| 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 | 38.4 | Very low | 35.8 | Very low | 253 Ų | 253 | 163 Ų | 163 | 100% | 1.246 | 84% | 0.84 | S | S | * | * | 0 | 140.5 | 0 | -131.4 | 158.5 | 167.8 | 0 | 0 | 107.7 | |||||
| 2 | K | 34.7 | Very low | 35.6 | Very low | 206 Ų | 206 | 167.6 Ų | 167.6 | 90% | 0.896 | 84% | 0.839 | S | S | * | * | trans | -60.1 | 160.8 | -165.1 | -77.1 | 165.7 | 169.7 | 175.1 | 0 | 115 | ||||
| 3 | S | 38 | Very low | 35.5 | Very low | 99 Ų | 99 | 165.2 Ų | 165.2 | 69% | 0.692 | 84% | 0.838 | S | S | * | * | trans | -47.9 | 175.3 | 171.8 | 60.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 4 | P | 44.5 | Very low | 35.1 | Very low | 129 Ų | 129 | 162.9 Ų | 162.9 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | -143.1 | 146.7 | 93.4 | 33.5 | -15.9 | 0 | 0 | 0 | 115.8 | |||||
| 5 | T | 39.2 | Very low | 35.1 | Very low | 130 Ų | 130 | 159.9 Ų | 159.9 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | -82 | 147.7 | 158.4 | 26.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 6 | R | 33.4 | Very low | 34.9 | Very low | 218 Ų | 218 | 160.1 Ų | 160.1 | 82% | 0.823 | 82% | 0.824 | S | S | * | * | trans | 179.1 | 146.1 | 154.3 | -106 | -171.8 | 174.1 | 158.9 | 3.9 | 107.3 | ||||
| 7 | E | 32.9 | Very low | 34.7 | Very low | 155 Ų | 155 | 154.3 Ų | 154.3 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | cis | -168.5 | 151 | -6.3 | -137.9 | 161.5 | -149.7 | 0 | 0 | 104.7 | ||||
| 8 | F | 34.6 | Very low | 34.6 | Very low | 202 Ų | 202 | 156.9 Ų | 156.9 | 89% | 0.886 | 82% | 0.82 | S | S | * | * | trans | -70.4 | 139.3 | 175.2 | -100.6 | -105.3 | 0 | 0 | 0 | 111.5 | ||||
| 9 | V | 34.8 | Very low | 34.6 | Very low | 129 Ų | 129 | 154.3 Ų | 154.3 | 78% | 0.782 | 82% | 0.816 | S | S | * | * | trans | -135.1 | 116.8 | 152.9 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 10 | N | 30.3 | Very low | 35 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -88.7 | 127.6 | 171.9 | -170.4 | 18 | 0 | 0 | 0 | 108 | ||||
| 11 | T | 33.1 | Very low | 35 | Very low | 130 Ų | 130 | 151 Ų | 151 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | trans | -137.8 | 112 | 163.2 | 23 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 12 | R | 32.7 | Very low | 34.8 | Very low | 218 Ų | 218 | 144 Ų | 144 | 82% | 0.823 | 79% | 0.786 | S | S | * | * | trans | -103.6 | 125.1 | 171.9 | -152.3 | -171.5 | -139.9 | 163.2 | 3.7 | 106.2 | ||||
| 13 | V | 34.9 | Very low | 34.7 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -138.3 | 106.1 | 160.5 | -179 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 14 | D | 30.5 | Very low | 34.7 | Very low | 133 Ų | 133 | 149 Ų | 149 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -72.3 | 141 | 162.3 | -76.4 | -62.6 | 0 | 0 | 0 | 109.9 | ||||
| 15 | V | 33.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | -159.1 | 117.8 | 140.8 | -178.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 16 | N | 32.1 | Very low | 34.7 | Very low | 163 Ų | 163 | 153.1 Ų | 153.1 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | trans | 53.5 | 138.7 | 148.7 | -54.9 | -18 | 0 | 0 | 0 | 120.3 | ||||
| 17 | G | 31.6 | Very low | 35.4 | Very low | 62 Ų | 62 | 152.1 Ų | 152.1 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | cis | 159.9 | 164.7 | 10.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 18 | H | 33.4 | Very low | 35.9 | Very low | 201 Ų | 201 | 152.9 Ų | 152.9 | 93% | 0.931 | 79% | 0.79 | S | S | * | * | trans | 90.5 | 106.1 | 177.4 | -65.4 | 72.8 | 0 | 0 | 0 | 117.7 | ||||
| 19 | S | 35.1 | Very low | 36.5 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -88.7 | 152 | 149.4 | 50.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 20 | P | 41.8 | Very low | 37.2 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | -149.8 | 162.4 | 80.6 | 36 | -15 | 0 | 0 | 0 | 116.8 | |||||
| 21 | T | 34.3 | Very low | 38.2 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | 72.8 | 122.4 | 146.8 | 51.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 22 | S | 34.2 | Very low | 38.9 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 70.2 | 103.1 | 132.5 | -163.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 23 | M | 33.2 | Very low | 39.6 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 85% | 0.847 | 77% | 0.765 | S | S | * | * | 166.9 | 110.6 | 104.7 | -158.4 | 170.8 | -77.7 | 0 | 0 | 108.3 | |||||
| 24 | R | 39.2 | Very low | 40.3 | Very low | 240 Ų | 240 | 138.8 Ų | 138.8 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | trans | -82.2 | 128.5 | 171.2 | -80.4 | -177.9 | 176.2 | -179.2 | -1.1 | 109 | ||||
| 25 | P | 39.3 | Very low | 41.3 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | trans | -76.8 | 127 | 166.2 | 29.8 | -27.6 | 0 | 0 | 0 | 109.2 | Y27 | P25-Y27 HydrophobicContact CG-CE2 4.39Å; P25-Y27 PolarHBondContact O-N 3.33Å | ||
| 26 | R | 44.5 | Very low | 42 | Very low | 242 Ų | 242 | 138.1 Ų | 138.1 | 91% | 0.913 | 76% | 0.757 | S | S | * | * | trans | -72.6 | 107.5 | 176.3 | -66.5 | 173.8 | 177.4 | 166.2 | -1.9 | 108.8 | ||||
| 27 | Y | 47 | Very low | 42.8 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -86.2 | 146.1 | 156.1 | -69.6 | -84.9 | 0 | 0 | 0 | 108.1 | P25 | P25-Y27 HydrophobicContact CG-CE2 4.39Å; P25-Y27 PolarHBondContact O-N 3.33Å | ||
| 28 | F | 44.2 | Very low | 43.7 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 75% | 0.746 | 76% | 0.76 | S | S | * | * | trans | 96.4 | 123.1 | -170.6 | -70.3 | -87.6 | 0 | 0 | 0 | 114.5 | A31 | F28-A31 HydrophobicContact CD1-CB 4.02Å; F28-A31 HydrophobicContact CE1-CB 3.78Å | ||
| 29 | P | 46.1 | Very low | 44.4 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | cis | -133.8 | 110.4 | 42.6 | 35.1 | -15.6 | 0 | 0 | 0 | 114.3 | ||||
| 30 | L | 49 | Very low | 44.7 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -103.9 | 5.7 | 157.8 | -114.9 | 141.1 | 0 | 0 | 0 | 111.8 | ||
| 31 | A | 51.5 | Low | 44.8 | Very low | 63 Ų | 63 | 144.3 Ų | 144.3 | 52% | 0.521 | 76% | 0.764 | S | S | . | * | S | Bend | trans | -101.4 | 16.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F28 | F28-A31 HydrophobicContact CD1-CB 4.02Å; F28-A31 HydrophobicContact CE1-CB 3.78Å |
| 32 | L | 49.5 | Very low | 45.1 | Very low | 128 Ų | 128 | 143.8 Ų | 143.8 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -113.1 | 1 | 178.3 | -113.4 | 141.8 | 0 | 0 | 0 | 114 | ||
| 33 | C | 45.7 | Very low | 45.6 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -103 | -5.2 | 171.4 | -73.6 | 0 | 0 | 0 | 0 | 114 | ||
| 34 | A | 50.2 | Low | 45.8 | Very low | 83 Ų | 83 | 146.4 Ų | 146.4 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -90.5 | -6.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 35 | S | 50.5 | Low | 45.6 | Very low | 86 Ų | 86 | 142.6 Ų | 142.6 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -101.4 | 8.2 | -175.6 | 39.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 36 | L | 48.5 | Very low | 45.6 | Very low | 150 Ų | 150 | 149 Ų | 149 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -113.2 | 1.3 | 178.6 | -92.7 | 155.2 | 0 | 0 | 0 | 115.1 | ||
| 37 | L | 50.7 | Low | 45 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -105.7 | 6.6 | 176.2 | -74.1 | 167.6 | 0 | 0 | 0 | 114.1 | ||
| 38 | C | 49.3 | Very low | 44.5 | Very low | 119 Ų | 119 | 138 Ų | 138 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 30.1 | 178.2 | -90.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 39 | L | 48.4 | Very low | 44 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | 13 | 171.4 | -80.3 | 169.7 | 0 | 0 | 0 | 114.3 | R41 | L39-R41 PolarHBondContact O-N 3.01Å; L39-R41 VanDerWaalsContact O-N 3.16Å |
| 40 | C | 41.9 | Very low | 43.5 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | trans | -84.1 | 86.5 | 162.7 | -64.5 | 0 | 0 | 0 | 0 | 108.2 | S42 | C40-S42 PolarHBondContact O-N 2.8Å; C40-S42 VanDerWaalsContact O-N 3.08Å | ||
| 41 | R | 42.5 | Very low | 42.9 | Very low | 228 Ų | 228 | 137.1 Ų | 137.1 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -53.8 | 114.4 | 157.1 | -86.4 | -178.2 | 170.7 | -171.6 | -3.1 | 106.5 | L39 Y43 | L39-R41 PolarHBondContact O-N 3.01Å; L39-R41 VanDerWaalsContact O-N 3.16Å; R41-Y43 VanDerWaalsContact C-N 3.34Å; R41-Y43 WeakPolarHBondContact O-CD1 3.22Å; R41-Y43 PolarHBondContact O-N 3.3Å | ||
| 42 | S | 41.2 | Very low | 41.9 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -59.2 | 98.4 | 168.9 | -46.2 | 0 | 0 | 0 | 0 | 108 | C40 | C40-S42 PolarHBondContact O-N 2.8Å; C40-S42 VanDerWaalsContact O-N 3.08Å | ||
| 43 | Y | 44.3 | Very low | 41.1 | Very low | 200 Ų | 200 | 139.5 Ų | 139.5 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | -84.7 | 109.8 | 166.3 | 46.8 | -89.8 | 0 | 0 | 0 | 106.9 | R41 L45 | R41-Y43 VanDerWaalsContact C-N 3.34Å; R41-Y43 WeakPolarHBondContact O-CD1 3.22Å; R41-Y43 PolarHBondContact O-N 3.3Å; Y43-L45 PolarHBondContact O-N 2.85Å | ||
| 44 | T | 39.3 | Very low | 40.4 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | -86.5 | 90.4 | 163.2 | 39.1 | 0 | 0 | 0 | 0 | 107.7 | R46 | T44-R46 VanDerWaalsContact C-N 3.35Å; T44-R46 PolarHBondContact O-N 3.27Å; T44-R46 VanDerWaalsContact O-N 3.09Å | ||
| 45 | L | 34.7 | Very low | 39.7 | Very low | 159 Ų | 159 | 140 Ų | 140 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -71.4 | 95.2 | 161.3 | -94.9 | 163.2 | 0 | 0 | 0 | 107.3 | Y43 S47 | Y43-L45 PolarHBondContact O-N 2.85Å; L45-S47 PolarHBondContact O-N 3.45Å | ||
| 46 | R | 38.2 | Very low | 39 | Very low | 238 Ų | 238 | 143.1 Ų | 143.1 | 90% | 0.898 | 78% | 0.778 | S | S | * | * | trans | -78.4 | 100.1 | 167.4 | -140.4 | -174.4 | -172.6 | -163 | 2.8 | 107.1 | T44 S48 | T44-R46 VanDerWaalsContact C-N 3.35Å; T44-R46 PolarHBondContact O-N 3.27Å; T44-R46 VanDerWaalsContact O-N 3.09Å; R46-S48 PolarHBondContact O-N 2.85Å | ||
| 47 | S | 32.5 | Very low | 38.2 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | -52.7 | 125 | 169.7 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | L45 V49 | L45-S47 PolarHBondContact O-N 3.45Å; S47-V49 PolarHBondContact O-N 3.01Å; S47-V49 VanDerWaalsContact O-N 3.15Å | ||
| 48 | S | 35.6 | Very low | 37.6 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -60.6 | 113.4 | 163 | -55.9 | 0 | 0 | 0 | 0 | 107.4 | R46 S50 | R46-S48 PolarHBondContact O-N 2.85Å; S48-S50 PolarHBondContact O-N 3.49Å; S48-S50 VanDerWaalsContact O-N 3.09Å | ||
| 49 | V | 34.7 | Very low | 36.7 | Very low | 103 Ų | 103 | 143.4 Ų | 143.4 | 62% | 0.624 | 78% | 0.778 | S | S | * | * | trans | -78.4 | 95 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 107.2 | S47 W51 | S47-V49 PolarHBondContact O-N 3.01Å; S47-V49 VanDerWaalsContact O-N 3.15Å; V49-W51 HydrophobicContact CG1-CD2 4.15Å; V49-W51 HydrophobicContact CG1-CG 4.37Å; V49-W51 HydrophobicContact CG1-CZ2 4.18Å; V49-W51 PolarHBondContact O-N 3.07Å | ||
| 50 | S | 35.2 | Very low | 36 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -79.1 | 108.9 | 161 | 53.4 | 0 | 0 | 0 | 0 | 107.4 | S48 V52 | S48-S50 PolarHBondContact O-N 3.49Å; S48-S50 VanDerWaalsContact O-N 3.09Å; S50-V52 PolarHBondContact O-N 2.92Å; S50-V52 VanDerWaalsContact O-N 3.07Å | ||
| 51 | W | 35.6 | Very low | 35.7 | Very low | 224 Ų | 224 | 144.5 Ų | 144.5 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -69.8 | 102.9 | 168.6 | -67 | 100.6 | 0 | 0 | 0 | 108.6 | V49 | V49-W51 HydrophobicContact CG1-CD2 4.15Å; V49-W51 HydrophobicContact CG1-CG 4.37Å; V49-W51 HydrophobicContact CG1-CZ2 4.18Å; V49-W51 PolarHBondContact O-N 3.07Å | ||
| 52 | V | 30.9 | Very low | 35.3 | Very low | 121 Ų | 121 | 141 Ų | 141 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | -82.9 | 104 | 154.7 | 169 | 0 | 0 | 0 | 0 | 105.4 | S50 S54 | S50-V52 PolarHBondContact O-N 2.92Å; S50-V52 VanDerWaalsContact O-N 3.07Å; V52-S54 PolarHBondContact O-N 2.86Å | ||
| 53 | V | 34 | Very low | 34.9 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -80.6 | 110.1 | 163.9 | 176.6 | 0 | 0 | 0 | 0 | 105.9 | S55 | V53-S55 PolarHBondContact O-N 3.14Š| ||
| 54 | S | 31.2 | Very low | 34.3 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | -65.8 | 115.5 | 166.3 | -68 | 0 | 0 | 0 | 0 | 108.4 | V52 N56 | V52-S54 PolarHBondContact O-N 2.86Å; S54-N56 PolarHBondContact O-N 3.49Å | ||
| 55 | S | 33.8 | Very low | 33.9 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -58.1 | 120.6 | 163.4 | -59.4 | 0 | 0 | 0 | 0 | 108.8 | V53 | V53-S55 PolarHBondContact O-N 3.14Š| ||
| 56 | N | 36.7 | Very low | 34 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -116.5 | 127.5 | 153.8 | -88.6 | -9.4 | 0 | 0 | 0 | 107.1 | S54 | S54-N56 PolarHBondContact O-N 3.49Š| ||
| 57 | D | 30.9 | Very low | 34 | Very low | 142 Ų | 142 | 133.6 Ų | 133.6 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | -53.1 | 133.7 | -178.7 | -57.3 | -72 | 0 | 0 | 0 | 113.2 | ||||
| 58 | V | 38.3 | Very low | 34.2 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | -139 | 121.8 | 140 | -170 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 59 | D | 31.1 | Very low | 34.1 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | -63.1 | 140.1 | -175.9 | -72.1 | -67.1 | 0 | 0 | 0 | 115.3 | ||||
| 60 | V | 34.6 | Very low | 34.3 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | 62.2 | 118.5 | 134.6 | -175.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 61 | E | 34.2 | Very low | 34.3 | Very low | 193 Ų | 193 | 139 Ų | 139 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | -157.2 | 135.9 | 115.1 | -102.9 | 178.7 | -177 | 0 | 0 | 111.2 | |||||
| 62 | D | 33.9 | Very low | 34.1 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -64.7 | 140.4 | -167.2 | -64.7 | -71.9 | 0 | 0 | 0 | 115.2 | ||||
| 63 | A | 32.8 | Very low | 34.2 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -142.6 | 95.6 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 64 | D | 32.1 | Very low | 34.1 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | -50.3 | 121 | 165.7 | 177.5 | 26.3 | 0 | 0 | 0 | 112.5 | ||||
| 65 | L | 32 | Very low | 34.2 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -151.5 | 91 | 152.7 | -76.3 | -174.7 | 0 | 0 | 0 | 109.4 | ||||
| 66 | S | 35.5 | Very low | 34 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | trans | -59.8 | 129.1 | 153.8 | 59.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 67 | E | 38.3 | Very low | 33.7 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -168.8 | 101 | 134.1 | -106 | 177.9 | -168.5 | 0 | 0 | 110.6 | ||||
| 68 | E | 37 | Very low | 33.7 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -70 | 116.9 | 160.6 | -81 | -108.7 | 154.3 | 0 | 0 | 109.6 | ||||
| 69 | V | 33.9 | Very low | 33.3 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 76% | 0.758 | 80% | 0.8 | S | S | * | * | trans | -141.4 | 97.9 | 154.7 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 70 | A | 37.3 | Very low | 33.4 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -76 | 133.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | A72 | A70-A72 PolarHBondContact O-N 3.09Š| ||
| 71 | P | 35.8 | Very low | 33.3 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -87.5 | 113 | 169 | 30.3 | -26.7 | 0 | 0 | 0 | 110.3 | ||||
| 72 | A | 32.1 | Very low | 33 | Very low | 86 Ų | 86 | 139.5 Ų | 139.5 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -77.8 | 133.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | A70 | A70-A72 PolarHBondContact O-N 3.09Š| ||
| 73 | L | 33 | Very low | 32.8 | Very low | 180 Ų | 180 | 136.2 Ų | 136.2 | 94% | 0.942 | 81% | 0.806 | S | S | * | * | trans | -137 | 124.8 | 148.8 | -78.8 | -178 | 0 | 0 | 0 | 110.2 | ||||
| 74 | L | 31.5 | Very low | 32.6 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -84.1 | 168.1 | -176.2 | -71.2 | 162.6 | 0 | 0 | 0 | 112.4 | ||||
| 75 | V | 33.6 | Very low | 32.4 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | 135.1 | 125.2 | 154.3 | 167.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 76 | D | 29.5 | Very low | 32.2 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | cis | -160.8 | 150.5 | -8.7 | -155.3 | -7.9 | 0 | 0 | 0 | 105.6 | ||||
| 77 | G | 30.5 | Very low | 31.8 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | -173.3 | 77.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 78 | A | 30 | Very low | 31.3 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 88% | 0.876 | 81% | 0.809 | S | S | * | * | trans | -55.4 | 142.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 79 | G | 30.2 | Very low | 30.9 | Very low | 63 Ų | 63 | 136.3 Ų | 136.3 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | trans | 155.6 | 96 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 80 | L | 33.9 | Very low | 30.7 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | 36.3 | 116.5 | 116 | -91.9 | 75.2 | 0 | 0 | 0 | 112 | |||||
| 81 | W | 31.8 | Very low | 30.1 | Very low | 243 Ų | 243 | 141.4 Ų | 141.4 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | -155 | 152.2 | 68.7 | -74.7 | 89.8 | 0 | 0 | 0 | 112.3 | |||||
| 82 | K | 29.2 | Very low | 29.9 | Very low | 200 Ų | 200 | 141.7 Ų | 141.7 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -93.5 | 148.4 | -179.4 | -141.8 | 178.9 | -171.7 | 177.8 | 0 | 110.2 | ||||
| 83 | A | 28.2 | Very low | 30 | Very low | 85 Ų | 85 | 143.5 Ų | 143.5 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | trans | 73.7 | 137.9 | 150.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 84 | N | 28.4 | Very low | 29.7 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | cis | -157.3 | 154.3 | 40.9 | -103.3 | -24.9 | 0 | 0 | 0 | 112.3 | ||||
| 85 | V | 29 | Very low | 29.5 | Very low | 134 Ų | 134 | 139 Ų | 139 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -103.5 | 135.1 | 161.9 | 168.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 86 | L | 27.7 | Very low | 29.1 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -172.9 | 118.7 | 147 | -133 | 74.9 | 0 | 0 | 0 | 106.4 | ||||
| 87 | G | 26.8 | Very low | 29 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | 80.6 | 145.1 | 82.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 88 | D | 27.9 | Very low | 28.7 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | cis | -172.7 | 165.6 | -7.5 | 179 | 25.6 | 0 | 0 | 0 | 104.7 | ||||
| 89 | R | 29.4 | Very low | 28.5 | Very low | 202 Ų | 202 | 144 Ų | 144 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 76.6 | 114.8 | 162.4 | -75.7 | 161 | 174.7 | -161.2 | -9.3 | 120.4 | ||||
| 90 | L | 28.1 | Very low | 28.5 | Very low | 144 Ų | 144 | 149 Ų | 149 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | 87.9 | 113.4 | 73.1 | -107.1 | 130.8 | 0 | 0 | 0 | 112.5 | |||||
