| 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 | 39.9 | Very low | 48.8 | Very low | 248 Ų | 248 | 147 Ų | 147 | 100% | 1.222 | 80% | 0.802 | S | S | * | * | 0 | 160.7 | 0 | -75.2 | 178.6 | 169 | 0 | 0 | 108.2 | |||||
| 2 | S | 43.2 | Very low | 49.1 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -62.3 | 139.2 | -176.2 | 32.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3 | G | 44.4 | Very low | 49.4 | Very low | 76 Ų | 76 | 147.4 Ų | 147.4 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -101.4 | 145.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 4 | D | 47.3 | Very low | 49.5 | Very low | 143 Ų | 143 | 148.9 Ų | 148.9 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -147.5 | 114.9 | 176.2 | -129.3 | -40 | 0 | 0 | 0 | 108.3 | ||||
| 5 | E | 50.4 | Low | 49.4 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -93.9 | 103.3 | -177.8 | -69.2 | -172 | 120.6 | 0 | 0 | 110.2 | I7 | E5-I7 PolarHBondContact O-N 2.7Š| ||
| 6 | M | 56.7 | Low | 49.3 | Very low | 180 Ų | 180 | 156.2 Ų | 156.2 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -77.4 | 95.4 | 178.7 | -66.3 | -169.2 | -174.8 | 0 | 0 | 111.8 | ||||
| 7 | I | 54.2 | Low | 48.9 | Very low | 160 Ų | 160 | 159.4 Ų | 159.4 | 82% | 0.821 | 82% | 0.818 | S | S | * | * | trans | -55.2 | 134.6 | 173.7 | -71.9 | 165.7 | 0 | 0 | 0 | 111.5 | E5 | E5-I7 PolarHBondContact O-N 2.7Š| ||
| 8 | F | 42.6 | Very low | 48.4 | Very low | 185 Ų | 185 | 162.2 Ų | 162.2 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | trans | -104.7 | 108 | 178.9 | -171.8 | -89.9 | 0 | 0 | 0 | 110.9 | P10 | F8-P10 WeakPolarHBondContact O-CD 3.26Š| ||
| 9 | D | 48.8 | Very low | 48 | Very low | 115 Ų | 115 | 164.6 Ų | 164.6 | 62% | 0.615 | 83% | 0.827 | S | S | * | * | trans | -89 | 113.9 | -178.5 | -176.7 | -11.1 | 0 | 0 | 0 | 112.2 | N11 | D9-N11 PolarHBondContact O-N 2.79Å; D9-N11 PolarHBondContact OD1-N 3.32Å | ||
| 10 | P | 53.7 | Low | 47.6 | Very low | 108 Ų | 108 | 166.8 Ų | 166.8 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 7.4 | -167.8 | 35.3 | -36.9 | 0 | 0 | 0 | 116 | F8 | F8-P10 WeakPolarHBondContact O-CD 3.26Š|
| 11 | N | 55.5 | Low | 47.6 | Very low | 99 Ų | 99 | 168.2 Ų | 168.2 | 53% | 0.529 | 83% | 0.832 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98.1 | -4.4 | -169 | -148.7 | 4.5 | 0 | 0 | 0 | 116.1 | D9 T13 K14 | D9-N11 PolarHBondContact O-N 2.79Å; D9-N11 PolarHBondContact OD1-N 3.32Å; N11-T13 PolarHBondContact O-N 3.21Å; N11-K14 PolarHBondContact OD1-NZ 3.29Å |
| 12 | M | 52 | Low | 47.6 | Very low | 175 Ų | 175 | 161.8 Ų | 161.8 | 86% | 0.862 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 20.8 | -165.9 | -91.5 | -66.6 | -169.8 | 0 | 0 | 117.9 | ||
| 13 | T | 53.9 | Low | 47.1 | Very low | 124 Ų | 124 | 164.3 Ų | 164.3 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | 12.6 | -174.8 | 54.5 | 0 | 0 | 0 | 0 | 116.9 | N11 K15 | N11-T13 PolarHBondContact O-N 3.21Å; T13-K15 VanDerWaalsContact C-N 3.33Å; T13-K15 PolarHBondContact O-N 3.26Å |
| 14 | K | 49.8 | Very low | 46.8 | Very low | 169 Ų | 169 | 167.9 Ų | 167.9 | 74% | 0.735 | 80% | 0.803 | S | S | * | * | trans | -79.3 | 65.4 | 178.7 | -71.7 | 167.4 | -176.7 | 152.5 | 0 | 114 | N11 K16 | N11-K14 PolarHBondContact OD1-NZ 3.29Å; K14-K16 PolarHBondContact O-N 2.93Å | ||
| 15 | K | 48.6 | Very low | 46.3 | Very low | 204 Ų | 204 | 167.8 Ų | 167.8 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -72.3 | 111 | 173.8 | -80.2 | -176.3 | 176.3 | 175 | 0 | 112.1 | T13 | T13-K15 VanDerWaalsContact C-N 3.33Å; T13-K15 PolarHBondContact O-N 3.26Å | ||
| 16 | K | 47.7 | Very low | 45.6 | Very low | 210 Ų | 210 | 164.9 Ų | 164.9 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -55.2 | 135.7 | 174.1 | -63 | 173.6 | -179.7 | 173.7 | 0 | 111.7 | K14 | K14-K16 PolarHBondContact O-N 2.93Š| ||
| 17 | K | 42.1 | Very low | 44.6 | Very low | 211 Ų | 211 | 165 Ų | 165 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -125.8 | 150.8 | 160.1 | -85.5 | -173.5 | 174.5 | 179.2 | 0 | 110.7 | ||||
| 18 | K | 40.2 | Very low | 43.7 | Very low | 209 Ų | 209 | 166 Ų | 166 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78 | 144.5 | -160.5 | -61.7 | 178 | 177.8 | -179.1 | 0 | 112.9 | ||
| 19 | K | 41.5 | Very low | 43 | Very low | 209 Ų | 209 | 160.9 Ų | 160.9 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63 | 141 | 159.1 | -66.3 | -175.8 | 177.5 | -176.2 | 0 | 109.1 | ||
| 20 | K | 39.9 | Very low | 41.9 | Very low | 207 Ų | 207 | 159 Ų | 159 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 142.2 | 156.7 | -73.2 | -171.3 | 174 | -171.5 | 0 | 108.5 | ||
| 21 | K | 48 | Very low | 40.6 | Very low | 198 Ų | 198 | 163.5 Ų | 163.5 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 154.7 | 159.1 | -74.1 | -171.7 | 174.9 | -172 | 0 | 108.7 | ||
| 22 | P | 39.5 | Very low | 39.3 | Very low | 112 Ų | 112 | 162.2 Ų | 162.2 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 160.7 | 163.1 | 31.9 | -34.9 | 0 | 0 | 0 | 110.5 | ||
| 23 | F | 32.1 | Very low | 38.2 | Very low | 173 Ų | 173 | 161.4 Ų | 161.4 | 76% | 0.759 | 83% | 0.825 | S | S | * | * | trans | -104.3 | 113.1 | 171.6 | 177.1 | -95.5 | 0 | 0 | 0 | 107 | L25 | F23-L25 HydrophobicContact CD1-CB 4.45Å; F23-L25 HydrophobicContact CE1-CB 3.72Å; F23-L25 HydrophobicContact CE1-CD2 4.49Å; F23-L25 HydrophobicContact CZ-CB 3.89Å; F23-L25 HydrophobicContact CZ-CD1 4.17Å; F23-L25 HydrophobicContact CZ-CD2 4.24Å; F23-L25 HydrophobicContact CZ-CG 4.33Å | ||
| 24 | M | 37.6 | Very low | 36.9 | Very low | 150 Ų | 150 | 158.9 Ų | 158.9 | 74% | 0.739 | 82% | 0.824 | S | S | * | * | trans | -103 | 143.7 | 165 | -53.4 | -69.7 | -78.6 | 0 | 0 | 106.3 | ||||
| 25 | L | 37.5 | Very low | 35.8 | Very low | 141 Ų | 141 | 154 Ų | 154 | 74% | 0.738 | 82% | 0.821 | S | S | * | * | trans | -154.4 | 103.4 | 173.4 | -168.5 | 90.3 | 0 | 0 | 0 | 108.3 | F23 | F23-L25 HydrophobicContact CD1-CB 4.45Å; F23-L25 HydrophobicContact CE1-CB 3.72Å; F23-L25 HydrophobicContact CE1-CD2 4.49Å; F23-L25 HydrophobicContact CZ-CB 3.89Å; F23-L25 HydrophobicContact CZ-CD1 4.17Å; F23-L25 HydrophobicContact CZ-CD2 4.24Å; F23-L25 HydrophobicContact CZ-CG 4.33Å | ||
| 26 | D | 35.4 | Very low | 34.8 | Very low | 124 Ų | 124 | 153.7 Ų | 153.7 | 66% | 0.663 | 82% | 0.823 | S | S | * | * | trans | -128.8 | 139.5 | 178 | -60 | -69.1 | 0 | 0 | 0 | 108.4 | ||||
| 27 | E | 37.1 | Very low | 33.9 | Very low | 182 Ų | 182 | 153.2 Ų | 153.2 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | 61 | 160.3 | 162 | -73.3 | 170.9 | 112 | 0 | 0 | 118.7 | ||||
| 28 | E | 34.3 | Very low | 33.3 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | cis | -153.4 | 168.3 | 11.9 | -147.2 | -173.7 | 141.7 | 0 | 0 | 112.9 | ||||
| 29 | G | 27.3 | Very low | 32.8 | Very low | 78 Ų | 78 | 147.4 Ų | 147.4 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 79.2 | 145.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 30 | G | 26.4 | Very low | 32.1 | Very low | 75 Ų | 75 | 145.7 Ų | 145.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | cis | 148.9 | 152.4 | 13.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 31 | E | 27.3 | Very low | 31.6 | Very low | 204 Ų | 204 | 141.8 Ų | 141.8 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | cis | -153.2 | 169.1 | 7.2 | -56.4 | 172.6 | 98.2 | 0 | 0 | 109.7 | ||||
| 32 | G | 27.1 | Very low | 30.6 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 105.3 | 126.1 | 139.2 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 33 | V | 29.4 | Very low | 30.1 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 96% | 0.964 | 79% | 0.791 | S | S | * | * | trans | 67.2 | 139.4 | 152.7 | -164.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 34 | G | 26 | Very low | 30 | Very low | 71 Ų | 71 | 137.1 Ų | 137.1 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | cis | 155.4 | 146.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 35 | G | 27.3 | Very low | 29.4 | Very low | 65 Ų | 65 | 137.4 Ų | 137.4 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | trans | 93.6 | 135.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 36 | E | 26.6 | Very low | 28.9 | Very low | 199 Ų | 199 | 135.4 Ų | 135.4 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | 69.5 | 133.4 | 52.3 | -62.7 | -176.3 | 129.4 | 0 | 0 | 112.6 | |||||
| 37 | E | 29.6 | Very low | 28.7 | Very low | 199 Ų | 199 | 138.3 Ų | 138.3 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | cis | -126.5 | -175.1 | 12.4 | -64.6 | -179 | 93.9 | 0 | 0 | 113.5 | ||||
| 38 | A | 29.8 | Very low | 29.1 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | -108.4 | 158.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 39 | K | 29.1 | Very low | 28.9 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -159 | 138.1 | 136.8 | -139.6 | 172.1 | -175.6 | 172.1 | 0 | 114.7 | ||||
| 40 | E | 27.6 | Very low | 28.8 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -77.6 | 172.5 | 166.4 | -59 | 132 | 137.7 | 0 | 0 | 110.8 | ||||
| 41 | V | 27.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | -172.4 | 131.7 | 77 | 156.4 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 42 | E | 28 | Very low | 28.9 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | 52 | 151.1 | 89.7 | -103.6 | -132.2 | 129.5 | 0 | 0 | 114.1 | K44 | E42-K44 IonicContact OE1-NZ 2.7Å; E42-K44 PolarHBondContact OE1-NZ 3.31Å | |||
| 43 | V | 28.8 | Very low | 29 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 61% | 0.612 | 77% | 0.767 | S | S | * | * | cis | -170.7 | -175.8 | -21 | 89.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 44 | K | 29.4 | Very low | 29.1 | Very low | 137 Ų | 137 | 137.9 Ų | 137.9 | 60% | 0.596 | 76% | 0.759 | S | S | * | * | cis | -132.4 | 166.1 | 16.3 | -152.9 | 84.8 | -90.5 | 163.4 | 0 | 111.8 | E42 | E42-K44 IonicContact OE1-NZ 2.7Å; E42-K44 PolarHBondContact OE1-NZ 3.31Å | ||
| 45 | E | 26 | Very low | 29.3 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | trans | -55.7 | 162.7 | 154.9 | -51.7 | 129.6 | 123.5 | 0 | 0 | 113.9 | ||||
| 46 | A | 26.2 | Very low | 29.4 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | 178.2 | 114.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 47 | E | 32.3 | Very low | 29.5 | Very low | 184 Ų | 184 | 142.8 Ų | 142.8 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | trans | -88.8 | 171.5 | 135.7 | -72.2 | -168.8 | 157.5 | 0 | 0 | 106.7 | ||||
| 48 | P | 44 | Very low | 29.6 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | cis | -162.3 | -165.8 | 41.8 | 46.6 | -22.1 | 0 | 0 | 0 | 120 | ||||
| 49 | E | 30.3 | Very low | 29.6 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | 90 | 122.8 | 146.2 | -78.5 | -169.4 | -161.6 | 0 | 0 | 125.8 | ||||
| 50 | V | 26.6 | Very low | 29.7 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 84.2 | 140.2 | 131.6 | 174.2 | 0 | 0 | 0 | 0 | 122.1 | E52 | V50-E52 VanDerWaalsContact CG1-OE2 3.26Å; V50-E52 WeakPolarHBondContact CG1-OE2 3.43Å | ||
| 51 | G | 25.9 | Very low | 29.8 | Very low | 62 Ų | 62 | 140.5 Ų | 140.5 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | trans | 127.2 | 123.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 52 | E | 28.6 | Very low | 29.9 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | cis | 82.5 | 126.3 | 13.5 | -50.4 | 158.2 | 135.8 | 0 | 0 | 113.7 | V50 | V50-E52 VanDerWaalsContact CG1-OE2 3.26Å; V50-E52 WeakPolarHBondContact CG1-OE2 3.43Å | ||
| 53 | D | 29.3 | Very low | 29.9 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | cis | -154.1 | 171.8 | 3.4 | -87.2 | -26 | 0 | 0 | 0 | 113.2 | ||||
| 54 | K | 32.1 | Very low | 30 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 78.9 | 130.6 | 164.1 | -53.9 | -175.7 | -177 | 174.6 | 0 | 118.2 | ||||
| 55 | E | 29.5 | Very low | 30.1 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | cis | 78.8 | 108.5 | 32.1 | -59.5 | -176 | 159.6 | 0 | 0 | 116.2 | ||||
| 56 | V | 30.6 | Very low | 30.4 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -149.6 | 117.4 | 143.4 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 57 | D | 27.7 | Very low | 30.8 | Very low | 127 Ų | 127 | 155.8 Ų | 155.8 | 68% | 0.679 | 80% | 0.798 | S | S | * | * | trans | -84.9 | 158.6 | 177.1 | -50.9 | -85.9 | 0 | 0 | 0 | 113.2 | ||||
| 58 | V | 32 | Very low | 31 | Very low | 151 Ų | 151 | 154.6 Ų | 154.6 | 92% | 0.915 | 80% | 0.796 | S | S | * | * | trans | -139.1 | 112.9 | 151.5 | -178 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 59 | D | 30.4 | Very low | 30.6 | Very low | 136 Ų | 136 | 154.7 Ų | 154.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -113.8 | -172.4 | -174.7 | -136.4 | -36.1 | 0 | 0 | 0 | 111.1 | ||||
| 60 | E | 31.3 | Very low | 30.7 | Very low | 186 Ų | 186 | 153 Ų | 153 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 73.5 | 106.6 | -178.4 | -52.6 | -167.3 | 147.2 | 0 | 0 | 114.3 | ||||
| 61 | D | 29.1 | Very low | 31 | Very low | 148 Ų | 148 | 154.8 Ų | 154.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | cis | 103.7 | 161.2 | 23.8 | -153.3 | -88.1 | 0 | 0 | 0 | 114.3 | ||||
| 62 | E | 29.5 | Very low | 31.9 | Very low | 188 Ų | 188 | 159.6 Ų | 159.6 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | 51.9 | 136.6 | -165.6 | -65 | -134.3 | 128.7 | 0 | 0 | 118.5 | ||||
| 63 | G | 27.7 | Very low | 32.4 | Very low | 66 Ų | 66 | 159.5 Ų | 159.5 | 68% | 0.68 | 82% | 0.816 | S | S | * | * | cis | 157.5 | 175.6 | -5.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 64 | R | 31.4 | Very low | 33.1 | Very low | 237 Ų | 237 | 160.7 Ų | 160.7 | 89% | 0.894 | 82% | 0.822 | S | S | * | * | trans | 90.6 | 84.3 | 159.5 | -154.4 | 176.5 | -163.5 | 144.6 | 2.7 | 120.6 | ||||
| 65 | K | 32.2 | Very low | 33.6 | Very low | 195 Ų | 195 | 159.4 Ų | 159.4 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | 43 | 118.9 | 124.6 | -59.1 | 177.2 | -177.7 | 179.5 | 0 | 119.7 | |||||
| 66 | K | 32.3 | Very low | 34.5 | Very low | 213 Ų | 213 | 159.5 Ų | 159.5 | 93% | 0.926 | 83% | 0.829 | S | S | * | * | trans | -162.4 | 112.3 | 132.6 | -114.2 | 172.1 | -175.1 | 179.8 | 0 | 113.1 | ||||
| 67 | E | 34.1 | Very low | 34.8 | Very low | 189 Ų | 189 | 161 Ų | 161 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | trans | -114.6 | 145.2 | 151.6 | -68.8 | -170.7 | 149.6 | 0 | 0 | 107.9 | ||||
| 68 | L | 35.9 | Very low | 35 | Very low | 159 Ų | 159 | 162.7 Ų | 162.7 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | 158.2 | 112.2 | 154.6 | -94 | 165.1 | 0 | 0 | 0 | 110.6 | ||||
| 69 | S | 35.7 | Very low | 35.1 | Very low | 110 Ų | 110 | 161.6 Ų | 161.6 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | 174.6 | 83.6 | 137.2 | 63 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 70 | D | 32.7 | Very low | 35.4 | Very low | 134 Ų | 134 | 163.5 Ų | 163.5 | 72% | 0.717 | 82% | 0.819 | S | S | * | * | 39.1 | 108.8 | 128.6 | -44.6 | -15.4 | 0 | 0 | 0 | 120.2 | |||||
| 71 | D | 34 | Very low | 35.8 | Very low | 159 Ų | 159 | 164.2 Ų | 164.2 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | 34.9 | 89.6 | 118.9 | -64.3 | -22 | 0 | 0 | 0 | 119.9 | |||||
| 72 | L | 43.3 | Very low | 36.4 | Very low | 162 Ų | 162 | 166.7 Ų | 166.7 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -143.7 | 132.3 | 143.2 | -83.6 | -173.8 | 0 | 0 | 0 | 112.7 | ||||
| 73 | N | 40 | Very low | 36.7 | Very low | 158 Ų | 158 | 167.4 Ų | 167.4 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | 101.8 | 54.6 | 166.9 | -53.4 | -68.6 | 0 | 0 | 0 | 119.7 | ||||
| 74 | D | 44.6 | Very low | 37.1 | Very low | 161 Ų | 161 | 173.8 Ų | 173.8 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -129 | 67.2 | 145.4 | -165.1 | 11.1 | 0 | 0 | 0 | 112.8 | ||||
| 75 | L | 41.3 | Very low | 37.2 | Very low | 156 Ų | 156 | 172.3 Ų | 172.3 | 82% | 0.817 | 83% | 0.833 | S | S | * | * | trans | -143.5 | 92.3 | 164.5 | -89.4 | -179 | 0 | 0 | 0 | 110.8 | ||||
| 76 | N | 48.7 | Very low | 37.5 | Very low | 169 Ų | 169 | 172.3 Ų | 172.3 | 90% | 0.904 | 83% | 0.833 | S | S | * | * | trans | -146.4 | 79.4 | 152.9 | -115 | -53.8 | 0 | 0 | 0 | 111.2 | F78 | N76-F78 PolarHBondContact O-N 3.41Š| ||
| 77 | F | 37.3 | Very low | 37.8 | Very low | 177 Ų | 177 | 168 Ų | 168 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | trans | -77.1 | 110 | -167.1 | -171.2 | -94.2 | 0 | 0 | 0 | 113.3 | N79 | F77-N79 PolarHBondContact O-N 3.18Š| ||
