| 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 | 36.7 | Very low | 43.4 | Very low | 244 Ų | 244 | 162.1 Ų | 162.1 | 100% | 1.202 | 86% | 0.856 | S | S | * | * | 0 | 152.5 | 0 | -82 | -177.7 | 167 | 0 | 0 | 109.2 | |||||
| 2 | A | 39.1 | Very low | 44.1 | Very low | 93 Ų | 93 | 156.1 Ų | 156.1 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | trans | 53.7 | 95.9 | 162 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 3 | E | 41.2 | Very low | 44.8 | Very low | 173 Ų | 173 | 154.6 Ų | 154.6 | 81% | 0.808 | 84% | 0.836 | S | S | * | * | trans | -57.1 | 145.1 | 138.3 | -78.7 | 178.7 | 74.3 | 0 | 0 | 109.6 | ||||
| 4 | K | 42 | Very low | 45.4 | Very low | 200 Ų | 200 | 157.1 Ų | 157.1 | 87% | 0.87 | 84% | 0.835 | S | S | * | * | trans | -123.4 | 83.5 | 172 | -164 | 170 | -173.2 | 173.7 | 0 | 111 | R6 | K4-R6 PolarHBondContact O-N 2.69Š| ||
| 5 | R | 41.8 | Very low | 45.8 | Very low | 220 Ų | 220 | 150.8 Ų | 150.8 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 131.9 | 169.4 | -68.2 | -175.3 | 174.9 | -156.8 | -2 | 109.5 | ||
| 6 | R | 45.2 | Very low | 46 | Very low | 244 Ų | 244 | 149.9 Ų | 149.9 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 129.9 | 169.3 | -75.7 | -176.6 | 172.8 | -178.9 | -1.7 | 109.2 | K4 | K4-R6 PolarHBondContact O-N 2.69Š|
| 7 | S | 46.5 | Very low | 46.3 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 146.6 | 174.6 | -46.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 8 | P | 43.7 | Very low | 46.7 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 144 | 168.9 | 29.1 | -34.2 | 0 | 0 | 0 | 110.5 | ||
| 9 | C | 43.4 | Very low | 47.1 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 129.5 | 177.2 | -168.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 10 | A | 49.1 | Very low | 47 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 125.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 11 | L | 49 | Very low | 47.4 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 153.2 | 175.2 | -67.5 | 175.7 | 0 | 0 | 0 | 111.4 | ||
| 12 | S | 51.2 | Low | 48.4 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 141.3 | -177.4 | 179.3 | 0 | 0 | 0 | 0 | 112.6 | K14 A15 | S12-K14 PolarHBondContact O-N 2.77Å; S12-A15 WeakPolarHBondContact O-CB 3.41Å; S12-A15 PolarHBondContact O-N 3.33Å |
| 13 | V | 54.2 | Low | 48.8 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -50 | -28.7 | 178.6 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | A15 H16 | V13-A15 PolarHBondContact O-N 3.39Å; V13-H16 PolarHBondContact O-N 3.15Å |
| 14 | K | 52.8 | Low | 49.6 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -68.7 | -10.6 | 178.9 | -148.3 | 170.9 | -173.6 | 176.3 | 0 | 114.5 | S12 | S12-K14 PolarHBondContact O-N 2.77Š|
| 15 | A | 51.1 | Low | 49.6 | Very low | 63 Ų | 63 | 127.2 Ų | 127.2 | 52% | 0.521 | 71% | 0.714 | S | S | . | * | G | 310 helix | trans | -87.2 | -18.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S12 V13 A17 | S12-A15 WeakPolarHBondContact O-CB 3.41Å; S12-A15 PolarHBondContact O-N 3.33Å; V13-A15 PolarHBondContact O-N 3.39Å; A15-A17 VanDerWaalsContact C-N 3.27Å; A15-A17 PolarHBondContact O-N 3.38Å |
| 16 | H | 49.3 | Very low | 49.7 | Very low | 137 Ų | 137 | 121.6 Ų | 121.6 | 63% | 0.634 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -77.1 | -10.4 | -170.1 | -137.7 | -72.2 | 0 | 0 | 0 | 114.6 | V13 F18 S19 | V13-H16 PolarHBondContact O-N 3.15Å; H16-F18 PolarHBondContact O-N 2.99Å; H16-S19 PolarHBondContact O-N 3.17Å |
| 17 | A | 51.1 | Low | 49.4 | Very low | 69 Ų | 69 | 118.4 Ų | 118.4 | 57% | 0.57 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -72.3 | -1.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A15 | A15-A17 VanDerWaalsContact C-N 3.27Å; A15-A17 PolarHBondContact O-N 3.38Å |
| 18 | F | 54 | Low | 48.9 | Very low | 187 Ų | 187 | 123 Ų | 123 | 82% | 0.82 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -122.2 | 14.6 | 179.9 | -62.1 | -77.7 | 0 | 0 | 0 | 113.5 | H16 | H16-F18 PolarHBondContact O-N 2.99Š|
| 19 | S | 52.9 | Low | 48.4 | Very low | 42 Ų | 42 | 127.9 Ų | 127.9 | 29% | 0.294 | 72% | 0.718 | S | S | . | * | S | Bend | trans | -71.2 | 148.2 | 169.2 | -173.6 | 0 | 0 | 0 | 0 | 111 | H16 E21 A22 | H16-S19 PolarHBondContact O-N 3.17Å; S19-E21 PolarHBondContact O-N 3.13Å; S19-A22 WeakPolarHBondContact O-CB 3.45Å; S19-A22 PolarHBondContact O-N 2.82Å |
| 20 | V | 46.6 | Very low | 47.8 | Very low | 107 Ų | 107 | 133 Ų | 133 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -59.3 | -36 | 179.4 | 180 | 0 | 0 | 0 | 0 | 111.6 | A22 L23 I24 | V20-A22 PolarHBondContact O-N 3.33Å; V20-L23 PolarHBondContact O-N 3.32Å; V20-L23 VanDerWaalsContact O-N 3.1Å; V20-I24 HydrophobicContact CG1-CD1 4.09Å; V20-I24 PolarHBondContact O-N 2.8Å |
| 21 | E | 54.4 | Low | 47 | Very low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -63.4 | -22.8 | 175.8 | -63.6 | 178.1 | 125.3 | 0 | 0 | 113.6 | S19 | S19-E21 PolarHBondContact O-N 3.13Å |
| 22 | A | 57.3 | Low | 46.2 | Very low | 64 Ų | 64 | 138.8 Ų | 138.8 | 53% | 0.529 | 73% | 0.726 | S | S | . | * | H | α-helix | trans | -83.9 | -15.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S19 V20 | S19-A22 WeakPolarHBondContact O-CB 3.45Å; S19-A22 PolarHBondContact O-N 2.82Å; V20-A22 PolarHBondContact O-N 3.33Å |
| 23 | L | 48.4 | Very low | 45.2 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -96.3 | -21.8 | -177.8 | -137.9 | 76 | 0 | 0 | 0 | 113.2 | V20 G25 | V20-L23 PolarHBondContact O-N 3.32Å; V20-L23 VanDerWaalsContact O-N 3.1Å; L23-G25 PolarHBondContact O-N 2.87Å |
| 24 | I | 57.7 | Low | 44.1 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 66% | 0.662 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -97.2 | 88.4 | 177 | -55 | 175.3 | 0 | 0 | 0 | 107.9 | V20 A26 | V20-I24 HydrophobicContact CG1-CD1 4.09Å; V20-I24 PolarHBondContact O-N 2.8Å; I24-A26 PolarHBondContact O-N 3.48Å |
| 25 | G | 41.7 | Very low | 43.2 | Very low | 69 Ų | 69 | 137.8 Ų | 137.8 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 125 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L23 E27 | L23-G25 PolarHBondContact O-N 2.87Å; G25-E27 PolarHBondContact O-N 3.25Å |
| 26 | A | 43 | Very low | 42.3 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 124.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I24 K28 | I24-A26 PolarHBondContact O-N 3.48Å; A26-K28 PolarHBondContact O-N 3.47Å |
| 27 | E | 40.4 | Very low | 41.7 | Very low | 177 Ų | 177 | 143 Ų | 143 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 125.1 | 177.6 | -70.1 | -162.9 | 132.8 | 0 | 0 | 112.3 | G25 R29 | G25-E27 PolarHBondContact O-N 3.25Å; E27-R29 VanDerWaalsContact C-N 3.33Å; E27-R29 PolarHBondContact O-N 3.36Å |
| 28 | K | 34.5 | Very low | 40.8 | Very low | 205 Ų | 205 | 144 Ų | 144 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | -78.9 | 71.7 | -177.2 | -169.9 | -179.4 | 177 | 176.6 | 0 | 112.3 | A26 R30 | A26-K28 PolarHBondContact O-N 3.47Å; K28-R30 PolarHBondContact O-N 3.16Å | ||
| 29 | R | 34.2 | Very low | 39.8 | Very low | 230 Ų | 230 | 139.5 Ų | 139.5 | 87% | 0.868 | 77% | 0.771 | S | S | * | * | trans | -68.3 | 100.7 | 166.1 | -84.1 | -164.6 | 174.6 | -142.5 | -0.7 | 110.7 | E27 R31 | E27-R29 VanDerWaalsContact C-N 3.33Å; E27-R29 PolarHBondContact O-N 3.36Å; R29-R31 PolarHBondContact O-N 3.18Å | ||
| 30 | R | 31.6 | Very low | 38.9 | Very low | 229 Ų | 229 | 143 Ų | 143 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -67.2 | 105.5 | 171.2 | -176 | -178.2 | -172.9 | 175.5 | 1.2 | 109.5 | K28 | K28-R30 PolarHBondContact O-N 3.16Š| ||
| 31 | R | 31.6 | Very low | 39 | Very low | 243 Ų | 243 | 144.2 Ų | 144.2 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 129 | 170.2 | -77.8 | -176.6 | 171.6 | 174.1 | -3.7 | 110.5 | R29 | R29-R31 PolarHBondContact O-N 3.18Š|
| 32 | T | 32.5 | Very low | 37.8 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 143.3 | 151.6 | 43.6 | 0 | 0 | 0 | 0 | 108 | ||
| 33 | S | 30.5 | Very low | 36.4 | Very low | 129 Ų | 129 | 141 Ų | 141 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 141.7 | 179.7 | 48.4 | 0 | 0 | 0 | 0 | 111.8 | ||
| 34 | G | 30.2 | Very low | 35.6 | Very low | 67 Ų | 67 | 143.6 Ų | 143.6 | 69% | 0.691 | 82% | 0.823 | S | S | * | * | trans | 173.2 | 90.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 35 | E | 33.9 | Very low | 34.4 | Very low | 199 Ų | 199 | 146.1 Ų | 146.1 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | trans | 54.5 | 136.6 | 154.4 | -69.5 | 159.3 | 101 | 0 | 0 | 122.1 | ||||
| 36 | D | 32.5 | Very low | 33.8 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | -102.3 | 133.3 | 175.9 | -63.2 | -80 | 0 | 0 | 0 | 111.8 | ||||
| 37 | V | 35.7 | Very low | 33.3 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 89% | 0.891 | 83% | 0.826 | S | S | * | * | trans | -142.2 | 136 | 152.2 | -179.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 38 | A | 32.5 | Very low | 32.9 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | trans | -24.6 | 123 | 175.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 39 | A | 33.2 | Very low | 32.9 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | 64.2 | 133.6 | 109.6 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 40 | S | 34.8 | Very low | 33 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 101.6 | 147.9 | 141.4 | -66.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 41 | P | 48.7 | Very low | 33.2 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | -132.4 | 170.6 | -157.9 | 41.5 | -23.2 | 0 | 0 | 0 | 116.8 | ||||
| 42 | G | 29.1 | Very low | 33 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 151.8 | 142.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 43 | G | 27.4 | Very low | 33.1 | Very low | 75 Ų | 75 | 123 Ų | 123 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | 157 | 98 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 44 | Y | 31 | Very low | 33.1 | Very low | 207 Ų | 207 | 123.5 Ų | 123.5 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -77 | 171.7 | 155.5 | 51.1 | -91.3 | 0 | 0 | 0 | 108.6 | ||||
| 45 | E | 33.2 | Very low | 33 | Very low | 182 Ų | 182 | 124 Ų | 124 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | cis | -143.5 | -173 | 17.9 | -112.9 | 163.7 | 132.7 | 0 | 0 | 107.9 | ||||
| 46 | G | 30.4 | Very low | 33.1 | Very low | 71 Ų | 71 | 120.4 Ų | 120.4 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | cis | 155.3 | 146.7 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 47 | G | 32.5 | Very low | 33.8 | Very low | 68 Ų | 68 | 118.2 Ų | 118.2 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 88.2 | 140.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 48 | N | 31.2 | Very low | 33.6 | Very low | 153 Ų | 153 | 115.4 Ų | 115.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | 64.9 | 137 | 38.7 | -66 | 77.5 | 0 | 0 | 0 | 112.7 | ||||
| 49 | D | 33.3 | Very low | 33.5 | Very low | 132 Ų | 132 | 119 Ų | 119 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | cis | -163.5 | 172.5 | 12 | -127.8 | -158.1 | 0 | 0 | 0 | 109.3 | ||||
| 50 | V | 36.4 | Very low | 33.4 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | cis | -163.4 | -170.6 | 1.3 | 71.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 51 | S | 35.8 | Very low | 33 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -9.4 | 164.3 | 156.5 | -68.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 52 | D | 29.2 | Very low | 32.1 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | cis | -179.4 | 179.3 | -14.8 | -178.4 | 22.7 | 0 | 0 | 0 | 108.9 | ||||
| 53 | L | 34.2 | Very low | 32.2 | Very low | 126 Ų | 126 | 130 Ų | 130 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | 83.8 | 116.1 | 156.5 | -60.3 | -176 | 0 | 0 | 0 | 123.1 | ||||
| 54 | T | 30.8 | Very low | 32.5 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | 74 | 144.6 | 135.1 | 61.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 55 | G | 27.6 | Very low | 32.5 | Very low | 78 Ų | 78 | 126.5 Ų | 126.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 125.9 | 110 | 149.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 56 | S | 34.7 | Very low | 32.5 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -125.4 | 167.1 | 159.5 | -57.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 57 | P | 48.5 | Very low | 32.9 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | cis | -142.2 | 177.2 | 7.6 | 44.3 | -26.7 | 0 | 0 | 0 | 117.7 | ||||
| 58 | A | 30.8 | Very low | 32.8 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 88.4 | 148.1 | 137.3 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 59 | L | 31.4 | Very low | 32.9 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | 96.5 | 138 | 153.2 | -66.5 | 178.3 | 0 | 0 | 0 | 122.8 | ||||
| 60 | R | 29.9 | Very low | 32.6 | Very low | 253 Ų | 253 | 127.8 Ų | 127.8 | 96% | 0.955 | 79% | 0.786 | S | S | * | * | trans | 63.7 | 142.9 | 176.1 | -61.4 | -176.8 | 172.5 | -152 | -2.5 | 115.5 | ||||
| 61 | G | 27.6 | Very low | 32.5 | Very low | 81 Ų | 81 | 127.7 Ų | 127.7 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | cis | 169.7 | 153.8 | -5.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 62 | G | 30 | Very low | 32.6 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | cis | 125 | 83 | 10.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 63 | R | 31.1 | Very low | 32.9 | Very low | 237 Ų | 237 | 128.3 Ų | 128.3 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | -155.6 | 136.3 | 175 | -152.2 | 172.9 | -174.5 | -175.5 | 1.4 | 113.8 | ||||
| 64 | A | 33.4 | Very low | 33 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -130 | 169.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 65 | C | 30.2 | Very low | 33.1 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -146.9 | 161.6 | 171 | -93.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 66 | S | 33.3 | Very low | 33.2 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -150.4 | 147.7 | -168.1 | 53.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 67 | S | 38.1 | Very low | 33.4 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | 25.7 | 128.9 | 147.8 | -172.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 68 | D | 30.8 | Very low | 32.5 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 62% | 0.62 | 79% | 0.793 | S | S | * | * | -163 | 163.2 | 117.4 | -138 | -17.3 | 0 | 0 | 0 | 113.7 | |||||
| 69 | R | 33.3 | Very low | 32.5 | Very low | 222 Ų | 222 | 132.5 Ų | 132.5 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 28.2 | 156.4 | 158.2 | -68.5 | 151.8 | -140.3 | -116.3 | 1 | 122.3 | ||||
| 70 | G | 28.3 | Very low | 32.8 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | cis | 137.1 | 150 | 1.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 71 | S | 34.5 | Very low | 33.9 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 106.2 | 142.4 | 166.9 | -75.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 72 | E | 36.8 | Very low | 34.2 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -28.9 | 166.8 | 171.2 | 44.5 | -105.7 | 64.4 | 0 | 0 | 122.4 | ||||
| 73 | A | 36.7 | Very low | 34.4 | Very low | 83 Ų | 83 | 127.9 Ų | 127.9 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | cis | -170.4 | 172.7 | -9.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 74 | E | 35.2 | Very low | 34.5 | Very low | 186 Ų | 186 | 123.9 Ų | 123.9 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | 61.8 | 155.5 | 153.6 | -79.7 | -169.5 | 99.3 | 0 | 0 | 121.7 | ||||
| 75 | C | 33.6 | Very low | 34.4 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 68% | 0.676 | 76% | 0.76 | S | S | * | * | cis | -165.3 | -173.6 | -22.2 | -159.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 76 | T | 29.9 | Very low | 34.7 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | trans | 73.6 | 130.5 | 179.6 | 67.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 77 | S | 37.1 | Very low | 34.7 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | cis | 78.9 | 134.2 | 44.8 | -150.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 78 | D | 31.1 | Very low | 34.7 | Very low | 160 Ų | 160 | 129 Ų | 129 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | cis | -152 | 171.3 | 24.3 | -174.8 | 19 | 0 | 0 | 0 | 111.7 | ||||
| 79 | G | 29.5 | Very low | 34.6 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | trans | 143 | 104.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 80 | S | 39.1 | Very low | 34.7 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 81% | 0.811 | 76% | 0.759 | S | S | * | * | trans | -124.6 | -177.4 | 169.4 | -143.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 81 | P | 52.8 | Low | 35 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 57% | 0.565 | 76% | 0.759 | S | S | * | * | cis | -140.7 | -175.3 | 2.3 | 44.7 | -26.5 | 0 | 0 | 0 | 116.8 | ||||
| 82 | E | 32.9 | Very low | 35.3 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 58 | 140 | 149.1 | -70.2 | 147.6 | 163.9 | 0 | 0 | 119.8 | ||||
| 83 | S | 33.8 | Very low | 35.3 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | cis | -145 | 173.5 | 35.1 | 66.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 84 | E | 35.1 | Very low | 35.2 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -60.9 | 173.2 | 165.4 | 62 | -97.7 | 54.1 | 0 | 0 | 113.9 | ||||
| 85 | D | 30.7 | Very low | 35.2 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | cis | -159 | 174.9 | 21.2 | -162.9 | 9.1 | 0 | 0 | 0 | 114 | ||||
| 86 | A | 35.1 | Very low | 35 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 56% | 0.562 | 77% | 0.774 | S | S | * | * | trans | 80.6 | 102.1 | 144.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 87 | L | 33.9 | Very low | 35.5 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | 90.4 | 144.3 | 127 | -63.7 | 171 | 0 | 0 | 0 | 123.6 | |||||
| 88 | L | 37.6 | Very low | 35.3 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | 76.7 | 69.7 | 165.5 | -56 | -175.4 | 0 | 0 | 0 | 120.5 | ||||
| 89 | E | 30 | Very low | 35.8 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | 23.2 | 134.3 | 103.2 | -165.6 | 168.5 | -174.6 | 0 | 0 | 118.6 | |||||
| 90 | S | 34.1 | Very low | 36.1 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | cis | -151.5 | 166 | 7.9 | -129.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 91 | P | 36.1 | Very low | 35.9 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -102.6 | -176.1 | -171.2 | 41.1 | -36.4 | 0 | 0 | 0 | 115.6 | ||||
| 92 | Q | 41.2 | Very low | 35.4 | Very low | 188 Ų | 188 | 130.6 Ų | 130.6 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -64.1 | 144.4 | 164.1 | -57.1 | 175 | -94.3 | 0 | 0 | 111.9 | ||||
| 93 | P | 35.7 | Very low | 35.5 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | trans | -99.5 | 141.4 | 161 | 35 | -29.5 | 0 | 0 | 0 | 112.1 | ||||
| 94 | A | 34.4 | Very low | 36 | Very low | 90 Ų | 90 | 126.1 Ų | 126.1 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -128.5 | 145.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 95 | S | 36 | Very low | 36 | Very low | 117 Ų | 117 | 122 Ų | 122 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 49.1 | 104.1 | 164.3 | 56.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 96 | T | 29.1 | Very low | 36.6 | Very low | 131 Ų | 131 | 121 Ų | 121 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -116.9 | 127.1 | 146.5 | -58.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 97 | L | 40.9 | Very low | 37.3 | Very low | 175 Ų | 175 | 121.1 Ų | 121.1 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -83.4 | 118.7 | 172.4 | -76.3 | 164 | 0 | 0 | 0 | 109.8 | ||||
| 98 | C | 31.4 | Very low | 38.8 | Very low | 114 Ų | 114 | 120.3 Ų | 120.3 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -121.8 | 110.9 | 167.8 | -74.4 | 0 | 0 | 0 | 0 | 109.5 | A100 | C98-A100 PolarHBondContact O-N 3.39Š| ||
| 99 | A | 42.2 | Very low | 41.1 | Very low | 112 Ų | 112 | 118.9 Ų | 118.9 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | trans | -76.2 | 102.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 100 | A | 35.2 | Very low | 44.2 | Very low | 98 Ų | 98 | 110.7 Ų | 110.7 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -78.8 | 131.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | C98 | C98-A100 PolarHBondContact O-N 3.39Š| ||
| 101 | A | 35.8 | Very low | 47.1 | Very low | 88 Ų | 88 | 113.1 Ų | 113.1 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | trans | -65.6 | 151.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G103 | A101-G103 PolarHBondContact O-N 2.92Š| ||
| 102 | P | 43.2 | Very low | 50 | Low | 132 Ų | 132 | 108.4 Ų | 108.4 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | trans | -69.3 | 96.8 | -179.7 | 28.3 | -34.6 | 0 | 0 | 0 | 111 | A104 | P102-A104 PolarHBondContact O-N 3.29Š| ||
| 103 | G | 34.3 | Very low | 52.7 | Low | 72 Ų | 72 | 103.8 Ų | 103.8 | 74% | 0.742 | 70% | 0.697 | S | S | * | * | trans | -61.2 | 125.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A101 G105 | A101-G103 PolarHBondContact O-N 2.92Å; G103-G105 VanDerWaalsContact C-N 3.27Å; G103-G105 PolarHBondContact O-N 3.03Å | ||
| 104 | A | 44.5 | Very low | 55.7 | Low | 114 Ų | 114 | 98.3 Ų | 98.3 | 94% | 0.942 | 66% | 0.661 | S | S | * | * | trans | -75.2 | 73.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P102 | P102-A104 PolarHBondContact O-N 3.29Š| ||
| 105 | G | 35.6 | Very low | 58.7 | Low | 68 Ų | 68 | 97.1 Ų | 97.1 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | trans | -106 | 93.6 | 167 | 0 | 0 | 0 | 0 | 0 | 110.5 | G103 G107 | G103-G105 VanDerWaalsContact C-N 3.27Å; G103-G105 PolarHBondContact O-N 3.03Å; G105-G107 PolarHBondContact O-N 3.47Å | ||
| 106 | S | 43.3 | Very low | 61.6 | Low | 129 Ų | 129 | 93.9 Ų | 93.9 | 90% | 0.902 | 63% | 0.625 | S | S | * | * | trans | -77.7 | 53.7 | 177.5 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | E108 | S106-E108 PolarHBondContact O-N 3.29Š| ||
| 107 | G | 49.2 | Very low | 64.8 | Low | 71 Ų | 71 | 89 Ų | 89 | 73% | 0.732 | 60% | 0.596 | S | S | * | * | trans | -81.8 | 108.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | G105 E109 | G105-G107 PolarHBondContact O-N 3.47Å; G107-E109 PolarHBondContact O-N 3.1Å | ||
| 108 | E | 65.9 | Low | 67.5 | Low | 149 Ų | 149 | 85.7 Ų | 85.7 | 70% | 0.696 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 126.6 | 169.8 | -73.6 | -157.4 | 137.2 | 0 | 0 | 109.9 | S106 T110 G149 | S106-E108 PolarHBondContact O-N 3.29Å; E108-T110 PolarHBondContact O-N 3.16Å; E108-G149 WeakPolarHBondContact OE2-CA 3.4Å |
