-CD2 3.72Å; M255-Y277 HydrophobicContact CE-CE2 4.16Å; M255-Y277 HydrophobicContact CE-CG 3.78Å; M255-Y277 HydrophobicContact CG-CD2 4.05Å; M255-Y277 HydrophobicContact CG-CE1 4.4Å; M255-Y277 HydrophobicContact CG-CE2 3.51Å; M255-Y277 PolarHBondContact N-OH 3.15Å; M255-I289 HydrophobicContact CE-CG2 3.68Å; M255-A292 HydrophobicContact SD-CB 4.39Å; M255-F293 HydrophobicContact CE-CB 4.24Å; M255-F293 HydrophobicContact SD-CB 3.91Å; M255-F293 HydrophobicContact SD-CD2 4.21Å; M255-L296 HydrophobicContact CB-CD2 3.93Å; M255-L296 HydrophobicContact SD-CD2 4.43Å |
| 256 | H | 91.8 | Very high | 88.5 | Confident | 64 Ų | 64 | 58.2 Ų | 58.2 | 30% | 0.296 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 176.4 | -103 | -77 | 0 | 0 | 0 | 112.1 | R252 A253 V259 A260 L296 | R252-H256 WeakPolarHBondContact O-CB 2.99Å; R252-H256 PolarHBondContact O-CD2 2.78Å; R252-H256 PolarHBondContact O-N 3.03Å; A253-H256 CarbonylContact O-C 3.57Å; A253-H256 WeakPolarHBondContact O-CA 3.48Å; A253-H256 WeakPolarHBondContact O-CB 3.36Å; A253-H256 PolarHBondContact O-N 3.18Å; H256-V259 PolarHBondContact O-N 2.93Å; H256-A260 VanDerWaalsContact O-CB 3.32Å; H256-A260 WeakPolarHBondContact O-CB 3.36Å; H256-A260 PolarHBondContact O-N 3.1Å; H256-L296 HydrophobicContact CB-CD1 4.31Å |
| 257 | E | 89.8 | Confident | 88.6 | Confident | 103 Ų | 103 | 61.5 Ų | 61.5 | 48% | 0.481 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.4 | -45 | 177 | -73.6 | 172 | 171 | 0 | 0 | 111 | A253 M255 V259 A260 A261 | A253-E257 WeakPolarHBondContact O-CG 3.4Å; A253-E257 PolarHBondContact O-N 2.54Å; M255-E257 VanDerWaalsContact C-N 3.32Å; M255-E257 PolarHBondContact O-N 3.01Å; E257-V259 VanDerWaalsContact C-N 3.35Å; E257-V259 PolarHBondContact O-N 3.04Å; E257-A260 PolarHBondContact O-N 2.96Å; E257-A260 VanDerWaalsContact O-N 3.13Å; E257-A261 WeakPolarHBondContact O-CB 3.3Å; E257-A261 PolarHBondContact O-N 3.05Å |
| 258 | M | 87.1 | Confident | 88.7 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 4% | 0.044 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 173.5 | -168.8 | -175.7 | -70 | 0 | 0 | 112.1 | F164 S254 M255 A260 H262 L264 M273 Y277 | F164-M258 HydrophobicContact CB-CE 3.36Å; F164-M258 HydrophobicContact CD1-CE 4.11Å; F164-M258 HydrophobicContact CD2-CE 3.61Å; F164-M258 HydrophobicContact CE2-CE 4.39Å; F164-M258 HydrophobicContact CG-CE 3.43Å; F164-M258 VanDerWaalsContact CG-CE 3.43Å; S254-M258 PolarHBondContact O-N 3.37Å; M255-M258 PolarHBondContact O-N 3.07Å; M258-A260 VanDerWaalsContact C-N 3.32Å; M258-A260 PolarHBondContact O-N 3.47Å; M258-H262 PolarHBondContact O-CD2 2.86Å; M258-H262 PolarHBondContact O-N 3.38Å; M258-H262 VanDerWaalsContact O-N 3.13Å; M258-L264 HydrophobicContact CG-CD1 4.13Å; M258-L264 HydrophobicContact SD-CD1 4.5Å; M258-M273 HydrophobicContact CE-CG 4.49Å; M258-M273 HydrophobicContact CG-CG 4.49Å; M258-M273 HydrophobicContact SD-CB 4Å; M258-M273 HydrophobicContact SD-CG 3.29Å; M258-M273 WeakPolarHBondContact SD-CG 3.31Å; M258-Y277 HydrophobicContact CE-CE2 4.16Å |
| 259 | V | 90 | Very high | 88.6 | Confident | 12 Ų | 12 | 62 Ų | 62 | 7% | 0.073 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 174.2 | 170.5 | 0 | 0 | 0 | 0 | 112 | M255 H256 E257 G263 L264 L270 M273 L296 L300 | M255-V259 WeakPolarHBondContact O-CB 3.38Å; M255-V259 VanDerWaalsContact O-CG2 3.26Å; M255-V259 WeakPolarHBondContact O-CG2 3.29Å; M255-V259 PolarHBondContact O-N 3.25Å; H256-V259 PolarHBondContact O-N 2.93Å; E257-V259 VanDerWaalsContact C-N 3.35Å; E257-V259 PolarHBondContact O-N 3.04Å; V259-G263 CarbonylContact O-C 3.46Å; V259-G263 WeakPolarHBondContact O-CA 3.27Å; V259-G263 PolarHBondContact O-N 3.47Å; V259-L264 HydrophobicContact CB-CB 4.41Å; V259-L264 HydrophobicContact CG1-CB 4.4Å; V259-L264 WeakPolarHBondContact CG1-O 3.48Å; V259-L264 HydrophobicContact CG2-CB 4.13Å; V259-L264 HydrophobicContact CG2-CD1 4.32Å; V259-L264 PolarHBondContact O-N 3.2Å; V259-L270 HydrophobicContact CG2-CD2 3.66Å; V259-M273 HydrophobicContact CG2-CE 3.97Å; V259-L296 HydrophobicContact CG2-CD1 4.24Å; V259-L296 HydrophobicContact CG2-CD2 4.14Å; V259-L300 HydrophobicContact CG1-CD1 4.38Å; V259-L300 HydrophobicContact CG1-CD2 4Å |
| 260 | A | 87.7 | Confident | 88.7 | Confident | 81 Ų | 81 | 53.9 Ų | 53.9 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -74.4 | -41.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | H256 E257 M258 | H256-A260 VanDerWaalsContact O-CB 3.32Å; H256-A260 WeakPolarHBondContact O-CB 3.36Å; H256-A260 PolarHBondContact O-N 3.1Å; E257-A260 PolarHBondContact O-N 2.96Å; E257-A260 VanDerWaalsContact O-N 3.13Å; M258-A260 VanDerWaalsContact C-N 3.32Å; M258-A260 PolarHBondContact O-N 3.47Å |
| 261 | A | 85.2 | Confident | 88.8 | Confident | 63 Ų | 63 | 56.7 Ų | 56.7 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.3 | -47.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | A166 E257 | A166-A261 HydrophobicContact CB-CB 4.11Å; E257-A261 WeakPolarHBondContact O-CB 3.3Å; E257-A261 PolarHBondContact O-N 3.05Å |
| 262 | H | 80.8 | Confident | 88.7 | Confident | 51 Ų | 51 | 59.1 Ų | 59.1 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -96.3 | -0.9 | -177.2 | -58.3 | -80.6 | 0 | 0 | 0 | 113.7 | L233 E236 M258 L264 | L233-H262 HydrophobicContact CD2-CB 3.96Å; E236-H262 IonicContact OE2-CE1 3.5Å; E236-H262 IonicContact OE2-ND1 3.63Å; M258-H262 PolarHBondContact O-CD2 2.86Å; M258-H262 PolarHBondContact O-N 3.38Å; M258-H262 VanDerWaalsContact O-N 3.13Å; H262-L264 VanDerWaalsContact C-N 3.34Å; H262-L264 HydrophobicContact CB-CD2 3.54Å; H262-L264 HydrophobicContact CB-CG 3.93Å; H262-L264 PolarHBondContact O-N 2.9Å |
| 263 | G | 81.9 | Confident | 88.6 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 46% | 0.464 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 28.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | V259 R265 | V259-G263 CarbonylContact O-C 3.46Å; V259-G263 WeakPolarHBondContact O-CA 3.27Å; V259-G263 PolarHBondContact O-N 3.47Å; G263-R265 PolarHBondContact O-N 3.06Å |
| 264 | L | 82.5 | Confident | 88.8 | Confident | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | trans | -63.2 | 95.5 | -169.5 | -50.4 | -177.5 | 0 | 0 | 0 | 112.3 | L233 M258 V259 H262 A269 L270 M273 | L233-L264 HydrophobicContact CD1-CD2 3.85Å; L233-L264 HydrophobicContact CD2-CD2 4.5Å; M258-L264 HydrophobicContact CG-CD1 4.13Å; M258-L264 HydrophobicContact SD-CD1 4.5Å; V259-L264 HydrophobicContact CB-CB 4.41Å; V259-L264 HydrophobicContact CG1-CB 4.4Å; V259-L264 WeakPolarHBondContact CG1-O 3.48Å; V259-L264 HydrophobicContact CG2-CB 4.13Å; V259-L264 HydrophobicContact CG2-CD1 4.32Å; V259-L264 PolarHBondContact O-N 3.2Å; H262-L264 VanDerWaalsContact C-N 3.34Å; H262-L264 HydrophobicContact CB-CD2 3.54Å; H262-L264 HydrophobicContact CB-CG 3.93Å; H262-L264 PolarHBondContact O-N 2.9Å; L264-A269 HydrophobicContact CD2-CB 4.09Å; L264-L270 HydrophobicContact CB-CD2 4.13Å; L264-M273 HydrophobicContact CD1-CB 4.29Å | ||