| 91 | E | 26.5 | Very low | 28.6 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | 160.5 | 136.4 | 113.3 | -72.9 | -136.2 | 144.8 | 0 | 0 | 111.7 | |||||
| 92 | T | 30 | Very low | 28.4 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -118.9 | 138.3 | 168.8 | -50.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 93 | P | 35.6 | Very low | 28.5 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | -143.7 | 148.1 | 107.8 | 28.6 | -9.5 | 0 | 0 | 0 | 111 | |||||
| 94 | G | 25.9 | Very low | 28.6 | Very low | 62 Ų | 62 | 139.5 Ų | 139.5 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | cis | 105.6 | 92.5 | 41 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 95 | L | 27.6 | Very low | 28.8 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 98% | 0.979 | 81% | 0.806 | S | S | * | * | trans | -165.1 | 129.6 | 151.9 | -135 | 75.5 | 0 | 0 | 0 | 109.3 | ||||
| 96 | G | 25.8 | Very low | 29 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -95.8 | 177.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 97 | E | 26.1 | Very low | 29.4 | Very low | 194 Ų | 194 | 135 Ų | 135 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | -171.8 | 147.8 | 132.5 | -155.9 | 91.9 | 106.7 | 0 | 0 | 108.6 | ||||
| 98 | Q | 24.6 | Very low | 30 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -70.4 | 162 | -174.3 | -63.6 | -175.1 | -20 | 0 | 0 | 114.9 | ||||
| 99 | V | 26.7 | Very low | 30.5 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | 168.8 | 123.6 | 122.6 | 164.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 100 | E | 28.8 | Very low | 31.1 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -101.6 | 165.9 | 154.2 | -129 | -134.3 | 127.4 | 0 | 0 | 106.6 | ||||
| 101 | P | 37 | Very low | 31.9 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 62% | 0.623 | 80% | 0.8 | S | S | * | * | cis | -148.5 | -175.6 | 25.9 | 40.1 | -16.6 | 0 | 0 | 0 | 117.1 | ||||
| 102 | E | 27.8 | Very low | 33 | Very low | 175 Ų | 175 | 136.5 Ų | 136.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 69.3 | 115.6 | 155.3 | -55.6 | -158.2 | 142.8 | 0 | 0 | 121.4 | ||||
| 103 | S | 31.6 | Very low | 34 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | -178.5 | 131.3 | 108.2 | 65.9 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 104 | G | 30.4 | Very low | 34.7 | Very low | 78 Ų | 78 | 139.6 Ų | 139.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -73.5 | 150.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 105 | E | 32.4 | Very low | 35.8 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -143.2 | 116.8 | 147.9 | -131.9 | 173.6 | 149.6 | 0 | 0 | 108.3 | A107 | E105-A107 PolarHBondContact O-N 3.36Š| ||
| 106 | A | 33.2 | Very low | 36.4 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -54.6 | 127.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q108 | A106-Q108 PolarHBondContact O-N 3.34Š| ||
| 107 | A | 35.4 | Very low | 37 | Very low | 84 Ų | 84 | 144 Ų | 144 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | trans | -48.2 | 113.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | E105 L109 | E105-A107 PolarHBondContact O-N 3.36Å; A107-L109 PolarHBondContact O-N 3.15Å | ||
| 108 | Q | 38.7 | Very low | 38 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | -61.9 | 86.9 | 162.4 | -89.1 | 178.6 | -23.2 | 0 | 0 | 107.8 | A106 S110 | A106-Q108 PolarHBondContact O-N 3.34Å; Q108-S110 PolarHBondContact O-N 3.18Å | ||
| 109 | L | 39 | Very low | 39 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -67.2 | 88.4 | 164.9 | -71 | 171.9 | 0 | 0 | 0 | 107.1 | A107 S111 | A107-L109 PolarHBondContact O-N 3.15Å; L109-S111 PolarHBondContact O-N 3.35Å | ||
| 110 | S | 41.8 | Very low | 39.7 | Very low | 97 Ų | 97 | 142.4 Ų | 142.4 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -56.4 | 106.9 | 168.3 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | Q108 R112 | Q108-S110 PolarHBondContact O-N 3.18Å; S110-R112 VanDerWaalsContact C-N 3.28Å; S110-R112 PolarHBondContact O-N 2.95Å | ||
| 111 | S | 44.1 | Very low | 40.6 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | -61.6 | 91.6 | 169.3 | 56.2 | 0 | 0 | 0 | 0 | 108.3 | L109 L113 | L109-S111 PolarHBondContact O-N 3.35Å; S111-L113 PolarHBondContact O-N 3.04Å | ||
| 112 | R | 51 | Low | 40.7 | Very low | 210 Ų | 210 | 142.6 Ų | 142.6 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -69.1 | 88.3 | 169.3 | -70.6 | -173.3 | -179.3 | -155.4 | 1.6 | 107.7 | S110 F114 | S110-R112 VanDerWaalsContact C-N 3.28Å; S110-R112 PolarHBondContact O-N 2.95Å; R112-F114 PolarHBondContact O-N 3.35Å; R112-F114 VanDerWaalsContact O-N 3.14Å | ||
| 113 | L | 50.9 | Low | 41.5 | Very low | 149 Ų | 149 | 143 Ų | 143 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | -58.7 | 112 | 162.3 | -75.2 | 162 | 0 | 0 | 0 | 106.9 | S111 S115 | S111-L113 PolarHBondContact O-N 3.04Å; L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 3.2Å | ||
| 114 | F | 49.1 | Very low | 42.2 | Very low | 172 Ų | 172 | 139 Ų | 139 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | -69.3 | 88.8 | 171.1 | -75.7 | -88.6 | 0 | 0 | 0 | 108.3 | R112 Y116 | R112-F114 PolarHBondContact O-N 3.35Å; R112-F114 VanDerWaalsContact O-N 3.14Å; F114-Y116 HydrophobicContact CB-CE2 4.32Å; F114-Y116 PolarHBondContact O-N 3.14Å | ||
| 115 | S | 48.9 | Very low | 42.7 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -78.9 | 105.6 | 169.1 | -62.1 | 0 | 0 | 0 | 0 | 108.5 | L113 | L113-S115 VanDerWaalsContact C-N 3.27Å; L113-S115 PolarHBondContact O-N 3.2Å | ||
| 116 | Y | 40.3 | Very low | 43.3 | Very low | 187 Ų | 187 | 132.1 Ų | 132.1 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | trans | -74.4 | 134.9 | 165.2 | -64.7 | -84.1 | 0 | 0 | 0 | 108.8 | F114 V118 | F114-Y116 HydrophobicContact CB-CE2 4.32Å; F114-Y116 PolarHBondContact O-N 3.14Å; Y116-V118 PolarHBondContact O-N 3.09Å | ||
| 117 | P | 40.1 | Very low | 44.1 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | trans | -64 | 112 | 167.7 | 25.1 | -28.6 | 0 | 0 | 0 | 107.5 | E119 | P117-E119 VanDerWaalsContact C-N 3.31Å; P117-E119 PolarHBondContact O-N 2.87Å | ||
| 118 | V | 46.6 | Very low | 45.5 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | trans | -63.9 | 101.7 | 163.3 | 179.7 | 0 | 0 | 0 | 0 | 104.9 | Y116 K120 | Y116-V118 PolarHBondContact O-N 3.09Å; V118-K120 PolarHBondContact O-N 3.13Å; V118-K120 VanDerWaalsContact O-N 3.11Å | ||
| 119 | E | 46.2 | Very low | 47.4 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 72% | 0.715 | 70% | 0.701 | S | S | * | * | trans | -50.7 | 125.2 | 164.4 | -81.2 | -173 | 162 | 0 | 0 | 106.5 | P117 V121 | P117-E119 VanDerWaalsContact C-N 3.31Å; P117-E119 PolarHBondContact O-N 2.87Å; E119-V121 VanDerWaalsContact C-N 3.26Å; E119-V121 PolarHBondContact O-N 3.07Å | ||
| 120 | K | 41 | Very low | 49.8 | Very low | 201 Ų | 201 | 120.6 Ų | 120.6 | 87% | 0.874 | 67% | 0.67 | S | S | * | * | trans | -62.9 | 89.3 | -170.1 | -155.5 | 177.9 | -169.3 | 179 | 0 | 107.9 | V118 K122 | V118-K120 PolarHBondContact O-N 3.13Å; V118-K120 VanDerWaalsContact O-N 3.11Å; K120-K122 PolarHBondContact O-N 2.62Å | ||
| 121 | V | 47.5 | Very low | 52.2 | Low | 95 Ų | 95 | 116.8 Ų | 116.8 | 58% | 0.576 | 64% | 0.643 | S | S | * | * | trans | -55.5 | 115.7 | 169.5 | 178.3 | 0 | 0 | 0 | 0 | 105 | E119 K123 | E119-V121 VanDerWaalsContact C-N 3.26Å; E119-V121 PolarHBondContact O-N 3.07Å; V121-K123 VanDerWaalsContact C-N 3.3Å; V121-K123 PolarHBondContact O-N 3.24Å | ||
| 122 | K | 38.3 | Very low | 54.6 | Low | 171 Ų | 171 | 115 Ų | 115 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | trans | -62.1 | 95 | -178.6 | -170.7 | -178 | -178.1 | -172.7 | 0 | 106.9 | K120 S124 L177 | K120-K122 PolarHBondContact O-N 2.62Å; K122-S124 PolarHBondContact O-N 2.87Å; K122-L177 VanDerWaalsContact O-CD1 3.23Å; K122-L177 WeakPolarHBondContact O-CD1 3.47Å | ||
| 123 | K | 45.5 | Very low | 56.5 | Low | 185 Ų | 185 | 107.6 Ų | 107.6 | 80% | 0.804 | 60% | 0.603 | S | S | * | * | trans | -60.3 | 110.5 | 169.9 | -162.9 | 171.4 | -174.1 | 173.3 | 0 | 106.2 | V121 G125 | V121-K123 VanDerWaalsContact C-N 3.3Å; V121-K123 PolarHBondContact O-N 3.24Å; K123-G125 PolarHBondContact O-N 3.23Å | ||
| 124 | S | 46.7 | Very low | 58.6 | Low | 37 Ų | 37 | 106.8 Ų | 106.8 | 26% | 0.259 | 60% | 0.595 | S | S | . | * | trans | -61.1 | 133.7 | -178.3 | 44.2 | 0 | 0 | 0 | 0 | 109.5 | K122 G126 | K122-S124 PolarHBondContact O-N 2.87Å; S124-G126 PolarHBondContact O-N 3.43Å | ||
| 125 | G | 40.2 | Very low | 60.8 | Low | 93 Ų | 93 | 102.6 Ų | 102.6 | 96% | 0.959 | 58% | 0.578 | S | S | * | * | trans | -84.5 | 39.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K123 | K123-G125 PolarHBondContact O-N 3.23Š| ||
| 126 | G | 45.5 | Very low | 63.1 | Low | 36 Ų | 36 | 99.5 Ų | 99.5 | 37% | 0.371 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -86.8 | 143.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | S124 S128 | S124-G126 PolarHBondContact O-N 3.43Å; G126-S128 PolarHBondContact O-N 3.09Å |
| 127 | S | 48.8 | Very low | 65.8 | Low | 94 Ų | 94 | 91.4 Ų | 91.4 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | trans | -52.8 | 111.4 | 179.2 | 54.1 | 0 | 0 | 0 | 0 | 109.9 | S129 | S127-S129 PolarHBondContact O-N 3.11Š| ||
| 128 | S | 64.6 | Low | 68.5 | Low | 97 Ų | 97 | 89.1 Ų | 89.1 | 68% | 0.678 | 50% | 0.503 | S | S | * | . | trans | -72.1 | 17.6 | -173.4 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | G126 Y142 | G126-S128 PolarHBondContact O-N 3.09Å; S128-Y142 PolarHBondContact O-OH 3.21Å | ||
| 129 | S | 79.9 | Confident | 70.9 | Confident | 73 Ų | 73 | 83.2 Ų | 83.2 | 51% | 0.51 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -93.8 | 134.7 | 179.6 | 52.6 | 0 | 0 | 0 | 0 | 109.2 | S127 | S127-S129 PolarHBondContact O-N 3.11Š|
| 130 | P | 88.6 | Confident | 73.4 | Confident | 28 Ų | 28 | 76 Ų | 76 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -54.5 | 147.2 | 173.8 | -26.7 | 35.7 | 0 | 0 | 0 | 112 | Y142 E210 F215 | P130-Y142 HydrophobicContact CB-CD1 4.42Å; P130-Y142 HydrophobicContact CB-CE1 3.97Å; P130-Y142 HydrophobicContact CG-CE1 3.96Å; P130-E210 WeakPolarHBondContact CG-OE1 3.33Å; P130-F215 HydrophobicContact CG-CD1 4.07Å; P130-F215 HydrophobicContact CG-CD2 3.63Å; P130-F215 HydrophobicContact CG-CE1 4.03Å; P130-F215 HydrophobicContact CG-CE2 3.58Å; P130-F215 HydrophobicContact CG-CG 3.88Å; P130-F215 HydrophobicContact CG-CZ 3.79Å |
| 131 | P | 93.2 | Very high | 76.1 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 12% | 0.117 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 163.4 | 172 | -23.9 | 33.9 | 0 | 0 | 0 | 112.6 | H133 R138 Y142 | P131-H133 PolarHBondContact O-N 3.2Å; P131-R138 HydrophobicContact CB-CB 4.43Å; P131-R138 HydrophobicContact CB-CG 4.24Å; P131-R138 HydrophobicContact CG-CG 4.07Å; P131-Y142 VanDerWaalsContact CD-CG 3.42Å; P131-Y142 HydrophobicContact CG-CD2 4.25Å; P131-Y142 HydrophobicContact CG-CG 4Å |
| 132 | P | 93.1 | Very high | 78.5 | Confident | 62 Ų | 62 | 63.2 Ų | 63.2 | 40% | 0.403 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 131.7 | 169.1 | -21.1 | 32.9 | 0 | 0 | 0 | 110.8 | Q134 E135 | P132-Q134 PolarHBondContact O-N 2.99Å; P132-E135 WeakPolarHBondContact O-CB 3.45Å; P132-E135 PolarHBondContact O-N 3.2Å |
| 133 | H | 91.6 | Very high | 81.2 | Confident | 54 Ų | 54 | 55.2 Ų | 55.2 | 25% | 0.25 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.4 | -177.2 | 69.1 | -90.4 | 0 | 0 | 0 | 114 | P131 E135 W283 | P131-H133 PolarHBondContact O-N 3.2Å; H133-E135 PolarHBondContact O-N 3.17Å; H133-W283 HydrophobicContact CB-CB 4.21Å; H133-W283 HydrophobicContact CB-CE3 4.28Å; H133-W283 AromaticContact CD2-CD1 3.84Å; H133-W283 AromaticContact CD2-CD2 3.88Å; H133-W283 AromaticContact CD2-CG 3.53Å; H133-W283 AromaticContact CE1-CD2 3.81Å; H133-W283 AromaticContact CE1-CE2 3.74Å; H133-W283 AromaticContact CG-CD2 3.85Å; H133-W283 AromaticContact CG-CE3 3.95Å; H133-W283 AromaticContact CG-CG 3.89Å; H133-W283 AromaticContact ND1-CD2 3.81Å; H133-W283 AromaticContact ND1-CE3 3.81Å; H133-W283 AromaticContact NE2-CD1 3.68Å; H133-W283 AromaticContact NE2-CD2 3.89Å; H133-W283 AromaticContact NE2-CE2 3.92Å; H133-W283 AromaticContact NE2-CG 3.76Å; H133-W283 AromaticContact NE2-NE1 3.77Å |
| 134 | Q | 94.4 | Very high | 83.7 | Confident | 133 Ų | 133 | 46.4 Ų | 46.4 | 62% | 0.621 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -24.5 | 174.1 | -61.3 | 87.3 | -3.6 | 0 | 0 | 112.5 | P132 T136 | P132-Q134 PolarHBondContact O-N 2.99Å; Q134-T136 VanDerWaalsContact C-N 3.25Å; Q134-T136 PolarHBondContact O-N 3.16Å; Q134-T136 VanDerWaalsContact O-N 3.14Å |
| 135 | E | 96 | Very high | 86.1 | Confident | 83 Ų | 83 | 44.8 Ų | 44.8 | 39% | 0.388 | 29% | 0.285 | S | S | . | . | trans | -87.5 | 58 | 177.6 | -61.6 | 177.1 | -159.5 | 0 | 0 | 110.6 | P132 H133 A137 R138 T139 | P132-E135 WeakPolarHBondContact O-CB 3.45Å; P132-E135 PolarHBondContact O-N 3.2Å; H133-E135 PolarHBondContact O-N 3.17Å; E135-A137 VanDerWaalsContact C-N 3.34Å; E135-A137 PolarHBondContact O-N 2.91Å; E135-R138 HydrophobicContact CB-CB 3.85Å; E135-R138 CarbonylContact O-C 3.58Å; E135-R138 WeakPolarHBondContact O-CA 3.27Å; E135-R138 VanDerWaalsContact O-CB 3.28Å; E135-R138 WeakPolarHBondContact O-CB 3.46Å; E135-R138 PolarHBondContact O-N 3.39Å; E135-R138 WeakPolarHBondContact OE2-CD 3.4Å; E135-R138 IonicContact OE2-CZ 3.71Å; E135-R138 IonicContact OE2-NE 3.86Å; E135-R138 IonicContact OE2-NH1 2.88Å; E135-R138 PolarHBondContact OE2-NH1 3.35Å; E135-T139 PolarHBondContact O-N 3.44Å; E135-T139 PolarHBondContact O-OG1 3.12Å | ||
| 136 | T | 96.9 | Very high | 88.7 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 26% | 0.264 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -50.7 | -45.8 | -170.5 | 56 | 0 | 0 | 0 | 0 | 114.1 | Q134 R138 T139 A140 L280 I290 | Q134-T136 VanDerWaalsContact C-N 3.25Å; Q134-T136 PolarHBondContact O-N 3.16Å; Q134-T136 VanDerWaalsContact O-N 3.14Å; T136-R138 VanDerWaalsContact C-N 3.31Å; T136-R138 PolarHBondContact O-N 3.08Å; T136-T139 PolarHBondContact O-N 2.88Å; T136-A140 WeakPolarHBondContact O-CB 3.34Å; T136-A140 PolarHBondContact O-N 3.11Å; T136-L280 HydrophobicContact CG2-CD2 4.43Å; T136-L280 WeakPolarHBondContact O-CD2 3.46Å; T136-I290 WeakPolarHBondContact O-CD1 3.34Å |
| 137 | A | 97.8 | Very high | 91.2 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -37.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E135 R141 I290 D294 A298 | E135-A137 VanDerWaalsContact C-N 3.34Å; E135-A137 PolarHBondContact O-N 2.91Å; A137-R141 WeakPolarHBondContact O-CG 3.47Å; A137-R141 PolarHBondContact O-N 2.67Å; A137-I290 HydrophobicContact CB-CG2 3.92Å; A137-D294 HydrophobicContact CB-CB 4.13Å; A137-A298 HydrophobicContact CB-CB 3.96Å |
| 138 | R | 97.1 | Very high | 93.4 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 27% | 0.268 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70 | -43 | 176.6 | -160.9 | -173.7 | 174.8 | -164.6 | -3.1 | 111.1 | P131 E135 T136 R141 Y142 T299 F301 | P131-R138 HydrophobicContact CB-CB 4.43Å; P131-R138 HydrophobicContact CB-CG 4.24Å; P131-R138 HydrophobicContact CG-CG 4.07Å; E135-R138 HydrophobicContact CB-CB 3.85Å; E135-R138 CarbonylContact O-C 3.58Å; E135-R138 WeakPolarHBondContact O-CA 3.27Å; E135-R138 VanDerWaalsContact O-CB 3.28Å; E135-R138 WeakPolarHBondContact O-CB 3.46Å; E135-R138 PolarHBondContact O-N 3.39Å; E135-R138 WeakPolarHBondContact OE2-CD 3.4Å; E135-R138 IonicContact OE2-CZ 3.71Å; E135-R138 IonicContact OE2-NE 3.86Å; E135-R138 IonicContact OE2-NH1 2.88Å; E135-R138 PolarHBondContact OE2-NH1 3.35Å; T136-R138 VanDerWaalsContact C-N 3.31Å; T136-R138 PolarHBondContact O-N 3.08Å; R138-R141 PolarHBondContact O-N 3.44Å; R138-Y142 VanDerWaalsContact O-CB 3.31Å; R138-Y142 WeakPolarHBondContact O-CB 3.41Å; R138-Y142 PolarHBondContact O-N 3.08Å; R138-T299 WeakPolarHBondContact CG-O 3.11Å; R138-F301 PolarHBondContact NE-O 3.43Å; R138-F301 VanDerWaalsContact NH2-C 3.29Å; R138-F301 PolarHBondContact NH2-O 3.32Å; R138-F301 PolarHBondContact NH2-OXT 2.84Å; R138-F301 VanDerWaalsContact NH2-OXT 3.11Å |
| 139 | T | 96.8 | Very high | 95 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 174.5 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | E135 T136 R141 Y142 I143 L280 D282 | E135-T139 PolarHBondContact O-N 3.44Å; E135-T139 PolarHBondContact O-OG1 3.12Å; T136-T139 PolarHBondContact O-N 2.88Å; T139-R141 PolarHBondContact O-N 3Å; T139-Y142 WeakPolarHBondContact O-CB 3.34Å; T139-Y142 PolarHBondContact O-N 3.34Å; T139-I143 HydrophobicContact CG2-CD1 4.02Å; T139-I143 WeakPolarHBondContact O-CG1 3.21Å; T139-I143 PolarHBondContact O-N 2.89Å; T139-L280 HydrophobicContact CG2-CD1 4.34Å; T139-L280 HydrophobicContact CG2-CD2 4.17Å; T139-D282 HydrophobicContact CG2-CB 4.13Å |
| 140 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | T136 I143 A144 L231 V278 I290 Y295 | T136-A140 WeakPolarHBondContact O-CB 3.34Å; T136-A140 PolarHBondContact O-N 3.11Å; A140-I143 PolarHBondContact O-N 2.71Å; A140-A144 WeakPolarHBondContact O-CB 3.26Å; A140-A144 PolarHBondContact O-N 2.71Å; A140-L231 HydrophobicContact CB-CD1 3.74Å; A140-L231 HydrophobicContact CB-CD2 4.39Å; A140-L231 WeakPolarHBondContact O-CD2 3.11Å; A140-V278 HydrophobicContact CB-CG1 4.1Å; A140-I290 HydrophobicContact CB-CD1 3.58Å; A140-Y295 HydrophobicContact CB-CD2 4.01Å; A140-Y295 HydrophobicContact CB-CE2 4.16Å |
| 141 | R | 97.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 2% | 0.023 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 176.1 | -74.1 | -65.2 | -62.5 | -77.6 | -4 | 112.8 | A137 R138 T139 A144 H145 S180 G182 Y295 F296 A298 P300 | A137-R141 WeakPolarHBondContact O-CG 3.47Å; A137-R141 PolarHBondContact O-N 2.67Å; R138-R141 PolarHBondContact O-N 3.44Å; T139-R141 PolarHBondContact O-N 3Å; R141-A144 PolarHBondContact O-N 3.36Å; R141-H145 VanDerWaalsContact O-CB 3.23Å; R141-H145 WeakPolarHBondContact O-CB 3.28Å; R141-H145 PolarHBondContact O-N 3.01Å; R141-S180 PolarHBondContact NH2-O 3.36Å; R141-S180 PolarHBondContact NH2-OG 2.98Å; R141-G182 VanDerWaalsContact NE-CA 3.28Å; R141-Y295 VanDerWaalsContact CD-O 3.29Å; R141-Y295 WeakPolarHBondContact CD-O 3.31Å; R141-Y295 HydrophobicContact CG-CD2 3.94Å; R141-Y295 HydrophobicContact CG-CE2 3.89Å; R141-Y295 HydrophobicContact CG-CG 4.46Å; R141-Y295 VanDerWaalsContact CG-O 3.23Å; R141-Y295 WeakPolarHBondContact CG-O 3.25Å; R141-Y295 PolarHBondContact NH1-O 2.75Å; R141-F296 PolarHBondContact NH1-O 3.04Å; R141-A298 HydrophobicContact CG-CB 4.04Å; R141-A298 PolarHBondContact NH1-O 3.49Å; R141-P300 HydrophobicContact CB-CB 4.3Å |