| 109 | E | 85.9 | Confident | 70.7 | Confident | 128 Ų | 128 | 82.3 Ų | 82.3 | 60% | 0.598 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 121.7 | 171.7 | -179.7 | -173.1 | -140.4 | 0 | 0 | 109.4 | G107 R111 | G107-E109 PolarHBondContact O-N 3.1Å; E109-R111 PolarHBondContact O-N 2.87Å; E109-R111 VanDerWaalsContact O-N 3.15Å; E109-R111 IonicContact OE2-CZ 3.91Å; E109-R111 IonicContact OE2-NE 3.31Å; E109-R111 PolarHBondContact OE2-NE 3.19Å; E109-R111 IonicContact OE2-NH2 2.87Å; E109-R111 PolarHBondContact OE2-NH2 3.41Å |
| 110 | T | 93.3 | Very high | 73.4 | Confident | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.031 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 119.8 | 178.3 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | E108 I147 T148 G149 L150 R265 F267 | E108-T110 PolarHBondContact O-N 3.16Å; T110-I147 HydrophobicContact CG2-CG2 4.09Å; T110-T148 CarbonylContact C-O 3.57Å; T110-T148 VanDerWaalsContact CA-O 3.32Å; T110-T148 WeakPolarHBondContact CA-O 3.17Å; T110-G149 VanDerWaalsContact CA-O 3.24Å; T110-G149 WeakPolarHBondContact CA-O 3.45Å; T110-G149 WeakPolarHBondContact CB-O 3.49Å; T110-G149 PolarHBondContact N-O 2.71Å; T110-G149 PolarHBondContact OG1-O 3.36Å; T110-L150 HydrophobicContact CG2-CD2 3.49Å; T110-L150 VanDerWaalsContact CG2-CD2 3.49Å; T110-L150 HydrophobicContact CG2-CG 4.33Å; T110-R265 PolarHBondContact OG1-NE 3.31Å; T110-R265 PolarHBondContact OG1-NH1 3.14Å; T110-R265 PolarHBondContact OG1-NH2 2.87Å; T110-R265 VanDerWaalsContact OG1-NH2 3.1Å; T110-F267 HydrophobicContact CG2-CZ 4.23Å; T110-F267 WeakPolarHBondContact O-CZ 3.46Å |
| 111 | R | 95.6 | Very high | 76.4 | Confident | 151 Ų | 151 | 76.5 Ų | 76.5 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 143.8 | 179 | -72 | 166.4 | -176.1 | -177.8 | 2.1 | 110.7 | E109 I147 T148 | E109-R111 PolarHBondContact O-N 2.87Å; E109-R111 VanDerWaalsContact O-N 3.15Å; E109-R111 IonicContact OE2-CZ 3.91Å; E109-R111 IonicContact OE2-NE 3.31Å; E109-R111 PolarHBondContact OE2-NE 3.19Å; E109-R111 IonicContact OE2-NH2 2.87Å; E109-R111 PolarHBondContact OE2-NH2 3.41Å; R111-I147 WeakPolarHBondContact O-CA 3.48Å; R111-T148 PolarHBondContact N-O 3.37Å; R111-T148 PolarHBondContact O-N 3Å |
| 112 | V | 97.6 | Very high | 79.4 | Confident | 15 Ų | 15 | 78 Ų | 78 | 9% | 0.091 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 116.4 | 180 | -176.3 | 0 | 0 | 0 | 0 | 108.9 | V145 K146 I147 V243 F267 F269 | V112-V145 HydrophobicContact CG1-CB 3.61Å; V112-V145 HydrophobicContact CG1-CG1 3.78Å; V112-V145 HydrophobicContact CG1-CG2 3.95Å; V112-K146 CarbonylContact C-O 3.58Å; V112-K146 WeakPolarHBondContact CA-O 3.48Å; V112-I147 HydrophobicContact CG1-CG1 4.47Å; V112-I147 HydrophobicContact CG2-CG1 4.3Å; V112-I147 HydrophobicContact CG2-CG2 4.26Å; V112-V243 HydrophobicContact CG2-CG2 4.22Å; V112-F267 HydrophobicContact CB-CB 4.26Å; V112-F267 HydrophobicContact CB-CD1 3.91Å; V112-F267 HydrophobicContact CB-CD2 4.13Å; V112-F267 HydrophobicContact CB-CE1 4.27Å; V112-F267 HydrophobicContact CB-CE2 4.48Å; V112-F267 HydrophobicContact CB-CG 3.83Å; V112-F267 HydrophobicContact CG2-CD1 3.91Å; V112-F267 HydrophobicContact CG2-CD2 3.5Å; V112-F267 HydrophobicContact CG2-CE1 3.9Å; V112-F267 HydrophobicContact CG2-CE2 3.5Å; V112-F267 VanDerWaalsContact CG2-CE2 3.5Å; V112-F267 HydrophobicContact CG2-CG 3.72Å; V112-F267 HydrophobicContact CG2-CZ 3.7Å; V112-F269 HydrophobicContact CB-CZ 4.49Å; V112-F269 HydrophobicContact CG1-CE2 4.47Å; V112-F269 HydrophobicContact CG1-CZ 4.08Å; V112-F269 WeakPolarHBondContact O-CZ 3.37Å |
| 113 | E | 98 | Very high | 82 | Confident | 90 Ų | 90 | 71.7 Ų | 71.7 | 42% | 0.421 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.1 | -175.4 | -59.9 | 177.7 | 141.1 | 0 | 0 | 110.8 | Q115 V145 K146 | E113-Q115 PolarHBondContact O-N 3.43Å; E113-Q115 PolarHBondContact O-NE2 2.96Å; E113-V145 WeakPolarHBondContact O-CA 3.47Å; E113-K146 HydrophobicContact CB-CB 4.39Å; E113-K146 PolarHBondContact N-O 2.83Å; E113-K146 PolarHBondContact O-N 3.04Å; E113-K146 WeakPolarHBondContact OE2-CD 3.48Å; E113-K146 IonicContact OE2-NZ 3.33Å; E113-K146 PolarHBondContact OE2-NZ 3.29Å |
| 114 | L | 98.4 | Very high | 85.1 | Confident | 15 Ų | 15 | 72.2 Ų | 72.2 | 8% | 0.079 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 115.1 | 175.3 | 179.8 | 67.4 | 0 | 0 | 0 | 111.5 | W120 M143 F269 E271 T272 | L114-W120 HydrophobicContact CD2-CB 4.33Å; L114-W120 HydrophobicContact CD2-CG 4.18Å; L114-M143 HydrophobicContact CD1-CE 4.12Å; L114-M143 HydrophobicContact CD1-SD 4.08Å; L114-F269 HydrophobicContact CB-CD1 3.74Å; L114-F269 HydrophobicContact CB-CD2 4.23Å; L114-F269 HydrophobicContact CB-CE1 3.79Å; L114-F269 HydrophobicContact CB-CE2 4.27Å; L114-F269 HydrophobicContact CB-CG 3.96Å; L114-F269 HydrophobicContact CB-CZ 4.06Å; L114-F269 HydrophobicContact CD1-CD2 4.33Å; L114-F269 HydrophobicContact CD2-CB 4Å; L114-F269 HydrophobicContact CD2-CD1 4.44Å; L114-F269 HydrophobicContact CD2-CG 4.12Å; L114-F269 HydrophobicContact CG-CG 4.45Å; L114-E271 HydrophobicContact CD2-CG 3.79Å; L114-T272 HydrophobicContact CD1-CG2 4.09Å; L114-T272 HydrophobicContact CD2-CG2 3.56Å |
| 115 | Q | 98.2 | Very high | 87.6 | Confident | 66 Ų | 66 | 73.8 Ų | 73.8 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 128.5 | -177.8 | -63.3 | -62.1 | -51.9 | 0 | 0 | 111.1 | E113 R144 K146 V210 | E113-Q115 PolarHBondContact O-N 3.43Å; E113-Q115 PolarHBondContact O-NE2 2.96Å; Q115-R144 HydrophobicContact CB-CB 4.09Å; Q115-R144 PolarHBondContact N-O 3.07Å; Q115-K146 HydrophobicContact CG-CB 4.11Å; Q115-V210 HydrophobicContact CB-CG1 4.09Å; Q115-V210 HydrophobicContact CG-CG1 3.76Å; Q115-V210 HydrophobicContact CG-CG2 3.92Å |
| 116 | G | 95.9 | Very high | 90.5 | Very high | 48 Ų | 48 | 73 Ų | 73 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 28.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D118 L119 W120 | G116-D118 PolarHBondContact O-N 3.19Å; G116-L119 WeakPolarHBondContact O-CB 3.49Å; G116-L119 PolarHBondContact O-N 3.45Å; G116-W120 PolarHBondContact O-N 2.83Å |
| 117 | S | 96.9 | Very high | 93.1 | Very high | 30 Ų | 30 | 68 Ų | 68 | 21% | 0.21 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -50.8 | -35.6 | 178.1 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | L119 W120 K121 | S117-L119 PolarHBondContact O-N 2.89Å; S117-W120 WeakPolarHBondContact O-CA 3.43Å; S117-W120 WeakPolarHBondContact O-CB 3.45Å; S117-W120 PolarHBondContact O-N 3.29Å; S117-K121 WeakPolarHBondContact O-CG 3.39Å; S117-K121 PolarHBondContact O-N 3.33Å |
| 118 | D | 97.9 | Very high | 95.5 | Very high | 105 Ų | 105 | 64.8 Ų | 64.8 | 56% | 0.561 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.3 | -20 | 176.3 | -58.2 | -29.5 | 0 | 0 | 0 | 114.8 | G116 R122 | G116-D118 PolarHBondContact O-N 3.19Å; D118-R122 WeakPolarHBondContact O-CD 3.48Å; D118-R122 VanDerWaalsContact O-CG 3.26Å; D118-R122 WeakPolarHBondContact O-CG 3.32Å; D118-R122 PolarHBondContact O-NE 3.42Å; D118-R122 VanDerWaalsContact O-NE 3.08Å |
| 119 | L | 98 | Very high | 97 | Very high | 42 Ų | 42 | 57.7 Ų | 57.7 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -84.9 | -37.8 | 171.1 | -178.1 | 61.2 | 0 | 0 | 0 | 110.7 | G116 S117 F123 F140 P141 R292 | G116-L119 WeakPolarHBondContact O-CB 3.49Å; G116-L119 PolarHBondContact O-N 3.45Å; S117-L119 PolarHBondContact O-N 2.89Å; L119-F123 HydrophobicContact CD1-CD2 4.25Å; L119-F123 HydrophobicContact CD1-CE2 3.88Å; L119-F123 HydrophobicContact CG-CD2 4.25Å; L119-F123 HydrophobicContact CG-CE2 4.09Å; L119-F123 VanDerWaalsContact O-CD2 3.3Å; L119-F123 WeakPolarHBondContact O-CD2 3.39Å; L119-F123 PolarHBondContact O-N 3.15Å; L119-F140 HydrophobicContact CD2-CZ 4.18Å; L119-P141 HydrophobicContact CD2-CB 4.16Å; L119-P141 HydrophobicContact CD2-CG 3.87Å; L119-P141 HydrophobicContact CG-CG 3.83Å; L119-R292 HydrophobicContact CD1-CB 4.06Å; L119-R292 HydrophobicContact CD1-CG 3.87Å |
| 120 | W | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 174 | -79.3 | 104 | 0 | 0 | 0 | 111.8 | L114 G116 S117 R122 F123 H124 T128 M130 P141 M143 E271 T272 | L114-W120 HydrophobicContact CD2-CB 4.33Å; L114-W120 HydrophobicContact CD2-CG 4.18Å; G116-W120 PolarHBondContact O-N 2.83Å; S117-W120 WeakPolarHBondContact O-CA 3.43Å; S117-W120 WeakPolarHBondContact O-CB 3.45Å; S117-W120 PolarHBondContact O-N 3.29Å; W120-R122 PolarHBondContact O-N 3.12Å; W120-F123 WeakPolarHBondContact O-CA 3.49Å; W120-F123 PolarHBondContact O-N 2.79Å; W120-H124 WeakPolarHBondContact O-CB 3.29Å; W120-H124 PolarHBondContact O-N 3.35Å; W120-T128 HydrophobicContact CZ3-CG2 4.35Å; W120-M130 HydrophobicContact CH2-CE 3.5Å; W120-M130 HydrophobicContact CZ3-CE 3.69Å; W120-P141 HydrophobicContact CD2-CB 4.25Å; W120-P141 HydrophobicContact CD2-CG 4.09Å; W120-P141 HydrophobicContact CE3-CG 4.47Å; W120-P141 HydrophobicContact CG-CG 4.44Å; W120-P141 HydrophobicContact CZ2-CB 3.92Å; W120-P141 HydrophobicContact CZ2-CG 4.43Å; W120-P141 VanDerWaalsContact CZ2-O 3.31Å; W120-P141 WeakPolarHBondContact CZ2-O 3.16Å; W120-M143 HydrophobicContact CH2-CG 4.35Å; W120-M143 HydrophobicContact CH2-SD 3.98Å; W120-M143 HydrophobicContact CZ2-CG 3.96Å; W120-M143 HydrophobicContact CZ2-SD 3.5Å; W120-M143 WeakPolarHBondContact CZ2-SD 3.36Å; W120-E271 HydrophobicContact CB-CB 4.39Å; W120-E271 HydrophobicContact CB-CG 3.83Å; W120-T272 HydrophobicContact CD2-CG2 3.86Å; W120-T272 HydrophobicContact CE3-CG2 3.98Å; W120-T272 HydrophobicContact CG-CG2 4.2Å; W120-T272 HydrophobicContact CZ3-CG2 4.35Å |
| 121 | K | 98.5 | Very high | 97.9 | Very high | 88 Ų | 88 | 52.7 Ų | 52.7 | 38% | 0.383 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.3 | -46.4 | 176.8 | -70.3 | 167.5 | -175.5 | 171.2 | 0 | 112.4 | S117 F123 H124 E125 E271 | S117-K121 WeakPolarHBondContact O-CG 3.39Å; S117-K121 PolarHBondContact O-N 3.33Å; K121-F123 VanDerWaalsContact C-N 3.29Å; K121-F123 PolarHBondContact O-N 2.89Å; K121-H124 WeakPolarHBondContact O-CA 3.28Å; K121-H124 WeakPolarHBondContact O-CB 3.45Å; K121-H124 PolarHBondContact O-N 3.07Å; K121-E125 VanDerWaalsContact O-CG 3.24Å; K121-E125 WeakPolarHBondContact O-CG 3.47Å; K121-E125 PolarHBondContact O-N 2.83Å; K121-E271 WeakPolarHBondContact CE-OE1 3.35Å; K121-E271 HydrophobicContact CG-CB 3.94Å; K121-E271 HydrophobicContact CG-CG 4.13Å |
| 122 | R | 98.4 | Very high | 98 | Very high | 118 Ų | 118 | 45.6 Ų | 45.6 | 45% | 0.445 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.2 | -29.2 | 174.6 | -66.6 | 172.2 | -153.6 | -123.6 | 4.3 | 114.5 | D118 W120 I126 L288 | D118-R122 WeakPolarHBondContact O-CD 3.48Å; D118-R122 VanDerWaalsContact O-CG 3.26Å; D118-R122 WeakPolarHBondContact O-CG 3.32Å; D118-R122 PolarHBondContact O-NE 3.42Å; D118-R122 VanDerWaalsContact O-NE 3.08Å; W120-R122 PolarHBondContact O-N 3.12Å; R122-I126 WeakPolarHBondContact O-CD1 3.38Å; R122-I126 WeakPolarHBondContact O-CG1 3.43Å; R122-L288 HydrophobicContact CB-CD2 4.17Å |
| 123 | F | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -77.2 | -39.2 | 170.7 | -84.1 | -68.9 | 0 | 0 | 0 | 111.3 | L119 W120 K121 I126 G127 T128 F140 P141 I285 L288 K289 | L119-F123 HydrophobicContact CD1-CD2 4.25Å; L119-F123 HydrophobicContact CD1-CE2 3.88Å; L119-F123 HydrophobicContact CG-CD2 4.25Å; L119-F123 HydrophobicContact CG-CE2 4.09Å; L119-F123 VanDerWaalsContact O-CD2 3.3Å; L119-F123 WeakPolarHBondContact O-CD2 3.39Å; L119-F123 PolarHBondContact O-N 3.15Å; W120-F123 WeakPolarHBondContact O-CA 3.49Å; W120-F123 PolarHBondContact O-N 2.79Å; K121-F123 VanDerWaalsContact C-N 3.29Å; K121-F123 PolarHBondContact O-N 2.89Å; F123-I126 PolarHBondContact O-N 3.04Å; F123-G127 CarbonylContact O-C 3.51Å; F123-G127 PolarHBondContact O-N 3.2Å; F123-T128 VanDerWaalsContact C-OG1 3.23Å; F123-T128 HydrophobicContact CB-CG2 4.07Å; F123-T128 WeakPolarHBondContact CB-OG1 3.41Å; F123-T128 PolarHBondContact O-N 2.88Å; F123-T128 PolarHBondContact O-OG1 2.9Å; F123-F140 HydrophobicContact CE2-CD1 4.25Å; F123-F140 AromaticContact CE2-CE1 3.86Å; F123-F140 HydrophobicContact CE2-CE1 3.86Å; F123-F140 HydrophobicContact CZ-CD1 4.14Å; F123-F140 AromaticContact CZ-CE1 3.91Å; F123-F140 HydrophobicContact CZ-CE1 3.91Å; F123-P141 HydrophobicContact CD2-CG 3.61Å; F123-P141 HydrophobicContact CE2-CG 3.74Å; F123-I285 HydrophobicContact CD1-CD1 3.95Å; F123-I285 HydrophobicContact CD1-CG2 4.37Å; F123-I285 HydrophobicContact CE1-CG2 4.26Å; F123-L288 HydrophobicContact CD1-CD2 3.67Å; F123-L288 HydrophobicContact CD1-CG 4.24Å; F123-L288 HydrophobicContact CD2-CD2 4.14Å; F123-L288 HydrophobicContact CE1-CB 3.84Å; F123-L288 HydrophobicContact CE1-CD2 3.64Å; F123-L288 HydrophobicContact CE1-CG 3.67Å; F123-L288 HydrophobicContact CE2-CD2 4.13Å; F123-L288 HydrophobicContact CE2-CG 4.13Å; F123-L288 HydrophobicContact CG-CD2 3.91Å; F123-L288 HydrophobicContact CZ-CB 4.11Å; F123-L288 HydrophobicContact CZ-CD2 3.88Å; F123-L288 HydrophobicContact CZ-CG 3.61Å; F123-K289 HydrophobicContact CE1-CD 3.59Å; F123-K289 HydrophobicContact CE1-CG 3.92Å; F123-K289 HydrophobicContact CZ-CD 3.73Å; F123-K289 HydrophobicContact CZ-CG 4.24Å |
| 124 | H | 98.1 | Very high | 98 | Very high | 84 Ų | 84 | 50.4 Ų | 50.4 | 39% | 0.389 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | -179.8 | -169.1 | 87.9 | 0 | 0 | 0 | 112.6 | W120 K121 I126 G127 T128 P270 E271 | W120-H124 WeakPolarHBondContact O-CB 3.29Å; W120-H124 PolarHBondContact O-N 3.35Å; K121-H124 WeakPolarHBondContact O-CA 3.28Å; K121-H124 WeakPolarHBondContact O-CB 3.45Å; K121-H124 PolarHBondContact O-N 3.07Å; H124-I126 PolarHBondContact O-N 3.02Å; H124-I126 VanDerWaalsContact O-N 3.17Å; H124-G127 PolarHBondContact O-N 2.89Å; H124-T128 WeakPolarHBondContact CA-OG1 3.3Å; H124-T128 PolarHBondContact N-OG1 3.16Å; H124-P270 PolarHBondContact CE1-O 3.14Å; H124-P270 PolarHBondContact ND1-O 2.96Å; H124-E271 HydrophobicContact CB-CB 4.25Å; H124-E271 WeakPolarHBondContact ND1-CA 3.49Å; H124-E271 PolarHBondContact ND1-O 3.29Å |
| 125 | E | 98.1 | Very high | 98 | Very high | 146 Ų | 146 | 53.1 Ų | 53.1 | 68% | 0.682 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -33.3 | 173.8 | -73.7 | 155.2 | -150.1 | 0 | 0 | 113.1 | K121 | K121-E125 VanDerWaalsContact O-CG 3.24Å; K121-E125 WeakPolarHBondContact O-CG 3.47Å; K121-E125 PolarHBondContact O-N 2.83Å |
| 126 | I | 97 | Very high | 98 | Very high | 51 Ų | 51 | 50.5 Ų | 50.5 | 26% | 0.262 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -14.3 | -179.5 | -55.8 | 173.4 | 0 | 0 | 0 | 111.3 | R122 F123 H124 N282 Q284 I285 L288 | R122-I126 WeakPolarHBondContact O-CD1 3.38Å; R122-I126 WeakPolarHBondContact O-CG1 3.43Å; F123-I126 PolarHBondContact O-N 3.04Å; H124-I126 PolarHBondContact O-N 3.02Å; H124-I126 VanDerWaalsContact O-N 3.17Å; I126-N282 VanDerWaalsContact CG2-ND2 3.29Å; I126-N282 WeakPolarHBondContact CG2-ND2 3.49Å; I126-Q284 HydrophobicContact CD1-CB 4.45Å; I126-Q284 HydrophobicContact CG2-CB 3.63Å; I126-I285 HydrophobicContact CB-CD1 3.68Å; I126-I285 HydrophobicContact CB-CG1 4.48Å; I126-I285 HydrophobicContact CG2-CD1 3.46Å; I126-I285 VanDerWaalsContact CG2-CD1 3.46Å; I126-I285 HydrophobicContact CG2-CG1 3.73Å; I126-L288 HydrophobicContact CD1-CD2 3.93Å |
| 127 | G | 97.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 54.4 Ų | 54.4 | 26% | 0.258 | 28% | 0.275 | S | S | . | . | trans | 86.9 | 90 | -170 | 0 | 0 | 0 | 0 | 0 | 111.9 | F123 H124 E129 I285 | F123-G127 CarbonylContact O-C 3.51Å; F123-G127 PolarHBondContact O-N 3.2Å; H124-G127 PolarHBondContact O-N 2.89Å; G127-E129 PolarHBondContact O-N 2.95Å; G127-I285 VanDerWaalsContact O-CD1 3.3Å; G127-I285 WeakPolarHBondContact O-CD1 3.33Å | ||
| 128 | T | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | trans | -53.7 | 126.1 | -175.8 | -49.6 | 0 | 0 | 0 | 0 | 112.4 | W120 F123 H124 M130 V273 F274 T275 | W120-T128 HydrophobicContact CZ3-CG2 4.35Å; F123-T128 VanDerWaalsContact C-OG1 3.23Å; F123-T128 HydrophobicContact CB-CG2 4.07Å; F123-T128 WeakPolarHBondContact CB-OG1 3.41Å; F123-T128 PolarHBondContact O-N 2.88Å; F123-T128 PolarHBondContact O-OG1 2.9Å; H124-T128 WeakPolarHBondContact CA-OG1 3.3Å; H124-T128 PolarHBondContact N-OG1 3.16Å; T128-M130 HydrophobicContact CG2-CE 4.12Å; T128-V273 WeakPolarHBondContact CB-O 3.44Å; T128-V273 PolarHBondContact OG1-O 3.25Å; T128-F274 HydrophobicContact CG2-CB 3.65Å; T128-F274 CarbonylContact O-C 3.52Å; T128-F274 VanDerWaalsContact O-CA 3.25Å; T128-F274 WeakPolarHBondContact O-CA 3.46Å; T128-F274 WeakPolarHBondContact O-CB 3.07Å; T128-T275 PolarHBondContact O-N 2.88Å | ||
| 129 | E | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 142.2 | 170.1 | -59.8 | 177.7 | -162.4 | 0 | 0 | 111.4 | G127 W179 T275 V277 Y280 Q281 N282 I285 K289 | G127-E129 PolarHBondContact O-N 2.95Å; E129-W179 HydrophobicContact CG-CZ2 4.04Å; E129-T275 CarbonylContact C-O 3.59Å; E129-T275 VanDerWaalsContact CA-O 3.31Å; E129-T275 WeakPolarHBondContact CA-O 3.38Å; E129-V277 HydrophobicContact CB-CG2 4.02Å; E129-V277 HydrophobicContact CG-CG1 4.45Å; E129-Y280 HydrophobicContact CB-CD1 3.93Å; E129-Y280 HydrophobicContact CB-CE1 4.24Å; E129-Y280 WeakPolarHBondContact OE2-CA 3.34Å; E129-Q281 PolarHBondContact OE2-N 3.37Å; E129-N282 WeakPolarHBondContact OE1-CB 3.31Å; E129-N282 PolarHBondContact OE1-N 2.81Å; E129-I285 HydrophobicContact CB-CG2 4.09Å; E129-I285 HydrophobicContact CG-CG1 4.29Å; E129-I285 HydrophobicContact CG-CG2 4.48Å; E129-K289 WeakPolarHBondContact O-CE 3.39Å; E129-K289 PolarHBondContact O-NZ 2.92Å |
| 130 | M | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.02 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 129 | 173.1 | -67.7 | -63.6 | -172.8 | 0 | 0 | 111.2 | W120 T128 M139 F140 L218 F274 T275 V277 | W120-M130 HydrophobicContact CH2-CE 3.5Å; W120-M130 HydrophobicContact CZ3-CE 3.69Å; T128-M130 HydrophobicContact CG2-CE 4.12Å; M130-M139 HydrophobicContact CE-CB 4.21Å; M130-M139 HydrophobicContact SD-CB 4.25Å; M130-F140 WeakPolarHBondContact CE-O 3.24Å; M130-L218 HydrophobicContact CB-CD1 4.01Å; M130-L218 HydrophobicContact CG-CD1 4.49Å; M130-F274 HydrophobicContact CB-CD2 3.66Å; M130-F274 HydrophobicContact CB-CE2 3.81Å; M130-F274 HydrophobicContact CB-CG 4.12Å; M130-F274 HydrophobicContact CB-CZ 4.38Å; M130-F274 HydrophobicContact CE-CD1 4.22Å; M130-F274 HydrophobicContact CG-CB 3.88Å; M130-F274 HydrophobicContact CG-CD1 3.69Å; M130-F274 HydrophobicContact CG-CD2 3.51Å; M130-F274 HydrophobicContact CG-CE1 4Å; M130-F274 HydrophobicContact CG-CE2 3.86Å; M130-F274 HydrophobicContact CG-CG 3.43Å; M130-F274 VanDerWaalsContact CG-CG 3.43Å; M130-F274 HydrophobicContact CG-CZ 4.09Å; M130-T275 PolarHBondContact N-O 3.3Å; M130-V277 PolarHBondContact O-N 3.35Å |
| 131 | I | 98.6 | Very high | 98.2 | Very high | 25 Ų | 25 | 54.7 Ų | 54.7 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 130.8 | 177.2 | -63.9 | -79.1 | 0 | 0 | 0 | 109.7 | T133 R137 V277 Y280 | I131-T133 HydrophobicContact CG2-CG2 3.92Å; I131-R137 HydrophobicContact CB-CG 4.12Å; I131-R137 HydrophobicContact CG2-CG 3.96Å; I131-R137 WeakPolarHBondContact O-CB 3.29Å; I131-R137 WeakPolarHBondContact O-CG 3.32Å; I131-V277 CarbonylContact C-O 3.57Å; I131-V277 VanDerWaalsContact CA-O 3.26Å; I131-V277 WeakPolarHBondContact CA-O 3.33Å; I131-V277 HydrophobicContact CD1-CG2 4Å; I131-Y280 HydrophobicContact CD1-CD1 4.05Å; I131-Y280 HydrophobicContact CD1-CD2 4.15Å; I131-Y280 HydrophobicContact CD1-CE1 4.03Å; I131-Y280 HydrophobicContact CD1-CE2 4.13Å; I131-Y280 HydrophobicContact CD1-CG 4.1Å; I131-Y280 HydrophobicContact CG1-CD1 4.14Å; I131-Y280 HydrophobicContact CG1-CD2 4.36Å; I131-Y280 HydrophobicContact CG1-CE1 3.59Å; I131-Y280 HydrophobicContact CG1-CE2 3.85Å; I131-Y280 HydrophobicContact CG1-CG 4.49Å; I131-Y280 VanDerWaalsContact CG1-CZ 3.41Å |
| 132 | I | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | trans | -114.3 | 141.8 | 170.5 | 64.1 | 176.2 | 0 | 0 | 0 | 110.6 | L218 N220 L231 T276 V277 T278 | I132-L218 HydrophobicContact CG2-CB 3.74Å; I132-L218 HydrophobicContact CG2-CD1 4.38Å; I132-N220 HydrophobicContact CB-CB 4.47Å; I132-N220 HydrophobicContact CD1-CB 3.63Å; I132-N220 HydrophobicContact CG1-CB 3.94Å; I132-L231 WeakPolarHBondContact CD1-O 3.45Å; I132-T276 HydrophobicContact CD1-CG2 4.48Å; I132-T276 HydrophobicContact CG2-CG2 3.9Å; I132-V277 PolarHBondContact N-O 2.69Å; I132-T278 HydrophobicContact CG1-CG2 4.43Å | ||
| 133 | T | 98.3 | Very high | 98.1 | Very high | 51 Ų | 51 | 46 Ų | 46 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | trans | -145.7 | 154.8 | -179.6 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | I131 A135 G136 R137 T219 N220 | I131-T133 HydrophobicContact CG2-CG2 3.92Å; T133-A135 PolarHBondContact O-N 2.61Å; T133-A135 VanDerWaalsContact O-N 3.08Å; T133-G136 PolarHBondContact O-N 3.46Å; T133-R137 HydrophobicContact CG2-CB 4.36Å; T133-T219 WeakPolarHBondContact O-CA 3.32Å; T133-T219 PolarHBondContact O-OG1 3.1Å; T133-T219 VanDerWaalsContact O-OG1 3.07Å; T133-N220 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 134 | K | 97.1 | Very high | 98.1 | Very high | 155 Ų | 155 | 51.7 Ų | 51.7 | 67% | 0.674 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -33 | -178.7 | -177.5 | 172.5 | -176.9 | 177.7 | 0 | 114.6 | T219 N220 N221 | K134-T219 PolarHBondContact O-OG1 2.71Å; K134-N220 PolarHBondContact N-OD1 3.2Å; K134-N221 HydrophobicContact CG-CB 4.18Å |
| 135 | A | 97.1 | Very high | 98.1 | Very high | 72 Ų | 72 | 47.7 Ų | 47.7 | 60% | 0.595 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 4.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T133 K217 H228 | T133-A135 PolarHBondContact O-N 2.61Å; T133-A135 VanDerWaalsContact O-N 3.08Å; A135-K217 PolarHBondContact O-NZ 3.45Å; A135-H228 PolarHBondContact O-CE1 2.92Å |
| 136 | G | 97.9 | Very high | 98.2 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | trans | 76.4 | 123.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T133 K217 L218 | T133-G136 PolarHBondContact O-N 3.46Å; G136-K217 WeakPolarHBondContact O-CD 3.35Å; G136-K217 WeakPolarHBondContact O-CE 3.42Å; G136-L218 CarbonylContact C-O 3.41Å; G136-L218 WeakPolarHBondContact CA-O 3.34Å | ||
| 137 | R | 98.5 | Very high | 98.2 | Very high | 131 Ų | 131 | 42 Ų | 42 | 49% | 0.494 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.4 | -178.9 | -173.1 | 70.1 | 175 | -174.3 | -2.4 | 111.1 | I131 T133 K217 L218 | I131-R137 HydrophobicContact CB-CG 4.12Å; I131-R137 HydrophobicContact CG2-CG 3.96Å; I131-R137 WeakPolarHBondContact O-CB 3.29Å; I131-R137 WeakPolarHBondContact O-CG 3.32Å; T133-R137 HydrophobicContact CG2-CB 4.36Å; R137-K217 CarbonylContact O-C 3.6Å; R137-K217 VanDerWaalsContact O-CA 3.31Å; R137-K217 WeakPolarHBondContact O-CA 3.38Å; R137-L218 PolarHBondContact N-O 3.16Å; R137-L218 PolarHBondContact O-N 3.18Å |