| 265 | R | 81.5 | Confident | 88.8 | Confident | 193 Ų | 193 | 58 Ų | 58 | 73% | 0.728 | 32% | 0.316 | S | S | * | . | trans | -111 | -15.3 | 177.2 | -71.2 | 176.8 | 177.1 | -89.5 | -1.4 | 113.6 | G263 | G263-R265 PolarHBondContact O-N 3.06Š| ||
| 266 | D | 89 | Confident | 88.7 | Confident | 93 Ų | 93 | 61.9 Ų | 61.9 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -84.7 | 137.2 | 179.7 | -64.2 | -46.9 | 0 | 0 | 0 | 111.5 | A268 A269 L270 | D266-A268 VanDerWaalsContact C-N 3.26Å; D266-A268 PolarHBondContact O-N 3.48Å; D266-A269 PolarHBondContact O-N 2.97Å; D266-L270 PolarHBondContact O-N 3.27Å; D266-L270 VanDerWaalsContact O-N 3.07Å |
| 267 | W | 90.6 | Very high | 88.7 | Confident | 132 Ų | 132 | 58.9 Ų | 58.9 | 50% | 0.5 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.3 | -39.2 | -179 | 176.3 | -98.5 | 0 | 0 | 0 | 112.7 | A269 L270 Q271 F293 L297 | W267-A269 PolarHBondContact O-N 2.94Å; W267-L270 PolarHBondContact O-N 2.87Å; W267-Q271 VanDerWaalsContact O-CB 3.3Å; W267-Q271 WeakPolarHBondContact O-CB 3.01Å; W267-Q271 PolarHBondContact O-N 3.29Å; W267-F293 HydrophobicContact CH2-CE1 4.31Å; W267-F293 HydrophobicContact CZ3-CE1 4.49Å; W267-L297 HydrophobicContact CH2-CD1 4.38Å; W267-L297 HydrophobicContact CZ3-CD1 3.92Å; W267-L297 HydrophobicContact CZ3-CD2 4.21Å |
| 268 | A | 91 | Very high | 88.8 | Confident | 71 Ų | 71 | 56 Ų | 56 | 59% | 0.587 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59.5 | -46.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D266 Q271 E272 | D266-A268 VanDerWaalsContact C-N 3.26Å; D266-A268 PolarHBondContact O-N 3.48Å; A268-Q271 PolarHBondContact O-N 3.41Å; A268-E272 WeakPolarHBondContact O-CB 3.42Å; A268-E272 PolarHBondContact O-N 3.11Å |
| 269 | A | 88.3 | Confident | 88.9 | Confident | 20 Ų | 20 | 63 Ų | 63 | 17% | 0.165 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.8 | -35.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L233 L264 D266 W267 E272 M273 | L233-A269 HydrophobicContact CD1-CB 4.48Å; L264-A269 HydrophobicContact CD2-CB 4.09Å; D266-A269 PolarHBondContact O-N 2.97Å; W267-A269 PolarHBondContact O-N 2.94Å; A269-E272 PolarHBondContact O-N 3.37Å; A269-M273 WeakPolarHBondContact O-CB 3.28Å; A269-M273 PolarHBondContact O-N 2.98Å |
| 270 | L | 92.5 | Very high | 88.8 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 172.3 | -70.6 | 171 | 0 | 0 | 0 | 112 | V259 L264 D266 W267 M273 L274 F293 L297 L300 | V259-L270 HydrophobicContact CG2-CD2 3.66Å; L264-L270 HydrophobicContact CB-CD2 4.13Å; D266-L270 PolarHBondContact O-N 3.27Å; D266-L270 VanDerWaalsContact O-N 3.07Å; W267-L270 PolarHBondContact O-N 2.87Å; L270-M273 HydrophobicContact CD2-CE 3.88Å; L270-L274 PolarHBondContact O-N 3.22Å; L270-F293 HydrophobicContact CB-CE2 4.15Å; L270-F293 HydrophobicContact CB-CZ 4.09Å; L270-F293 VanDerWaalsContact O-CE2 3.29Å; L270-F293 WeakPolarHBondContact O-CE2 3.22Å; L270-L297 HydrophobicContact CD1-CD2 4.11Å; L270-L300 HydrophobicContact CD1-CD1 4.29Å; L270-L300 HydrophobicContact CD2-CD1 4.28Å |
| 271 | Q | 93.3 | Very high | 88.9 | Confident | 108 Ų | 108 | 60.4 Ų | 60.4 | 51% | 0.505 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 176.5 | -178.9 | -179.7 | -40.5 | 0 | 0 | 111.7 | W267 A268 L274 L275 | W267-Q271 VanDerWaalsContact O-CB 3.3Å; W267-Q271 WeakPolarHBondContact O-CB 3.01Å; W267-Q271 PolarHBondContact O-N 3.29Å; A268-Q271 PolarHBondContact O-N 3.41Å; Q271-L274 PolarHBondContact O-N 2.56Å; Q271-L275 WeakPolarHBondContact O-CB 3.37Å; Q271-L275 PolarHBondContact O-N 3.11Å |
| 272 | E | 90.9 | Very high | 88.9 | Confident | 51 Ų | 51 | 59 Ų | 59 | 24% | 0.238 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -51.5 | 175.2 | -175.4 | 163.9 | -172.7 | 0 | 0 | 111 | S230 L234 A268 A269 L274 L275 W276 | S230-E272 WeakPolarHBondContact CB-OE2 3.26Å; S230-E272 PolarHBondContact OG-OE2 2.97Å; L234-E272 HydrophobicContact CD1-CG 4.24Å; A268-E272 WeakPolarHBondContact O-CB 3.42Å; A268-E272 PolarHBondContact O-N 3.11Å; A269-E272 PolarHBondContact O-N 3.37Å; E272-L274 VanDerWaalsContact C-N 3.29Å; E272-L274 PolarHBondContact O-N 2.82Å; E272-L275 WeakPolarHBondContact O-CA 3.32Å; E272-L275 WeakPolarHBondContact O-CB 3.31Å; E272-L275 PolarHBondContact O-N 3.05Å; E272-W276 PolarHBondContact O-N 3.48Å |
| 273 | M | 92.5 | Very high | 89.3 | Confident | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.015 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -49.8 | -48.4 | 173 | 170.3 | -89.7 | -74.3 | 0 | 0 | 111.9 | M255 M258 V259 L264 A269 L270 L275 W276 Y277 F293 L296 | M255-M273 HydrophobicContact CB-CE 4.33Å; M255-M273 HydrophobicContact CB-SD 4.18Å; M255-M273 HydrophobicContact CG-CE 4.44Å; M255-M273 HydrophobicContact CG-SD 3.72Å; M255-M273 HydrophobicContact SD-SD 4.21Å; M258-M273 HydrophobicContact CE-CG 4.49Å; M258-M273 HydrophobicContact CG-CG 4.49Å; M258-M273 HydrophobicContact SD-CB 4Å; M258-M273 HydrophobicContact SD-CG 3.29Å; M258-M273 WeakPolarHBondContact SD-CG 3.31Å; V259-M273 HydrophobicContact CG2-CE 3.97Å; L264-M273 HydrophobicContact CD1-CB 4.29Å; A269-M273 WeakPolarHBondContact O-CB 3.28Å; A269-M273 PolarHBondContact O-N 2.98Å; L270-M273 HydrophobicContact CD2-CE 3.88Å; M273-L275 VanDerWaalsContact C-N 3.34Å; M273-L275 PolarHBondContact O-N 2.72Å; M273-W276 PolarHBondContact O-N 2.92Å; M273-W276 VanDerWaalsContact O-N 3.17Å; M273-Y277 HydrophobicContact CG-CD2 4.2Å; M273-Y277 HydrophobicContact CG-CE2 3.92Å; M273-Y277 VanDerWaalsContact O-CD2 3.31Å; M273-Y277 WeakPolarHBondContact O-CD2 3.42Å; M273-Y277 PolarHBondContact O-N 3.32Å; M273-Y277 HydrophobicContact SD-CD2 3.88Å; M273-Y277 HydrophobicContact SD-CE2 3.77Å; M273-F293 HydrophobicContact CE-CD2 3.95Å; M273-F293 HydrophobicContact CE-CE2 3.75Å; M273-F293 HydrophobicContact SD-CD2 4.27Å; M273-F293 HydrophobicContact SD-CE2 4.38Å; M273-L296 HydrophobicContact CE-CD2 3.68Å |
| 274 | L | 94 | Very high | 89.5 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 15% | 0.147 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 174.9 | 174.9 | 63.5 | 0 | 0 | 0 | 112.4 | L270 Q271 E272 W276 Y277 L278 I289 F293 | L270-L274 PolarHBondContact O-N 3.22Å; Q271-L274 PolarHBondContact O-N 2.56Å; E272-L274 VanDerWaalsContact C-N 3.29Å; E272-L274 PolarHBondContact O-N 2.82Å; L274-W276 VanDerWaalsContact C-N 3.26Å; L274-W276 PolarHBondContact O-N 2.89Å; L274-Y277 PolarHBondContact O-N 3.44Å; L274-L278 HydrophobicContact CD1-CD1 4.13Å; L274-L278 HydrophobicContact CD1-CG 4.23Å; L274-L278 HydrophobicContact CG-CD1 4Å; L274-L278 HydrophobicContact CG-CG 4.49Å; L274-L278 WeakPolarHBondContact O-CG 3.33Å; L274-L278 PolarHBondContact O-N 3.3Å; L274-I289 HydrophobicContact CD1-CG2 3.81Å; L274-F293 HydrophobicContact CB-CD2 4Å; L274-F293 HydrophobicContact CB-CE2 3.91Å; L274-F293 HydrophobicContact CB-CG 4.36Å; L274-F293 HydrophobicContact CB-CZ 4.19Å; L274-F293 HydrophobicContact CD1-CB 3.92Å; L274-F293 HydrophobicContact CD1-CD1 4.36Å; L274-F293 HydrophobicContact CD1-CD2 4.26Å; L274-F293 HydrophobicContact CD1-CG 3.94Å; L274-F293 HydrophobicContact CD2-CD1 3.74Å; L274-F293 HydrophobicContact CD2-CE1 3.79Å; L274-F293 HydrophobicContact CD2-CG 4.12Å; L274-F293 HydrophobicContact CD2-CZ 4.24Å; L274-F293 HydrophobicContact CG-CD1 4.47Å; L274-F293 HydrophobicContact CG-CD2 4.48Å; L274-F293 HydrophobicContact CG-CG 4.36Å |