| 78 | F | 32.6 | Very low | 38 | Very low | 162 Ų | 162 | 168.1 Ų | 168.1 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | 33.1 | 78.6 | 132.2 | -160.4 | -89.9 | 0 | 0 | 0 | 117.5 | N76 | N76-F78 PolarHBondContact O-N 3.41Š| ||
| 79 | N | 33 | Very low | 37.9 | Very low | 129 Ų | 129 | 170.3 Ų | 170.3 | 69% | 0.69 | 83% | 0.827 | S | S | * | * | trans | -176.1 | 121.4 | 136.9 | -108.1 | -53.8 | 0 | 0 | 0 | 115.1 | F77 | F77-N79 PolarHBondContact O-N 3.18Š| ||
| 80 | Q | 37.7 | Very low | 37.6 | Very low | 175 Ų | 175 | 171.9 Ų | 171.9 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | 177.8 | 118.5 | 110.7 | -97.6 | 177.7 | 87.7 | 0 | 0 | 112.8 | |||||
| 81 | K | 39 | Very low | 37.3 | Very low | 202 Ų | 202 | 175.4 Ų | 175.4 | 88% | 0.878 | 84% | 0.836 | S | S | * | * | trans | -91.6 | 123.3 | 161.4 | -70.6 | 171.9 | -179.5 | 165.5 | 0 | 109.4 | ||||
| 82 | K | 40.7 | Very low | 37.1 | Very low | 199 Ų | 199 | 171 Ų | 171 | 87% | 0.865 | 83% | 0.828 | S | S | * | * | trans | -157.8 | 157.7 | 155.2 | -107.4 | 148.3 | -170.7 | 176.2 | 0 | 112 | ||||
| 83 | K | 37.4 | Very low | 36.5 | Very low | 203 Ų | 203 | 171.2 Ų | 171.2 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -102.6 | 145.8 | -165.3 | -53.7 | 168.4 | -178.5 | 172.7 | 0 | 112.5 | ||||
| 84 | K | 34.7 | Very low | 36.1 | Very low | 200 Ų | 200 | 171.9 Ų | 171.9 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | trans | -172.6 | 117.4 | 143.5 | -98.3 | 148.8 | -175 | -175.8 | 0 | 108 | ||||
| 85 | K | 33.7 | Very low | 35.4 | Very low | 206 Ų | 206 | 171.2 Ų | 171.2 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | 78.5 | 130 | 91.4 | -87.6 | -164.8 | 173.4 | -173.2 | 0 | 114.3 | |||||
| 86 | K | 38.6 | Very low | 35.1 | Very low | 196 Ų | 196 | 171.3 Ų | 171.3 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | trans | -75.5 | 162 | 176.7 | -55.1 | 179.7 | 178.1 | -175.6 | 0 | 112.1 | ||||
| 87 | P | 39.3 | Very low | 34.4 | Very low | 123 Ų | 123 | 170.5 Ų | 170.5 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | trans | -107.6 | 160 | 131.8 | 34.8 | -30.5 | 0 | 0 | 0 | 112.1 | ||||
| 88 | K | 38.3 | Very low | 34.3 | Very low | 190 Ų | 190 | 171 Ų | 171 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | trans | -99.4 | 155.2 | 158.2 | -64.2 | 179.6 | 178.9 | -178.5 | 0 | 108.1 | ||||
| 89 | K | 33.1 | Very low | 34.3 | Very low | 205 Ų | 205 | 173.1 Ų | 173.1 | 89% | 0.891 | 84% | 0.843 | S | S | * | * | trans | -151.5 | 140.7 | 143.5 | -108.8 | -176.3 | 179.6 | -172.9 | 0 | 109.3 | ||||
| 90 | N | 29.6 | Very low | 34.3 | Very low | 143 Ų | 143 | 170.2 Ų | 170.2 | 77% | 0.765 | 84% | 0.844 | S | S | * | * | trans | -96.9 | 142.1 | 166.8 | -63.1 | 10.7 | 0 | 0 | 0 | 107.8 | ||||
| 91 | F | 26.8 | Very low | 33.9 | Very low | 208 Ų | 208 | 170.3 Ų | 170.3 | 91% | 0.912 | 85% | 0.849 | S | S | * | * | trans | -170.7 | 127.4 | 149.9 | -106.1 | -78.6 | 0 | 0 | 0 | 104.6 | ||||
| 92 | G | 30.1 | Very low | 33.6 | Very low | 67 Ų | 67 | 170.6 Ų | 170.6 | 69% | 0.691 | 85% | 0.85 | S | S | * | * | cis | 106.5 | 58.1 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 93 | L | 29.9 | Very low | 33.2 | Very low | 166 Ų | 166 | 169.8 Ų | 169.8 | 87% | 0.869 | 85% | 0.849 | S | S | * | * | trans | -147.9 | 113.3 | 168.4 | -172.3 | 63.1 | 0 | 0 | 0 | 108.6 | ||||
| 94 | E | 32.2 | Very low | 33 | Very low | 172 Ų | 172 | 168.1 Ų | 168.1 | 80% | 0.804 | 85% | 0.85 | S | S | * | * | trans | -98.1 | 178.6 | 160.2 | -68.7 | 169.5 | 130.2 | 0 | 0 | 108 | ||||
| 95 | N | 30.1 | Very low | 32.9 | Very low | 148 Ų | 148 | 167.1 Ų | 167.1 | 79% | 0.791 | 85% | 0.845 | S | S | * | * | trans | 93.8 | 159.5 | 179 | -50.7 | -10.3 | 0 | 0 | 0 | 116.6 | ||||
| 96 | D | 33.8 | Very low | 32.7 | Very low | 158 Ų | 158 | 164.2 Ų | 164.2 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | S | Bend | trans | 74.1 | 39.9 | 168.9 | -53.7 | -26.9 | 0 | 0 | 0 | 119.8 | ||
| 97 | V | 33.8 | Very low | 32.3 | Very low | 151 Ų | 151 | 163 Ų | 163 | 92% | 0.915 | 84% | 0.835 | S | S | * | * | trans | -144.2 | 61.7 | 145.5 | -161.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 98 | E | 35.4 | Very low | 31.7 | Very low | 187 Ų | 187 | 160.5 Ų | 160.5 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -142 | 66.6 | 164.1 | -163.8 | 173.9 | -164.9 | 0 | 0 | 112.1 | ||||
| 99 | E | 33.4 | Very low | 31.3 | Very low | 207 Ų | 207 | 159.6 Ų | 159.6 | 97% | 0.967 | 83% | 0.831 | S | S | * | * | trans | -148.5 | 113.1 | 164.6 | -128 | 174.5 | -155.6 | 0 | 0 | 109.8 | ||||
| 100 | G | 31.9 | Very low | 31.2 | Very low | 69 Ų | 69 | 157 Ų | 157 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | S | Bend | trans | 161.8 | 101.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 101 | L | 30.1 | Very low | 31.1 | Very low | 177 Ų | 177 | 155.6 Ų | 155.6 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | trans | 61 | 83.6 | 168.5 | -80.8 | 65.2 | 0 | 0 | 0 | 117 | ||||
| 102 | K | 31.8 | Very low | 31.2 | Very low | 207 Ų | 207 | 155 Ų | 155 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | trans | -123.5 | 84.5 | 145.1 | -88.9 | -176.6 | 179.1 | 165.6 | 0 | 110.4 | ||||
| 103 | E | 32.9 | Very low | 31.4 | Very low | 182 Ų | 182 | 156.1 Ų | 156.1 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -133.6 | 140.1 | 155.7 | -64.8 | -168.6 | 134.8 | 0 | 0 | 106.1 | ||||
| 104 | L | 32.7 | Very low | 32.1 | Very low | 169 Ų | 169 | 154 Ų | 154 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | cis | -119.7 | 167.3 | 22.1 | -68.5 | 159.1 | 0 | 0 | 0 | 113.8 | ||||
| 105 | K | 32.2 | Very low | 31.9 | Very low | 179 Ų | 179 | 155.4 Ų | 155.4 | 78% | 0.778 | 82% | 0.824 | S | S | * | * | trans | -89.2 | 165.1 | 173.6 | -68.2 | 177 | 175.1 | 178.4 | 0 | 112.7 | ||||
| 106 | I | 29.9 | Very low | 31.9 | Very low | 145 Ų | 145 | 157.1 Ų | 157.1 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | 173.6 | 99.7 | 124 | -86.9 | 154.8 | 0 | 0 | 0 | 105 | |||||
| 107 | E | 30 | Very low | 31.8 | Very low | 169 Ų | 169 | 156.4 Ų | 156.4 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | 66.5 | 130 | 100.9 | -66.5 | 165.3 | -160.1 | 0 | 0 | 113.5 | |||||
| 108 | G | 28.2 | Very low | 31.8 | Very low | 71 Ų | 71 | 156 Ų | 156 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | cis | -155.2 | 145.5 | -7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 109 | E | 30.3 | Very low | 31.6 | Very low | 172 Ų | 172 | 155.4 Ų | 155.4 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | 82.4 | 142.7 | 96.2 | -171.9 | 169.5 | 145.4 | 0 | 0 | 115.9 | |||||
| 110 | Q | 30.1 | Very low | 31.6 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | 85.2 | 98.3 | 164.3 | -92.1 | 166.1 | 65.8 | 0 | 0 | 121.7 | ||||
| 111 | T | 28.3 | Very low | 31.6 | Very low | 112 Ų | 112 | 155.5 Ų | 155.5 | 69% | 0.687 | 81% | 0.808 | S | S | * | * | 68.4 | 123.4 | 125.1 | 50.4 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 112 | E | 29 | Very low | 31.9 | Very low | 196 Ų | 196 | 154.1 Ų | 154.1 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | 72 | 176.6 | 143.7 | -62 | -173.4 | -170.7 | 0 | 0 | 118.5 | ||||
| 113 | A | 33.5 | Very low | 32.1 | Very low | 91 Ų | 91 | 151.9 Ų | 151.9 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -145.3 | -170.9 | -150.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 114 | P | 43.9 | Very low | 32.5 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | -124.4 | 131.1 | -70.3 | 34.3 | -20.6 | 0 | 0 | 0 | 111.9 | |||||
| 115 | E | 29.2 | Very low | 32.7 | Very low | 203 Ų | 203 | 146.1 Ų | 146.1 | 95% | 0.949 | 79% | 0.786 | S | S | * | * | trans | -133 | 164.7 | 173.4 | -67.4 | -163.2 | 151.5 | 0 | 0 | 112.6 | ||||
| 116 | E | 30.4 | Very low | 32.9 | Very low | 184 Ų | 184 | 147.8 Ų | 147.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -104.8 | 151.3 | -160.9 | -57.4 | 179.6 | 145.3 | 0 | 0 | 113.5 | ||||
| 117 | D | 29.8 | Very low | 33.2 | Very low | 142 Ų | 142 | 150 Ų | 150 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | 50.5 | 121 | 155.7 | -65.3 | -6.5 | 0 | 0 | 0 | 123 | ||||
| 118 | N | 33.8 | Very low | 33.4 | Very low | 142 Ų | 142 | 151.7 Ų | 151.7 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | 108.3 | 114 | 144.7 | -55 | -68.2 | 0 | 0 | 0 | 120.8 | ||||
| 119 | L | 31.6 | Very low | 33.6 | Very low | 175 Ų | 175 | 157.6 Ų | 157.6 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | -124.8 | 120.8 | 122.7 | -75.1 | 87.5 | 0 | 0 | 0 | 105.2 | |||||
| 120 | D | 33.3 | Very low | 34 | Very low | 117 Ų | 117 | 155.5 Ų | 155.5 | 63% | 0.626 | 81% | 0.81 | S | S | * | * | cis | 82.2 | 156.1 | 47.5 | -163.3 | 37.2 | 0 | 0 | 0 | 114.5 | ||||
| 121 | L | 33.3 | Very low | 34.1 | Very low | 161 Ų | 161 | 158.4 Ų | 158.4 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | 98.4 | 66.7 | -165.5 | -61 | 166.3 | 0 | 0 | 0 | 113.4 | ||||
| 122 | M | 35.3 | Very low | 34.3 | Very low | 148 Ų | 148 | 162 Ų | 162 | 73% | 0.729 | 83% | 0.826 | S | S | * | * | 85 | 115.2 | 53.9 | -170 | -156.4 | -114 | 0 | 0 | 113.4 | |||||
| 123 | L | 37 | Very low | 34.3 | Very low | 161 Ų | 161 | 159.7 Ų | 159.7 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | trans | 172.6 | 157.2 | 146.2 | -96.3 | 165.7 | 0 | 0 | 0 | 110.4 | ||||
| 124 | P | 41.6 | Very low | 34.1 | Very low | 119 Ų | 119 | 162.3 Ų | 162.3 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | -113.3 | 160.2 | -94.8 | 39.4 | -34.2 | 0 | 0 | 0 | 115.4 | |||||
| 125 | S | 36.1 | Very low | 33.3 | Very low | 110 Ų | 110 | 166.6 Ų | 166.6 | 77% | 0.769 | 83% | 0.833 | S | S | * | * | trans | -92.5 | 147.8 | -179.8 | 67.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 126 | K | 35.8 | Very low | 33.2 | Very low | 214 Ų | 214 | 163.3 Ų | 163.3 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -155 | 132.6 | 151 | -113 | 157.2 | -171.5 | 169.8 | 0 | 111.9 | ||||
| 127 | K | 36.9 | Very low | 33 | Very low | 193 Ų | 193 | 163 Ų | 163 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -92.7 | 151.7 | -173 | -57.5 | 167.2 | 180 | 173.1 | 0 | 111.4 | ||||
| 128 | K | 33.1 | Very low | 32.9 | Very low | 203 Ų | 203 | 159.6 Ų | 159.6 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | -179 | 129.4 | 124.3 | -98.1 | 156 | -174.2 | -179.2 | 0 | 114.9 | |||||
| 129 | K | 34 | Very low | 32.6 | Very low | 196 Ų | 196 | 161.9 Ų | 161.9 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | trans | 20 | 138.9 | 153.8 | -61.1 | -172.6 | 176 | -173.4 | 0 | 121.7 | ||||
| 130 | P | 39.1 | Very low | 32.6 | Very low | 128 Ų | 128 | 156.7 Ų | 156.7 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | trans | -80.5 | 161 | 172.3 | 35.8 | -36.6 | 0 | 0 | 0 | 113.9 | ||||
| 131 | K | 30.6 | Very low | 32.5 | Very low | 212 Ų | 212 | 158.8 Ų | 158.8 | 92% | 0.922 | 82% | 0.818 | S | S | * | * | trans | -137.7 | 148.5 | 162 | -108.7 | -171.8 | 173.3 | -170.7 | 0 | 108.8 | ||||
| 132 | K | 32.4 | Very low | 32.5 | Very low | 188 Ų | 188 | 160.4 Ų | 160.4 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -88.4 | 151.3 | 169.4 | -57.4 | -178.7 | 176.6 | -169.5 | 0 | 110.5 | ||||
| 133 | V | 30 | Very low | 32.6 | Very low | 147 Ų | 147 | 160.3 Ų | 160.3 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | -162.2 | 148.4 | 129.5 | -99 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 134 | D | 29.6 | Very low | 32.1 | Very low | 145 Ų | 145 | 160.6 Ų | 160.6 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | trans | -98.4 | 151.1 | 176.5 | -41.3 | -102.3 | 0 | 0 | 0 | 109.6 | ||||
| 135 | F | 26.1 | Very low | 31.7 | Very low | 211 Ų | 211 | 160.1 Ų | 160.1 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -157.3 | 167.7 | 149.9 | -144.5 | -103.5 | 0 | 0 | 0 | 112.1 | ||||
| 136 | D | 26.9 | Very low | 31.5 | Very low | 134 Ų | 134 | 159.9 Ų | 159.9 | 72% | 0.717 | 82% | 0.815 | S | S | * | * | trans | -139 | 172.9 | -163.5 | -167 | -171.2 | 0 | 0 | 0 | 111.3 | ||||
| 137 | E | 26.7 | Very low | 31.6 | Very low | 176 Ų | 176 | 157.4 Ų | 157.4 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 66.7 | 134.3 | 156.1 | -160.6 | 169 | -145.7 | 0 | 0 | 121.6 | ||||
| 138 | G | 27.8 | Very low | 31.6 | Very low | 72 Ų | 72 | 158 Ų | 158 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 77.7 | 154 | 150 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 139 | E | 27.6 | Very low | 31.7 | Very low | 189 Ų | 189 | 155.6 Ų | 155.6 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | cis | -159.3 | 165.3 | -15.1 | -149.7 | -158.4 | 138.5 | 0 | 0 | 110.4 | ||||
| 140 | A | 30.8 | Very low | 31.6 | Very low | 66 Ų | 66 | 153 Ų | 153 | 55% | 0.545 | 81% | 0.809 | S | S | . | * | trans | 23.4 | 130.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 141 | L | 31.9 | Very low | 31.4 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | 66.5 | 156.9 | 135.7 | -65.9 | 171 | 0 | 0 | 0 | 117.6 | ||||
| 142 | E | 33.6 | Very low | 31.8 | Very low | 196 Ų | 196 | 148 Ų | 148 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | cis | -121.4 | -170.4 | 31.6 | -60.7 | -168.4 | 119.2 | 0 | 0 | 116.2 | ||||
| 143 | K | 36.1 | Very low | 32.6 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 64% | 0.635 | 79% | 0.79 | S | S | * | * | trans | -141.2 | 141.1 | -167.4 | 168.3 | -176.4 | -173.3 | -80 | 0 | 108 | D145 | K143-D145 IonicContact NZ-OD1 2.69Å; K143-D145 PolarHBondContact NZ-OD1 3.26Å; K143-D145 IonicContact NZ-OD2 2.6Å; K143-D145 PolarHBondContact NZ-OD2 3.31Å | ||
| 144 | D | 27.5 | Very low | 33 | Very low | 167 Ų | 167 | 148.6 Ų | 148.6 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -146.3 | 147 | 161.5 | -120.2 | -28.5 | 0 | 0 | 0 | 110.1 | ||||
| 145 | D | 32.6 | Very low | 33.3 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 58% | 0.578 | 79% | 0.788 | S | S | * | * | trans | -106.6 | 145.9 | -162.8 | -62.4 | -92.2 | 0 | 0 | 0 | 114.2 | K143 | K143-D145 IonicContact NZ-OD1 2.69Å; K143-D145 PolarHBondContact NZ-OD1 3.26Å; K143-D145 IonicContact NZ-OD2 2.6Å; K143-D145 PolarHBondContact NZ-OD2 3.31Å | ||
| 146 | A | 32.4 | Very low | 33.8 | Very low | 105 Ų | 105 | 144.7 Ų | 144.7 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -148 | 118.8 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 147 | L | 38.4 | Very low | 34.2 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -103.3 | 133.9 | 179.1 | -67.6 | 164.5 | 0 | 0 | 0 | 110.1 | ||||
| 148 | E | 37.4 | Very low | 35.1 | Very low | 206 Ų | 206 | 141 Ų | 141 | 96% | 0.963 | 78% | 0.781 | S | S | * | * | trans | -135.2 | 157.3 | 143.7 | -73.9 | -159.5 | 145.2 | 0 | 0 | 108.7 | ||||
| 149 | D | 34 | Very low | 35.5 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -130.3 | 125.7 | -154.2 | 177.9 | 34.3 | 0 | 0 | 0 | 111.3 | ||||
| 150 | D | 31.2 | Very low | 36.2 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -157.4 | 81.3 | 165 | -174.4 | 35.4 | 0 | 0 | 0 | 110.9 | S152 | D150-S152 PolarHBondContact OD1-OG 2.85Š| ||
| 151 | D | 35.8 | Very low | 36.7 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -95.6 | 97.2 | 168.5 | -163.5 | -33.3 | 0 | 0 | 0 | 111 | ||||
| 152 | S | 39 | Very low | 37.5 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | trans | -120 | 66.3 | 178 | -77.4 | 0 | 0 | 0 | 0 | 113.2 | D150 | D150-S152 PolarHBondContact OD1-OG 2.85Š| ||
| 153 | K | 49 | Very low | 38.1 | Very low | 177 Ų | 177 | 136.2 Ų | 136.2 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 51.7 | 113.7 | 145.8 | -59.4 | 168.8 | -175.2 | 164.5 | 0 | 117.9 | ||||
| 154 | N | 38.1 | Very low | 38.8 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 92% | 0.92 | 77% | 0.768 | S | S | * | * | -161.4 | 117.3 | 125.2 | -95.7 | -48 | 0 | 0 | 0 | 110.6 | |||||
| 155 | N | 37.3 | Very low | 40.2 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | trans | -128 | 175.2 | 166.2 | -170.2 | 28.8 | 0 | 0 | 0 | 109 | ||||
| 156 | D | 35.3 | Very low | 41.7 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | 72.8 | 55 | 166 | -52.7 | -52 | 0 | 0 | 0 | 115.6 | ||||
| 157 | G | 34.9 | Very low | 43 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | -120 | 3.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S159 | G157-S159 VanDerWaalsContact C-N 3.34Å; G157-S159 PolarHBondContact O-N 3.21Å | ||