| 138 | R | 98.3 | Very high | 98.2 | Very high | 130 Ų | 130 | 42.8 Ų | 42.8 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 142.7 | 174.5 | -70.4 | 176.9 | 175.8 | -135.8 | 10.4 | 111.5 | D214 L216 K217 | R138-D214 WeakPolarHBondContact CD-O 3.46Å; R138-D214 WeakPolarHBondContact CG-O 3.48Å; R138-D214 IonicContact CZ-OD2 3.58Å; R138-D214 PolarHBondContact NE-O 3.06Å; R138-D214 PolarHBondContact NH1-O 2.63Å; R138-D214 IonicContact NH1-OD2 2.81Å; R138-D214 PolarHBondContact NH1-OD2 3.2Å; R138-L216 WeakPolarHBondContact CA-O 3.23Å; R138-K217 HydrophobicContact CG-CG 4.21Å |
| 139 | M | 98.4 | Very high | 98.1 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | trans | -66 | 149.3 | 174.2 | -60 | -169.4 | -61.5 | 0 | 0 | 111.6 | M130 P141 M143 M160 I162 L216 L218 F274 | M130-M139 HydrophobicContact CE-CB 4.21Å; M130-M139 HydrophobicContact SD-CB 4.25Å; M139-P141 CarbonylContact C-O 3.54Å; M139-M143 HydrophobicContact CE-CB 3.9Å; M139-M143 HydrophobicContact CE-CG 3.6Å; M139-M160 HydrophobicContact CE-CE 3.95Å; M139-M160 HydrophobicContact CE-SD 4.15Å; M139-M160 HydrophobicContact SD-CE 4.36Å; M139-I162 HydrophobicContact SD-CD1 4.5Å; M139-L216 HydrophobicContact CE-CD1 4.41Å; M139-L216 HydrophobicContact CE-CD2 4.06Å; M139-L216 HydrophobicContact CG-CD2 4.35Å; M139-L216 HydrophobicContact SD-CD2 4.19Å; M139-L218 HydrophobicContact CG-CD1 3.87Å; M139-L218 HydrophobicContact CG-CD2 4.33Å; M139-L218 HydrophobicContact CG-CG 3.99Å; M139-L218 HydrophobicContact SD-CD1 4.37Å; M139-L218 HydrophobicContact SD-CD2 4.38Å; M139-F274 HydrophobicContact SD-CE1 4.32Å | ||
| 140 | F | 98.4 | Very high | 97.9 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 15% | 0.149 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -143.2 | 121.4 | 164.5 | -174.8 | -90.7 | 0 | 0 | 0 | 110.7 | L119 F123 M130 K289 R292 N293 | L119-F140 HydrophobicContact CD2-CZ 4.18Å; F123-F140 HydrophobicContact CE2-CD1 4.25Å; F123-F140 AromaticContact CE2-CE1 3.86Å; F123-F140 HydrophobicContact CE2-CE1 3.86Å; F123-F140 HydrophobicContact CZ-CD1 4.14Å; F123-F140 AromaticContact CZ-CE1 3.91Å; F123-F140 HydrophobicContact CZ-CE1 3.91Å; M130-F140 WeakPolarHBondContact CE-O 3.24Å; F140-K289 HydrophobicContact CD1-CD 3.87Å; F140-K289 PolarHBondContact O-NZ 3.22Å; F140-R292 HydrophobicContact CE1-CB 4.01Å; F140-R292 VanDerWaalsContact CZ-C 3.42Å; F140-R292 HydrophobicContact CZ-CB 3.96Å; F140-R292 WeakPolarHBondContact CZ-O 3.46Å; F140-N293 HydrophobicContact CD1-CB 3.93Å; F140-N293 HydrophobicContact CD2-CB 3.9Å; F140-N293 HydrophobicContact CE1-CB 3.85Å; F140-N293 HydrophobicContact CE2-CB 3.82Å; F140-N293 HydrophobicContact CG-CB 3.96Å; F140-N293 VanDerWaalsContact CZ-CA 3.46Å; F140-N293 HydrophobicContact CZ-CB 3.81Å |
| 141 | P | 98.3 | Very high | 97.8 | Very high | 7 Ų | 7 | 46.8 Ų | 46.8 | 5% | 0.045 | 23% | 0.229 | C | C | . | . | S | Bend | cis | -61.4 | 159.3 | -0.5 | -18.7 | 32.6 | 0 | 0 | 0 | 112.4 | L119 W120 F123 M139 | L119-P141 HydrophobicContact CD2-CB 4.16Å; L119-P141 HydrophobicContact CD2-CG 3.87Å; L119-P141 HydrophobicContact CG-CG 3.83Å; W120-P141 HydrophobicContact CD2-CB 4.25Å; W120-P141 HydrophobicContact CD2-CG 4.09Å; W120-P141 HydrophobicContact CE3-CG 4.47Å; W120-P141 HydrophobicContact CG-CG 4.44Å; W120-P141 HydrophobicContact CZ2-CB 3.92Å; W120-P141 HydrophobicContact CZ2-CG 4.43Å; W120-P141 VanDerWaalsContact CZ2-O 3.31Å; W120-P141 WeakPolarHBondContact CZ2-O 3.16Å; F123-P141 HydrophobicContact CD2-CG 3.61Å; F123-P141 HydrophobicContact CE2-CG 3.74Å; M139-P141 CarbonylContact C-O 3.54Å |
| 142 | A | 97.8 | Very high | 97.7 | Very high | 24 Ų | 24 | 48.3 Ų | 48.3 | 20% | 0.198 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 141.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109 | R144 D214 | A142-R144 HydrophobicContact CB-CG 4.35Å; A142-R144 PolarHBondContact O-N 3.03Å; A142-D214 HydrophobicContact CB-CB 4.05Å |
| 143 | M | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 123.8 | 167.7 | -76 | -64.2 | -74.4 | 0 | 0 | 108.4 | L114 W120 M139 M160 F213 P239 V241 F269 T272 | L114-M143 HydrophobicContact CD1-CE 4.12Å; L114-M143 HydrophobicContact CD1-SD 4.08Å; W120-M143 HydrophobicContact CH2-CG 4.35Å; W120-M143 HydrophobicContact CH2-SD 3.98Å; W120-M143 HydrophobicContact CZ2-CG 3.96Å; W120-M143 HydrophobicContact CZ2-SD 3.5Å; W120-M143 WeakPolarHBondContact CZ2-SD 3.36Å; M139-M143 HydrophobicContact CE-CB 3.9Å; M139-M143 HydrophobicContact CE-CG 3.6Å; M143-M160 HydrophobicContact CB-SD 3.94Å; M143-M160 HydrophobicContact CG-SD 3.88Å; M143-F213 HydrophobicContact CB-CB 4.08Å; M143-F213 HydrophobicContact CB-CD2 3.92Å; M143-F213 HydrophobicContact CB-CG 4.4Å; M143-F213 PolarHBondContact O-N 3.36Å; M143-P239 HydrophobicContact CE-CB 4.15Å; M143-P239 HydrophobicContact SD-CB 4.49Å; M143-V241 HydrophobicContact CE-CG2 4.24Å; M143-F269 HydrophobicContact CE-CD2 4.11Å; M143-T272 HydrophobicContact CE-CG2 4.04Å; M143-T272 HydrophobicContact SD-CG2 3.6Å; M143-T272 VanDerWaalsContact SD-CG2 3.6Å |
| 144 | R | 98.3 | Very high | 97.3 | Very high | 118 Ų | 118 | 55.9 Ų | 55.9 | 45% | 0.445 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 131.9 | -179.9 | -64 | -175.4 | 72.9 | -157.2 | 2.4 | 108.4 | Q115 A142 V210 V211 | Q115-R144 HydrophobicContact CB-CB 4.09Å; Q115-R144 PolarHBondContact N-O 3.07Å; A142-R144 HydrophobicContact CB-CG 4.35Å; A142-R144 PolarHBondContact O-N 3.03Å; R144-V210 HydrophobicContact CB-CG1 3.91Å; R144-V211 VanDerWaalsContact CA-O 3.28Å; R144-V211 WeakPolarHBondContact CA-O 3.38Å |
| 145 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146.4 | -176.3 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | V112 E113 I147 V210 V211 F213 V241 F269 | V112-V145 HydrophobicContact CG1-CB 3.61Å; V112-V145 HydrophobicContact CG1-CG1 3.78Å; V112-V145 HydrophobicContact CG1-CG2 3.95Å; E113-V145 WeakPolarHBondContact O-CA 3.47Å; V145-I147 HydrophobicContact CG2-CG1 4.26Å; V145-V210 CarbonylContact O-C 3.5Å; V145-V210 WeakPolarHBondContact O-CA 3.28Å; V145-V211 HydrophobicContact CG2-CB 4.03Å; V145-V211 PolarHBondContact N-O 3.05Å; V145-V211 PolarHBondContact O-N 3.12Å; V145-F213 HydrophobicContact CG2-CE2 4.32Å; V145-V241 HydrophobicContact CG1-CG2 4.24Å; V145-V241 HydrophobicContact CG2-CG1 4.38Å; V145-F269 HydrophobicContact CG1-CE2 4.08Å; V145-F269 HydrophobicContact CG1-CZ 4.47Å |
| 146 | K | 98.3 | Very high | 97.2 | Very high | 78 Ų | 78 | 48.4 Ų | 48.4 | 34% | 0.339 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.8 | 165.6 | 179 | -178.6 | 154.5 | -132.8 | 0 | 107.6 | V112 E113 Q115 V210 | V112-K146 CarbonylContact C-O 3.58Å; V112-K146 WeakPolarHBondContact CA-O 3.48Å; E113-K146 HydrophobicContact CB-CB 4.39Å; E113-K146 PolarHBondContact N-O 2.83Å; E113-K146 PolarHBondContact O-N 3.04Å; E113-K146 WeakPolarHBondContact OE2-CD 3.48Å; E113-K146 IonicContact OE2-NZ 3.33Å; E113-K146 PolarHBondContact OE2-NZ 3.29Å; Q115-K146 HydrophobicContact CG-CB 4.11Å; K146-V210 HydrophobicContact CB-CG2 4.42Å |
| 147 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 141.7 | -179.2 | -49.5 | -179.9 | 0 | 0 | 0 | 108.3 | T110 R111 V112 V145 L150 I158 M207 V211 V243 | T110-I147 HydrophobicContact CG2-CG2 4.09Å; R111-I147 WeakPolarHBondContact O-CA 3.48Å; V112-I147 HydrophobicContact CG1-CG1 4.47Å; V112-I147 HydrophobicContact CG2-CG1 4.3Å; V112-I147 HydrophobicContact CG2-CG2 4.26Å; V145-I147 HydrophobicContact CG2-CG1 4.26Å; I147-L150 HydrophobicContact CG2-CD1 3.79Å; I147-L150 HydrophobicContact CG2-CD2 4.18Å; I147-L150 HydrophobicContact CG2-CG 3.85Å; I147-I158 HydrophobicContact CD1-CD1 3.55Å; I147-I158 HydrophobicContact CD1-CG1 4.1Å; I147-M207 WeakPolarHBondContact O-CG 3.41Å; I147-V211 HydrophobicContact CD1-CG2 4.06Å; I147-V211 HydrophobicContact CG1-CG2 4.42Å; I147-V243 HydrophobicContact CD1-CG2 4.45Å |
| 148 | T | 97.5 | Very high | 97 | Very high | 41 Ų | 41 | 44.1 Ų | 44.1 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 160.4 | 177.4 | 51.7 | 0 | 0 | 0 | 0 | 109.4 | T110 R111 | T110-T148 CarbonylContact C-O 3.57Å; T110-T148 VanDerWaalsContact CA-O 3.32Å; T110-T148 WeakPolarHBondContact CA-O 3.17Å; R111-T148 PolarHBondContact N-O 3.37Å; R111-T148 PolarHBondContact O-N 3Å |
| 149 | G | 95.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 38 Ų | 38 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 68.2 | 39.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E108 T110 M207 | E108-G149 WeakPolarHBondContact OE2-CA 3.4Å; T110-G149 VanDerWaalsContact CA-O 3.24Å; T110-G149 WeakPolarHBondContact CA-O 3.45Å; T110-G149 WeakPolarHBondContact CB-O 3.49Å; T110-G149 PolarHBondContact N-O 2.71Å; T110-G149 PolarHBondContact OG1-O 3.36Å; G149-M207 PolarHBondContact N-SD 3.27Å |
| 150 | L | 95.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | trans | -99.1 | 153.5 | 163.4 | -60.9 | 178.5 | 0 | 0 | 0 | 109.1 | T110 I147 P152 Y156 W206 M207 V243 | T110-L150 HydrophobicContact CG2-CD2 3.49Å; T110-L150 VanDerWaalsContact CG2-CD2 3.49Å; T110-L150 HydrophobicContact CG2-CG 4.33Å; I147-L150 HydrophobicContact CG2-CD1 3.79Å; I147-L150 HydrophobicContact CG2-CD2 4.18Å; I147-L150 HydrophobicContact CG2-CG 3.85Å; L150-P152 WeakPolarHBondContact O-CD 3.48Å; L150-Y156 HydrophobicContact CB-CD2 4.48Å; L150-Y156 HydrophobicContact CB-CE2 3.87Å; L150-Y156 HydrophobicContact CD1-CD2 4.17Å; L150-Y156 HydrophobicContact CD1-CE2 4.37Å; L150-Y156 HydrophobicContact CD2-CD1 4.3Å; L150-Y156 HydrophobicContact CD2-CD2 4.43Å; L150-Y156 HydrophobicContact CD2-CE1 4.04Å; L150-Y156 HydrophobicContact CD2-CE2 4.19Å; L150-Y156 HydrophobicContact CD2-CG 4.48Å; L150-Y156 HydrophobicContact CG-CE2 4.37Å; L150-W206 HydrophobicContact CD1-CB 3.69Å; L150-W206 HydrophobicContact CD1-CG 4.37Å; L150-M207 HydrophobicContact CB-CE 4.06Å; L150-M207 HydrophobicContact CB-CG 4.21Å; L150-M207 HydrophobicContact CB-SD 3.93Å; L150-M207 HydrophobicContact CD1-CG 4.18Å; L150-M207 HydrophobicContact CG-CG 4.25Å; L150-M207 HydrophobicContact CG-SD 4.41Å; L150-M207 PolarHBondContact N-SD 3.05Å; L150-M207 VanDerWaalsContact N-SD 3.36Å; L150-M207 WeakPolarHBondContact O-CE 3.49Å; L150-V243 HydrophobicContact CD2-CG1 3.77Å | ||
| 151 | D | 95.3 | Very high | 96.8 | Very high | 79 Ų | 79 | 36.3 Ų | 36.3 | 42% | 0.422 | 18% | 0.178 | S | C | . | . | trans | -66.4 | 124.1 | 166.4 | 178.8 | -47 | 0 | 0 | 0 | 108.7 | H153 Q154 Y156 G203 | D151-H153 VanDerWaalsContact C-N 3.29Å; D151-H153 PolarHBondContact O-N 3.3Å; D151-H153 WeakPolarHBondContact OD1-CA 3.43Å; D151-H153 WeakPolarHBondContact OD1-CB 3.22Å; D151-H153 IonicContact OD1-CD2 2.77Å; D151-H153 PolarHBondContact OD1-N 3.43Å; D151-Q154 HydrophobicContact CB-CB 3.72Å; D151-Q154 PolarHBondContact O-N 2.81Å; D151-Q154 PolarHBondContact OD1-N 2.8Å; D151-Q154 VanDerWaalsContact OD1-N 3.1Å; D151-Y156 PolarHBondContact N-OH 2.91Å; D151-Y156 VanDerWaalsContact N-OH 3.16Å; D151-G203 WeakPolarHBondContact O-CA 3.24Å | ||
| 152 | P | 96.3 | Very high | 96.8 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 36% | 0.364 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -59.1 | -35.9 | -177.2 | -27 | 36.3 | 0 | 0 | 0 | 114.6 | L150 S202 E204 M207 | L150-P152 WeakPolarHBondContact O-CD 3.48Å; P152-S202 WeakPolarHBondContact O-CB 3.41Å; P152-E204 HydrophobicContact CB-CB 4.01Å; P152-E204 HydrophobicContact CB-CG 4.43Å; P152-E204 WeakPolarHBondContact O-CB 3.4Å; P152-E204 PolarHBondContact O-N 3.4Å; P152-E204 VanDerWaalsContact O-N 3.13Å; P152-M207 HydrophobicContact CG-CE 4.3Å |
| 153 | H | 95.6 | Very high | 96.7 | Very high | 165 Ų | 165 | 38.5 Ų | 38.5 | 76% | 0.764 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -84.9 | -31 | -173.6 | -57.6 | -68.4 | 0 | 0 | 0 | 111.9 | D151 | D151-H153 VanDerWaalsContact C-N 3.29Å; D151-H153 PolarHBondContact O-N 3.3Å; D151-H153 WeakPolarHBondContact OD1-CA 3.43Å; D151-H153 WeakPolarHBondContact OD1-CB 3.22Å; D151-H153 IonicContact OD1-CD2 2.77Å; D151-H153 PolarHBondContact OD1-N 3.43Å |
| 154 | Q | 94.8 | Very high | 96.7 | Very high | 47 Ų | 47 | 42.5 Ų | 42.5 | 22% | 0.22 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -76.6 | 154.2 | -173.4 | -166.8 | 52.3 | 8.9 | 0 | 0 | 113.4 | D151 Y156 S202 G203 H245 E247 | D151-Q154 HydrophobicContact CB-CB 3.72Å; D151-Q154 PolarHBondContact O-N 2.81Å; D151-Q154 PolarHBondContact OD1-N 2.8Å; D151-Q154 VanDerWaalsContact OD1-N 3.1Å; Q154-Y156 HydrophobicContact CB-CE2 4.09Å; Q154-Y156 HydrophobicContact CG-CE2 4.44Å; Q154-Y156 WeakPolarHBondContact O-CD2 3.46Å; Q154-Y156 WeakPolarHBondContact O-CE2 3.2Å; Q154-S202 CarbonylContact O-C 3.52Å; Q154-S202 VanDerWaalsContact O-CA 3.3Å; Q154-S202 WeakPolarHBondContact O-CA 3.4Å; Q154-G203 PolarHBondContact O-N 3.33Å; Q154-H245 WeakPolarHBondContact CG-NE2 3.33Å; Q154-H245 PolarHBondContact NE2-CE1 3.06Å; Q154-H245 PolarHBondContact NE2-NE2 3.49Å; Q154-E247 PolarHBondContact NE2-OE1 3.31Å |
| 155 | Q | 95.4 | Very high | 96.7 | Very high | 59 Ų | 59 | 40.4 Ų | 40.4 | 28% | 0.276 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 137.8 | -173.3 | -62.7 | -67.4 | -58.4 | 0 | 0 | 112.2 | K246 | Q155-K246 HydrophobicContact CB-CB 3.59Å; Q155-K246 HydrophobicContact CB-CD 3.59Å; Q155-K246 HydrophobicContact CB-CG 4.16Å; Q155-K246 HydrophobicContact CG-CD 4.04Å; Q155-K246 VanDerWaalsContact O-CB 3.32Å; Q155-K246 WeakPolarHBondContact O-CB 3.3Å; Q155-K246 PolarHBondContact O-N 3.23Å |
| 156 | Y | 95.8 | Very high | 96.6 | Very high | 12 Ų | 12 | 42.4 Ų | 42.4 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 145.7 | -179.6 | -57.1 | -90.3 | 0 | 0 | 0 | 112.2 | L150 D151 Q154 P200 A201 W206 V243 I244 H245 | L150-Y156 HydrophobicContact CB-CD2 4.48Å; L150-Y156 HydrophobicContact CB-CE2 3.87Å; L150-Y156 HydrophobicContact CD1-CD2 4.17Å; L150-Y156 HydrophobicContact CD1-CE2 4.37Å; L150-Y156 HydrophobicContact CD2-CD1 4.3Å; L150-Y156 HydrophobicContact CD2-CD2 4.43Å; L150-Y156 HydrophobicContact CD2-CE1 4.04Å; L150-Y156 HydrophobicContact CD2-CE2 4.19Å; L150-Y156 HydrophobicContact CD2-CG 4.48Å; L150-Y156 HydrophobicContact CG-CE2 4.37Å; D151-Y156 PolarHBondContact N-OH 2.91Å; D151-Y156 VanDerWaalsContact N-OH 3.16Å; Q154-Y156 HydrophobicContact CB-CE2 4.09Å; Q154-Y156 HydrophobicContact CG-CE2 4.44Å; Q154-Y156 WeakPolarHBondContact O-CD2 3.46Å; Q154-Y156 WeakPolarHBondContact O-CE2 3.2Å; Y156-P200 WeakPolarHBondContact O-CA 3.12Å; Y156-A201 PolarHBondContact N-O 2.92Å; Y156-A201 PolarHBondContact O-N 3.48Å; Y156-A201 VanDerWaalsContact O-N 3.08Å; Y156-W206 PolarHBondContact O-NE1 3.28Å; Y156-V243 HydrophobicContact CD1-CG1 3.88Å; Y156-V243 HydrophobicContact CE1-CG1 4.47Å; Y156-V243 HydrophobicContact CG-CG1 4.45Å; Y156-I244 CarbonylContact C-O 3.56Å; Y156-I244 VanDerWaalsContact CA-O 3.3Å; Y156-I244 WeakPolarHBondContact CA-O 3.32Å; Y156-H245 AromaticContact CE1-CD2 3.74Å |
| 157 | Y | 95.9 | Very high | 96.5 | Very high | 51 Ų | 51 | 44.3 Ų | 44.3 | 20% | 0.2 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 137.7 | 160.6 | -65.8 | -95.6 | 0 | 0 | 0 | 109.4 | I195 P200 I244 K246 L252 | Y157-I195 HydrophobicContact CD1-CG2 4.41Å; Y157-P200 HydrophobicContact CD1-CB 4.18Å; Y157-P200 HydrophobicContact CD2-CB 4.26Å; Y157-P200 HydrophobicContact CE1-CB 3.91Å; Y157-P200 HydrophobicContact CE1-CG 4.03Å; Y157-P200 HydrophobicContact CE2-CB 3.99Å; Y157-P200 HydrophobicContact CE2-CG 4.49Å; Y157-P200 HydrophobicContact CG-CB 4.34Å; Y157-I244 PolarHBondContact N-O 3.47Å; Y157-I244 PolarHBondContact O-N 3.24Å; Y157-K246 HydrophobicContact CE2-CB 4.29Å; Y157-K246 HydrophobicContact CE2-CG 4Å; Y157-L252 HydrophobicContact CD1-CD1 4.09Å; Y157-L252 HydrophobicContact CD2-CD1 3.75Å; Y157-L252 HydrophobicContact CE2-CD1 4.43Å; Y157-L252 HydrophobicContact CG-CD1 3.57Å |
| 158 | I | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.3 | 170.9 | -58.7 | -60.7 | 0 | 0 | 0 | 108.6 | I147 H196 S199 W206 V211 F213 V241 H242 V243 | I147-I158 HydrophobicContact CD1-CD1 3.55Å; I147-I158 HydrophobicContact CD1-CG1 4.1Å; I158-H196 HydrophobicContact CB-CB 4.29Å; I158-H196 HydrophobicContact CG2-CB 4.49Å; I158-H196 WeakPolarHBondContact O-CB 3.29Å; I158-H196 PolarHBondContact O-N 2.96Å; I158-S199 PolarHBondContact N-OG 3.2Å; I158-S199 PolarHBondContact O-OG 2.82Å; I158-W206 HydrophobicContact CB-CE3 4.39Å; I158-W206 HydrophobicContact CB-CH2 3.82Å; I158-W206 HydrophobicContact CB-CZ2 3.99Å; I158-W206 HydrophobicContact CB-CZ3 4.03Å; I158-W206 HydrophobicContact CD1-CD2 4.43Å; I158-W206 HydrophobicContact CG1-CD2 3.48Å; I158-W206 VanDerWaalsContact CG1-CD2 3.48Å; I158-W206 VanDerWaalsContact CG1-CE2 3.45Å; I158-W206 HydrophobicContact CG1-CE3 3.66Å; I158-W206 HydrophobicContact CG1-CG 4.1Å; I158-W206 HydrophobicContact CG1-CH2 3.78Å; I158-W206 HydrophobicContact CG1-CZ2 3.61Å; I158-W206 HydrophobicContact CG1-CZ3 3.8Å; I158-V211 HydrophobicContact CG2-CG1 4.14Å; I158-F213 HydrophobicContact CG2-CE1 4.48Å; I158-F213 HydrophobicContact CG2-CZ 3.84Å; I158-V241 HydrophobicContact CG2-CG1 4.48Å; I158-H242 WeakPolarHBondContact CA-O 3.1Å; I158-V243 HydrophobicContact CD1-CB 4.16Å; I158-V243 HydrophobicContact CD1-CG1 4.04Å; I158-V243 HydrophobicContact CD1-CG2 3.81Å |
| 159 | A | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 163.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V193 Y194 H242 I244 I258 | A159-V193 HydrophobicContact CB-CG1 3.82Å; A159-Y194 CarbonylContact C-O 3.57Å; A159-Y194 VanDerWaalsContact CA-O 3.29Å; A159-Y194 WeakPolarHBondContact CA-O 3.18Å; A159-H242 HydrophobicContact CB-CB 4.48Å; A159-H242 PolarHBondContact N-O 3.09Å; A159-H242 PolarHBondContact O-N 3.3Å; A159-I244 HydrophobicContact CB-CD1 4.06Å; A159-I258 HydrophobicContact CB-CD1 3.99Å |
| 160 | M | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 131.6 | 173 | -157.2 | -165.7 | 96.4 | 0 | 0 | 110.5 | M139 M143 I162 Y194 F213 L216 P239 R240 V241 | M139-M160 HydrophobicContact CE-CE 3.95Å; M139-M160 HydrophobicContact CE-SD 4.15Å; M139-M160 HydrophobicContact SD-CE 4.36Å; M143-M160 HydrophobicContact CB-SD 3.94Å; M143-M160 HydrophobicContact CG-SD 3.88Å; M160-I162 HydrophobicContact CE-CD1 3.61Å; M160-I162 HydrophobicContact CE-CG1 3.46Å; M160-I162 VanDerWaalsContact CE-CG1 3.46Å; M160-Y194 PolarHBondContact N-O 2.64Å; M160-Y194 PolarHBondContact O-N 3.08Å; M160-F213 HydrophobicContact CB-CD1 3.95Å; M160-F213 HydrophobicContact CB-CE1 3.72Å; M160-F213 HydrophobicContact CB-CG 4.46Å; M160-F213 HydrophobicContact CB-CZ 4.03Å; M160-F213 HydrophobicContact SD-CB 4.39Å; M160-F213 HydrophobicContact SD-CD2 4.3Å; M160-F213 HydrophobicContact SD-CG 4.17Å; M160-L216 HydrophobicContact CB-CD1 4.22Å; M160-L216 HydrophobicContact CE-CD1 3.47Å; M160-L216 VanDerWaalsContact CE-CD1 3.47Å; M160-L216 HydrophobicContact CE-CD2 4.41Å; M160-L216 HydrophobicContact SD-CD1 3.83Å; M160-P239 HydrophobicContact CE-CB 4.09Å; M160-P239 HydrophobicContact SD-CB 4.42Å; M160-R240 VanDerWaalsContact CA-O 3.24Å; M160-R240 WeakPolarHBondContact CA-O 3.33Å; M160-R240 WeakPolarHBondContact CG-O 3.31Å; M160-V241 HydrophobicContact CG-CG2 4.21Å |
| 161 | D | 96.7 | Very high | 96.7 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 172.4 | 166.5 | 91.1 | 5.5 | 0 | 0 | 0 | 111.4 | V193 P239 R240 H242 I258 | D161-V193 HydrophobicContact CB-CG2 4.39Å; D161-P239 WeakPolarHBondContact O-CA 3.44Å; D161-R240 PolarHBondContact N-O 2.74Å; D161-R240 PolarHBondContact O-N 3.39Å; D161-R240 WeakPolarHBondContact OD1-CB 3.39Å; D161-R240 IonicContact OD1-CZ 2.64Å; D161-R240 IonicContact OD1-NE 3.94Å; D161-R240 PolarHBondContact OD1-NE 3.41Å; D161-R240 IonicContact OD1-NH2 3.39Å; D161-R240 PolarHBondContact OD1-NH2 2.93Å; D161-R240 IonicContact OD2-CZ 3.33Å; D161-R240 IonicContact OD2-NE 3.71Å; D161-R240 IonicContact OD2-NH2 3.59Å; D161-R240 PolarHBondContact OD2-NH2 3.21Å; D161-H242 VanDerWaalsContact CG-NE2 3.27Å; D161-H242 IonicContact OD1-NE2 3.19Å; D161-H242 PolarHBondContact OD1-NE2 3.2Å; D161-H242 IonicContact OD2-CE1 2.81Å; D161-H242 IonicContact OD2-NE2 3.41Å; D161-I258 HydrophobicContact CB-CG1 4.49Å |
| 162 | I | 97.8 | Very high | 96.8 | Very high | 18 Ų | 18 | 55.3 Ų | 55.3 | 9% | 0.092 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 107.6 | -179.4 | -59.6 | -177.7 | 0 | 0 | 0 | 107.8 | M139 M160 L218 I229 L231 Y237 F274 | M139-I162 HydrophobicContact SD-CD1 4.5Å; M160-I162 HydrophobicContact CE-CD1 3.61Å; M160-I162 HydrophobicContact CE-CG1 3.46Å; M160-I162 VanDerWaalsContact CE-CG1 3.46Å; I162-L218 HydrophobicContact CD1-CD2 3.44Å; I162-L218 VanDerWaalsContact CD1-CD2 3.44Å; I162-I229 HydrophobicContact CB-CG2 4.31Å; I162-I229 HydrophobicContact CD1-CD1 3.9Å; I162-I229 HydrophobicContact CD1-CG2 4.21Å; I162-I229 HydrophobicContact CG1-CD1 3.97Å; I162-I229 HydrophobicContact CG1-CG2 4.47Å; I162-L231 HydrophobicContact CB-CD2 4.24Å; I162-L231 HydrophobicContact CD1-CD1 4.41Å; I162-L231 HydrophobicContact CG2-CD1 4.2Å; I162-L231 HydrophobicContact CG2-CD2 3.77Å; I162-Y237 HydrophobicContact CG2-CD1 3.93Å; I162-Y237 HydrophobicContact CG2-CG 3.95Å; I162-F274 HydrophobicContact CD1-CZ 4.25Å; I162-F274 HydrophobicContact CG2-CZ 4.3Å |
| 163 | I | 96.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 52.9 Ų | 52.9 | 30% | 0.297 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 149.1 | -179.3 | 58.9 | 164.8 | 0 | 0 | 0 | 111.8 | Y237 Q238 R240 | I163-Y237 CarbonylContact O-C 3.55Å; I163-Y237 VanDerWaalsContact O-CA 3.28Å; I163-Y237 WeakPolarHBondContact O-CA 3.35Å; I163-Q238 HydrophobicContact CG1-CB 4.18Å; I163-Q238 PolarHBondContact N-O 2.93Å; I163-Q238 VanDerWaalsContact N-O 3.07Å; I163-Q238 PolarHBondContact O-N 3.22Å; I163-R240 HydrophobicContact CD1-CG 4.44Å; I163-R240 HydrophobicContact CG1-CG 4.27Å |
| 164 | P | 97.1 | Very high | 96.9 | Very high | 85 Ų | 85 | 51 Ų | 51 | 55% | 0.552 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 142.7 | 171.3 | 28.2 | -34.5 | 0 | 0 | 0 | 110.8 | K236 Y237 | P164-K236 WeakPolarHBondContact CA-O 3.45Å; P164-Y237 HydrophobicContact CB-CD1 4.3Å; P164-Y237 HydrophobicContact CB-CE1 4.13Å |
| 165 | V | 97.4 | Very high | 96.9 | Very high | 74 Ų | 74 | 57.2 Ų | 57.2 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -83.3 | -35.2 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | K236 Q238 V273 | V165-K236 HydrophobicContact CB-CB 3.95Å; V165-K236 HydrophobicContact CG2-CB 4.27Å; V165-K236 PolarHBondContact N-O 3.11Å; V165-Q238 HydrophobicContact CG2-CB 3.9Å; V165-V273 HydrophobicContact CG2-CG1 4.1Å; V165-V273 HydrophobicContact CG2-CG2 4.36Å |