| 142 | Y | 96.8 | Very high | 96.6 | Very high | 22 Ų | 22 | 40 Ų | 40 | 9% | 0.086 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -52 | 174.1 | 171.7 | -92 | 0 | 0 | 0 | 111.1 | S128 P130 P131 R138 T139 A144 H145 Y146 | S128-Y142 PolarHBondContact O-OH 3.21Å; P130-Y142 HydrophobicContact CB-CD1 4.42Å; P130-Y142 HydrophobicContact CB-CE1 3.97Å; P130-Y142 HydrophobicContact CG-CE1 3.96Å; P131-Y142 VanDerWaalsContact CD-CG 3.42Å; P131-Y142 HydrophobicContact CG-CD2 4.25Å; P131-Y142 HydrophobicContact CG-CG 4Å; R138-Y142 VanDerWaalsContact O-CB 3.31Å; R138-Y142 WeakPolarHBondContact O-CB 3.41Å; R138-Y142 PolarHBondContact O-N 3.08Å; T139-Y142 WeakPolarHBondContact O-CB 3.34Å; T139-Y142 PolarHBondContact O-N 3.34Å; Y142-A144 PolarHBondContact O-N 3.31Å; Y142-H145 PolarHBondContact O-N 3.09Å; Y142-Y146 AromaticContact CD2-CD2 3.36Å; Y142-Y146 HydrophobicContact CD2-CD2 3.36Å; Y142-Y146 AromaticContact CD2-CE2 3.39Å; Y142-Y146 HydrophobicContact CD2-CE2 3.39Å; Y142-Y146 AromaticContact CE2-CD2 3.36Å; Y142-Y146 HydrophobicContact CE2-CD2 3.36Å; Y142-Y146 AromaticContact CE2-CE2 3.4Å; Y142-Y146 HydrophobicContact CE2-CE2 3.4Å; Y142-Y146 VanDerWaalsContact CE2-CE2 3.4Å; Y142-Y146 HydrophobicContact CE2-CG 4.2Å; Y142-Y146 AromaticContact CG-CD2 3.97Å; Y142-Y146 HydrophobicContact CG-CD2 3.97Å; Y142-Y146 HydrophobicContact CG-CE2 4.38Å; Y142-Y146 AromaticContact CZ-CD2 3.98Å; Y142-Y146 VanDerWaalsContact O-CD2 3.31Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.4Å; Y142-Y146 PolarHBondContact O-N 2.94Å |
| 143 | I | 96.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 179.5 | -64.4 | 165.7 | 0 | 0 | 0 | 110.4 | T139 A140 H145 S147 F208 E210 A229 L231 L280 | T139-I143 HydrophobicContact CG2-CD1 4.02Å; T139-I143 WeakPolarHBondContact O-CG1 3.21Å; T139-I143 PolarHBondContact O-N 2.89Å; A140-I143 PolarHBondContact O-N 2.71Å; I143-H145 VanDerWaalsContact C-N 3.31Å; I143-H145 PolarHBondContact O-N 3.07Å; I143-S147 VanDerWaalsContact O-CB 3.27Å; I143-S147 WeakPolarHBondContact O-CB 3.37Å; I143-S147 PolarHBondContact O-N 2.83Å; I143-S147 VanDerWaalsContact O-N 3.11Å; I143-S147 PolarHBondContact O-OG 3.4Å; I143-F208 HydrophobicContact CG2-CB 3.6Å; I143-F208 HydrophobicContact CG2-CG 4.31Å; I143-E210 HydrophobicContact CD1-CG 4.26Å; I143-E210 HydrophobicContact CG1-CG 3.99Å; I143-A229 HydrophobicContact CD1-CB 3.6Å; I143-L231 HydrophobicContact CB-CB 4.26Å; I143-L231 HydrophobicContact CB-CD2 4.11Å; I143-L231 HydrophobicContact CD1-CB 4.23Å; I143-L231 HydrophobicContact CG2-CB 3.79Å; I143-L231 HydrophobicContact CG2-CD2 4.13Å; I143-L280 HydrophobicContact CD1-CD1 3.77Å |
| 144 | A | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -40.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A140 R141 Y142 I184 L231 | A140-A144 WeakPolarHBondContact O-CB 3.26Å; A140-A144 PolarHBondContact O-N 2.71Å; R141-A144 PolarHBondContact O-N 3.36Å; Y142-A144 PolarHBondContact O-N 3.31Å; A144-I184 HydrophobicContact CB-CD1 4.02Å; A144-L231 HydrophobicContact CB-CD2 3.97Å |
| 145 | H | 97.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -75.2 | -39.4 | -176.6 | -176.2 | 54.8 | 0 | 0 | 0 | 113.6 | R141 Y142 I143 D174 P176 L177 P300 F301 | R141-H145 VanDerWaalsContact O-CB 3.23Å; R141-H145 WeakPolarHBondContact O-CB 3.28Å; R141-H145 PolarHBondContact O-N 3.01Å; Y142-H145 PolarHBondContact O-N 3.09Å; I143-H145 VanDerWaalsContact C-N 3.31Å; I143-H145 PolarHBondContact O-N 3.07Å; H145-D174 WeakPolarHBondContact CA-OD1 3.33Å; H145-D174 IonicContact CE1-OD1 3.76Å; H145-D174 IonicContact CG-OD1 3.67Å; H145-D174 IonicContact ND1-OD1 2.69Å; H145-D174 PolarHBondContact ND1-OD1 2.97Å; H145-D174 IonicContact ND1-OD2 3.12Å; H145-P176 PolarHBondContact CE1-O 3.26Å; H145-P176 VanDerWaalsContact CE1-O 3.3Å; H145-L177 PolarHBondContact NE2-O 3.05Å; H145-P300 HydrophobicContact CB-CB 3.72Å; H145-P300 HydrophobicContact CB-CG 3.97Å; H145-F301 AromaticContact CD2-CE1 3.8Å; H145-F301 AromaticContact NE2-CE1 3.5Å; H145-F301 WeakPolarHBondContact NE2-CE1 3.4Å; H145-F301 AromaticContact NE2-CZ 3.6Å |
| 146 | Y | 95.1 | Very high | 97.5 | Very high | 72 Ų | 72 | 29 Ų | 29 | 28% | 0.282 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -90 | -1.8 | -177 | -73.9 | -79.8 | 0 | 0 | 0 | 113.8 | Y142 | Y142-Y146 AromaticContact CD2-CD2 3.36Å; Y142-Y146 HydrophobicContact CD2-CD2 3.36Å; Y142-Y146 AromaticContact CD2-CE2 3.39Å; Y142-Y146 HydrophobicContact CD2-CE2 3.39Å; Y142-Y146 AromaticContact CE2-CD2 3.36Å; Y142-Y146 HydrophobicContact CE2-CD2 3.36Å; Y142-Y146 AromaticContact CE2-CE2 3.4Å; Y142-Y146 HydrophobicContact CE2-CE2 3.4Å; Y142-Y146 VanDerWaalsContact CE2-CE2 3.4Å; Y142-Y146 HydrophobicContact CE2-CG 4.2Å; Y142-Y146 AromaticContact CG-CD2 3.97Å; Y142-Y146 HydrophobicContact CG-CD2 3.97Å; Y142-Y146 HydrophobicContact CG-CE2 4.38Å; Y142-Y146 AromaticContact CZ-CD2 3.98Å; Y142-Y146 VanDerWaalsContact O-CD2 3.31Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.4Å; Y142-Y146 PolarHBondContact O-N 2.94Å |
| 147 | S | 96.2 | Very high | 97.6 | Very high | 14 Ų | 14 | 28.6 Ų | 28.6 | 10% | 0.098 | 14% | 0.139 | C | C | . | . | trans | -91.3 | 118.3 | 173.2 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | I143 | I143-S147 VanDerWaalsContact O-CB 3.27Å; I143-S147 WeakPolarHBondContact O-CB 3.37Å; I143-S147 PolarHBondContact O-N 2.83Å; I143-S147 VanDerWaalsContact O-N 3.11Å; I143-S147 PolarHBondContact O-OG 3.4Å | ||
| 148 | D | 96.8 | Very high | 97.5 | Very high | 69 Ų | 69 | 30.6 Ų | 30.6 | 37% | 0.369 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -81.4 | -16.8 | 177.5 | -72.2 | -43.7 | 0 | 0 | 0 | 112.3 | S171 V172 R255 H256 | D148-S171 WeakPolarHBondContact O-CA 3.47Å; D148-V172 PolarHBondContact O-N 2.92Å; D148-R255 WeakPolarHBondContact OD1-CD 3.42Å; D148-R255 IonicContact OD1-NE 3.79Å; D148-R255 PolarHBondContact OD1-NE 2.9Å; D148-R255 VanDerWaalsContact OD1-NE 3.12Å; D148-H256 PolarHBondContact O-CE1 2.82Å; D148-H256 PolarHBondContact O-NE2 2.72Å |
| 149 | W | 98.1 | Very high | 97.5 | Very high | 99 Ų | 99 | 33.8 Ų | 33.8 | 38% | 0.375 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 170.1 | 178.8 | 63 | -81.8 | 0 | 0 | 0 | 110.6 | I169 F170 F208 E212 | W149-I169 HydrophobicContact CD2-CG2 4.4Å; W149-I169 HydrophobicContact CE3-CG2 3.75Å; W149-I169 HydrophobicContact CZ3-CG1 4.48Å; W149-I169 HydrophobicContact CZ3-CG2 4.36Å; W149-F170 CarbonylContact C-O 3.58Å; W149-F170 WeakPolarHBondContact CA-O 3.48Å; W149-F170 WeakPolarHBondContact CB-O 3.29Å; W149-F208 WeakPolarHBondContact O-CD1 3.39Å; W149-F208 VanDerWaalsContact O-CE1 3.32Å; W149-F208 WeakPolarHBondContact O-CE1 3.21Å; W149-E212 VanDerWaalsContact CE2-CD 3.49Å; W149-E212 HydrophobicContact CH2-CG 3.66Å; W149-E212 VanDerWaalsContact CH2-OE1 3.28Å; W149-E212 WeakPolarHBondContact CH2-OE1 3.45Å; W149-E212 HydrophobicContact CZ2-CB 3.98Å; W149-E212 HydrophobicContact CZ2-CG 3.37Å; W149-E212 WeakPolarHBondContact CZ2-OE2 3.42Å; W149-E212 WeakPolarHBondContact CZ3-OE1 3.46Å; W149-E212 PolarHBondContact NE1-OE2 2.85Å |
| 150 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 174 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | F170 | G150-F170 PolarHBondContact N-O 2.87Å; G150-F170 PolarHBondContact O-N 2.92Å |
| 151 | H | 98.2 | Very high | 97.5 | Very high | 83 Ų | 83 | 46.3 Ų | 46.3 | 38% | 0.384 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 108.1 | -179.2 | -175.8 | -81.2 | 0 | 0 | 0 | 110.9 | G167 N168 L206 T207 | H151-G167 WeakPolarHBondContact CE1-CA 3.37Å; H151-G167 WeakPolarHBondContact NE2-CA 3.38Å; H151-N168 CarbonylContact C-O 3.54Å; H151-L206 WeakPolarHBondContact O-CA 3.5Å; H151-T207 PolarHBondContact N-O 3.13Å; H151-T207 PolarHBondContact O-N 3.26Å |
| 152 | L | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.8 | 178.9 | -169.2 | 68.7 | 0 | 0 | 0 | 110.1 | G167 N168 F170 F186 T194 L198 A204 L206 M273 | L152-G167 WeakPolarHBondContact O-CA 3.42Å; L152-N168 PolarHBondContact N-O 2.95Å; L152-N168 PolarHBondContact O-N 3Å; L152-F170 HydrophobicContact CB-CD2 3.73Å; L152-F170 HydrophobicContact CB-CE2 4.35Å; L152-F170 HydrophobicContact CB-CG 4.49Å; L152-F170 HydrophobicContact CD2-CD2 3.82Å; L152-F170 HydrophobicContact CD2-CE2 3.97Å; L152-F170 HydrophobicContact CD2-CG 4.3Å; L152-F170 HydrophobicContact CG-CD2 4.43Å; L152-F186 HydrophobicContact CD1-CE1 4.48Å; L152-F186 HydrophobicContact CD1-CZ 4.5Å; L152-F186 HydrophobicContact CD2-CE1 4.4Å; L152-T194 HydrophobicContact CD2-CG2 3.97Å; L152-L198 HydrophobicContact CD2-CD1 4.5Å; L152-A204 HydrophobicContact CD1-CB 3.81Å; L152-A204 HydrophobicContact CG-CB 4.32Å; L152-L206 HydrophobicContact CB-CD1 4.21Å; L152-L206 HydrophobicContact CD1-CB 3.96Å; L152-L206 HydrophobicContact CD1-CD1 4.27Å; L152-M273 HydrophobicContact CD1-CE 3.85Å |
| 153 | A | 98.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 55.2 Ų | 55.2 | 27% | 0.273 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F166 A204 S205 | A153-F166 CarbonylContact C-O 3.58Å; A153-F166 VanDerWaalsContact CA-O 3.32Å; A153-F166 WeakPolarHBondContact CA-O 3.42Å; A153-A204 VanDerWaalsContact O-CA 3.3Å; A153-A204 WeakPolarHBondContact O-CA 3.36Å; A153-A204 WeakPolarHBondContact O-CB 3.32Å; A153-S205 PolarHBondContact N-O 2.82Å; A153-S205 PolarHBondContact O-N 2.88Å; A153-S205 VanDerWaalsContact O-N 3.16Å |
| 154 | T | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 171.6 | 176.7 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | P165 F166 T194 D197 L198 A204 | T154-P165 CarbonylContact O-C 3.49Å; T154-P165 WeakPolarHBondContact O-CA 3.32Å; T154-F166 PolarHBondContact N-O 3.14Å; T154-F166 PolarHBondContact O-N 3.47Å; T154-T194 HydrophobicContact CG2-CG2 3.56Å; T154-D197 PolarHBondContact OG1-OD2 3.01Å; T154-D197 VanDerWaalsContact OG1-OD2 3.13Å; T154-L198 HydrophobicContact CG2-CD2 3.6Å; T154-L198 HydrophobicContact CG2-CG 3.94Å; T154-A204 HydrophobicContact CG2-CB 4.1Å |
| 155 | I | 98.6 | Very high | 97.7 | Very high | 63 Ų | 63 | 63.3 Ų | 63.3 | 32% | 0.323 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.9 | 170.7 | -57.5 | -54.8 | 0 | 0 | 0 | 108.9 | D197 | I155-D197 WeakPolarHBondContact O-CB 3.39Å |
| 156 | S | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.021 | 34% | 0.336 | C | S | . | . | trans | -71.4 | 143.1 | -170.5 | -156.6 | 0 | 0 | 0 | 0 | 113.9 | Q158 I161 R162 G163 V164 D197 | S156-Q158 PolarHBondContact OG-N 3.28Å; S156-Q158 PolarHBondContact OG-NE2 3.03Å; S156-I161 WeakPolarHBondContact CB-O 3.42Å; S156-R162 CarbonylContact O-C 3.47Å; S156-R162 VanDerWaalsContact O-CA 3.32Å; S156-R162 WeakPolarHBondContact O-CA 3.44Å; S156-G163 PolarHBondContact O-N 2.93Å; S156-V164 WeakPolarHBondContact CB-O 3.35Å; S156-V164 PolarHBondContact N-O 3.41Å; S156-D197 WeakPolarHBondContact CA-OD1 3.44Å; S156-D197 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 157 | T | 98.1 | Very high | 97.8 | Very high | 33 Ų | 33 | 63.9 Ų | 63.9 | 20% | 0.202 | 34% | 0.338 | C | S | . | . | trans | -105.2 | -9.4 | 173.7 | 57.6 | 0 | 0 | 0 | 0 | 112.6 | R162 D197 | T157-R162 PolarHBondContact O-NE 2.95Å; T157-R162 PolarHBondContact O-NH2 3.18Å; T157-D197 WeakPolarHBondContact CB-OD1 3.02Å; T157-D197 PolarHBondContact N-OD1 2.62Å; T157-D197 PolarHBondContact OG1-OD1 3.33Å | ||
| 158 | Q | 96.6 | Very high | 97.9 | Very high | 60 Ų | 60 | 65.4 Ų | 65.4 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -58.1 | 139.8 | 178.1 | -63.1 | 179 | 65.3 | 0 | 0 | 111.4 | S156 K160 I161 R162 N193 | S156-Q158 PolarHBondContact OG-N 3.28Å; S156-Q158 PolarHBondContact OG-NE2 3.03Å; Q158-K160 VanDerWaalsContact C-N 3.32Å; Q158-K160 PolarHBondContact O-N 2.89Å; Q158-K160 VanDerWaalsContact O-N 3.14Å; Q158-I161 HydrophobicContact CB-CD1 4.45Å; Q158-I161 HydrophobicContact CB-CG1 3.84Å; Q158-I161 CarbonylContact O-C 3.54Å; Q158-I161 PolarHBondContact O-N 2.89Å; Q158-I161 VanDerWaalsContact O-N 3.11Å; Q158-R162 WeakPolarHBondContact O-CA 3.44Å; Q158-R162 PolarHBondContact O-N 2.8Å; Q158-N193 HydrophobicContact CG-CB 4.49Å |
| 159 | D | 96.9 | Very high | 98 | Very high | 138 Ų | 138 | 67.2 Ų | 67.2 | 74% | 0.738 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -40.1 | -167.1 | -69.1 | -33.2 | 0 | 0 | 0 | 114.6 | R162 | D159-R162 IonicContact OD1-CZ 2.74Å; D159-R162 IonicContact OD1-NH2 3.59Å; D159-R162 PolarHBondContact OD1-NH2 3.47Å |
| 160 | K | 97.6 | Very high | 98 | Very high | 207 Ų | 207 | 63.1 Ų | 63.1 | 90% | 0.9 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -21 | -176.8 | -67.6 | -176.3 | -179.8 | 176.5 | 0 | 114.3 | Q158 | Q158-K160 VanDerWaalsContact C-N 3.32Å; Q158-K160 PolarHBondContact O-N 2.89Å; Q158-K160 VanDerWaalsContact O-N 3.14Å |
| 161 | I | 97.4 | Very high | 98 | Very high | 59 Ų | 59 | 65.2 Ų | 65.2 | 30% | 0.303 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -129.8 | 25.2 | -173.2 | 59.8 | 165.6 | 0 | 0 | 0 | 112 | S156 Q158 G163 V164 F166 | S156-I161 WeakPolarHBondContact CB-O 3.42Å; Q158-I161 HydrophobicContact CB-CD1 4.45Å; Q158-I161 HydrophobicContact CB-CG1 3.84Å; Q158-I161 CarbonylContact O-C 3.54Å; Q158-I161 PolarHBondContact O-N 2.89Å; Q158-I161 VanDerWaalsContact O-N 3.11Å; I161-G163 PolarHBondContact O-N 2.98Å; I161-V164 HydrophobicContact CB-CB 4.24Å; I161-V164 HydrophobicContact CB-CG2 4.39Å; I161-V164 VanDerWaalsContact O-CB 3.29Å; I161-V164 WeakPolarHBondContact O-CB 3.49Å; I161-V164 WeakPolarHBondContact O-CG2 3.23Å; I161-V164 PolarHBondContact O-N 3.48Å; I161-F166 HydrophobicContact CD1-CD2 4.06Å |
| 162 | R | 98.1 | Very high | 98 | Very high | 164 Ų | 164 | 61.2 Ų | 61.2 | 62% | 0.619 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 126.8 | -178.1 | -175.9 | 172.4 | -68.7 | 154.5 | 7.6 | 110.9 | S156 T157 Q158 D159 V164 | S156-R162 CarbonylContact O-C 3.47Å; S156-R162 VanDerWaalsContact O-CA 3.32Å; S156-R162 WeakPolarHBondContact O-CA 3.44Å; T157-R162 PolarHBondContact O-NE 2.95Å; T157-R162 PolarHBondContact O-NH2 3.18Å; Q158-R162 WeakPolarHBondContact O-CA 3.44Å; Q158-R162 PolarHBondContact O-N 2.8Å; D159-R162 IonicContact OD1-CZ 2.74Å; D159-R162 IonicContact OD1-NH2 3.59Å; D159-R162 PolarHBondContact OD1-NH2 3.47Å; R162-V164 VanDerWaalsContact C-N 3.3Å |
| 163 | G | 97.6 | Very high | 98 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | S156 I161 | S156-G163 PolarHBondContact O-N 2.93Å; I161-G163 PolarHBondContact O-N 2.98Å |
| 164 | V | 98.3 | Very high | 98 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -89.2 | 141.6 | 177.3 | -175 | 0 | 0 | 0 | 0 | 109.6 | S156 I161 R162 F166 | S156-V164 WeakPolarHBondContact CB-O 3.35Å; S156-V164 PolarHBondContact N-O 3.41Å; I161-V164 HydrophobicContact CB-CB 4.24Å; I161-V164 HydrophobicContact CB-CG2 4.39Å; I161-V164 VanDerWaalsContact O-CB 3.29Å; I161-V164 WeakPolarHBondContact O-CB 3.49Å; I161-V164 WeakPolarHBondContact O-CG2 3.23Å; I161-V164 PolarHBondContact O-N 3.48Å; R162-V164 VanDerWaalsContact C-N 3.3Å; V164-F166 PolarHBondContact O-N 3.28Å |
| 165 | P | 98.1 | Very high | 97.9 | Very high | 98 Ų | 98 | 59.6 Ų | 59.6 | 64% | 0.636 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 132.6 | 172.7 | -24.2 | 34.4 | 0 | 0 | 0 | 111.6 | T154 | T154-P165 CarbonylContact O-C 3.49Å; T154-P165 WeakPolarHBondContact O-CA 3.32Å |
| 166 | F | 98.1 | Very high | 97.8 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 25% | 0.25 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.7 | 176.6 | 179.8 | -108.3 | 0 | 0 | 0 | 109.7 | A153 T154 I161 V164 N168 | A153-F166 CarbonylContact C-O 3.58Å; A153-F166 VanDerWaalsContact CA-O 3.32Å; A153-F166 WeakPolarHBondContact CA-O 3.42Å; T154-F166 PolarHBondContact N-O 3.14Å; T154-F166 PolarHBondContact O-N 3.47Å; I161-F166 HydrophobicContact CD1-CD2 4.06Å; V164-F166 PolarHBondContact O-N 3.28Å; F166-N168 HydrophobicContact CD1-CB 4.44Å; F166-N168 HydrophobicContact CE1-CB 3.86Å |
| 167 | G | 97.8 | Very high | 97.5 | Very high | 32 Ų | 32 | 59 Ų | 59 | 33% | 0.33 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 132.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | H151 L152 | H151-G167 WeakPolarHBondContact CE1-CA 3.37Å; H151-G167 WeakPolarHBondContact NE2-CA 3.38Å; L152-G167 WeakPolarHBondContact O-CA 3.42Å |
| 168 | N | 98 | Very high | 97.2 | Very high | 46 Ų | 46 | 63.8 Ų | 63.8 | 25% | 0.246 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 158.2 | 177.2 | -166 | 12.3 | 0 | 0 | 0 | 111 | H151 L152 F166 F170 T194 | H151-N168 CarbonylContact C-O 3.54Å; L152-N168 PolarHBondContact N-O 2.95Å; L152-N168 PolarHBondContact O-N 3Å; F166-N168 HydrophobicContact CD1-CB 4.44Å; F166-N168 HydrophobicContact CE1-CB 3.86Å; N168-F170 HydrophobicContact CB-CD2 4.44Å; N168-F170 HydrophobicContact CB-CE2 3.95Å; N168-T194 WeakPolarHBondContact CB-OG1 3.28Å; N168-T194 PolarHBondContact ND2-OG1 3.43Å |
| 169 | I | 97.8 | Very high | 97 | Very high | 106 Ų | 106 | 64.9 Ų | 64.9 | 54% | 0.544 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 128.9 | -178.3 | -64.5 | 170.8 | 0 | 0 | 0 | 109 | W149 | W149-I169 HydrophobicContact CD2-CG2 4.4Å; W149-I169 HydrophobicContact CE3-CG2 3.75Å; W149-I169 HydrophobicContact CZ3-CG1 4.48Å; W149-I169 HydrophobicContact CZ3-CG2 4.36Å |
| 170 | F | 98.3 | Very high | 97 | Very high | 14 Ų | 14 | 59 Ų | 59 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 133.6 | 174.8 | -81.9 | -95.1 | 0 | 0 | 0 | 110.7 | W149 G150 L152 N168 V172 F186 V188 T194 | W149-F170 CarbonylContact C-O 3.58Å; W149-F170 WeakPolarHBondContact CA-O 3.48Å; W149-F170 WeakPolarHBondContact CB-O 3.29Å; G150-F170 PolarHBondContact N-O 2.87Å; G150-F170 PolarHBondContact O-N 2.92Å; L152-F170 HydrophobicContact CB-CD2 3.73Å; L152-F170 HydrophobicContact CB-CE2 4.35Å; L152-F170 HydrophobicContact CB-CG 4.49Å; L152-F170 HydrophobicContact CD2-CD2 3.82Å; L152-F170 HydrophobicContact CD2-CE2 3.97Å; L152-F170 HydrophobicContact CD2-CG 4.3Å; L152-F170 HydrophobicContact CG-CD2 4.43Å; N168-F170 HydrophobicContact CB-CD2 4.44Å; N168-F170 HydrophobicContact CB-CE2 3.95Å; F170-V172 HydrophobicContact CB-CG1 4.43Å; F170-F186 HydrophobicContact CB-CD1 3.97Å; F170-F186 HydrophobicContact CB-CE1 4.15Å; F170-F186 HydrophobicContact CD1-CD1 4.19Å; F170-F186 HydrophobicContact CG-CD1 4.27Å; F170-V188 HydrophobicContact CD1-CG1 3.88Å; F170-V188 HydrophobicContact CE1-CB 4.42Å; F170-V188 HydrophobicContact CE1-CG1 3.58Å; F170-T194 HydrophobicContact CE2-CG2 3.61Å; F170-T194 HydrophobicContact CZ-CG2 3.85Å |
| 171 | S | 98.4 | Very high | 97 | Very high | 43 Ų | 43 | 51.4 Ų | 51.4 | 30% | 0.301 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 137.6 | 161.7 | -66.2 | 0 | 0 | 0 | 0 | 109.7 | D148 | D148-S171 WeakPolarHBondContact O-CA 3.47Å |