| 158 | I | 46.1 | Very low | 44 | Very low | 164 Ų | 164 | 124 Ų | 124 | 84% | 0.841 | 71% | 0.709 | S | S | * | * | trans | -78.7 | 83.4 | -176.9 | -59 | 176.9 | 0 | 0 | 0 | 109.8 | F160 | I158-F160 PolarHBondContact O-N 3.02Š| ||
| 159 | S | 36 | Very low | 44.9 | Very low | 94 Ų | 94 | 118.4 Ų | 118.4 | 66% | 0.657 | 70% | 0.698 | S | S | * | * | trans | -68 | 112.4 | 169.1 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | G157 I161 | G157-S159 VanDerWaalsContact C-N 3.34Å; G157-S159 PolarHBondContact O-N 3.21Å; S159-I161 PolarHBondContact O-N 3.1Å | ||
| 160 | F | 42.1 | Very low | 46.2 | Very low | 190 Ų | 190 | 114.9 Ų | 114.9 | 83% | 0.833 | 70% | 0.697 | S | S | * | * | trans | -69.5 | 73.6 | 171.9 | 175.2 | -102.4 | 0 | 0 | 0 | 110.1 | I158 S162 | I158-F160 PolarHBondContact O-N 3.02Å; F160-S162 PolarHBondContact O-N 3.11Å | ||
| 161 | I | 41.8 | Very low | 48 | Very low | 125 Ų | 125 | 112 Ų | 112 | 64% | 0.641 | 69% | 0.685 | S | S | * | * | trans | -82.3 | 103.4 | 167.7 | -69.2 | -177.1 | 0 | 0 | 0 | 107.6 | S159 S163 | S159-I161 PolarHBondContact O-N 3.1Å; I161-S163 PolarHBondContact O-N 3.3Å | ||
| 162 | S | 49.7 | Very low | 49.3 | Very low | 97 Ų | 97 | 115.5 Ų | 115.5 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | trans | -73.8 | 67.8 | 169.7 | -164 | 0 | 0 | 0 | 0 | 110.3 | F160 | F160-S162 PolarHBondContact O-N 3.11Š| ||
| 163 | S | 45 | Very low | 51.1 | Low | 76 Ų | 76 | 119.6 Ų | 119.6 | 53% | 0.531 | 70% | 0.698 | S | S | . | * | trans | -103.5 | 99.1 | 168.9 | 61.4 | 0 | 0 | 0 | 0 | 109.3 | I161 G165 | I161-S163 PolarHBondContact O-N 3.3Å; S163-G165 PolarHBondContact O-N 3.21Å | ||
| 164 | T | 51.7 | Low | 52.5 | Low | 156 Ų | 156 | 118.4 Ų | 118.4 | 96% | 0.957 | 70% | 0.7 | S | S | * | * | trans | -74.7 | 46.1 | 169.9 | 43.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 165 | G | 56.8 | Low | 54.5 | Low | 36 Ų | 36 | 115.7 Ų | 115.7 | 37% | 0.371 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -140.1 | 158.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | S163 | S163-G165 PolarHBondContact O-N 3.21Š|
| 166 | P | 64.3 | Low | 56.8 | Low | 81 Ų | 81 | 112.8 Ų | 112.8 | 53% | 0.526 | 67% | 0.665 | S | S | . | * | trans | -58.1 | 148.8 | 177.8 | -22.8 | 33.7 | 0 | 0 | 0 | 111.7 | W168 A169 | P166-W168 PolarHBondContact O-N 3.27Å; P166-A169 WeakPolarHBondContact O-CB 3.4Å; P166-A169 PolarHBondContact O-N 2.9Å | ||
| 167 | A | 59.1 | Low | 59.4 | Low | 99 Ų | 99 | 114.2 Ų | 114.2 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 14.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 168 | W | 59.8 | Low | 62 | Low | 60 Ų | 60 | 115.7 Ų | 115.7 | 23% | 0.227 | 65% | 0.652 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -118.4 | -1.3 | -178.5 | -58 | 75.4 | 0 | 0 | 0 | 111.8 | P166 G170 R173 Y175 E179 | P166-W168 PolarHBondContact O-N 3.27Å; W168-G170 VanDerWaalsContact C-N 3.31Å; W168-G170 PolarHBondContact O-N 3.47Å; W168-R173 HydrophobicContact CE3-CB 4.48Å; W168-R173 HydrophobicContact CZ3-CB 4.1Å; W168-R173 HydrophobicContact CZ3-CG 4.02Å; W168-Y175 HydrophobicContact CB-CD1 4.42Å; W168-Y175 HydrophobicContact CB-CE1 3.65Å; W168-Y175 AromaticContact CD2-CD1 3.82Å; W168-Y175 HydrophobicContact CD2-CD1 3.82Å; W168-Y175 AromaticContact CD2-CE1 3.94Å; W168-Y175 HydrophobicContact CD2-CE1 3.94Å; W168-Y175 AromaticContact CE3-CD1 3.42Å; W168-Y175 HydrophobicContact CE3-CD1 3.42Å; W168-Y175 VanDerWaalsContact CE3-CD1 3.42Å; W168-Y175 AromaticContact CE3-CE1 3.7Å; W168-Y175 HydrophobicContact CE3-CE1 3.7Å; W168-Y175 HydrophobicContact CE3-CG 4.26Å; W168-Y175 HydrophobicContact CG-CD1 4.22Å; W168-Y175 AromaticContact CG-CE1 3.92Å; W168-Y175 HydrophobicContact CG-CE1 3.92Å; W168-Y175 HydrophobicContact CZ3-CD1 4.04Å; W168-E179 VanDerWaalsContact CH2-OE2 3.24Å; W168-E179 WeakPolarHBondContact CH2-OE2 3.45Å; W168-E179 HydrophobicContact CZ2-CG 4.36Å; W168-E179 WeakPolarHBondContact CZ2-OE1 3.33Å; W168-E179 VanDerWaalsContact CZ2-OE2 3.31Å; W168-E179 WeakPolarHBondContact CZ2-OE2 3.47Å |
| 169 | A | 55.5 | Low | 64 | Low | 89 Ų | 89 | 111.1 Ų | 111.1 | 74% | 0.736 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 77.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P166 | P166-A169 WeakPolarHBondContact O-CB 3.4Å; P166-A169 PolarHBondContact O-N 2.9Å |
| 170 | G | 62.8 | Low | 66.5 | Low | 78 Ų | 78 | 110.9 Ų | 110.9 | 80% | 0.804 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 137.4 | 2.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | W168 | W168-G170 VanDerWaalsContact C-N 3.31Å; W168-G170 PolarHBondContact O-N 3.47Å |
| 171 | T | 67.9 | Low | 68.8 | Low | 80 Ų | 80 | 104.4 Ų | 104.4 | 49% | 0.491 | 59% | 0.592 | S | S | . | * | trans | -117.7 | 126 | 177.2 | 44.9 | 0 | 0 | 0 | 0 | 110.7 | R173 | T171-R173 PolarHBondContact O-N 3.43Š| ||
| 172 | E | 63.1 | Low | 71.1 | Confident | 215 Ų | 215 | 102.5 Ų | 102.5 | 100% | 1.005 | 58% | 0.583 | S | S | * | * | trans | -77.1 | 52.3 | 173.8 | -63.2 | -171.4 | 138.2 | 0 | 0 | 111.3 | ||||
| 173 | R | 77.4 | Confident | 72.8 | Confident | 180 Ų | 180 | 104.3 Ų | 104.3 | 68% | 0.679 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 132.6 | 177.7 | -171.9 | 176 | -174.3 | 131.8 | 3.3 | 109.8 | W168 T171 Y175 | W168-R173 HydrophobicContact CE3-CB 4.48Å; W168-R173 HydrophobicContact CZ3-CB 4.1Å; W168-R173 HydrophobicContact CZ3-CG 4.02Å; T171-R173 PolarHBondContact O-N 3.43Å; R173-Y175 PolarHBondContact O-N 3.33Å |
| 174 | D | 77.9 | Confident | 74.9 | Confident | 151 Ų | 151 | 105.1 Ų | 105.1 | 81% | 0.807 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 121.2 | 170.8 | -68.6 | -50 | 0 | 0 | 0 | 110.7 | ||
| 175 | Y | 79.6 | Confident | 76.5 | Confident | 115 Ų | 115 | 102 Ų | 102 | 45% | 0.451 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 137.6 | 178.1 | -59.2 | -84.8 | 0 | 0 | 0 | 110.9 | W168 R173 L180 | W168-Y175 HydrophobicContact CB-CD1 4.42Å; W168-Y175 HydrophobicContact CB-CE1 3.65Å; W168-Y175 AromaticContact CD2-CD1 3.82Å; W168-Y175 HydrophobicContact CD2-CD1 3.82Å; W168-Y175 AromaticContact CD2-CE1 3.94Å; W168-Y175 HydrophobicContact CD2-CE1 3.94Å; W168-Y175 AromaticContact CE3-CD1 3.42Å; W168-Y175 HydrophobicContact CE3-CD1 3.42Å; W168-Y175 VanDerWaalsContact CE3-CD1 3.42Å; W168-Y175 AromaticContact CE3-CE1 3.7Å; W168-Y175 HydrophobicContact CE3-CE1 3.7Å; W168-Y175 HydrophobicContact CE3-CG 4.26Å; W168-Y175 HydrophobicContact CG-CD1 4.22Å; W168-Y175 AromaticContact CG-CE1 3.92Å; W168-Y175 HydrophobicContact CG-CE1 3.92Å; W168-Y175 HydrophobicContact CZ3-CD1 4.04Å; R173-Y175 PolarHBondContact O-N 3.33Å; Y175-L180 VanDerWaalsContact CB-CD1 3.44Å; Y175-L180 HydrophobicContact CG-CD1 4.46Å |
| 176 | T | 86.8 | Confident | 77.9 | Confident | 70 Ų | 70 | 103.8 Ų | 103.8 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -80.6 | 151.4 | 173.5 | 74.4 | 0 | 0 | 0 | 0 | 111.4 | D178 E179 L180 | T176-D178 VanDerWaalsContact C-N 3.25Å; T176-D178 PolarHBondContact O-N 2.9Å; T176-D178 VanDerWaalsContact O-N 3.16Å; T176-E179 VanDerWaalsContact CB-OE2 3.3Å; T176-E179 WeakPolarHBondContact CB-OE2 3.38Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.4Å; T176-E179 PolarHBondContact N-OE2 2.98Å; T176-E179 WeakPolarHBondContact O-CB 3.38Å; T176-E179 PolarHBondContact O-N 2.81Å; T176-E179 WeakPolarHBondContact OG1-CG 3.37Å; T176-E179 PolarHBondContact OG1-OE2 3.1Å; T176-L180 WeakPolarHBondContact O-CD1 3.28Å; T176-L180 PolarHBondContact O-N 3.38Å |
| 177 | Y | 89.9 | Confident | 78.8 | Confident | 174 Ų | 174 | 103 Ų | 103 | 68% | 0.682 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -51.1 | -43.2 | -176.2 | 173.7 | -99.6 | 0 | 0 | 0 | 113.3 | E179 L180 L181 | Y177-E179 VanDerWaalsContact C-N 3.27Å; Y177-E179 PolarHBondContact O-N 2.85Å; Y177-L180 PolarHBondContact O-N 2.88Å; Y177-L181 HydrophobicContact CE1-CD1 3.68Å; Y177-L181 VanDerWaalsContact O-CB 3.3Å; Y177-L181 WeakPolarHBondContact O-CB 3.32Å; Y177-L181 PolarHBondContact O-N 2.99Å |
| 178 | D | 89.1 | Confident | 79.8 | Confident | 99 Ų | 99 | 101.8 Ų | 101.8 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -25.9 | -178.2 | -61.8 | -46 | 0 | 0 | 0 | 112.8 | T176 N182 | T176-D178 VanDerWaalsContact C-N 3.25Å; T176-D178 PolarHBondContact O-N 2.9Å; T176-D178 VanDerWaalsContact O-N 3.16Å; D178-N182 VanDerWaalsContact O-CB 3.29Å; D178-N182 WeakPolarHBondContact O-CB 3.42Å; D178-N182 PolarHBondContact O-N 2.84Å; D178-N182 PolarHBondContact O-ND2 2.88Å |
| 179 | E | 87.1 | Confident | 80.8 | Confident | 69 Ų | 69 | 104.3 Ų | 104.3 | 32% | 0.322 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77.9 | -39.5 | 176.4 | -69.3 | 153.5 | 161.7 | 0 | 0 | 111.6 | W168 T176 Y177 L181 R183 | W168-E179 VanDerWaalsContact CH2-OE2 3.24Å; W168-E179 WeakPolarHBondContact CH2-OE2 3.45Å; W168-E179 HydrophobicContact CZ2-CG 4.36Å; W168-E179 WeakPolarHBondContact CZ2-OE1 3.33Å; W168-E179 VanDerWaalsContact CZ2-OE2 3.31Å; W168-E179 WeakPolarHBondContact CZ2-OE2 3.47Å; T176-E179 VanDerWaalsContact CB-OE2 3.3Å; T176-E179 WeakPolarHBondContact CB-OE2 3.38Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.4Å; T176-E179 PolarHBondContact N-OE2 2.98Å; T176-E179 WeakPolarHBondContact O-CB 3.38Å; T176-E179 PolarHBondContact O-N 2.81Å; T176-E179 WeakPolarHBondContact OG1-CG 3.37Å; T176-E179 PolarHBondContact OG1-OE2 3.1Å; Y177-E179 VanDerWaalsContact C-N 3.27Å; Y177-E179 PolarHBondContact O-N 2.85Å; E179-L181 VanDerWaalsContact C-N 3.34Å; E179-R183 VanDerWaalsContact O-CB 3.29Å; E179-R183 WeakPolarHBondContact O-CB 3.43Å; E179-R183 PolarHBondContact O-N 3.47Å |
| 180 | L | 89.5 | Confident | 81.8 | Confident | 89 Ų | 89 | 106.9 Ų | 106.9 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 168.6 | -70.6 | 91.1 | 0 | 0 | 0 | 110.6 | Y175 T176 Y177 R183 V184 | Y175-L180 VanDerWaalsContact CB-CD1 3.44Å; Y175-L180 HydrophobicContact CG-CD1 4.46Å; T176-L180 WeakPolarHBondContact O-CD1 3.28Å; T176-L180 PolarHBondContact O-N 3.38Å; Y177-L180 PolarHBondContact O-N 2.88Å; L180-R183 WeakPolarHBondContact O-CB 3.3Å; L180-R183 PolarHBondContact O-N 3.1Å; L180-V184 WeakPolarHBondContact O-CG2 3.48Å; L180-V184 PolarHBondContact O-N 2.98Å |
| 181 | L | 90.6 | Very high | 82.3 | Confident | 53 Ų | 53 | 110.6 Ų | 110.6 | 28% | 0.277 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | -179.8 | 177.5 | 144.6 | 0 | 0 | 0 | 111.2 | Y177 E179 R183 V184 F185 | Y177-L181 HydrophobicContact CE1-CD1 3.68Å; Y177-L181 VanDerWaalsContact O-CB 3.3Å; Y177-L181 WeakPolarHBondContact O-CB 3.32Å; Y177-L181 PolarHBondContact O-N 2.99Å; E179-L181 VanDerWaalsContact C-N 3.34Å; L181-R183 PolarHBondContact O-N 2.76Å; L181-V184 PolarHBondContact O-N 2.82Å; L181-F185 HydrophobicContact CD1-CE2 4.27Å; L181-F185 HydrophobicContact CD2-CD2 3.69Å; L181-F185 HydrophobicContact CD2-CE2 3.72Å; L181-F185 HydrophobicContact CG-CD2 3.89Å; L181-F185 HydrophobicContact CG-CE2 3.72Å; L181-F185 VanDerWaalsContact O-CD2 3.24Å; L181-F185 WeakPolarHBondContact O-CD2 3.47Å; L181-F185 PolarHBondContact O-N 3.37Å |
| 182 | N | 88.6 | Confident | 82.4 | Confident | 86 Ų | 86 | 109.2 Ų | 109.2 | 46% | 0.46 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 174.6 | -82 | -56.9 | 0 | 0 | 0 | 112.2 | D178 F185 N186 | D178-N182 VanDerWaalsContact O-CB 3.29Å; D178-N182 WeakPolarHBondContact O-CB 3.42Å; D178-N182 PolarHBondContact O-N 2.84Å; D178-N182 PolarHBondContact O-ND2 2.88Å; N182-F185 PolarHBondContact O-N 2.87Å; N182-N186 PolarHBondContact O-N 2.98Å |
| 183 | R | 87.3 | Confident | 82.7 | Confident | 134 Ų | 134 | 102.9 Ų | 102.9 | 51% | 0.506 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 174.4 | -173.4 | 177.8 | -176.6 | 177.2 | 1.6 | 112 | E179 L180 L181 N186 I187 | E179-R183 VanDerWaalsContact O-CB 3.29Å; E179-R183 WeakPolarHBondContact O-CB 3.43Å; E179-R183 PolarHBondContact O-N 3.47Å; L180-R183 WeakPolarHBondContact O-CB 3.3Å; L180-R183 PolarHBondContact O-N 3.1Å; L181-R183 PolarHBondContact O-N 2.76Å; R183-N186 PolarHBondContact O-N 3.39Å; R183-I187 HydrophobicContact CG-CD1 4.1Å; R183-I187 WeakPolarHBondContact O-CD1 3.18Å; R183-I187 VanDerWaalsContact O-CG1 3.29Å; R183-I187 WeakPolarHBondContact O-CG1 3.38Å; R183-I187 PolarHBondContact O-N 3.14Å |
| 184 | V | 88.3 | Confident | 81.9 | Confident | 93 Ų | 93 | 98.6 Ų | 98.6 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.1 | -43 | 175.4 | 169 | 0 | 0 | 0 | 0 | 111.1 | L180 L181 I187 M188 | L180-V184 WeakPolarHBondContact O-CG2 3.48Å; L180-V184 PolarHBondContact O-N 2.98Å; L181-V184 PolarHBondContact O-N 2.82Å; V184-I187 PolarHBondContact O-N 3.04Å; V184-M188 WeakPolarHBondContact O-CB 3.49Å; V184-M188 PolarHBondContact O-N 3.44Å |
| 185 | F | 84.9 | Confident | 81.1 | Confident | 92 Ų | 92 | 95.4 Ų | 95.4 | 40% | 0.404 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.5 | -31.4 | 176.2 | -78.5 | -60.7 | 0 | 0 | 0 | 113.6 | L181 N182 M188 R189 | L181-F185 HydrophobicContact CD1-CE2 4.27Å; L181-F185 HydrophobicContact CD2-CD2 3.69Å; L181-F185 HydrophobicContact CD2-CE2 3.72Å; L181-F185 HydrophobicContact CG-CD2 3.89Å; L181-F185 HydrophobicContact CG-CE2 3.72Å; L181-F185 VanDerWaalsContact O-CD2 3.24Å; L181-F185 WeakPolarHBondContact O-CD2 3.47Å; L181-F185 PolarHBondContact O-N 3.37Å; N182-F185 PolarHBondContact O-N 2.87Å; F185-M188 HydrophobicContact CD1-SD 4.27Å; F185-M188 HydrophobicContact CE1-SD 4.37Å; F185-M188 PolarHBondContact O-N 3.16Å; F185-R189 WeakPolarHBondContact O-CG 3.36Å; F185-R189 PolarHBondContact O-N 3.38Å |
| 186 | N | 85.7 | Confident | 80.2 | Confident | 72 Ų | 72 | 92.4 Ų | 92.4 | 39% | 0.385 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63 | -52.6 | 169.2 | -75.1 | -16.8 | 0 | 0 | 0 | 111.1 | N182 R183 M188 R189 E190 | N182-N186 PolarHBondContact O-N 2.98Å; R183-N186 PolarHBondContact O-N 3.39Å; N186-M188 PolarHBondContact O-N 3.18Å; N186-R189 WeakPolarHBondContact O-CB 3.48Å; N186-R189 PolarHBondContact O-N 3.01Å; N186-R189 PolarHBondContact OD1-NH2 2.95Å; N186-E190 WeakPolarHBondContact O-CG 3.46Å; N186-E190 PolarHBondContact O-N 3.38Å |
| 187 | I | 85 | Confident | 79.1 | Confident | 64 Ų | 64 | 92.6 Ų | 92.6 | 33% | 0.328 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.2 | -34.4 | 177.3 | -66.6 | 164.5 | 0 | 0 | 0 | 111.4 | R183 V184 K191 | R183-I187 HydrophobicContact CG-CD1 4.1Å; R183-I187 WeakPolarHBondContact O-CD1 3.18Å; R183-I187 VanDerWaalsContact O-CG1 3.29Å; R183-I187 WeakPolarHBondContact O-CG1 3.38Å; R183-I187 PolarHBondContact O-N 3.14Å; V184-I187 PolarHBondContact O-N 3.04Å; I187-K191 HydrophobicContact CG2-CD 3.85Å; I187-K191 HydrophobicContact CG2-CG 4.47Å; I187-K191 WeakPolarHBondContact O-CB 3.39Å; I187-K191 WeakPolarHBondContact O-CG 3.45Å; I187-K191 PolarHBondContact O-N 3.17Å |
| 188 | M | 80 | Confident | 77.5 | Confident | 75 Ų | 75 | 87 Ų | 87 | 37% | 0.369 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.9 | -41.5 | 175.6 | -169.2 | 178.7 | 179.1 | 0 | 0 | 112.3 | V184 F185 N186 N192 V196 | V184-M188 WeakPolarHBondContact O-CB 3.49Å; V184-M188 PolarHBondContact O-N 3.44Å; F185-M188 HydrophobicContact CD1-SD 4.27Å; F185-M188 HydrophobicContact CE1-SD 4.37Å; F185-M188 PolarHBondContact O-N 3.16Å; N186-M188 PolarHBondContact O-N 3.18Å; M188-N192 CarbonylContact O-C 3.52Å; M188-N192 PolarHBondContact O-N 3.15Å; M188-V196 HydrophobicContact CB-CG2 4.38Å; M188-V196 HydrophobicContact CE-CG2 4.33Å; M188-V196 HydrophobicContact CG-CG2 3.77Å; M188-V196 HydrophobicContact SD-CG2 4.24Å |
| 189 | R | 79.2 | Confident | 76 | Confident | 113 Ų | 113 | 89.1 Ų | 89.1 | 43% | 0.426 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 173.4 | -79 | -175.8 | -78.7 | -106.8 | 5.7 | 112 | F185 N186 P193 V196 | F185-R189 WeakPolarHBondContact O-CG 3.36Å; F185-R189 PolarHBondContact O-N 3.38Å; N186-R189 WeakPolarHBondContact O-CB 3.48Å; N186-R189 PolarHBondContact O-N 3.01Å; N186-R189 PolarHBondContact OD1-NH2 2.95Å; R189-P193 WeakPolarHBondContact O-CA 3.03Å; R189-P193 WeakPolarHBondContact O-CD 3.45Å; R189-V196 HydrophobicContact CG-CB 4.02Å; R189-V196 HydrophobicContact CG-CG1 3.7Å; R189-V196 HydrophobicContact CG-CG2 4.02Å |