| 166 | D | 96.8 | Very high | 96.8 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -149.8 | 167.1 | 177.1 | 60 | 29 | 0 | 0 | 0 | 111.6 | K168 Y170 | D166-K168 HydrophobicContact CB-CD 4.48Å; D166-K168 HydrophobicContact CB-CG 4.44Å; D166-K168 PolarHBondContact O-N 2.89Å; D166-K168 WeakPolarHBondContact OD1-CB 3.34Å; D166-K168 PolarHBondContact OD1-N 2.74Å; D166-Y170 WeakPolarHBondContact OD1-CE2 3.38Å; D166-Y170 PolarHBondContact OD2-OH 3.09Å |
| 167 | N | 96.7 | Very high | 96.8 | Very high | 118 Ų | 118 | 59.8 Ų | 59.8 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -88.4 | 48.4 | 176.4 | -169.8 | 5.6 | 0 | 0 | 0 | 111.1 | A185 | N167-A185 PolarHBondContact O-N 2.81Å; N167-A185 VanDerWaalsContact O-N 3.17Å; N167-A185 WeakPolarHBondContact OD1-CB 3.48Å |
| 168 | K | 97.6 | Very high | 96.7 | Very high | 96 Ų | 96 | 63.9 Ų | 63.9 | 42% | 0.417 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.4 | -175.9 | -58.2 | 173 | -173.7 | 164.4 | 0 | 112.2 | D166 Y170 V181 G183 H235 | D166-K168 HydrophobicContact CB-CD 4.48Å; D166-K168 HydrophobicContact CB-CG 4.44Å; D166-K168 PolarHBondContact O-N 2.89Å; D166-K168 WeakPolarHBondContact OD1-CB 3.34Å; D166-K168 PolarHBondContact OD1-N 2.74Å; K168-Y170 HydrophobicContact CB-CE2 3.93Å; K168-Y170 WeakPolarHBondContact O-CD2 3.14Å; K168-V181 HydrophobicContact CB-CG1 4.32Å; K168-V181 HydrophobicContact CD-CG1 4.43Å; K168-V181 HydrophobicContact CD-CG2 4Å; K168-G183 WeakPolarHBondContact CA-O 3.5Å; K168-H235 PolarHBondContact O-CD2 2.84Å |
| 169 | R | 98 | Very high | 96.7 | Very high | 108 Ų | 108 | 66.3 Ų | 66.3 | 41% | 0.408 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.5 | 168 | -173.4 | 167.9 | 173.6 | 174.2 | -2.1 | 109.8 | A182 G183 N184 D186 | R169-A182 PolarHBondContact O-N 3Å; R169-G183 PolarHBondContact N-O 3.26Å; R169-G183 PolarHBondContact O-N 3.02Å; R169-N184 WeakPolarHBondContact CB-O 3.31Å; R169-N184 PolarHBondContact N-O 3.41Å; R169-D186 IonicContact CZ-OD1 3.56Å; R169-D186 IonicContact CZ-OD2 3.67Å; R169-D186 IonicContact NE-OD1 3.09Å; R169-D186 IonicContact NE-OD2 3.98Å; R169-D186 VanDerWaalsContact NH1-CG 3.25Å; R169-D186 IonicContact NH1-OD1 3.65Å; R169-D186 PolarHBondContact NH1-OD1 2.96Å; R169-D186 IonicContact NH1-OD2 2.71Å; R169-D186 PolarHBondContact NH1-OD2 3.11Å |
| 170 | Y | 98.4 | Very high | 96.8 | Very high | 20 Ų | 20 | 70.1 Ų | 70.1 | 8% | 0.078 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 163.8 | -173.3 | -73.8 | -93.7 | 0 | 0 | 0 | 112.9 | D166 K168 M180 V181 M234 K236 | D166-Y170 WeakPolarHBondContact OD1-CE2 3.38Å; D166-Y170 PolarHBondContact OD2-OH 3.09Å; K168-Y170 HydrophobicContact CB-CE2 3.93Å; K168-Y170 WeakPolarHBondContact O-CD2 3.14Å; Y170-M180 CarbonylContact C-O 3.6Å; Y170-M180 WeakPolarHBondContact CA-O 3.03Å; Y170-V181 HydrophobicContact CE1-CG2 4.03Å; Y170-M234 WeakPolarHBondContact CB-O 3.26Å; Y170-M234 PolarHBondContact N-O 3.45Å; Y170-M234 WeakPolarHBondContact O-CB 3.48Å; Y170-K236 HydrophobicContact CD2-CD 4.45Å; Y170-K236 HydrophobicContact CD2-CG 4.18Å; Y170-K236 HydrophobicContact CE1-CD 4.39Å; Y170-K236 HydrophobicContact CE2-CB 4.45Å; Y170-K236 HydrophobicContact CE2-CD 3.7Å; Y170-K236 HydrophobicContact CE2-CG 3.81Å; Y170-K236 VanDerWaalsContact CZ-NZ 3.29Å; Y170-K236 WeakPolarHBondContact OH-CE 3.43Å; Y170-K236 PolarHBondContact OH-NZ 3.05Å |
| 171 | R | 97.9 | Very high | 96.8 | Very high | 122 Ų | 122 | 73.8 Ų | 73.8 | 46% | 0.46 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 146.1 | 163.3 | 66.6 | -177.5 | -179.4 | 107.8 | -7.9 | 110.4 | V173 M180 A182 | R171-V173 HydrophobicContact CG-CG2 4.31Å; R171-M180 PolarHBondContact N-O 2.87Å; R171-M180 PolarHBondContact O-N 3.2Å; R171-A182 HydrophobicContact CB-CB 4.16Å; R171-A182 HydrophobicContact CG-CB 4.12Å |
| 172 | Y | 98.2 | Very high | 96.8 | Very high | 18 Ų | 18 | 76.1 Ų | 76.1 | 7% | 0.071 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 144.7 | 169 | -166.5 | -107 | 0 | 0 | 0 | 110.5 | Y174 S177 W179 Q281 N282 | Y172-Y174 AromaticContact CD1-CD1 3.96Å; Y172-Y174 HydrophobicContact CD1-CD1 3.96Å; Y172-Y174 HydrophobicContact CD1-CD2 4.24Å; Y172-Y174 AromaticContact CD1-CE1 3.92Å; Y172-Y174 HydrophobicContact CD1-CE1 3.92Å; Y172-Y174 HydrophobicContact CD1-CE2 4.16Å; Y172-Y174 HydrophobicContact CD1-CG 4.13Å; Y172-Y174 HydrophobicContact CE1-CD1 4.02Å; Y172-Y174 HydrophobicContact CE1-CE1 4.23Å; Y172-Y174 HydrophobicContact CE1-CG 4.4Å; Y172-S177 VanDerWaalsContact OH-CA 3.31Å; Y172-S177 WeakPolarHBondContact OH-CA 3.5Å; Y172-S177 WeakPolarHBondContact OH-CB 3.36Å; Y172-S177 PolarHBondContact OH-O 3.05Å; Y172-W179 AromaticContact CD2-CD1 3.92Å; Y172-W179 AromaticContact CD2-CD2 3.87Å; Y172-W179 HydrophobicContact CD2-CD2 3.87Å; Y172-W179 AromaticContact CD2-CE2 3.75Å; Y172-W179 HydrophobicContact CD2-CE3 4.49Å; Y172-W179 AromaticContact CD2-CG 4Å; Y172-W179 HydrophobicContact CD2-CG 4Å; Y172-W179 HydrophobicContact CD2-CZ2 4.29Å; Y172-W179 AromaticContact CD2-NE1 3.75Å; Y172-Q281 HydrophobicContact CD1-CB 3.76Å; Y172-Q281 HydrophobicContact CD2-CB 4.24Å; Y172-Q281 HydrophobicContact CE1-CB 4.48Å; Y172-Q281 HydrophobicContact CG-CB 3.6Å; Y172-Q281 HydrophobicContact CG-CG 4.47Å; Y172-N282 HydrophobicContact CE2-CB 4.07Å |
| 173 | V | 97.6 | Very high | 96.7 | Very high | 5 Ų | 5 | 76.7 Ų | 76.7 | 3% | 0.03 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 93.1 | -173.5 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | R171 H175 S176 S177 K178 M180 | R171-V173 HydrophobicContact CG-CG2 4.31Å; V173-H175 WeakPolarHBondContact CG1-NE2 3.49Å; V173-H175 PolarHBondContact O-N 2.95Å; V173-S176 WeakPolarHBondContact CG1-OG 3.45Å; V173-S176 CarbonylContact O-C 3.57Å; V173-S176 PolarHBondContact O-N 3.06Å; V173-S176 VanDerWaalsContact O-N 3.13Å; V173-S176 PolarHBondContact O-OG 3.05Å; V173-S177 WeakPolarHBondContact O-CA 3.3Å; V173-S177 PolarHBondContact O-N 3.37Å; V173-K178 WeakPolarHBondContact CB-O 3.45Å; V173-K178 PolarHBondContact N-O 3.26Å; V173-K178 PolarHBondContact O-N 2.81Å; V173-M180 HydrophobicContact CG2-CB 4.1Å; V173-M180 HydrophobicContact CG2-CE 3.94Å; V173-M180 HydrophobicContact CG2-CG 3.71Å; V173-M180 HydrophobicContact CG2-SD 4.32Å |
| 174 | Y | 95.8 | Very high | 96.7 | Very high | 126 Ų | 126 | 80.1 Ų | 80.1 | 49% | 0.494 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -56.4 | -43.8 | -168.7 | -67.5 | -90 | 0 | 0 | 0 | 114 | Y172 S176 S177 Q281 | Y172-Y174 AromaticContact CD1-CD1 3.96Å; Y172-Y174 HydrophobicContact CD1-CD1 3.96Å; Y172-Y174 HydrophobicContact CD1-CD2 4.24Å; Y172-Y174 AromaticContact CD1-CE1 3.92Å; Y172-Y174 HydrophobicContact CD1-CE1 3.92Å; Y172-Y174 HydrophobicContact CD1-CE2 4.16Å; Y172-Y174 HydrophobicContact CD1-CG 4.13Å; Y172-Y174 HydrophobicContact CE1-CD1 4.02Å; Y172-Y174 HydrophobicContact CE1-CE1 4.23Å; Y172-Y174 HydrophobicContact CE1-CG 4.4Å; Y174-S176 PolarHBondContact O-N 2.91Å; Y174-S177 PolarHBondContact O-N 2.85Å; Y174-Q281 PolarHBondContact OH-OE1 3.32Å |
| 175 | H | 94.4 | Very high | 96.7 | Very high | 176 Ų | 176 | 77.3 Ų | 77.3 | 82% | 0.815 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -69.3 | -14.1 | -178 | 66.5 | 78.6 | 0 | 0 | 0 | 114.4 | V173 | V173-H175 WeakPolarHBondContact CG1-NE2 3.49Å; V173-H175 PolarHBondContact O-N 2.95Å |
| 176 | S | 93.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 76.4 Ų | 76.4 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -118.8 | 3.1 | 174 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | V173 Y174 K178 | V173-S176 WeakPolarHBondContact CG1-OG 3.45Å; V173-S176 CarbonylContact O-C 3.57Å; V173-S176 PolarHBondContact O-N 3.06Å; V173-S176 VanDerWaalsContact O-N 3.13Å; V173-S176 PolarHBondContact O-OG 3.05Å; Y174-S176 PolarHBondContact O-N 2.91Å; S176-K178 VanDerWaalsContact O-CG 3.3Å; S176-K178 WeakPolarHBondContact O-CG 3.48Å; S176-K178 PolarHBondContact O-N 3.08Å |
| 177 | S | 94.7 | Very high | 96.2 | Very high | 79 Ų | 79 | 79.1 Ų | 79.1 | 55% | 0.552 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.1 | 39.2 | -174.5 | -64.3 | 0 | 0 | 0 | 0 | 114.6 | Y172 V173 Y174 | Y172-S177 VanDerWaalsContact OH-CA 3.31Å; Y172-S177 WeakPolarHBondContact OH-CA 3.5Å; Y172-S177 WeakPolarHBondContact OH-CB 3.36Å; Y172-S177 PolarHBondContact OH-O 3.05Å; V173-S177 WeakPolarHBondContact O-CA 3.3Å; V173-S177 PolarHBondContact O-N 3.37Å; Y174-S177 PolarHBondContact O-N 2.85Å |
| 178 | K | 94.7 | Very high | 95.9 | Very high | 138 Ų | 138 | 79.6 Ų | 79.6 | 60% | 0.6 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145 | -172 | -79.6 | 166.2 | -173.1 | -178 | 0 | 113.2 | V173 S176 | V173-K178 WeakPolarHBondContact CB-O 3.45Å; V173-K178 PolarHBondContact N-O 3.26Å; V173-K178 PolarHBondContact O-N 2.81Å; S176-K178 VanDerWaalsContact O-CG 3.3Å; S176-K178 WeakPolarHBondContact O-CG 3.48Å; S176-K178 PolarHBondContact O-N 3.08Å |
| 179 | W | 97.2 | Very high | 95.4 | Very high | 51 Ų | 51 | 76.7 Ų | 76.7 | 19% | 0.193 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 130.3 | 164.5 | -74.3 | 101.9 | 0 | 0 | 0 | 110.2 | E129 Y172 M234 T275 V277 Q281 | E129-W179 HydrophobicContact CG-CZ2 4.04Å; Y172-W179 AromaticContact CD2-CD1 3.92Å; Y172-W179 AromaticContact CD2-CD2 3.87Å; Y172-W179 HydrophobicContact CD2-CD2 3.87Å; Y172-W179 AromaticContact CD2-CE2 3.75Å; Y172-W179 HydrophobicContact CD2-CE3 4.49Å; Y172-W179 AromaticContact CD2-CG 4Å; Y172-W179 HydrophobicContact CD2-CG 4Å; Y172-W179 HydrophobicContact CD2-CZ2 4.29Å; Y172-W179 AromaticContact CD2-NE1 3.75Å; W179-M234 HydrophobicContact CH2-CE 3.92Å; W179-M234 HydrophobicContact CH2-SD 4.34Å; W179-M234 HydrophobicContact CZ3-CE 3.65Å; W179-M234 HydrophobicContact CZ3-SD 4.44Å; W179-T275 HydrophobicContact CE3-CG2 4.39Å; W179-T275 HydrophobicContact CH2-CG2 3.66Å; W179-T275 HydrophobicContact CZ2-CG2 3.99Å; W179-T275 HydrophobicContact CZ3-CG2 3.88Å; W179-V277 HydrophobicContact CH2-CG1 3.86Å; W179-V277 HydrophobicContact CZ2-CG1 4.26Å; W179-Q281 HydrophobicContact CH2-CB 4.37Å; W179-Q281 HydrophobicContact CH2-CG 3.83Å; W179-Q281 HydrophobicContact CZ2-CB 4.18Å; W179-Q281 HydrophobicContact CZ2-CG 4.11Å |
| 180 | M | 97.2 | Very high | 94.9 | Very high | 80 Ų | 80 | 75.5 Ų | 75.5 | 39% | 0.394 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 154.6 | 172.8 | -59 | -149.3 | -48.1 | 0 | 0 | 110.6 | Y170 R171 V173 | Y170-M180 CarbonylContact C-O 3.6Å; Y170-M180 WeakPolarHBondContact CA-O 3.03Å; R171-M180 PolarHBondContact N-O 2.87Å; R171-M180 PolarHBondContact O-N 3.2Å; V173-M180 HydrophobicContact CG2-CB 4.1Å; V173-M180 HydrophobicContact CG2-CE 3.94Å; V173-M180 HydrophobicContact CG2-CG 3.71Å; V173-M180 HydrophobicContact CG2-SD 4.32Å |
| 181 | V | 98 | Very high | 94.4 | Very high | 76 Ų | 76 | 78.1 Ų | 78.1 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 137.4 | 171.2 | -178.8 | 0 | 0 | 0 | 0 | 109 | K168 Y170 | K168-V181 HydrophobicContact CB-CG1 4.32Å; K168-V181 HydrophobicContact CD-CG1 4.43Å; K168-V181 HydrophobicContact CD-CG2 4Å; Y170-V181 HydrophobicContact CE1-CG2 4.03Å |
| 182 | A | 96.9 | Very high | 94.2 | Very high | 62 Ų | 62 | 74.4 Ų | 74.4 | 51% | 0.512 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -27.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R169 R171 | R169-A182 PolarHBondContact O-N 3Å; R171-A182 HydrophobicContact CB-CB 4.16Å; R171-A182 HydrophobicContact CG-CB 4.12Å |
| 183 | G | 96.7 | Very high | 94 | Very high | 31 Ų | 31 | 73.8 Ų | 73.8 | 32% | 0.32 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | -165 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K168 R169 | K168-G183 WeakPolarHBondContact CA-O 3.5Å; R169-G183 PolarHBondContact N-O 3.26Å; R169-G183 PolarHBondContact O-N 3.02Å |
| 184 | N | 96.4 | Very high | 94 | Very high | 129 Ų | 129 | 75.5 Ų | 75.5 | 69% | 0.69 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 161.6 | 166.7 | -61.5 | 66.8 | 0 | 0 | 0 | 111.2 | R169 | R169-N184 WeakPolarHBondContact CB-O 3.31Å; R169-N184 PolarHBondContact N-O 3.41Å |
| 185 | A | 95.4 | Very high | 94 | Very high | 27 Ų | 27 | 71.6 Ų | 71.6 | 22% | 0.223 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 158.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N167 H235 | N167-A185 PolarHBondContact O-N 2.81Å; N167-A185 VanDerWaalsContact O-N 3.17Å; N167-A185 WeakPolarHBondContact OD1-CB 3.48Å; A185-H235 VanDerWaalsContact CA-NE2 3.26Å; A185-H235 WeakPolarHBondContact CA-NE2 3.43Å; A185-H235 WeakPolarHBondContact CB-NE2 3.48Å |
| 186 | D | 93.1 | Very high | 94.1 | Very high | 55 Ų | 55 | 63.7 Ų | 63.7 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 154.1 | 166.5 | -58.8 | -31.2 | 0 | 0 | 0 | 110.1 | R169 H235 | R169-D186 IonicContact CZ-OD1 3.56Å; R169-D186 IonicContact CZ-OD2 3.67Å; R169-D186 IonicContact NE-OD1 3.09Å; R169-D186 IonicContact NE-OD2 3.98Å; R169-D186 VanDerWaalsContact NH1-CG 3.25Å; R169-D186 IonicContact NH1-OD1 3.65Å; R169-D186 PolarHBondContact NH1-OD1 2.96Å; R169-D186 IonicContact NH1-OD2 2.71Å; R169-D186 PolarHBondContact NH1-OD2 3.11Å; D186-H235 PolarHBondContact N-NE2 2.86Å; D186-H235 VanDerWaalsContact N-NE2 3.11Å; D186-H235 IonicContact OD2-CE1 2.74Å; D186-H235 PolarHBondContact OD2-CE1 2.98Å; D186-H235 VanDerWaalsContact OD2-CE1 3.3Å |
| 187 | S | 92.4 | Very high | 94.2 | Very high | 99 Ų | 99 | 65 Ų | 65 | 69% | 0.692 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 138.7 | -172.4 | -60.3 | 0 | 0 | 0 | 0 | 113.7 | V189 H232 | S187-V189 PolarHBondContact O-N 3Å; S187-H232 PolarHBondContact O-CD2 3.3Å; S187-H232 PolarHBondContact O-NE2 3.24Å |
| 188 | P | 88.9 | Confident | 94.3 | Very high | 128 Ų | 128 | 65.3 Ų | 65.3 | 83% | 0.831 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 130.5 | -175.8 | 26 | -34.8 | 0 | 0 | 0 | 112.4 | ||
| 189 | V | 88.3 | Confident | 94.3 | Very high | 35 Ų | 35 | 59.9 Ų | 59.9 | 21% | 0.212 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 154.6 | 175.2 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | S187 I230 | S187-V189 PolarHBondContact O-N 3Å; V189-I230 HydrophobicContact CB-CG2 4.24Å; V189-I230 HydrophobicContact CG1-CG2 3.96Å; V189-I230 HydrophobicContact CG2-CB 4.5Å; V189-I230 HydrophobicContact CG2-CG2 4.45Å |
| 190 | P | 87.6 | Confident | 94.3 | Very high | 83 Ų | 83 | 60 Ų | 60 | 54% | 0.539 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 134.1 | 173.2 | -26.3 | 35.5 | 0 | 0 | 0 | 111.8 | R192 | P190-R192 PolarHBondContact O-N 2.83Š|
| 191 | P | 87.2 | Confident | 94.2 | Very high | 75 Ų | 75 | 56.9 Ų | 56.9 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 138.5 | 179.2 | -27.2 | 35.3 | 0 | 0 | 0 | 112.6 | V255 A257 | P191-V255 CarbonylContact O-C 3.59Å; P191-A257 HydrophobicContact CB-CB 4.38Å |
| 192 | R | 93.4 | Very high | 94.2 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | trans | -134.6 | 138.5 | 174.1 | -72.3 | -166.9 | 174 | -160 | -5.6 | 112.2 | P190 D224 H228 I230 P254 | P190-R192 PolarHBondContact O-N 2.83Å; R192-D224 VanDerWaalsContact CZ-O 3.23Å; R192-D224 PolarHBondContact NH1-O 2.86Å; R192-D224 IonicContact NH1-OD2 3.39Å; R192-D224 PolarHBondContact NH1-OD2 3.02Å; R192-D224 VanDerWaalsContact NH1-OD2 3.09Å; R192-D224 PolarHBondContact NH2-O 2.86Å; R192-H228 WeakPolarHBondContact CD-O 3.05Å; R192-H228 PolarHBondContact NH1-O 3.32Å; R192-I230 VanDerWaalsContact CZ-CD1 3.43Å; R192-P254 WeakPolarHBondContact CA-O 3.47Å | ||
| 193 | V | 94.5 | Very high | 94.2 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 32% | 0.316 | C | S | . | . | trans | -120.7 | 125.6 | -175.6 | 170.3 | 0 | 0 | 0 | 0 | 109 | A159 D161 I195 P254 R256 I258 | A159-V193 HydrophobicContact CB-CG1 3.82Å; D161-V193 HydrophobicContact CB-CG2 4.39Å; V193-I195 HydrophobicContact CG1-CG1 3.99Å; V193-P254 PolarHBondContact N-O 2.97Å; V193-R256 WeakPolarHBondContact CG2-O 3.4Å; V193-I258 HydrophobicContact CB-CD1 4.26Å; V193-I258 HydrophobicContact CG1-CD1 3.53Å; V193-I258 HydrophobicContact CG2-CD1 3.64Å; V193-I258 HydrophobicContact CG2-CG1 3.79Å | ||
| 194 | Y | 96.8 | Very high | 94.3 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 16% | 0.161 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 107.6 | 167.6 | -177.2 | -90.6 | 0 | 0 | 0 | 109.4 | A159 M160 F213 K215 L216 | A159-Y194 CarbonylContact C-O 3.57Å; A159-Y194 VanDerWaalsContact CA-O 3.29Å; A159-Y194 WeakPolarHBondContact CA-O 3.18Å; M160-Y194 PolarHBondContact N-O 2.64Å; M160-Y194 PolarHBondContact O-N 3.08Å; Y194-F213 AromaticContact CD1-CD1 3.68Å; Y194-F213 HydrophobicContact CD1-CD1 3.68Å; Y194-F213 HydrophobicContact CD1-CE1 4.19Å; Y194-F213 AromaticContact CE1-CD1 3.83Å; Y194-F213 HydrophobicContact CE1-CD1 3.83Å; Y194-K215 WeakPolarHBondContact OH-CB 3.39Å; Y194-L216 HydrophobicContact CD1-CB 4.31Å; Y194-L216 HydrophobicContact CD1-CD1 3.82Å; Y194-L216 HydrophobicContact CD1-CG 4.29Å; Y194-L216 HydrophobicContact CD2-CB 4.16Å; Y194-L216 HydrophobicContact CD2-CD1 4.29Å; Y194-L216 HydrophobicContact CD2-CG 3.98Å; Y194-L216 HydrophobicContact CE1-CB 4.41Å; Y194-L216 HydrophobicContact CE2-CB 4.29Å; Y194-L216 HydrophobicContact CG-CB 4.17Å; Y194-L216 HydrophobicContact CG-CD1 3.6Å; Y194-L216 HydrophobicContact CG-CG 3.81Å |
| 195 | I | 95.9 | Very high | 94.3 | Very high | 44 Ų | 44 | 51 Ų | 51 | 23% | 0.226 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.2 | 171.4 | -54.2 | 178 | 0 | 0 | 0 | 107.9 | Y157 V193 P254 | Y157-I195 HydrophobicContact CD1-CG2 4.41Å; V193-I195 HydrophobicContact CG1-CG1 3.99Å; I195-P254 HydrophobicContact CD1-CG 4.28Å |
| 196 | H | 97 | Very high | 94.4 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.046 | 30% | 0.297 | C | S | . | . | trans | -64.6 | 132.5 | 177.6 | -170.2 | -90.8 | 0 | 0 | 0 | 109.5 | I158 D198 S199 W206 V211 S212 F213 | I158-H196 HydrophobicContact CB-CB 4.29Å; I158-H196 HydrophobicContact CG2-CB 4.49Å; I158-H196 WeakPolarHBondContact O-CB 3.29Å; I158-H196 PolarHBondContact O-N 2.96Å; H196-D198 VanDerWaalsContact CE1-CG 3.47Å; H196-D198 IonicContact CE1-OD1 3.88Å; H196-D198 IonicContact CE1-OD2 3.46Å; H196-D198 PolarHBondContact CE1-OD2 2.84Å; H196-D198 VanDerWaalsContact CE1-OD2 3.31Å; H196-D198 PolarHBondContact ND1-N 3.14Å; H196-D198 IonicContact ND1-OD2 2.68Å; H196-D198 PolarHBondContact O-N 2.82Å; H196-S199 WeakPolarHBondContact O-CB 3.48Å; H196-S199 PolarHBondContact O-N 3.33Å; H196-S199 PolarHBondContact O-OG 3.34Å; H196-W206 HydrophobicContact CB-CH2 4.11Å; H196-W206 AromaticContact CE1-CZ3 4Å; H196-W206 AromaticContact ND1-CH2 3.48Å; H196-W206 WeakPolarHBondContact ND1-CH2 3.08Å; H196-W206 AromaticContact ND1-CZ3 3.49Å; H196-W206 WeakPolarHBondContact ND1-CZ3 3.35Å; H196-V211 VanDerWaalsContact CD2-CG1 3.48Å; H196-V211 WeakPolarHBondContact CD2-CG1 3.48Å; H196-S212 PolarHBondContact CD2-O 3.13Å; H196-S212 PolarHBondContact NE2-O 2.94Å; H196-F213 HydrophobicContact CB-CE1 4.28Å | ||
| 197 | P | 96.4 | Very high | 94.7 | Very high | 72 Ų | 72 | 50 Ų | 50 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -23 | -169.3 | 23.4 | -35 | 0 | 0 | 0 | 114.2 | S199 K215 | P197-S199 PolarHBondContact O-N 2.95Å; P197-K215 HydrophobicContact CG-CD 4.33Å |
| 198 | D | 96.4 | Very high | 94.9 | Very high | 86 Ų | 86 | 52.6 Ų | 52.6 | 46% | 0.46 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 10.3 | 178.1 | -48.4 | 1.1 | 0 | 0 | 0 | 112.2 | H196 A201 W206 | H196-D198 VanDerWaalsContact CE1-CG 3.47Å; H196-D198 IonicContact CE1-OD1 3.88Å; H196-D198 IonicContact CE1-OD2 3.46Å; H196-D198 PolarHBondContact CE1-OD2 2.84Å; H196-D198 VanDerWaalsContact CE1-OD2 3.31Å; H196-D198 PolarHBondContact ND1-N 3.14Å; H196-D198 IonicContact ND1-OD2 2.68Å; H196-D198 PolarHBondContact O-N 2.82Å; D198-A201 WeakPolarHBondContact O-CB 3.26Å; D198-W206 HydrophobicContact CB-CH2 4.05Å; D198-W206 HydrophobicContact CB-CZ3 4.38Å |
| 199 | S | 95.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 52.8 Ų | 52.8 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | trans | -94.1 | 142.8 | 179.8 | -51 | 0 | 0 | 0 | 0 | 112.8 | I158 H196 P197 W206 | I158-S199 PolarHBondContact N-OG 3.2Å; I158-S199 PolarHBondContact O-OG 2.82Å; H196-S199 WeakPolarHBondContact O-CB 3.48Å; H196-S199 PolarHBondContact O-N 3.33Å; H196-S199 PolarHBondContact O-OG 3.34Å; P197-S199 PolarHBondContact O-N 2.95Å; S199-W206 WeakPolarHBondContact OG-CZ2 3.34Å | ||
| 200 | P | 95.7 | Very high | 95.8 | Very high | 54 Ų | 54 | 53 Ų | 53 | 35% | 0.351 | 28% | 0.281 | S | S | . | . | S | Bend | cis | -79.4 | 149.7 | -6.3 | 32.7 | -33.5 | 0 | 0 | 0 | 112.1 | Y156 Y157 | Y156-P200 WeakPolarHBondContact O-CA 3.12Å; Y157-P200 HydrophobicContact CD1-CB 4.18Å; Y157-P200 HydrophobicContact CD2-CB 4.26Å; Y157-P200 HydrophobicContact CE1-CB 3.91Å; Y157-P200 HydrophobicContact CE1-CG 4.03Å; Y157-P200 HydrophobicContact CE2-CB 3.99Å; Y157-P200 HydrophobicContact CE2-CG 4.49Å; Y157-P200 HydrophobicContact CG-CB 4.34Å |
| 201 | A | 96.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 49.5 Ų | 49.5 | 12% | 0.124 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 168.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y156 D198 T205 W206 | Y156-A201 PolarHBondContact N-O 2.92Å; Y156-A201 PolarHBondContact O-N 3.48Å; Y156-A201 VanDerWaalsContact O-N 3.08Å; D198-A201 WeakPolarHBondContact O-CB 3.26Å; A201-T205 HydrophobicContact CB-CG2 4.09Å; A201-W206 HydrophobicContact CB-CZ2 4.1Å; A201-W206 PolarHBondContact O-NE1 3.14Å; A201-W206 VanDerWaalsContact O-NE1 3.14Å |
| 202 | S | 97.3 | Very high | 96.8 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 152.8 | 179.2 | 70.2 | 0 | 0 | 0 | 0 | 112.6 | P152 Q154 E204 T205 W206 | P152-S202 WeakPolarHBondContact O-CB 3.41Å; Q154-S202 CarbonylContact O-C 3.52Å; Q154-S202 VanDerWaalsContact O-CA 3.3Å; Q154-S202 WeakPolarHBondContact O-CA 3.4Å; S202-E204 PolarHBondContact O-N 3.26Å; S202-T205 WeakPolarHBondContact O-CA 3.48Å; S202-T205 WeakPolarHBondContact O-CB 3.31Å; S202-T205 PolarHBondContact O-N 3.26Å; S202-T205 PolarHBondContact OG-N 3.11Å; S202-T205 PolarHBondContact OG-OG1 3.21Å; S202-W206 PolarHBondContact O-N 2.84Å |
| 203 | G | 97 | Very high | 97 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.1 | -36.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D151 Q154 T205 W206 M207 | D151-G203 WeakPolarHBondContact O-CA 3.24Å; Q154-G203 PolarHBondContact O-N 3.33Å; G203-T205 VanDerWaalsContact C-N 3.3Å; G203-T205 PolarHBondContact O-N 2.87Å; G203-W206 PolarHBondContact O-N 3.02Å; G203-M207 WeakPolarHBondContact O-CB 3.35Å; G203-M207 VanDerWaalsContact O-CG 3.28Å; G203-M207 WeakPolarHBondContact O-CG 3.42Å; G203-M207 PolarHBondContact O-N 3.02Å |