| 172 | V | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 167.7 | -175.5 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | D148 F170 I184 Y185 F186 L206 F208 H256 | D148-V172 PolarHBondContact O-N 2.92Å; F170-V172 HydrophobicContact CB-CG1 4.43Å; V172-I184 HydrophobicContact CB-CG2 3.64Å; V172-I184 HydrophobicContact CG1-CG2 3.84Å; V172-I184 HydrophobicContact CG2-CG2 4.24Å; V172-Y185 WeakPolarHBondContact CA-O 3.37Å; V172-F186 HydrophobicContact CG1-CD1 3.71Å; V172-F186 HydrophobicContact CG1-CE1 3.46Å; V172-F186 VanDerWaalsContact CG1-CE1 3.46Å; V172-F186 HydrophobicContact CG1-CZ 4.1Å; V172-L206 HydrophobicContact CG1-CD2 4.18Å; V172-F208 HydrophobicContact CG2-CE1 3.58Å; V172-F208 HydrophobicContact CG2-CZ 3.86Å; V172-H256 PolarHBondContact O-NE2 2.52Å |
| 173 | S | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 142.1 | 169.1 | 173.5 | 0 | 0 | 0 | 0 | 109.3 | G175 Y185 A251 R255 | S173-G175 PolarHBondContact OG-N 3.12Å; S173-G175 PolarHBondContact OG-O 2.87Å; S173-Y185 PolarHBondContact N-O 3.08Å; S173-Y185 PolarHBondContact O-N 2.91Å; S173-A251 VanDerWaalsContact OG-C 3.3Å; S173-A251 PolarHBondContact OG-O 2.51Å; S173-A251 VanDerWaalsContact OG-O 3.08Å; S173-R255 WeakPolarHBondContact OG-CG 3.28Å |
| 174 | D | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -102 | 8.5 | 168 | 82.4 | -26 | 0 | 0 | 0 | 113.5 | H145 S180 T181 V183 I184 | H145-D174 WeakPolarHBondContact CA-OD1 3.33Å; H145-D174 IonicContact CE1-OD1 3.76Å; H145-D174 IonicContact CG-OD1 3.67Å; H145-D174 IonicContact ND1-OD1 2.69Å; H145-D174 PolarHBondContact ND1-OD1 2.97Å; H145-D174 IonicContact ND1-OD2 3.12Å; D174-S180 WeakPolarHBondContact OD2-CB 3.35Å; D174-S180 PolarHBondContact OD2-OG 2.8Å; D174-T181 PolarHBondContact O-N 3.37Å; D174-T181 PolarHBondContact O-OG1 3.36Å; D174-V183 VanDerWaalsContact CA-O 3.27Å; D174-V183 WeakPolarHBondContact CA-O 3.32Å; D174-I184 HydrophobicContact CB-CD1 3.8Å |
| 175 | G | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 143.8 | 171.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S173 N179 | S173-G175 PolarHBondContact OG-N 3.12Å; S173-G175 PolarHBondContact OG-O 2.87Å; G175-N179 CarbonylContact C-O 3.53Å; G175-N179 VanDerWaalsContact CA-O 3.26Å; G175-N179 WeakPolarHBondContact CA-O 3.25Å |
| 176 | P | 95.9 | Very high | 97 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 7% | 0.065 | 18% | 0.181 | C | C | . | . | trans | -59.9 | 163.3 | 166.6 | -23.4 | 35.1 | 0 | 0 | 0 | 113 | H145 D178 N179 E250 | H145-P176 PolarHBondContact CE1-O 3.26Å; H145-P176 VanDerWaalsContact CE1-O 3.3Å; P176-D178 PolarHBondContact O-N 3Å; P176-N179 VanDerWaalsContact CD-O 3.3Å; P176-N179 WeakPolarHBondContact CD-O 3.41Å; P176-N179 CarbonylContact O-C 2.99Å; P176-N179 PolarHBondContact O-N 2.8Å; P176-E250 HydrophobicContact CG-CG 4.11Å | ||
| 177 | L | 91.6 | Very high | 97 | Very high | 43 Ų | 43 | 31 Ų | 31 | 23% | 0.225 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -26.2 | -174.9 | -76.7 | 175.2 | 0 | 0 | 0 | 115.3 | K122 H145 R255 F301 | K122-L177 VanDerWaalsContact O-CD1 3.23Å; K122-L177 WeakPolarHBondContact O-CD1 3.47Å; H145-L177 PolarHBondContact NE2-O 3.05Å; L177-R255 VanDerWaalsContact CD2-NH1 3.31Å; L177-R255 VanDerWaalsContact CD2-NH2 3.33Å; L177-F301 VanDerWaalsContact O-CE1 3.28Å; L177-F301 WeakPolarHBondContact O-CE1 3.46Å; L177-F301 WeakPolarHBondContact O-CZ 3.13Å |
| 178 | D | 91.8 | Very high | 97.1 | Very high | 133 Ų | 133 | 29.7 Ų | 29.7 | 71% | 0.711 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -1.7 | -175.3 | 56.7 | -24.1 | 0 | 0 | 0 | 112.7 | P176 | P176-D178 PolarHBondContact O-N 3Š|
| 179 | N | 94.3 | Very high | 97.1 | Very high | 83 Ų | 83 | 28.1 Ų | 28.1 | 44% | 0.444 | 15% | 0.154 | S | C | . | . | trans | -145.8 | 88 | -175.4 | -173.4 | 13.9 | 0 | 0 | 0 | 111.6 | G175 P176 | G175-N179 CarbonylContact C-O 3.53Å; G175-N179 VanDerWaalsContact CA-O 3.26Å; G175-N179 WeakPolarHBondContact CA-O 3.25Å; P176-N179 VanDerWaalsContact CD-O 3.3Å; P176-N179 WeakPolarHBondContact CD-O 3.41Å; P176-N179 CarbonylContact O-C 2.99Å; P176-N179 PolarHBondContact O-N 2.8Å | ||
| 180 | S | 96.1 | Very high | 97 | Very high | 16 Ų | 16 | 25 Ų | 25 | 11% | 0.112 | 14% | 0.141 | C | C | . | . | trans | -95.2 | 129.7 | 175.6 | 160.6 | 0 | 0 | 0 | 0 | 111.3 | R141 D174 | R141-S180 PolarHBondContact NH2-O 3.36Å; R141-S180 PolarHBondContact NH2-OG 2.98Å; D174-S180 WeakPolarHBondContact OD2-CB 3.35Å; D174-S180 PolarHBondContact OD2-OG 2.8Å | ||
| 181 | T | 96.4 | Very high | 96.9 | Very high | 47 Ų | 47 | 30.4 Ų | 30.4 | 29% | 0.288 | 17% | 0.168 | S | C | . | . | trans | -97 | -17.5 | 171.7 | 67 | 0 | 0 | 0 | 0 | 112.7 | D174 V183 F247 | D174-T181 PolarHBondContact O-N 3.37Å; D174-T181 PolarHBondContact O-OG1 3.36Å; T181-V183 PolarHBondContact O-N 3.01Å; T181-V183 PolarHBondContact OG1-N 2.88Å; T181-F247 HydrophobicContact CG2-CE1 3.55Å; T181-F247 HydrophobicContact CG2-CZ 3.55Å | ||
| 182 | G | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 77.6 | -5.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R141 Y295 | R141-G182 VanDerWaalsContact NE-CA 3.28Å; G182-Y295 VanDerWaalsContact O-CE1 3.26Å; G182-Y295 WeakPolarHBondContact O-CE1 3.28Å; G182-Y295 PolarHBondContact O-OH 2.87Å |
| 183 | V | 98.1 | Very high | 96.8 | Very high | 29 Ų | 29 | 34.4 Ų | 34.4 | 18% | 0.176 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -82.7 | 121.2 | 172.2 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | D174 T181 Y185 K272 F296 | D174-V183 VanDerWaalsContact CA-O 3.27Å; D174-V183 WeakPolarHBondContact CA-O 3.32Å; T181-V183 PolarHBondContact O-N 3.01Å; T181-V183 PolarHBondContact OG1-N 2.88Å; V183-Y185 HydrophobicContact CB-CE2 4.22Å; V183-Y185 HydrophobicContact CG1-CE1 4.13Å; V183-Y185 HydrophobicContact CG1-CE2 4.22Å; V183-Y185 WeakPolarHBondContact O-CD2 3.5Å; V183-Y185 WeakPolarHBondContact O-CE2 3.35Å; V183-Y185 PolarHBondContact O-N 3.48Å; V183-K272 HydrophobicContact CG1-CB 4.01Å; V183-K272 HydrophobicContact CG1-CD 3.97Å; V183-F296 HydrophobicContact CG2-CE1 3.87Å |
| 184 | I | 98.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 119.2 | -177.6 | -47.6 | -52.4 | 0 | 0 | 0 | 110.3 | A144 V172 D174 F186 L206 L233 K272 M273 | A144-I184 HydrophobicContact CB-CD1 4.02Å; V172-I184 HydrophobicContact CB-CG2 3.64Å; V172-I184 HydrophobicContact CG1-CG2 3.84Å; V172-I184 HydrophobicContact CG2-CG2 4.24Å; D174-I184 HydrophobicContact CB-CD1 3.8Å; I184-F186 HydrophobicContact CB-CE2 4.1Å; I184-F186 HydrophobicContact CB-CZ 4.44Å; I184-F186 HydrophobicContact CG2-CD2 4.47Å; I184-F186 HydrophobicContact CG2-CE2 3.76Å; I184-F186 HydrophobicContact CG2-CZ 3.81Å; I184-F186 WeakPolarHBondContact O-CE2 3.41Å; I184-L206 HydrophobicContact CB-CD2 4.47Å; I184-L206 HydrophobicContact CG1-CD2 4.39Å; I184-L206 HydrophobicContact CG2-CD2 3.79Å; I184-L233 HydrophobicContact CD1-CD1 3.97Å; I184-L233 HydrophobicContact CG1-CD1 3.55Å; I184-K272 VanDerWaalsContact O-CA 3.25Å; I184-K272 WeakPolarHBondContact O-CA 3.26Å; I184-M273 PolarHBondContact O-N 3.35Å |
| 185 | Y | 98.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 152.9 | 173.3 | -60 | -77.7 | 0 | 0 | 0 | 111.7 | V172 S173 V183 V240 E244 F247 A248 A251 M252 M271 K272 | V172-Y185 WeakPolarHBondContact CA-O 3.37Å; S173-Y185 PolarHBondContact N-O 3.08Å; S173-Y185 PolarHBondContact O-N 2.91Å; V183-Y185 HydrophobicContact CB-CE2 4.22Å; V183-Y185 HydrophobicContact CG1-CE1 4.13Å; V183-Y185 HydrophobicContact CG1-CE2 4.22Å; V183-Y185 WeakPolarHBondContact O-CD2 3.5Å; V183-Y185 WeakPolarHBondContact O-CE2 3.35Å; V183-Y185 PolarHBondContact O-N 3.48Å; Y185-V240 HydrophobicContact CD1-CG2 3.94Å; Y185-V240 HydrophobicContact CE1-CG2 4.21Å; Y185-E244 HydrophobicContact CE1-CG 4.15Å; Y185-E244 VanDerWaalsContact CE1-OE1 3.26Å; Y185-E244 WeakPolarHBondContact CE1-OE1 3.23Å; Y185-E244 VanDerWaalsContact CZ-OE1 3.27Å; Y185-E244 PolarHBondContact OH-OE1 2.91Å; Y185-F247 AromaticContact CE2-CD1 3.86Å; Y185-F247 HydrophobicContact CE2-CD1 3.86Å; Y185-F247 AromaticContact CE2-CE1 3.71Å; Y185-F247 HydrophobicContact CE2-CE1 3.71Å; Y185-F247 AromaticContact CZ-CD1 3.9Å; Y185-A248 HydrophobicContact CD1-CB 3.48Å; Y185-A248 VanDerWaalsContact CD1-CB 3.48Å; Y185-A248 HydrophobicContact CE1-CB 3.77Å; Y185-A248 HydrophobicContact CG-CB 4.03Å; Y185-A251 HydrophobicContact CD2-CB 4.12Å; Y185-M252 VanDerWaalsContact C-SD 3.59Å; Y185-M271 CarbonylContact C-O 3.57Å; Y185-M271 WeakPolarHBondContact CA-O 3.16Å; Y185-K272 HydrophobicContact CD1-CB 3.93Å; Y185-K272 HydrophobicContact CE1-CB 4.11Å; Y185-K272 HydrophobicContact CE1-CD 4.33Å |
| 186 | F | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 146.6 | 179.5 | -54.7 | -104.7 | 0 | 0 | 0 | 108.9 | L152 F170 V172 I184 V188 L206 M237 F270 M271 M273 | L152-F186 HydrophobicContact CD1-CE1 4.48Å; L152-F186 HydrophobicContact CD1-CZ 4.5Å; L152-F186 HydrophobicContact CD2-CE1 4.4Å; F170-F186 HydrophobicContact CB-CD1 3.97Å; F170-F186 HydrophobicContact CB-CE1 4.15Å; F170-F186 HydrophobicContact CD1-CD1 4.19Å; F170-F186 HydrophobicContact CG-CD1 4.27Å; V172-F186 HydrophobicContact CG1-CD1 3.71Å; V172-F186 HydrophobicContact CG1-CE1 3.46Å; V172-F186 VanDerWaalsContact CG1-CE1 3.46Å; V172-F186 HydrophobicContact CG1-CZ 4.1Å; I184-F186 HydrophobicContact CB-CE2 4.1Å; I184-F186 HydrophobicContact CB-CZ 4.44Å; I184-F186 HydrophobicContact CG2-CD2 4.47Å; I184-F186 HydrophobicContact CG2-CE2 3.76Å; I184-F186 HydrophobicContact CG2-CZ 3.81Å; I184-F186 WeakPolarHBondContact O-CE2 3.41Å; F186-V188 HydrophobicContact CB-CG1 3.72Å; F186-L206 HydrophobicContact CE1-CD1 4.45Å; F186-L206 HydrophobicContact CE1-CD2 4.3Å; F186-L206 HydrophobicContact CZ-CD2 3.91Å; F186-M237 HydrophobicContact CD1-CE 4.27Å; F186-M237 HydrophobicContact CD2-CE 3.46Å; F186-M237 VanDerWaalsContact CD2-CE 3.46Å; F186-M237 HydrophobicContact CE1-CE 4.17Å; F186-M237 HydrophobicContact CE2-CE 3.35Å; F186-M237 HydrophobicContact CE2-SD 3.97Å; F186-M237 HydrophobicContact CG-CE 3.93Å; F186-M237 HydrophobicContact CZ-CE 3.71Å; F186-M237 HydrophobicContact CZ-SD 4.21Å; F186-F270 WeakPolarHBondContact O-CA 3.43Å; F186-M271 HydrophobicContact CB-CB 4.37Å; F186-M271 PolarHBondContact N-O 3.07Å; F186-M271 PolarHBondContact O-N 2.91Å; F186-M273 HydrophobicContact CE2-CB 4.21Å; F186-M273 HydrophobicContact CZ-CE 4.47Å |
| 187 | Y | 98.5 | Very high | 96.8 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 15% | 0.153 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 108.3 | 171 | -171 | -125.5 | 0 | 0 | 0 | 108.6 | F253 M259 W262 W268 F270 | Y187-F253 HydrophobicContact CD1-CE1 4.02Å; Y187-F253 AromaticContact CE1-CE1 3.89Å; Y187-F253 HydrophobicContact CE1-CE1 3.89Å; Y187-F253 HydrophobicContact CE1-CZ 4.08Å; Y187-F253 HydrophobicContact CE2-CE1 4.4Å; Y187-F253 HydrophobicContact CE2-CZ 4.36Å; Y187-F253 HydrophobicContact CG-CE1 4.3Å; Y187-F253 AromaticContact CZ-CZ 3.91Å; Y187-M259 HydrophobicContact CD1-CB 3.93Å; Y187-M259 HydrophobicContact CD1-CG 4.18Å; Y187-M259 HydrophobicContact CD1-SD 3.97Å; Y187-M259 HydrophobicContact CE1-CB 4.2Å; Y187-M259 HydrophobicContact CG-SD 4.33Å; Y187-W262 AromaticContact CD1-CE3 3.71Å; Y187-W262 HydrophobicContact CD1-CE3 3.71Å; Y187-W262 AromaticContact CD1-CZ3 3.84Å; Y187-W262 HydrophobicContact CD1-CZ3 3.84Å; Y187-W262 AromaticContact CE1-CE3 3.89Å; Y187-W262 HydrophobicContact CE1-CE3 3.89Å; Y187-W262 HydrophobicContact CE1-CZ3 4.48Å; Y187-W268 HydrophobicContact CD1-CB 4.45Å; Y187-W268 HydrophobicContact CD1-CD2 4.39Å; Y187-W268 HydrophobicContact CD1-CE3 4.14Å; Y187-W268 HydrophobicContact CD2-CB 4.22Å; Y187-W268 HydrophobicContact CE1-CB 3.73Å; Y187-W268 AromaticContact CE1-CD2 3.99Å; Y187-W268 HydrophobicContact CE1-CD2 3.99Å; Y187-W268 HydrophobicContact CE1-CE3 4.21Å; Y187-W268 AromaticContact CE1-CG 3.78Å; Y187-W268 HydrophobicContact CE1-CG 3.78Å; Y187-W268 HydrophobicContact CE2-CB 3.46Å; Y187-W268 VanDerWaalsContact CE2-CB 3.46Å; Y187-W268 HydrophobicContact CE2-CG 4.4Å; Y187-W268 AromaticContact CZ-CG 3.71Å; Y187-W268 WeakPolarHBondContact OH-CB 3.49Å; Y187-F270 AromaticContact CD2-CD1 3.66Å; Y187-F270 HydrophobicContact CD2-CD1 3.66Å; Y187-F270 HydrophobicContact CD2-CD2 4.23Å; Y187-F270 AromaticContact CD2-CE1 3.28Å; Y187-F270 HydrophobicContact CD2-CE1 3.28Å; Y187-F270 AromaticContact CD2-CE2 3.91Å; Y187-F270 HydrophobicContact CD2-CE2 3.91Å; Y187-F270 HydrophobicContact CD2-CG 4.12Å; Y187-F270 AromaticContact CD2-CZ 3.41Å; Y187-F270 HydrophobicContact CD2-CZ 3.41Å; Y187-F270 VanDerWaalsContact CD2-CZ 3.41Å; Y187-F270 HydrophobicContact CE2-CD1 4.46Å; Y187-F270 HydrophobicContact CE2-CD2 4.34Å; Y187-F270 AromaticContact CE2-CE1 3.89Å; Y187-F270 HydrophobicContact CE2-CE1 3.89Å; Y187-F270 AromaticContact CE2-CE2 3.75Å; Y187-F270 HydrophobicContact CE2-CE2 3.75Å; Y187-F270 AromaticContact CE2-CZ 3.48Å; Y187-F270 HydrophobicContact CE2-CZ 3.48Å; Y187-F270 VanDerWaalsContact CE2-CZ 3.48Å; Y187-F270 HydrophobicContact CG-CD1 4.4Å; Y187-F270 AromaticContact CG-CE1 3.93Å; Y187-F270 HydrophobicContact CG-CE1 3.93Å; Y187-F270 HydrophobicContact CG-CZ 4.33Å |
| 188 | V | 98.2 | Very high | 97.1 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 165.4 | -162.6 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | F170 F186 V195 W268 F269 M271 | F170-V188 HydrophobicContact CD1-CG1 3.88Å; F170-V188 HydrophobicContact CE1-CB 4.42Å; F170-V188 HydrophobicContact CE1-CG1 3.58Å; F186-V188 HydrophobicContact CB-CG1 3.72Å; V188-V195 HydrophobicContact CB-CG2 3.76Å; V188-V195 HydrophobicContact CG1-CG2 4.48Å; V188-V195 HydrophobicContact CG2-CG2 3.85Å; V188-W268 CarbonylContact O-C 3.57Å; V188-W268 VanDerWaalsContact O-CA 3.26Å; V188-W268 WeakPolarHBondContact O-CA 3.33Å; V188-F269 HydrophobicContact CG2-CD1 4.22Å; V188-F269 HydrophobicContact CG2-CD2 4.28Å; V188-F269 HydrophobicContact CG2-CE1 3.76Å; V188-F269 HydrophobicContact CG2-CE2 3.86Å; V188-F269 HydrophobicContact CG2-CG 4.45Å; V188-F269 HydrophobicContact CG2-CZ 3.57Å; V188-F269 PolarHBondContact N-O 2.98Å; V188-F269 WeakPolarHBondContact O-CD1 3.48Å; V188-F269 PolarHBondContact O-N 2.77Å; V188-M271 HydrophobicContact CG2-CB 4.44Å; V188-M271 HydrophobicContact CG2-CG 3.72Å; V188-M271 HydrophobicContact CG2-SD 3.7Å |
| 189 | T | 97.9 | Very high | 97.4 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | trans | -124.8 | 143.8 | 179.4 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | M191 D192 V195 H266 W268 | T189-M191 HydrophobicContact CG2-CB 4.17Å; T189-M191 PolarHBondContact O-N 2.93Å; T189-M191 VanDerWaalsContact O-N 3.07Å; T189-M191 WeakPolarHBondContact OG1-CB 3.23Å; T189-M191 PolarHBondContact OG1-N 3.3Å; T189-M191 VanDerWaalsContact OG1-N 3.13Å; T189-D192 HydrophobicContact CG2-CB 4.24Å; T189-D192 WeakPolarHBondContact O-CB 3.48Å; T189-D192 PolarHBondContact O-N 3.11Å; T189-D192 VanDerWaalsContact O-N 3.09Å; T189-V195 WeakPolarHBondContact O-CB 3.32Å; T189-V195 VanDerWaalsContact O-CG2 3.31Å; T189-V195 WeakPolarHBondContact O-CG2 3.33Å; T189-H266 WeakPolarHBondContact CB-O 3.39Å; T189-H266 PolarHBondContact OG1-O 3.5Å; T189-W268 HydrophobicContact CG2-CE3 4.18Å; T189-W268 HydrophobicContact CG2-CH2 3.95Å; T189-W268 HydrophobicContact CG2-CZ3 3.71Å | ||
| 190 | P | 96.9 | Very high | 97.5 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -8.8 | 173 | 29.9 | -37.4 | 0 | 0 | 0 | 113.7 | D192 K267 | P190-D192 VanDerWaalsContact C-N 3.31Å; P190-K267 VanDerWaalsContact CD-O 3.25Å; P190-K267 WeakPolarHBondContact CD-O 3.32Å; P190-K267 HydrophobicContact CG-CB 4.28Å |
| 191 | M | 96.8 | Very high | 97.6 | Very high | 127 Ų | 127 | 37.7 Ų | 37.7 | 63% | 0.626 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -16.2 | 174.1 | -61.2 | 178 | 63.9 | 0 | 0 | 113 | T189 H266 | T189-M191 HydrophobicContact CG2-CB 4.17Å; T189-M191 PolarHBondContact O-N 2.93Å; T189-M191 VanDerWaalsContact O-N 3.07Å; T189-M191 WeakPolarHBondContact OG1-CB 3.23Å; T189-M191 PolarHBondContact OG1-N 3.3Å; T189-M191 VanDerWaalsContact OG1-N 3.13Å; M191-H266 HydrophobicContact SD-CB 4.02Å |
| 192 | D | 96.6 | Very high | 97.7 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 23% | 0.225 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -76.3 | 133.3 | 177.8 | -167.5 | -48 | 0 | 0 | 0 | 110.5 | T189 P190 T194 V195 T196 | T189-D192 HydrophobicContact CG2-CB 4.24Å; T189-D192 WeakPolarHBondContact O-CB 3.48Å; T189-D192 PolarHBondContact O-N 3.11Å; T189-D192 VanDerWaalsContact O-N 3.09Å; P190-D192 VanDerWaalsContact C-N 3.31Å; D192-T194 VanDerWaalsContact C-N 3.26Å; D192-T194 PolarHBondContact O-N 2.88Å; D192-T194 VanDerWaalsContact OD1-CB 3.27Å; D192-T194 WeakPolarHBondContact OD1-CB 3.39Å; D192-T194 PolarHBondContact OD1-N 3.09Å; D192-T194 PolarHBondContact OD1-OG1 3.24Å; D192-V195 HydrophobicContact CB-CB 4.26Å; D192-V195 HydrophobicContact CB-CG2 3.99Å; D192-V195 PolarHBondContact O-N 3.1Å; D192-V195 VanDerWaalsContact O-N 3.08Å; D192-T196 PolarHBondContact O-N 3.37Å; D192-T196 PolarHBondContact O-OG1 2.89Å |
| 193 | N | 96.4 | Very high | 97.8 | Very high | 84 Ų | 84 | 43.4 Ų | 43.4 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.5 | -37.5 | 176.9 | -71.7 | -26.3 | 0 | 0 | 0 | 111.8 | Q158 V195 T196 D197 | Q158-N193 HydrophobicContact CG-CB 4.49Å; N193-V195 VanDerWaalsContact C-N 3.31Å; N193-V195 PolarHBondContact O-N 2.9Å; N193-T196 CarbonylContact O-C 3.49Å; N193-T196 WeakPolarHBondContact O-CA 3.28Å; N193-T196 WeakPolarHBondContact O-CB 3.11Å; N193-T196 PolarHBondContact O-N 3.27Å; N193-T196 VanDerWaalsContact O-N 3.12Å; N193-D197 VanDerWaalsContact O-CG 3.23Å; N193-D197 PolarHBondContact O-N 3Å |
| 194 | T | 97.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.7 | -37.2 | 175.6 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | L152 T154 N168 F170 D192 T196 D197 L198 | L152-T194 HydrophobicContact CD2-CG2 3.97Å; T154-T194 HydrophobicContact CG2-CG2 3.56Å; N168-T194 WeakPolarHBondContact CB-OG1 3.28Å; N168-T194 PolarHBondContact ND2-OG1 3.43Å; F170-T194 HydrophobicContact CE2-CG2 3.61Å; F170-T194 HydrophobicContact CZ-CG2 3.85Å; D192-T194 VanDerWaalsContact C-N 3.26Å; D192-T194 PolarHBondContact O-N 2.88Å; D192-T194 VanDerWaalsContact OD1-CB 3.27Å; D192-T194 WeakPolarHBondContact OD1-CB 3.39Å; D192-T194 PolarHBondContact OD1-N 3.09Å; D192-T194 PolarHBondContact OD1-OG1 3.24Å; T194-T196 VanDerWaalsContact C-N 3.31Å; T194-T196 PolarHBondContact O-N 3.39Å; T194-D197 WeakPolarHBondContact O-CB 3.17Å; T194-D197 PolarHBondContact O-N 2.03Å; T194-L198 HydrophobicContact CG2-CD1 4.48Å; T194-L198 VanDerWaalsContact O-CG 3.25Å; T194-L198 WeakPolarHBondContact O-CG 3.01Å; T194-L198 PolarHBondContact O-N 2.96Å |