| 275 | L | 92.8 | Very high | 89.8 | Confident | 75 Ų | 75 | 68.8 Ų | 68.8 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.6 | -34.5 | 179 | -177.1 | 60.8 | 0 | 0 | 0 | 111.9 | Q271 E272 M273 L278 R279 | Q271-L275 WeakPolarHBondContact O-CB 3.37Å; Q271-L275 PolarHBondContact O-N 3.11Å; E272-L275 WeakPolarHBondContact O-CA 3.32Å; E272-L275 WeakPolarHBondContact O-CB 3.31Å; E272-L275 PolarHBondContact O-N 3.05Å; M273-L275 VanDerWaalsContact C-N 3.34Å; M273-L275 PolarHBondContact O-N 2.72Å; L275-L278 PolarHBondContact O-N 3.19Å; L275-R279 HydrophobicContact CD1-CG 4.4Å; L275-R279 HydrophobicContact CG-CG 4.5Å; L275-R279 WeakPolarHBondContact O-CB 3.39Å; L275-R279 VanDerWaalsContact O-CG 3.25Å; L275-R279 WeakPolarHBondContact O-CG 3.41Å; L275-R279 PolarHBondContact O-N 3Å |
| 276 | W | 89.7 | Confident | 90.3 | Very high | 83 Ų | 83 | 62.2 Ų | 62.2 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67 | -47.2 | 174.6 | -75.9 | 99.8 | 0 | 0 | 0 | 112.9 | F164 L234 E272 M273 L274 L278 R279 I280 | F164-W276 HydrophobicContact CE2-CB 4.29Å; F164-W276 HydrophobicContact CZ-CB 4.25Å; L234-W276 HydrophobicContact CD1-CD2 4.39Å; L234-W276 HydrophobicContact CD1-CG 4.44Å; L234-W276 HydrophobicContact CD1-CZ2 3.94Å; L234-W276 HydrophobicContact CD2-CB 4.09Å; L234-W276 HydrophobicContact CD2-CD2 3.86Å; L234-W276 HydrophobicContact CD2-CG 3.49Å; L234-W276 VanDerWaalsContact CD2-CG 3.49Å; E272-W276 PolarHBondContact O-N 3.48Å; M273-W276 PolarHBondContact O-N 2.92Å; M273-W276 VanDerWaalsContact O-N 3.17Å; L274-W276 VanDerWaalsContact C-N 3.26Å; L274-W276 PolarHBondContact O-N 2.89Å; W276-L278 VanDerWaalsContact C-N 3.27Å; W276-L278 PolarHBondContact O-N 3.16Å; W276-R279 PolarHBondContact O-N 2.94Å; W276-R279 VanDerWaalsContact O-N 3.16Å; W276-I280 VanDerWaalsContact O-CG2 3.32Å; W276-I280 WeakPolarHBondContact O-CG2 3.35Å; W276-I280 PolarHBondContact O-N 3.36Å |
| 277 | Y | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 173.1 | -80.1 | -84.7 | 0 | 0 | 0 | 112 | F164 F251 S254 M255 M258 M273 L274 N281 I289 | F164-Y277 HydrophobicContact CD2-CD1 4.3Å; F164-Y277 HydrophobicContact CD2-CD2 4.4Å; F164-Y277 AromaticContact CD2-CE1 3.85Å; F164-Y277 HydrophobicContact CD2-CE1 3.85Å; F164-Y277 AromaticContact CD2-CE2 3.94Å; F164-Y277 HydrophobicContact CD2-CE2 3.94Å; F164-Y277 AromaticContact CD2-CZ 3.64Å; F164-Y277 HydrophobicContact CE2-CD2 4.49Å; F164-Y277 HydrophobicContact CE2-CE2 4.44Å; F251-Y277 AromaticContact CD1-CD1 3.82Å; F251-Y277 HydrophobicContact CD1-CD1 3.82Å; F251-Y277 AromaticContact CD1-CE1 3.98Å; F251-Y277 HydrophobicContact CD1-CE1 3.98Å; F251-Y277 HydrophobicContact CE1-CD1 4.11Å; F251-Y277 HydrophobicContact CE1-CE1 4.49Å; S254-Y277 WeakPolarHBondContact CB-OH 3.36Å; S254-Y277 PolarHBondContact O-OH 3.4Å; S254-Y277 PolarHBondContact OG-OH 3.05Å; M255-Y277 HydrophobicContact CE-CD1 4.23Å; M255-Y277 HydrophobicContact CE-CD2 3.72Å; M255-Y277 HydrophobicContact CE-CE2 4.16Å; M255-Y277 HydrophobicContact CE-CG 3.78Å; M255-Y277 HydrophobicContact CG-CD2 4.05Å; M255-Y277 HydrophobicContact CG-CE1 4.4Å; M255-Y277 HydrophobicContact CG-CE2 3.51Å; M255-Y277 PolarHBondContact N-OH 3.15Å; M258-Y277 HydrophobicContact CE-CE2 4.16Å; M273-Y277 HydrophobicContact CG-CD2 4.2Å; M273-Y277 HydrophobicContact CG-CE2 3.92Å; M273-Y277 VanDerWaalsContact O-CD2 3.31Å; M273-Y277 WeakPolarHBondContact O-CD2 3.42Å; M273-Y277 PolarHBondContact O-N 3.32Å; M273-Y277 HydrophobicContact SD-CD2 3.88Å; M273-Y277 HydrophobicContact SD-CE2 3.77Å; L274-Y277 PolarHBondContact O-N 3.44Å; Y277-N281 VanDerWaalsContact O-CB 3.28Å; Y277-N281 WeakPolarHBondContact O-CB 3.43Å; Y277-N281 PolarHBondContact O-N 3.05Å; Y277-N281 VanDerWaalsContact O-N 3.15Å; Y277-N281 PolarHBondContact O-ND2 2.94Å; Y277-I289 HydrophobicContact CG-CG2 4.48Å |
| 278 | L | 93 | Very high | 90.6 | Very high | 42 Ų | 42 | 58 Ų | 58 | 22% | 0.22 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.6 | -31.8 | 178.2 | -66.5 | 174 | 0 | 0 | 0 | 113.5 | L274 L275 W276 H286 I289 V290 | L274-L278 HydrophobicContact CD1-CD1 4.13Å; L274-L278 HydrophobicContact CD1-CG 4.23Å; L274-L278 HydrophobicContact CG-CD1 4Å; L274-L278 HydrophobicContact CG-CG 4.49Å; L274-L278 WeakPolarHBondContact O-CG 3.33Å; L274-L278 PolarHBondContact O-N 3.3Å; L275-L278 PolarHBondContact O-N 3.19Å; W276-L278 VanDerWaalsContact C-N 3.27Å; W276-L278 PolarHBondContact O-N 3.16Å; L278-H286 HydrophobicContact CD2-CB 3.71Å; L278-H286 PolarHBondContact O-CE1 3.17Å; L278-H286 VanDerWaalsContact O-CE1 3.26Å; L278-H286 PolarHBondContact O-NE2 2.97Å; L278-I289 HydrophobicContact CD2-CB 4.22Å; L278-I289 HydrophobicContact CD2-CG2 3.8Å; L278-I289 HydrophobicContact CG-CG2 4.15Å; L278-V290 HydrophobicContact CD2-CG2 4.3Å |
| 279 | R | 89.5 | Confident | 90.8 | Very high | 156 Ų | 156 | 54.6 Ų | 54.6 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -72.9 | -44.3 | 176.6 | -79.8 | 170.9 | 171.9 | 176 | -3.6 | 112.5 | L275 W276 | L275-R279 HydrophobicContact CD1-CG 4.4Å; L275-R279 HydrophobicContact CG-CG 4.5Å; L275-R279 WeakPolarHBondContact O-CB 3.39Å; L275-R279 VanDerWaalsContact O-CG 3.25Å; L275-R279 WeakPolarHBondContact O-CG 3.41Å; L275-R279 PolarHBondContact O-N 3Å; W276-R279 PolarHBondContact O-N 2.94Å; W276-R279 VanDerWaalsContact O-N 3.16Å |
| 280 | I | 87.1 | Confident | 91.2 | Very high | 34 Ų | 34 | 56.8 Ų | 56.8 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -78.9 | -30 | -175 | -162 | 170.7 | 0 | 0 | 0 | 112.9 | F162 F164 A239 W276 | F162-I280 HydrophobicContact CB-CD1 3.92Å; F162-I280 HydrophobicContact CB-CG1 3.95Å; F162-I280 HydrophobicContact CB-CG2 4.17Å; F162-I280 HydrophobicContact CD2-CG1 4.04Å; F162-I280 WeakPolarHBondContact CD2-O 3.43Å; F162-I280 HydrophobicContact CG-CD1 4.32Å; F162-I280 HydrophobicContact CG-CG1 4.14Å; F164-I280 HydrophobicContact CE2-CG2 4.33Å; A239-I280 HydrophobicContact CB-CD1 3.25Å; W276-I280 VanDerWaalsContact O-CG2 3.32Å; W276-I280 WeakPolarHBondContact O-CG2 3.35Å; W276-I280 PolarHBondContact O-N 3.36Å |
| 281 | N | 88.9 | Confident | 91.3 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -91.3 | 142 | 178.4 | -72.9 | -86 | 0 | 0 | 0 | 112.2 | R161 F162 Y277 N285 H286 I289 | R161-N281 WeakPolarHBondContact CA-OD1 3.49Å; F162-N281 PolarHBondContact N-OD1 2.97Å; F162-N281 PolarHBondContact O-ND2 2.68Å; F162-N281 PolarHBondContact O-OD1 2.99Å; Y277-N281 VanDerWaalsContact O-CB 3.28Å; Y277-N281 WeakPolarHBondContact O-CB 3.43Å; Y277-N281 PolarHBondContact O-N 3.05Å; Y277-N281 VanDerWaalsContact O-N 3.15Å; Y277-N281 PolarHBondContact O-ND2 2.94Å; N281-N285 HydrophobicContact CB-CB 4.19Å; N281-H286 PolarHBondContact O-NE2 3.39Å; N281-I289 HydrophobicContact CB-CD1 3.53Å |
| 282 | G | 86.1 | Confident | 91.4 | Very high | 35 Ų | 35 | 52.6 Ų | 52.6 | 36% | 0.361 | 27% | 0.273 | S | S | . | . | trans | -61.2 | 150.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H284 N285 H286 | G282-H284 PolarHBondContact O-N 3.27Å; G282-N285 PolarHBondContact O-N 3.49Å; G282-H286 PolarHBondContact O-CD2 3.05Å | ||