| 204 | E | 97.6 | Very high | 97.1 | Very high | 94 Ų | 94 | 47.6 Ų | 47.6 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.2 | -40.3 | 173.7 | -160.4 | -141.7 | 147.8 | 0 | 0 | 111.7 | P152 S202 R208 | P152-E204 HydrophobicContact CB-CB 4.01Å; P152-E204 HydrophobicContact CB-CG 4.43Å; P152-E204 WeakPolarHBondContact O-CB 3.4Å; P152-E204 PolarHBondContact O-N 3.4Å; P152-E204 VanDerWaalsContact O-N 3.13Å; S202-E204 PolarHBondContact O-N 3.26Å; E204-R208 WeakPolarHBondContact O-CB 3.49Å; E204-R208 PolarHBondContact O-N 3.38Å; E204-R208 VanDerWaalsContact O-N 3.15Å; E204-R208 IonicContact OE1-CZ 3.16Å; E204-R208 IonicContact OE1-NH1 2.69Å; E204-R208 PolarHBondContact OE1-NH1 2.85Å; E204-R208 IonicContact OE1-NH2 3.56Å; E204-R208 PolarHBondContact OE1-NH2 3.04Å; E204-R208 IonicContact OE2-NH2 3.54Å; E204-R208 PolarHBondContact OE2-NH2 2.91Å |
| 205 | T | 97.8 | Very high | 97.1 | Very high | 60 Ų | 60 | 51.1 Ų | 51.1 | 37% | 0.368 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.5 | -42.9 | 178 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | A201 S202 G203 R208 | A201-T205 HydrophobicContact CB-CG2 4.09Å; S202-T205 WeakPolarHBondContact O-CA 3.48Å; S202-T205 WeakPolarHBondContact O-CB 3.31Å; S202-T205 PolarHBondContact O-N 3.26Å; S202-T205 PolarHBondContact OG-N 3.11Å; S202-T205 PolarHBondContact OG-OG1 3.21Å; G203-T205 VanDerWaalsContact C-N 3.3Å; G203-T205 PolarHBondContact O-N 2.87Å; T205-R208 WeakPolarHBondContact O-CB 3.48Å; T205-R208 PolarHBondContact O-N 3Å |
| 206 | W | 98 | Very high | 97.3 | Very high | 9 Ų | 9 | 49 Ų | 49 | 3% | 0.034 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.6 | -34.8 | 178.2 | -69.7 | 122.2 | 0 | 0 | 0 | 113.7 | L150 Y156 I158 H196 D198 S199 A201 S202 G203 R208 V211 | L150-W206 HydrophobicContact CD1-CB 3.69Å; L150-W206 HydrophobicContact CD1-CG 4.37Å; Y156-W206 PolarHBondContact O-NE1 3.28Å; I158-W206 HydrophobicContact CB-CE3 4.39Å; I158-W206 HydrophobicContact CB-CH2 3.82Å; I158-W206 HydrophobicContact CB-CZ2 3.99Å; I158-W206 HydrophobicContact CB-CZ3 4.03Å; I158-W206 HydrophobicContact CD1-CD2 4.43Å; I158-W206 HydrophobicContact CG1-CD2 3.48Å; I158-W206 VanDerWaalsContact CG1-CD2 3.48Å; I158-W206 VanDerWaalsContact CG1-CE2 3.45Å; I158-W206 HydrophobicContact CG1-CE3 3.66Å; I158-W206 HydrophobicContact CG1-CG 4.1Å; I158-W206 HydrophobicContact CG1-CH2 3.78Å; I158-W206 HydrophobicContact CG1-CZ2 3.61Å; I158-W206 HydrophobicContact CG1-CZ3 3.8Å; H196-W206 HydrophobicContact CB-CH2 4.11Å; H196-W206 AromaticContact CE1-CZ3 4Å; H196-W206 AromaticContact ND1-CH2 3.48Å; H196-W206 WeakPolarHBondContact ND1-CH2 3.08Å; H196-W206 AromaticContact ND1-CZ3 3.49Å; H196-W206 WeakPolarHBondContact ND1-CZ3 3.35Å; D198-W206 HydrophobicContact CB-CH2 4.05Å; D198-W206 HydrophobicContact CB-CZ3 4.38Å; S199-W206 WeakPolarHBondContact OG-CZ2 3.34Å; A201-W206 HydrophobicContact CB-CZ2 4.1Å; A201-W206 PolarHBondContact O-NE1 3.14Å; A201-W206 VanDerWaalsContact O-NE1 3.14Å; S202-W206 PolarHBondContact O-N 2.84Å; G203-W206 PolarHBondContact O-N 3.02Å; W206-R208 VanDerWaalsContact C-N 3.34Å; W206-V211 HydrophobicContact CE3-CG1 4.47Å; W206-V211 HydrophobicContact CE3-CG2 3.73Å; W206-V211 HydrophobicContact CZ3-CG1 4.04Å; W206-V211 HydrophobicContact CZ3-CG2 4.12Å |
| 207 | M | 97.9 | Very high | 97.3 | Very high | 53 Ų | 53 | 51.8 Ų | 51.8 | 26% | 0.261 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -78.5 | -17.7 | 177.1 | -65.5 | -171 | -68.3 | 0 | 0 | 113.1 | I147 G149 L150 P152 G203 Q209 | I147-M207 WeakPolarHBondContact O-CG 3.41Å; G149-M207 PolarHBondContact N-SD 3.27Å; L150-M207 HydrophobicContact CB-CE 4.06Å; L150-M207 HydrophobicContact CB-CG 4.21Å; L150-M207 HydrophobicContact CB-SD 3.93Å; L150-M207 HydrophobicContact CD1-CG 4.18Å; L150-M207 HydrophobicContact CG-CG 4.25Å; L150-M207 HydrophobicContact CG-SD 4.41Å; L150-M207 PolarHBondContact N-SD 3.05Å; L150-M207 VanDerWaalsContact N-SD 3.36Å; L150-M207 WeakPolarHBondContact O-CE 3.49Å; P152-M207 HydrophobicContact CG-CE 4.3Å; G203-M207 WeakPolarHBondContact O-CB 3.35Å; G203-M207 VanDerWaalsContact O-CG 3.28Å; G203-M207 WeakPolarHBondContact O-CG 3.42Å; G203-M207 PolarHBondContact O-N 3.02Å; M207-Q209 VanDerWaalsContact C-N 3.31Å; M207-Q209 PolarHBondContact O-N 3.06Å |
| 208 | R | 97.6 | Very high | 97.4 | Very high | 153 Ų | 153 | 48.4 Ų | 48.4 | 58% | 0.577 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -63.6 | -30.3 | -176.5 | -156.9 | -176.1 | -52.7 | -71.3 | 2.3 | 114.1 | E204 T205 W206 | E204-R208 WeakPolarHBondContact O-CB 3.49Å; E204-R208 PolarHBondContact O-N 3.38Å; E204-R208 VanDerWaalsContact O-N 3.15Å; E204-R208 IonicContact OE1-CZ 3.16Å; E204-R208 IonicContact OE1-NH1 2.69Å; E204-R208 PolarHBondContact OE1-NH1 2.85Å; E204-R208 IonicContact OE1-NH2 3.56Å; E204-R208 PolarHBondContact OE1-NH2 3.04Å; E204-R208 IonicContact OE2-NH2 3.54Å; E204-R208 PolarHBondContact OE2-NH2 2.91Å; T205-R208 WeakPolarHBondContact O-CB 3.48Å; T205-R208 PolarHBondContact O-N 3Å; W206-R208 VanDerWaalsContact C-N 3.34Å |
| 209 | Q | 96.8 | Very high | 97.5 | Very high | 131 Ų | 131 | 44.3 Ų | 44.3 | 61% | 0.612 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -154.1 | 172.7 | -175.1 | 64.5 | 175.8 | -5.4 | 0 | 0 | 113.5 | M207 V211 | M207-Q209 VanDerWaalsContact C-N 3.31Å; M207-Q209 PolarHBondContact O-N 3.06Å; Q209-V211 PolarHBondContact O-N 3.26Å |
| 210 | V | 98.1 | Very high | 97.6 | Very high | 41 Ų | 41 | 46.8 Ų | 46.8 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | trans | -74.2 | 116.6 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 111 | Q115 R144 V145 K146 | Q115-V210 HydrophobicContact CB-CG1 4.09Å; Q115-V210 HydrophobicContact CG-CG1 3.76Å; Q115-V210 HydrophobicContact CG-CG2 3.92Å; R144-V210 HydrophobicContact CB-CG1 3.91Å; V145-V210 CarbonylContact O-C 3.5Å; V145-V210 WeakPolarHBondContact O-CA 3.28Å; K146-V210 HydrophobicContact CB-CG2 4.42Å | ||
| 211 | V | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 140.9 | 173.7 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | R144 V145 I147 I158 H196 W206 Q209 F213 | R144-V211 VanDerWaalsContact CA-O 3.28Å; R144-V211 WeakPolarHBondContact CA-O 3.38Å; V145-V211 HydrophobicContact CG2-CB 4.03Å; V145-V211 PolarHBondContact N-O 3.05Å; V145-V211 PolarHBondContact O-N 3.12Å; I147-V211 HydrophobicContact CD1-CG2 4.06Å; I147-V211 HydrophobicContact CG1-CG2 4.42Å; I158-V211 HydrophobicContact CG2-CG1 4.14Å; H196-V211 VanDerWaalsContact CD2-CG1 3.48Å; H196-V211 WeakPolarHBondContact CD2-CG1 3.48Å; W206-V211 HydrophobicContact CE3-CG1 4.47Å; W206-V211 HydrophobicContact CE3-CG2 3.73Å; W206-V211 HydrophobicContact CZ3-CG1 4.04Å; W206-V211 HydrophobicContact CZ3-CG2 4.12Å; Q209-V211 PolarHBondContact O-N 3.26Å; V211-F213 HydrophobicContact CG1-CZ 4.48Å |
| 212 | S | 98.1 | Very high | 97.5 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 19% | 0.189 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 118.6 | -169 | -175 | 0 | 0 | 0 | 0 | 113 | H196 D214 | H196-S212 PolarHBondContact CD2-O 3.13Å; H196-S212 PolarHBondContact NE2-O 2.94Å; S212-D214 VanDerWaalsContact C-N 3.29Å; S212-D214 PolarHBondContact O-N 3.22Å; S212-D214 PolarHBondContact OG-OD1 3.43Å |
| 213 | F | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | trans | -93.7 | 29.4 | 173.8 | -58 | -80.1 | 0 | 0 | 0 | 112.1 | M143 V145 I158 M160 Y194 H196 V211 K215 L216 V241 | M143-F213 HydrophobicContact CB-CB 4.08Å; M143-F213 HydrophobicContact CB-CD2 3.92Å; M143-F213 HydrophobicContact CB-CG 4.4Å; M143-F213 PolarHBondContact O-N 3.36Å; V145-F213 HydrophobicContact CG2-CE2 4.32Å; I158-F213 HydrophobicContact CG2-CE1 4.48Å; I158-F213 HydrophobicContact CG2-CZ 3.84Å; M160-F213 HydrophobicContact CB-CD1 3.95Å; M160-F213 HydrophobicContact CB-CE1 3.72Å; M160-F213 HydrophobicContact CB-CG 4.46Å; M160-F213 HydrophobicContact CB-CZ 4.03Å; M160-F213 HydrophobicContact SD-CB 4.39Å; M160-F213 HydrophobicContact SD-CD2 4.3Å; M160-F213 HydrophobicContact SD-CG 4.17Å; Y194-F213 AromaticContact CD1-CD1 3.68Å; Y194-F213 HydrophobicContact CD1-CD1 3.68Å; Y194-F213 HydrophobicContact CD1-CE1 4.19Å; Y194-F213 AromaticContact CE1-CD1 3.83Å; Y194-F213 HydrophobicContact CE1-CD1 3.83Å; H196-F213 HydrophobicContact CB-CE1 4.28Å; V211-F213 HydrophobicContact CG1-CZ 4.48Å; F213-K215 PolarHBondContact O-N 3.02Å; F213-L216 HydrophobicContact CB-CB 4.3Å; F213-L216 HydrophobicContact CB-CD1 4.34Å; F213-L216 WeakPolarHBondContact O-CB 3.28Å; F213-L216 PolarHBondContact O-N 3.26Å; F213-L216 VanDerWaalsContact O-N 3.14Å; F213-V241 HydrophobicContact CE2-CG1 4.26Å; F213-V241 HydrophobicContact CE2-CG2 3.95Å; F213-V241 HydrophobicContact CZ-CG1 4.19Å; F213-V241 HydrophobicContact CZ-CG2 4.42Å | ||
| 214 | D | 96.8 | Very high | 97.1 | Very high | 57 Ų | 57 | 57.6 Ų | 57.6 | 31% | 0.305 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -22.6 | -178.2 | 72.3 | -82.1 | 0 | 0 | 0 | 113.8 | R138 A142 S212 | R138-D214 WeakPolarHBondContact CD-O 3.46Å; R138-D214 WeakPolarHBondContact CG-O 3.48Å; R138-D214 IonicContact CZ-OD2 3.58Å; R138-D214 PolarHBondContact NE-O 3.06Å; R138-D214 PolarHBondContact NH1-O 2.63Å; R138-D214 IonicContact NH1-OD2 2.81Å; R138-D214 PolarHBondContact NH1-OD2 3.2Å; A142-D214 HydrophobicContact CB-CB 4.05Å; S212-D214 VanDerWaalsContact C-N 3.29Å; S212-D214 PolarHBondContact O-N 3.22Å; S212-D214 PolarHBondContact OG-OD1 3.43Å |
| 215 | K | 96.9 | Very high | 96.9 | Very high | 114 Ų | 114 | 59.5 Ų | 59.5 | 50% | 0.496 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -17.3 | 175.6 | -64.4 | 172.3 | -172.6 | 167.2 | 0 | 112.5 | Y194 P197 F213 | Y194-K215 WeakPolarHBondContact OH-CB 3.39Å; P197-K215 HydrophobicContact CG-CD 4.33Å; F213-K215 PolarHBondContact O-N 3.02Å |
| 216 | L | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | trans | -63.2 | 137.8 | 179.9 | -168.7 | 157.1 | 0 | 0 | 0 | 110.7 | R138 M139 M160 Y194 F213 L218 I229 | R138-L216 WeakPolarHBondContact CA-O 3.23Å; M139-L216 HydrophobicContact CE-CD1 4.41Å; M139-L216 HydrophobicContact CE-CD2 4.06Å; M139-L216 HydrophobicContact CG-CD2 4.35Å; M139-L216 HydrophobicContact SD-CD2 4.19Å; M160-L216 HydrophobicContact CB-CD1 4.22Å; M160-L216 HydrophobicContact CE-CD1 3.47Å; M160-L216 VanDerWaalsContact CE-CD1 3.47Å; M160-L216 HydrophobicContact CE-CD2 4.41Å; M160-L216 HydrophobicContact SD-CD1 3.83Å; Y194-L216 HydrophobicContact CD1-CB 4.31Å; Y194-L216 HydrophobicContact CD1-CD1 3.82Å; Y194-L216 HydrophobicContact CD1-CG 4.29Å; Y194-L216 HydrophobicContact CD2-CB 4.16Å; Y194-L216 HydrophobicContact CD2-CD1 4.29Å; Y194-L216 HydrophobicContact CD2-CG 3.98Å; Y194-L216 HydrophobicContact CE1-CB 4.41Å; Y194-L216 HydrophobicContact CE2-CB 4.29Å; Y194-L216 HydrophobicContact CG-CB 4.17Å; Y194-L216 HydrophobicContact CG-CD1 3.6Å; Y194-L216 HydrophobicContact CG-CG 3.81Å; F213-L216 HydrophobicContact CB-CB 4.3Å; F213-L216 HydrophobicContact CB-CD1 4.34Å; F213-L216 WeakPolarHBondContact O-CB 3.28Å; F213-L216 PolarHBondContact O-N 3.26Å; F213-L216 VanDerWaalsContact O-N 3.14Å; L216-L218 HydrophobicContact CD2-CD2 3.65Å; L216-L218 HydrophobicContact CD2-CG 4.5Å; L216-I229 HydrophobicContact CD1-CD1 4.07Å; L216-I229 HydrophobicContact CD2-CD1 4.16Å; L216-I229 HydrophobicContact CG-CD1 4.35Å | ||
| 217 | K | 98.2 | Very high | 96.3 | Very high | 68 Ų | 68 | 64.2 Ų | 64.2 | 30% | 0.296 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.3 | 178.3 | -76.8 | 169.9 | 159.7 | -163.5 | 0 | 112.2 | A135 G136 R137 R138 H228 I229 | A135-K217 PolarHBondContact O-NZ 3.45Å; G136-K217 WeakPolarHBondContact O-CD 3.35Å; G136-K217 WeakPolarHBondContact O-CE 3.42Å; R137-K217 CarbonylContact O-C 3.6Å; R137-K217 VanDerWaalsContact O-CA 3.31Å; R137-K217 WeakPolarHBondContact O-CA 3.38Å; R138-K217 HydrophobicContact CG-CG 4.21Å; K217-H228 HydrophobicContact CB-CB 4.39Å; K217-H228 WeakPolarHBondContact CD-CD2 3.39Å; K217-H228 WeakPolarHBondContact CD-NE2 3.3Å; K217-H228 PolarHBondContact NZ-NE2 3.4Å; K217-H228 VanDerWaalsContact NZ-NE2 3.11Å; K217-I229 PolarHBondContact O-N 3.39Å; K217-I229 VanDerWaalsContact O-N 3.11Å |
| 218 | L | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.5 | 174 | -49.4 | -177.2 | 0 | 0 | 0 | 110.3 | M130 I132 G136 R137 M139 I162 L216 I229 L231 F274 | M130-L218 HydrophobicContact CB-CD1 4.01Å; M130-L218 HydrophobicContact CG-CD1 4.49Å; I132-L218 HydrophobicContact CG2-CB 3.74Å; I132-L218 HydrophobicContact CG2-CD1 4.38Å; G136-L218 CarbonylContact C-O 3.41Å; G136-L218 WeakPolarHBondContact CA-O 3.34Å; R137-L218 PolarHBondContact N-O 3.16Å; R137-L218 PolarHBondContact O-N 3.18Å; M139-L218 HydrophobicContact CG-CD1 3.87Å; M139-L218 HydrophobicContact CG-CD2 4.33Å; M139-L218 HydrophobicContact CG-CG 3.99Å; M139-L218 HydrophobicContact SD-CD1 4.37Å; M139-L218 HydrophobicContact SD-CD2 4.38Å; I162-L218 HydrophobicContact CD1-CD2 3.44Å; I162-L218 VanDerWaalsContact CD1-CD2 3.44Å; L216-L218 HydrophobicContact CD2-CD2 3.65Å; L216-L218 HydrophobicContact CD2-CG 4.5Å; L218-I229 CarbonylContact C-O 3.54Å; L218-I229 WeakPolarHBondContact CA-O 3.42Å; L218-I229 HydrophobicContact CD2-CB 4.26Å; L218-L231 HydrophobicContact CB-CD1 4.37Å; L218-L231 HydrophobicContact CD1-CD1 4.01Å; L218-L231 HydrophobicContact CD2-CD1 3.94Å; L218-L231 HydrophobicContact CG-CD1 4.33Å; L218-F274 HydrophobicContact CD1-CE2 4.08Å; L218-F274 HydrophobicContact CD1-CZ 3.77Å |
| 219 | T | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 155.4 | -179.5 | -170.1 | 0 | 0 | 0 | 0 | 111.9 | T133 K134 N221 D224 H228 I229 I230 L231 | T133-T219 WeakPolarHBondContact O-CA 3.32Å; T133-T219 PolarHBondContact O-OG1 3.1Å; T133-T219 VanDerWaalsContact O-OG1 3.07Å; K134-T219 PolarHBondContact O-OG1 2.71Å; T219-N221 WeakPolarHBondContact OG1-CB 3.42Å; T219-N221 PolarHBondContact OG1-N 3.46Å; T219-D224 HydrophobicContact CG2-CB 3.86Å; T219-H228 HydrophobicContact CG2-CB 3.79Å; T219-I229 PolarHBondContact N-O 3.04Å; T219-I230 HydrophobicContact CG2-CB 4.27Å; T219-I230 HydrophobicContact CG2-CG1 3.76Å; T219-I230 WeakPolarHBondContact O-CA 3.49Å; T219-L231 PolarHBondContact O-N 2.75Å |
| 220 | N | 97.1 | Very high | 96.3 | Very high | 75 Ų | 75 | 49.9 Ų | 49.9 | 40% | 0.401 | 26% | 0.261 | S | S | . | . | trans | -105.5 | 12.1 | 169.5 | 78 | -73.3 | 0 | 0 | 0 | 112.4 | I132 T133 K134 | I132-N220 HydrophobicContact CB-CB 4.47Å; I132-N220 HydrophobicContact CD1-CB 3.63Å; I132-N220 HydrophobicContact CG1-CB 3.94Å; T133-N220 WeakPolarHBondContact CA-OD1 3.42Å; K134-N220 PolarHBondContact N-OD1 3.2Å | ||
| 221 | N | 96.4 | Very high | 96.2 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | trans | -92.5 | 107.8 | 177.3 | -177.3 | 31.6 | 0 | 0 | 0 | 109.7 | K134 T219 L223 D224 I230 | K134-N221 HydrophobicContact CG-CB 4.18Å; T219-N221 WeakPolarHBondContact OG1-CB 3.42Å; T219-N221 PolarHBondContact OG1-N 3.46Å; N221-L223 VanDerWaalsContact ND2-C 3.27Å; N221-L223 PolarHBondContact ND2-O 2.82Å; N221-L223 PolarHBondContact O-N 3.44Å; N221-L223 PolarHBondContact OD1-N 2.84Å; N221-D224 HydrophobicContact CB-CB 4.26Å; N221-D224 WeakPolarHBondContact ND2-CA 3.38Å; N221-D224 PolarHBondContact ND2-N 2.79Å; N221-D224 WeakPolarHBondContact O-CB 3.45Å; N221-D224 PolarHBondContact O-N 3.34Å; N221-I230 WeakPolarHBondContact O-CG1 3.49Å | ||
| 222 | E | 94.3 | Very high | 96.2 | Very high | 121 Ų | 121 | 48.9 Ų | 48.9 | 57% | 0.565 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.4 | 175.8 | -65.3 | 177.2 | 177.7 | 0 | 0 | 112.6 | I230 H232 | E222-I230 WeakPolarHBondContact O-CD1 3.43Å; E222-H232 IonicContact OE1-CE1 3.51Å; E222-H232 PolarHBondContact OE1-CE1 3.45Å |
| 223 | L | 92.9 | Very high | 96.2 | Very high | 152 Ų | 152 | 49 Ų | 49 | 80% | 0.796 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 42.5 | 179.7 | -53.1 | 179.6 | 0 | 0 | 0 | 111.4 | N221 | N221-L223 VanDerWaalsContact ND2-C 3.27Å; N221-L223 PolarHBondContact ND2-O 2.82Å; N221-L223 PolarHBondContact O-N 3.44Å; N221-L223 PolarHBondContact OD1-N 2.84Å |
| 224 | D | 94.1 | Very high | 96.2 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | trans | -81 | 114.8 | 178.9 | -177.7 | 96.7 | 0 | 0 | 0 | 111.5 | R192 T219 N221 Q226 G227 H228 I230 | R192-D224 VanDerWaalsContact CZ-O 3.23Å; R192-D224 PolarHBondContact NH1-O 2.86Å; R192-D224 IonicContact NH1-OD2 3.39Å; R192-D224 PolarHBondContact NH1-OD2 3.02Å; R192-D224 VanDerWaalsContact NH1-OD2 3.09Å; R192-D224 PolarHBondContact NH2-O 2.86Å; T219-D224 HydrophobicContact CG2-CB 3.86Å; N221-D224 HydrophobicContact CB-CB 4.26Å; N221-D224 WeakPolarHBondContact ND2-CA 3.38Å; N221-D224 PolarHBondContact ND2-N 2.79Å; N221-D224 WeakPolarHBondContact O-CB 3.45Å; N221-D224 PolarHBondContact O-N 3.34Å; D224-Q226 PolarHBondContact OD2-N 3.21Å; D224-G227 PolarHBondContact OD2-N 3.29Å; D224-H228 IonicContact OD1-CE1 3.91Å; D224-H228 IonicContact OD1-CG 3.05Å; D224-H228 IonicContact OD1-ND1 3.84Å; D224-H228 PolarHBondContact OD1-ND1 3.01Å; D224-H228 WeakPolarHBondContact OD2-CB 3.14Å; D224-H228 IonicContact OD2-CG 3.8Å; D224-H228 PolarHBondContact OD2-N 2.73Å; D224-H228 IonicContact OD2-ND1 3.65Å; D224-I230 HydrophobicContact CB-CD1 4.4Å; D224-I230 HydrophobicContact CB-CG1 4.24Å | ||
| 225 | D | 92.9 | Very high | 96.3 | Very high | 134 Ų | 134 | 48.1 Ų | 48.1 | 72% | 0.717 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -86.2 | -14.9 | 178.6 | 64 | -22.7 | 0 | 0 | 0 | 113.5 | G227 | D225-G227 VanDerWaalsContact C-N 3.26Å; D225-G227 PolarHBondContact O-N 3.1Å |
| 226 | Q | 92.3 | Very high | 96.4 | Very high | 129 Ų | 129 | 45.3 Ų | 45.3 | 60% | 0.603 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -79.9 | 0.7 | -174.4 | -55.5 | -58.1 | -68.1 | 0 | 0 | 114.4 | D224 H228 | D224-Q226 PolarHBondContact OD2-N 3.21Å; Q226-H228 VanDerWaalsContact C-N 3.29Å; Q226-H228 WeakPolarHBondContact CB-CE1 3.24Å; Q226-H228 PolarHBondContact O-N 3.13Å |
| 227 | G | 91.2 | Very high | 96.4 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | trans | 70.2 | 20 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D224 D225 | D224-G227 PolarHBondContact OD2-N 3.29Å; D225-G227 VanDerWaalsContact C-N 3.26Å; D225-G227 PolarHBondContact O-N 3.1Å | ||
| 228 | H | 96.4 | Very high | 96.4 | Very high | 24 Ų | 24 | 43.9 Ų | 43.9 | 11% | 0.111 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 153 | 171.5 | -53.7 | 135 | 0 | 0 | 0 | 110.3 | A135 R192 K217 T219 D224 Q226 I230 | A135-H228 PolarHBondContact O-CE1 2.92Å; R192-H228 WeakPolarHBondContact CD-O 3.05Å; R192-H228 PolarHBondContact NH1-O 3.32Å; K217-H228 HydrophobicContact CB-CB 4.39Å; K217-H228 WeakPolarHBondContact CD-CD2 3.39Å; K217-H228 WeakPolarHBondContact CD-NE2 3.3Å; K217-H228 PolarHBondContact NZ-NE2 3.4Å; K217-H228 VanDerWaalsContact NZ-NE2 3.11Å; T219-H228 HydrophobicContact CG2-CB 3.79Å; D224-H228 IonicContact OD1-CE1 3.91Å; D224-H228 IonicContact OD1-CG 3.05Å; D224-H228 IonicContact OD1-ND1 3.84Å; D224-H228 PolarHBondContact OD1-ND1 3.01Å; D224-H228 WeakPolarHBondContact OD2-CB 3.14Å; D224-H228 IonicContact OD2-CG 3.8Å; D224-H228 PolarHBondContact OD2-N 2.73Å; D224-H228 IonicContact OD2-ND1 3.65Å; Q226-H228 VanDerWaalsContact C-N 3.29Å; Q226-H228 WeakPolarHBondContact CB-CE1 3.24Å; Q226-H228 PolarHBondContact O-N 3.13Å; H228-I230 PolarHBondContact O-N 2.91Å |
| 229 | I | 97.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 118.5 | 173.9 | -57.6 | -172.9 | 0 | 0 | 0 | 108.5 | I162 L216 K217 L218 T219 L231 | I162-I229 HydrophobicContact CB-CG2 4.31Å; I162-I229 HydrophobicContact CD1-CD1 3.9Å; I162-I229 HydrophobicContact CD1-CG2 4.21Å; I162-I229 HydrophobicContact CG1-CD1 3.97Å; I162-I229 HydrophobicContact CG1-CG2 4.47Å; L216-I229 HydrophobicContact CD1-CD1 4.07Å; L216-I229 HydrophobicContact CD2-CD1 4.16Å; L216-I229 HydrophobicContact CG-CD1 4.35Å; K217-I229 PolarHBondContact O-N 3.39Å; K217-I229 VanDerWaalsContact O-N 3.11Å; L218-I229 CarbonylContact C-O 3.54Å; L218-I229 WeakPolarHBondContact CA-O 3.42Å; L218-I229 HydrophobicContact CD2-CB 4.26Å; T219-I229 PolarHBondContact N-O 3.04Å; I229-L231 HydrophobicContact CG2-CD2 4.03Å; I229-L231 HydrophobicContact CG2-CG 4.22Å |
| 230 | I | 97.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 131.8 | 177.3 | -55.7 | 167.2 | 0 | 0 | 0 | 108.1 | V189 R192 T219 N221 E222 D224 H228 | V189-I230 HydrophobicContact CB-CG2 4.24Å; V189-I230 HydrophobicContact CG1-CG2 3.96Å; V189-I230 HydrophobicContact CG2-CB 4.5Å; V189-I230 HydrophobicContact CG2-CG2 4.45Å; R192-I230 VanDerWaalsContact CZ-CD1 3.43Å; T219-I230 HydrophobicContact CG2-CB 4.27Å; T219-I230 HydrophobicContact CG2-CG1 3.76Å; T219-I230 WeakPolarHBondContact O-CA 3.49Å; N221-I230 WeakPolarHBondContact O-CG1 3.49Å; E222-I230 WeakPolarHBondContact O-CD1 3.43Å; D224-I230 HydrophobicContact CB-CD1 4.4Å; D224-I230 HydrophobicContact CB-CG1 4.24Å; H228-I230 PolarHBondContact O-N 2.91Å |
| 231 | L | 97.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | trans | -139.5 | 148.4 | 173.5 | -56.9 | 173.6 | 0 | 0 | 0 | 110 | I132 I162 L218 T219 I229 Y237 F274 T276 | I132-L231 WeakPolarHBondContact CD1-O 3.45Å; I162-L231 HydrophobicContact CB-CD2 4.24Å; I162-L231 HydrophobicContact CD1-CD1 4.41Å; I162-L231 HydrophobicContact CG2-CD1 4.2Å; I162-L231 HydrophobicContact CG2-CD2 3.77Å; L218-L231 HydrophobicContact CB-CD1 4.37Å; L218-L231 HydrophobicContact CD1-CD1 4.01Å; L218-L231 HydrophobicContact CD2-CD1 3.94Å; L218-L231 HydrophobicContact CG-CD1 4.33Å; T219-L231 PolarHBondContact O-N 2.75Å; I229-L231 HydrophobicContact CG2-CD2 4.03Å; I229-L231 HydrophobicContact CG2-CG 4.22Å; L231-Y237 HydrophobicContact CB-CE2 3.93Å; L231-Y237 HydrophobicContact CD1-CD2 4.33Å; L231-Y237 HydrophobicContact CD1-CE2 4.47Å; L231-Y237 HydrophobicContact CD2-CD1 3.72Å; L231-Y237 HydrophobicContact CD2-CD2 4.31Å; L231-Y237 HydrophobicContact CD2-CE1 3.57Å; L231-Y237 HydrophobicContact CD2-CE2 4.13Å; L231-Y237 HydrophobicContact CD2-CG 4.1Å; L231-Y237 HydrophobicContact CG-CE2 4.41Å; L231-F274 HydrophobicContact CD1-CE2 4.08Å; L231-F274 HydrophobicContact CD1-CZ 4.13Å; L231-T276 HydrophobicContact CB-CG2 3.86Å; L231-T276 HydrophobicContact CD1-CG2 3.68Å; L231-T276 HydrophobicContact CG-CG2 4.43Å | ||
| 232 | H | 97.9 | Very high | 96.4 | Very high | 24 Ų | 24 | 41 Ų | 41 | 11% | 0.111 | 21% | 0.211 | C | C | . | . | trans | -75.8 | 150.2 | 170.2 | -72.5 | -40.4 | 0 | 0 | 0 | 110.7 | S187 E222 H235 Y237 T276 | S187-H232 PolarHBondContact O-CD2 3.3Å; S187-H232 PolarHBondContact O-NE2 3.24Å; E222-H232 IonicContact OE1-CE1 3.51Å; E222-H232 PolarHBondContact OE1-CE1 3.45Å; H232-H235 WeakPolarHBondContact CB-ND1 3.39Å; H232-Y237 PolarHBondContact N-OH 3.42Å; H232-T276 VanDerWaalsContact O-CB 3.23Å; H232-T276 WeakPolarHBondContact O-CB 3.45Å; H232-T276 PolarHBondContact O-OG1 3.31Å | ||