| 195 | V | 97.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -34 | 174.3 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | V188 T189 D192 N193 L198 K199 F269 | V188-V195 HydrophobicContact CB-CG2 3.76Å; V188-V195 HydrophobicContact CG1-CG2 4.48Å; V188-V195 HydrophobicContact CG2-CG2 3.85Å; T189-V195 WeakPolarHBondContact O-CB 3.32Å; T189-V195 VanDerWaalsContact O-CG2 3.31Å; T189-V195 WeakPolarHBondContact O-CG2 3.33Å; D192-V195 HydrophobicContact CB-CB 4.26Å; D192-V195 HydrophobicContact CB-CG2 3.99Å; D192-V195 PolarHBondContact O-N 3.1Å; D192-V195 VanDerWaalsContact O-N 3.08Å; N193-V195 VanDerWaalsContact C-N 3.31Å; N193-V195 PolarHBondContact O-N 2.9Å; V195-L198 PolarHBondContact O-N 2.8Å; V195-K199 WeakPolarHBondContact O-CG 3.28Å; V195-K199 PolarHBondContact O-N 3.16Å; V195-K199 VanDerWaalsContact O-N 3.14Å; V195-F269 HydrophobicContact CG1-CE1 4.13Å; V195-F269 HydrophobicContact CG1-CZ 3.75Å |
| 196 | T | 97.6 | Very high | 97.8 | Very high | 57 Ų | 57 | 43.8 Ų | 43.8 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.4 | -41.9 | 171.6 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | D192 N193 T194 L198 K199 S200 | D192-T196 PolarHBondContact O-N 3.37Å; D192-T196 PolarHBondContact O-OG1 2.89Å; N193-T196 CarbonylContact O-C 3.49Å; N193-T196 WeakPolarHBondContact O-CA 3.28Å; N193-T196 WeakPolarHBondContact O-CB 3.11Å; N193-T196 PolarHBondContact O-N 3.27Å; N193-T196 VanDerWaalsContact O-N 3.12Å; T194-T196 VanDerWaalsContact C-N 3.31Å; T194-T196 PolarHBondContact O-N 3.39Å; T196-L198 PolarHBondContact O-N 2.88Å; T196-K199 WeakPolarHBondContact O-CB 3.41Å; T196-K199 PolarHBondContact O-N 3.19Å; T196-S200 PolarHBondContact O-N 2.97Å |
| 197 | D | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 173.6 | -64.9 | -16.4 | 0 | 0 | 0 | 111.3 | T154 I155 S156 T157 N193 T194 K199 S200 N201 | T154-D197 PolarHBondContact OG1-OD2 3.01Å; T154-D197 VanDerWaalsContact OG1-OD2 3.13Å; I155-D197 WeakPolarHBondContact O-CB 3.39Å; S156-D197 WeakPolarHBondContact CA-OD1 3.44Å; S156-D197 WeakPolarHBondContact CA-OD2 3.37Å; T157-D197 WeakPolarHBondContact CB-OD1 3.02Å; T157-D197 PolarHBondContact N-OD1 2.62Å; T157-D197 PolarHBondContact OG1-OD1 3.33Å; N193-D197 VanDerWaalsContact O-CG 3.23Å; N193-D197 PolarHBondContact O-N 3Å; T194-D197 WeakPolarHBondContact O-CB 3.17Å; T194-D197 PolarHBondContact O-N 2.03Å; D197-K199 VanDerWaalsContact C-N 3.26Å; D197-K199 PolarHBondContact O-N 3.5Å; D197-S200 PolarHBondContact O-N 3.48Å; D197-N201 PolarHBondContact O-N 3.23Å |
| 198 | L | 98.2 | Very high | 97.8 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 7% | 0.068 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -29.1 | 179.9 | -70.1 | 173.9 | 0 | 0 | 0 | 113.7 | L152 T154 T194 V195 T196 S200 N201 P202 A204 M237 M271 | L152-L198 HydrophobicContact CD2-CD1 4.5Å; T154-L198 HydrophobicContact CG2-CD2 3.6Å; T154-L198 HydrophobicContact CG2-CG 3.94Å; T194-L198 HydrophobicContact CG2-CD1 4.48Å; T194-L198 VanDerWaalsContact O-CG 3.25Å; T194-L198 WeakPolarHBondContact O-CG 3.01Å; T194-L198 PolarHBondContact O-N 2.96Å; V195-L198 PolarHBondContact O-N 2.8Å; T196-L198 PolarHBondContact O-N 2.88Å; L198-S200 VanDerWaalsContact C-N 3.32Å; L198-N201 WeakPolarHBondContact CA-O 3.46Å; L198-N201 CarbonylContact O-C 3.59Å; L198-P202 WeakPolarHBondContact O-CA 3.28Å; L198-A204 HydrophobicContact CD2-CB 3.99Å; L198-M237 HydrophobicContact CD1-CB 4.07Å; L198-M237 HydrophobicContact CD1-CE 4.42Å; L198-M237 HydrophobicContact CD1-CG 3.95Å; L198-M237 HydrophobicContact CD2-CB 3.88Å; L198-M237 HydrophobicContact CD2-CG 3.59Å; L198-M237 HydrophobicContact CG-CB 4.47Å; L198-M237 HydrophobicContact CG-CG 4.4Å; L198-M271 HydrophobicContact CD1-CE 4.34Å; L198-M271 HydrophobicContact CD1-SD 4.34Å |
| 199 | K | 96.9 | Very high | 97.7 | Very high | 145 Ų | 145 | 44.7 Ų | 44.7 | 63% | 0.63 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -67.9 | -33.2 | 173.5 | -73.2 | 171.6 | -177.8 | 172.9 | 0 | 112.3 | V195 T196 D197 | V195-K199 WeakPolarHBondContact O-CG 3.28Å; V195-K199 PolarHBondContact O-N 3.16Å; V195-K199 VanDerWaalsContact O-N 3.14Å; T196-K199 WeakPolarHBondContact O-CB 3.41Å; T196-K199 PolarHBondContact O-N 3.19Å; D197-K199 VanDerWaalsContact C-N 3.26Å; D197-K199 PolarHBondContact O-N 3.5Å |
| 200 | S | 97.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 45.1 Ų | 45.1 | 65% | 0.65 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -83.4 | -37.6 | 176.9 | -173.5 | 0 | 0 | 0 | 0 | 112 | T196 D197 L198 | T196-S200 PolarHBondContact O-N 2.97Å; D197-S200 PolarHBondContact O-N 3.48Å; L198-S200 VanDerWaalsContact C-N 3.32Å |
| 201 | N | 98.1 | Very high | 97.5 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | trans | -142.4 | 106 | 179.2 | -178.7 | -5.9 | 0 | 0 | 0 | 109.2 | D197 L198 Y203 | D197-N201 PolarHBondContact O-N 3.23Å; L198-N201 WeakPolarHBondContact CA-O 3.46Å; L198-N201 CarbonylContact O-C 3.59Å; N201-Y203 PolarHBondContact O-N 3.11Å; N201-Y203 VanDerWaalsContact OD1-CD2 3.29Å; N201-Y203 WeakPolarHBondContact OD1-CD2 3.3Å; N201-Y203 PolarHBondContact OD1-N 2.89Å; N201-Y203 VanDerWaalsContact OD1-N 3.13Å | ||
| 202 | P | 98.4 | Very high | 97.2 | Very high | 38 Ų | 38 | 42 Ų | 42 | 25% | 0.247 | 23% | 0.229 | C | C | . | . | trans | -77.5 | -0.3 | -173.2 | 33.5 | -37.4 | 0 | 0 | 0 | 113.5 | L198 K236 M237 | L198-P202 WeakPolarHBondContact O-CA 3.28Å; P202-K236 HydrophobicContact CB-CG 3.86Å; P202-K236 HydrophobicContact CG-CD 4.44Å; P202-K236 HydrophobicContact CG-CG 4.05Å; P202-K236 CarbonylContact O-C 3.55Å; P202-K236 WeakPolarHBondContact O-CA 3.1Å; P202-M237 PolarHBondContact O-N 2.88Å | ||
| 203 | Y | 98.7 | Very high | 96.9 | Very high | 130 Ų | 130 | 41.7 Ų | 41.7 | 51% | 0.51 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 132.3 | 179.4 | -63.1 | -77.2 | 0 | 0 | 0 | 111.4 | N201 G235 K236 I276 | N201-Y203 PolarHBondContact O-N 3.11Å; N201-Y203 VanDerWaalsContact OD1-CD2 3.29Å; N201-Y203 WeakPolarHBondContact OD1-CD2 3.3Å; N201-Y203 PolarHBondContact OD1-N 2.89Å; N201-Y203 VanDerWaalsContact OD1-N 3.13Å; Y203-G235 WeakPolarHBondContact CA-O 3.45Å; Y203-K236 HydrophobicContact CD1-CB 4.28Å; Y203-K236 HydrophobicContact CE1-CB 4.2Å; Y203-I276 HydrophobicContact CD1-CD1 3.84Å; Y203-I276 HydrophobicContact CE1-CD1 3.67Å |
| 204 | A | 98.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 160.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L152 A153 T154 L198 G235 M237 M273 | L152-A204 HydrophobicContact CD1-CB 3.81Å; L152-A204 HydrophobicContact CG-CB 4.32Å; A153-A204 VanDerWaalsContact O-CA 3.3Å; A153-A204 WeakPolarHBondContact O-CA 3.36Å; A153-A204 WeakPolarHBondContact O-CB 3.32Å; T154-A204 HydrophobicContact CG2-CB 4.1Å; L198-A204 HydrophobicContact CD2-CB 3.99Å; A204-G235 PolarHBondContact N-O 3.05Å; A204-G235 PolarHBondContact O-N 3.01Å; A204-M237 HydrophobicContact CB-CG 3.97Å; A204-M273 HydrophobicContact CB-CE 4.42Å |
| 205 | S | 98.7 | Very high | 96.4 | Very high | 37 Ų | 37 | 43.8 Ų | 43.8 | 26% | 0.259 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.8 | 171.8 | -62.6 | 0 | 0 | 0 | 0 | 109.8 | A153 L233 T234 | A153-S205 PolarHBondContact N-O 2.82Å; A153-S205 PolarHBondContact O-N 2.88Å; A153-S205 VanDerWaalsContact O-N 3.16Å; S205-L233 CarbonylContact C-O 3.32Å; S205-L233 VanDerWaalsContact CA-O 3.31Å; S205-L233 WeakPolarHBondContact CA-O 3.36Å; S205-T234 WeakPolarHBondContact OG-CG2 3.33Å; S205-T234 PolarHBondContact OG-OG1 2.79Å |
| 206 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.6 | 174.1 | 179 | 68 | 0 | 0 | 0 | 109.3 | H151 L152 V172 I184 F186 F208 T232 L233 M273 | H151-L206 WeakPolarHBondContact O-CA 3.5Å; L152-L206 HydrophobicContact CB-CD1 4.21Å; L152-L206 HydrophobicContact CD1-CB 3.96Å; L152-L206 HydrophobicContact CD1-CD1 4.27Å; V172-L206 HydrophobicContact CG1-CD2 4.18Å; I184-L206 HydrophobicContact CB-CD2 4.47Å; I184-L206 HydrophobicContact CG1-CD2 4.39Å; I184-L206 HydrophobicContact CG2-CD2 3.79Å; F186-L206 HydrophobicContact CE1-CD1 4.45Å; F186-L206 HydrophobicContact CE1-CD2 4.3Å; F186-L206 HydrophobicContact CZ-CD2 3.91Å; L206-F208 HydrophobicContact CD2-CE1 4.02Å; L206-F208 HydrophobicContact CD2-CE2 3.61Å; L206-F208 HydrophobicContact CD2-CZ 3.25Å; L206-F208 HydrophobicContact CG-CE1 4.33Å; L206-F208 HydrophobicContact CG-CE2 3.98Å; L206-F208 HydrophobicContact CG-CZ 3.86Å; L206-T232 CarbonylContact O-C 3.54Å; L206-T232 WeakPolarHBondContact O-CA 3.34Å; L206-L233 PolarHBondContact N-O 2.77Å; L206-L233 PolarHBondContact O-N 3.09Å; L206-M273 HydrophobicContact CB-CE 3.85Å |
| 207 | T | 98.7 | Very high | 96 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.1 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | H151 L231 T232 | H151-T207 PolarHBondContact N-O 3.13Å; H151-T207 PolarHBondContact O-N 3.26Å; T207-L231 CarbonylContact C-O 3.51Å; T207-L231 VanDerWaalsContact CA-O 3.28Å; T207-L231 WeakPolarHBondContact CA-O 3.22Å; T207-T232 WeakPolarHBondContact CG2-OG1 3.42Å; T207-T232 PolarHBondContact OG1-OG1 2.63Å |
| 208 | F | 98.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 149.1 | 171.9 | -57.3 | -74.4 | 0 | 0 | 0 | 110.1 | I143 W149 V172 L206 R230 L231 L233 | I143-F208 HydrophobicContact CG2-CB 3.6Å; I143-F208 HydrophobicContact CG2-CG 4.31Å; W149-F208 WeakPolarHBondContact O-CD1 3.39Å; W149-F208 VanDerWaalsContact O-CE1 3.32Å; W149-F208 WeakPolarHBondContact O-CE1 3.21Å; V172-F208 HydrophobicContact CG2-CE1 3.58Å; V172-F208 HydrophobicContact CG2-CZ 3.86Å; L206-F208 HydrophobicContact CD2-CE1 4.02Å; L206-F208 HydrophobicContact CD2-CE2 3.61Å; L206-F208 HydrophobicContact CD2-CZ 3.25Å; L206-F208 HydrophobicContact CG-CE1 4.33Å; L206-F208 HydrophobicContact CG-CE2 3.98Å; L206-F208 HydrophobicContact CG-CZ 3.86Å; F208-R230 WeakPolarHBondContact O-CA 3.29Å; F208-L231 HydrophobicContact CB-CB 4.38Å; F208-L231 HydrophobicContact CD2-CB 4.3Å; F208-L231 HydrophobicContact CD2-CD2 3.91Å; F208-L231 HydrophobicContact CD2-CG 4.2Å; F208-L231 HydrophobicContact CE2-CD2 4.4Å; F208-L231 PolarHBondContact N-O 3.11Å; F208-L231 PolarHBondContact O-N 3.02Å; F208-L231 VanDerWaalsContact O-N 3.09Å; F208-L233 HydrophobicContact CE2-CD1 3.9Å; F208-L233 HydrophobicContact CE2-CG 4.41Å |
| 209 | S | 95.8 | Very high | 95.6 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131.3 | 172 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | A211 E212 | S209-A211 PolarHBondContact O-N 3.29Å; S209-A211 VanDerWaalsContact OG-CB 3.28Å; S209-A211 WeakPolarHBondContact OG-CB 3.27Å; S209-A211 PolarHBondContact OG-N 2.92Å; S209-E212 WeakPolarHBondContact O-CB 3.32Å; S209-E212 VanDerWaalsContact O-CG 3.32Å; S209-E212 WeakPolarHBondContact O-CG 3.39Å; S209-E212 PolarHBondContact O-N 2.8Å |
| 210 | E | 94.8 | Very high | 95.6 | Very high | 21 Ų | 21 | 58.7 Ų | 58.7 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -63.2 | -11.6 | 171.5 | -70.4 | -166 | 122.6 | 0 | 0 | 113.2 | P130 I143 E212 G213 F215 A229 | P130-E210 WeakPolarHBondContact CG-OE1 3.33Å; I143-E210 HydrophobicContact CD1-CG 4.26Å; I143-E210 HydrophobicContact CG1-CG 3.99Å; E210-E212 PolarHBondContact O-N 3.46Å; E210-G213 PolarHBondContact O-N 2.84Å; E210-F215 HydrophobicContact CB-CD1 4.36Å; E210-A229 HydrophobicContact CG-CB 4.05Å; E210-A229 PolarHBondContact N-O 2.97Å; E210-A229 WeakPolarHBondContact OE2-CB 3.43Å; E210-A229 PolarHBondContact OE2-N 2.84Å |
| 211 | A | 95 | Very high | 95.5 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 31% | 0.306 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -66.2 | -19.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | S209 G213 C216 P223 C228 | S209-A211 PolarHBondContact O-N 3.29Å; S209-A211 VanDerWaalsContact OG-CB 3.28Å; S209-A211 WeakPolarHBondContact OG-CB 3.27Å; S209-A211 PolarHBondContact OG-N 2.92Å; A211-G213 VanDerWaalsContact C-N 3.27Å; A211-C216 PolarHBondContact N-SG 3.45Å; A211-P223 HydrophobicContact CB-CB 3.75Å; A211-P223 HydrophobicContact CB-CG 3.97Å; A211-C228 PolarHBondContact N-SG 3.01Å |
| 212 | E | 92.2 | Very high | 95.5 | Very high | 67 Ų | 67 | 58.9 Ų | 58.9 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -69.8 | -29.4 | 174.2 | -61.6 | 175.5 | -167.2 | 0 | 0 | 111.6 | W149 S209 E210 | W149-E212 VanDerWaalsContact CE2-CD 3.49Å; W149-E212 HydrophobicContact CH2-CG 3.66Å; W149-E212 VanDerWaalsContact CH2-OE1 3.28Å; W149-E212 WeakPolarHBondContact CH2-OE1 3.45Å; W149-E212 HydrophobicContact CZ2-CB 3.98Å; W149-E212 HydrophobicContact CZ2-CG 3.37Å; W149-E212 WeakPolarHBondContact CZ2-OE2 3.42Å; W149-E212 WeakPolarHBondContact CZ3-OE1 3.46Å; W149-E212 PolarHBondContact NE1-OE2 2.85Å; S209-E212 WeakPolarHBondContact O-CB 3.32Å; S209-E212 VanDerWaalsContact O-CG 3.32Å; S209-E212 WeakPolarHBondContact O-CG 3.39Å; S209-E212 PolarHBondContact O-N 2.8Å; E210-E212 PolarHBondContact O-N 3.46Å |
| 213 | G | 89.3 | Confident | 95.4 | Very high | 35 Ų | 35 | 60.4 Ų | 60.4 | 36% | 0.361 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -85.3 | -171.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E210 A211 | E210-G213 PolarHBondContact O-N 2.84Å; A211-G213 VanDerWaalsContact C-N 3.27Å |
| 214 | D | 90.8 | Very high | 95.2 | Very high | 73 Ų | 73 | 61.4 Ų | 61.4 | 39% | 0.39 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -87.7 | -10.6 | 177.9 | -66.3 | -24.9 | 0 | 0 | 0 | 113 | R217 Q218 | D214-R217 PolarHBondContact O-N 3.22Å; D214-R217 IonicContact OD1-CZ 3.91Å; D214-R217 IonicContact OD1-NH1 3.75Å; D214-R217 PolarHBondContact OD1-NH1 3.03Å; D214-R217 IonicContact OD1-NH2 3.15Å; D214-R217 PolarHBondContact OD1-NH2 2.81Å; D214-R217 IonicContact OD2-NH2 2.87Å; D214-Q218 HydrophobicContact CB-CG 4.49Å; D214-Q218 WeakPolarHBondContact O-CB 3.41Å; D214-Q218 VanDerWaalsContact O-CG 3.22Å; D214-Q218 WeakPolarHBondContact O-CG 3.33Å; D214-Q218 PolarHBondContact O-N 3.42Å |
| 215 | F | 91.9 | Very high | 95.1 | Very high | 55 Ų | 55 | 62.8 Ų | 62.8 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.7 | -58.9 | -171 | 175 | -106.4 | 0 | 0 | 0 | 112.3 | P130 E210 R217 Q218 M219 | P130-F215 HydrophobicContact CG-CD1 4.07Å; P130-F215 HydrophobicContact CG-CD2 3.63Å; P130-F215 HydrophobicContact CG-CE1 4.03Å; P130-F215 HydrophobicContact CG-CE2 3.58Å; P130-F215 HydrophobicContact CG-CG 3.88Å; P130-F215 HydrophobicContact CG-CZ 3.79Å; E210-F215 HydrophobicContact CB-CD1 4.36Å; F215-R217 PolarHBondContact O-N 3.02Å; F215-Q218 PolarHBondContact O-N 2.99Å; F215-Q218 VanDerWaalsContact O-N 3.11Å; F215-M219 HydrophobicContact CD2-CG 4.15Å; F215-M219 HydrophobicContact CE1-CG 4.42Å; F215-M219 HydrophobicContact CE2-CG 3.76Å; F215-M219 HydrophobicContact CE2-SD 4.44Å; F215-M219 HydrophobicContact CZ-CG 3.91Å; F215-M219 WeakPolarHBondContact O-CG 3.25Å; F215-M219 PolarHBondContact O-N 2.98Å |
| 216 | C | 94.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.02 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.9 | -35 | -177.8 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | A211 M219 V220 Y221 C228 | A211-C216 PolarHBondContact N-SG 3.45Å; C216-M219 PolarHBondContact O-N 2.96Å; C216-V220 PolarHBondContact O-N 3.11Å; C216-Y221 PolarHBondContact O-N 3.46Å; C216-C228 HydrophobicContact CB-CB 3.83Å; C216-C228 WeakPolarHBondContact CB-SG 3.23Å; C216-C228 WeakPolarHBondContact SG-CA 3.26Å; C216-C228 WeakPolarHBondContact SG-CB 3.35Å; C216-C228 CovalentContact SG-SG 2.03Å; C216-C228 PolarHBondContact SG-SG 2.91Å |
| 217 | R | 94 | Very high | 94.7 | Very high | 169 Ų | 169 | 66.9 Ų | 66.9 | 64% | 0.638 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.8 | -43 | 175.7 | -170.7 | 173 | 72.9 | -120.1 | 4 | 112.3 | D214 F215 M219 V220 | D214-R217 PolarHBondContact O-N 3.22Å; D214-R217 IonicContact OD1-CZ 3.91Å; D214-R217 IonicContact OD1-NH1 3.75Å; D214-R217 PolarHBondContact OD1-NH1 3.03Å; D214-R217 IonicContact OD1-NH2 3.15Å; D214-R217 PolarHBondContact OD1-NH2 2.81Å; D214-R217 IonicContact OD2-NH2 2.87Å; F215-R217 PolarHBondContact O-N 3.02Å; R217-M219 VanDerWaalsContact C-N 3.31Å; R217-V220 PolarHBondContact O-N 3.15Å |
| 218 | Q | 94.3 | Very high | 94.6 | Very high | 141 Ų | 141 | 64.9 Ų | 64.9 | 66% | 0.659 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.1 | -35.4 | 177.1 | -73.6 | 173.6 | 21 | 0 | 0 | 111.9 | D214 F215 V220 | D214-Q218 HydrophobicContact CB-CG 4.49Å; D214-Q218 WeakPolarHBondContact O-CB 3.41Å; D214-Q218 VanDerWaalsContact O-CG 3.22Å; D214-Q218 WeakPolarHBondContact O-CG 3.33Å; D214-Q218 PolarHBondContact O-N 3.42Å; F215-Q218 PolarHBondContact O-N 2.99Å; F215-Q218 VanDerWaalsContact O-N 3.11Å; Q218-V220 VanDerWaalsContact C-N 3.29Å |
| 219 | M | 93.9 | Very high | 94.5 | Very high | 88 Ų | 88 | 64.9 Ų | 64.9 | 43% | 0.433 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -82 | -6 | 177.3 | -61.9 | -55.3 | -66.7 | 0 | 0 | 113.7 | F215 C216 R217 Y221 | F215-M219 HydrophobicContact CD2-CG 4.15Å; F215-M219 HydrophobicContact CE1-CG 4.42Å; F215-M219 HydrophobicContact CE2-CG 3.76Å; F215-M219 HydrophobicContact CE2-SD 4.44Å; F215-M219 HydrophobicContact CZ-CG 3.91Å; F215-M219 WeakPolarHBondContact O-CG 3.25Å; F215-M219 PolarHBondContact O-N 2.98Å; C216-M219 PolarHBondContact O-N 2.96Å; R217-M219 VanDerWaalsContact C-N 3.31Å; M219-Y221 HydrophobicContact CB-CD1 4.1Å; M219-Y221 HydrophobicContact CB-CD2 3.57Å; M219-Y221 HydrophobicContact CB-CE1 4.04Å; M219-Y221 HydrophobicContact CB-CE2 3.51Å; M219-Y221 HydrophobicContact CB-CG 3.88Å; M219-Y221 HydrophobicContact CE-CE2 4.42Å; M219-Y221 HydrophobicContact CG-CD2 4.37Å; M219-Y221 HydrophobicContact CG-CE2 4.03Å; M219-Y221 WeakPolarHBondContact O-CD1 3.38Å; M219-Y221 PolarHBondContact O-N 3.06Å |
| 220 | V | 95.9 | Very high | 94.6 | Very high | 130 Ų | 130 | 67.7 Ų | 67.7 | 79% | 0.788 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 40.8 | -175.7 | -160 | 0 | 0 | 0 | 0 | 111.3 | C216 R217 Q218 | C216-V220 PolarHBondContact O-N 3.11Å; R217-V220 PolarHBondContact O-N 3.15Å; Q218-V220 VanDerWaalsContact C-N 3.29Å |
| 221 | Y | 96.1 | Very high | 94.7 | Very high | 42 Ų | 42 | 66.7 Ų | 66.7 | 17% | 0.165 | 34% | 0.338 | C | S | . | . | trans | -92.8 | 135.4 | 172.6 | -63 | -20.7 | 0 | 0 | 0 | 109.7 | C216 M219 R227 | C216-Y221 PolarHBondContact O-N 3.46Å; M219-Y221 HydrophobicContact CB-CD1 4.1Å; M219-Y221 HydrophobicContact CB-CD2 3.57Å; M219-Y221 HydrophobicContact CB-CE1 4.04Å; M219-Y221 HydrophobicContact CB-CE2 3.51Å; M219-Y221 HydrophobicContact CB-CG 3.88Å; M219-Y221 HydrophobicContact CE-CE2 4.42Å; M219-Y221 HydrophobicContact CG-CD2 4.37Å; M219-Y221 HydrophobicContact CG-CE2 4.03Å; M219-Y221 WeakPolarHBondContact O-CD1 3.38Å; M219-Y221 PolarHBondContact O-N 3.06Å; Y221-R227 HydrophobicContact CD2-CB 3.78Å; Y221-R227 VanDerWaalsContact CE1-NH1 3.34Å; Y221-R227 HydrophobicContact CE2-CB 3.44Å; Y221-R227 VanDerWaalsContact CE2-CB 3.44Å; Y221-R227 HydrophobicContact CG-CB 4.47Å | ||
| 222 | D | 96.9 | Very high | 94.9 | Very high | 101 Ų | 101 | 66.1 Ų | 66.1 | 54% | 0.54 | 33% | 0.331 | S | S | . | . | trans | -63.7 | 145.5 | 163.8 | -175.3 | -92.2 | 0 | 0 | 0 | 109.1 | E224 D225 | D222-E224 PolarHBondContact O-N 3.43Å; D222-E224 VanDerWaalsContact O-N 3.09Å; D222-E224 WeakPolarHBondContact OD1-CB 3.49Å; D222-E224 PolarHBondContact OD1-N 3.3Å; D222-D225 WeakPolarHBondContact O-CB 3.48Å; D222-D225 PolarHBondContact O-N 3.21Å | ||