| 190 | E | 77.9 | Confident | 74.7 | Confident | 143 Ų | 143 | 95 Ų | 95 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | -179.9 | -71.9 | 161 | -162.4 | 0 | 0 | 112.2 | N186 | N186-E190 WeakPolarHBondContact O-CG 3.46Å; N186-E190 PolarHBondContact O-N 3.38Å |
| 191 | K | 73.2 | Confident | 73.3 | Confident | 156 Ų | 156 | 99.3 Ų | 99.3 | 68% | 0.678 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -87.5 | -25.4 | -175.1 | -66.8 | -178.7 | 179 | 178.8 | 0 | 114.4 | I187 | I187-K191 HydrophobicContact CG2-CD 3.85Å; I187-K191 HydrophobicContact CG2-CG 4.47Å; I187-K191 WeakPolarHBondContact O-CB 3.39Å; I187-K191 WeakPolarHBondContact O-CG 3.45Å; I187-K191 PolarHBondContact O-N 3.17Å |
| 192 | N | 69.4 | Low | 71.9 | Confident | 51 Ų | 51 | 105.9 Ų | 105.9 | 27% | 0.273 | 52% | 0.524 | S | S | . | . | trans | -145.5 | 70.6 | -178.5 | -68.8 | -95.7 | 0 | 0 | 0 | 111.2 | M188 D194 M195 V196 | M188-N192 CarbonylContact O-C 3.52Å; M188-N192 PolarHBondContact O-N 3.15Å; N192-D194 VanDerWaalsContact C-N 3.3Å; N192-D194 PolarHBondContact O-N 2.93Å; N192-M195 HydrophobicContact CB-CB 3.82Å; N192-M195 HydrophobicContact CB-CG 3.87Å; N192-M195 WeakPolarHBondContact O-CB 3.39Å; N192-M195 PolarHBondContact O-N 2.86Å; N192-V196 PolarHBondContact O-N 2.89Å | ||
| 193 | P | 70.1 | Confident | 70.8 | Confident | 82 Ų | 82 | 105.6 Ų | 105.6 | 53% | 0.532 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.5 | -40.9 | -178.4 | 21.6 | -32.7 | 0 | 0 | 0 | 112.8 | R189 M195 V196 A197 | R189-P193 WeakPolarHBondContact O-CA 3.03Å; R189-P193 WeakPolarHBondContact O-CD 3.45Å; P193-M195 VanDerWaalsContact C-N 3.26Å; P193-M195 PolarHBondContact O-N 2.82Å; P193-V196 PolarHBondContact O-N 3.49Å; P193-V196 VanDerWaalsContact O-N 3.16Å; P193-A197 PolarHBondContact O-N 3.44Å; P193-A197 VanDerWaalsContact O-N 3.1Å |
| 194 | D | 60 | Low | 69.8 | Low | 89 Ų | 89 | 105.7 Ų | 105.7 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -22.2 | 176 | -84.7 | -80.4 | 0 | 0 | 0 | 114.8 | N192 R201 | N192-D194 VanDerWaalsContact C-N 3.3Å; N192-D194 PolarHBondContact O-N 2.93Å; D194-R201 IonicContact OD1-CZ 2.68Å; D194-R201 IonicContact OD1-NE 3.17Å; D194-R201 PolarHBondContact OD1-NE 2.76Å; D194-R201 IonicContact OD1-NH2 3.67Å; D194-R201 PolarHBondContact OD1-NH2 2.78Å; D194-R201 IonicContact OD2-NH2 2.77Å |
| 195 | M | 60.3 | Low | 69.1 | Low | 84 Ų | 84 | 103.1 Ų | 103.1 | 41% | 0.414 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -78.6 | -31.3 | 174.1 | -78.5 | -69.3 | -57.9 | 0 | 0 | 112.5 | N192 P193 C285 | N192-M195 HydrophobicContact CB-CB 3.82Å; N192-M195 HydrophobicContact CB-CG 3.87Å; N192-M195 WeakPolarHBondContact O-CB 3.39Å; N192-M195 PolarHBondContact O-N 2.86Å; P193-M195 VanDerWaalsContact C-N 3.26Å; P193-M195 PolarHBondContact O-N 2.82Å; M195-C285 HydrophobicContact CE-CB 4.38Å |
| 196 | V | 61.8 | Low | 68.8 | Low | 52 Ų | 52 | 103.2 Ų | 103.2 | 32% | 0.315 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -90.9 | -25 | -174.9 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | M188 R189 N192 P193 G198 | M188-V196 HydrophobicContact CB-CG2 4.38Å; M188-V196 HydrophobicContact CE-CG2 4.33Å; M188-V196 HydrophobicContact CG-CG2 3.77Å; M188-V196 HydrophobicContact SD-CG2 4.24Å; R189-V196 HydrophobicContact CG-CB 4.02Å; R189-V196 HydrophobicContact CG-CG1 3.7Å; R189-V196 HydrophobicContact CG-CG2 4.02Å; N192-V196 PolarHBondContact O-N 2.89Å; P193-V196 PolarHBondContact O-N 3.49Å; P193-V196 VanDerWaalsContact O-N 3.16Å; V196-G198 PolarHBondContact O-N 3.02Å |
| 197 | A | 62.4 | Low | 68.6 | Low | 75 Ų | 75 | 103.8 Ų | 103.8 | 62% | 0.62 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -61.5 | -7.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | P193 E199 | P193-A197 PolarHBondContact O-N 3.44Å; P193-A197 VanDerWaalsContact O-N 3.1Å; A197-E199 PolarHBondContact O-N 2.82Å |
| 198 | G | 57.8 | Low | 68.7 | Low | 55 Ų | 55 | 101.1 Ų | 101.1 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | trans | 73.8 | -28.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V196 K200 | V196-G198 PolarHBondContact O-N 3.02Å; G198-K200 PolarHBondContact O-N 3.07Å | ||
| 199 | E | 57.5 | Low | 69.1 | Low | 145 Ų | 145 | 102.4 Ų | 102.4 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | trans | -69 | 89.8 | 173.1 | -174.4 | 160 | -134 | 0 | 0 | 110.8 | A197 R201 | A197-E199 PolarHBondContact O-N 2.82Å; E199-R201 HydrophobicContact CG-CG 4.47Å; E199-R201 PolarHBondContact O-N 3.03Å | ||
| 200 | K | 60.2 | Low | 69.7 | Low | 193 Ų | 193 | 98.7 Ų | 98.7 | 84% | 0.839 | 51% | 0.506 | S | S | * | . | trans | -63.3 | 80.5 | 169.3 | -68.6 | 163.2 | -175.4 | 161 | 0 | 109.2 | G198 K202 | G198-K200 PolarHBondContact O-N 3.07Å; K200-K202 PolarHBondContact O-N 2.97Å | ||
| 201 | R | 58.6 | Low | 70.3 | Confident | 178 Ų | 178 | 95.6 Ų | 95.6 | 67% | 0.672 | 50% | 0.497 | S | S | * | . | trans | -51.8 | 99.5 | -178.6 | -57.5 | -166.8 | -159.5 | -132.1 | 17.8 | 109.3 | D194 E199 F203 | D194-R201 IonicContact OD1-CZ 2.68Å; D194-R201 IonicContact OD1-NE 3.17Å; D194-R201 PolarHBondContact OD1-NE 2.76Å; D194-R201 IonicContact OD1-NH2 3.67Å; D194-R201 PolarHBondContact OD1-NH2 2.78Å; D194-R201 IonicContact OD2-NH2 2.77Å; E199-R201 HydrophobicContact CG-CG 4.47Å; E199-R201 PolarHBondContact O-N 3.03Å; R201-F203 PolarHBondContact O-N 2.98Å | ||
| 202 | K | 61.9 | Low | 71.1 | Confident | 191 Ų | 191 | 97 Ų | 97 | 83% | 0.83 | 50% | 0.498 | S | S | * | . | trans | -63.3 | 110.3 | 179.4 | -71.2 | 172.3 | -177.2 | 164.5 | 0 | 107.3 | K200 V204 | K200-K202 PolarHBondContact O-N 2.97Å; K202-V204 WeakPolarHBondContact O-CG2 3.46Å; K202-V204 PolarHBondContact O-N 3.43Å | ||
| 203 | F | 65.1 | Low | 72 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | trans | -47.6 | 103.7 | -174.5 | -177.5 | -97.6 | 0 | 0 | 0 | 112.2 | R201 M205 L229 L230 P288 | R201-F203 PolarHBondContact O-N 2.98Å; F203-M205 VanDerWaalsContact C-N 3.34Å; F203-M205 HydrophobicContact CD1-CB 4.07Å; F203-M205 HydrophobicContact CE1-CB 3.9Å; F203-M205 HydrophobicContact CE1-CG 4.01Å; F203-M205 PolarHBondContact O-N 2.68Å; F203-L229 HydrophobicContact CE1-CD2 3.71Å; F203-L229 HydrophobicContact CZ-CD2 3.47Å; F203-L229 VanDerWaalsContact CZ-CD2 3.47Å; F203-L229 HydrophobicContact CZ-CG 3.86Å; F203-L230 HydrophobicContact CD1-CD2 4.43Å; F203-L230 HydrophobicContact CE1-CD2 3.49Å; F203-L230 VanDerWaalsContact CE1-CD2 3.49Å; F203-L230 HydrophobicContact CZ-CD2 3.67Å; F203-P288 HydrophobicContact CD2-CB 3.91Å; F203-P288 HydrophobicContact CD2-CG 3.98Å; F203-P288 HydrophobicContact CE2-CB 4.29Å; F203-P288 HydrophobicContact CG-CB 4.5Å | ||
| 204 | V | 67.3 | Low | 72.8 | Confident | 137 Ų | 137 | 96.8 Ų | 96.8 | 83% | 0.83 | 51% | 0.509 | S | S | * | . | trans | -82.3 | 80.6 | -173.5 | -172.1 | 0 | 0 | 0 | 0 | 109.2 | K202 | K202-V204 WeakPolarHBondContact O-CG2 3.46Å; K202-V204 PolarHBondContact O-N 3.43Å | ||
| 205 | M | 73.1 | Confident | 74.2 | Confident | 38 Ų | 38 | 97.2 Ų | 97.2 | 19% | 0.187 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 133.5 | 179.6 | -160.7 | -175.2 | 79.3 | 0 | 0 | 111.4 | F203 I226 L229 L272 I276 | F203-M205 VanDerWaalsContact C-N 3.34Å; F203-M205 HydrophobicContact CD1-CB 4.07Å; F203-M205 HydrophobicContact CE1-CB 3.9Å; F203-M205 HydrophobicContact CE1-CG 4.01Å; F203-M205 PolarHBondContact O-N 2.68Å; M205-I226 HydrophobicContact CE-CD1 4.04Å; M205-I226 HydrophobicContact CE-CG1 4.47Å; M205-I226 HydrophobicContact CE-CG2 4.46Å; M205-I226 HydrophobicContact SD-CG1 4.4Å; M205-I226 HydrophobicContact SD-CG2 3.81Å; M205-L229 HydrophobicContact CB-CD2 4.4Å; M205-L229 HydrophobicContact CG-CD2 3.66Å; M205-L272 HydrophobicContact CE-CD1 4.17Å; M205-I276 HydrophobicContact SD-CD1 3.93Å |
| 206 | K | 77.4 | Confident | 75.5 | Confident | 94 Ų | 94 | 101.1 Ų | 101.1 | 41% | 0.409 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -49.6 | 127.8 | 169.1 | -176.7 | 178.9 | 178.8 | -178.6 | 0 | 109.7 | N222 D225 | K206-N222 WeakPolarHBondContact CE-ND2 3.48Å; K206-D225 IonicContact NZ-OD2 2.7Å; K206-D225 PolarHBondContact NZ-OD2 3.21Å |
| 207 | P | 83.4 | Confident | 77 | Confident | 85 Ų | 85 | 104 Ų | 104 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -62 | 136.2 | -172.9 | 22.2 | -32.9 | 0 | 0 | 0 | 111.8 | Q209 | P207-Q209 PolarHBondContact O-N 2.88Å; P207-Q209 VanDerWaalsContact O-N 3.15Å |
| 208 | P | 86.2 | Confident | 78.4 | Confident | 8 Ų | 8 | 100.6 Ų | 100.6 | 5% | 0.052 | 51% | 0.509 | C | S | . | . | trans | -72.6 | 110.5 | -173.6 | 27.3 | -33.8 | 0 | 0 | 0 | 111.1 | V210 F220 I226 Q265 E269 L272 | P208-V210 PolarHBondContact O-N 3.28Å; P208-F220 HydrophobicContact CB-CD2 4.47Å; P208-F220 HydrophobicContact CB-CE2 3.45Å; P208-F220 VanDerWaalsContact CB-CE2 3.45Å; P208-F220 HydrophobicContact CB-CZ 3.83Å; P208-I226 HydrophobicContact CB-CD1 4.36Å; P208-Q265 HydrophobicContact CG-CG 4.44Å; P208-Q265 WeakPolarHBondContact O-CG 3.44Å; P208-Q265 PolarHBondContact O-NE2 2.81Å; P208-E269 HydrophobicContact CG-CB 4.4Å; P208-L272 HydrophobicContact CB-CD1 4.12Å; P208-L272 HydrophobicContact CG-CD1 4.49Å | ||
| 209 | Q | 88.3 | Confident | 80.1 | Confident | 102 Ų | 102 | 98 Ų | 98 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | trans | -84.3 | 110.5 | 180 | -74.2 | 174.9 | -24.7 | 0 | 0 | 111.5 | P207 F220 V221 N222 | P207-Q209 PolarHBondContact O-N 2.88Å; P207-Q209 VanDerWaalsContact O-N 3.15Å; Q209-F220 WeakPolarHBondContact O-CD2 3.45Å; Q209-V221 PolarHBondContact O-N 2.97Å; Q209-N222 VanDerWaalsContact CD-ND2 3.34Å; Q209-N222 PolarHBondContact OE1-ND2 3.44Å; Q209-N222 PolarHBondContact OE1-OD1 3.19Å | ||
| 210 | V | 91.1 | Very high | 81.8 | Confident | 34 Ų | 34 | 91.3 Ų | 91.3 | 21% | 0.206 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 113.7 | -173.2 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | P208 T218 F220 Q265 I268 | P208-V210 PolarHBondContact O-N 3.28Å; V210-T218 HydrophobicContact CG1-CG2 3.3Å; V210-F220 HydrophobicContact CG2-CD2 4.06Å; V210-Q265 HydrophobicContact CG2-CG 4.3Å; V210-I268 HydrophobicContact CG2-CB 4.31Å; V210-I268 HydrophobicContact CG2-CG1 4.12Å; V210-I268 HydrophobicContact CG2-CG2 4.44Å |
| 211 | V | 91.1 | Very high | 83.2 | Confident | 78 Ų | 78 | 84.2 Ų | 84.2 | 47% | 0.473 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 139.1 | -174.7 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | S219 V221 | V211-S219 PolarHBondContact N-O 3.04Å; V211-S219 PolarHBondContact O-N 3.41Å; V211-S219 VanDerWaalsContact O-O 3.12Å; V211-V221 HydrophobicContact CB-CG2 4.35Å; V211-V221 HydrophobicContact CG2-CG2 3.73Å |
| 212 | R | 89.5 | Confident | 84.7 | Confident | 185 Ų | 185 | 76.4 Ų | 76.4 | 70% | 0.698 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 119.4 | 178.9 | -65.2 | 178.1 | -176.7 | 157.3 | 2.9 | 110.4 | G214 | R212-G214 PolarHBondContact O-N 3.09Å |
| 213 | V | 88.6 | Confident | 86.1 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 42% | 0.418 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 84.1 | 178 | 179 | 0 | 0 | 0 | 0 | 108.5 | K217 | V213-K217 HydrophobicContact CB-CB 4.24Å; V213-K217 PolarHBondContact N-O 3.43Å; V213-K217 WeakPolarHBondContact O-CB 3.39Å |
| 214 | G | 88.1 | Confident | 87.4 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 63% | 0.629 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.2 | -153.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R212 | R212-G214 PolarHBondContact O-N 3.09Š|
| 215 | T | 87.8 | Confident | 88.5 | Confident | 98 Ų | 98 | 61 Ų | 61 | 60% | 0.601 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.5 | -164.4 | 56.3 | 0 | 0 | 0 | 0 | 115.7 | R262 | T215-R262 PolarHBondContact O-NE 2.91Å; T215-R262 PolarHBondContact O-NH2 2.84Å; T215-R262 VanDerWaalsContact O-NH2 3.07Å |
| 216 | K | 88.9 | Confident | 89.4 | Confident | 165 Ų | 165 | 59.3 Ų | 59.3 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141.3 | 4.3 | -173.6 | -63.3 | -175.8 | -177.3 | 177 | 0 | 115 | G261 | K216-G261 CarbonylContact C-O 3.57Å; K216-G261 PolarHBondContact O-N 3.47Å |
| 217 | K | 92.4 | Very high | 90 | Very high | 113 Ų | 113 | 55 Ų | 55 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.8 | 173.7 | -54.3 | 177 | -179.2 | 179.1 | 0 | 109.7 | V213 V258 I259 G261 | V213-K217 HydrophobicContact CB-CB 4.24Å; V213-K217 PolarHBondContact N-O 3.43Å; V213-K217 WeakPolarHBondContact O-CB 3.39Å; K217-V258 HydrophobicContact CB-CG1 4.21Å; K217-V258 HydrophobicContact CD-CG1 3.99Å; K217-V258 HydrophobicContact CG-CG1 4.5Å; K217-I259 WeakPolarHBondContact CA-O 3.17Å; K217-G261 CarbonylContact C-O 3.43Å |
| 218 | T | 92.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127 | 171.8 | -51 | 0 | 0 | 0 | 0 | 107.6 | V210 I259 G261 F263 | V210-T218 HydrophobicContact CG1-CG2 3.3Å; T218-I259 PolarHBondContact N-O 3.44Å; T218-I259 PolarHBondContact O-N 2.84Å; T218-G261 PolarHBondContact N-O 3.06Å; T218-G261 PolarHBondContact OG1-O 3.23Å; T218-F263 HydrophobicContact CG2-CB 4.41Å; T218-F263 PolarHBondContact OG1-N 3.11Å |
| 219 | S | 92.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.014 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 141.8 | 172.3 | -170.6 | 0 | 0 | 0 | 0 | 110.3 | V211 Q256 L257 | V211-S219 PolarHBondContact N-O 3.04Å; V211-S219 PolarHBondContact O-N 3.41Å; V211-S219 VanDerWaalsContact O-O 3.12Å; S219-Q256 WeakPolarHBondContact OG-CB 3.33Å; S219-Q256 PolarHBondContact OG-OE1 3.28Å; S219-L257 CarbonylContact C-O 3.51Å; S219-L257 WeakPolarHBondContact CA-O 3.34Å |
| 220 | F | 93.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 107.6 | 172.3 | 177.5 | -148.9 | 0 | 0 | 0 | 108 | P208 Q209 V210 F223 I226 Q256 L257 I268 L272 | P208-F220 HydrophobicContact CB-CD2 4.47Å; P208-F220 HydrophobicContact CB-CE2 3.45Å; P208-F220 VanDerWaalsContact CB-CE2 3.45Å; P208-F220 HydrophobicContact CB-CZ 3.83Å; Q209-F220 WeakPolarHBondContact O-CD2 3.45Å; V210-F220 HydrophobicContact CG2-CD2 4.06Å; F220-F223 HydrophobicContact CD1-CB 3.93Å; F220-F223 AromaticContact CD1-CD2 3.76Å; F220-F223 HydrophobicContact CD1-CD2 3.76Å; F220-F223 HydrophobicContact CD1-CG 4.32Å; F220-F223 HydrophobicContact CE1-CB 4.24Å; F220-F223 AromaticContact CE1-CD2 3.84Å; F220-F223 HydrophobicContact CE1-CD2 3.84Å; F220-F223 HydrophobicContact CG-CB 4.42Å; F220-I226 HydrophobicContact CE2-CD1 4.08Å; F220-I226 HydrophobicContact CZ-CD1 3.61Å; F220-Q256 WeakPolarHBondContact O-CA 3.17Å; F220-L257 HydrophobicContact CB-CB 4.3Å; F220-L257 PolarHBondContact N-O 3.35Å; F220-L257 PolarHBondContact O-N 3.37Å; F220-I268 HydrophobicContact CE1-CG2 4.5Å; F220-L272 HydrophobicContact CE1-CD1 4.32Å; F220-L272 HydrophobicContact CZ-CD1 3.95Å |
| 221 | V | 90.8 | Very high | 90.6 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -52.8 | -164.1 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | Q209 V211 F223 Q256 | Q209-V221 PolarHBondContact O-N 2.97Å; V211-V221 HydrophobicContact CB-CG2 4.35Å; V211-V221 HydrophobicContact CG2-CG2 3.73Å; V221-F223 PolarHBondContact O-N 3.13Å; V221-Q256 HydrophobicContact CG1-CG 4.48Å |
| 222 | N | 89.5 | Confident | 90.7 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 30.1 | -173.6 | -59.2 | -17.8 | 0 | 0 | 0 | 113.3 | K206 Q209 D225 I226 | K206-N222 WeakPolarHBondContact CE-ND2 3.48Å; Q209-N222 VanDerWaalsContact CD-ND2 3.34Å; Q209-N222 PolarHBondContact OE1-ND2 3.44Å; Q209-N222 PolarHBondContact OE1-OD1 3.19Å; N222-D225 HydrophobicContact CB-CB 4.41Å; N222-I226 HydrophobicContact CB-CD1 4.34Å; N222-I226 WeakPolarHBondContact O-CG1 3.43Å; N222-I226 PolarHBondContact O-N 3.12Å |