| 233 | S | 98.1 | Very high | 96.5 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 20% | 0.203 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 151.4 | 173.5 | -166.3 | 0 | 0 | 0 | 0 | 110.9 | H235 T278 | S233-H235 VanDerWaalsContact C-N 3.33Å; S233-H235 PolarHBondContact O-N 3.5Å; S233-H235 PolarHBondContact O-ND1 2.93Å; S233-T278 PolarHBondContact OG-N 2.91Å |
| 234 | M | 98.1 | Very high | 96.6 | Very high | 32 Ų | 32 | 28.2 Ų | 28.2 | 16% | 0.158 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 30.8 | 177.6 | -43.4 | -61.7 | -79.4 | 0 | 0 | 114.8 | Y170 W179 T276 V277 Q281 | Y170-M234 WeakPolarHBondContact CB-O 3.26Å; Y170-M234 PolarHBondContact N-O 3.45Å; Y170-M234 WeakPolarHBondContact O-CB 3.48Å; W179-M234 HydrophobicContact CH2-CE 3.92Å; W179-M234 HydrophobicContact CH2-SD 4.34Å; W179-M234 HydrophobicContact CZ3-CE 3.65Å; W179-M234 HydrophobicContact CZ3-SD 4.44Å; M234-T276 VanDerWaalsContact CA-O 3.31Å; M234-T276 WeakPolarHBondContact CA-O 3.41Å; M234-T276 PolarHBondContact N-O 3.49Å; M234-T276 PolarHBondContact N-OG1 2.9Å; M234-V277 HydrophobicContact SD-CG1 4.09Å; M234-Q281 HydrophobicContact CE-CG 4.37Å |
| 235 | H | 98.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 3% | 0.032 | 15% | 0.154 | C | C | . | . | trans | -123.4 | 155.2 | 177.7 | -70.4 | 81.3 | 0 | 0 | 0 | 110.8 | K168 A185 D186 H232 S233 Y237 T275 T276 | K168-H235 PolarHBondContact O-CD2 2.84Å; A185-H235 VanDerWaalsContact CA-NE2 3.26Å; A185-H235 WeakPolarHBondContact CA-NE2 3.43Å; A185-H235 WeakPolarHBondContact CB-NE2 3.48Å; D186-H235 PolarHBondContact N-NE2 2.86Å; D186-H235 VanDerWaalsContact N-NE2 3.11Å; D186-H235 IonicContact OD2-CE1 2.74Å; D186-H235 PolarHBondContact OD2-CE1 2.98Å; D186-H235 VanDerWaalsContact OD2-CE1 3.3Å; H232-H235 WeakPolarHBondContact CB-ND1 3.39Å; S233-H235 VanDerWaalsContact C-N 3.33Å; S233-H235 PolarHBondContact O-N 3.5Å; S233-H235 PolarHBondContact O-ND1 2.93Å; H235-Y237 HydrophobicContact CB-CD2 4.35Å; H235-Y237 HydrophobicContact CB-CE2 3.56Å; H235-T275 WeakPolarHBondContact O-CA 3.44Å; H235-T276 PolarHBondContact N-OG1 3.18Å; H235-T276 VanDerWaalsContact N-OG1 3.17Å; H235-T276 PolarHBondContact O-N 2.97Å; H235-T276 PolarHBondContact O-OG1 3.32Å; H235-T276 VanDerWaalsContact O-OG1 3.07Å | ||
| 236 | K | 98.2 | Very high | 96.2 | Very high | 56 Ų | 56 | 28.3 Ų | 28.3 | 24% | 0.243 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 136.5 | 179.6 | -73 | -179.6 | -177.6 | 169.5 | 0 | 111.6 | P164 V165 Y170 F274 | P164-K236 WeakPolarHBondContact CA-O 3.45Å; V165-K236 HydrophobicContact CB-CB 3.95Å; V165-K236 HydrophobicContact CG2-CB 4.27Å; V165-K236 PolarHBondContact N-O 3.11Å; Y170-K236 HydrophobicContact CD2-CD 4.45Å; Y170-K236 HydrophobicContact CD2-CG 4.18Å; Y170-K236 HydrophobicContact CE1-CD 4.39Å; Y170-K236 HydrophobicContact CE2-CB 4.45Å; Y170-K236 HydrophobicContact CE2-CD 3.7Å; Y170-K236 HydrophobicContact CE2-CG 3.81Å; Y170-K236 VanDerWaalsContact CZ-NZ 3.29Å; Y170-K236 WeakPolarHBondContact OH-CE 3.43Å; Y170-K236 PolarHBondContact OH-NZ 3.05Å; K236-F274 WeakPolarHBondContact CA-O 3.32Å |
| 237 | Y | 98.5 | Very high | 95.7 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 5% | 0.051 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 147.7 | -176.3 | -66.7 | -83.1 | 0 | 0 | 0 | 112.9 | I162 I163 P164 L231 H232 H235 V273 F274 T276 | I162-Y237 HydrophobicContact CG2-CD1 3.93Å; I162-Y237 HydrophobicContact CG2-CG 3.95Å; I163-Y237 CarbonylContact O-C 3.55Å; I163-Y237 VanDerWaalsContact O-CA 3.28Å; I163-Y237 WeakPolarHBondContact O-CA 3.35Å; P164-Y237 HydrophobicContact CB-CD1 4.3Å; P164-Y237 HydrophobicContact CB-CE1 4.13Å; L231-Y237 HydrophobicContact CB-CE2 3.93Å; L231-Y237 HydrophobicContact CD1-CD2 4.33Å; L231-Y237 HydrophobicContact CD1-CE2 4.47Å; L231-Y237 HydrophobicContact CD2-CD1 3.72Å; L231-Y237 HydrophobicContact CD2-CD2 4.31Å; L231-Y237 HydrophobicContact CD2-CE1 3.57Å; L231-Y237 HydrophobicContact CD2-CE2 4.13Å; L231-Y237 HydrophobicContact CD2-CG 4.1Å; L231-Y237 HydrophobicContact CG-CE2 4.41Å; H232-Y237 PolarHBondContact N-OH 3.42Å; H235-Y237 HydrophobicContact CB-CD2 4.35Å; H235-Y237 HydrophobicContact CB-CE2 3.56Å; Y237-V273 WeakPolarHBondContact O-CA 3.38Å; Y237-F274 HydrophobicContact CD2-CE2 4.49Å; Y237-F274 PolarHBondContact N-O 2.92Å; Y237-F274 PolarHBondContact O-N 2.9Å; Y237-T276 HydrophobicContact CD2-CG2 3.66Å; Y237-T276 HydrophobicContact CE2-CG2 3.68Å |
| 238 | Q | 98.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 30.4 Ų | 30.4 | 12% | 0.117 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 114.5 | 174.8 | 171.6 | 67.6 | 77.1 | 0 | 0 | 108.8 | I163 V165 R240 F269 T272 V273 | I163-Q238 HydrophobicContact CG1-CB 4.18Å; I163-Q238 PolarHBondContact N-O 2.93Å; I163-Q238 VanDerWaalsContact N-O 3.07Å; I163-Q238 PolarHBondContact O-N 3.22Å; V165-Q238 HydrophobicContact CG2-CB 3.9Å; Q238-R240 HydrophobicContact CG-CG 4.48Å; Q238-F269 PolarHBondContact NE2-O 2.81Å; Q238-T272 PolarHBondContact NE2-OG1 3.07Å; Q238-V273 HydrophobicContact CB-CG2 4.3Å |
| 239 | P | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 141.9 | 165.5 | -24.6 | 36.6 | 0 | 0 | 0 | 111.6 | M143 M160 D161 T272 F274 | M143-P239 HydrophobicContact CE-CB 4.15Å; M143-P239 HydrophobicContact SD-CB 4.49Å; M160-P239 HydrophobicContact CE-CB 4.09Å; M160-P239 HydrophobicContact SD-CB 4.42Å; D161-P239 WeakPolarHBondContact O-CA 3.44Å; P239-T272 WeakPolarHBondContact CD-O 3.26Å; P239-F274 HydrophobicContact CG-CD1 4.17Å; P239-F274 HydrophobicContact CG-CE1 3.75Å |
| 240 | R | 97.9 | Very high | 92 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 21% | 0.208 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.3 | 170.4 | -51.6 | -170.4 | -64.2 | 176.6 | 2.8 | 109.7 | M160 D161 I163 Q238 T266 F267 | M160-R240 VanDerWaalsContact CA-O 3.24Å; M160-R240 WeakPolarHBondContact CA-O 3.33Å; M160-R240 WeakPolarHBondContact CG-O 3.31Å; D161-R240 PolarHBondContact N-O 2.74Å; D161-R240 PolarHBondContact O-N 3.39Å; D161-R240 WeakPolarHBondContact OD1-CB 3.39Å; D161-R240 IonicContact OD1-CZ 2.64Å; D161-R240 IonicContact OD1-NE 3.94Å; D161-R240 PolarHBondContact OD1-NE 3.41Å; D161-R240 IonicContact OD1-NH2 3.39Å; D161-R240 PolarHBondContact OD1-NH2 2.93Å; D161-R240 IonicContact OD2-CZ 3.33Å; D161-R240 IonicContact OD2-NE 3.71Å; D161-R240 IonicContact OD2-NH2 3.59Å; D161-R240 PolarHBondContact OD2-NH2 3.21Å; I163-R240 HydrophobicContact CD1-CG 4.44Å; I163-R240 HydrophobicContact CG1-CG 4.27Å; Q238-R240 HydrophobicContact CG-CG 4.48Å; R240-T266 HydrophobicContact CB-CG2 4.1Å; R240-F267 CarbonylContact C-O 3.5Å; R240-F267 WeakPolarHBondContact CA-O 3.37Å |
| 241 | V | 98 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.8 | 174.2 | 178 | 0 | 0 | 0 | 0 | 108.3 | M143 V145 I158 M160 F213 F267 | M143-V241 HydrophobicContact CE-CG2 4.24Å; V145-V241 HydrophobicContact CG1-CG2 4.24Å; V145-V241 HydrophobicContact CG2-CG1 4.38Å; I158-V241 HydrophobicContact CG2-CG1 4.48Å; M160-V241 HydrophobicContact CG-CG2 4.21Å; F213-V241 HydrophobicContact CE2-CG1 4.26Å; F213-V241 HydrophobicContact CE2-CG2 3.95Å; F213-V241 HydrophobicContact CZ-CG1 4.19Å; F213-V241 HydrophobicContact CZ-CG2 4.42Å; V241-F267 PolarHBondContact N-O 2.68Å; V241-F267 PolarHBondContact O-N 3.46Å |
| 242 | H | 96.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.5 | -176.3 | -51.1 | -89.6 | 0 | 0 | 0 | 110 | I158 A159 D161 I244 I258 R265 T266 | I158-H242 WeakPolarHBondContact CA-O 3.1Å; A159-H242 HydrophobicContact CB-CB 4.48Å; A159-H242 PolarHBondContact N-O 3.09Å; A159-H242 PolarHBondContact O-N 3.3Å; D161-H242 VanDerWaalsContact CG-NE2 3.27Å; D161-H242 IonicContact OD1-NE2 3.19Å; D161-H242 PolarHBondContact OD1-NE2 3.2Å; D161-H242 IonicContact OD2-CE1 2.81Å; D161-H242 IonicContact OD2-NE2 3.41Å; H242-I244 HydrophobicContact CB-CD1 3.66Å; H242-I244 HydrophobicContact CB-CG1 4.36Å; H242-I258 HydrophobicContact CB-CD1 4.34Å; H242-I258 HydrophobicContact CB-CG2 4.35Å; H242-R265 WeakPolarHBondContact CA-O 3.46Å; H242-T266 VanDerWaalsContact CE1-CG2 3.43Å; H242-T266 WeakPolarHBondContact CE1-CG2 3.25Å; H242-T266 WeakPolarHBondContact ND1-CG2 3.39Å; H242-T266 PolarHBondContact ND1-OG1 3.26Å |
| 243 | V | 95.9 | Very high | 88.7 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 109.9 | 170 | -178.9 | 0 | 0 | 0 | 0 | 106.3 | V112 I147 L150 Y156 I158 R265 F267 | V112-V243 HydrophobicContact CG2-CG2 4.22Å; I147-V243 HydrophobicContact CD1-CG2 4.45Å; L150-V243 HydrophobicContact CD2-CG1 3.77Å; Y156-V243 HydrophobicContact CD1-CG1 3.88Å; Y156-V243 HydrophobicContact CE1-CG1 4.47Å; Y156-V243 HydrophobicContact CG-CG1 4.45Å; I158-V243 HydrophobicContact CD1-CB 4.16Å; I158-V243 HydrophobicContact CD1-CG1 4.04Å; I158-V243 HydrophobicContact CD1-CG2 3.81Å; V243-R265 HydrophobicContact CB-CB 4.46Å; V243-R265 PolarHBondContact N-O 3.25Å; V243-R265 PolarHBondContact O-N 2.9Å; V243-F267 HydrophobicContact CB-CE2 4.36Å; V243-F267 HydrophobicContact CG2-CD2 4.28Å; V243-F267 HydrophobicContact CG2-CE2 3.77Å |
| 244 | I | 94.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.9 | -178.9 | -50.6 | 98.1 | 0 | 0 | 0 | 109.4 | Y156 Y157 A159 H242 F248 L252 I258 T264 | Y156-I244 CarbonylContact C-O 3.56Å; Y156-I244 VanDerWaalsContact CA-O 3.3Å; Y156-I244 WeakPolarHBondContact CA-O 3.32Å; Y157-I244 PolarHBondContact N-O 3.47Å; Y157-I244 PolarHBondContact O-N 3.24Å; A159-I244 HydrophobicContact CB-CD1 4.06Å; H242-I244 HydrophobicContact CB-CD1 3.66Å; H242-I244 HydrophobicContact CB-CG1 4.36Å; I244-F248 HydrophobicContact CG2-CB 4.33Å; I244-L252 HydrophobicContact CB-CD1 4.05Å; I244-L252 HydrophobicContact CD1-CD1 4.19Å; I244-L252 HydrophobicContact CD1-CD2 3.92Å; I244-L252 HydrophobicContact CG1-CD1 4.34Å; I244-L252 HydrophobicContact CG1-CD2 4.09Å; I244-L252 HydrophobicContact CG2-CD1 4.03Å; I244-L252 HydrophobicContact CG2-CG 4.47Å; I244-I258 HydrophobicContact CD1-CD1 4.43Å; I244-T264 HydrophobicContact CG1-CG2 4.12Å |
| 245 | H | 91.9 | Very high | 87 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 18% | 0.181 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 135.9 | 174.5 | -168.5 | -115.1 | 0 | 0 | 0 | 110.8 | Q154 Y156 E247 F248 G249 G263 | Q154-H245 WeakPolarHBondContact CG-NE2 3.33Å; Q154-H245 PolarHBondContact NE2-CE1 3.06Å; Q154-H245 PolarHBondContact NE2-NE2 3.49Å; Y156-H245 AromaticContact CE1-CD2 3.74Å; H245-E247 VanDerWaalsContact C-N 3.29Å; H245-E247 IonicContact CE1-OE1 3.3Å; H245-E247 IonicContact CE1-OE2 3.78Å; H245-E247 PolarHBondContact CE1-OE2 3.25Å; H245-E247 IonicContact ND1-OE2 3.67Å; H245-E247 PolarHBondContact ND1-OE2 2.82Å; H245-E247 PolarHBondContact O-N 2.94Å; H245-E247 VanDerWaalsContact O-N 3.14Å; H245-F248 HydrophobicContact CB-CD2 3.85Å; H245-F248 HydrophobicContact CB-CE2 4.46Å; H245-F248 AromaticContact ND1-CD2 3.6Å; H245-F248 AromaticContact ND1-CE2 3.58Å; H245-F248 CarbonylContact O-C 3.55Å; H245-F248 PolarHBondContact O-N 3.17Å; H245-G249 PolarHBondContact O-N 3.3Å; H245-G263 WeakPolarHBondContact CB-O 3.35Å; H245-G263 PolarHBondContact N-O 2.91Å |
| 246 | K | 87.9 | Confident | 86.2 | Confident | 103 Ų | 103 | 56.4 Ų | 56.4 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -55 | -38.8 | -168.6 | 178.7 | -175.9 | 171.9 | -169.8 | 0 | 114.2 | Q155 Y157 F248 G249 | Q155-K246 HydrophobicContact CB-CB 3.59Å; Q155-K246 HydrophobicContact CB-CD 3.59Å; Q155-K246 HydrophobicContact CB-CG 4.16Å; Q155-K246 HydrophobicContact CG-CD 4.04Å; Q155-K246 VanDerWaalsContact O-CB 3.32Å; Q155-K246 WeakPolarHBondContact O-CB 3.3Å; Q155-K246 PolarHBondContact O-N 3.23Å; Y157-K246 HydrophobicContact CE2-CB 4.29Å; Y157-K246 HydrophobicContact CE2-CG 4Å; K246-F248 PolarHBondContact O-N 2.83Å; K246-G249 WeakPolarHBondContact O-CA 3.38Å; K246-G249 PolarHBondContact O-N 2.89Å |
| 247 | E | 81.8 | Confident | 85.4 | Confident | 129 Ų | 129 | 56.6 Ų | 56.6 | 60% | 0.603 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -62.1 | -25.2 | 178.6 | -71.4 | 140.1 | -142.8 | 0 | 0 | 113.5 | Q154 H245 G249 | Q154-E247 PolarHBondContact NE2-OE1 3.31Å; H245-E247 VanDerWaalsContact C-N 3.29Å; H245-E247 IonicContact CE1-OE1 3.3Å; H245-E247 IonicContact CE1-OE2 3.78Å; H245-E247 PolarHBondContact CE1-OE2 3.25Å; H245-E247 IonicContact ND1-OE2 3.67Å; H245-E247 PolarHBondContact ND1-OE2 2.82Å; H245-E247 PolarHBondContact O-N 2.94Å; H245-E247 VanDerWaalsContact O-N 3.14Å; E247-G249 VanDerWaalsContact C-N 3.35Å |
| 248 | F | 74.4 | Confident | 84.6 | Confident | 83 Ų | 83 | 56.5 Ų | 56.5 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -98.4 | 8.1 | 175.5 | -55.6 | -99.1 | 0 | 0 | 0 | 111.1 | I244 H245 K246 E262 | I244-F248 HydrophobicContact CG2-CB 4.33Å; H245-F248 HydrophobicContact CB-CD2 3.85Å; H245-F248 HydrophobicContact CB-CE2 4.46Å; H245-F248 AromaticContact ND1-CD2 3.6Å; H245-F248 AromaticContact ND1-CE2 3.58Å; H245-F248 CarbonylContact O-C 3.55Å; H245-F248 PolarHBondContact O-N 3.17Å; K246-F248 PolarHBondContact O-N 2.83Å; F248-E262 WeakPolarHBondContact CD1-O 3.29Å; F248-E262 HydrophobicContact CE1-CB 4.21Å; F248-E262 WeakPolarHBondContact CE1-O 3.39Å; F248-E262 HydrophobicContact CZ-CG 4.45Å |
| 249 | G | 65.3 | Low | 83.6 | Confident | 5 Ų | 5 | 56 Ų | 56 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | trans | -86.8 | -10.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | H245 K246 E247 E251 L252 | H245-G249 PolarHBondContact O-N 3.3Å; K246-G249 WeakPolarHBondContact O-CA 3.38Å; K246-G249 PolarHBondContact O-N 2.89Å; E247-G249 VanDerWaalsContact C-N 3.35Å; G249-E251 PolarHBondContact O-N 3.06Å; G249-L252 VanDerWaalsContact O-CB 3.26Å; G249-L252 WeakPolarHBondContact O-CB 3.4Å; G249-L252 PolarHBondContact O-N 3.04Å | ||
| 250 | E | 66.4 | Low | 82.4 | Confident | 193 Ų | 193 | 64.3 Ų | 64.3 | 90% | 0.902 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.6 | -176.6 | -60.6 | -158.3 | 148.1 | 0 | 0 | 113.8 | ||
| 251 | E | 66.9 | Low | 81.1 | Confident | 113 Ų | 113 | 64.1 Ų | 64.1 | 53% | 0.528 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -14.3 | 172.9 | -171.9 | 172.5 | -149.7 | 0 | 0 | 113.1 | G249 S253 P259 | G249-E251 PolarHBondContact O-N 3.06Å; E251-S253 PolarHBondContact O-N 3.22Å; E251-P259 HydrophobicContact CB-CG 3.74Å; E251-P259 HydrophobicContact CG-CG 3.92Å |
| 252 | L | 77.4 | Confident | 79.9 | Confident | 25 Ų | 25 | 72.2 Ų | 72.2 | 13% | 0.131 | 37% | 0.374 | C | S | . | . | trans | -63.5 | 120.3 | -179.3 | -68.4 | 170.4 | 0 | 0 | 0 | 111.3 | Y157 I244 G249 I258 P259 | Y157-L252 HydrophobicContact CD1-CD1 4.09Å; Y157-L252 HydrophobicContact CD2-CD1 3.75Å; Y157-L252 HydrophobicContact CE2-CD1 4.43Å; Y157-L252 HydrophobicContact CG-CD1 3.57Å; I244-L252 HydrophobicContact CB-CD1 4.05Å; I244-L252 HydrophobicContact CD1-CD1 4.19Å; I244-L252 HydrophobicContact CD1-CD2 3.92Å; I244-L252 HydrophobicContact CG1-CD1 4.34Å; I244-L252 HydrophobicContact CG1-CD2 4.09Å; I244-L252 HydrophobicContact CG2-CD1 4.03Å; I244-L252 HydrophobicContact CG2-CG 4.47Å; G249-L252 VanDerWaalsContact O-CB 3.26Å; G249-L252 WeakPolarHBondContact O-CB 3.4Å; G249-L252 PolarHBondContact O-N 3.04Å; L252-I258 HydrophobicContact CD2-CD1 4.12Å; L252-P259 HydrophobicContact CD2-CG 4.24Å | ||
| 253 | S | 79.7 | Confident | 79.1 | Confident | 34 Ų | 34 | 73.5 Ų | 73.5 | 24% | 0.238 | 39% | 0.387 | C | S | . | . | trans | -144.8 | 145.6 | 170.1 | 51.9 | 0 | 0 | 0 | 0 | 110.8 | E251 V255 R256 | E251-S253 PolarHBondContact O-N 3.22Å; S253-V255 PolarHBondContact O-N 3.49Å; S253-R256 PolarHBondContact O-N 2.79Å; S253-R256 WeakPolarHBondContact OG-CB 3.33Å; S253-R256 WeakPolarHBondContact OG-CD 3.46Å; S253-R256 VanDerWaalsContact OG-CG 3.27Å; S253-R256 WeakPolarHBondContact OG-CG 3.35Å | ||
| 254 | P | 80.8 | Confident | 78.9 | Confident | 64 Ų | 64 | 74.4 Ų | 74.4 | 42% | 0.416 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -9.2 | -175.9 | -26.5 | 35.9 | 0 | 0 | 0 | 116.1 | R192 V193 I195 | R192-P254 WeakPolarHBondContact CA-O 3.47Å; V193-P254 PolarHBondContact N-O 2.97Å; I195-P254 HydrophobicContact CD1-CG 4.28Å |
| 255 | V | 80.1 | Confident | 78.8 | Confident | 94 Ų | 94 | 79.7 Ų | 79.7 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | 15.5 | -173 | -153.3 | 0 | 0 | 0 | 0 | 112 | P191 S253 | P191-V255 CarbonylContact O-C 3.59Å; S253-V255 PolarHBondContact O-N 3.49Å |
| 256 | R | 81.1 | Confident | 79 | Confident | 149 Ų | 149 | 81 Ų | 81 | 56% | 0.562 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -120.8 | 169.5 | 168 | -68.1 | -176.1 | -175.7 | 171.5 | 1 | 109.5 | V193 S253 | V193-R256 WeakPolarHBondContact CG2-O 3.4Å; S253-R256 PolarHBondContact O-N 2.79Å; S253-R256 WeakPolarHBondContact OG-CB 3.33Å; S253-R256 WeakPolarHBondContact OG-CD 3.46Å; S253-R256 VanDerWaalsContact OG-CG 3.27Å; S253-R256 WeakPolarHBondContact OG-CG 3.35Å |
| 257 | A | 81.3 | Confident | 79.5 | Confident | 61 Ų | 61 | 78.2 Ų | 78.2 | 50% | 0.504 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 159.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P191 | P191-A257 HydrophobicContact CB-CB 4.38Š|
| 258 | I | 82.8 | Confident | 80.3 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 5% | 0.051 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 133.3 | 169.9 | -64 | -71.4 | 0 | 0 | 0 | 109.5 | A159 D161 V193 H242 I244 L252 M260 T264 | A159-I258 HydrophobicContact CB-CD1 3.99Å; D161-I258 HydrophobicContact CB-CG1 4.49Å; V193-I258 HydrophobicContact CB-CD1 4.26Å; V193-I258 HydrophobicContact CG1-CD1 3.53Å; V193-I258 HydrophobicContact CG2-CD1 3.64Å; V193-I258 HydrophobicContact CG2-CG1 3.79Å; H242-I258 HydrophobicContact CB-CD1 4.34Å; H242-I258 HydrophobicContact CB-CG2 4.35Å; I244-I258 HydrophobicContact CD1-CD1 4.43Å; L252-I258 HydrophobicContact CD2-CD1 4.12Å; I258-M260 PolarHBondContact O-N 2.86Å; I258-T264 HydrophobicContact CG2-CG2 3.82Å |
| 259 | P | 77.1 | Confident | 81.4 | Confident | 16 Ų | 16 | 72.7 Ų | 72.7 | 10% | 0.104 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 123.6 | 172.8 | -26.8 | 36.1 | 0 | 0 | 0 | 111.9 | E251 L252 T264 | E251-P259 HydrophobicContact CB-CG 3.74Å; E251-P259 HydrophobicContact CG-CG 3.92Å; L252-P259 HydrophobicContact CD2-CG 4.24Å; P259-T264 WeakPolarHBondContact O-CB 3.31Å; P259-T264 WeakPolarHBondContact O-CG2 3.4Å; P259-T264 PolarHBondContact O-OG1 3.07Å |
| 260 | M | 71.9 | Confident | 83 | Confident | 174 Ų | 174 | 76.7 Ų | 76.7 | 86% | 0.857 | 42% | 0.419 | S | S | * | . | trans | -101.7 | 109.1 | 179.6 | -67.6 | -172.7 | 63.6 | 0 | 0 | 109.9 | I258 | I258-M260 PolarHBondContact O-N 2.86Š| ||
| 261 | G | 71.4 | Confident | 84.5 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 53% | 0.526 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 171.6 | -164.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | T264 | G261-T264 PolarHBondContact O-N 2.94Š|
| 262 | E | 72.6 | Confident | 86 | Confident | 170 Ų | 170 | 63.8 Ų | 63.8 | 79% | 0.794 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 146.6 | 171.2 | -163.6 | 157.4 | -147.8 | 0 | 0 | 110.6 | F248 T264 | F248-E262 WeakPolarHBondContact CD1-O 3.29Å; F248-E262 HydrophobicContact CE1-CB 4.21Å; F248-E262 WeakPolarHBondContact CE1-O 3.39Å; F248-E262 HydrophobicContact CZ-CG 4.45Å; E262-T264 VanDerWaalsContact C-N 3.31Å; E262-T264 PolarHBondContact O-N 2.86Å |
| 263 | G | 81.3 | Confident | 87 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -16.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | H245 | H245-G263 WeakPolarHBondContact CB-O 3.35Å; H245-G263 PolarHBondContact N-O 2.91Å |
| 264 | T | 90.7 | Very high | 87.9 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 14% | 0.135 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.9 | 174.5 | -67.8 | 0 | 0 | 0 | 0 | 112 | I244 I258 P259 G261 E262 | I244-T264 HydrophobicContact CG1-CG2 4.12Å; I258-T264 HydrophobicContact CG2-CG2 3.82Å; P259-T264 WeakPolarHBondContact O-CB 3.31Å; P259-T264 WeakPolarHBondContact O-CG2 3.4Å; P259-T264 PolarHBondContact O-OG1 3.07Å; G261-T264 PolarHBondContact O-N 2.94Å; E262-T264 VanDerWaalsContact C-N 3.31Å; E262-T264 PolarHBondContact O-N 2.86Å |
| 265 | R | 93.1 | Very high | 88.7 | Confident | 110 Ų | 110 | 59.9 Ų | 59.9 | 42% | 0.415 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.7 | 169.3 | -57.6 | -172.6 | -130.1 | -152 | 5.7 | 110.5 | T110 H242 V243 F267 | T110-R265 PolarHBondContact OG1-NE 3.31Å; T110-R265 PolarHBondContact OG1-NH1 3.14Å; T110-R265 PolarHBondContact OG1-NH2 2.87Å; T110-R265 VanDerWaalsContact OG1-NH2 3.1Å; H242-R265 WeakPolarHBondContact CA-O 3.46Å; V243-R265 HydrophobicContact CB-CB 4.46Å; V243-R265 PolarHBondContact N-O 3.25Å; V243-R265 PolarHBondContact O-N 2.9Å; R265-F267 HydrophobicContact CB-CE2 3.65Å; R265-F267 HydrophobicContact CB-CZ 3.93Å |
| 266 | T | 96 | Very high | 89.6 | Confident | 67 Ų | 67 | 55.4 Ų | 55.4 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.8 | -175.2 | -63 | 0 | 0 | 0 | 0 | 111 | R240 H242 | R240-T266 HydrophobicContact CB-CG2 4.1Å; H242-T266 VanDerWaalsContact CE1-CG2 3.43Å; H242-T266 WeakPolarHBondContact CE1-CG2 3.25Å; H242-T266 WeakPolarHBondContact ND1-CG2 3.39Å; H242-T266 PolarHBondContact ND1-OG1 3.26Å |
| 267 | F | 97.4 | Very high | 90.5 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.6 | -175.3 | -56.4 | -92.4 | 0 | 0 | 0 | 110.2 | T110 V112 R240 V241 V243 R265 | T110-F267 HydrophobicContact CG2-CZ 4.23Å; T110-F267 WeakPolarHBondContact O-CZ 3.46Å; V112-F267 HydrophobicContact CB-CB 4.26Å; V112-F267 HydrophobicContact CB-CD1 3.91Å; V112-F267 HydrophobicContact CB-CD2 4.13Å; V112-F267 HydrophobicContact CB-CE1 4.27Å; V112-F267 HydrophobicContact CB-CE2 4.48Å; V112-F267 HydrophobicContact CB-CG 3.83Å; V112-F267 HydrophobicContact CG2-CD1 3.91Å; V112-F267 HydrophobicContact CG2-CD2 3.5Å; V112-F267 HydrophobicContact CG2-CE1 3.9Å; V112-F267 HydrophobicContact CG2-CE2 3.5Å; V112-F267 VanDerWaalsContact CG2-CE2 3.5Å; V112-F267 HydrophobicContact CG2-CG 3.72Å; V112-F267 HydrophobicContact CG2-CZ 3.7Å; R240-F267 CarbonylContact C-O 3.5Å; R240-F267 WeakPolarHBondContact CA-O 3.37Å; V241-F267 PolarHBondContact N-O 2.68Å; V241-F267 PolarHBondContact O-N 3.46Å; V243-F267 HydrophobicContact CB-CE2 4.36Å; V243-F267 HydrophobicContact CG2-CD2 4.28Å; V243-F267 HydrophobicContact CG2-CE2 3.77Å; R265-F267 HydrophobicContact CB-CE2 3.65Å; R265-F267 HydrophobicContact CB-CZ 3.93Å |