| 283 | K | 89.1 | Confident | 91.7 | Very high | 188 Ų | 188 | 50.5 Ų | 50.5 | 82% | 0.817 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -48.8 | -26.7 | -175.3 | -63.5 | -178.5 | -179.9 | -179.1 | 0 | 115.1 | N285 H286 | K283-N285 VanDerWaalsContact C-N 3.3Å; K283-N285 PolarHBondContact O-N 3.38Å; K283-H286 WeakPolarHBondContact O-CB 3.48Å; K283-H286 PolarHBondContact O-N 2.94Å |
| 284 | H | 87 | Confident | 91.8 | Very high | 120 Ų | 120 | 54.2 Ų | 54.2 | 56% | 0.556 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -62.2 | -30.4 | 176.8 | 72 | -80.5 | 0 | 0 | 0 | 114.2 | G282 | G282-H284 PolarHBondContact O-N 3.27Š|
| 285 | N | 88.2 | Confident | 91.9 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.011 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -88.6 | -10.2 | 178.5 | -64.2 | -43.9 | 0 | 0 | 0 | 113.1 | G160 R161 F251 N281 G282 K283 A287 L288 I289 | G160-N285 PolarHBondContact O-ND2 3.41Å; R161-N285 VanDerWaalsContact CG-ND2 3.31Å; R161-N285 WeakPolarHBondContact CG-ND2 3.36Å; F251-N285 HydrophobicContact CE2-CB 4.2Å; F251-N285 HydrophobicContact CZ-CB 4.24Å; N281-N285 HydrophobicContact CB-CB 4.19Å; G282-N285 PolarHBondContact O-N 3.49Å; K283-N285 VanDerWaalsContact C-N 3.3Å; K283-N285 PolarHBondContact O-N 3.38Å; N285-A287 VanDerWaalsContact C-N 3.27Å; N285-A287 PolarHBondContact O-N 2.96Å; N285-L288 WeakPolarHBondContact O-CB 3.33Å; N285-L288 PolarHBondContact O-N 3.01Å; N285-I289 HydrophobicContact CB-CD1 3.93Å; N285-I289 HydrophobicContact CB-CG1 4.47Å; N285-I289 WeakPolarHBondContact O-CG1 3.33Å; N285-I289 PolarHBondContact O-N 3.49Å |
| 286 | H | 92.5 | Very high | 92 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 26% | 0.255 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.4 | -36.1 | -171.2 | -70.1 | -168.4 | 0 | 0 | 0 | 112.9 | L278 N281 G282 K283 I289 V290 | L278-H286 HydrophobicContact CD2-CB 3.71Å; L278-H286 PolarHBondContact O-CE1 3.17Å; L278-H286 VanDerWaalsContact O-CE1 3.26Å; L278-H286 PolarHBondContact O-NE2 2.97Å; N281-H286 PolarHBondContact O-NE2 3.39Å; G282-H286 PolarHBondContact O-CD2 3.05Å; K283-H286 WeakPolarHBondContact O-CB 3.48Å; K283-H286 PolarHBondContact O-N 2.94Å; H286-I289 PolarHBondContact O-N 2.91Å; H286-V290 WeakPolarHBondContact O-CB 3.4Å; H286-V290 WeakPolarHBondContact O-CG2 3.38Å; H286-V290 PolarHBondContact O-N 3.44Å |
| 287 | A | 92.6 | Very high | 92.2 | Very high | 81 Ų | 81 | 48.6 Ų | 48.6 | 67% | 0.669 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.9 | -37.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | N285 G291 | N285-A287 VanDerWaalsContact C-N 3.27Å; N285-A287 PolarHBondContact O-N 2.96Å; A287-G291 PolarHBondContact O-N 2.78Å |
| 288 | L | 93.3 | Very high | 92.3 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 29% | 0.293 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70 | -44.1 | 176.5 | -61.2 | 171 | 0 | 0 | 0 | 110.8 | P247 F248 F251 N285 G291 A292 | P247-L288 HydrophobicContact CB-CD1 4.26Å; P247-L288 HydrophobicContact CG-CD1 3.92Å; F248-L288 HydrophobicContact CB-CD2 4.42Å; F251-L288 HydrophobicContact CD2-CB 4.24Å; F251-L288 HydrophobicContact CE2-CB 4.42Å; N285-L288 WeakPolarHBondContact O-CB 3.33Å; N285-L288 PolarHBondContact O-N 3.01Å; L288-G291 PolarHBondContact O-N 3.01Å; L288-A292 WeakPolarHBondContact O-CB 3.35Å; L288-A292 PolarHBondContact O-N 3.4Å |
| 289 | I | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 178.1 | -69.3 | 164 | 0 | 0 | 0 | 110.8 | F251 M255 L274 Y277 L278 N281 N285 H286 G291 A292 F293 | F251-I289 HydrophobicContact CD1-CG1 3.94Å; F251-I289 HydrophobicContact CD2-CG1 3.89Å; F251-I289 HydrophobicContact CE1-CD1 4.18Å; F251-I289 HydrophobicContact CE1-CG1 3.88Å; F251-I289 HydrophobicContact CE2-CD1 4.43Å; F251-I289 HydrophobicContact CE2-CG1 3.83Å; F251-I289 HydrophobicContact CG-CG1 3.98Å; F251-I289 HydrophobicContact CZ-CD1 4.06Å; F251-I289 HydrophobicContact CZ-CG1 3.83Å; M255-I289 HydrophobicContact CE-CG2 3.68Å; L274-I289 HydrophobicContact CD1-CG2 3.81Å; Y277-I289 HydrophobicContact CG-CG2 4.48Å; L278-I289 HydrophobicContact CD2-CB 4.22Å; L278-I289 HydrophobicContact CD2-CG2 3.8Å; L278-I289 HydrophobicContact CG-CG2 4.15Å; N281-I289 HydrophobicContact CB-CD1 3.53Å; N285-I289 HydrophobicContact CB-CD1 3.93Å; N285-I289 HydrophobicContact CB-CG1 4.47Å; N285-I289 WeakPolarHBondContact O-CG1 3.33Å; N285-I289 PolarHBondContact O-N 3.49Å; H286-I289 PolarHBondContact O-N 2.91Å; I289-G291 PolarHBondContact O-N 3.37Å; I289-A292 PolarHBondContact O-N 3.3Å; I289-F293 WeakPolarHBondContact O-CB 3.13Å; I289-F293 PolarHBondContact O-N 3.06Å |
| 290 | V | 96.1 | Very high | 92.3 | Very high | 65 Ų | 65 | 45.4 Ų | 45.4 | 39% | 0.394 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L278 H286 F293 V294 | L278-V290 HydrophobicContact CD2-CG2 4.3Å; H286-V290 WeakPolarHBondContact O-CB 3.4Å; H286-V290 WeakPolarHBondContact O-CG2 3.38Å; H286-V290 PolarHBondContact O-N 3.44Å; V290-F293 PolarHBondContact O-N 3.34Å; V290-V294 WeakPolarHBondContact O-CG2 3.29Å; V290-V294 PolarHBondContact O-N 3.36Å |
| 291 | G | 95.6 | Very high | 92.4 | Very high | 26 Ų | 26 | 45 Ų | 45 | 27% | 0.268 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | F248 A287 L288 I289 F293 V294 D295 | F248-G291 VanDerWaalsContact CE2-C 3.42Å; A287-G291 PolarHBondContact O-N 2.78Å; L288-G291 PolarHBondContact O-N 3.01Å; I289-G291 PolarHBondContact O-N 3.37Å; G291-F293 VanDerWaalsContact C-N 3.33Å; G291-F293 PolarHBondContact O-N 3.12Å; G291-V294 PolarHBondContact O-N 2.95Å; G291-D295 PolarHBondContact O-N 3.48Å |
| 292 | A | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F248 F251 R252 M255 L288 I289 D295 L296 | F248-A292 HydrophobicContact CE2-CB 4.49Å; F251-A292 HydrophobicContact CB-CB 3.8Å; R252-A292 HydrophobicContact CB-CB 4Å; M255-A292 HydrophobicContact SD-CB 4.39Å; L288-A292 WeakPolarHBondContact O-CB 3.35Å; L288-A292 PolarHBondContact O-N 3.4Å; I289-A292 PolarHBondContact O-N 3.3Å; A292-D295 PolarHBondContact O-N 2.88Å; A292-L296 WeakPolarHBondContact O-CB 3.48Å; A292-L296 PolarHBondContact O-N 3Å |