| 223 | F | 91.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.3 | -49.3 | -172.1 | 174.8 | -101.1 | 0 | 0 | 0 | 112.4 | F220 V221 I226 C227 P234 L237 L238 L241 I251 L257 | F220-F223 HydrophobicContact CD1-CB 3.93Å; F220-F223 AromaticContact CD1-CD2 3.76Å; F220-F223 HydrophobicContact CD1-CD2 3.76Å; F220-F223 HydrophobicContact CD1-CG 4.32Å; F220-F223 HydrophobicContact CE1-CB 4.24Å; F220-F223 AromaticContact CE1-CD2 3.84Å; F220-F223 HydrophobicContact CE1-CD2 3.84Å; F220-F223 HydrophobicContact CG-CB 4.42Å; V221-F223 PolarHBondContact O-N 3.13Å; F223-I226 PolarHBondContact O-N 3.32Å; F223-C227 PolarHBondContact O-N 3.08Å; F223-C227 VanDerWaalsContact O-N 3.08Å; F223-C227 PolarHBondContact O-SG 2.96Å; F223-P234 HydrophobicContact CE1-CB 3.71Å; F223-P234 HydrophobicContact CZ-CB 4.2Å; F223-L237 HydrophobicContact CD2-CD2 4.44Å; F223-L237 HydrophobicContact CE2-CD2 3.69Å; F223-L237 HydrophobicContact CZ-CD2 4.48Å; F223-L238 HydrophobicContact CZ-CB 4Å; F223-L241 HydrophobicContact CD2-CD1 4.35Å; F223-L241 HydrophobicContact CE2-CD1 3.96Å; F223-I251 HydrophobicContact CD1-CD1 4.39Å; F223-I251 HydrophobicContact CD1-CG1 4.3Å; F223-I251 HydrophobicContact CE1-CD1 3.74Å; F223-I251 HydrophobicContact CE1-CG1 4.01Å; F223-L257 HydrophobicContact CB-CB 3.96Å; F223-L257 HydrophobicContact CD1-CB 4.14Å; F223-L257 HydrophobicContact CD2-CB 3.85Å; F223-L257 HydrophobicContact CD2-CD2 3.69Å; F223-L257 HydrophobicContact CD2-CG 4.42Å; F223-L257 HydrophobicContact CE2-CB 4.42Å; F223-L257 HydrophobicContact CE2-CD2 3.63Å; F223-L257 HydrophobicContact CG-CB 3.69Å; F223-L257 HydrophobicContact CG-CD2 4.38Å; F223-L257 HydrophobicContact CZ-CD2 4.28Å |
| 224 | T | 91.3 | Very high | 91 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 178.4 | 44.3 | 0 | 0 | 0 | 0 | 113.3 | I226 C227 K228 N255 | T224-I226 VanDerWaalsContact C-N 3.32Å; T224-I226 PolarHBondContact O-N 3.02Å; T224-C227 PolarHBondContact O-N 3.5Å; T224-K228 WeakPolarHBondContact O-CG 3.27Å; T224-K228 PolarHBondContact O-N 3.44Å; T224-N255 HydrophobicContact CG2-CB 3.69Å |
| 225 | D | 91.1 | Very high | 91.2 | Very high | 62 Ų | 62 | 61.3 Ų | 61.3 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.3 | -47.9 | 176.9 | -63.7 | 7.6 | 0 | 0 | 0 | 110.4 | K206 N222 C227 K228 L229 | K206-D225 IonicContact NZ-OD2 2.7Å; K206-D225 PolarHBondContact NZ-OD2 3.21Å; N222-D225 HydrophobicContact CB-CB 4.41Å; D225-C227 VanDerWaalsContact C-N 3.35Å; D225-K228 PolarHBondContact O-N 2.99Å; D225-L229 WeakPolarHBondContact O-CB 3.41Å; D225-L229 PolarHBondContact O-N 2.91Å |
| 226 | I | 91 | Very high | 91.4 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68 | -35.5 | 179.6 | -71.4 | 164.9 | 0 | 0 | 0 | 110.8 | M205 P208 F220 N222 F223 T224 L230 | M205-I226 HydrophobicContact CE-CD1 4.04Å; M205-I226 HydrophobicContact CE-CG1 4.47Å; M205-I226 HydrophobicContact CE-CG2 4.46Å; M205-I226 HydrophobicContact SD-CG1 4.4Å; M205-I226 HydrophobicContact SD-CG2 3.81Å; P208-I226 HydrophobicContact CB-CD1 4.36Å; F220-I226 HydrophobicContact CE2-CD1 4.08Å; F220-I226 HydrophobicContact CZ-CD1 3.61Å; N222-I226 HydrophobicContact CB-CD1 4.34Å; N222-I226 WeakPolarHBondContact O-CG1 3.43Å; N222-I226 PolarHBondContact O-N 3.12Å; F223-I226 PolarHBondContact O-N 3.32Å; T224-I226 VanDerWaalsContact C-N 3.32Å; T224-I226 PolarHBondContact O-N 3.02Å; I226-L230 HydrophobicContact CG2-CD1 3.7Å; I226-L230 HydrophobicContact CG2-CG 4.39Å; I226-L230 WeakPolarHBondContact O-CB 3.43Å; I226-L230 WeakPolarHBondContact O-CD1 3.16Å; I226-L230 WeakPolarHBondContact O-CG 3.49Å; I226-L230 PolarHBondContact O-N 3.16Å |
| 227 | C | 91.3 | Very high | 91.6 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 2% | 0.02 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 172.6 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | F223 T224 D225 H231 R232 P234 | F223-C227 PolarHBondContact O-N 3.08Å; F223-C227 VanDerWaalsContact O-N 3.08Å; F223-C227 PolarHBondContact O-SG 2.96Å; T224-C227 PolarHBondContact O-N 3.5Å; D225-C227 VanDerWaalsContact C-N 3.35Å; C227-H231 PolarHBondContact O-N 3.01Å; C227-R232 PolarHBondContact O-N 3.19Å; C227-P234 HydrophobicContact CB-CB 4.32Å |
| 228 | K | 90.8 | Very high | 91.6 | Very high | 158 Ų | 158 | 45.7 Ų | 45.7 | 69% | 0.687 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -65.1 | -49.5 | 176.1 | -71.6 | 175 | 178.6 | -177.4 | 0 | 111.5 | T224 D225 L230 H231 | T224-K228 WeakPolarHBondContact O-CG 3.27Å; T224-K228 PolarHBondContact O-N 3.44Å; D225-K228 PolarHBondContact O-N 2.99Å; K228-L230 PolarHBondContact O-N 3.34Å; K228-H231 PolarHBondContact O-N 3.29Å |
| 229 | L | 90.1 | Very high | 91.6 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 37% | 0.372 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -27.7 | 179.1 | -175.6 | 110.5 | 0 | 0 | 0 | 113.2 | F203 M205 D225 | F203-L229 HydrophobicContact CE1-CD2 3.71Å; F203-L229 HydrophobicContact CZ-CD2 3.47Å; F203-L229 VanDerWaalsContact CZ-CD2 3.47Å; F203-L229 HydrophobicContact CZ-CG 3.86Å; M205-L229 HydrophobicContact CB-CD2 4.4Å; M205-L229 HydrophobicContact CG-CD2 3.66Å; D225-L229 WeakPolarHBondContact O-CB 3.41Å; D225-L229 PolarHBondContact O-N 2.91Å |
| 230 | L | 89.5 | Confident | 91.7 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 1.1 | 174.1 | -64.8 | 170.3 | 0 | 0 | 0 | 113.3 | F203 I226 K228 R232 L237 I276 V280 | F203-L230 HydrophobicContact CD1-CD2 4.43Å; F203-L230 HydrophobicContact CE1-CD2 3.49Å; F203-L230 VanDerWaalsContact CE1-CD2 3.49Å; F203-L230 HydrophobicContact CZ-CD2 3.67Å; I226-L230 HydrophobicContact CG2-CD1 3.7Å; I226-L230 HydrophobicContact CG2-CG 4.39Å; I226-L230 WeakPolarHBondContact O-CB 3.43Å; I226-L230 WeakPolarHBondContact O-CD1 3.16Å; I226-L230 WeakPolarHBondContact O-CG 3.49Å; I226-L230 PolarHBondContact O-N 3.16Å; K228-L230 PolarHBondContact O-N 3.34Å; L230-R232 VanDerWaalsContact C-N 3.3Å; L230-R232 HydrophobicContact CB-CG 4.23Å; L230-R232 WeakPolarHBondContact O-CG 3.18Å; L230-R232 PolarHBondContact O-N 2.88Å; L230-R232 PolarHBondContact O-NH1 3.26Å; L230-L237 HydrophobicContact CD1-CD1 3.86Å; L230-I276 HydrophobicContact CD1-CG1 4.4Å; L230-I276 HydrophobicContact CD2-CD1 4.28Å; L230-I276 HydrophobicContact CD2-CG1 4.02Å; L230-V280 HydrophobicContact CB-CG2 4.46Å; L230-V280 HydrophobicContact CD2-CG1 4.04Å; L230-V280 HydrophobicContact CD2-CG2 4.3Å |
| 231 | H | 90.4 | Very high | 91.6 | Very high | 155 Ų | 155 | 47.5 Ų | 47.5 | 72% | 0.718 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 46.8 | -172.7 | -61 | -105.7 | 0 | 0 | 0 | 112.3 | C227 K228 | C227-H231 PolarHBondContact O-N 3.01Å; K228-H231 PolarHBondContact O-N 3.29Å |
| 232 | R | 92.8 | Very high | 91.6 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | trans | -126 | 144.5 | -178 | -69.3 | -64 | 173.6 | -86.8 | 5.2 | 113.1 | C227 L230 Y275 Y279 V280 T290 L301 | C227-R232 PolarHBondContact O-N 3.19Å; L230-R232 VanDerWaalsContact C-N 3.3Å; L230-R232 HydrophobicContact CB-CG 4.23Å; L230-R232 WeakPolarHBondContact O-CG 3.18Å; L230-R232 PolarHBondContact O-N 2.88Å; L230-R232 PolarHBondContact O-NH1 3.26Å; R232-Y275 HydrophobicContact CG-CE1 4.27Å; R232-Y279 PolarHBondContact NE-O 3.02Å; R232-Y279 PolarHBondContact NH2-O 3.05Å; R232-V280 HydrophobicContact CG-CG2 4.35Å; R232-T290 PolarHBondContact NH1-O 2.86Å; R232-T290 PolarHBondContact NH2-O 3.29Å; R232-T290 PolarHBondContact NH2-OG1 2.91Å; R232-L301 VanDerWaalsContact NH2-CD1 3.28Å | ||
| 233 | Q | 91.9 | Very high | 91.8 | Very high | 136 Ų | 136 | 47.3 Ų | 47.3 | 64% | 0.636 | 24% | 0.237 | S | C | * | . | trans | -64.9 | 129.8 | 173.3 | -61.8 | -173.1 | 9.2 | 0 | 0 | 110.6 | K235 H236 L237 | Q233-K235 PolarHBondContact O-N 3.46Å; Q233-K235 VanDerWaalsContact O-N 3.17Å; Q233-H236 WeakPolarHBondContact O-CB 3.46Å; Q233-H236 PolarHBondContact O-N 3.46Å; Q233-L237 PolarHBondContact O-N 3.24Å | ||
| 234 | P | 92.5 | Very high | 91.8 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -29.1 | -178.2 | 21.8 | -32.3 | 0 | 0 | 0 | 113 | F223 C227 H236 L238 I251 | F223-P234 HydrophobicContact CE1-CB 3.71Å; F223-P234 HydrophobicContact CZ-CB 4.2Å; C227-P234 HydrophobicContact CB-CB 4.32Å; P234-H236 VanDerWaalsContact C-N 3.29Å; P234-H236 PolarHBondContact O-N 3.17Å; P234-L238 WeakPolarHBondContact O-CB 3.19Å; P234-L238 PolarHBondContact O-N 3.08Å; P234-I251 HydrophobicContact CB-CD1 4.38Å |
| 235 | K | 91.9 | Very high | 91.7 | Very high | 169 Ų | 169 | 51.3 Ų | 51.3 | 74% | 0.735 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.1 | -37.9 | 174.5 | -66.1 | 179.1 | 179.8 | 175.1 | 0 | 112.5 | Q233 A239 | Q233-K235 PolarHBondContact O-N 3.46Å; Q233-K235 VanDerWaalsContact O-N 3.17Å; K235-A239 WeakPolarHBondContact O-CB 3.46Å; K235-A239 PolarHBondContact O-N 2.68Å; K235-A239 VanDerWaalsContact O-N 3.16Å |
| 236 | H | 93.1 | Very high | 91.7 | Very high | 12 Ų | 12 | 50.8 Ų | 50.8 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74 | -48.1 | -178.6 | -171.4 | -95 | 0 | 0 | 0 | 111.6 | Q233 P234 L238 A239 F240 Y275 Y279 Y299 I315 | Q233-H236 WeakPolarHBondContact O-CB 3.46Å; Q233-H236 PolarHBondContact O-N 3.46Å; P234-H236 VanDerWaalsContact C-N 3.29Å; P234-H236 PolarHBondContact O-N 3.17Å; H236-L238 VanDerWaalsContact C-N 3.33Å; H236-L238 PolarHBondContact O-N 2.84Å; H236-A239 PolarHBondContact O-N 3.35Å; H236-F240 PolarHBondContact O-N 2.8Å; H236-Y275 AromaticContact CE1-CE2 3.93Å; H236-Y275 AromaticContact ND1-CE2 3.64Å; H236-Y275 AromaticContact ND1-CZ 3.75Å; H236-Y275 PolarHBondContact ND1-OH 3.48Å; H236-Y279 AromaticContact CE1-CD1 3.5Å; H236-Y279 AromaticContact CE1-CE1 3.95Å; H236-Y299 AromaticContact CD2-CZ 3.93Å; H236-I315 WeakPolarHBondContact NE2-CD1 3.3Å; H236-I315 WeakPolarHBondContact O-CD1 3.13Å |
| 237 | L | 92.5 | Very high | 91.6 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 179.6 | -156.3 | 155.1 | 0 | 0 | 0 | 111.4 | F223 L230 Q233 F240 L241 L272 Y275 | F223-L237 HydrophobicContact CD2-CD2 4.44Å; F223-L237 HydrophobicContact CE2-CD2 3.69Å; F223-L237 HydrophobicContact CZ-CD2 4.48Å; L230-L237 HydrophobicContact CD1-CD1 3.86Å; Q233-L237 PolarHBondContact O-N 3.24Å; L237-F240 PolarHBondContact O-N 2.93Å; L237-L241 HydrophobicContact CD2-CD1 3.63Å; L237-L241 HydrophobicContact CD2-CG 3.99Å; L237-L241 WeakPolarHBondContact O-CG 3.39Å; L237-L241 PolarHBondContact O-N 3.03Å; L237-L272 HydrophobicContact CD2-CD2 3.9Å; L237-Y275 HydrophobicContact CB-CE1 4.41Å; L237-Y275 HydrophobicContact CD1-CD1 3.92Å; L237-Y275 HydrophobicContact CD1-CE1 3.52Å; L237-Y275 HydrophobicContact CG-CD1 4.09Å; L237-Y275 HydrophobicContact CG-CE1 3.79Å; L237-Y275 HydrophobicContact CG-CE2 4.45Å |
| 238 | L | 93.1 | Very high | 91.4 | Very high | 36 Ų | 36 | 54.1 Ų | 54.1 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 170.3 | 179.5 | 154.3 | 0 | 0 | 0 | 112 | F223 P234 H236 F240 L241 L242 I251 L257 | F223-L238 HydrophobicContact CZ-CB 4Å; P234-L238 WeakPolarHBondContact O-CB 3.19Å; P234-L238 PolarHBondContact O-N 3.08Å; H236-L238 VanDerWaalsContact C-N 3.33Å; H236-L238 PolarHBondContact O-N 2.84Å; L238-F240 VanDerWaalsContact C-N 3.3Å; L238-F240 PolarHBondContact O-N 3.43Å; L238-L241 PolarHBondContact O-N 3.44Å; L238-L242 HydrophobicContact CD2-CD1 3.64Å; L238-L242 HydrophobicContact CD2-CG 4.3Å; L238-L242 HydrophobicContact CG-CD1 4.28Å; L238-L242 WeakPolarHBondContact O-CG 3.46Å; L238-L242 PolarHBondContact O-N 2.91Å; L238-I251 HydrophobicContact CD1-CD1 3.91Å; L238-I251 HydrophobicContact CD1-CG1 3.78Å; L238-L257 HydrophobicContact CD1-CD1 3.9Å; L238-L257 HydrophobicContact CG-CD1 4.31Å |
| 239 | A | 92.4 | Very high | 91.4 | Very high | 34 Ų | 34 | 47.6 Ų | 47.6 | 28% | 0.281 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K235 H236 A243 I315 | K235-A239 WeakPolarHBondContact O-CB 3.46Å; K235-A239 PolarHBondContact O-N 2.68Å; K235-A239 VanDerWaalsContact O-N 3.16Å; H236-A239 PolarHBondContact O-N 3.35Å; A239-A243 WeakPolarHBondContact O-CB 3.48Å; A239-A243 PolarHBondContact O-N 2.85Å; A239-I315 HydrophobicContact CB-CD1 4.08Å |
| 240 | F | 94 | Very high | 91.5 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 5% | 0.048 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -49.6 | 176.6 | -173.4 | -95.8 | 0 | 0 | 0 | 112.1 | H236 L237 L238 L242 A243 E244 V271 R274 Y275 Y279 I315 | H236-F240 PolarHBondContact O-N 2.8Å; L237-F240 PolarHBondContact O-N 2.93Å; L238-F240 VanDerWaalsContact C-N 3.3Å; L238-F240 PolarHBondContact O-N 3.43Å; F240-L242 VanDerWaalsContact C-N 3.29Å; F240-L242 PolarHBondContact O-N 2.68Å; F240-A243 PolarHBondContact O-N 2.95Å; F240-E244 HydrophobicContact CD1-CG 4.11Å; F240-E244 HydrophobicContact CE1-CG 3.63Å; F240-E244 HydrophobicContact CE2-CG 4.12Å; F240-E244 HydrophobicContact CZ-CG 3.64Å; F240-E244 PolarHBondContact O-N 3.31Å; F240-V271 HydrophobicContact CD1-CG1 4.09Å; F240-V271 HydrophobicContact CE1-CG1 3.77Å; F240-R274 HydrophobicContact CZ-CB 4.47Å; F240-Y275 HydrophobicContact CB-CD2 3.86Å; F240-Y275 HydrophobicContact CB-CE2 4.05Å; F240-Y275 AromaticContact CD1-CD2 3.53Å; F240-Y275 HydrophobicContact CD1-CD2 3.53Å; F240-Y275 HydrophobicContact CD1-CG 4.04Å; F240-Y275 HydrophobicContact CD2-CD2 4.01Å; F240-Y275 HydrophobicContact CE1-CD2 4.02Å; F240-Y275 HydrophobicContact CE1-CG 4.29Å; F240-Y275 HydrophobicContact CE2-CD2 4.47Å; F240-Y275 AromaticContact CG-CD2 3.52Å; F240-Y275 HydrophobicContact CG-CD2 3.52Å; F240-Y275 HydrophobicContact CG-CE2 4.17Å; F240-Y275 HydrophobicContact CG-CG 4.46Å; F240-Y275 HydrophobicContact CZ-CD2 4.47Å; F240-Y279 HydrophobicContact CD2-CD2 4.43Å; F240-Y279 AromaticContact CD2-CE2 3.89Å; F240-Y279 HydrophobicContact CD2-CE2 3.89Å; F240-Y279 HydrophobicContact CE2-CD2 4.23Å; F240-Y279 AromaticContact CE2-CE2 3.55Å; F240-Y279 HydrophobicContact CE2-CE2 3.55Å; F240-Y279 HydrophobicContact CZ-CE2 4.36Å; F240-I315 HydrophobicContact CB-CD1 3.86Å; F240-I315 HydrophobicContact CD2-CG1 4.33Å |
| 241 | L | 92.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.3 | -41.4 | 177.4 | -76.8 | 174.4 | 0 | 0 | 0 | 112.2 | F223 L237 L238 L245 L257 V271 L272 | F223-L241 HydrophobicContact CD2-CD1 4.35Å; F223-L241 HydrophobicContact CE2-CD1 3.96Å; L237-L241 HydrophobicContact CD2-CD1 3.63Å; L237-L241 HydrophobicContact CD2-CG 3.99Å; L237-L241 WeakPolarHBondContact O-CG 3.39Å; L237-L241 PolarHBondContact O-N 3.03Å; L238-L241 PolarHBondContact O-N 3.44Å; L241-L245 WeakPolarHBondContact O-CB 3.38Å; L241-L245 WeakPolarHBondContact O-CD1 3.43Å; L241-L245 WeakPolarHBondContact O-CG 3.48Å; L241-L245 PolarHBondContact O-N 2.91Å; L241-L257 HydrophobicContact CD1-CD2 3.62Å; L241-V271 HydrophobicContact CD2-CB 4.34Å; L241-V271 HydrophobicContact CD2-CG1 3.78Å; L241-L272 HydrophobicContact CD2-CD2 4.23Å |
| 242 | L | 91.6 | Very high | 91.6 | Very high | 26 Ų | 26 | 46.5 Ų | 46.5 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -73.7 | -30.5 | 179.8 | -65 | -175 | 0 | 0 | 0 | 113.1 | L238 F240 G246 T247 I259 | L238-L242 HydrophobicContact CD2-CD1 3.64Å; L238-L242 HydrophobicContact CD2-CG 4.3Å; L238-L242 HydrophobicContact CG-CD1 4.28Å; L238-L242 WeakPolarHBondContact O-CG 3.46Å; L238-L242 PolarHBondContact O-N 2.91Å; F240-L242 VanDerWaalsContact C-N 3.29Å; F240-L242 PolarHBondContact O-N 2.68Å; L242-G246 WeakPolarHBondContact O-CA 3.33Å; L242-G246 PolarHBondContact O-N 2.78Å; L242-G246 VanDerWaalsContact O-N 3.12Å; L242-T247 PolarHBondContact O-N 2.85Å; L242-I259 HydrophobicContact CD2-CG2 4.38Å |
| 243 | A | 92.4 | Very high | 91.2 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 22% | 0.223 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.8 | -55.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A239 F240 L245 G246 I315 T317 | A239-A243 WeakPolarHBondContact O-CB 3.48Å; A239-A243 PolarHBondContact O-N 2.85Å; F240-A243 PolarHBondContact O-N 2.95Å; A243-L245 PolarHBondContact O-N 2.73Å; A243-G246 PolarHBondContact O-N 3.2Å; A243-G246 VanDerWaalsContact O-N 3.13Å; A243-I315 HydrophobicContact CB-CG2 3.89Å; A243-T317 HydrophobicContact CB-CG2 4.17Å |
| 244 | E | 91.9 | Very high | 90.8 | Very high | 81 Ų | 81 | 48.4 Ų | 48.4 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | -178.2 | -76.2 | -77 | 102.5 | 0 | 0 | 113.1 | F240 G246 V271 R274 | F240-E244 HydrophobicContact CD1-CG 4.11Å; F240-E244 HydrophobicContact CE1-CG 3.63Å; F240-E244 HydrophobicContact CE2-CG 4.12Å; F240-E244 HydrophobicContact CZ-CG 3.64Å; F240-E244 PolarHBondContact O-N 3.31Å; E244-G246 VanDerWaalsContact C-N 3.33Å; E244-V271 HydrophobicContact CB-CG1 3.59Å; E244-V271 HydrophobicContact CB-CG2 4.18Å; E244-V271 HydrophobicContact CG-CG1 3.89Å; E244-R274 WeakPolarHBondContact OE2-CD 3.19Å; E244-R274 IonicContact OE2-CZ 3.76Å; E244-R274 IonicContact OE2-NE 2.69Å; E244-R274 IonicContact OE2-NH1 3.14Å; E244-R274 PolarHBondContact OE2-NH1 2.72Å |