| 223 | P | 96 | Very high | 95.2 | Very high | 71 Ų | 71 | 63 Ų | 63 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -22.9 | 177.5 | -28.4 | 37.3 | 0 | 0 | 0 | 115.2 | A211 | A211-P223 HydrophobicContact CB-CB 3.75Å; A211-P223 HydrophobicContact CB-CG 3.97Å |
| 224 | E | 95.4 | Very high | 95.7 | Very high | 151 Ų | 151 | 63 Ų | 63 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -11.1 | 175.3 | -163.9 | 172.6 | -177 | 0 | 0 | 113.2 | D222 P226 | D222-E224 PolarHBondContact O-N 3.43Å; D222-E224 VanDerWaalsContact O-N 3.09Å; D222-E224 WeakPolarHBondContact OD1-CB 3.49Å; D222-E224 PolarHBondContact OD1-N 3.3Å; E224-P226 WeakPolarHBondContact O-CD 3.43Å |
| 225 | D | 96.2 | Very high | 96 | Very high | 34 Ų | 34 | 59.6 Ų | 59.6 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -57.7 | 127.2 | 174.3 | -169.2 | -57.6 | 0 | 0 | 0 | 109.4 | D222 R227 C228 | D222-D225 WeakPolarHBondContact O-CB 3.48Å; D222-D225 PolarHBondContact O-N 3.21Å; D225-R227 PolarHBondContact O-N 2.69Å; D225-R227 WeakPolarHBondContact OD1-CB 3.32Å; D225-R227 WeakPolarHBondContact OD1-CG 3.49Å; D225-R227 IonicContact OD1-CZ 3.73Å; D225-R227 PolarHBondContact OD1-N 2.88Å; D225-R227 IonicContact OD1-NE 2.86Å; D225-R227 PolarHBondContact OD1-NE 2.97Å; D225-R227 IonicContact OD1-NH2 2.95Å; D225-R227 IonicContact OD2-CZ 2.68Å; D225-R227 IonicContact OD2-NE 3.49Å; D225-R227 PolarHBondContact OD2-NE 2.93Å; D225-R227 IonicContact OD2-NH2 2.62Å; D225-R227 PolarHBondContact OD2-NH2 2.83Å; D225-C228 WeakPolarHBondContact O-CA 3.19Å; D225-C228 WeakPolarHBondContact O-CB 3.37Å; D225-C228 PolarHBondContact O-N 3.44Å |
| 226 | P | 95.5 | Very high | 96.4 | Very high | 44 Ų | 44 | 61 Ų | 61 | 29% | 0.286 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -21.3 | -178.7 | -29.5 | 35.6 | 0 | 0 | 0 | 115.4 | E224 D282 W283 I284 | E224-P226 WeakPolarHBondContact O-CD 3.43Å; P226-D282 CarbonylContact O-C 3.58Å; P226-D282 WeakPolarHBondContact O-CA 3.44Å; P226-W283 PolarHBondContact O-N 3.18Å; P226-I284 HydrophobicContact CB-CG1 4.31Å |
| 227 | R | 94.6 | Very high | 96.6 | Very high | 78 Ų | 78 | 61.3 Ų | 61.3 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -12.1 | 177.8 | -57.3 | 170.4 | -70 | 172.7 | -1.6 | 113.1 | Y221 D225 W283 I284 | Y221-R227 HydrophobicContact CD2-CB 3.78Å; Y221-R227 VanDerWaalsContact CE1-NH1 3.34Å; Y221-R227 HydrophobicContact CE2-CB 3.44Å; Y221-R227 VanDerWaalsContact CE2-CB 3.44Å; Y221-R227 HydrophobicContact CG-CB 4.47Å; D225-R227 PolarHBondContact O-N 2.69Å; D225-R227 WeakPolarHBondContact OD1-CB 3.32Å; D225-R227 WeakPolarHBondContact OD1-CG 3.49Å; D225-R227 IonicContact OD1-CZ 3.73Å; D225-R227 PolarHBondContact OD1-N 2.88Å; D225-R227 IonicContact OD1-NE 2.86Å; D225-R227 PolarHBondContact OD1-NE 2.97Å; D225-R227 IonicContact OD1-NH2 2.95Å; D225-R227 IonicContact OD2-CZ 2.68Å; D225-R227 IonicContact OD2-NE 3.49Å; D225-R227 PolarHBondContact OD2-NE 2.93Å; D225-R227 IonicContact OD2-NH2 2.62Å; D225-R227 PolarHBondContact OD2-NH2 2.83Å; R227-W283 HydrophobicContact CB-CZ3 4.43Å; R227-W283 HydrophobicContact CG-CE3 3.9Å; R227-W283 HydrophobicContact CG-CH2 4.45Å; R227-W283 HydrophobicContact CG-CZ3 3.84Å; R227-I284 HydrophobicContact CG-CG1 4.34Å |
| 228 | C | 95.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -88.4 | 96.6 | 164 | -176 | 0 | 0 | 0 | 0 | 107.3 | A211 C216 D225 | A211-C228 PolarHBondContact N-SG 3.01Å; C216-C228 HydrophobicContact CB-CB 3.83Å; C216-C228 WeakPolarHBondContact CB-SG 3.23Å; C216-C228 WeakPolarHBondContact SG-CA 3.26Å; C216-C228 WeakPolarHBondContact SG-CB 3.35Å; C216-C228 CovalentContact SG-SG 2.03Å; C216-C228 PolarHBondContact SG-SG 2.91Å; D225-C228 WeakPolarHBondContact O-CA 3.19Å; D225-C228 WeakPolarHBondContact O-CB 3.37Å; D225-C228 PolarHBondContact O-N 3.44Å |
| 229 | A | 96.2 | Very high | 97 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | trans | -68.6 | 147.8 | -162.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I143 E210 Q281 D282 | I143-A229 HydrophobicContact CD1-CB 3.6Å; E210-A229 HydrophobicContact CG-CB 4.05Å; E210-A229 PolarHBondContact N-O 2.97Å; E210-A229 WeakPolarHBondContact OE2-CB 3.43Å; E210-A229 PolarHBondContact OE2-N 2.84Å; A229-Q281 CarbonylContact C-O 3.49Å; A229-Q281 WeakPolarHBondContact CA-O 3.31Å; A229-D282 HydrophobicContact CB-CB 3.7Å | ||
| 230 | R | 96.7 | Very high | 97.2 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 130.7 | 175.7 | -63.4 | -179.8 | -66.6 | 138.3 | -3.9 | 109.5 | F208 W279 Q281 | F208-R230 WeakPolarHBondContact O-CA 3.29Å; R230-W279 HydrophobicContact CB-CZ3 4.49Å; R230-Q281 PolarHBondContact N-O 2.84Å; R230-Q281 PolarHBondContact O-N 2.83Å |
| 231 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.9 | 178.3 | 174.3 | 66 | 0 | 0 | 0 | 108.5 | A140 I143 A144 T207 F208 L233 V278 L280 | A140-L231 HydrophobicContact CB-CD1 3.74Å; A140-L231 HydrophobicContact CB-CD2 4.39Å; A140-L231 WeakPolarHBondContact O-CD2 3.11Å; I143-L231 HydrophobicContact CB-CB 4.26Å; I143-L231 HydrophobicContact CB-CD2 4.11Å; I143-L231 HydrophobicContact CD1-CB 4.23Å; I143-L231 HydrophobicContact CG2-CB 3.79Å; I143-L231 HydrophobicContact CG2-CD2 4.13Å; A144-L231 HydrophobicContact CB-CD2 3.97Å; T207-L231 CarbonylContact C-O 3.51Å; T207-L231 VanDerWaalsContact CA-O 3.28Å; T207-L231 WeakPolarHBondContact CA-O 3.22Å; F208-L231 HydrophobicContact CB-CB 4.38Å; F208-L231 HydrophobicContact CD2-CB 4.3Å; F208-L231 HydrophobicContact CD2-CD2 3.91Å; F208-L231 HydrophobicContact CD2-CG 4.2Å; F208-L231 HydrophobicContact CE2-CD2 4.4Å; F208-L231 PolarHBondContact N-O 3.11Å; F208-L231 PolarHBondContact O-N 3.02Å; F208-L231 VanDerWaalsContact O-N 3.09Å; L231-L233 HydrophobicContact CD1-CD2 3.85Å; L231-L233 HydrophobicContact CD2-CD2 4.16Å; L231-L233 HydrophobicContact CD2-CG 4.27Å; L231-L233 HydrophobicContact CG-CD2 4Å; L231-L233 HydrophobicContact CG-CG 4.15Å; L231-V278 HydrophobicContact CD1-CG1 3.8Å; L231-L280 HydrophobicContact CB-CD1 4.42Å; L231-L280 HydrophobicContact CD1-CD1 4.4Å |
| 232 | T | 98.8 | Very high | 97.3 | Very high | 26 Ų | 26 | 49.4 Ų | 49.4 | 16% | 0.16 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.7 | 170.7 | -60.5 | 0 | 0 | 0 | 0 | 109.5 | L206 T207 W279 | L206-T232 CarbonylContact O-C 3.54Å; L206-T232 WeakPolarHBondContact O-CA 3.34Å; T207-T232 WeakPolarHBondContact CG2-OG1 3.42Å; T207-T232 PolarHBondContact OG1-OG1 2.63Å; T232-W279 PolarHBondContact N-O 3.13Å; T232-W279 PolarHBondContact O-N 2.89Å |
| 233 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.1 | 174.1 | -59.2 | -176.8 | 0 | 0 | 0 | 108.4 | I184 S205 L206 F208 L231 M273 L275 V278 Y295 | I184-L233 HydrophobicContact CD1-CD1 3.97Å; I184-L233 HydrophobicContact CG1-CD1 3.55Å; S205-L233 CarbonylContact C-O 3.32Å; S205-L233 VanDerWaalsContact CA-O 3.31Å; S205-L233 WeakPolarHBondContact CA-O 3.36Å; L206-L233 PolarHBondContact N-O 2.77Å; L206-L233 PolarHBondContact O-N 3.09Å; F208-L233 HydrophobicContact CE2-CD1 3.9Å; F208-L233 HydrophobicContact CE2-CG 4.41Å; L231-L233 HydrophobicContact CD1-CD2 3.85Å; L231-L233 HydrophobicContact CD2-CD2 4.16Å; L231-L233 HydrophobicContact CD2-CG 4.27Å; L231-L233 HydrophobicContact CG-CD2 4Å; L231-L233 HydrophobicContact CG-CG 4.15Å; L233-M273 HydrophobicContact CB-SD 4.1Å; L233-L275 HydrophobicContact CB-CD2 3.79Å; L233-L275 HydrophobicContact CD1-CD2 4.25Å; L233-L275 HydrophobicContact CD2-CD1 4.49Å; L233-L275 HydrophobicContact CD2-CD2 4.33Å; L233-L275 HydrophobicContact CG-CD2 4.35Å; L233-V278 HydrophobicContact CD2-CB 4.27Å; L233-V278 HydrophobicContact CD2-CG1 3.92Å; L233-V278 HydrophobicContact CD2-CG2 3.89Å; L233-Y295 HydrophobicContact CD2-CE2 4.44Å |
| 234 | T | 98.8 | Very high | 97.4 | Very high | 37 Ų | 37 | 50.8 Ų | 50.8 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 132.7 | 176.8 | -60.8 | 0 | 0 | 0 | 0 | 109.3 | S205 I276 Q277 | S205-T234 WeakPolarHBondContact OG-CG2 3.33Å; S205-T234 PolarHBondContact OG-OG1 2.79Å; T234-I276 WeakPolarHBondContact O-CA 3.29Å; T234-I276 WeakPolarHBondContact O-CB 3.23Å; T234-I276 PolarHBondContact O-N 3.35Å; T234-Q277 PolarHBondContact N-O 2.91Å; T234-Q277 PolarHBondContact O-N 3.41Å |
| 235 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | -173.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y203 A204 D274 | Y203-G235 WeakPolarHBondContact CA-O 3.45Å; A204-G235 PolarHBondContact N-O 3.05Å; A204-G235 PolarHBondContact O-N 3.01Å; G235-D274 CarbonylContact C-O 3.44Å; G235-D274 WeakPolarHBondContact CA-O 3.18Å |
| 236 | K | 98.6 | Very high | 97.6 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126.3 | 172.8 | -174.1 | -174.3 | 176 | -173.2 | 0 | 109.2 | P202 Y203 V238 D274 | P202-K236 HydrophobicContact CB-CG 3.86Å; P202-K236 HydrophobicContact CG-CD 4.44Å; P202-K236 HydrophobicContact CG-CG 4.05Å; P202-K236 CarbonylContact O-C 3.55Å; P202-K236 WeakPolarHBondContact O-CA 3.1Å; Y203-K236 HydrophobicContact CD1-CB 4.28Å; Y203-K236 HydrophobicContact CE1-CB 4.2Å; K236-V238 HydrophobicContact CD-CG1 4.18Å; K236-V238 HydrophobicContact CG-CG1 4.19Å; K236-D274 HydrophobicContact CB-CB 4.5Å; K236-D274 PolarHBondContact N-O 2.76Å; K236-D274 PolarHBondContact O-N 3.35Å |
| 237 | M | 98.5 | Very high | 97.7 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.039 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 127.6 | 173.2 | -62.8 | -59.7 | -72.2 | 0 | 0 | 109.9 | F186 L198 P202 A204 M271 K272 M273 | F186-M237 HydrophobicContact CD1-CE 4.27Å; F186-M237 HydrophobicContact CD2-CE 3.46Å; F186-M237 VanDerWaalsContact CD2-CE 3.46Å; F186-M237 HydrophobicContact CE1-CE 4.17Å; F186-M237 HydrophobicContact CE2-CE 3.35Å; F186-M237 HydrophobicContact CE2-SD 3.97Å; F186-M237 HydrophobicContact CG-CE 3.93Å; F186-M237 HydrophobicContact CZ-CE 3.71Å; F186-M237 HydrophobicContact CZ-SD 4.21Å; L198-M237 HydrophobicContact CD1-CB 4.07Å; L198-M237 HydrophobicContact CD1-CE 4.42Å; L198-M237 HydrophobicContact CD1-CG 3.95Å; L198-M237 HydrophobicContact CD2-CB 3.88Å; L198-M237 HydrophobicContact CD2-CG 3.59Å; L198-M237 HydrophobicContact CG-CB 4.47Å; L198-M237 HydrophobicContact CG-CG 4.4Å; P202-M237 PolarHBondContact O-N 2.88Å; A204-M237 HydrophobicContact CB-CG 3.97Å; M237-M271 HydrophobicContact CB-CE 3.78Å; M237-M271 HydrophobicContact CE-CB 4.26Å; M237-K272 WeakPolarHBondContact CA-O 3.41Å; M237-M273 HydrophobicContact SD-CB 3.74Å; M237-M273 HydrophobicContact SD-CE 3.55Å; M237-M273 VanDerWaalsContact SD-CE 3.55Å; M237-M273 HydrophobicContact SD-CG 4.01Å |
| 238 | V | 98.3 | Very high | 97.9 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 19% | 0.194 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 150.6 | 179.3 | -60.8 | 0 | 0 | 0 | 0 | 110.4 | K236 M271 K272 | K236-V238 HydrophobicContact CD-CG1 4.18Å; K236-V238 HydrophobicContact CG-CG1 4.19Å; V238-M271 CarbonylContact O-C 3.51Å; V238-M271 VanDerWaalsContact O-CA 3.23Å; V238-M271 WeakPolarHBondContact O-CA 3.45Å; V238-M271 WeakPolarHBondContact O-CB 3.31Å; V238-K272 HydrophobicContact CG2-CD 4.38Å; V238-K272 HydrophobicContact CG2-CG 3.61Å; V238-K272 PolarHBondContact N-O 3.24Å; V238-K272 PolarHBondContact O-N 2.77Å |
| 239 | E | 98.3 | Very high | 98 | Very high | 137 Ų | 137 | 50.7 Ų | 50.7 | 64% | 0.64 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 140.4 | 169.7 | -173.6 | 170.9 | 173.3 | 0 | 0 | 109.8 | F269 | E239-F269 HydrophobicContact CG-CD2 4.13Å |
| 240 | V | 98.3 | Very high | 98.1 | Very high | 8 Ų | 8 | 56.1 Ų | 56.1 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 131.7 | 179.4 | 177 | 0 | 0 | 0 | 0 | 109.6 | Y185 E244 A248 F270 K272 | Y185-V240 HydrophobicContact CD1-CG2 3.94Å; Y185-V240 HydrophobicContact CE1-CG2 4.21Å; V240-E244 HydrophobicContact CG1-CB 3.72Å; V240-E244 HydrophobicContact CG1-CG 3.86Å; V240-A248 HydrophobicContact CG1-CB 4Å; V240-A248 HydrophobicContact CG2-CB 4.23Å; V240-F270 HydrophobicContact CB-CB 3.99Å; V240-F270 HydrophobicContact CG2-CB 3.8Å; V240-F270 PolarHBondContact N-O 3.34Å; V240-K272 HydrophobicContact CG2-CB 4.05Å; V240-K272 HydrophobicContact CG2-CD 4.49Å; V240-K272 HydrophobicContact CG2-CG 4.21Å |
| 241 | A | 97.8 | Very high | 98.1 | Very high | 31 Ų | 31 | 52.3 Ų | 52.3 | 26% | 0.256 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 152.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E243 E244 L245 | A241-E243 HydrophobicContact CB-CG 4.25Å; A241-E243 VanDerWaalsContact CB-OE1 3.29Å; A241-E243 WeakPolarHBondContact CB-OE1 3.4Å; A241-E243 WeakPolarHBondContact CB-OE2 3.31Å; A241-E243 PolarHBondContact O-N 3.42Å; A241-E243 VanDerWaalsContact O-N 3.11Å; A241-E244 PolarHBondContact O-N 3.48Å; A241-L245 PolarHBondContact O-N 3Å; A241-L245 VanDerWaalsContact O-N 3.15Å |
| 242 | P | 97 | Very high | 98.1 | Very high | 113 Ų | 113 | 52.3 Ų | 52.3 | 73% | 0.734 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -34.7 | -176.4 | -27.7 | 35.6 | 0 | 0 | 0 | 114.7 | E244 | P242-E244 VanDerWaalsContact C-N 3.29Å; P242-E244 PolarHBondContact O-N 3.37Å |
| 243 | E | 97.2 | Very high | 98 | Very high | 161 Ų | 161 | 53 Ų | 53 | 75% | 0.752 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -25.9 | 178.4 | 59.8 | -89.3 | -154.6 | 0 | 0 | 114 | A241 | A241-E243 HydrophobicContact CB-CG 4.25Å; A241-E243 VanDerWaalsContact CB-OE1 3.29Å; A241-E243 WeakPolarHBondContact CB-OE1 3.4Å; A241-E243 WeakPolarHBondContact CB-OE2 3.31Å; A241-E243 PolarHBondContact O-N 3.42Å; A241-E243 VanDerWaalsContact O-N 3.11Å |
| 244 | E | 97.4 | Very high | 98 | Very high | 39 Ų | 39 | 55.6 Ų | 55.6 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -12.3 | -176.5 | -174.9 | 178.6 | -173.3 | 0 | 0 | 112.2 | Y185 V240 A241 P242 A246 F247 A248 K272 | Y185-E244 HydrophobicContact CE1-CG 4.15Å; Y185-E244 VanDerWaalsContact CE1-OE1 3.26Å; Y185-E244 WeakPolarHBondContact CE1-OE1 3.23Å; Y185-E244 VanDerWaalsContact CZ-OE1 3.27Å; Y185-E244 PolarHBondContact OH-OE1 2.91Å; V240-E244 HydrophobicContact CG1-CB 3.72Å; V240-E244 HydrophobicContact CG1-CG 3.86Å; A241-E244 PolarHBondContact O-N 3.48Å; P242-E244 VanDerWaalsContact C-N 3.29Å; P242-E244 PolarHBondContact O-N 3.37Å; E244-A246 VanDerWaalsContact C-N 3.28Å; E244-A246 PolarHBondContact O-N 3.42Å; E244-F247 PolarHBondContact O-N 2.97Å; E244-A248 PolarHBondContact O-N 2.81Å; E244-K272 IonicContact OE1-NZ 3.44Å; E244-K272 PolarHBondContact OE1-NZ 3.46Å; E244-K272 IonicContact OE2-NZ 3.48Å; E244-K272 PolarHBondContact OE2-NZ 2.95Å |
| 245 | L | 97.6 | Very high | 97.9 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 40% | 0.398 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -57.5 | -38.6 | -174.4 | -165.5 | 156.6 | 0 | 0 | 0 | 112.8 | A241 F247 A248 K249 F270 | A241-L245 PolarHBondContact O-N 3Å; A241-L245 VanDerWaalsContact O-N 3.15Å; L245-F247 VanDerWaalsContact C-N 3.34Å; L245-F247 PolarHBondContact O-N 3.21Å; L245-A248 PolarHBondContact O-N 3.34Å; L245-K249 WeakPolarHBondContact O-CB 3.4Å; L245-K249 PolarHBondContact O-N 3.18Å; L245-F270 HydrophobicContact CD2-CD2 4.37Å; L245-F270 HydrophobicContact CD2-CE2 4.39Å; L245-F270 HydrophobicContact CG-CD2 4.21Å |
| 246 | A | 97.9 | Very high | 97.8 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 63% | 0.628 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60.4 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | E244 E250 | E244-A246 VanDerWaalsContact C-N 3.28Å; E244-A246 PolarHBondContact O-N 3.42Å; A246-E250 PolarHBondContact O-N 2.9Å; A246-E250 VanDerWaalsContact O-N 3.1Å |
| 247 | F | 98.1 | Very high | 97.8 | Very high | 46 Ų | 46 | 55.3 Ų | 55.3 | 20% | 0.202 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.2 | -44.7 | 177.9 | -176.7 | -99 | 0 | 0 | 0 | 111.6 | T181 Y185 E244 L245 K249 E250 A251 | T181-F247 HydrophobicContact CG2-CE1 3.55Å; T181-F247 HydrophobicContact CG2-CZ 3.55Å; Y185-F247 AromaticContact CE2-CD1 3.86Å; Y185-F247 HydrophobicContact CE2-CD1 3.86Å; Y185-F247 AromaticContact CE2-CE1 3.71Å; Y185-F247 HydrophobicContact CE2-CE1 3.71Å; Y185-F247 AromaticContact CZ-CD1 3.9Å; E244-F247 PolarHBondContact O-N 2.97Å; L245-F247 VanDerWaalsContact C-N 3.34Å; L245-F247 PolarHBondContact O-N 3.21Å; F247-K249 VanDerWaalsContact C-N 3.26Å; F247-K249 PolarHBondContact O-N 2.91Å; F247-E250 PolarHBondContact O-N 2.74Å; F247-E250 VanDerWaalsContact O-N 3.11Å; F247-A251 HydrophobicContact CE1-CB 4.4Å; F247-A251 WeakPolarHBondContact O-CB 3.27Å; F247-A251 PolarHBondContact O-N 2.93Å |
| 248 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y185 V240 E244 L245 M252 F270 | Y185-A248 HydrophobicContact CD1-CB 3.48Å; Y185-A248 VanDerWaalsContact CD1-CB 3.48Å; Y185-A248 HydrophobicContact CE1-CB 3.77Å; Y185-A248 HydrophobicContact CG-CB 4.03Å; V240-A248 HydrophobicContact CG1-CB 4Å; V240-A248 HydrophobicContact CG2-CB 4.23Å; E244-A248 PolarHBondContact O-N 2.81Å; L245-A248 PolarHBondContact O-N 3.34Å; A248-M252 WeakPolarHBondContact O-CB 3.38Å; A248-M252 WeakPolarHBondContact O-CG 3.35Å; A248-M252 PolarHBondContact O-N 2.83Å; A248-F270 HydrophobicContact CB-CB 4.26Å; A248-F270 HydrophobicContact CB-CD1 4.2Å; A248-F270 HydrophobicContact CB-CG 4.24Å |
| 249 | K | 98 | Very high | 97.7 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 47% | 0.465 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.6 | -45.8 | 174.7 | -178.3 | 179.5 | 179.5 | -178.8 | 0 | 112 | L245 F247 F253 F270 | L245-K249 WeakPolarHBondContact O-CB 3.4Å; L245-K249 PolarHBondContact O-N 3.18Å; F247-K249 VanDerWaalsContact C-N 3.26Å; F247-K249 PolarHBondContact O-N 2.91Å; K249-F253 HydrophobicContact CD-CE2 4.33Å; K249-F253 HydrophobicContact CG-CD2 3.82Å; K249-F253 HydrophobicContact CG-CE2 3.87Å; K249-F253 HydrophobicContact CG-CG 4.35Å; K249-F253 HydrophobicContact CG-CZ 4.42Å; K249-F253 VanDerWaalsContact O-CB 3.28Å; K249-F253 WeakPolarHBondContact O-CB 3.44Å; K249-F253 WeakPolarHBondContact O-CG 3.48Å; K249-F253 PolarHBondContact O-N 3.23Å; K249-F270 HydrophobicContact CB-CE1 4.37Å; K249-F270 HydrophobicContact CB-CE2 4.03Å; K249-F270 HydrophobicContact CB-CZ 3.73Å; K249-F270 HydrophobicContact CG-CE2 4.41Å; K249-F270 HydrophobicContact CG-CZ 3.96Å |
| 250 | E | 97.9 | Very high | 97.6 | Very high | 116 Ų | 116 | 54.7 Ų | 54.7 | 54% | 0.542 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.8 | -48 | 177.5 | -175.4 | -178.6 | -177.3 | 0 | 0 | 111.7 | P176 A246 F247 M252 S254 | P176-E250 HydrophobicContact CG-CG 4.11Å; A246-E250 PolarHBondContact O-N 2.9Å; A246-E250 VanDerWaalsContact O-N 3.1Å; F247-E250 PolarHBondContact O-N 2.74Å; F247-E250 VanDerWaalsContact O-N 3.11Å; E250-M252 PolarHBondContact O-N 3.37Å; E250-S254 WeakPolarHBondContact O-CB 3.39Å; E250-S254 PolarHBondContact O-N 2.68Å; E250-S254 PolarHBondContact O-OG 3.3Å |