| 293 | F | 96.2 | Very high | 92.4 | Very high | 7 Ų | 7 | 50.4 Ų | 50.4 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 175.4 | -176.7 | -101.3 | 0 | 0 | 0 | 112.7 | M255 W267 L270 M273 L274 I289 V290 G291 L296 L297 | M255-F293 HydrophobicContact CE-CB 4.24Å; M255-F293 HydrophobicContact SD-CB 3.91Å; M255-F293 HydrophobicContact SD-CD2 4.21Å; W267-F293 HydrophobicContact CH2-CE1 4.31Å; W267-F293 HydrophobicContact CZ3-CE1 4.49Å; L270-F293 HydrophobicContact CB-CE2 4.15Å; L270-F293 HydrophobicContact CB-CZ 4.09Å; L270-F293 VanDerWaalsContact O-CE2 3.29Å; L270-F293 WeakPolarHBondContact O-CE2 3.22Å; M273-F293 HydrophobicContact CE-CD2 3.95Å; M273-F293 HydrophobicContact CE-CE2 3.75Å; M273-F293 HydrophobicContact SD-CD2 4.27Å; M273-F293 HydrophobicContact SD-CE2 4.38Å; L274-F293 HydrophobicContact CB-CD2 4Å; L274-F293 HydrophobicContact CB-CE2 3.91Å; L274-F293 HydrophobicContact CB-CG 4.36Å; L274-F293 HydrophobicContact CB-CZ 4.19Å; L274-F293 HydrophobicContact CD1-CB 3.92Å; L274-F293 HydrophobicContact CD1-CD1 4.36Å; L274-F293 HydrophobicContact CD1-CD2 4.26Å; L274-F293 HydrophobicContact CD1-CG 3.94Å; L274-F293 HydrophobicContact CD2-CD1 3.74Å; L274-F293 HydrophobicContact CD2-CE1 3.79Å; L274-F293 HydrophobicContact CD2-CG 4.12Å; L274-F293 HydrophobicContact CD2-CZ 4.24Å; L274-F293 HydrophobicContact CG-CD1 4.47Å; L274-F293 HydrophobicContact CG-CD2 4.48Å; L274-F293 HydrophobicContact CG-CG 4.36Å; I289-F293 WeakPolarHBondContact O-CB 3.13Å; I289-F293 PolarHBondContact O-N 3.06Å; V290-F293 PolarHBondContact O-N 3.34Å; G291-F293 VanDerWaalsContact C-N 3.33Å; G291-F293 PolarHBondContact O-N 3.12Å; F293-L296 HydrophobicContact CD2-CD2 3.98Å; F293-L296 HydrophobicContact CE2-CD2 4.35Å; F293-L296 WeakPolarHBondContact O-CB 3.25Å; F293-L296 PolarHBondContact O-N 3.07Å; F293-L297 HydrophobicContact CD1-CD1 4Å; F293-L297 HydrophobicContact CD1-CG 4.29Å; F293-L297 HydrophobicContact CE1-CD1 3.6Å; F293-L297 HydrophobicContact CE1-CD2 4.33Å; F293-L297 HydrophobicContact CE1-CG 4.02Å; F293-L297 HydrophobicContact CZ-CD1 4.25Å; F293-L297 HydrophobicContact CZ-CD2 4.16Å; F293-L297 HydrophobicContact CZ-CG 4.3Å; F293-L297 WeakPolarHBondContact O-CG 3.37Å; F293-L297 PolarHBondContact O-N 2.86Å |
| 294 | V | 96 | Very high | 91.9 | Very high | 80 Ų | 80 | 43.3 Ų | 43.3 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 174.4 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | V290 G291 L297 V298 | V290-V294 WeakPolarHBondContact O-CG2 3.29Å; V290-V294 PolarHBondContact O-N 3.36Å; G291-V294 PolarHBondContact O-N 2.95Å; V294-L297 PolarHBondContact O-N 3.18Å; V294-V298 WeakPolarHBondContact O-CG2 3.22Å; V294-V298 PolarHBondContact O-N 3.2Å |
| 295 | D | 95.3 | Very high | 91.3 | Very high | 44 Ų | 44 | 40 Ų | 40 | 24% | 0.235 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.9 | -37.1 | 177 | -165.6 | 11.9 | 0 | 0 | 0 | 111.9 | F248 R252 G291 A292 V298 G299 | F248-D295 HydrophobicContact CZ-CB 4.15Å; R252-D295 VanDerWaalsContact CD-OD2 3.25Å; R252-D295 WeakPolarHBondContact CD-OD2 3.49Å; R252-D295 VanDerWaalsContact CZ-CG 3.42Å; R252-D295 IonicContact CZ-OD1 3.88Å; R252-D295 IonicContact CZ-OD2 3.07Å; R252-D295 VanDerWaalsContact CZ-OD2 3.24Å; R252-D295 IonicContact NE-OD2 3.31Å; R252-D295 PolarHBondContact NE-OD2 3.09Å; R252-D295 IonicContact NH1-OD1 2.64Å; R252-D295 PolarHBondContact NH1-OD1 3.17Å; R252-D295 VanDerWaalsContact NH1-OD1 3.07Å; R252-D295 IonicContact NH1-OD2 3.52Å; R252-D295 PolarHBondContact NH1-OD2 3.14Å; R252-D295 IonicContact NH2-OD1 3.24Å; G291-D295 PolarHBondContact O-N 3.48Å; A292-D295 PolarHBondContact O-N 2.88Å; D295-V298 PolarHBondContact O-N 3.49Å; D295-G299 PolarHBondContact O-N 3.36Å |
| 296 | L | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.1 | -50.8 | 167.2 | 169.8 | 76.9 | 0 | 0 | 0 | 111.8 | M255 H256 V259 M273 A292 F293 V298 G299 L300 | M255-L296 HydrophobicContact CB-CD2 3.93Å; M255-L296 HydrophobicContact SD-CD2 4.43Å; H256-L296 HydrophobicContact CB-CD1 4.31Å; V259-L296 HydrophobicContact CG2-CD1 4.24Å; V259-L296 HydrophobicContact CG2-CD2 4.14Å; M273-L296 HydrophobicContact CE-CD2 3.68Å; A292-L296 WeakPolarHBondContact O-CB 3.48Å; A292-L296 PolarHBondContact O-N 3Å; F293-L296 HydrophobicContact CD2-CD2 3.98Å; F293-L296 HydrophobicContact CE2-CD2 4.35Å; F293-L296 WeakPolarHBondContact O-CB 3.25Å; F293-L296 PolarHBondContact O-N 3.07Å; L296-V298 VanDerWaalsContact C-N 3.31Å; L296-V298 PolarHBondContact O-N 3.33Å; L296-G299 CarbonylContact O-C 3.55Å; L296-G299 WeakPolarHBondContact O-CA 3.42Å; L296-G299 PolarHBondContact O-N 3.38Å; L296-L300 HydrophobicContact CD1-CD1 4.3Å; L296-L300 HydrophobicContact CD1-CG 4.36Å; L296-L300 HydrophobicContact CG-CD1 4.14Å; L296-L300 HydrophobicContact CG-CG 4.5Å; L296-L300 WeakPolarHBondContact O-CG 3.3Å; L296-L300 PolarHBondContact O-N 2.94Å |
| 297 | L | 94.2 | Very high | 89.3 | Confident | 24 Ų | 24 | 44.2 Ų | 44.2 | 13% | 0.126 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 179.1 | -68.9 | 179.7 | 0 | 0 | 0 | 112 | W34 W267 L270 F293 V294 G299 L300 A301 | W34-L297 HydrophobicContact CH2-CB 4.33Å; W34-L297 HydrophobicContact CH2-CD2 4.15Å; W34-L297 HydrophobicContact CZ2-CD2 4.43Å; W267-L297 HydrophobicContact CH2-CD1 4.38Å; W267-L297 HydrophobicContact CZ3-CD1 3.92Å; W267-L297 HydrophobicContact CZ3-CD2 4.21Å; L270-L297 HydrophobicContact CD1-CD2 4.11Å; F293-L297 HydrophobicContact CD1-CD1 4Å; F293-L297 HydrophobicContact CD1-CG 4.29Å; F293-L297 HydrophobicContact CE1-CD1 3.6Å; F293-L297 HydrophobicContact CE1-CD2 4.33Å; F293-L297 HydrophobicContact CE1-CG 4.02Å; F293-L297 HydrophobicContact CZ-CD1 4.25Å; F293-L297 HydrophobicContact CZ-CD2 4.16Å; F293-L297 HydrophobicContact CZ-CG 4.3Å; F293-L297 WeakPolarHBondContact O-CG 3.37Å; F293-L297 PolarHBondContact O-N 2.86Å; V294-L297 PolarHBondContact O-N 3.18Å; L297-G299 VanDerWaalsContact C-N 3.35Å; L297-L300 PolarHBondContact O-N 2.87Å; L297-A301 WeakPolarHBondContact O-CB 3.39Å; L297-A301 PolarHBondContact O-N 2.95Å |
| 298 | V | 93.5 | Very high | 87.7 | Confident | 83 Ų | 83 | 47.2 Ų | 47.2 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 173.1 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | V294 D295 L296 A301 T302 | V294-V298 WeakPolarHBondContact O-CG2 3.22Å; V294-V298 PolarHBondContact O-N 3.2Å; D295-V298 PolarHBondContact O-N 3.49Å; L296-V298 VanDerWaalsContact C-N 3.31Å; L296-V298 PolarHBondContact O-N 3.33Å; V298-A301 PolarHBondContact O-N 3Å; V298-T302 WeakPolarHBondContact O-CB 3.32Å; V298-T302 WeakPolarHBondContact O-CG2 3.48Å; V298-T302 PolarHBondContact O-N 3.47Å; V298-T302 PolarHBondContact O-OG1 2.92Å |
| 299 | G | 92 | Very high | 86.2 | Confident | 13 Ų | 13 | 49.4 Ų | 49.4 | 13% | 0.134 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D295 L296 L297 T302 S303 | D295-G299 PolarHBondContact O-N 3.36Å; L296-G299 CarbonylContact O-C 3.55Å; L296-G299 WeakPolarHBondContact O-CA 3.42Å; L296-G299 PolarHBondContact O-N 3.38Å; L297-G299 VanDerWaalsContact C-N 3.35Å; G299-T302 WeakPolarHBondContact CA-OG1 3.14Å; G299-T302 PolarHBondContact O-OG1 2.8Å; G299-T302 VanDerWaalsContact O-OG1 3.05Å; G299-S303 VanDerWaalsContact O-CB 3.25Å; G299-S303 WeakPolarHBondContact O-CB 3.4Å; G299-S303 PolarHBondContact O-N 2.91Å |
| 300 | L | 90.7 | Very high | 84.5 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 19% | 0.188 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.7 | -42.2 | 177.4 | -66.2 | 174.4 | 0 | 0 | 0 | 112 | V259 L270 L296 L297 S304 | V259-L300 HydrophobicContact CG1-CD1 4.38Å; V259-L300 HydrophobicContact CG1-CD2 4Å; L270-L300 HydrophobicContact CD1-CD1 4.29Å; L270-L300 HydrophobicContact CD2-CD1 4.28Å; L296-L300 HydrophobicContact CD1-CD1 4.3Å; L296-L300 HydrophobicContact CD1-CG 4.36Å; L296-L300 HydrophobicContact CG-CD1 4.14Å; L296-L300 HydrophobicContact CG-CG 4.5Å; L296-L300 WeakPolarHBondContact O-CG 3.3Å; L296-L300 PolarHBondContact O-N 2.94Å; L297-L300 PolarHBondContact O-N 2.87Å; L300-S304 WeakPolarHBondContact O-CB 3.38Å; L300-S304 PolarHBondContact O-N 3.2Å |