| 245 | L | 89.8 | Confident | 90.5 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -3.6 | 176.7 | -59.6 | 173.3 | 0 | 0 | 0 | 113.1 | L241 A243 T247 I259 F263 I268 V271 | L241-L245 WeakPolarHBondContact O-CB 3.38Å; L241-L245 WeakPolarHBondContact O-CD1 3.43Å; L241-L245 WeakPolarHBondContact O-CG 3.48Å; L241-L245 PolarHBondContact O-N 2.91Å; A243-L245 PolarHBondContact O-N 2.73Å; L245-T247 WeakPolarHBondContact CB-OG1 3.42Å; L245-T247 WeakPolarHBondContact O-CG2 3.39Å; L245-T247 PolarHBondContact O-N 3.36Å; L245-T247 VanDerWaalsContact O-N 3.08Å; L245-T247 PolarHBondContact O-OG1 3.48Å; L245-I259 HydrophobicContact CD1-CD1 3.94Å; L245-F263 HydrophobicContact CB-CE1 4.32Å; L245-F263 HydrophobicContact CB-CZ 4.07Å; L245-F263 HydrophobicContact CD1-CZ 4.44Å; L245-F263 HydrophobicContact CD2-CD1 4.11Å; L245-F263 HydrophobicContact CD2-CE1 3.82Å; L245-F263 HydrophobicContact CD2-CZ 4.37Å; L245-F263 HydrophobicContact CG-CE1 4.46Å; L245-I268 HydrophobicContact CD1-CD1 3.7Å; L245-I268 HydrophobicContact CD2-CD1 4.4Å; L245-V271 HydrophobicContact CD2-CG2 4Å |
| 246 | G | 89.9 | Confident | 90.4 | Very high | 50 Ų | 50 | 44.9 Ų | 44.9 | 52% | 0.515 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 18.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L242 A243 E244 Q320 | L242-G246 WeakPolarHBondContact O-CA 3.33Å; L242-G246 PolarHBondContact O-N 2.78Å; L242-G246 VanDerWaalsContact O-N 3.12Å; A243-G246 PolarHBondContact O-N 3.2Å; A243-G246 VanDerWaalsContact O-N 3.13Å; E244-G246 VanDerWaalsContact C-N 3.33Å; G246-Q320 PolarHBondContact O-NE2 2.97Å |
| 247 | T | 88.6 | Confident | 90.4 | Very high | 33 Ų | 33 | 44.3 Ų | 44.3 | 20% | 0.202 | 28% | 0.283 | C | S | . | . | trans | -112.7 | -173.2 | -168.1 | 43.5 | 0 | 0 | 0 | 0 | 112.9 | L242 L245 I259 K260 F263 Q320 | L242-T247 PolarHBondContact O-N 2.85Å; L245-T247 WeakPolarHBondContact CB-OG1 3.42Å; L245-T247 WeakPolarHBondContact O-CG2 3.39Å; L245-T247 PolarHBondContact O-N 3.36Å; L245-T247 VanDerWaalsContact O-N 3.08Å; L245-T247 PolarHBondContact O-OG1 3.48Å; T247-I259 WeakPolarHBondContact OG1-CG2 3.48Å; T247-K260 VanDerWaalsContact CG2-O 3.27Å; T247-K260 WeakPolarHBondContact CG2-O 3.18Å; T247-F263 HydrophobicContact CG2-CE2 4.14Å; T247-F263 HydrophobicContact CG2-CZ 3.83Å; T247-Q320 VanDerWaalsContact C-NE2 3.29Å; T247-Q320 PolarHBondContact O-NE2 2.84Å | ||
| 248 | S | 88.9 | Confident | 90.4 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | trans | -129.6 | 138.4 | 166.5 | 53.8 | 0 | 0 | 0 | 0 | 109.8 | K260 | S248-K260 WeakPolarHBondContact O-CB 3.44Å; S248-K260 WeakPolarHBondContact O-CD 3.38Å; S248-K260 VanDerWaalsContact O-CG 3.28Å; S248-K260 WeakPolarHBondContact O-CG 3.42Å; S248-K260 PolarHBondContact O-N 3.01Å; S248-K260 VanDerWaalsContact O-N 3.15Å; S248-K260 PolarHBondContact OG-NZ 3.2Å | ||
| 249 | G | 90.6 | Very high | 90.5 | Very high | 20 Ų | 20 | 44 Ų | 44 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | V258 | G249-V258 CarbonylContact C-O 3.56Å; G249-V258 WeakPolarHBondContact CA-O 3.48Å |
| 250 | S | 90.9 | Very high | 90.4 | Very high | 70 Ų | 70 | 48.1 Ų | 48.1 | 49% | 0.49 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 146.1 | 179.5 | 51.9 | 0 | 0 | 0 | 0 | 109.4 | V258 | S250-V258 PolarHBondContact N-O 2.97Å; S250-V258 PolarHBondContact O-N 3.26Å |
| 251 | I | 91.2 | Very high | 90.2 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 36% | 0.359 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 134.5 | 163.5 | -70.3 | 164.7 | 0 | 0 | 0 | 107.5 | F223 P234 L238 Q256 | F223-I251 HydrophobicContact CD1-CD1 4.39Å; F223-I251 HydrophobicContact CD1-CG1 4.3Å; F223-I251 HydrophobicContact CE1-CD1 3.74Å; F223-I251 HydrophobicContact CE1-CG1 4.01Å; P234-I251 HydrophobicContact CB-CD1 4.38Å; L238-I251 HydrophobicContact CD1-CD1 3.91Å; L238-I251 HydrophobicContact CD1-CG1 3.78Å; I251-Q256 WeakPolarHBondContact CA-O 3.39Å |
| 252 | D | 90.8 | Very high | 90.1 | Very high | 66 Ų | 66 | 57.6 Ų | 57.6 | 35% | 0.353 | 34% | 0.337 | S | S | . | . | trans | -87.3 | 159.5 | 170.3 | -179.3 | 44.3 | 0 | 0 | 0 | 110.5 | N254 N255 Q256 V258 | D252-N254 PolarHBondContact O-N 2.81Å; D252-N254 VanDerWaalsContact O-N 3.1Å; D252-N254 WeakPolarHBondContact OD2-CB 3.43Å; D252-N254 PolarHBondContact OD2-N 2.98Å; D252-N254 PolarHBondContact OD2-ND2 3.15Å; D252-N255 PolarHBondContact O-N 2.87Å; D252-Q256 PolarHBondContact N-O 3.05Å; D252-V258 HydrophobicContact CB-CG2 4.09Å | ||
| 253 | G | 84.6 | Confident | 90.1 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 75% | 0.753 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -28.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N255 | G253-N255 PolarHBondContact O-N 2.89Å; G253-N255 VanDerWaalsContact O-N 3.1Å |
| 254 | N | 83.9 | Confident | 90.1 | Very high | 116 Ų | 116 | 61.9 Ų | 61.9 | 62% | 0.62 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 19.9 | 175.6 | -56.9 | -65.7 | 0 | 0 | 0 | 114.1 | D252 Q256 | D252-N254 PolarHBondContact O-N 2.81Å; D252-N254 VanDerWaalsContact O-N 3.1Å; D252-N254 WeakPolarHBondContact OD2-CB 3.43Å; D252-N254 PolarHBondContact OD2-N 2.98Å; D252-N254 PolarHBondContact OD2-ND2 3.15Å; N254-Q256 HydrophobicContact CB-CG 4.26Å; N254-Q256 WeakPolarHBondContact O-CG 3.34Å; N254-Q256 PolarHBondContact O-N 2.89Å |
| 255 | N | 86.3 | Confident | 90.1 | Very high | 90 Ų | 90 | 62.5 Ų | 62.5 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 61.7 | 4 | -177.5 | -70.5 | -60.4 | 0 | 0 | 0 | 116.5 | T224 D252 G253 | T224-N255 HydrophobicContact CG2-CB 3.69Å; D252-N255 PolarHBondContact O-N 2.87Å; G253-N255 PolarHBondContact O-N 2.89Å; G253-N255 VanDerWaalsContact O-N 3.1Å |
| 256 | Q | 90.4 | Very high | 90.1 | Very high | 55 Ų | 55 | 69 Ų | 69 | 26% | 0.257 | 38% | 0.381 | S | S | . | . | trans | -81.7 | 145.4 | 178.3 | -46.5 | -175.9 | 21 | 0 | 0 | 111.3 | S219 F220 V221 I251 D252 N254 | S219-Q256 WeakPolarHBondContact OG-CB 3.33Å; S219-Q256 PolarHBondContact OG-OE1 3.28Å; F220-Q256 WeakPolarHBondContact O-CA 3.17Å; V221-Q256 HydrophobicContact CG1-CG 4.48Å; I251-Q256 WeakPolarHBondContact CA-O 3.39Å; D252-Q256 PolarHBondContact N-O 3.05Å; N254-Q256 HydrophobicContact CB-CG 4.26Å; N254-Q256 WeakPolarHBondContact O-CG 3.34Å; N254-Q256 PolarHBondContact O-N 2.89Å | ||
| 257 | L | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 111.8 | 174 | 172.9 | 58.2 | 0 | 0 | 0 | 110.8 | S219 F220 F223 L238 L241 I259 | S219-L257 CarbonylContact C-O 3.51Å; S219-L257 WeakPolarHBondContact CA-O 3.34Å; F220-L257 HydrophobicContact CB-CB 4.3Å; F220-L257 PolarHBondContact N-O 3.35Å; F220-L257 PolarHBondContact O-N 3.37Å; F223-L257 HydrophobicContact CB-CB 3.96Å; F223-L257 HydrophobicContact CD1-CB 4.14Å; F223-L257 HydrophobicContact CD2-CB 3.85Å; F223-L257 HydrophobicContact CD2-CD2 3.69Å; F223-L257 HydrophobicContact CD2-CG 4.42Å; F223-L257 HydrophobicContact CE2-CB 4.42Å; F223-L257 HydrophobicContact CE2-CD2 3.63Å; F223-L257 HydrophobicContact CG-CB 3.69Å; F223-L257 HydrophobicContact CG-CD2 4.38Å; F223-L257 HydrophobicContact CZ-CD2 4.28Å; L238-L257 HydrophobicContact CD1-CD1 3.9Å; L238-L257 HydrophobicContact CG-CD1 4.31Å; L241-L257 HydrophobicContact CD1-CD2 3.62Å; L257-I259 HydrophobicContact CD1-CG1 4.46Å; L257-I259 HydrophobicContact CD2-CD1 4.22Å; L257-I259 HydrophobicContact CD2-CG1 4.28Å; L257-I259 HydrophobicContact CG-CD1 4.33Å; L257-I259 HydrophobicContact CG-CG1 3.89Å |
| 258 | V | 93.1 | Very high | 90.3 | Very high | 28 Ų | 28 | 69.3 Ų | 69.3 | 17% | 0.17 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 110.3 | 178.1 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | K217 G249 S250 D252 | K217-V258 HydrophobicContact CB-CG1 4.21Å; K217-V258 HydrophobicContact CD-CG1 3.99Å; K217-V258 HydrophobicContact CG-CG1 4.5Å; G249-V258 CarbonylContact C-O 3.56Å; G249-V258 WeakPolarHBondContact CA-O 3.48Å; S250-V258 PolarHBondContact N-O 2.97Å; S250-V258 PolarHBondContact O-N 3.26Å; D252-V258 HydrophobicContact CB-CG2 4.09Å |
| 259 | I | 93.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.015 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.3 | -179 | -46.1 | -180 | 0 | 0 | 0 | 109.8 | K217 T218 L242 L245 T247 L257 G261 F263 I268 | K217-I259 WeakPolarHBondContact CA-O 3.17Å; T218-I259 PolarHBondContact N-O 3.44Å; T218-I259 PolarHBondContact O-N 2.84Å; L242-I259 HydrophobicContact CD2-CG2 4.38Å; L245-I259 HydrophobicContact CD1-CD1 3.94Å; T247-I259 WeakPolarHBondContact OG1-CG2 3.48Å; L257-I259 HydrophobicContact CD1-CG1 4.46Å; L257-I259 HydrophobicContact CD2-CD1 4.22Å; L257-I259 HydrophobicContact CD2-CG1 4.28Å; L257-I259 HydrophobicContact CG-CD1 4.33Å; L257-I259 HydrophobicContact CG-CG1 3.89Å; I259-G261 PolarHBondContact O-N 3.11Å; I259-F263 HydrophobicContact CG2-CD2 4.09Å; I259-F263 HydrophobicContact CG2-CE2 3.66Å; I259-I268 HydrophobicContact CD1-CD1 4.32Å |
| 260 | K | 91.1 | Very high | 90.6 | Very high | 120 Ų | 120 | 73.3 Ų | 73.3 | 52% | 0.522 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 117.6 | 171.7 | -62.5 | 168.6 | -155.4 | 156 | 0 | 109.4 | T247 S248 | T247-K260 VanDerWaalsContact CG2-O 3.27Å; T247-K260 WeakPolarHBondContact CG2-O 3.18Å; S248-K260 WeakPolarHBondContact O-CB 3.44Å; S248-K260 WeakPolarHBondContact O-CD 3.38Å; S248-K260 VanDerWaalsContact O-CG 3.28Å; S248-K260 WeakPolarHBondContact O-CG 3.42Å; S248-K260 PolarHBondContact O-N 3.01Å; S248-K260 VanDerWaalsContact O-N 3.15Å; S248-K260 PolarHBondContact OG-NZ 3.2Å |
| 261 | G | 90.4 | Very high | 90.7 | Very high | 23 Ų | 23 | 70.4 Ų | 70.4 | 24% | 0.237 | 36% | 0.357 | C | S | . | . | S | Bend | trans | 143.3 | 178.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K216 K217 T218 I259 | K216-G261 CarbonylContact C-O 3.57Å; K216-G261 PolarHBondContact O-N 3.47Å; K217-G261 CarbonylContact C-O 3.43Å; T218-G261 PolarHBondContact N-O 3.06Å; T218-G261 PolarHBondContact OG1-O 3.23Å; I259-G261 PolarHBondContact O-N 3.11Å |
| 262 | R | 90.4 | Very high | 90.7 | Very high | 188 Ų | 188 | 67.1 Ų | 67.1 | 71% | 0.709 | 34% | 0.341 | S | S | * | . | trans | -115.9 | 100.5 | 170.6 | -69.4 | -177.6 | -179.9 | -171 | -1.1 | 107.9 | T215 | T215-R262 PolarHBondContact O-NE 2.91Å; T215-R262 PolarHBondContact O-NH2 2.84Å; T215-R262 VanDerWaalsContact O-NH2 3.07Å | ||
| 263 | F | 91.6 | Very high | 90.7 | Very high | 32 Ų | 32 | 71.8 Ų | 71.8 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | trans | -108 | 145.9 | 179.7 | -66.6 | -72.5 | 0 | 0 | 0 | 111.7 | T218 L245 T247 I259 I268 | T218-F263 HydrophobicContact CG2-CB 4.41Å; T218-F263 PolarHBondContact OG1-N 3.11Å; L245-F263 HydrophobicContact CB-CE1 4.32Å; L245-F263 HydrophobicContact CB-CZ 4.07Å; L245-F263 HydrophobicContact CD1-CZ 4.44Å; L245-F263 HydrophobicContact CD2-CD1 4.11Å; L245-F263 HydrophobicContact CD2-CE1 3.82Å; L245-F263 HydrophobicContact CD2-CZ 4.37Å; L245-F263 HydrophobicContact CG-CE1 4.46Å; T247-F263 HydrophobicContact CG2-CE2 4.14Å; T247-F263 HydrophobicContact CG2-CZ 3.83Å; I259-F263 HydrophobicContact CG2-CD2 4.09Å; I259-F263 HydrophobicContact CG2-CE2 3.66Å; F263-I268 HydrophobicContact CB-CD1 4.01Å; F263-I268 HydrophobicContact CB-CG1 4.29Å; F263-I268 HydrophobicContact CG-CD1 4.26Å | ||
| 264 | Q | 92.1 | Very high | 91.1 | Very high | 111 Ų | 111 | 73.8 Ų | 73.8 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | trans | -94.3 | 150 | 169.5 | -58.9 | -171.7 | 9.2 | 0 | 0 | 109.9 | K266 Q267 I268 | Q264-K266 VanDerWaalsContact C-N 3.28Å; Q264-K266 PolarHBondContact O-N 3.37Å; Q264-Q267 HydrophobicContact CB-CG 4.29Å; Q264-Q267 WeakPolarHBondContact O-CB 3.49Å; Q264-Q267 PolarHBondContact O-N 3.43Å; Q264-I268 PolarHBondContact O-N 3.44Å | ||
| 265 | Q | 90.9 | Very high | 91.6 | Very high | 95 Ų | 95 | 68.3 Ų | 68.3 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -52.8 | -44.6 | 178.9 | -166.8 | 178.1 | 11.9 | 0 | 0 | 112.4 | P208 V210 Q267 I268 E269 | P208-Q265 HydrophobicContact CG-CG 4.44Å; P208-Q265 WeakPolarHBondContact O-CG 3.44Å; P208-Q265 PolarHBondContact O-NE2 2.81Å; V210-Q265 HydrophobicContact CG2-CG 4.3Å; Q265-Q267 PolarHBondContact O-N 3.49Å; Q265-I268 PolarHBondContact O-N 2.85Å; Q265-E269 WeakPolarHBondContact O-CB 3.37Å; Q265-E269 PolarHBondContact O-N 3.46Å |
| 266 | K | 91.1 | Very high | 91.8 | Very high | 164 Ų | 164 | 65.5 Ų | 65.5 | 71% | 0.713 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -56.8 | -31.4 | 176.1 | -63.8 | -172.8 | 177.1 | -173.7 | 0 | 114.1 | Q264 N270 | Q264-K266 VanDerWaalsContact C-N 3.28Å; Q264-K266 PolarHBondContact O-N 3.37Å; K266-N270 WeakPolarHBondContact O-CB 3.27Å; K266-N270 PolarHBondContact O-N 3.2Å; K266-N270 VanDerWaalsContact O-N 3.13Å |
| 267 | Q | 91.4 | Very high | 91.8 | Very high | 88 Ų | 88 | 70.7 Ų | 70.7 | 41% | 0.411 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74.5 | -45.8 | 179 | -65.2 | 169.2 | -36.1 | 0 | 0 | 110.7 | Q264 Q265 E269 N270 V271 | Q264-Q267 HydrophobicContact CB-CG 4.29Å; Q264-Q267 WeakPolarHBondContact O-CB 3.49Å; Q264-Q267 PolarHBondContact O-N 3.43Å; Q265-Q267 PolarHBondContact O-N 3.49Å; Q267-E269 VanDerWaalsContact C-N 3.32Å; Q267-E269 PolarHBondContact O-N 3.29Å; Q267-N270 PolarHBondContact O-N 2.75Å; Q267-V271 PolarHBondContact O-N 3.21Å |
| 268 | I | 91.6 | Very high | 91.8 | Very high | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.9 | -56.9 | -57.5 | 0 | 0 | 0 | 110.4 | V210 F220 L245 I259 F263 Q264 Q265 N270 V271 L272 | V210-I268 HydrophobicContact CG2-CB 4.31Å; V210-I268 HydrophobicContact CG2-CG1 4.12Å; V210-I268 HydrophobicContact CG2-CG2 4.44Å; F220-I268 HydrophobicContact CE1-CG2 4.5Å; L245-I268 HydrophobicContact CD1-CD1 3.7Å; L245-I268 HydrophobicContact CD2-CD1 4.4Å; I259-I268 HydrophobicContact CD1-CD1 4.32Å; F263-I268 HydrophobicContact CB-CD1 4.01Å; F263-I268 HydrophobicContact CB-CG1 4.29Å; F263-I268 HydrophobicContact CG-CD1 4.26Å; Q264-I268 PolarHBondContact O-N 3.44Å; Q265-I268 PolarHBondContact O-N 2.85Å; I268-N270 PolarHBondContact O-N 3.15Å; I268-V271 PolarHBondContact O-N 3.35Å; I268-L272 HydrophobicContact CG2-CD1 3.89Å; I268-L272 HydrophobicContact CG2-CG 4.33Å; I268-L272 WeakPolarHBondContact O-CG 3.47Å; I268-L272 PolarHBondContact O-N 3.27Å |
| 269 | E | 91.3 | Very high | 91.7 | Very high | 62 Ų | 62 | 73.3 Ų | 73.3 | 29% | 0.29 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 177.5 | -164.5 | -162.8 | 144.1 | 0 | 0 | 112.8 | P208 Q265 Q267 V271 L272 R273 | P208-E269 HydrophobicContact CG-CB 4.4Å; Q265-E269 WeakPolarHBondContact O-CB 3.37Å; Q265-E269 PolarHBondContact O-N 3.46Å; Q267-E269 VanDerWaalsContact C-N 3.32Å; Q267-E269 PolarHBondContact O-N 3.29Å; E269-V271 PolarHBondContact O-N 2.93Å; E269-L272 PolarHBondContact O-N 2.92Å; E269-R273 WeakPolarHBondContact O-CB 3.31Å; E269-R273 VanDerWaalsContact O-CG 3.31Å; E269-R273 WeakPolarHBondContact O-CG 3.33Å; E269-R273 PolarHBondContact O-N 3.43Å; E269-R273 IonicContact OE1-CZ 3.2Å; E269-R273 IonicContact OE1-NE 2.68Å; E269-R273 PolarHBondContact OE1-NE 3.24Å; E269-R273 IonicContact OE1-NH2 3.45Å; E269-R273 PolarHBondContact OE1-NH2 3.06Å |
| 270 | N | 93.3 | Very high | 91.6 | Very high | 84 Ų | 84 | 73.2 Ų | 73.2 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61 | -44 | 176.2 | -174.4 | -26.2 | 0 | 0 | 0 | 111.7 | K266 Q267 I268 R273 R274 | K266-N270 WeakPolarHBondContact O-CB 3.27Å; K266-N270 PolarHBondContact O-N 3.2Å; K266-N270 VanDerWaalsContact O-N 3.13Å; Q267-N270 PolarHBondContact O-N 2.75Å; I268-N270 PolarHBondContact O-N 3.15Å; N270-R273 PolarHBondContact O-N 3.26Å; N270-R274 PolarHBondContact O-N 3.31Å; N270-R274 PolarHBondContact OD1-NE 3.3Å; N270-R274 PolarHBondContact OD1-NH2 3.24Å |
| 271 | V | 92.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 69.2 Ų | 69.2 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66 | -40.6 | 176.2 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | F240 L241 E244 L245 Q267 I268 E269 R274 Y275 | F240-V271 HydrophobicContact CD1-CG1 4.09Å; F240-V271 HydrophobicContact CE1-CG1 3.77Å; L241-V271 HydrophobicContact CD2-CB 4.34Å; L241-V271 HydrophobicContact CD2-CG1 3.78Å; E244-V271 HydrophobicContact CB-CG1 3.59Å; E244-V271 HydrophobicContact CB-CG2 4.18Å; E244-V271 HydrophobicContact CG-CG1 3.89Å; L245-V271 HydrophobicContact CD2-CG2 4Å; Q267-V271 PolarHBondContact O-N 3.21Å; I268-V271 PolarHBondContact O-N 3.35Å; E269-V271 PolarHBondContact O-N 2.93Å; V271-R274 WeakPolarHBondContact O-CB 3.44Å; V271-R274 PolarHBondContact O-N 2.92Å; V271-Y275 PolarHBondContact O-N 3.39Å |