| 268 | S | 97.6 | Very high | 91.3 | Very high | 69 Ų | 69 | 49.6 Ų | 49.6 | 48% | 0.483 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 150.1 | 176 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 269 | F | 98.3 | Very high | 92 | Very high | 28 Ų | 28 | 51.2 Ų | 51.2 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | trans | -125.6 | 112.1 | -177.2 | -59.3 | -77.1 | 0 | 0 | 0 | 109 | V112 L114 M143 V145 Q238 E271 T272 | V112-F269 HydrophobicContact CB-CZ 4.49Å; V112-F269 HydrophobicContact CG1-CE2 4.47Å; V112-F269 HydrophobicContact CG1-CZ 4.08Å; V112-F269 WeakPolarHBondContact O-CZ 3.37Å; L114-F269 HydrophobicContact CB-CD1 3.74Å; L114-F269 HydrophobicContact CB-CD2 4.23Å; L114-F269 HydrophobicContact CB-CE1 3.79Å; L114-F269 HydrophobicContact CB-CE2 4.27Å; L114-F269 HydrophobicContact CB-CG 3.96Å; L114-F269 HydrophobicContact CB-CZ 4.06Å; L114-F269 HydrophobicContact CD1-CD2 4.33Å; L114-F269 HydrophobicContact CD2-CB 4Å; L114-F269 HydrophobicContact CD2-CD1 4.44Å; L114-F269 HydrophobicContact CD2-CG 4.12Å; L114-F269 HydrophobicContact CG-CG 4.45Å; M143-F269 HydrophobicContact CE-CD2 4.11Å; V145-F269 HydrophobicContact CG1-CE2 4.08Å; V145-F269 HydrophobicContact CG1-CZ 4.47Å; Q238-F269 PolarHBondContact NE2-O 2.81Å; F269-E271 VanDerWaalsContact C-N 3.26Å; F269-E271 PolarHBondContact O-N 2.92Å; F269-T272 HydrophobicContact CB-CG2 3.7Å; F269-T272 WeakPolarHBondContact O-CB 3.21Å; F269-T272 PolarHBondContact O-N 3.37Å; F269-T272 PolarHBondContact O-OG1 2.91Å | ||
| 270 | P | 98.2 | Very high | 93 | Very high | 88 Ų | 88 | 53.3 Ų | 53.3 | 57% | 0.571 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -58 | -33.7 | -174.6 | -27.6 | 35.8 | 0 | 0 | 0 | 114.2 | H124 T272 V273 | H124-P270 PolarHBondContact CE1-O 3.14Å; H124-P270 PolarHBondContact ND1-O 2.96Å; P270-T272 PolarHBondContact O-N 3.02Å; P270-T272 VanDerWaalsContact O-N 3.13Å; P270-V273 WeakPolarHBondContact O-CG2 3.42Å; P270-V273 PolarHBondContact O-N 3.25Å |
| 271 | E | 98.2 | Very high | 94.3 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -66.4 | -13.6 | 176.6 | 65 | -94.8 | -110.3 | 0 | 0 | 113.6 | L114 W120 K121 H124 F269 | L114-E271 HydrophobicContact CD2-CG 3.79Å; W120-E271 HydrophobicContact CB-CB 4.39Å; W120-E271 HydrophobicContact CB-CG 3.83Å; K121-E271 WeakPolarHBondContact CE-OE1 3.35Å; K121-E271 HydrophobicContact CG-CB 3.94Å; K121-E271 HydrophobicContact CG-CG 4.13Å; H124-E271 HydrophobicContact CB-CB 4.25Å; H124-E271 WeakPolarHBondContact ND1-CA 3.49Å; H124-E271 PolarHBondContact ND1-O 3.29Å; F269-E271 VanDerWaalsContact C-N 3.26Å; F269-E271 PolarHBondContact O-N 2.92Å |
| 272 | T | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -90.1 | -3.1 | 179.8 | 68.5 | 0 | 0 | 0 | 0 | 114 | L114 W120 M143 Q238 P239 F269 P270 F274 | L114-T272 HydrophobicContact CD1-CG2 4.09Å; L114-T272 HydrophobicContact CD2-CG2 3.56Å; W120-T272 HydrophobicContact CD2-CG2 3.86Å; W120-T272 HydrophobicContact CE3-CG2 3.98Å; W120-T272 HydrophobicContact CG-CG2 4.2Å; W120-T272 HydrophobicContact CZ3-CG2 4.35Å; M143-T272 HydrophobicContact CE-CG2 4.04Å; M143-T272 HydrophobicContact SD-CG2 3.6Å; M143-T272 VanDerWaalsContact SD-CG2 3.6Å; Q238-T272 PolarHBondContact NE2-OG1 3.07Å; P239-T272 WeakPolarHBondContact CD-O 3.26Å; F269-T272 HydrophobicContact CB-CG2 3.7Å; F269-T272 WeakPolarHBondContact O-CB 3.21Å; F269-T272 PolarHBondContact O-N 3.37Å; F269-T272 PolarHBondContact O-OG1 2.91Å; P270-T272 PolarHBondContact O-N 3.02Å; P270-T272 VanDerWaalsContact O-N 3.13Å; T272-F274 WeakPolarHBondContact O-CD1 3.42Å; T272-F274 PolarHBondContact O-N 3.08Å |
| 273 | V | 98.7 | Very high | 96.7 | Very high | 32 Ų | 32 | 41 Ų | 41 | 19% | 0.194 | 23% | 0.229 | C | C | . | . | trans | -56.9 | 134.4 | 170.8 | 172.5 | 0 | 0 | 0 | 0 | 110.3 | T128 V165 Y237 Q238 P270 | T128-V273 WeakPolarHBondContact CB-O 3.44Å; T128-V273 PolarHBondContact OG1-O 3.25Å; V165-V273 HydrophobicContact CG2-CG1 4.1Å; V165-V273 HydrophobicContact CG2-CG2 4.36Å; Y237-V273 WeakPolarHBondContact O-CA 3.38Å; Q238-V273 HydrophobicContact CB-CG2 4.3Å; P270-V273 WeakPolarHBondContact O-CG2 3.42Å; P270-V273 PolarHBondContact O-N 3.25Å | ||
| 274 | F | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.009 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 160.3 | 176.8 | 64.3 | -106 | 0 | 0 | 0 | 113.4 | T128 M130 M139 I162 L218 L231 K236 Y237 P239 T272 T276 | T128-F274 HydrophobicContact CG2-CB 3.65Å; T128-F274 CarbonylContact O-C 3.52Å; T128-F274 VanDerWaalsContact O-CA 3.25Å; T128-F274 WeakPolarHBondContact O-CA 3.46Å; T128-F274 WeakPolarHBondContact O-CB 3.07Å; M130-F274 HydrophobicContact CB-CD2 3.66Å; M130-F274 HydrophobicContact CB-CE2 3.81Å; M130-F274 HydrophobicContact CB-CG 4.12Å; M130-F274 HydrophobicContact CB-CZ 4.38Å; M130-F274 HydrophobicContact CE-CD1 4.22Å; M130-F274 HydrophobicContact CG-CB 3.88Å; M130-F274 HydrophobicContact CG-CD1 3.69Å; M130-F274 HydrophobicContact CG-CD2 3.51Å; M130-F274 HydrophobicContact CG-CE1 4Å; M130-F274 HydrophobicContact CG-CE2 3.86Å; M130-F274 HydrophobicContact CG-CG 3.43Å; M130-F274 VanDerWaalsContact CG-CG 3.43Å; M130-F274 HydrophobicContact CG-CZ 4.09Å; M139-F274 HydrophobicContact SD-CE1 4.32Å; I162-F274 HydrophobicContact CD1-CZ 4.25Å; I162-F274 HydrophobicContact CG2-CZ 4.3Å; L218-F274 HydrophobicContact CD1-CE2 4.08Å; L218-F274 HydrophobicContact CD1-CZ 3.77Å; L231-F274 HydrophobicContact CD1-CE2 4.08Å; L231-F274 HydrophobicContact CD1-CZ 4.13Å; K236-F274 WeakPolarHBondContact CA-O 3.32Å; Y237-F274 HydrophobicContact CD2-CE2 4.49Å; Y237-F274 PolarHBondContact N-O 2.92Å; Y237-F274 PolarHBondContact O-N 2.9Å; P239-F274 HydrophobicContact CG-CD1 4.17Å; P239-F274 HydrophobicContact CG-CE1 3.75Å; T272-F274 WeakPolarHBondContact O-CD1 3.42Å; T272-F274 PolarHBondContact O-N 3.08Å; F274-T276 HydrophobicContact CD2-CG2 4.36Å; F274-T276 HydrophobicContact CE2-CG2 3.84Å |
| 275 | T | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 132.3 | 166.6 | -48.9 | 0 | 0 | 0 | 0 | 109.5 | T128 E129 M130 W179 H235 | T128-T275 PolarHBondContact O-N 2.88Å; E129-T275 CarbonylContact C-O 3.59Å; E129-T275 VanDerWaalsContact CA-O 3.31Å; E129-T275 WeakPolarHBondContact CA-O 3.38Å; M130-T275 PolarHBondContact N-O 3.3Å; W179-T275 HydrophobicContact CE3-CG2 4.39Å; W179-T275 HydrophobicContact CH2-CG2 3.66Å; W179-T275 HydrophobicContact CZ2-CG2 3.99Å; W179-T275 HydrophobicContact CZ3-CG2 3.88Å; H235-T275 WeakPolarHBondContact O-CA 3.44Å |
| 276 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 142.7 | 172.5 | 43.1 | 0 | 0 | 0 | 0 | 111.7 | I132 L231 H232 M234 H235 Y237 F274 | I132-T276 HydrophobicContact CD1-CG2 4.48Å; I132-T276 HydrophobicContact CG2-CG2 3.9Å; L231-T276 HydrophobicContact CB-CG2 3.86Å; L231-T276 HydrophobicContact CD1-CG2 3.68Å; L231-T276 HydrophobicContact CG-CG2 4.43Å; H232-T276 VanDerWaalsContact O-CB 3.23Å; H232-T276 WeakPolarHBondContact O-CB 3.45Å; H232-T276 PolarHBondContact O-OG1 3.31Å; M234-T276 VanDerWaalsContact CA-O 3.31Å; M234-T276 WeakPolarHBondContact CA-O 3.41Å; M234-T276 PolarHBondContact N-O 3.49Å; M234-T276 PolarHBondContact N-OG1 2.9Å; H235-T276 PolarHBondContact N-OG1 3.18Å; H235-T276 VanDerWaalsContact N-OG1 3.17Å; H235-T276 PolarHBondContact O-N 2.97Å; H235-T276 PolarHBondContact O-OG1 3.32Å; H235-T276 VanDerWaalsContact O-OG1 3.07Å; Y237-T276 HydrophobicContact CD2-CG2 3.66Å; Y237-T276 HydrophobicContact CE2-CG2 3.68Å; F274-T276 HydrophobicContact CD2-CG2 4.36Å; F274-T276 HydrophobicContact CE2-CG2 3.84Å |
| 277 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 153.5 | 176.6 | -66 | 0 | 0 | 0 | 0 | 110.7 | E129 M130 I131 I132 W179 M234 A279 Y280 Q281 | E129-V277 HydrophobicContact CB-CG2 4.02Å; E129-V277 HydrophobicContact CG-CG1 4.45Å; M130-V277 PolarHBondContact O-N 3.35Å; I131-V277 CarbonylContact C-O 3.57Å; I131-V277 VanDerWaalsContact CA-O 3.26Å; I131-V277 WeakPolarHBondContact CA-O 3.33Å; I131-V277 HydrophobicContact CD1-CG2 4Å; I132-V277 PolarHBondContact N-O 2.69Å; W179-V277 HydrophobicContact CH2-CG1 3.86Å; W179-V277 HydrophobicContact CZ2-CG1 4.26Å; M234-V277 HydrophobicContact SD-CG1 4.09Å; V277-A279 WeakPolarHBondContact CB-O 3.41Å; V277-Y280 HydrophobicContact CG2-CD1 4.21Å; V277-Q281 HydrophobicContact CG1-CG 3.98Å |
| 278 | T | 98.4 | Very high | 98.1 | Very high | 87 Ų | 87 | 43.3 Ų | 43.3 | 53% | 0.534 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -85.9 | -26.8 | 168.9 | 46.4 | 0 | 0 | 0 | 0 | 112.4 | I132 S233 | I132-T278 HydrophobicContact CG1-CG2 4.43Å; S233-T278 PolarHBondContact OG-N 2.91Å |
| 279 | A | 98.2 | Very high | 98.1 | Very high | 45 Ų | 45 | 40.4 Ų | 40.4 | 37% | 0.372 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -145 | 145.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V277 Q281 | V277-A279 WeakPolarHBondContact CB-O 3.41Å; A279-Q281 PolarHBondContact O-N 2.74Å; A279-Q281 PolarHBondContact O-NE2 3.05Å |
| 280 | Y | 98.5 | Very high | 98 | Very high | 60 Ų | 60 | 41 Ų | 41 | 24% | 0.235 | 21% | 0.21 | C | C | . | . | trans | -60.3 | 137.9 | -176.5 | -65.4 | -59.3 | 0 | 0 | 0 | 112.3 | E129 I131 V277 I285 T286 K289 | E129-Y280 HydrophobicContact CB-CD1 3.93Å; E129-Y280 HydrophobicContact CB-CE1 4.24Å; E129-Y280 WeakPolarHBondContact OE2-CA 3.34Å; I131-Y280 HydrophobicContact CD1-CD1 4.05Å; I131-Y280 HydrophobicContact CD1-CD2 4.15Å; I131-Y280 HydrophobicContact CD1-CE1 4.03Å; I131-Y280 HydrophobicContact CD1-CE2 4.13Å; I131-Y280 HydrophobicContact CD1-CG 4.1Å; I131-Y280 HydrophobicContact CG1-CD1 4.14Å; I131-Y280 HydrophobicContact CG1-CD2 4.36Å; I131-Y280 HydrophobicContact CG1-CE1 3.59Å; I131-Y280 HydrophobicContact CG1-CE2 3.85Å; I131-Y280 HydrophobicContact CG1-CG 4.49Å; I131-Y280 VanDerWaalsContact CG1-CZ 3.41Å; V277-Y280 HydrophobicContact CG2-CD1 4.21Å; Y280-I285 HydrophobicContact CD1-CG2 4.12Å; Y280-I285 HydrophobicContact CE1-CG2 4.22Å; Y280-T286 VanDerWaalsContact CB-OG1 3.28Å; Y280-T286 WeakPolarHBondContact CB-OG1 3.48Å; Y280-T286 HydrophobicContact CD2-CG2 4.42Å; Y280-K289 HydrophobicContact CE1-CD 4.32Å; Y280-K289 HydrophobicContact CE1-CG 4.11Å; Y280-K289 HydrophobicContact CE2-CG 4.15Å; Y280-K289 WeakPolarHBondContact OH-CD 3.27Å; Y280-K289 WeakPolarHBondContact OH-CE 3.47Å | ||
| 281 | Q | 98.4 | Very high | 97.9 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 15% | 0.145 | 20% | 0.204 | C | C | . | . | trans | -98.6 | -52.3 | -179.5 | -53.2 | -65.1 | -74.4 | 0 | 0 | 110.8 | E129 Y172 Y174 W179 M234 V277 A279 Q283 | E129-Q281 PolarHBondContact OE2-N 3.37Å; Y172-Q281 HydrophobicContact CD1-CB 3.76Å; Y172-Q281 HydrophobicContact CD2-CB 4.24Å; Y172-Q281 HydrophobicContact CE1-CB 4.48Å; Y172-Q281 HydrophobicContact CG-CB 3.6Å; Y172-Q281 HydrophobicContact CG-CG 4.47Å; Y174-Q281 PolarHBondContact OH-OE1 3.32Å; W179-Q281 HydrophobicContact CH2-CB 4.37Å; W179-Q281 HydrophobicContact CH2-CG 3.83Å; W179-Q281 HydrophobicContact CZ2-CB 4.18Å; W179-Q281 HydrophobicContact CZ2-CG 4.11Å; M234-Q281 HydrophobicContact CE-CG 4.37Å; V277-Q281 HydrophobicContact CG1-CG 3.98Å; A279-Q281 PolarHBondContact O-N 2.74Å; A279-Q281 PolarHBondContact O-NE2 3.05Å; Q281-Q283 PolarHBondContact O-N 3.36Å | ||
| 282 | N | 97.5 | Very high | 97.8 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 6% | 0.059 | 22% | 0.215 | C | C | . | . | trans | -81.6 | 117 | 176 | -172.4 | -8.5 | 0 | 0 | 0 | 111.4 | I126 E129 Y172 Q284 I285 T286 | I126-N282 VanDerWaalsContact CG2-ND2 3.29Å; I126-N282 WeakPolarHBondContact CG2-ND2 3.49Å; E129-N282 WeakPolarHBondContact OE1-CB 3.31Å; E129-N282 PolarHBondContact OE1-N 2.81Å; Y172-N282 HydrophobicContact CE2-CB 4.07Å; N282-Q284 PolarHBondContact ND2-OE1 3.45Å; N282-Q284 PolarHBondContact O-N 3.17Å; N282-Q284 WeakPolarHBondContact OD1-CB 3.46Å; N282-Q284 PolarHBondContact OD1-N 2.54Å; N282-I285 HydrophobicContact CB-CB 4.49Å; N282-I285 HydrophobicContact CB-CG1 4.02Å; N282-I285 WeakPolarHBondContact O-CB 3.31Å; N282-I285 PolarHBondContact O-N 2.9Å; N282-T286 PolarHBondContact O-N 3.49Å; N282-T286 VanDerWaalsContact O-N 3.16Å; N282-T286 PolarHBondContact O-OG1 3.06Å | ||
| 283 | Q | 96.4 | Very high | 97.7 | Very high | 94 Ų | 94 | 45.6 Ų | 45.6 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.4 | -22.9 | 177.8 | -64.9 | -59.9 | -31.5 | 0 | 0 | 113.9 | Q281 T286 R287 | Q281-Q283 PolarHBondContact O-N 3.36Å; Q283-T286 PolarHBondContact O-N 3.07Å; Q283-R287 VanDerWaalsContact O-CG 3.31Å; Q283-R287 WeakPolarHBondContact O-CG 3.23Å; Q283-R287 PolarHBondContact O-N 2.87Å |
| 284 | Q | 97.6 | Very high | 97.5 | Very high | 109 Ų | 109 | 48.4 Ų | 48.4 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.2 | -39.8 | 171.2 | -63.5 | 173.5 | -47.7 | 0 | 0 | 111.2 | I126 N282 L288 | I126-Q284 HydrophobicContact CD1-CB 4.45Å; I126-Q284 HydrophobicContact CG2-CB 3.63Å; N282-Q284 PolarHBondContact ND2-OE1 3.45Å; N282-Q284 PolarHBondContact O-N 3.17Å; N282-Q284 WeakPolarHBondContact OD1-CB 3.46Å; N282-Q284 PolarHBondContact OD1-N 2.54Å; Q284-L288 WeakPolarHBondContact O-CB 3.36Å; Q284-L288 PolarHBondContact O-N 2.95Å |
| 285 | I | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.9 | -49.6 | 172 | -60.8 | -68.7 | 0 | 0 | 0 | 109.2 | F123 I126 G127 E129 Y280 N282 R287 L288 K289 | F123-I285 HydrophobicContact CD1-CD1 3.95Å; F123-I285 HydrophobicContact CD1-CG2 4.37Å; F123-I285 HydrophobicContact CE1-CG2 4.26Å; I126-I285 HydrophobicContact CB-CD1 3.68Å; I126-I285 HydrophobicContact CB-CG1 4.48Å; I126-I285 HydrophobicContact CG2-CD1 3.46Å; I126-I285 VanDerWaalsContact CG2-CD1 3.46Å; I126-I285 HydrophobicContact CG2-CG1 3.73Å; G127-I285 VanDerWaalsContact O-CD1 3.3Å; G127-I285 WeakPolarHBondContact O-CD1 3.33Å; E129-I285 HydrophobicContact CB-CG2 4.09Å; E129-I285 HydrophobicContact CG-CG1 4.29Å; E129-I285 HydrophobicContact CG-CG2 4.48Å; Y280-I285 HydrophobicContact CD1-CG2 4.12Å; Y280-I285 HydrophobicContact CE1-CG2 4.22Å; N282-I285 HydrophobicContact CB-CB 4.49Å; N282-I285 HydrophobicContact CB-CG1 4.02Å; N282-I285 WeakPolarHBondContact O-CB 3.31Å; N282-I285 PolarHBondContact O-N 2.9Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.11Å; I285-L288 PolarHBondContact O-N 3.05Å; I285-L288 VanDerWaalsContact O-N 3.11Å; I285-K289 HydrophobicContact CG2-CD 4.35Å; I285-K289 HydrophobicContact CG2-CG 3.9Å; I285-K289 VanDerWaalsContact O-CG 3.23Å; I285-K289 WeakPolarHBondContact O-CG 3.3Å; I285-K289 PolarHBondContact O-N 3.03Å |
| 286 | T | 97.3 | Very high | 97 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 15% | 0.153 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -51.6 | -47.3 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | Y280 N282 Q283 K289 I290 | Y280-T286 VanDerWaalsContact CB-OG1 3.28Å; Y280-T286 WeakPolarHBondContact CB-OG1 3.48Å; Y280-T286 HydrophobicContact CD2-CG2 4.42Å; N282-T286 PolarHBondContact O-N 3.49Å; N282-T286 VanDerWaalsContact O-N 3.16Å; N282-T286 PolarHBondContact O-OG1 3.06Å; Q283-T286 PolarHBondContact O-N 3.07Å; T286-K289 PolarHBondContact O-N 3.4Å; T286-I290 HydrophobicContact CG2-CD1 4.1Å; T286-I290 WeakPolarHBondContact O-CG1 3.28Å; T286-I290 PolarHBondContact O-N 3.22Å |
| 287 | R | 96.8 | Very high | 96.6 | Very high | 167 Ų | 167 | 64.1 Ų | 64.1 | 63% | 0.63 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.1 | -52 | 175.7 | -69 | 168.1 | -172 | 179.8 | 2 | 111.7 | Q283 I285 K289 I290 D291 | Q283-R287 VanDerWaalsContact O-CG 3.31Å; Q283-R287 WeakPolarHBondContact O-CG 3.23Å; Q283-R287 PolarHBondContact O-N 2.87Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.11Å; R287-K289 VanDerWaalsContact C-N 3.28Å; R287-K289 PolarHBondContact O-N 3.24Å; R287-I290 WeakPolarHBondContact O-CA 3.34Å; R287-I290 WeakPolarHBondContact O-CB 3.41Å; R287-I290 PolarHBondContact O-N 2.91Å; R287-D291 VanDerWaalsContact O-CG 3.25Å; R287-D291 PolarHBondContact O-N 3.21Å |
| 288 | L | 97.8 | Very high | 96.2 | Very high | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.9 | -31.8 | 179.8 | -171.3 | 64.4 | 0 | 0 | 0 | 112.8 | R122 F123 I126 Q284 I285 R292 | R122-L288 HydrophobicContact CB-CD2 4.17Å; F123-L288 HydrophobicContact CD1-CD2 3.67Å; F123-L288 HydrophobicContact CD1-CG 4.24Å; F123-L288 HydrophobicContact CD2-CD2 4.14Å; F123-L288 HydrophobicContact CE1-CB 3.84Å; F123-L288 HydrophobicContact CE1-CD2 3.64Å; F123-L288 HydrophobicContact CE1-CG 3.67Å; F123-L288 HydrophobicContact CE2-CD2 4.13Å; F123-L288 HydrophobicContact CE2-CG 4.13Å; F123-L288 HydrophobicContact CG-CD2 3.91Å; F123-L288 HydrophobicContact CZ-CB 4.11Å; F123-L288 HydrophobicContact CZ-CD2 3.88Å; F123-L288 HydrophobicContact CZ-CG 3.61Å; I126-L288 HydrophobicContact CD1-CD2 3.93Å; Q284-L288 WeakPolarHBondContact O-CB 3.36Å; Q284-L288 PolarHBondContact O-N 2.95Å; I285-L288 PolarHBondContact O-N 3.05Å; I285-L288 VanDerWaalsContact O-N 3.11Å; L288-R292 HydrophobicContact CD1-CG 3.69Å; L288-R292 HydrophobicContact CG-CG 4.3Å; L288-R292 VanDerWaalsContact O-CB 3.29Å; L288-R292 WeakPolarHBondContact O-CB 3.47Å; L288-R292 VanDerWaalsContact O-CG 3.29Å; L288-R292 WeakPolarHBondContact O-CG 3.43Å; L288-R292 PolarHBondContact O-N 3.13Å; L288-R292 VanDerWaalsContact O-N 3.16Å |
| 289 | K | 97.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 68.1 Ų | 68.1 | 3% | 0.03 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 170.4 | -61.7 | -73.7 | -168.7 | -155.1 | 0 | 110.7 | F123 E129 F140 Y280 I285 T286 R287 N293 | F123-K289 HydrophobicContact CE1-CD 3.59Å; F123-K289 HydrophobicContact CE1-CG 3.92Å; F123-K289 HydrophobicContact CZ-CD 3.73Å; F123-K289 HydrophobicContact CZ-CG 4.24Å; E129-K289 WeakPolarHBondContact O-CE 3.39Å; E129-K289 PolarHBondContact O-NZ 2.92Å; F140-K289 HydrophobicContact CD1-CD 3.87Å; F140-K289 PolarHBondContact O-NZ 3.22Å; Y280-K289 HydrophobicContact CE1-CD 4.32Å; Y280-K289 HydrophobicContact CE1-CG 4.11Å; Y280-K289 HydrophobicContact CE2-CG 4.15Å; Y280-K289 WeakPolarHBondContact OH-CD 3.27Å; Y280-K289 WeakPolarHBondContact OH-CE 3.47Å; I285-K289 HydrophobicContact CG2-CD 4.35Å; I285-K289 HydrophobicContact CG2-CG 3.9Å; I285-K289 VanDerWaalsContact O-CG 3.23Å; I285-K289 WeakPolarHBondContact O-CG 3.3Å; I285-K289 PolarHBondContact O-N 3.03Å; T286-K289 PolarHBondContact O-N 3.4Å; R287-K289 VanDerWaalsContact C-N 3.28Å; R287-K289 PolarHBondContact O-N 3.24Å; K289-N293 WeakPolarHBondContact O-CB 3.36Å; K289-N293 PolarHBondContact O-N 3.31Å |
| 290 | I | 96.4 | Very high | 95.4 | Very high | 41 Ų | 41 | 70.3 Ų | 70.3 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 177.8 | -72 | 164.8 | 0 | 0 | 0 | 111 | T286 R287 R292 F299 R300 | T286-I290 HydrophobicContact CG2-CD1 4.1Å; T286-I290 WeakPolarHBondContact O-CG1 3.28Å; T286-I290 PolarHBondContact O-N 3.22Å; R287-I290 WeakPolarHBondContact O-CA 3.34Å; R287-I290 WeakPolarHBondContact O-CB 3.41Å; R287-I290 PolarHBondContact O-N 2.91Å; I290-R292 VanDerWaalsContact C-N 3.32Å; I290-R292 PolarHBondContact O-N 3.32Å; I290-F299 HydrophobicContact CD1-CB 4.07Å; I290-F299 HydrophobicContact CG1-CB 4.05Å; I290-F299 HydrophobicContact CG2-CB 3.84Å; I290-R300 HydrophobicContact CG2-CB 4.45Å; I290-R300 HydrophobicContact CG2-CG 3.65Å; I290-R300 PolarHBondContact O-NE 3.22Å; I290-R300 PolarHBondContact O-NH2 3.3Å |
| 291 | D | 96.3 | Very high | 93.9 | Very high | 83 Ų | 83 | 72.3 Ų | 72.3 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.4 | -31.7 | -175.7 | -64.8 | -23.2 | 0 | 0 | 0 | 113.4 | R287 R300 | R287-D291 VanDerWaalsContact O-CG 3.25Å; R287-D291 PolarHBondContact O-N 3.21Å; D291-R300 PolarHBondContact O-NH1 3.11Å; D291-R300 PolarHBondContact O-NH2 2.8Å |
| 292 | R | 96.8 | Very high | 92 | Very high | 109 Ų | 109 | 73.9 Ų | 73.9 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -108.5 | -27.6 | -171.3 | -54.2 | -57 | 179.9 | 99.9 | -3.7 | 114.3 | L119 F140 L288 I290 P294 | L119-R292 HydrophobicContact CD1-CB 4.06Å; L119-R292 HydrophobicContact CD1-CG 3.87Å; F140-R292 HydrophobicContact CE1-CB 4.01Å; F140-R292 VanDerWaalsContact CZ-C 3.42Å; F140-R292 HydrophobicContact CZ-CB 3.96Å; F140-R292 WeakPolarHBondContact CZ-O 3.46Å; L288-R292 HydrophobicContact CD1-CG 3.69Å; L288-R292 HydrophobicContact CG-CG 4.3Å; L288-R292 VanDerWaalsContact O-CB 3.29Å; L288-R292 WeakPolarHBondContact O-CB 3.47Å; L288-R292 VanDerWaalsContact O-CG 3.29Å; L288-R292 WeakPolarHBondContact O-CG 3.43Å; L288-R292 PolarHBondContact O-N 3.13Å; L288-R292 VanDerWaalsContact O-N 3.16Å; I290-R292 VanDerWaalsContact C-N 3.32Å; I290-R292 PolarHBondContact O-N 3.32Å; R292-P294 WeakPolarHBondContact O-CD 3.49Å |
| 293 | N | 96.4 | Very high | 90 | Very high | 27 Ų | 27 | 77 Ų | 77 | 14% | 0.144 | 40% | 0.403 | C | S | . | . | trans | -79.3 | 120.1 | 177.4 | -171.7 | -17.2 | 0 | 0 | 0 | 110.6 | F140 K289 F295 A296 R300 | F140-N293 HydrophobicContact CD1-CB 3.93Å; F140-N293 HydrophobicContact CD2-CB 3.9Å; F140-N293 HydrophobicContact CE1-CB 3.85Å; F140-N293 HydrophobicContact CE2-CB 3.82Å; F140-N293 HydrophobicContact CG-CB 3.96Å; F140-N293 VanDerWaalsContact CZ-CA 3.46Å; F140-N293 HydrophobicContact CZ-CB 3.81Å; K289-N293 WeakPolarHBondContact O-CB 3.36Å; K289-N293 PolarHBondContact O-N 3.31Å; N293-F295 PolarHBondContact O-N 2.87Å; N293-F295 WeakPolarHBondContact OD1-CB 3.38Å; N293-F295 WeakPolarHBondContact OD1-CD2 3.45Å; N293-F295 PolarHBondContact OD1-N 2.95Å; N293-A296 HydrophobicContact CB-CB 4.06Å; N293-A296 PolarHBondContact O-N 2.84Å; N293-R300 PolarHBondContact O-NH2 3Å | ||
| 294 | P | 94.9 | Very high | 88.1 | Confident | 91 Ų | 91 | 82.9 Ų | 82.9 | 59% | 0.591 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -57.5 | -36.8 | 177 | -24.9 | 35.5 | 0 | 0 | 0 | 113.1 | R292 A296 K297 | R292-P294 WeakPolarHBondContact O-CD 3.49Å; P294-A296 PolarHBondContact O-N 3.35Å; P294-K297 WeakPolarHBondContact O-CB 3.25Å; P294-K297 PolarHBondContact O-N 2.83Å; P294-K297 VanDerWaalsContact O-N 3.16Å |
| 295 | F | 93.7 | Very high | 85.9 | Confident | 191 Ų | 191 | 84.4 Ų | 84.4 | 84% | 0.838 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -71.3 | -7 | 178.9 | -57.7 | -73.3 | 0 | 0 | 0 | 113.7 | N293 | N293-F295 PolarHBondContact O-N 2.87Å; N293-F295 WeakPolarHBondContact OD1-CB 3.38Å; N293-F295 WeakPolarHBondContact OD1-CD2 3.45Å; N293-F295 PolarHBondContact OD1-N 2.95Å |
| 296 | A | 93.1 | Very high | 83.8 | Confident | 15 Ų | 15 | 91.7 Ų | 91.7 | 12% | 0.124 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -105.2 | 7.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | N293 P294 G298 F299 | N293-A296 HydrophobicContact CB-CB 4.06Å; N293-A296 PolarHBondContact O-N 2.84Å; P294-A296 PolarHBondContact O-N 3.35Å; A296-G298 PolarHBondContact O-N 2.58Å; A296-G298 VanDerWaalsContact O-N 3.12Å; A296-F299 PolarHBondContact O-N 3.34Å |