| 301 | A | 89.1 | Confident | 82.5 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 21% | 0.207 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | W34 L297 V298 S304 A305 | W34-A301 HydrophobicContact CD2-CB 4.15Å; W34-A301 HydrophobicContact CE3-CB 4.11Å; L297-A301 WeakPolarHBondContact O-CB 3.39Å; L297-A301 PolarHBondContact O-N 2.95Å; V298-A301 PolarHBondContact O-N 3Å; A301-S304 PolarHBondContact O-N 2.94Å; A301-A305 PolarHBondContact O-N 2.79Å; A301-A305 VanDerWaalsContact O-N 3.17Å |
| 302 | T | 89.6 | Confident | 80.4 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.4 | -39.2 | 178.1 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | V298 G299 S304 A305 A306 | V298-T302 WeakPolarHBondContact O-CB 3.32Å; V298-T302 WeakPolarHBondContact O-CG2 3.48Å; V298-T302 PolarHBondContact O-N 3.47Å; V298-T302 PolarHBondContact O-OG1 2.92Å; G299-T302 WeakPolarHBondContact CA-OG1 3.14Å; G299-T302 PolarHBondContact O-OG1 2.8Å; G299-T302 VanDerWaalsContact O-OG1 3.05Å; T302-S304 VanDerWaalsContact C-N 3.33Å; T302-S304 PolarHBondContact O-N 3.27Å; T302-A305 PolarHBondContact O-N 3.46Å; T302-A306 PolarHBondContact O-N 3.12Å |
| 303 | S | 84.4 | Confident | 78.4 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 48% | 0.476 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 173.2 | -178.6 | 0 | 0 | 0 | 0 | 112.5 | G299 S307 | G299-S303 VanDerWaalsContact O-CB 3.25Å; G299-S303 WeakPolarHBondContact O-CB 3.4Å; G299-S303 PolarHBondContact O-N 2.91Å; S303-S307 PolarHBondContact O-N 3.26Å; S303-S307 PolarHBondContact O-OG 2.93Å |
| 304 | S | 79.4 | Confident | 76.2 | Confident | 40 Ų | 40 | 70.9 Ų | 70.9 | 28% | 0.28 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 172.9 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | L300 A301 T302 S307 H308 | L300-S304 WeakPolarHBondContact O-CB 3.38Å; L300-S304 PolarHBondContact O-N 3.2Å; A301-S304 PolarHBondContact O-N 2.94Å; T302-S304 VanDerWaalsContact C-N 3.33Å; T302-S304 PolarHBondContact O-N 3.27Å; S304-S307 PolarHBondContact O-N 2.82Å; S304-H308 PolarHBondContact O-ND1 3.45Å |
| 305 | A | 74.3 | Confident | 74 | Confident | 51 Ų | 51 | 73.7 Ų | 73.7 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | A301 T302 S307 H308 S309 | A301-A305 PolarHBondContact O-N 2.79Å; A301-A305 VanDerWaalsContact O-N 3.17Å; T302-A305 PolarHBondContact O-N 3.46Å; A305-S307 VanDerWaalsContact C-N 3.26Å; A305-S307 PolarHBondContact O-N 3.29Å; A305-H308 PolarHBondContact O-N 3.34Å; A305-H308 VanDerWaalsContact O-N 3.1Å; A305-S309 PolarHBondContact O-N 2.66Å |
| 306 | A | 71.2 | Confident | 72.2 | Confident | 66 Ų | 66 | 78.1 Ų | 78.1 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.1 | -37.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T302 H308 S309 | T302-A306 PolarHBondContact O-N 3.12Å; A306-H308 PolarHBondContact O-N 3.4Å; A306-S309 PolarHBondContact O-N 3.06Å |
| 307 | S | 66.8 | Low | 70.3 | Confident | 79 Ų | 79 | 83.7 Ų | 83.7 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64 | -24 | 178.6 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | S303 S304 A305 | S303-S307 PolarHBondContact O-N 3.26Å; S303-S307 PolarHBondContact O-OG 2.93Å; S304-S307 PolarHBondContact O-N 2.82Å; A305-S307 VanDerWaalsContact C-N 3.26Å; A305-S307 PolarHBondContact O-N 3.29Å |
| 308 | H | 59.5 | Low | 68.2 | Low | 143 Ų | 143 | 88.3 Ų | 88.3 | 66% | 0.662 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -91.2 | -20.9 | 179.7 | -71.3 | 86.5 | 0 | 0 | 0 | 113.8 | S304 A305 A306 | S304-H308 PolarHBondContact O-ND1 3.45Å; A305-H308 PolarHBondContact O-N 3.34Å; A305-H308 VanDerWaalsContact O-N 3.1Å; A306-H308 PolarHBondContact O-N 3.4Å |
| 309 | S | 61.7 | Low | 66.2 | Low | 103 Ų | 103 | 91.3 Ų | 91.3 | 72% | 0.72 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -84.9 | -15.4 | 178.8 | -66.7 | 0 | 0 | 0 | 0 | 114.2 | A305 A306 T311 | A305-S309 PolarHBondContact O-N 2.66Å; A306-S309 PolarHBondContact O-N 3.06Å; S309-T311 VanDerWaalsContact C-N 3.34Å; S309-T311 PolarHBondContact O-N 3.2Å |
| 310 | A | 58.8 | Low | 64 | Low | 80 Ų | 80 | 97.1 Ų | 97.1 | 66% | 0.661 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -12.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 311 | T | 54.9 | Low | 62 | Low | 118 Ų | 118 | 102.5 Ų | 102.5 | 72% | 0.724 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 0.4 | -167.7 | -41.6 | 0 | 0 | 0 | 0 | 114.3 | S309 | S309-T311 VanDerWaalsContact C-N 3.34Å; S309-T311 PolarHBondContact O-N 3.2Å |
| 312 | T | 51.2 | Low | 59.7 | Low | 134 Ų | 134 | 105.9 Ų | 105.9 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -118 | 43.3 | -176.1 | -41.5 | 0 | 0 | 0 | 0 | 112.6 | ||
| 313 | A | 54.2 | Low | 57.3 | Low | 81 Ų | 81 | 107.3 Ų | 107.3 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | trans | -137.4 | 141.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 314 | T | 49 | Very low | 54.8 | Low | 136 Ų | 136 | 109.9 Ų | 109.9 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | 84.4 | 60.1 | 174.1 | -29.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 315 | T | 50.8 | Low | 52.7 | Low | 138 Ų | 138 | 113.5 Ų | 113.5 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | trans | -128.7 | 77.8 | 150 | -51.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 316 | T | 56.2 | Low | 50.8 | Low | 137 Ų | 137 | 117 Ų | 117 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | trans | -129.9 | 98.7 | 172.3 | -44.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 317 | T | 54.4 | Low | 49.4 | Very low | 118 Ų | 118 | 118.6 Ų | 118.6 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -25 | 116.4 | 168.2 | -42.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 318 | T | 50 | Low | 48.2 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 35.3 | 110.1 | 148 | 60.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 319 | T | 51.8 | Low | 47 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | -150.9 | 150.4 | 121.1 | 1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 320 | T | 46.2 | Very low | 46 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -90.2 | 119.2 | -169.1 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 321 | T | 49.6 | Very low | 44.8 | Very low | 150 Ų | 150 | 126.5 Ų | 126.5 | 92% | 0.92 | 81% | 0.806 | S | S | * | * | trans | -148.9 | 143.8 | 150.5 | 34.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 322 | A | 40.7 | Very low | 44.1 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -107.2 | 131.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 323 | C | 37.5 | Very low | 43.5 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -153 | 122 | 152.2 | 51.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 324 | C | 33.6 | Very low | 42.9 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | cis | 77.8 | 68.2 | 45.3 | -56.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 325 | C | 35.1 | Very low | 42.6 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | trans | -155.6 | 96.7 | 152.9 | 39.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 326 | S | 34.7 | Very low | 42.4 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -99.6 | 117.6 | 158 | -55.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 327 | S | 41.2 | Very low | 41.8 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | trans | -166.7 | 95.3 | 171.3 | 46.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 328 | T | 41.3 | Very low | 41.3 | Very low | 125 Ų | 125 | 123 Ų | 123 | 77% | 0.767 | 83% | 0.83 | S | S | * | * | 62.9 | 120.7 | 70.6 | -45.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 329 | F | 35.1 | Very low | 41 | Very low | 203 Ų | 203 | 121.3 Ų | 121.3 | 89% | 0.89 | 84% | 0.837 | S | S | * | * | trans | -40.8 | 136.5 | 176.1 | -68.3 | -104.6 | 0 | 0 | 0 | 113.5 | ||||