| 272 | L | 91.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 175.5 | -69.9 | 172.6 | 0 | 0 | 0 | 112.4 | M205 P208 F220 L237 L241 I268 E269 R274 Y275 I276 | M205-L272 HydrophobicContact CE-CD1 4.17Å; P208-L272 HydrophobicContact CB-CD1 4.12Å; P208-L272 HydrophobicContact CG-CD1 4.49Å; F220-L272 HydrophobicContact CE1-CD1 4.32Å; F220-L272 HydrophobicContact CZ-CD1 3.95Å; L237-L272 HydrophobicContact CD2-CD2 3.9Å; L241-L272 HydrophobicContact CD2-CD2 4.23Å; I268-L272 HydrophobicContact CG2-CD1 3.89Å; I268-L272 HydrophobicContact CG2-CG 4.33Å; I268-L272 WeakPolarHBondContact O-CG 3.47Å; I268-L272 PolarHBondContact O-N 3.27Å; E269-L272 PolarHBondContact O-N 2.92Å; L272-R274 VanDerWaalsContact C-N 3.29Å; L272-R274 PolarHBondContact O-N 3.49Å; L272-Y275 PolarHBondContact O-N 3.36Å; L272-I276 VanDerWaalsContact O-CG1 3.27Å; L272-I276 WeakPolarHBondContact O-CG1 3.48Å; L272-I276 PolarHBondContact O-N 2.96Å |
| 273 | R | 91.2 | Very high | 91.5 | Very high | 164 Ų | 164 | 64.7 Ų | 64.7 | 62% | 0.619 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.5 | -37.5 | 173 | -74.2 | 172.6 | -180 | -88.8 | 3.8 | 111.9 | E269 N270 K277 | E269-R273 WeakPolarHBondContact O-CB 3.31Å; E269-R273 VanDerWaalsContact O-CG 3.31Å; E269-R273 WeakPolarHBondContact O-CG 3.33Å; E269-R273 PolarHBondContact O-N 3.43Å; E269-R273 IonicContact OE1-CZ 3.2Å; E269-R273 IonicContact OE1-NE 2.68Å; E269-R273 PolarHBondContact OE1-NE 3.24Å; E269-R273 IonicContact OE1-NH2 3.45Å; E269-R273 PolarHBondContact OE1-NH2 3.06Å; N270-R273 PolarHBondContact O-N 3.26Å; R273-K277 PolarHBondContact O-N 2.9Å |
| 274 | R | 92.4 | Very high | 91.4 | Very high | 115 Ų | 115 | 67.4 Ų | 67.4 | 43% | 0.434 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -51.6 | 171.7 | -118 | 175.2 | -76.7 | -179.3 | -13.7 | 111.6 | F240 E244 N270 V271 L272 I276 K277 E278 | F240-R274 HydrophobicContact CZ-CB 4.47Å; E244-R274 WeakPolarHBondContact OE2-CD 3.19Å; E244-R274 IonicContact OE2-CZ 3.76Å; E244-R274 IonicContact OE2-NE 2.69Å; E244-R274 IonicContact OE2-NH1 3.14Å; E244-R274 PolarHBondContact OE2-NH1 2.72Å; N270-R274 PolarHBondContact O-N 3.31Å; N270-R274 PolarHBondContact OD1-NE 3.3Å; N270-R274 PolarHBondContact OD1-NH2 3.24Å; V271-R274 WeakPolarHBondContact O-CB 3.44Å; V271-R274 PolarHBondContact O-N 2.92Å; L272-R274 VanDerWaalsContact C-N 3.29Å; L272-R274 PolarHBondContact O-N 3.49Å; R274-I276 VanDerWaalsContact C-N 3.33Å; R274-I276 PolarHBondContact O-N 2.86Å; R274-K277 PolarHBondContact O-N 3.21Å; R274-E278 PolarHBondContact O-N 3.49Å |
| 275 | Y | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -55.4 | -46.1 | 178.1 | -177.2 | -103.1 | 0 | 0 | 0 | 112.6 | R232 H236 L237 F240 V271 L272 K277 E278 Y279 V280 | R232-Y275 HydrophobicContact CG-CE1 4.27Å; H236-Y275 AromaticContact CE1-CE2 3.93Å; H236-Y275 AromaticContact ND1-CE2 3.64Å; H236-Y275 AromaticContact ND1-CZ 3.75Å; H236-Y275 PolarHBondContact ND1-OH 3.48Å; L237-Y275 HydrophobicContact CB-CE1 4.41Å; L237-Y275 HydrophobicContact CD1-CD1 3.92Å; L237-Y275 HydrophobicContact CD1-CE1 3.52Å; L237-Y275 HydrophobicContact CG-CD1 4.09Å; L237-Y275 HydrophobicContact CG-CE1 3.79Å; L237-Y275 HydrophobicContact CG-CE2 4.45Å; F240-Y275 HydrophobicContact CB-CD2 3.86Å; F240-Y275 HydrophobicContact CB-CE2 4.05Å; F240-Y275 AromaticContact CD1-CD2 3.53Å; F240-Y275 HydrophobicContact CD1-CD2 3.53Å; F240-Y275 HydrophobicContact CD1-CG 4.04Å; F240-Y275 HydrophobicContact CD2-CD2 4.01Å; F240-Y275 HydrophobicContact CE1-CD2 4.02Å; F240-Y275 HydrophobicContact CE1-CG 4.29Å; F240-Y275 HydrophobicContact CE2-CD2 4.47Å; F240-Y275 AromaticContact CG-CD2 3.52Å; F240-Y275 HydrophobicContact CG-CD2 3.52Å; F240-Y275 HydrophobicContact CG-CE2 4.17Å; F240-Y275 HydrophobicContact CG-CG 4.46Å; F240-Y275 HydrophobicContact CZ-CD2 4.47Å; V271-Y275 PolarHBondContact O-N 3.39Å; L272-Y275 PolarHBondContact O-N 3.36Å; Y275-K277 PolarHBondContact O-N 2.98Å; Y275-E278 PolarHBondContact O-N 3.24Å; Y275-Y279 AromaticContact CD2-CD2 3.77Å; Y275-Y279 HydrophobicContact CD2-CD2 3.77Å; Y275-Y279 HydrophobicContact CD2-CG 4.06Å; Y275-Y279 HydrophobicContact CE2-CD2 4.06Å; Y275-Y279 AromaticContact CE2-CG 3.87Å; Y275-Y279 HydrophobicContact CE2-CG 3.87Å; Y275-Y279 WeakPolarHBondContact O-CB 3.37Å; Y275-Y279 PolarHBondContact O-N 3.37Å; Y275-V280 HydrophobicContact CD1-CG2 4.1Å; Y275-V280 HydrophobicContact CE1-CG2 3.82Å |
| 276 | I | 91.9 | Very high | 90.9 | Very high | 31 Ų | 31 | 69.1 Ų | 69.1 | 16% | 0.159 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 180 | -69.7 | 164.1 | 0 | 0 | 0 | 110.8 | M205 L230 L272 R274 E278 V280 T281 | M205-I276 HydrophobicContact SD-CD1 3.93Å; L230-I276 HydrophobicContact CD1-CG1 4.4Å; L230-I276 HydrophobicContact CD2-CD1 4.28Å; L230-I276 HydrophobicContact CD2-CG1 4.02Å; L272-I276 VanDerWaalsContact O-CG1 3.27Å; L272-I276 WeakPolarHBondContact O-CG1 3.48Å; L272-I276 PolarHBondContact O-N 2.96Å; R274-I276 VanDerWaalsContact C-N 3.33Å; R274-I276 PolarHBondContact O-N 2.86Å; I276-E278 VanDerWaalsContact C-N 3.27Å; I276-E278 PolarHBondContact O-N 3.31Å; I276-V280 HydrophobicContact CG2-CB 4.38Å; I276-V280 WeakPolarHBondContact O-CB 3.34Å; I276-V280 PolarHBondContact O-N 3.28Å; I276-V280 VanDerWaalsContact O-N 3.15Å; I276-T281 HydrophobicContact CG2-CG2 4.08Å; I276-T281 PolarHBondContact O-N 3.3Å; I276-T281 PolarHBondContact O-OG1 3.13Å |
| 277 | K | 90.8 | Very high | 90.7 | Very high | 163 Ų | 163 | 61.9 Ų | 61.9 | 71% | 0.709 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.2 | -32.5 | -177.9 | -171.5 | -177.8 | 175.5 | -170.4 | 0 | 113.5 | R273 R274 Y275 T281 | R273-K277 PolarHBondContact O-N 2.9Å; R274-K277 PolarHBondContact O-N 3.21Å; Y275-K277 PolarHBondContact O-N 2.98Å; K277-T281 WeakPolarHBondContact CA-OG1 3.16Å; K277-T281 PolarHBondContact O-OG1 3.26Å |
| 278 | E | 90.9 | Very high | 90.4 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -107.5 | -30.2 | -169.8 | -167.7 | 177.4 | 152.2 | 0 | 0 | 113.6 | R274 Y275 I276 | R274-E278 PolarHBondContact O-N 3.49Å; Y275-E278 PolarHBondContact O-N 3.24Å; I276-E278 VanDerWaalsContact C-N 3.27Å; I276-E278 PolarHBondContact O-N 3.31Å |
| 279 | Y | 92.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 65 Ų | 65 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -119.3 | -0.5 | -173.8 | -59.3 | -93.7 | 0 | 0 | 0 | 114.6 | R232 H236 F240 Y275 V312 A313 I315 | R232-Y279 PolarHBondContact NE-O 3.02Å; R232-Y279 PolarHBondContact NH2-O 3.05Å; H236-Y279 AromaticContact CE1-CD1 3.5Å; H236-Y279 AromaticContact CE1-CE1 3.95Å; F240-Y279 HydrophobicContact CD2-CD2 4.43Å; F240-Y279 AromaticContact CD2-CE2 3.89Å; F240-Y279 HydrophobicContact CD2-CE2 3.89Å; F240-Y279 HydrophobicContact CE2-CD2 4.23Å; F240-Y279 AromaticContact CE2-CE2 3.55Å; F240-Y279 HydrophobicContact CE2-CE2 3.55Å; F240-Y279 HydrophobicContact CZ-CE2 4.36Å; Y275-Y279 AromaticContact CD2-CD2 3.77Å; Y275-Y279 HydrophobicContact CD2-CD2 3.77Å; Y275-Y279 HydrophobicContact CD2-CG 4.06Å; Y275-Y279 HydrophobicContact CE2-CD2 4.06Å; Y275-Y279 AromaticContact CE2-CG 3.87Å; Y275-Y279 HydrophobicContact CE2-CG 3.87Å; Y275-Y279 WeakPolarHBondContact O-CB 3.37Å; Y275-Y279 PolarHBondContact O-N 3.37Å; Y279-V312 HydrophobicContact CD1-CG1 3.6Å; Y279-V312 HydrophobicContact CE1-CG1 3.45Å; Y279-V312 VanDerWaalsContact CE1-CG1 3.45Å; Y279-V312 HydrophobicContact CG-CG1 4.37Å; Y279-A313 WeakPolarHBondContact CE1-O 3.4Å; Y279-A313 PolarHBondContact OH-O 3.41Å; Y279-I315 HydrophobicContact CE1-CG1 4.43Å |
| 280 | V | 91.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.2 | -48.2 | -179.3 | -171.7 | 0 | 0 | 0 | 0 | 113 | L230 R232 Y275 I276 P288 T290 | L230-V280 HydrophobicContact CB-CG2 4.46Å; L230-V280 HydrophobicContact CD2-CG1 4.04Å; L230-V280 HydrophobicContact CD2-CG2 4.3Å; R232-V280 HydrophobicContact CG-CG2 4.35Å; Y275-V280 HydrophobicContact CD1-CG2 4.1Å; Y275-V280 HydrophobicContact CE1-CG2 3.82Å; I276-V280 HydrophobicContact CG2-CB 4.38Å; I276-V280 WeakPolarHBondContact O-CB 3.34Å; I276-V280 PolarHBondContact O-N 3.28Å; I276-V280 VanDerWaalsContact O-N 3.15Å; V280-P288 HydrophobicContact CG1-CB 4.47Å; V280-T290 WeakPolarHBondContact O-CG2 3.18Å; V280-T290 PolarHBondContact O-OG1 3.24Å |
| 281 | T | 90.8 | Very high | 90.3 | Very high | 35 Ų | 35 | 61.7 Ų | 61.7 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -75.3 | 129.8 | 176.3 | 51.4 | 0 | 0 | 0 | 0 | 111 | I276 K277 S287 | I276-T281 HydrophobicContact CG2-CG2 4.08Å; I276-T281 PolarHBondContact O-N 3.3Å; I276-T281 PolarHBondContact O-OG1 3.13Å; K277-T281 WeakPolarHBondContact CA-OG1 3.16Å; K277-T281 PolarHBondContact O-OG1 3.26Å; T281-S287 WeakPolarHBondContact CA-O 3.2Å |
| 282 | C | 91.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | trans | -61.5 | 140.3 | 172 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | T284 C285 R286 S287 T290 C303 C306 S308 | C282-T284 VanDerWaalsContact C-N 3.3Å; C282-T284 PolarHBondContact O-N 3.06Å; C282-T284 PolarHBondContact SG-OG1 2.79Å; C282-C285 VanDerWaalsContact CB-SG 3.58Å; C282-R286 WeakPolarHBondContact O-CA 3.46Å; C282-R286 PolarHBondContact O-N 2.69Å; C282-S287 PolarHBondContact N-O 2.98Å; C282-T290 HydrophobicContact CB-CG2 3.83Å; C282-C303 HydrophobicContact CB-CB 4.16Å; C282-C306 VanDerWaalsContact SG-SG 3.69Å; C282-S308 PolarHBondContact SG-OG 2.96Å | ||
| 283 | H | 88.3 | Confident | 90.3 | Very high | 113 Ų | 113 | 65.4 Ų | 65.4 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -23.1 | -176.9 | -72.8 | 60.6 | 0 | 0 | 0 | 113.4 | ||
| 284 | T | 89.3 | Confident | 90.2 | Very high | 90 Ų | 90 | 63.7 Ų | 63.7 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -67.1 | -179.7 | 54.4 | 0 | 0 | 0 | 0 | 111.7 | C282 C306 | C282-T284 VanDerWaalsContact C-N 3.3Å; C282-T284 PolarHBondContact O-N 3.06Å; C282-T284 PolarHBondContact SG-OG1 2.79Å; T284-C306 PolarHBondContact OG1-SG 2.99Å |
| 285 | C | 85.4 | Confident | 90 | Very high | 35 Ų | 35 | 61.4 Ų | 61.4 | 24% | 0.236 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -12.9 | -174.9 | 58.8 | 0 | 0 | 0 | 0 | 114.7 | M195 C282 S287 C303 T305 C306 | M195-C285 HydrophobicContact CE-CB 4.38Å; C282-C285 VanDerWaalsContact CB-SG 3.58Å; C285-S287 PolarHBondContact O-N 3.01Å; C285-S287 PolarHBondContact SG-OG 2.9Å; C285-C303 VanDerWaalsContact SG-SG 3.64Å; C285-T305 PolarHBondContact SG-OG1 2.7Å; C285-C306 HydrophobicContact CB-CB 4.42Å |
| 286 | R | 86.9 | Confident | 89.7 | Confident | 206 Ų | 206 | 67 Ų | 67 | 78% | 0.777 | 33% | 0.331 | S | S | * | . | trans | 62.7 | 13.5 | -177 | -48.9 | -179.3 | -173.1 | 175.4 | 2.8 | 115.7 | C282 | C282-R286 WeakPolarHBondContact O-CA 3.46Å; C282-R286 PolarHBondContact O-N 2.69Å | ||
| 287 | S | 85.5 | Confident | 89.4 | Confident | 13 Ų | 13 | 76.3 Ų | 76.3 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | trans | -64.2 | 149 | 170.9 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | T281 C282 C285 E289 C303 T305 | T281-S287 WeakPolarHBondContact CA-O 3.2Å; C282-S287 PolarHBondContact N-O 2.98Å; C285-S287 PolarHBondContact O-N 3.01Å; C285-S287 PolarHBondContact SG-OG 2.9Å; S287-E289 VanDerWaalsContact C-N 3.32Å; S287-C303 PolarHBondContact OG-SG 3.16Å; S287-C303 VanDerWaalsContact OG-SG 3.37Å; S287-T305 PolarHBondContact OG-OG1 3.1Å; S287-T305 VanDerWaalsContact OG-OG1 3.06Å | ||
| 288 | P | 86.9 | Confident | 89.4 | Confident | 46 Ų | 46 | 72.5 Ų | 72.5 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -78.1 | -19.6 | 171.5 | 33 | -34.4 | 0 | 0 | 0 | 112.5 | F203 V280 T290 | F203-P288 HydrophobicContact CD2-CB 3.91Å; F203-P288 HydrophobicContact CD2-CG 3.98Å; F203-P288 HydrophobicContact CE2-CB 4.29Å; F203-P288 HydrophobicContact CG-CB 4.5Å; V280-P288 HydrophobicContact CG1-CB 4.47Å; P288-T290 PolarHBondContact O-N 2.77Å; P288-T290 PolarHBondContact O-OG1 2.86Å |
| 289 | E | 88.7 | Confident | 89.5 | Confident | 108 Ų | 108 | 71.9 Ų | 71.9 | 51% | 0.505 | 35% | 0.346 | S | S | . | . | trans | -70.5 | 87.6 | -179.1 | -70.4 | 159.8 | 179.7 | 0 | 0 | 111.1 | S287 C303 E304 T305 | S287-E289 VanDerWaalsContact C-N 3.32Å; E289-C303 PolarHBondContact O-SG 3.48Å; E289-E304 HydrophobicContact CB-CB 4.41Å; E289-E304 PolarHBondContact O-N 3.29Å; E289-E304 VanDerWaalsContact O-N 3.11Å; E289-T305 HydrophobicContact CB-CG2 4.38Å; E289-T305 WeakPolarHBondContact OE2-CG2 3.48Å | ||
| 290 | T | 91.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.018 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 145.7 | -179.6 | 61.5 | 0 | 0 | 0 | 0 | 110 | R232 V280 C282 P288 L301 Q302 C303 | R232-T290 PolarHBondContact NH1-O 2.86Å; R232-T290 PolarHBondContact NH2-O 3.29Å; R232-T290 PolarHBondContact NH2-OG1 2.91Å; V280-T290 WeakPolarHBondContact O-CG2 3.18Å; V280-T290 PolarHBondContact O-OG1 3.24Å; C282-T290 HydrophobicContact CB-CG2 3.83Å; P288-T290 PolarHBondContact O-N 2.77Å; P288-T290 PolarHBondContact O-OG1 2.86Å; T290-L301 HydrophobicContact CG2-CD1 4.36Å; T290-L301 HydrophobicContact CG2-CG 4.31Å; T290-L301 WeakPolarHBondContact OG1-CD1 3.33Å; T290-Q302 CarbonylContact C-O 3.41Å; T290-Q302 WeakPolarHBondContact CA-O 3.46Å; T290-Q302 WeakPolarHBondContact CB-O 3.45Å; T290-C303 HydrophobicContact CG2-CB 4.13Å |
| 291 | I | 92.6 | Very high | 89.6 | Confident | 74 Ų | 74 | 73.4 Ų | 73.4 | 38% | 0.379 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 140.2 | 172.6 | -57.8 | 174 | 0 | 0 | 0 | 109.1 | Q293 Q302 E304 | I291-Q293 HydrophobicContact CG2-CG 4.12Å; I291-Q302 PolarHBondContact N-O 2.97Å; I291-Q302 PolarHBondContact O-N 3.05Å; I291-E304 WeakPolarHBondContact CD1-OE1 3.29Å; I291-E304 HydrophobicContact CG1-CG 4.42Å; I291-E304 WeakPolarHBondContact CG1-OE1 3.49Å |
| 292 | L | 92.6 | Very high | 89.8 | Confident | 31 Ų | 31 | 74.8 Ų | 74.8 | 16% | 0.162 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 104.2 | 169.6 | -166.9 | 79.3 | 0 | 0 | 0 | 110.2 | Y299 L301 | L292-Y299 HydrophobicContact CD2-CD1 4.02Å; L292-Y299 HydrophobicContact CG-CD1 4.2Å; L292-L301 HydrophobicContact CD1-CD1 4.27Å |
| 293 | Q | 92.1 | Very high | 89.9 | Confident | 58 Ų | 58 | 74.8 Ų | 74.8 | 27% | 0.271 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 162 | 173.6 | -72.3 | 170.5 | -2.5 | 0 | 0 | 111.2 | I291 Y299 F300 | I291-Q293 HydrophobicContact CG2-CG 4.12Å; Q293-Y299 WeakPolarHBondContact O-CA 3.48Å; Q293-F300 PolarHBondContact N-O 3.21Å; Q293-F300 PolarHBondContact O-N 3.47Å |
| 294 | K | 90.1 | Very high | 89.9 | Confident | 128 Ų | 128 | 74.1 Ų | 74.1 | 56% | 0.557 | 35% | 0.354 | S | S | * | . | trans | -135.5 | 78.7 | -177.5 | -171 | -149.4 | 169.7 | -159 | 0 | 111.4 | T296 Y299 | K294-T296 VanDerWaalsContact CE-O 3.3Å; K294-T296 WeakPolarHBondContact CE-O 3.35Å; K294-T296 PolarHBondContact O-N 3.05Å; K294-Y299 HydrophobicContact CB-CD1 3.84Å; K294-Y299 HydrophobicContact CB-CE1 3.83Å; K294-Y299 HydrophobicContact CD-CE1 4.09Å; K294-Y299 HydrophobicContact CG-CD1 3.85Å; K294-Y299 HydrophobicContact CG-CE1 3.61Å | ||
| 295 | D | 86.7 | Confident | 89.8 | Confident | 66 Ų | 66 | 70.9 Ų | 70.9 | 35% | 0.353 | 33% | 0.334 | S | S | . | . | trans | -83 | 109.8 | 175 | -61.9 | -3.7 | 0 | 0 | 0 | 109.1 | R297 F300 R309 | D295-R297 PolarHBondContact O-N 2.87Å; D295-F300 HydrophobicContact CB-CD2 3.94Å; D295-F300 HydrophobicContact CB-CE2 3.88Å; D295-R309 IonicContact OD2-CZ 2.79Å; D295-R309 IonicContact OD2-NH1 2.81Å; D295-R309 PolarHBondContact OD2-NH1 2.84Å; D295-R309 IonicContact OD2-NH2 2.68Å; D295-R309 PolarHBondContact OD2-NH2 2.93Å | ||
| 296 | T | 87.9 | Confident | 89.9 | Confident | 120 Ų | 120 | 71.7 Ų | 71.7 | 74% | 0.736 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | -111.9 | -178.1 | 74.8 | 0 | 0 | 0 | 0 | 114.8 | K294 | K294-T296 VanDerWaalsContact CE-O 3.3Å; K294-T296 WeakPolarHBondContact CE-O 3.35Å; K294-T296 PolarHBondContact O-N 3.05Å |
| 297 | R | 86.2 | Confident | 90 | Very high | 226 Ų | 226 | 68.6 Ų | 68.6 | 85% | 0.853 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -12.4 | -174.3 | -61.2 | -177.7 | -178.3 | -178 | 1.4 | 113.4 | D295 | D295-R297 PolarHBondContact O-N 2.87Š|
| 298 | L | 90.7 | Very high | 90.2 | Very high | 83 Ų | 83 | 69.4 Ų | 69.4 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -107.1 | 161 | -177.6 | -60.3 | 179.1 | 0 | 0 | 0 | 110.5 | F300 | L298-F300 HydrophobicContact CB-CE2 4.13Š|