| 251 | A | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -54.8 | -55.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | S173 Y185 F247 S254 R255 | S173-A251 VanDerWaalsContact OG-C 3.3Å; S173-A251 PolarHBondContact OG-O 2.51Å; S173-A251 VanDerWaalsContact OG-O 3.08Å; Y185-A251 HydrophobicContact CD2-CB 4.12Å; F247-A251 HydrophobicContact CE1-CB 4.4Å; F247-A251 WeakPolarHBondContact O-CB 3.27Å; F247-A251 PolarHBondContact O-N 2.93Å; A251-S254 PolarHBondContact O-OG 3.3Å; A251-R255 PolarHBondContact O-N 2.93Å |
| 252 | M | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.3 | -49.1 | -179.2 | -71.2 | -56 | -61.5 | 0 | 0 | 112.7 | Y185 A248 E250 S254 R255 H256 M259 F270 | Y185-M252 VanDerWaalsContact C-SD 3.59Å; A248-M252 WeakPolarHBondContact O-CB 3.38Å; A248-M252 WeakPolarHBondContact O-CG 3.35Å; A248-M252 PolarHBondContact O-N 2.83Å; E250-M252 PolarHBondContact O-N 3.37Å; M252-S254 PolarHBondContact O-N 3.49Å; M252-R255 PolarHBondContact O-N 2.98Å; M252-H256 WeakPolarHBondContact O-CA 3.5Å; M252-H256 WeakPolarHBondContact O-CB 3.3Å; M252-H256 PolarHBondContact O-N 2.97Å; M252-M259 HydrophobicContact CE-CE 3.67Å; M252-M259 HydrophobicContact CE-SD 3.66Å; M252-F270 HydrophobicContact CB-CE1 3.98Å; M252-F270 HydrophobicContact CG-CD1 4.12Å; M252-F270 HydrophobicContact CG-CE1 3.97Å |
| 253 | F | 97.9 | Very high | 97.4 | Very high | 41 Ų | 41 | 62.5 Ų | 62.5 | 18% | 0.18 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -77.8 | -21.9 | -172.7 | -68.4 | 1.8 | 0 | 0 | 0 | 113 | Y187 K249 H256 P257 M259 F270 | Y187-F253 HydrophobicContact CD1-CE1 4.02Å; Y187-F253 AromaticContact CE1-CE1 3.89Å; Y187-F253 HydrophobicContact CE1-CE1 3.89Å; Y187-F253 HydrophobicContact CE1-CZ 4.08Å; Y187-F253 HydrophobicContact CE2-CE1 4.4Å; Y187-F253 HydrophobicContact CE2-CZ 4.36Å; Y187-F253 HydrophobicContact CG-CE1 4.3Å; Y187-F253 AromaticContact CZ-CZ 3.91Å; K249-F253 HydrophobicContact CD-CE2 4.33Å; K249-F253 HydrophobicContact CG-CD2 3.82Å; K249-F253 HydrophobicContact CG-CE2 3.87Å; K249-F253 HydrophobicContact CG-CG 4.35Å; K249-F253 HydrophobicContact CG-CZ 4.42Å; K249-F253 VanDerWaalsContact O-CB 3.28Å; K249-F253 WeakPolarHBondContact O-CB 3.44Å; K249-F253 WeakPolarHBondContact O-CG 3.48Å; K249-F253 PolarHBondContact O-N 3.23Å; F253-H256 CarbonylContact O-C 3.57Å; F253-P257 VanDerWaalsContact O-CA 3.28Å; F253-P257 WeakPolarHBondContact O-CA 3.29Å; F253-M259 HydrophobicContact CD1-CB 3.78Å; F253-M259 HydrophobicContact CE1-CB 3.6Å; F253-F270 HydrophobicContact CE1-CE1 4.39Å; F253-F270 HydrophobicContact CE1-CZ 4.11Å; F253-F270 HydrophobicContact CZ-CZ 4.18Å |
| 254 | S | 97.2 | Very high | 97.2 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.9 | -33.4 | 172 | 69.2 | 0 | 0 | 0 | 0 | 112.6 | E250 A251 M252 | E250-S254 WeakPolarHBondContact O-CB 3.39Å; E250-S254 PolarHBondContact O-N 2.68Å; E250-S254 PolarHBondContact O-OG 3.3Å; A251-S254 PolarHBondContact O-OG 3.3Å; M252-S254 PolarHBondContact O-N 3.49Å |
| 255 | R | 97 | Very high | 97.1 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 11% | 0.106 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -80.5 | -40.9 | 172.8 | -68.4 | -92.1 | 57.3 | 63.8 | 5.3 | 112 | D148 S173 L177 A251 M252 P257 | D148-R255 WeakPolarHBondContact OD1-CD 3.42Å; D148-R255 IonicContact OD1-NE 3.79Å; D148-R255 PolarHBondContact OD1-NE 2.9Å; D148-R255 VanDerWaalsContact OD1-NE 3.12Å; S173-R255 WeakPolarHBondContact OG-CG 3.28Å; L177-R255 VanDerWaalsContact CD2-NH1 3.31Å; L177-R255 VanDerWaalsContact CD2-NH2 3.33Å; A251-R255 PolarHBondContact O-N 2.93Å; M252-R255 PolarHBondContact O-N 2.98Å; R255-P257 WeakPolarHBondContact O-CD 3.39Å |
| 256 | H | 97.9 | Very high | 97 | Very high | 23 Ų | 23 | 62.5 Ų | 62.5 | 11% | 0.106 | 35% | 0.354 | C | S | . | . | trans | -123.5 | 71.2 | -171.6 | -58 | -76.7 | 0 | 0 | 0 | 111.6 | D148 V172 M252 F253 V258 M259 | D148-H256 PolarHBondContact O-CE1 2.82Å; D148-H256 PolarHBondContact O-NE2 2.72Å; V172-H256 PolarHBondContact O-NE2 2.52Å; M252-H256 WeakPolarHBondContact O-CA 3.5Å; M252-H256 WeakPolarHBondContact O-CB 3.3Å; M252-H256 PolarHBondContact O-N 2.97Å; F253-H256 CarbonylContact O-C 3.57Å; H256-V258 PolarHBondContact O-N 3.18Å; H256-V258 VanDerWaalsContact O-N 3.07Å; H256-M259 HydrophobicContact CB-CE 3.64Å; H256-M259 HydrophobicContact CB-CG 3.74Å; H256-M259 HydrophobicContact CB-SD 3.53Å; H256-M259 VanDerWaalsContact CB-SD 3.53Å; H256-M259 WeakPolarHBondContact O-CB 3.26Å; H256-M259 PolarHBondContact O-N 3.2Å | ||
| 257 | P | 97.6 | Very high | 97 | Very high | 66 Ų | 66 | 66.5 Ų | 66.5 | 43% | 0.429 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -60.7 | -27.1 | -171.8 | 22.6 | -33.9 | 0 | 0 | 0 | 113.7 | F253 R255 M259 S260 | F253-P257 VanDerWaalsContact O-CA 3.28Å; F253-P257 WeakPolarHBondContact O-CA 3.29Å; R255-P257 WeakPolarHBondContact O-CD 3.39Å; P257-M259 PolarHBondContact O-N 3.26Å; P257-S260 PolarHBondContact O-N 3.09Å; P257-S260 PolarHBondContact O-OG 2.77Å |
| 258 | V | 97.1 | Very high | 97 | Very high | 89 Ų | 89 | 67 Ų | 67 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -63.5 | -27.1 | 177.5 | 70.7 | 0 | 0 | 0 | 0 | 113 | H256 S260 K261 W262 | H256-V258 PolarHBondContact O-N 3.18Å; H256-V258 VanDerWaalsContact O-N 3.07Å; V258-S260 PolarHBondContact O-N 2.78Å; V258-K261 PolarHBondContact O-N 2.88Å; V258-W262 VanDerWaalsContact O-CD1 3.29Å |
| 259 | M | 97.4 | Very high | 97 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.015 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -61.9 | -28.2 | -179.4 | -70.2 | -177.8 | 178 | 0 | 0 | 112.9 | Y187 M252 F253 H256 P257 K261 W262 | Y187-M259 HydrophobicContact CD1-CB 3.93Å; Y187-M259 HydrophobicContact CD1-CG 4.18Å; Y187-M259 HydrophobicContact CD1-SD 3.97Å; Y187-M259 HydrophobicContact CE1-CB 4.2Å; Y187-M259 HydrophobicContact CG-SD 4.33Å; M252-M259 HydrophobicContact CE-CE 3.67Å; M252-M259 HydrophobicContact CE-SD 3.66Å; F253-M259 HydrophobicContact CD1-CB 3.78Å; F253-M259 HydrophobicContact CE1-CB 3.6Å; H256-M259 HydrophobicContact CB-CE 3.64Å; H256-M259 HydrophobicContact CB-CG 3.74Å; H256-M259 HydrophobicContact CB-SD 3.53Å; H256-M259 VanDerWaalsContact CB-SD 3.53Å; H256-M259 WeakPolarHBondContact O-CB 3.26Å; H256-M259 PolarHBondContact O-N 3.2Å; P257-M259 PolarHBondContact O-N 3.26Å; M259-K261 PolarHBondContact O-N 2.9Å; M259-W262 HydrophobicContact CB-CD2 4.2Å; M259-W262 HydrophobicContact CB-CE3 4.31Å; M259-W262 HydrophobicContact CE-CH2 3.67Å; M259-W262 HydrophobicContact CE-CZ2 4.21Å; M259-W262 HydrophobicContact CE-CZ3 4.22Å; M259-W262 HydrophobicContact CG-CD2 4.04Å; M259-W262 HydrophobicContact CG-CE3 4.03Å; M259-W262 HydrophobicContact CG-CH2 3.69Å; M259-W262 HydrophobicContact CG-CZ2 3.64Å; M259-W262 HydrophobicContact CG-CZ3 3.86Å; M259-W262 WeakPolarHBondContact O-CB 3.38Å; M259-W262 PolarHBondContact O-N 2.99Å; M259-W262 HydrophobicContact SD-CH2 4.25Å; M259-W262 HydrophobicContact SD-CZ3 4.34Å |
| 260 | S | 95.4 | Very high | 97 | Very high | 72 Ų | 72 | 64.9 Ų | 64.9 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -62.9 | -20.2 | 175.5 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | P257 V258 | P257-S260 PolarHBondContact O-N 3.09Å; P257-S260 PolarHBondContact O-OG 2.77Å; V258-S260 PolarHBondContact O-N 2.78Å |
| 261 | K | 96.5 | Very high | 97 | Very high | 168 Ų | 168 | 60.2 Ų | 60.2 | 73% | 0.73 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -105.5 | 4.2 | -178.2 | -60 | 176.3 | -176.9 | 171.6 | 0 | 112.6 | V258 M259 | V258-K261 PolarHBondContact O-N 2.88Å; M259-K261 PolarHBondContact O-N 2.9Å |
| 262 | W | 96.5 | Very high | 97.1 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 29% | 0.288 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -66 | 153.2 | -179.7 | -74.9 | 0.1 | 0 | 0 | 0 | 112.1 | Y187 V258 M259 V264 W268 | Y187-W262 AromaticContact CD1-CE3 3.71Å; Y187-W262 HydrophobicContact CD1-CE3 3.71Å; Y187-W262 AromaticContact CD1-CZ3 3.84Å; Y187-W262 HydrophobicContact CD1-CZ3 3.84Å; Y187-W262 AromaticContact CE1-CE3 3.89Å; Y187-W262 HydrophobicContact CE1-CE3 3.89Å; Y187-W262 HydrophobicContact CE1-CZ3 4.48Å; V258-W262 VanDerWaalsContact O-CD1 3.29Å; M259-W262 HydrophobicContact CB-CD2 4.2Å; M259-W262 HydrophobicContact CB-CE3 4.31Å; M259-W262 HydrophobicContact CE-CH2 3.67Å; M259-W262 HydrophobicContact CE-CZ2 4.21Å; M259-W262 HydrophobicContact CE-CZ3 4.22Å; M259-W262 HydrophobicContact CG-CD2 4.04Å; M259-W262 HydrophobicContact CG-CE3 4.03Å; M259-W262 HydrophobicContact CG-CH2 3.69Å; M259-W262 HydrophobicContact CG-CZ2 3.64Å; M259-W262 HydrophobicContact CG-CZ3 3.86Å; M259-W262 WeakPolarHBondContact O-CB 3.38Å; M259-W262 PolarHBondContact O-N 2.99Å; M259-W262 HydrophobicContact SD-CH2 4.25Å; M259-W262 HydrophobicContact SD-CZ3 4.34Å; W262-V264 PolarHBondContact O-N 3.28Å; W262-W268 HydrophobicContact CB-CZ2 4.05Å; W262-W268 HydrophobicContact CD2-CH2 4.12Å; W262-W268 HydrophobicContact CD2-CZ2 4Å; W262-W268 AromaticContact CE3-CD2 3.89Å; W262-W268 HydrophobicContact CE3-CD2 3.89Å; W262-W268 AromaticContact CE3-CE2 3.73Å; W262-W268 AromaticContact CE3-CE3 3.71Å; W262-W268 HydrophobicContact CE3-CE3 3.71Å; W262-W268 AromaticContact CE3-CH2 3.29Å; W262-W268 HydrophobicContact CE3-CH2 3.29Å; W262-W268 AromaticContact CE3-CZ2 3.46Å; W262-W268 HydrophobicContact CE3-CZ2 3.46Å; W262-W268 VanDerWaalsContact CE3-CZ2 3.46Å; W262-W268 AromaticContact CE3-CZ3 3.42Å; W262-W268 HydrophobicContact CE3-CZ3 3.42Å; W262-W268 VanDerWaalsContact CE3-CZ3 3.42Å; W262-W268 HydrophobicContact CG-CZ2 4.31Å; W262-W268 HydrophobicContact CH2-CH2 4.43Å; W262-W268 HydrophobicContact CH2-CZ3 4.44Å; W262-W268 AromaticContact CZ3-CE3 3.87Å; W262-W268 HydrophobicContact CZ3-CE3 3.87Å; W262-W268 AromaticContact CZ3-CH2 3.49Å; W262-W268 HydrophobicContact CZ3-CH2 3.49Å; W262-W268 VanDerWaalsContact CZ3-CH2 3.49Å; W262-W268 HydrophobicContact CZ3-CZ2 4.15Å; W262-W268 AromaticContact CZ3-CZ3 3.32Å; W262-W268 HydrophobicContact CZ3-CZ3 3.32Å |
| 263 | P | 96.4 | Very high | 97.1 | Very high | 72 Ų | 72 | 62.2 Ų | 62.2 | 47% | 0.468 | 34% | 0.336 | S | S | . | . | trans | -59.9 | 121.9 | -173.7 | -24.2 | 34.1 | 0 | 0 | 0 | 112.4 | G265 H266 W268 | P263-G265 PolarHBondContact O-N 2.81Å; P263-H266 PolarHBondContact O-N 2.8Å; P263-W268 PolarHBondContact O-NE1 2.89Å | ||
| 264 | V | 93.3 | Very high | 97.1 | Very high | 137 Ų | 137 | 63.7 Ų | 63.7 | 83% | 0.83 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -61.1 | -31 | -177.7 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | W262 H266 K267 | W262-V264 PolarHBondContact O-N 3.28Å; V264-H266 PolarHBondContact O-N 3.46Å; V264-H266 VanDerWaalsContact O-N 3.09Å; V264-K267 PolarHBondContact O-N 3.05Å |
| 265 | G | 95.5 | Very high | 97.2 | Very high | 67 Ų | 67 | 62 Ų | 62 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -61.1 | -18.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P263 K267 | P263-G265 PolarHBondContact O-N 2.81Å; G265-K267 PolarHBondContact O-N 3.27Å |
| 266 | H | 96.1 | Very high | 97.3 | Very high | 71 Ų | 71 | 65.3 Ų | 65.3 | 33% | 0.329 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -81.1 | -0 | -179 | -63.4 | -172 | 0 | 0 | 0 | 113.5 | T189 M191 P263 V264 W268 | T189-H266 WeakPolarHBondContact CB-O 3.39Å; T189-H266 PolarHBondContact OG1-O 3.5Å; M191-H266 HydrophobicContact SD-CB 4.02Å; P263-H266 PolarHBondContact O-N 2.8Å; V264-H266 PolarHBondContact O-N 3.46Å; V264-H266 VanDerWaalsContact O-N 3.09Å; H266-W268 HydrophobicContact CB-CD2 4.45Å; H266-W268 HydrophobicContact CB-CZ2 4.04Å; H266-W268 AromaticContact ND1-CZ2 3.65Å; H266-W268 PolarHBondContact O-N 3.28Å |
| 267 | K | 97.2 | Very high | 97.3 | Very high | 160 Ų | 160 | 68.2 Ų | 68.2 | 70% | 0.696 | 37% | 0.365 | S | S | * | . | trans | 54.8 | 52.3 | 174.9 | -55.9 | 177.7 | -178.4 | 177.2 | 0 | 112.7 | P190 V264 G265 | P190-K267 VanDerWaalsContact CD-O 3.25Å; P190-K267 WeakPolarHBondContact CD-O 3.32Å; P190-K267 HydrophobicContact CG-CB 4.28Å; V264-K267 PolarHBondContact O-N 3.05Å; G265-K267 PolarHBondContact O-N 3.27Å | ||
| 268 | W | 97.9 | Very high | 97.4 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | trans | -63.9 | 144 | 179.4 | -56.9 | 97.1 | 0 | 0 | 0 | 112.4 | Y187 V188 T189 W262 P263 H266 | Y187-W268 HydrophobicContact CD1-CB 4.45Å; Y187-W268 HydrophobicContact CD1-CD2 4.39Å; Y187-W268 HydrophobicContact CD1-CE3 4.14Å; Y187-W268 HydrophobicContact CD2-CB 4.22Å; Y187-W268 HydrophobicContact CE1-CB 3.73Å; Y187-W268 AromaticContact CE1-CD2 3.99Å; Y187-W268 HydrophobicContact CE1-CD2 3.99Å; Y187-W268 HydrophobicContact CE1-CE3 4.21Å; Y187-W268 AromaticContact CE1-CG 3.78Å; Y187-W268 HydrophobicContact CE1-CG 3.78Å; Y187-W268 HydrophobicContact CE2-CB 3.46Å; Y187-W268 VanDerWaalsContact CE2-CB 3.46Å; Y187-W268 HydrophobicContact CE2-CG 4.4Å; Y187-W268 AromaticContact CZ-CG 3.71Å; Y187-W268 WeakPolarHBondContact OH-CB 3.49Å; V188-W268 CarbonylContact O-C 3.57Å; V188-W268 VanDerWaalsContact O-CA 3.26Å; V188-W268 WeakPolarHBondContact O-CA 3.33Å; T189-W268 HydrophobicContact CG2-CE3 4.18Å; T189-W268 HydrophobicContact CG2-CH2 3.95Å; T189-W268 HydrophobicContact CG2-CZ3 3.71Å; W262-W268 HydrophobicContact CB-CZ2 4.05Å; W262-W268 HydrophobicContact CD2-CH2 4.12Å; W262-W268 HydrophobicContact CD2-CZ2 4Å; W262-W268 AromaticContact CE3-CD2 3.89Å; W262-W268 HydrophobicContact CE3-CD2 3.89Å; W262-W268 AromaticContact CE3-CE2 3.73Å; W262-W268 AromaticContact CE3-CE3 3.71Å; W262-W268 HydrophobicContact CE3-CE3 3.71Å; W262-W268 AromaticContact CE3-CH2 3.29Å; W262-W268 HydrophobicContact CE3-CH2 3.29Å; W262-W268 AromaticContact CE3-CZ2 3.46Å; W262-W268 HydrophobicContact CE3-CZ2 3.46Å; W262-W268 VanDerWaalsContact CE3-CZ2 3.46Å; W262-W268 AromaticContact CE3-CZ3 3.42Å; W262-W268 HydrophobicContact CE3-CZ3 3.42Å; W262-W268 VanDerWaalsContact CE3-CZ3 3.42Å; W262-W268 HydrophobicContact CG-CZ2 4.31Å; W262-W268 HydrophobicContact CH2-CH2 4.43Å; W262-W268 HydrophobicContact CH2-CZ3 4.44Å; W262-W268 AromaticContact CZ3-CE3 3.87Å; W262-W268 HydrophobicContact CZ3-CE3 3.87Å; W262-W268 AromaticContact CZ3-CH2 3.49Å; W262-W268 HydrophobicContact CZ3-CH2 3.49Å; W262-W268 VanDerWaalsContact CZ3-CH2 3.49Å; W262-W268 HydrophobicContact CZ3-CZ2 4.15Å; W262-W268 AromaticContact CZ3-CZ3 3.32Å; W262-W268 HydrophobicContact CZ3-CZ3 3.32Å; P263-W268 PolarHBondContact O-NE1 2.89Å; H266-W268 HydrophobicContact CB-CD2 4.45Å; H266-W268 HydrophobicContact CB-CZ2 4.04Å; H266-W268 AromaticContact ND1-CZ2 3.65Å; H266-W268 PolarHBondContact O-N 3.28Å | ||
| 269 | F | 98.1 | Very high | 97.4 | Very high | 43 Ų | 43 | 63.6 Ų | 63.6 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 166.1 | 176.7 | 67.4 | -78 | 0 | 0 | 0 | 110.5 | V188 V195 E239 M271 | V188-F269 HydrophobicContact CG2-CD1 4.22Å; V188-F269 HydrophobicContact CG2-CD2 4.28Å; V188-F269 HydrophobicContact CG2-CE1 3.76Å; V188-F269 HydrophobicContact CG2-CE2 3.86Å; V188-F269 HydrophobicContact CG2-CG 4.45Å; V188-F269 HydrophobicContact CG2-CZ 3.57Å; V188-F269 PolarHBondContact N-O 2.98Å; V188-F269 WeakPolarHBondContact O-CD1 3.48Å; V188-F269 PolarHBondContact O-N 2.77Å; V195-F269 HydrophobicContact CG1-CE1 4.13Å; V195-F269 HydrophobicContact CG1-CZ 3.75Å; E239-F269 HydrophobicContact CG-CD2 4.13Å; F269-M271 HydrophobicContact CD2-CG 3.92Å; F269-M271 HydrophobicContact CE2-CG 3.36Å; F269-M271 HydrophobicContact CE2-SD 3.66Å; F269-M271 HydrophobicContact CZ-CG 4.18Å; F269-M271 HydrophobicContact CZ-SD 3.95Å |
| 270 | F | 98.5 | Very high | 97.5 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 8% | 0.083 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.4 | -178.2 | -64.9 | -83.3 | 0 | 0 | 0 | 110.8 | F186 Y187 V240 L245 A248 K249 M252 F253 | F186-F270 WeakPolarHBondContact O-CA 3.43Å; Y187-F270 AromaticContact CD2-CD1 3.66Å; Y187-F270 HydrophobicContact CD2-CD1 3.66Å; Y187-F270 HydrophobicContact CD2-CD2 4.23Å; Y187-F270 AromaticContact CD2-CE1 3.28Å; Y187-F270 HydrophobicContact CD2-CE1 3.28Å; Y187-F270 AromaticContact CD2-CE2 3.91Å; Y187-F270 HydrophobicContact CD2-CE2 3.91Å; Y187-F270 HydrophobicContact CD2-CG 4.12Å; Y187-F270 AromaticContact CD2-CZ 3.41Å; Y187-F270 HydrophobicContact CD2-CZ 3.41Å; Y187-F270 VanDerWaalsContact CD2-CZ 3.41Å; Y187-F270 HydrophobicContact CE2-CD1 4.46Å; Y187-F270 HydrophobicContact CE2-CD2 4.34Å; Y187-F270 AromaticContact CE2-CE1 3.89Å; Y187-F270 HydrophobicContact CE2-CE1 3.89Å; Y187-F270 AromaticContact CE2-CE2 3.75Å; Y187-F270 HydrophobicContact CE2-CE2 3.75Å; Y187-F270 AromaticContact CE2-CZ 3.48Å; Y187-F270 HydrophobicContact CE2-CZ 3.48Å; Y187-F270 VanDerWaalsContact CE2-CZ 3.48Å; Y187-F270 HydrophobicContact CG-CD1 4.4Å; Y187-F270 AromaticContact CG-CE1 3.93Å; Y187-F270 HydrophobicContact CG-CE1 3.93Å; Y187-F270 HydrophobicContact CG-CZ 4.33Å; V240-F270 HydrophobicContact CB-CB 3.99Å; V240-F270 HydrophobicContact CG2-CB 3.8Å; V240-F270 PolarHBondContact N-O 3.34Å; L245-F270 HydrophobicContact CD2-CD2 4.37Å; L245-F270 HydrophobicContact CD2-CE2 4.39Å; L245-F270 HydrophobicContact CG-CD2 4.21Å; A248-F270 HydrophobicContact CB-CB 4.26Å; A248-F270 HydrophobicContact CB-CD1 4.2Å; A248-F270 HydrophobicContact CB-CG 4.24Å; K249-F270 HydrophobicContact CB-CE1 4.37Å; K249-F270 HydrophobicContact CB-CE2 4.03Å; K249-F270 HydrophobicContact CB-CZ 3.73Å; K249-F270 HydrophobicContact CG-CE2 4.41Å; K249-F270 HydrophobicContact CG-CZ 3.96Å; M252-F270 HydrophobicContact CB-CE1 3.98Å; M252-F270 HydrophobicContact CG-CD1 4.12Å; M252-F270 HydrophobicContact CG-CE1 3.97Å; F253-F270 HydrophobicContact CE1-CE1 4.39Å; F253-F270 HydrophobicContact CE1-CZ 4.11Å; F253-F270 HydrophobicContact CZ-CZ 4.18Å |
| 271 | M | 98.6 | Very high | 97.6 | Very high | 17 Ų | 17 | 61 Ų | 61 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 159 | 169.5 | -65.3 | -172.1 | 80.4 | 0 | 0 | 110 | Y185 F186 V188 L198 M237 V238 F269 | Y185-M271 CarbonylContact C-O 3.57Å; Y185-M271 WeakPolarHBondContact CA-O 3.16Å; F186-M271 HydrophobicContact CB-CB 4.37Å; F186-M271 PolarHBondContact N-O 3.07Å; F186-M271 PolarHBondContact O-N 2.91Å; V188-M271 HydrophobicContact CG2-CB 4.44Å; V188-M271 HydrophobicContact CG2-CG 3.72Å; V188-M271 HydrophobicContact CG2-SD 3.7Å; L198-M271 HydrophobicContact CD1-CE 4.34Å; L198-M271 HydrophobicContact CD1-SD 4.34Å; M237-M271 HydrophobicContact CB-CE 3.78Å; M237-M271 HydrophobicContact CE-CB 4.26Å; V238-M271 CarbonylContact O-C 3.51Å; V238-M271 VanDerWaalsContact O-CA 3.23Å; V238-M271 WeakPolarHBondContact O-CA 3.45Å; V238-M271 WeakPolarHBondContact O-CB 3.31Å; F269-M271 HydrophobicContact CD2-CG 3.92Å; F269-M271 HydrophobicContact CE2-CG 3.36Å; F269-M271 HydrophobicContact CE2-SD 3.66Å; F269-M271 HydrophobicContact CZ-CG 4.18Å; F269-M271 HydrophobicContact CZ-SD 3.95Å |