| 330 | S | 39 | Very low | 40.6 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -138.9 | 120.1 | 160.2 | -71.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 331 | S | 35.5 | Very low | 40.7 | Very low | 121 Ų | 121 | 117.5 Ų | 117.5 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -78 | 143.7 | 177.5 | -48 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 332 | S | 40.1 | Very low | 40.6 | Very low | 111 Ų | 111 | 115.7 Ų | 115.7 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -148.7 | 95.6 | 163 | 49.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 333 | S | 37.8 | Very low | 40.9 | Very low | 118 Ų | 118 | 116.8 Ų | 116.8 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -82.7 | 130.8 | 166.6 | 34.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 334 | T | 41.4 | Very low | 41.2 | Very low | 138 Ų | 138 | 117.4 Ų | 117.4 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -133.5 | 105.1 | 173.1 | 44.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 335 | S | 42.6 | Very low | 41.6 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -98.2 | 133.2 | 163.6 | 50.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 336 | S | 47.7 | Very low | 41.8 | Very low | 128 Ų | 128 | 115 Ų | 115 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -142.1 | 144.3 | 164.3 | 60.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 337 | G | 42.7 | Very low | 42.1 | Very low | 81 Ų | 81 | 116.5 Ų | 116.5 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -145.6 | -168.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 338 | G | 44.1 | Very low | 42 | Very low | 86 Ų | 86 | 116.9 Ų | 116.9 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | 124.4 | 144.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 339 | G | 43.7 | Very low | 42 | Very low | 85 Ų | 85 | 115.9 Ų | 115.9 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | cis | -173.2 | 171 | -5.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 340 | G | 43.6 | Very low | 42.3 | Very low | 63 Ų | 63 | 111.1 Ų | 111.1 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | cis | 175 | -175.3 | -0.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 341 | T | 48.1 | Very low | 42.7 | Very low | 137 Ų | 137 | 112.8 Ų | 112.8 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | 64.2 | 141.8 | 170.6 | 30.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 342 | T | 47.7 | Very low | 43.5 | Very low | 112 Ų | 112 | 115.5 Ų | 115.5 | 69% | 0.687 | 82% | 0.816 | S | S | * | * | cis | -151.5 | 133.8 | 17.9 | -10.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 343 | T | 45.9 | Very low | 43.7 | Very low | 120 Ų | 120 | 117.7 Ų | 117.7 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | 36.5 | 136 | 139.7 | 58.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 344 | T | 44.1 | Very low | 43.9 | Very low | 127 Ų | 127 | 119 Ų | 119 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | cis | -160 | 146.4 | 44.1 | 46.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 345 | A | 41.5 | Very low | 44.1 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | 58.4 | 146.1 | 149.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 346 | A | 40.7 | Very low | 43.8 | Very low | 86 Ų | 86 | 119.2 Ų | 119.2 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | cis | -170.9 | 138.1 | -20.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 347 | V | 41.4 | Very low | 43.5 | Very low | 157 Ų | 157 | 116.1 Ų | 116.1 | 95% | 0.952 | 79% | 0.789 | S | S | * | * | trans | 171.3 | 141.9 | 134.3 | -85.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 348 | A | 37.8 | Very low | 43.5 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | -76.1 | 149.4 | -160.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 349 | A | 40.7 | Very low | 43.5 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 87% | 0.868 | 78% | 0.778 | S | S | * | * | trans | -152.9 | 142.3 | 131.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 350 | S | 42.7 | Very low | 43.4 | Very low | 102 Ų | 102 | 121.4 Ų | 121.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -85.7 | 171 | -176 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 351 | M | 47.6 | Very low | 43 | Very low | 157 Ų | 157 | 121.9 Ų | 121.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -160.4 | 153.2 | 39.2 | -63 | 174.8 | 176.2 | 0 | 0 | 112.9 | ||||
| 352 | M | 52.6 | Low | 42.7 | Very low | 178 Ų | 178 | 120.2 Ų | 120.2 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | 45.3 | 133.2 | 145 | -60.9 | 163.9 | -179.1 | 0 | 0 | 119.5 | ||||
| 353 | D | 43 | Very low | 42.2 | Very low | 156 Ų | 156 | 121 Ų | 121 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | -152.7 | -157.2 | 55.1 | -159.9 | -105.1 | 0 | 0 | 0 | 114 | |||||
| 354 | E | 43.3 | Very low | 41.7 | Very low | 145 Ų | 145 | 121.2 Ų | 121.2 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | -107.6 | -173.4 | -140 | -125.1 | -154.9 | 69.1 | 0 | 0 | 119.4 | ||||
| 355 | Q | 43.8 | Very low | 41.3 | Very low | 155 Ų | 155 | 120.8 Ų | 120.8 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | trans | -40.8 | 172.8 | -179.9 | -87.1 | 67.7 | 123.2 | 0 | 0 | 118.4 | ||||
| 356 | C | 37.8 | Very low | 41.1 | Very low | 115 Ų | 115 | 121 Ų | 121 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | cis | 173.2 | 155 | -26 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 357 | G | 40.3 | Very low | 40.9 | Very low | 64 Ų | 64 | 123.5 Ų | 123.5 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | trans | 128.1 | 89.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 358 | I | 43.5 | Very low | 40.9 | Very low | 150 Ų | 150 | 121.2 Ų | 121.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | 105.1 | 111.4 | 62.9 | -76.4 | 165.8 | 0 | 0 | 0 | 112.7 | |||||