| 299 | Y | 92.3 | Very high | 90.4 | Very high | 62 Ų | 62 | 73 Ų | 73 | 24% | 0.243 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139.6 | 169 | -67.4 | -79.1 | 0 | 0 | 0 | 109.5 | H236 L292 Q293 K294 V312 | H236-Y299 AromaticContact CD2-CZ 3.93Å; L292-Y299 HydrophobicContact CD2-CD1 4.02Å; L292-Y299 HydrophobicContact CG-CD1 4.2Å; Q293-Y299 WeakPolarHBondContact O-CA 3.48Å; K294-Y299 HydrophobicContact CB-CD1 3.84Å; K294-Y299 HydrophobicContact CB-CE1 3.83Å; K294-Y299 HydrophobicContact CD-CE1 4.09Å; K294-Y299 HydrophobicContact CG-CD1 3.85Å; K294-Y299 HydrophobicContact CG-CE1 3.61Å; Y299-V312 PolarHBondContact O-N 3.28Å |
| 300 | F | 93.4 | Very high | 90.6 | Very high | 38 Ų | 38 | 69.4 Ų | 69.4 | 17% | 0.167 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.9 | 174.9 | -68.7 | -87.6 | 0 | 0 | 0 | 109 | Q293 D295 L298 R309 C310 | Q293-F300 PolarHBondContact N-O 3.21Å; Q293-F300 PolarHBondContact O-N 3.47Å; D295-F300 HydrophobicContact CB-CD2 3.94Å; D295-F300 HydrophobicContact CB-CE2 3.88Å; L298-F300 HydrophobicContact CB-CE2 4.13Å; F300-R309 HydrophobicContact CB-CG 4.29Å; F300-R309 HydrophobicContact CD1-CG 3.94Å; F300-R309 VanDerWaalsContact CD1-NE 3.35Å; F300-R309 VanDerWaalsContact CE2-NH2 3.29Å; F300-R309 HydrophobicContact CG-CG 4.46Å; F300-C310 CarbonylContact C-O 3.58Å; F300-C310 WeakPolarHBondContact CA-O 3.4Å |
| 301 | L | 93.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 107.7 | 171.2 | -171.9 | 72.6 | 0 | 0 | 0 | 107.4 | R232 T290 L292 C310 V312 | R232-L301 VanDerWaalsContact NH2-CD1 3.28Å; T290-L301 HydrophobicContact CG2-CD1 4.36Å; T290-L301 HydrophobicContact CG2-CG 4.31Å; T290-L301 WeakPolarHBondContact OG1-CD1 3.33Å; L292-L301 HydrophobicContact CD1-CD1 4.27Å; L301-C310 PolarHBondContact N-O 3.36Å; L301-C310 PolarHBondContact O-N 3.35Å; L301-V312 HydrophobicContact CB-CG2 3.61Å; L301-V312 HydrophobicContact CD2-CG2 4.42Å |
| 302 | Q | 94 | Very high | 90.5 | Very high | 65 Ų | 65 | 70.5 Ų | 70.5 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.5 | 172.4 | -174.3 | 172.3 | 6.6 | 0 | 0 | 108.4 | T290 I291 | T290-Q302 CarbonylContact C-O 3.41Å; T290-Q302 WeakPolarHBondContact CA-O 3.46Å; T290-Q302 WeakPolarHBondContact CB-O 3.45Å; I291-Q302 PolarHBondContact N-O 2.97Å; I291-Q302 PolarHBondContact O-N 3.05Å |
| 303 | C | 92.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.014 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 140.9 | 176.1 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | C282 C285 S287 E289 T290 T305 C306 H307 S308 | C282-C303 HydrophobicContact CB-CB 4.16Å; C285-C303 VanDerWaalsContact SG-SG 3.64Å; S287-C303 PolarHBondContact OG-SG 3.16Å; S287-C303 VanDerWaalsContact OG-SG 3.37Å; E289-C303 PolarHBondContact O-SG 3.48Å; T290-C303 HydrophobicContact CG2-CB 4.13Å; C303-T305 PolarHBondContact SG-OG1 3.27Å; C303-C306 WeakPolarHBondContact CB-SG 3.36Å; C303-C306 PolarHBondContact SG-SG 3.02Å; C303-H307 WeakPolarHBondContact O-CA 3.29Å; C303-H307 PolarHBondContact O-N 2.74Å; C303-S308 PolarHBondContact N-O 3.23Å |
| 304 | E | 89.8 | Confident | 90.3 | Very high | 100 Ų | 100 | 71.1 Ų | 71.1 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -83.9 | -38.8 | 178 | -66.4 | 174.2 | 179.9 | 0 | 0 | 111.2 | E289 I291 H307 | E289-E304 HydrophobicContact CB-CB 4.41Å; E289-E304 PolarHBondContact O-N 3.29Å; E289-E304 VanDerWaalsContact O-N 3.11Å; I291-E304 WeakPolarHBondContact CD1-OE1 3.29Å; I291-E304 HydrophobicContact CG1-CG 4.42Å; I291-E304 WeakPolarHBondContact CG1-OE1 3.49Å; E304-H307 PolarHBondContact O-CE1 2.87Å; E304-H307 PolarHBondContact O-ND1 2.83Å; E304-H307 VanDerWaalsContact O-ND1 3.11Å |
| 305 | T | 87.5 | Confident | 90.3 | Very high | 21 Ų | 21 | 66.6 Ų | 66.6 | 13% | 0.129 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -68.7 | -57.2 | 179.5 | 60.2 | 0 | 0 | 0 | 0 | 112.3 | C285 S287 E289 C303 H307 | C285-T305 PolarHBondContact SG-OG1 2.7Å; S287-T305 PolarHBondContact OG-OG1 3.1Å; S287-T305 VanDerWaalsContact OG-OG1 3.06Å; E289-T305 HydrophobicContact CB-CG2 4.38Å; E289-T305 WeakPolarHBondContact OE2-CG2 3.48Å; C303-T305 PolarHBondContact SG-OG1 3.27Å; T305-H307 PolarHBondContact O-ND1 2.9Å |
| 306 | C | 87 | Confident | 90.2 | Very high | 52 Ų | 52 | 72 Ų | 72 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -98.1 | 2.5 | -174.4 | 70.2 | 0 | 0 | 0 | 0 | 114.5 | C282 T284 C285 C303 S308 | C282-C306 VanDerWaalsContact SG-SG 3.69Å; T284-C306 PolarHBondContact OG1-SG 2.99Å; C285-C306 HydrophobicContact CB-CB 4.42Å; C303-C306 WeakPolarHBondContact CB-SG 3.36Å; C303-C306 PolarHBondContact SG-SG 3.02Å; C306-S308 PolarHBondContact O-N 2.96Å; C306-S308 PolarHBondContact SG-OG 3.48Å |
| 307 | H | 88.3 | Confident | 89.9 | Confident | 142 Ų | 142 | 71.2 Ų | 71.2 | 66% | 0.657 | 36% | 0.361 | S | S | * | . | trans | 57.8 | 4.8 | 178.3 | -69 | 65.6 | 0 | 0 | 0 | 115.9 | C303 E304 T305 | C303-H307 WeakPolarHBondContact O-CA 3.29Å; C303-H307 PolarHBondContact O-N 2.74Å; E304-H307 PolarHBondContact O-CE1 2.87Å; E304-H307 PolarHBondContact O-ND1 2.83Å; E304-H307 VanDerWaalsContact O-ND1 3.11Å; T305-H307 PolarHBondContact O-ND1 2.9Å | ||
| 308 | S | 90.3 | Very high | 89.3 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 21% | 0.21 | 35% | 0.348 | C | S | . | . | trans | -69.6 | 137.1 | -178.8 | 71.4 | 0 | 0 | 0 | 0 | 112 | C282 C303 C306 | C282-S308 PolarHBondContact SG-OG 2.96Å; C303-S308 PolarHBondContact N-O 3.23Å; C306-S308 PolarHBondContact O-N 2.96Å; C306-S308 PolarHBondContact SG-OG 3.48Å | ||
| 309 | R | 91.7 | Very high | 88.6 | Confident | 121 Ų | 121 | 68.2 Ų | 68.2 | 46% | 0.457 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 107.3 | 173.8 | 177.6 | 175.2 | 166.4 | 135.4 | -0.1 | 110.2 | D295 F300 | D295-R309 IonicContact OD2-CZ 2.79Å; D295-R309 IonicContact OD2-NH1 2.81Å; D295-R309 PolarHBondContact OD2-NH1 2.84Å; D295-R309 IonicContact OD2-NH2 2.68Å; D295-R309 PolarHBondContact OD2-NH2 2.93Å; F300-R309 HydrophobicContact CB-CG 4.29Å; F300-R309 HydrophobicContact CD1-CG 3.94Å; F300-R309 VanDerWaalsContact CD1-NE 3.35Å; F300-R309 VanDerWaalsContact CE2-NH2 3.29Å; F300-R309 HydrophobicContact CG-CG 4.46Å |
| 310 | C | 91.4 | Very high | 87.6 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 22% | 0.216 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.5 | 176.4 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | F300 L301 | F300-C310 CarbonylContact C-O 3.58Å; F300-C310 WeakPolarHBondContact CA-O 3.4Å; L301-C310 PolarHBondContact N-O 3.36Å; L301-C310 PolarHBondContact O-N 3.35Å |
| 311 | S | 92.1 | Very high | 86.4 | Confident | 88 Ų | 88 | 71 Ų | 71 | 62% | 0.615 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 133.5 | 165.5 | 53 | 0 | 0 | 0 | 0 | 110.2 | ||
| 312 | V | 91.1 | Very high | 85.2 | Confident | 13 Ų | 13 | 74 Ų | 74 | 8% | 0.079 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 149.6 | 177.1 | -173.9 | 0 | 0 | 0 | 0 | 110 | Y279 Y299 L301 | Y279-V312 HydrophobicContact CD1-CG1 3.6Å; Y279-V312 HydrophobicContact CE1-CG1 3.45Å; Y279-V312 VanDerWaalsContact CE1-CG1 3.45Å; Y279-V312 HydrophobicContact CG-CG1 4.37Å; Y299-V312 PolarHBondContact O-N 3.28Å; L301-V312 HydrophobicContact CB-CG2 3.61Å; L301-V312 HydrophobicContact CD2-CG2 4.42Å |
| 313 | A | 89.6 | Confident | 84.2 | Confident | 56 Ų | 56 | 75.9 Ų | 75.9 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | trans | -56 | 139.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y279 | Y279-A313 WeakPolarHBondContact CE1-O 3.4Å; Y279-A313 PolarHBondContact OH-O 3.41Å | ||
| 314 | S | 90.2 | Very high | 83.2 | Confident | 46 Ų | 46 | 77.7 Ų | 77.7 | 32% | 0.322 | 45% | 0.446 | S | S | . | . | trans | -73.1 | 139.3 | 168.5 | 53 | 0 | 0 | 0 | 0 | 110 | K316 | S314-K316 PolarHBondContact O-N 3.02Š| ||
| 315 | I | 90.2 | Very high | 82.2 | Confident | 33 Ų | 33 | 80.1 Ų | 80.1 | 17% | 0.169 | 46% | 0.455 | C | S | . | . | trans | -63.2 | 100 | 178.7 | -57.3 | 168.5 | 0 | 0 | 0 | 109.2 | H236 A239 F240 A243 Y279 T317 | H236-I315 WeakPolarHBondContact NE2-CD1 3.3Å; H236-I315 WeakPolarHBondContact O-CD1 3.13Å; A239-I315 HydrophobicContact CB-CD1 4.08Å; F240-I315 HydrophobicContact CB-CD1 3.86Å; F240-I315 HydrophobicContact CD2-CG1 4.33Å; A243-I315 HydrophobicContact CB-CG2 3.89Å; Y279-I315 HydrophobicContact CE1-CG1 4.43Å; I315-T317 PolarHBondContact O-N 2.73Å | ||
| 316 | K | 85.6 | Confident | 81.2 | Confident | 179 Ų | 179 | 87.6 Ų | 87.6 | 78% | 0.778 | 48% | 0.481 | S | S | * | . | trans | -81.7 | 98 | 173.6 | -67.3 | 173.9 | -173 | 173.4 | 0 | 108.7 | S314 G318 | S314-K316 PolarHBondContact O-N 3.02Å; K316-G318 PolarHBondContact O-N 3Å; K316-G318 VanDerWaalsContact O-N 3.09Å | ||
| 317 | T | 80.5 | Confident | 80.5 | Confident | 103 Ų | 103 | 87.9 Ų | 87.9 | 63% | 0.632 | 49% | 0.487 | S | S | * | . | trans | -61.2 | 112.5 | 168 | 44.5 | 0 | 0 | 0 | 0 | 109.1 | A243 I315 | A243-T317 HydrophobicContact CB-CG2 4.17Å; I315-T317 PolarHBondContact O-N 2.73Å | ||
| 318 | G | 74.3 | Confident | 80.1 | Confident | 57 Ų | 57 | 87.5 Ų | 87.5 | 59% | 0.588 | 49% | 0.485 | S | S | * | . | trans | -58.9 | 159 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K316 Q320 | K316-G318 PolarHBondContact O-N 3Å; K316-G318 VanDerWaalsContact O-N 3.09Å; G318-Q320 PolarHBondContact O-N 2.74Å | ||
| 319 | F | 76.4 | Confident | 79.7 | Confident | 190 Ų | 190 | 91.8 Ų | 91.8 | 83% | 0.833 | 51% | 0.505 | S | S | * | . | trans | -62.1 | 96.4 | -178 | 178.4 | -99.3 | 0 | 0 | 0 | 111.7 | A321 | F319-A321 HydrophobicContact CD1-CB 4.49Å; F319-A321 HydrophobicContact CE1-CB 4.14Å; F319-A321 PolarHBondContact O-N 2.81Å | ||
| 320 | Q | 71.7 | Confident | 79.2 | Confident | 102 Ų | 102 | 95.2 Ų | 95.2 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | trans | -76 | 96.4 | 178.5 | -171.1 | 173.3 | 79.1 | 0 | 0 | 109.8 | G246 T247 G318 V322 | G246-Q320 PolarHBondContact O-NE2 2.97Å; T247-Q320 VanDerWaalsContact C-NE2 3.29Å; T247-Q320 PolarHBondContact O-NE2 2.84Å; G318-Q320 PolarHBondContact O-N 2.74Å; Q320-V322 PolarHBondContact O-N 2.89Å; Q320-V322 VanDerWaalsContact O-N 3.14Å | ||
| 321 | A | 67.1 | Low | 78.7 | Confident | 55 Ų | 55 | 97.2 Ų | 97.2 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | trans | -56.2 | 118 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F319 T323 | F319-A321 HydrophobicContact CD1-CB 4.49Å; F319-A321 HydrophobicContact CE1-CB 4.14Å; F319-A321 PolarHBondContact O-N 2.81Å; A321-T323 HydrophobicContact CB-CG2 4.21Å; A321-T323 PolarHBondContact O-N 3.33Å | ||
| 322 | V | 68.9 | Low | 78.4 | Confident | 68 Ų | 68 | 101.7 Ų | 101.7 | 41% | 0.412 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 39.3 | -172.6 | -158.1 | 0 | 0 | 0 | 0 | 112.6 | Q320 K325 R326 | Q320-V322 PolarHBondContact O-N 2.89Å; Q320-V322 VanDerWaalsContact O-N 3.14Å; V322-K325 HydrophobicContact CG1-CB 3.84Å; V322-K325 HydrophobicContact CG1-CD 3.84Å; V322-K325 HydrophobicContact CG1-CG 3.91Å; V322-R326 WeakPolarHBondContact O-CB 3.47Å; V322-R326 VanDerWaalsContact O-CG 3.32Å; V322-R326 WeakPolarHBondContact O-CG 3.29Å; V322-R326 PolarHBondContact O-N 2.87Å |
| 323 | T | 71.3 | Confident | 78 | Confident | 103 Ų | 103 | 105 Ų | 105 | 63% | 0.632 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.7 | -47.2 | -178.6 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | A321 R326 A327 | A321-T323 HydrophobicContact CB-CG2 4.21Å; A321-T323 PolarHBondContact O-N 3.33Å; T323-R326 PolarHBondContact O-N 2.88Å; T323-A327 WeakPolarHBondContact O-CB 3.31Å; T323-A327 PolarHBondContact O-N 3.34Å |
| 324 | G | 71.6 | Confident | 76.8 | Confident | 41 Ų | 41 | 111.5 Ų | 111.5 | 42% | 0.423 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58.7 | -49.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | A327 Q328 | G324-A327 PolarHBondContact O-N 3.35Å; G324-Q328 WeakPolarHBondContact O-CG 3.24Å; G324-Q328 PolarHBondContact O-N 2.93Å |
| 325 | K | 69.5 | Low | 76.2 | Confident | 151 Ų | 151 | 114.8 Ų | 114.8 | 66% | 0.657 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.5 | -38.5 | 178.3 | -50.7 | -176.4 | -179 | 177.9 | 0 | 111.5 | V322 Q328 L329 | V322-K325 HydrophobicContact CG1-CB 3.84Å; V322-K325 HydrophobicContact CG1-CD 3.84Å; V322-K325 HydrophobicContact CG1-CG 3.91Å; K325-Q328 PolarHBondContact O-N 3.16Å; K325-L329 WeakPolarHBondContact O-CG 3.43Å; K325-L329 PolarHBondContact O-N 2.97Å |
| 326 | R | 66.7 | Low | 75.4 | Confident | 177 Ų | 177 | 119.1 Ų | 119.1 | 67% | 0.668 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.5 | -38 | 176.2 | -73.9 | 177.3 | 175.5 | -178.8 | -0.6 | 112.3 | V322 T323 R330 | V322-R326 WeakPolarHBondContact O-CB 3.47Å; V322-R326 VanDerWaalsContact O-CG 3.32Å; V322-R326 WeakPolarHBondContact O-CG 3.29Å; V322-R326 PolarHBondContact O-N 2.87Å; T323-R326 PolarHBondContact O-N 2.88Å; R326-R330 WeakPolarHBondContact O-CG 3.15Å; R326-R330 PolarHBondContact O-N 3.19Å; R326-R330 VanDerWaalsContact O-N 3.1Å |
| 327 | A | 72.9 | Confident | 74.9 | Confident | 58 Ų | 58 | 115.8 Ų | 115.8 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.2 | -44.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T323 G324 L329 R330 A331 | T323-A327 WeakPolarHBondContact O-CB 3.31Å; T323-A327 PolarHBondContact O-N 3.34Å; G324-A327 PolarHBondContact O-N 3.35Å; A327-L329 PolarHBondContact O-N 2.82Å; A327-R330 PolarHBondContact O-N 2.92Å; A327-A331 WeakPolarHBondContact O-CB 3.3Å; A327-A331 PolarHBondContact O-N 2.62Å |
| 328 | Q | 79.7 | Confident | 74.5 | Confident | 134 Ų | 134 | 116.5 Ų | 116.5 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64 | -36.8 | 176.1 | -73.9 | 175.1 | -17.6 | 0 | 0 | 113.2 | G324 K325 A331 K332 | G324-Q328 WeakPolarHBondContact O-CG 3.24Å; G324-Q328 PolarHBondContact O-N 2.93Å; K325-Q328 PolarHBondContact O-N 3.16Å; Q328-A331 PolarHBondContact O-N 3.26Å; Q328-K332 WeakPolarHBondContact O-CG 3.24Å; Q328-K332 PolarHBondContact O-N 3.39Å; Q328-K332 VanDerWaalsContact O-N 3.11Å |
| 329 | L | 80.8 | Confident | 74.6 | Confident | 120 Ų | 120 | 120.3 Ų | 120.3 | 63% | 0.628 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.4 | -41.7 | 173.9 | -73.2 | 167.7 | 0 | 0 | 0 | 111.6 | K325 A327 K332 A333 | K325-L329 WeakPolarHBondContact O-CG 3.43Å; K325-L329 PolarHBondContact O-N 2.97Å; A327-L329 PolarHBondContact O-N 2.82Å; L329-K332 PolarHBondContact O-N 2.89Å; L329-A333 WeakPolarHBondContact O-CB 3.48Å; L329-A333 PolarHBondContact O-N 2.6Å |
| 330 | R | 81.8 | Confident | 74.4 | Confident | 193 Ų | 193 | 115.6 Ų | 115.6 | 73% | 0.728 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.6 | -40.9 | 173.1 | -73 | 174 | 175.9 | -175.9 | -2.9 | 112.3 | R326 A327 K332 A333 N334 | R326-R330 WeakPolarHBondContact O-CG 3.15Å; R326-R330 PolarHBondContact O-N 3.19Å; R326-R330 VanDerWaalsContact O-N 3.1Å; A327-R330 PolarHBondContact O-N 2.92Å; R330-K332 PolarHBondContact O-N 3.22Å; R330-A333 PolarHBondContact O-N 2.69Å; R330-N334 PolarHBondContact O-ND2 2.9Å |
| 331 | A | 80.8 | Confident | 74.6 | Confident | 75 Ų | 75 | 116.6 Ų | 116.6 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -2.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | A327 Q328 | A327-A331 WeakPolarHBondContact O-CB 3.3Å; A327-A331 PolarHBondContact O-N 2.62Å; Q328-A331 PolarHBondContact O-N 3.26Å |
| 332 | K | 86.3 | Confident | 75.2 | Confident | 181 Ų | 181 | 121.3 Ų | 121.3 | 79% | 0.787 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -1.8 | 169.1 | -77.1 | -174.2 | 171.7 | -163.1 | 0 | 113.1 | Q328 L329 R330 | Q328-K332 WeakPolarHBondContact O-CG 3.24Å; Q328-K332 PolarHBondContact O-N 3.39Å; Q328-K332 VanDerWaalsContact O-N 3.11Å; L329-K332 PolarHBondContact O-N 2.89Å; R330-K332 PolarHBondContact O-N 3.22Å |
| 333 | A | 82.3 | Confident | 75.8 | Confident | 83 Ų | 83 | 125.8 Ų | 125.8 | 69% | 0.686 | 66% | 0.664 | S | S | * | * | trans | -115.7 | 12 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L329 R330 | L329-A333 WeakPolarHBondContact O-CB 3.48Å; L329-A333 PolarHBondContact O-N 2.6Å; R330-A333 PolarHBondContact O-N 2.69Å | ||
| 334 | N | 65.6 | Low | 76.2 | Confident | 193 Ų | 193 | 127.8 Ų | 127.8 | 100% | 1.032 | 67% | 0.667 | S | S | * | * | trans | -128.2 | 0 | 164.9 | -61.2 | -98.6 | 0 | 0 | 0 | 106.9 | R330 | R330-N334 PolarHBondContact O-ND2 2.9Š|
Retrieved 334 of 334 residues in 64.3 ms
(Link to these results)