| 272 | K | 98.6 | Very high | 97.5 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 17% | 0.174 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 162.5 | 168.7 | 68.3 | 178 | -172.9 | -178.8 | 0 | 111.1 | V183 I184 Y185 M237 V238 V240 E244 D274 | V183-K272 HydrophobicContact CG1-CB 4.01Å; V183-K272 HydrophobicContact CG1-CD 3.97Å; I184-K272 VanDerWaalsContact O-CA 3.25Å; I184-K272 WeakPolarHBondContact O-CA 3.26Å; Y185-K272 HydrophobicContact CD1-CB 3.93Å; Y185-K272 HydrophobicContact CE1-CB 4.11Å; Y185-K272 HydrophobicContact CE1-CD 4.33Å; M237-K272 WeakPolarHBondContact CA-O 3.41Å; V238-K272 HydrophobicContact CG2-CD 4.38Å; V238-K272 HydrophobicContact CG2-CG 3.61Å; V238-K272 PolarHBondContact N-O 3.24Å; V238-K272 PolarHBondContact O-N 2.77Å; V240-K272 HydrophobicContact CG2-CB 4.05Å; V240-K272 HydrophobicContact CG2-CD 4.49Å; V240-K272 HydrophobicContact CG2-CG 4.21Å; E244-K272 IonicContact OE1-NZ 3.44Å; E244-K272 PolarHBondContact OE1-NZ 3.46Å; E244-K272 IonicContact OE2-NZ 3.48Å; E244-K272 PolarHBondContact OE2-NZ 2.95Å; K272-D274 WeakPolarHBondContact CE-OD1 3.24Å |
| 273 | M | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.5 | 173.7 | -171.9 | 177.7 | -74.3 | 0 | 0 | 111.1 | L152 I184 F186 A204 L206 L233 M237 L275 | L152-M273 HydrophobicContact CD1-CE 3.85Å; I184-M273 PolarHBondContact O-N 3.35Å; F186-M273 HydrophobicContact CE2-CB 4.21Å; F186-M273 HydrophobicContact CZ-CE 4.47Å; A204-M273 HydrophobicContact CB-CE 4.42Å; L206-M273 HydrophobicContact CB-CE 3.85Å; L233-M273 HydrophobicContact CB-SD 4.1Å; M237-M273 HydrophobicContact SD-CB 3.74Å; M237-M273 HydrophobicContact SD-CE 3.55Å; M237-M273 VanDerWaalsContact SD-CE 3.55Å; M237-M273 HydrophobicContact SD-CG 4.01Å; M273-L275 HydrophobicContact CG-CD2 4.01Å; M273-L275 PolarHBondContact O-N 3.01Å; M273-L275 HydrophobicContact SD-CD2 3.84Å |
| 274 | D | 98.3 | Very high | 97.3 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 106.3 | 166.7 | -67.5 | -17 | 0 | 0 | 0 | 108.4 | G235 K236 K272 | G235-D274 CarbonylContact C-O 3.44Å; G235-D274 WeakPolarHBondContact CA-O 3.18Å; K236-D274 HydrophobicContact CB-CB 4.5Å; K236-D274 PolarHBondContact N-O 2.76Å; K236-D274 PolarHBondContact O-N 3.35Å; K272-D274 WeakPolarHBondContact CE-OD1 3.24Å |
| 275 | L | 98.6 | Very high | 97 | Very high | 20 Ų | 20 | 54.2 Ų | 54.2 | 11% | 0.105 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 138.9 | -172.1 | -63.3 | -178 | 0 | 0 | 0 | 112.6 | L233 M273 V278 L292 Y295 F296 | L233-L275 HydrophobicContact CB-CD2 3.79Å; L233-L275 HydrophobicContact CD1-CD2 4.25Å; L233-L275 HydrophobicContact CD2-CD1 4.49Å; L233-L275 HydrophobicContact CD2-CD2 4.33Å; L233-L275 HydrophobicContact CG-CD2 4.35Å; M273-L275 HydrophobicContact CG-CD2 4.01Å; M273-L275 PolarHBondContact O-N 3.01Å; M273-L275 HydrophobicContact SD-CD2 3.84Å; L275-V278 HydrophobicContact CD1-CG2 4.09Å; L275-L292 HydrophobicContact CB-CD2 3.75Å; L275-L292 VanDerWaalsContact O-CD1 3.24Å; L275-L292 WeakPolarHBondContact O-CD1 3.19Å; L275-Y295 HydrophobicContact CD1-CD1 3.81Å; L275-Y295 HydrophobicContact CD1-CE1 3.47Å; L275-Y295 VanDerWaalsContact CD1-CE1 3.47Å; L275-F296 HydrophobicContact CB-CZ 4.46Å; L275-F296 HydrophobicContact CD1-CE1 4.39Å; L275-F296 HydrophobicContact CD1-CE2 4.23Å; L275-F296 HydrophobicContact CD1-CZ 3.71Å; L275-F296 HydrophobicContact CG-CZ 4.21Å |
| 276 | I | 98.5 | Very high | 96.8 | Very high | 97 Ų | 97 | 53 Ų | 53 | 50% | 0.497 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | -40.1 | 171.5 | -64.3 | 167.5 | 0 | 0 | 0 | 109.8 | Y203 T234 | Y203-I276 HydrophobicContact CD1-CD1 3.84Å; Y203-I276 HydrophobicContact CE1-CD1 3.67Å; T234-I276 WeakPolarHBondContact O-CA 3.29Å; T234-I276 WeakPolarHBondContact O-CB 3.23Å; T234-I276 PolarHBondContact O-N 3.35Å |
| 277 | Q | 98.5 | Very high | 96.7 | Very high | 84 Ų | 84 | 53 Ų | 53 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 139.4 | -179 | -179.3 | 173.5 | 83.7 | 0 | 0 | 111.4 | T234 I289 | T234-Q277 PolarHBondContact N-O 2.91Å; T234-Q277 PolarHBondContact O-N 3.41Å; Q277-I289 HydrophobicContact CG-CG2 4.38Å |
| 278 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 112.9 | 170 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | A140 L231 L233 L275 I290 L292 Y295 | A140-V278 HydrophobicContact CB-CG1 4.1Å; L231-V278 HydrophobicContact CD1-CG1 3.8Å; L233-V278 HydrophobicContact CD2-CB 4.27Å; L233-V278 HydrophobicContact CD2-CG1 3.92Å; L233-V278 HydrophobicContact CD2-CG2 3.89Å; L275-V278 HydrophobicContact CD1-CG2 4.09Å; V278-I290 HydrophobicContact CB-CB 4.05Å; V278-I290 HydrophobicContact CG1-CB 3.93Å; V278-I290 HydrophobicContact CG1-CD1 3.92Å; V278-I290 HydrophobicContact CG1-CG1 4.34Å; V278-I290 PolarHBondContact O-N 3.33Å; V278-L292 HydrophobicContact CG2-CD2 3.77Å; V278-Y295 HydrophobicContact CG1-CD2 3.99Å; V278-Y295 HydrophobicContact CG1-CE2 4.47Å; V278-Y295 HydrophobicContact CG2-CD1 4.44Å; V278-Y295 HydrophobicContact CG2-CD2 4.07Å; V278-Y295 HydrophobicContact CG2-CG 3.98Å |
| 279 | W | 98.5 | Very high | 96.7 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 22% | 0.216 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 126 | 178.4 | -177.9 | 104.3 | 0 | 0 | 0 | 109.1 | R230 T232 Q281 V287 I289 | R230-W279 HydrophobicContact CB-CZ3 4.49Å; T232-W279 PolarHBondContact N-O 3.13Å; T232-W279 PolarHBondContact O-N 2.89Å; W279-Q281 HydrophobicContact CE3-CB 4.38Å; W279-Q281 HydrophobicContact CH2-CB 3.4Å; W279-Q281 HydrophobicContact CH2-CG 4.22Å; W279-Q281 HydrophobicContact CZ2-CB 4.27Å; W279-Q281 HydrophobicContact CZ3-CB 3.46Å; W279-Q281 VanDerWaalsContact CZ3-CB 3.46Å; W279-V287 HydrophobicContact CH2-CG1 3.92Å; W279-V287 HydrophobicContact CZ2-CB 3.91Å; W279-V287 HydrophobicContact CZ2-CG1 3.14Å; W279-I289 HydrophobicContact CB-CD1 4.35Å; W279-I289 VanDerWaalsContact CD1-CD1 3.42Å; W279-I289 HydrophobicContact CG-CD1 4.18Å |
| 280 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131 | -178.1 | 179.1 | 69.6 | 0 | 0 | 0 | 110.4 | T136 T139 I143 L231 D282 V287 S288 I290 | T136-L280 HydrophobicContact CG2-CD2 4.43Å; T136-L280 WeakPolarHBondContact O-CD2 3.46Å; T139-L280 HydrophobicContact CG2-CD1 4.34Å; T139-L280 HydrophobicContact CG2-CD2 4.17Å; I143-L280 HydrophobicContact CD1-CD1 3.77Å; L231-L280 HydrophobicContact CB-CD1 4.42Å; L231-L280 HydrophobicContact CD1-CD1 4.4Å; L280-D282 HydrophobicContact CD1-CB 4.1Å; L280-D282 HydrophobicContact CD2-CB 4.09Å; L280-D282 HydrophobicContact CG-CB 3.94Å; L280-V287 CarbonylContact O-C 3.53Å; L280-V287 WeakPolarHBondContact O-CA 3.48Å; L280-S288 PolarHBondContact N-O 3.31Å; L280-S288 PolarHBondContact O-N 3.14Å; L280-I290 HydrophobicContact CB-CD1 3.83Å; L280-I290 HydrophobicContact CD2-CD1 3.86Å; L280-I290 HydrophobicContact CG-CD1 4.49Å |
| 281 | Q | 97.3 | Very high | 96.7 | Very high | 20 Ų | 20 | 49.2 Ų | 49.2 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 101.6 | 167 | 175.5 | 61.9 | 77.6 | 0 | 0 | 108.1 | A229 R230 W279 W283 G286 V287 | A229-Q281 CarbonylContact C-O 3.49Å; A229-Q281 WeakPolarHBondContact CA-O 3.31Å; R230-Q281 PolarHBondContact N-O 2.84Å; R230-Q281 PolarHBondContact O-N 2.83Å; W279-Q281 HydrophobicContact CE3-CB 4.38Å; W279-Q281 HydrophobicContact CH2-CB 3.4Å; W279-Q281 HydrophobicContact CH2-CG 4.22Å; W279-Q281 HydrophobicContact CZ2-CB 4.27Å; W279-Q281 HydrophobicContact CZ3-CB 3.46Å; W279-Q281 VanDerWaalsContact CZ3-CB 3.46Å; Q281-W283 PolarHBondContact NE2-O 2.97Å; Q281-G286 PolarHBondContact NE2-O 2.86Å; Q281-G286 VanDerWaalsContact NE2-O 3.09Å; Q281-G286 PolarHBondContact OE1-O 2.87Å; Q281-V287 HydrophobicContact CB-CG1 4.42Å |
| 282 | D | 95.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 51 Ų | 51 | 6% | 0.064 | 29% | 0.29 | C | S | . | . | trans | -130.7 | -7 | -174.1 | 66.8 | -26.5 | 0 | 0 | 0 | 114.1 | T139 P226 A229 L280 | T139-D282 HydrophobicContact CG2-CB 4.13Å; P226-D282 CarbonylContact O-C 3.58Å; P226-D282 WeakPolarHBondContact O-CA 3.44Å; A229-D282 HydrophobicContact CB-CB 3.7Å; L280-D282 HydrophobicContact CD1-CB 4.1Å; L280-D282 HydrophobicContact CD2-CB 4.09Å; L280-D282 HydrophobicContact CG-CB 3.94Å | ||
| 283 | W | 95.4 | Very high | 96.7 | Very high | 106 Ų | 106 | 56.1 Ų | 56.1 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -150.7 | 165 | 176 | -158.9 | -110.2 | 0 | 0 | 0 | 113.9 | H133 P226 R227 Q281 | H133-W283 HydrophobicContact CB-CB 4.21Å; H133-W283 HydrophobicContact CB-CE3 4.28Å; H133-W283 AromaticContact CD2-CD1 3.84Å; H133-W283 AromaticContact CD2-CD2 3.88Å; H133-W283 AromaticContact CD2-CG 3.53Å; H133-W283 AromaticContact CE1-CD2 3.81Å; H133-W283 AromaticContact CE1-CE2 3.74Å; H133-W283 AromaticContact CG-CD2 3.85Å; H133-W283 AromaticContact CG-CE3 3.95Å; H133-W283 AromaticContact CG-CG 3.89Å; H133-W283 AromaticContact ND1-CD2 3.81Å; H133-W283 AromaticContact ND1-CE3 3.81Å; H133-W283 AromaticContact NE2-CD1 3.68Å; H133-W283 AromaticContact NE2-CD2 3.89Å; H133-W283 AromaticContact NE2-CE2 3.92Å; H133-W283 AromaticContact NE2-CG 3.76Å; H133-W283 AromaticContact NE2-NE1 3.77Å; P226-W283 PolarHBondContact O-N 3.18Å; R227-W283 HydrophobicContact CB-CZ3 4.43Å; R227-W283 HydrophobicContact CG-CE3 3.9Å; R227-W283 HydrophobicContact CG-CH2 4.45Å; R227-W283 HydrophobicContact CG-CZ3 3.84Å; Q281-W283 PolarHBondContact NE2-O 2.97Å |
| 284 | I | 93.5 | Very high | 96.7 | Very high | 109 Ų | 109 | 59.6 Ų | 59.6 | 56% | 0.559 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 136.9 | 174.5 | -54.5 | 167.3 | 0 | 0 | 0 | 109 | P226 R227 | P226-I284 HydrophobicContact CB-CG1 4.31Å; R227-I284 HydrophobicContact CG-CG1 4.34Å |
| 285 | G | 87.6 | Confident | 96.7 | Very high | 85 Ų | 85 | 56.2 Ų | 56.2 | 88% | 0.876 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 117.8 | -0.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 286 | G | 89.9 | Confident | 96.7 | Very high | 41 Ų | 41 | 59.3 Ų | 59.3 | 42% | 0.423 | 33% | 0.328 | S | S | . | . | trans | 129 | -162.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q281 | Q281-G286 PolarHBondContact NE2-O 2.86Å; Q281-G286 VanDerWaalsContact NE2-O 3.09Å; Q281-G286 PolarHBondContact OE1-O 2.87Å | ||
| 287 | V | 95.2 | Very high | 96.6 | Very high | 71 Ų | 71 | 63.3 Ų | 63.3 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | trans | -109.6 | 147.6 | -173.3 | -56.7 | 0 | 0 | 0 | 0 | 109.5 | W279 L280 Q281 | W279-V287 HydrophobicContact CH2-CG1 3.92Å; W279-V287 HydrophobicContact CZ2-CB 3.91Å; W279-V287 HydrophobicContact CZ2-CG1 3.14Å; L280-V287 CarbonylContact O-C 3.53Å; L280-V287 WeakPolarHBondContact O-CA 3.48Å; Q281-V287 HydrophobicContact CB-CG1 4.42Å | ||
| 288 | S | 97.2 | Very high | 96.6 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.2 | 174.2 | -64.1 | 0 | 0 | 0 | 0 | 109.8 | L280 | L280-S288 PolarHBondContact N-O 3.31Å; L280-S288 PolarHBondContact O-N 3.14Å |
| 289 | I | 98.1 | Very high | 96.3 | Very high | 97 Ų | 97 | 63.9 Ų | 63.9 | 50% | 0.497 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 109.4 | 167.1 | -53.9 | -57.7 | 0 | 0 | 0 | 107.1 | Q277 W279 | Q277-I289 HydrophobicContact CG-CG2 4.38Å; W279-I289 HydrophobicContact CB-CD1 4.35Å; W279-I289 VanDerWaalsContact CD1-CD1 3.42Å; W279-I289 HydrophobicContact CG-CD1 4.18Å |
| 290 | I | 98.4 | Very high | 96 | Very high | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 126.9 | -171.7 | -57 | 168.8 | 0 | 0 | 0 | 108.7 | T136 A137 A140 V278 L280 D294 | T136-I290 WeakPolarHBondContact O-CD1 3.34Å; A137-I290 HydrophobicContact CB-CG2 3.92Å; A140-I290 HydrophobicContact CB-CD1 3.58Å; V278-I290 HydrophobicContact CB-CB 4.05Å; V278-I290 HydrophobicContact CG1-CB 3.93Å; V278-I290 HydrophobicContact CG1-CD1 3.92Å; V278-I290 HydrophobicContact CG1-CG1 4.34Å; V278-I290 PolarHBondContact O-N 3.33Å; L280-I290 HydrophobicContact CB-CD1 3.83Å; L280-I290 HydrophobicContact CD2-CD1 3.86Å; L280-I290 HydrophobicContact CG-CD1 4.49Å; I290-D294 HydrophobicContact CG2-CB 4.28Å |
| 291 | P | 98.4 | Very high | 95.3 | Very high | 61 Ų | 61 | 66.4 Ų | 66.4 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | trans | -57.6 | 138.6 | 171.5 | -24.5 | 35.4 | 0 | 0 | 0 | 111.3 | E293 D294 Y295 | P291-E293 HydrophobicContact CB-CG 3.93Å; P291-E293 PolarHBondContact O-N 3.07Å; P291-D294 HydrophobicContact CB-CB 4.4Å; P291-D294 WeakPolarHBondContact CG-OD2 3.33Å; P291-D294 PolarHBondContact O-N 3.44Å; P291-D294 VanDerWaalsContact O-N 3.07Å; P291-Y295 PolarHBondContact O-N 3.24Å | ||
| 292 | L | 98.4 | Very high | 95.2 | Very high | 55 Ų | 55 | 68.8 Ų | 68.8 | 29% | 0.288 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59 | -36.8 | -179 | -61.1 | -177.6 | 0 | 0 | 0 | 112 | L275 V278 D294 Y295 F296 | L275-L292 HydrophobicContact CB-CD2 3.75Å; L275-L292 VanDerWaalsContact O-CD1 3.24Å; L275-L292 WeakPolarHBondContact O-CD1 3.19Å; V278-L292 HydrophobicContact CG2-CD2 3.77Å; L292-D294 VanDerWaalsContact C-N 3.33Å; L292-D294 PolarHBondContact O-N 2.95Å; L292-Y295 PolarHBondContact O-N 3.11Å; L292-F296 HydrophobicContact CB-CD2 4.35Å; L292-F296 HydrophobicContact CB-CE2 4.34Å; L292-F296 WeakPolarHBondContact O-CD2 3.43Å; L292-F296 PolarHBondContact O-N 3.07Å |
| 293 | E | 98.1 | Very high | 95.2 | Very high | 148 Ų | 148 | 71.7 Ų | 71.7 | 69% | 0.692 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.1 | -42.1 | 176 | 60.9 | -172.6 | 174.6 | 0 | 0 | 112.5 | P291 K297 | P291-E293 HydrophobicContact CB-CG 3.93Å; P291-E293 PolarHBondContact O-N 3.07Å; E293-K297 WeakPolarHBondContact O-CB 3.38Å; E293-K297 PolarHBondContact O-N 2.86Å |
| 294 | D | 98.3 | Very high | 95.2 | Very high | 75 Ų | 75 | 69.8 Ų | 69.8 | 40% | 0.401 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.4 | -41.4 | 178.6 | -69.6 | -26.1 | 0 | 0 | 0 | 111.1 | A137 I290 P291 L292 K297 A298 | A137-D294 HydrophobicContact CB-CB 4.13Å; I290-D294 HydrophobicContact CG2-CB 4.28Å; P291-D294 HydrophobicContact CB-CB 4.4Å; P291-D294 WeakPolarHBondContact CG-OD2 3.33Å; P291-D294 PolarHBondContact O-N 3.44Å; P291-D294 VanDerWaalsContact O-N 3.07Å; L292-D294 VanDerWaalsContact C-N 3.33Å; L292-D294 PolarHBondContact O-N 2.95Å; D294-K297 PolarHBondContact O-N 3.26Å; D294-A298 WeakPolarHBondContact O-CB 3.4Å; D294-A298 PolarHBondContact O-N 3.5Å |
| 295 | Y | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 176.2 | 173.9 | -94 | 0 | 0 | 0 | 112.1 | A140 R141 G182 L233 L275 V278 P291 L292 A298 | A140-Y295 HydrophobicContact CB-CD2 4.01Å; A140-Y295 HydrophobicContact CB-CE2 4.16Å; R141-Y295 VanDerWaalsContact CD-O 3.29Å; R141-Y295 WeakPolarHBondContact CD-O 3.31Å; R141-Y295 HydrophobicContact CG-CD2 3.94Å; R141-Y295 HydrophobicContact CG-CE2 3.89Å; R141-Y295 HydrophobicContact CG-CG 4.46Å; R141-Y295 VanDerWaalsContact CG-O 3.23Å; R141-Y295 WeakPolarHBondContact CG-O 3.25Å; R141-Y295 PolarHBondContact NH1-O 2.75Å; G182-Y295 VanDerWaalsContact O-CE1 3.26Å; G182-Y295 WeakPolarHBondContact O-CE1 3.28Å; G182-Y295 PolarHBondContact O-OH 2.87Å; L233-Y295 HydrophobicContact CD2-CE2 4.44Å; L275-Y295 HydrophobicContact CD1-CD1 3.81Å; L275-Y295 HydrophobicContact CD1-CE1 3.47Å; L275-Y295 VanDerWaalsContact CD1-CE1 3.47Å; V278-Y295 HydrophobicContact CG1-CD2 3.99Å; V278-Y295 HydrophobicContact CG1-CE2 4.47Å; V278-Y295 HydrophobicContact CG2-CD1 4.44Å; V278-Y295 HydrophobicContact CG2-CD2 4.07Å; V278-Y295 HydrophobicContact CG2-CG 3.98Å; P291-Y295 PolarHBondContact O-N 3.24Å; L292-Y295 PolarHBondContact O-N 3.11Å; Y295-A298 PolarHBondContact O-N 2.99Å |
| 296 | F | 98 | Very high | 95.8 | Very high | 86 Ų | 86 | 66.4 Ų | 66.4 | 38% | 0.377 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -74.5 | -25.9 | -179.5 | -72.7 | -62 | 0 | 0 | 0 | 113 | R141 V183 L275 L292 | R141-F296 PolarHBondContact NH1-O 3.04Å; V183-F296 HydrophobicContact CG2-CE1 3.87Å; L275-F296 HydrophobicContact CB-CZ 4.46Å; L275-F296 HydrophobicContact CD1-CE1 4.39Å; L275-F296 HydrophobicContact CD1-CE2 4.23Å; L275-F296 HydrophobicContact CD1-CZ 3.71Å; L275-F296 HydrophobicContact CG-CZ 4.21Å; L292-F296 HydrophobicContact CB-CD2 4.35Å; L292-F296 HydrophobicContact CB-CE2 4.34Å; L292-F296 WeakPolarHBondContact O-CD2 3.43Å; L292-F296 PolarHBondContact O-N 3.07Å |
| 297 | K | 97.6 | Very high | 96.2 | Very high | 181 Ų | 181 | 68.1 Ų | 68.1 | 79% | 0.787 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -77.9 | -26.7 | 175.4 | -173 | 177.4 | 178.8 | -175.4 | 0 | 113.3 | E293 D294 | E293-K297 WeakPolarHBondContact O-CB 3.38Å; E293-K297 PolarHBondContact O-N 2.86Å; D294-K297 PolarHBondContact O-N 3.26Å |
| 298 | A | 96.7 | Very high | 96.3 | Very high | 24 Ų | 24 | 67.9 Ų | 67.9 | 20% | 0.198 | 35% | 0.346 | C | S | . | . | trans | -68.7 | 163.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A137 R141 D294 Y295 | A137-A298 HydrophobicContact CB-CB 3.96Å; R141-A298 HydrophobicContact CG-CB 4.04Å; R141-A298 PolarHBondContact NH1-O 3.49Å; D294-A298 WeakPolarHBondContact O-CB 3.4Å; D294-A298 PolarHBondContact O-N 3.5Å; Y295-A298 PolarHBondContact O-N 2.99Å | ||
| 299 | T | 93.4 | Very high | 96.2 | Very high | 72 Ų | 72 | 70.5 Ų | 70.5 | 44% | 0.442 | 35% | 0.354 | S | S | . | . | trans | -124.5 | 140 | 174.5 | 170.8 | 0 | 0 | 0 | 0 | 109.3 | R138 F301 | R138-T299 WeakPolarHBondContact CG-O 3.11Å; T299-F301 PolarHBondContact O-N 3.37Å; T299-F301 WeakPolarHBondContact OG1-CD2 2.92Å; T299-F301 PolarHBondContact OG1-N 2.99Å | ||
| 300 | P | 91.2 | Very high | 96 | Very high | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | trans | -74.9 | -8.3 | 178 | 32.8 | -37.5 | 0 | 0 | 0 | 113.8 | R141 H145 | R141-P300 HydrophobicContact CB-CB 4.3Å; H145-P300 HydrophobicContact CB-CB 3.72Å; H145-P300 HydrophobicContact CB-CG 3.97Å | ||
| 301 | F | 85.5 | Confident | 95.8 | Very high | 106 Ų | 106 | 73.8 Ų | 73.8 | 47% | 0.465 | 37% | 0.37 | S | S | . | . | trans | -93.5 | 0 | -176.1 | -48.4 | -61.6 | 0 | 0 | 0 | 113.2 | R138 H145 L177 T299 | R138-F301 PolarHBondContact NE-O 3.43Å; R138-F301 VanDerWaalsContact NH2-C 3.29Å; R138-F301 PolarHBondContact NH2-O 3.32Å; R138-F301 PolarHBondContact NH2-OXT 2.84Å; R138-F301 VanDerWaalsContact NH2-OXT 3.11Å; H145-F301 AromaticContact CD2-CE1 3.8Å; H145-F301 AromaticContact NE2-CE1 3.5Å; H145-F301 WeakPolarHBondContact NE2-CE1 3.4Å; H145-F301 AromaticContact NE2-CZ 3.6Å; L177-F301 VanDerWaalsContact O-CE1 3.28Å; L177-F301 WeakPolarHBondContact O-CE1 3.46Å; L177-F301 WeakPolarHBondContact O-CZ 3.13Å; T299-F301 PolarHBondContact O-N 3.37Å; T299-F301 WeakPolarHBondContact OG1-CD2 2.92Å; T299-F301 PolarHBondContact OG1-N 2.99Å |
Retrieved 301 of 301 residues in 196.6 ms
(Link to these results)