| 359 | S | 44.6 | Very low | 41 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | 63.2 | 115.4 | 147.9 | 74.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 360 | A | 40.2 | Very low | 41.1 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | 74.7 | 137.1 | 115.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 361 | G | 36.3 | Very low | 41.4 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | 138.5 | 75.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 362 | A | 41 | Very low | 41.4 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | 83.5 | 114.6 | 93.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 363 | S | 37.1 | Very low | 41 | Very low | 127 Ų | 127 | 128 Ų | 128 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -75.2 | 140.1 | 179.2 | -48.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 364 | C | 34.9 | Very low | 41.2 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -147.4 | 127.8 | 154.1 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 365 | S | 36.6 | Very low | 41.3 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -115.2 | 113.5 | 172.3 | -55.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 366 | S | 36.3 | Very low | 41.4 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -163 | 109.5 | 170.4 | -75.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 367 | V | 37.4 | Very low | 42 | Very low | 139 Ų | 139 | 122.5 Ų | 122.5 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | 54.6 | 116.4 | 93.5 | -53.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 368 | S | 40.5 | Very low | 42.4 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -177.9 | 126.1 | 149.2 | -98.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 369 | S | 40.5 | Very low | 42.5 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 66% | 0.657 | 81% | 0.813 | S | S | * | * | 78.6 | 147.9 | 97.3 | -48 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 370 | D | 42.4 | Very low | 42.2 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | cis | -140.4 | 142.2 | 29.3 | -69 | -77.8 | 0 | 0 | 0 | 110.2 | ||||
| 371 | L | 49.4 | Very low | 42.8 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | 38.1 | 120.7 | 98 | -58.8 | 179.8 | 0 | 0 | 0 | 115.6 | |||||
| 372 | E | 47.6 | Very low | 43.6 | Very low | 203 Ų | 203 | 131.7 Ų | 131.7 | 95% | 0.949 | 81% | 0.807 | S | S | * | * | -156.2 | 139.2 | 113.3 | -72.2 | -144.8 | 108.3 | 0 | 0 | 109.5 | |||||
| 373 | E | 44.9 | Very low | 44.5 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -121 | 128.6 | 172.3 | 170 | 170.9 | 83.8 | 0 | 0 | 107.1 | ||||
| 374 | E | 47.1 | Very low | 45.1 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 81% | 0.808 | 81% | 0.812 | S | S | * | * | trans | -147.6 | 141.8 | 175.4 | -133.7 | -64.2 | 90.1 | 0 | 0 | 110.7 | ||||
| 375 | A | 45 | Very low | 46.1 | Very low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | trans | -115.1 | 100.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 112 | A377 | A375-A377 PolarHBondContact O-N 3.49Š| ||
| 376 | A | 46.5 | Very low | 46.7 | Very low | 104 Ų | 104 | 138 Ų | 138 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -83.1 | 97.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 377 | A | 50 | Low | 46.9 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -71.4 | 129.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A375 | A375-A377 PolarHBondContact O-N 3.49Š| ||
| 378 | G | 47.7 | Very low | 47.4 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -92.1 | 102 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R380 | G378-R380 PolarHBondContact O-N 3.14Š| ||
| 379 | E | 45.7 | Very low | 47.8 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -78.1 | 117.7 | 168.2 | -84.8 | -159.9 | 79.7 | 0 | 0 | 112.8 | ||||
| 380 | R | 39.1 | Very low | 48.2 | Very low | 229 Ų | 229 | 136.8 Ų | 136.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | 35.8 | 116.5 | 124.9 | -158.4 | 179.7 | -159.7 | -154.9 | 4.2 | 118.8 | G378 | G378-R380 PolarHBondContact O-N 3.14Š| |||
| 381 | S | 51.9 | Low | 48.2 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -146.9 | 126.8 | 139.2 | -164.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 382 | S | 53.7 | Low | 48.1 | Very low | 92 Ų | 92 | 134 Ų | 134 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | trans | 35.7 | 116.9 | 144.3 | -44.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 383 | N | 59 | Low | 48.3 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -143.5 | 134.9 | 131.9 | -89.8 | -42.6 | 0 | 0 | 0 | 109.3 | ||||
| 384 | N | 50.8 | Low | 48.5 | Very low | 174 Ų | 174 | 129.6 Ų | 129.6 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | trans | -75.8 | 137.3 | -171.3 | -71.5 | -33.6 | 0 | 0 | 0 | 112.4 | ||||
| 385 | G | 54.9 | Low | 48.9 | Very low | 79 Ų | 79 | 132 Ų | 132 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -160.2 | 98 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 386 | H | 50.4 | Low | 49.6 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -69 | 136.8 | -166.6 | -148.4 | 70.9 | 0 | 0 | 0 | 114 | ||||
| 387 | C | 41.1 | Very low | 49.6 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | trans | 51.4 | 148.6 | 140.7 | -63.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 388 | T | 47 | Very low | 49.7 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | cis | -175.3 | 146.5 | -4.6 | 22.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 389 | S | 49.9 | Very low | 49.8 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | 62.2 | 145.7 | 151.2 | 164.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 390 | C | 47.1 | Very low | 50 | Low | 100 Ų | 100 | 138.1 Ų | 138.1 | 68% | 0.676 | 81% | 0.808 | S | S | * | * | cis | -165 | 165.7 | -17.9 | -101.9 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 391 | D | 42.8 | Very low | 50.6 | Low | 153 Ų | 153 | 133 Ų | 133 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 60.2 | 124.7 | 156.3 | -67.7 | -60.2 | 0 | 0 | 0 | 121.4 | ||||
| 392 | A | 46.9 | Very low | 50.5 | Low | 88 Ų | 88 | 134.5 Ų | 134.5 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -1.1 | 139 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 393 | L | 53.3 | Low | 50.4 | Low | 172 Ų | 172 | 137.1 Ų | 137.1 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | -155 | 150 | 105.5 | -103.6 | 173.3 | 0 | 0 | 0 | 112.3 | |||||
| 394 | D | 47.7 | Very low | 49.8 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | trans | -61.7 | 143.5 | 172.5 | -172.2 | -93.3 | 0 | 0 | 0 | 111.8 | ||||
| 395 | Y | 55.8 | Low | 49.7 | Very low | 222 Ų | 222 | 132.1 Ų | 132.1 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -151 | 94 | 156.9 | -137 | -90 | 0 | 0 | 0 | 113.8 | ||||
| 396 | S | 59.5 | Low | 49.3 | Very low | 89 Ų | 89 | 136.2 Ų | 136.2 | 62% | 0.622 | 80% | 0.803 | S | S | * | * | trans | 9.3 | 141.7 | 143.9 | -169.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 397 | C | 46.1 | Very low | 49.2 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | -52.1 | 160.3 | 160.2 | -61.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 398 | S | 53.3 | Low | 49.9 | Very low | 196 Ų | 196 | 136.5 Ų | 136.5 | 100% | 1.371 | 82% | 0.818 | S | S | * | * | trans | -129.6 | 0 | 141 | -67.3 | 0 | 0 | 0 | 0 | 109 |
Retrieved 398 of 398 residues in 69.6 ms
(Link to these results)