| 297 | K | 90.1 | Very high | 81.7 | Confident | 135 Ų | 135 | 99.6 Ų | 99.6 | 59% | 0.587 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -50.6 | -40.7 | -175.4 | -176.1 | -177.3 | 175.1 | -173.4 | 0 | 113.4 | P294 F299 R300 | P294-K297 WeakPolarHBondContact O-CB 3.25Å; P294-K297 PolarHBondContact O-N 2.83Å; P294-K297 VanDerWaalsContact O-N 3.16Å; K297-F299 PolarHBondContact O-N 3.33Å; K297-R300 WeakPolarHBondContact O-CB 3.1Å; K297-R300 WeakPolarHBondContact O-CG 3.48Å; K297-R300 PolarHBondContact O-N 2.88Å |
| 298 | G | 90.6 | Very high | 79.2 | Confident | 66 Ų | 66 | 94.4 Ų | 94.4 | 68% | 0.68 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -61.1 | -15.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | A296 | A296-G298 PolarHBondContact O-N 2.58Å; A296-G298 VanDerWaalsContact O-N 3.12Å |
| 299 | F | 88.6 | Confident | 77.1 | Confident | 104 Ų | 104 | 100 Ų | 100 | 46% | 0.456 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -93.1 | -6 | 176.4 | -62.5 | -78.4 | 0 | 0 | 0 | 113.8 | I290 A296 K297 | I290-F299 HydrophobicContact CD1-CB 4.07Å; I290-F299 HydrophobicContact CG1-CB 4.05Å; I290-F299 HydrophobicContact CG2-CB 3.84Å; A296-F299 PolarHBondContact O-N 3.34Å; K297-F299 PolarHBondContact O-N 3.33Å |
| 300 | R | 89.6 | Confident | 75.1 | Confident | 92 Ų | 92 | 107 Ų | 107 | 35% | 0.347 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | -45 | -178.3 | -62.9 | 175.5 | -168.5 | -174.3 | 4.4 | 111.7 | I290 D291 N293 K297 S302 | I290-R300 HydrophobicContact CG2-CB 4.45Å; I290-R300 HydrophobicContact CG2-CG 3.65Å; I290-R300 PolarHBondContact O-NE 3.22Å; I290-R300 PolarHBondContact O-NH2 3.3Å; D291-R300 PolarHBondContact O-NH1 3.11Å; D291-R300 PolarHBondContact O-NH2 2.8Å; N293-R300 PolarHBondContact O-NH2 3Å; K297-R300 WeakPolarHBondContact O-CB 3.1Å; K297-R300 WeakPolarHBondContact O-CG 3.48Å; K297-R300 PolarHBondContact O-N 2.88Å; R300-S302 VanDerWaalsContact C-N 3.31Å; R300-S302 PolarHBondContact O-N 3.47Å |
| 301 | D | 68.8 | Low | 73.2 | Confident | 101 Ų | 101 | 106.5 Ų | 106.5 | 54% | 0.54 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -81.4 | -11.1 | -171.1 | -57.6 | -60.8 | 0 | 0 | 0 | 113.3 | G303 R304 | D301-G303 PolarHBondContact O-N 3.39Å; D301-G303 VanDerWaalsContact O-N 3.12Å; D301-R304 PolarHBondContact O-N 2.74Å |
| 302 | S | 57.4 | Low | 71.5 | Confident | 65 Ų | 65 | 108.1 Ų | 108.1 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -57.4 | -25.2 | 176.7 | -51.4 | 0 | 0 | 0 | 0 | 113.6 | R300 | R300-S302 VanDerWaalsContact C-N 3.31Å; R300-S302 PolarHBondContact O-N 3.47Å |
| 303 | G | 55.5 | Low | 70 | Confident | 76 Ų | 76 | 107.4 Ų | 107.4 | 78% | 0.784 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -81.7 | -6.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | D301 | D301-G303 PolarHBondContact O-N 3.39Å; D301-G303 VanDerWaalsContact O-N 3.12Å |
| 304 | R | 56.1 | Low | 68.2 | Low | 218 Ų | 218 | 111.5 Ų | 111.5 | 82% | 0.823 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -30.1 | -174.2 | -170.5 | 170.1 | 175.9 | 175.2 | -1.8 | 114.5 | D301 | D301-R304 PolarHBondContact O-N 2.74Š|
| 305 | N | 51.7 | Low | 66.5 | Low | 141 Ų | 141 | 109.6 Ų | 109.6 | 75% | 0.754 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -120.7 | 13.9 | -171.2 | -68.7 | -13.2 | 0 | 0 | 0 | 114.5 | ||
| 306 | R | 53.4 | Low | 64.8 | Low | 152 Ų | 152 | 107.8 Ų | 107.8 | 57% | 0.574 | 57% | 0.573 | S | S | * | * | trans | -127.1 | 99.4 | 170.7 | -74.7 | -166.8 | 173.7 | -158.9 | 2.6 | 110.9 | A311 E314 | R306-A311 HydrophobicContact CB-CB 4.18Å; R306-E314 IonicContact CZ-OE2 3.41Å; R306-E314 IonicContact NH1-OE2 3Å; R306-E314 PolarHBondContact NH1-OE2 3.17Å | ||
| 307 | M | 54 | Low | 63.2 | Low | 192 Ų | 192 | 110.1 Ų | 110.1 | 95% | 0.946 | 59% | 0.592 | S | S | * | * | trans | -71 | 146.1 | 158.6 | 57.8 | 177.8 | 68.8 | 0 | 0 | 109.5 | ||||
| 308 | G | 44.4 | Very low | 61.5 | Low | 58 Ų | 58 | 111.1 Ų | 111.1 | 60% | 0.598 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 111.2 | 147.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E310 | G308-E310 PolarHBondContact O-N 3.36Š|
| 309 | L | 54.5 | Low | 59.7 | Low | 137 Ų | 137 | 116.1 Ų | 116.1 | 72% | 0.717 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -26.3 | -177.3 | -168 | 68.6 | 0 | 0 | 0 | 113.2 | A311 L312 V313 | L309-A311 VanDerWaalsContact C-N 3.34Å; L309-A311 PolarHBondContact O-N 2.81Å; L309-L312 WeakPolarHBondContact O-CB 3.41Å; L309-L312 PolarHBondContact O-N 3.09Å; L309-L312 VanDerWaalsContact O-N 3.1Å; L309-V313 PolarHBondContact O-N 2.85Å |
| 310 | E | 54.8 | Low | 58.1 | Low | 152 Ų | 152 | 119.7 Ų | 119.7 | 71% | 0.71 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59 | -39 | -175 | -59.1 | -174.1 | 152.2 | 0 | 0 | 113.2 | G308 L312 V313 E314 | G308-E310 PolarHBondContact O-N 3.36Å; E310-L312 PolarHBondContact O-N 2.96Å; E310-V313 PolarHBondContact O-N 3.1Å; E310-E314 PolarHBondContact O-N 3.33Å |
| 311 | A | 57.5 | Low | 55.7 | Low | 32 Ų | 32 | 120.9 Ų | 120.9 | 26% | 0.264 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.9 | -28.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R306 L309 S315 | R306-A311 HydrophobicContact CB-CB 4.18Å; L309-A311 VanDerWaalsContact C-N 3.34Å; L309-A311 PolarHBondContact O-N 2.81Å; A311-S315 WeakPolarHBondContact O-CB 3.32Å; A311-S315 PolarHBondContact O-N 3.41Å; A311-S315 PolarHBondContact O-OG 3.41Å |
| 312 | L | 60.7 | Low | 54.4 | Low | 117 Ų | 117 | 121.3 Ų | 121.3 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.8 | -38.6 | 173.2 | -162.9 | 77.6 | 0 | 0 | 0 | 111.3 | L309 E310 S315 Y316 | L309-L312 WeakPolarHBondContact O-CB 3.41Å; L309-L312 PolarHBondContact O-N 3.09Å; L309-L312 VanDerWaalsContact O-N 3.1Å; E310-L312 PolarHBondContact O-N 2.96Å; L312-S315 PolarHBondContact O-OG 3.1Å; L312-S315 VanDerWaalsContact O-OG 3.13Å; L312-Y316 WeakPolarHBondContact O-CB 3.41Å; L312-Y316 PolarHBondContact O-N 3.44Å |
| 313 | V | 65 | Low | 54 | Low | 93 Ų | 93 | 125.8 Ų | 125.8 | 56% | 0.564 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.6 | -47 | 179.2 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | L309 E310 S315 Y316 A317 | L309-V313 PolarHBondContact O-N 2.85Å; E310-V313 PolarHBondContact O-N 3.1Å; V313-S315 VanDerWaalsContact C-N 3.35Å; V313-S315 PolarHBondContact O-N 2.71Å; V313-Y316 PolarHBondContact O-N 3.18Å; V313-A317 WeakPolarHBondContact O-CB 3.36Å; V313-A317 PolarHBondContact O-N 3.39Å |
| 314 | E | 57.4 | Low | 53.4 | Low | 113 Ų | 113 | 132.5 Ų | 132.5 | 53% | 0.528 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -58.8 | -44.9 | 175.6 | -73.7 | -167.6 | 130.1 | 0 | 0 | 111.4 | R306 E310 A317 F318 | R306-E314 IonicContact CZ-OE2 3.41Å; R306-E314 IonicContact NH1-OE2 3Å; R306-E314 PolarHBondContact NH1-OE2 3.17Å; E310-E314 PolarHBondContact O-N 3.33Å; E314-A317 PolarHBondContact O-N 2.92Å; E314-F318 WeakPolarHBondContact O-CB 3.26Å; E314-F318 PolarHBondContact O-N 3.29Å |
| 315 | S | 60.3 | Low | 52.8 | Low | 52 Ų | 52 | 128.1 Ų | 128.1 | 36% | 0.364 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -67.7 | -35.3 | 177.6 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | A311 L312 V313 A317 W319 | A311-S315 WeakPolarHBondContact O-CB 3.32Å; A311-S315 PolarHBondContact O-N 3.41Å; A311-S315 PolarHBondContact O-OG 3.41Å; L312-S315 PolarHBondContact O-OG 3.1Å; L312-S315 VanDerWaalsContact O-OG 3.13Å; V313-S315 VanDerWaalsContact C-N 3.35Å; V313-S315 PolarHBondContact O-N 2.71Å; S315-A317 VanDerWaalsContact C-N 3.33Å; S315-A317 PolarHBondContact O-N 3.5Å; S315-W319 PolarHBondContact O-N 3.25Å |
| 316 | Y | 57.9 | Low | 52.3 | Low | 153 Ų | 153 | 128.2 Ų | 128.2 | 60% | 0.6 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.1 | -32.4 | 172.1 | -125.3 | -91.9 | 0 | 0 | 0 | 113.3 | L312 V313 | L312-Y316 WeakPolarHBondContact O-CB 3.41Å; L312-Y316 PolarHBondContact O-N 3.44Å; V313-Y316 PolarHBondContact O-N 3.18Å |
| 317 | A | 58.8 | Low | 52.1 | Low | 63 Ų | 63 | 125.3 Ų | 125.3 | 52% | 0.521 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -71.5 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V313 E314 S315 W319 R320 | V313-A317 WeakPolarHBondContact O-CB 3.36Å; V313-A317 PolarHBondContact O-N 3.39Å; E314-A317 PolarHBondContact O-N 2.92Å; S315-A317 VanDerWaalsContact C-N 3.33Å; S315-A317 PolarHBondContact O-N 3.5Å; A317-W319 VanDerWaalsContact C-N 3.27Å; A317-W319 PolarHBondContact O-N 3.36Å; A317-R320 PolarHBondContact O-N 3.32Å; A317-R320 VanDerWaalsContact O-N 3.14Å |
| 318 | F | 54.9 | Low | 51.2 | Low | 157 Ų | 157 | 124.8 Ų | 124.8 | 69% | 0.689 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64 | -26.7 | -176.3 | -162.9 | -91.7 | 0 | 0 | 0 | 113.9 | E314 | E314-F318 WeakPolarHBondContact O-CB 3.26Å; E314-F318 PolarHBondContact O-N 3.29Å |
| 319 | W | 51.8 | Low | 51.3 | Low | 170 Ų | 170 | 130.3 Ų | 130.3 | 64% | 0.644 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -0.3 | 177.3 | -67.5 | 114.8 | 0 | 0 | 0 | 114.7 | S315 A317 | S315-W319 PolarHBondContact O-N 3.25Å; A317-W319 VanDerWaalsContact C-N 3.27Å; A317-W319 PolarHBondContact O-N 3.36Å |
| 320 | R | 55.5 | Low | 50.7 | Low | 179 Ų | 179 | 128.7 Ų | 128.7 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -87.7 | 142.3 | 169.1 | -82.5 | -173.3 | 164.8 | 175.7 | -3.1 | 110.8 | A317 S322 | A317-R320 PolarHBondContact O-N 3.32Å; A317-R320 VanDerWaalsContact O-N 3.14Å; R320-S322 PolarHBondContact O-N 3.28Å |
| 321 | P | 39.5 | Very low | 50.6 | Low | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | trans | -53.6 | 134.6 | 161.4 | -21.7 | 33.1 | 0 | 0 | 0 | 109.2 | L323 | P321-L323 PolarHBondContact O-N 2.98Š| ||
| 322 | S | 40.5 | Very low | 49.7 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | trans | -64.3 | 100.2 | -179.1 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | R320 R324 | R320-S322 PolarHBondContact O-N 3.28Å; S322-R324 VanDerWaalsContact C-N 3.29Å; S322-R324 PolarHBondContact O-N 3.28Å | ||
| 323 | L | 50 | Low | 48.9 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | trans | -65.9 | 97.9 | 156.1 | -69.4 | 177.5 | 0 | 0 | 0 | 105.8 | P321 T325 | P321-L323 PolarHBondContact O-N 2.98Å; L323-T325 PolarHBondContact O-N 3.2Å; L323-T325 VanDerWaalsContact O-N 3.11Å | ||
| 324 | R | 43.7 | Very low | 47.5 | Very low | 218 Ų | 218 | 133.3 Ų | 133.3 | 82% | 0.823 | 69% | 0.689 | S | S | * | * | trans | -53.8 | 120.7 | 165.6 | -76.6 | -171.2 | 171.8 | 114.7 | -2.6 | 107.3 | S322 L326 | S322-R324 VanDerWaalsContact C-N 3.29Å; S322-R324 PolarHBondContact O-N 3.28Å; R324-L326 PolarHBondContact O-N 3.41Å | ||
| 325 | T | 43.1 | Very low | 46.5 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | trans | -56.2 | 113 | 163.5 | -43.3 | 0 | 0 | 0 | 0 | 106.4 | L323 T327 | L323-T325 PolarHBondContact O-N 3.2Å; L323-T325 VanDerWaalsContact O-N 3.11Å; T325-T327 PolarHBondContact O-N 2.92Å | ||
| 326 | L | 39.5 | Very low | 45.4 | Very low | 142 Ų | 142 | 140 Ų | 140 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | -63.8 | 104 | 176.8 | -73.3 | 172.4 | 0 | 0 | 0 | 107.7 | R324 D330 | R324-L326 PolarHBondContact O-N 3.41Å; L326-D330 HydrophobicContact CD2-CB 4.14Å | ||
| 327 | T | 49.3 | Very low | 44.4 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 56% | 0.564 | 74% | 0.743 | S | S | * | * | trans | -73 | 150.6 | 171.8 | 38.8 | 0 | 0 | 0 | 0 | 108.9 | T325 E329 D330 | T325-T327 PolarHBondContact O-N 2.92Å; T327-E329 PolarHBondContact O-N 3.04Å; T327-D330 PolarHBondContact O-N 3.19Å; T327-D330 VanDerWaalsContact O-N 3.09Å | ||
| 328 | F | 36.7 | Very low | 43.1 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 79% | 0.789 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -9.8 | -170.4 | -172.2 | -103.6 | 0 | 0 | 0 | 115.3 | I331 | F328-I331 HydrophobicContact CE2-CD1 4.45Š|
| 329 | E | 46.3 | Very low | 42.3 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -11.9 | 176.4 | -57.7 | -162.1 | 125.2 | 0 | 0 | 114.6 | T327 I331 | T327-E329 PolarHBondContact O-N 3.04Å; E329-I331 PolarHBondContact O-N 2.91Å |
| 330 | D | 41.7 | Very low | 41.6 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | trans | -74.8 | 22.6 | -179.9 | -74.6 | -49.7 | 0 | 0 | 0 | 114.2 | L326 T327 | L326-D330 HydrophobicContact CD2-CB 4.14Å; T327-D330 PolarHBondContact O-N 3.19Å; T327-D330 VanDerWaalsContact O-N 3.09Å | ||
| 331 | I | 51.7 | Low | 40.3 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 57% | 0.569 | 77% | 0.765 | S | S | * | * | trans | -108.8 | 108 | 178.9 | -55.5 | 178 | 0 | 0 | 0 | 110.3 | F328 E329 G333 | F328-I331 HydrophobicContact CE2-CD1 4.45Å; E329-I331 PolarHBondContact O-N 2.91Å; I331-G333 PolarHBondContact O-N 2.95Å; I331-G333 VanDerWaalsContact O-N 3.1Å | ||
| 332 | P | 39.7 | Very low | 39.9 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 100.3 | 174.3 | -6.7 | 23.3 | 0 | 0 | 0 | 110 | ||
| 333 | G | 42.5 | Very low | 39.5 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 172.8 | -7.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | I331 | I331-G333 PolarHBondContact O-N 2.95Å; I331-G333 VanDerWaalsContact O-N 3.1Å |
| 334 | M | 36.6 | Very low | 38.6 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | -115.1 | 117.3 | -179.2 | -66.1 | -169.5 | 72.7 | 0 | 0 | 112.3 | ||||
| 335 | A | 36 | Very low | 37.9 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | -75.8 | 137.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q337 | A335-Q337 PolarHBondContact O-N 3.4Š| ||
| 336 | K | 38.5 | Very low | 37.3 | Very low | 206 Ų | 206 | 128.4 Ų | 128.4 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | trans | -74.4 | 111.6 | 167.3 | -69.6 | -177.7 | 178.1 | 179.4 | 0 | 109.1 | ||||
| 337 | Q | 35.5 | Very low | 36.9 | Very low | 191 Ų | 191 | 125.2 Ų | 125.2 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 122.3 | 165.9 | -165.4 | 165 | 8.2 | 0 | 0 | 109.2 | A335 | A335-Q337 PolarHBondContact O-N 3.4Š|
| 338 | G | 32 | Very low | 36.1 | Very low | 70 Ų | 70 | 127 Ų | 127 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 151.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 339 | I | 37.3 | Very low | 35.9 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 157.2 | 171.2 | -31 | 177.6 | 0 | 0 | 0 | 109.3 | ||
| 340 | P | 37.6 | Very low | 35.4 | Very low | 125 Ų | 125 | 119.2 Ų | 119.2 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | -144.7 | 134 | 114.1 | 34.7 | -19.6 | 0 | 0 | 0 | 116 | |||||
| 341 | G | 29.8 | Very low | 35 | Very low | 62 Ų | 62 | 122.1 Ų | 122.1 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | trans | 84 | 160.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 342 | T | 30.4 | Very low | 34.3 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | cis | -160.4 | 156.4 | -18.3 | -39.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 343 | H | 32.1 | Very low | 33.9 | Very low | 184 Ų | 184 | 124.6 Ų | 124.6 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | trans | 72.8 | 134 | 164.5 | -49.7 | -72 | 0 | 0 | 0 | 120.5 | ||||
| 344 | G | 29.9 | Very low | 33.2 | Very low | 78 Ų | 78 | 126.1 Ų | 126.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 114.9 | 90.8 | 122.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 345 | G | 29.7 | Very low | 33 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | 92.2 | 113.4 | 122.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 346 | V | 31.2 | Very low | 32.8 | Very low | 150 Ų | 150 | 123.9 Ų | 123.9 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | 63.1 | 120.9 | 138.8 | -169.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 347 | G | 31 | Very low | 32.8 | Very low | 75 Ų | 75 | 120.2 Ų | 120.2 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -171.2 | 143 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 348 | T | 31.3 | Very low | 32.6 | Very low | 130 Ų | 130 | 117.3 Ų | 117.3 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | trans | -130 | 150 | -159.1 | 48.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 349 | S | 33.3 | Very low | 32.8 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | 63.7 | 121.4 | 160.9 | -95.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 350 | S | 35.3 | Very low | 32.8 | Very low | 83 Ų | 83 | 116.9 Ų | 116.9 | 58% | 0.58 | 77% | 0.77 | S | S | * | * | 75.1 | 136.2 | 74.8 | 81.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 351 | H | 34.1 | Very low | 33.3 | Very low | 163 Ų | 163 | 115.6 Ų | 115.6 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | cis | -133 | 177.1 | 16.9 | -74 | -94.5 | 0 | 0 | 0 | 110.6 | ||||
| 352 | L | 36 | Very low | 33.3 | Very low | 149 Ų | 149 | 122.7 Ų | 122.7 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | cis | -157.3 | 148.9 | 49.2 | -74.2 | 160.7 | 0 | 0 | 0 | 114.3 | ||||
| 353 | L | 32.4 | Very low | 33.5 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 13.2 | 127.8 | 145.1 | -43.4 | 177.5 | 0 | 0 | 0 | 118.7 | ||||
| 354 | S | 28.4 | Very low | 33.5 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | cis | 83.5 | 136.4 | 13.8 | -152.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 355 | T | 31.2 | Very low | 33.7 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 68.4 | 150.3 | 172.9 | 87.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 356 | S | 31 | Very low | 34.3 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | cis | -147.6 | 156.8 | 3.7 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 357 | P | 38.8 | Very low | 34.3 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -106.1 | 155 | 140.9 | 35.6 | -28.9 | 0 | 0 | 0 | 111.3 | ||||
| 358 | C | 31.5 | Very low | 34.7 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -93.6 | 156.5 | -173.7 | -65.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 359 | S | 36.9 | Very low | 35.9 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -60.7 | 172.5 | 173.4 | -39.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 360 | S | 36.8 | Very low | 36.6 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | -166.3 | -167.1 | 26.3 | -153.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 361 | P | 47.8 | Very low | 36.3 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 63% | 0.63 | 78% | 0.781 | S | S | * | * | -122.9 | 168.6 | -85.3 | 39.4 | -24.9 | 0 | 0 | 0 | 114.1 | |||||
| 362 | F | 30.3 | Very low | 36.1 | Very low | 212 Ų | 212 | 135 Ų | 135 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | -163.2 | 127.2 | 129.9 | -100.2 | -66.3 | 0 | 0 | 0 | 109.1 | |||||
| 363 | Q | 35.2 | Very low | 36.1 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -103.4 | 139.1 | 176.7 | -75.7 | 178.2 | -94.1 | 0 | 0 | 111.2 | ||||
| 364 | V | 31.4 | Very low | 35.8 | Very low | 148 Ų | 148 | 131 Ų | 131 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -138.2 | 137.5 | 149 | -167 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 365 | C | 34.3 | Very low | 35.9 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | trans | -83.1 | 150.3 | -170 | -58.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 366 | P | 41.1 | Very low | 36.3 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -84.2 | 124.5 | 166.9 | 33.1 | -30.7 | 0 | 0 | 0 | 111.1 | ||||
| 367 | L | 33.2 | Very low | 36.8 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -143 | 130.2 | 170.7 | -82.6 | 174 | 0 | 0 | 0 | 111 | ||||
| 368 | S | 38.6 | Very low | 36.8 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -158 | 156.5 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 369 | P | 55.9 | Low | 36.9 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -112.9 | -161.9 | -32.8 | 36.8 | -19.1 | 0 | 0 | 0 | 109.4 | ||||
| 370 | P | 47.6 | Very low | 37.4 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | -146 | 166.4 | 81.5 | 38.1 | -20 | 0 | 0 | 0 | 116.1 | |||||
| 371 | D | 30 | Very low | 37.1 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 27 | 122.3 | 147.7 | -49.2 | -30.9 | 0 | 0 | 0 | 121.1 | ||||
| 372 | Y | 30.6 | Very low | 36.3 | Very low | 228 Ų | 228 | 140.6 Ų | 140.6 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | -163.5 | 166.7 | 92.1 | -117.9 | -91.8 | 0 | 0 | 0 | 111.8 | |||||
| 373 | S | 34.4 | Very low | 36.2 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -82.6 | 150.7 | 177 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 374 | C | 27.6 | Very low | 36.2 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | 177.9 | 160.8 | 108.1 | -146.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 375 | S | 29.6 | Very low | 36.2 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | 26.6 | 117.6 | 150.9 | 54.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 376 | R | 39.2 | Very low | 36.1 | Very low | 221 Ų | 221 | 138 Ų | 138 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -64.1 | 143.9 | 139 | -162.1 | -169.1 | -151.6 | -161.5 | 8.8 | 109.3 | ||||
| 377 | P | 42.8 | Very low | 35.7 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | trans | -134.8 | 126.3 | 142 | 32.3 | -18.7 | 0 | 0 | 0 | 113.9 | ||||
| 378 | T | 37.2 | Very low | 36.7 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | trans | -86 | 138.6 | 155.4 | 44.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 379 | H | 34.9 | Very low | 36.5 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | trans | -154.6 | 159.5 | 176.7 | -107.4 | -58.4 | 0 | 0 | 0 | 111.3 | ||||
| 380 | P | 46.1 | Very low | 36.4 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 55% | 0.552 | 74% | 0.74 | S | S | * | * | -133.7 | 178.8 | -88.4 | 44.3 | -32.6 | 0 | 0 | 0 | 114.3 | |||||
| 381 | L | 31.7 | Very low | 35.9 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 95% | 0.948 | 75% | 0.745 | S | S | * | * | trans | -133 | 153.5 | 132.4 | -83.8 | -175 | 0 | 0 | 0 | 109.8 | ||||
| 382 | H | 30.9 | Very low | 36.7 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | trans | -90.1 | 140.9 | -160 | -109.6 | -93.8 | 0 | 0 | 0 | 114.4 | ||||
| 383 | C | 28.1 | Very low | 37.4 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 78% | 0.777 | 74% | 0.738 | S | S | * | * | trans | -89.1 | 150.7 | 139.7 | -62.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 384 | Y | 35.5 | Very low | 38.1 | Very low | 225 Ų | 225 | 132.2 Ų | 132.2 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | trans | -104.2 | 145.1 | 141.8 | -95.4 | -91.4 | 0 | 0 | 0 | 106.9 | ||||
| 385 | G | 31.9 | Very low | 38.6 | Very low | 61 Ų | 61 | 138.7 Ų | 138.7 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | trans | -147.9 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 386 | N | 31.8 | Very low | 38.6 | Very low | 175 Ų | 175 | 137.7 Ų | 137.7 | 94% | 0.936 | 76% | 0.755 | S | S | * | * | trans | -163 | 156.9 | 157.1 | -94.2 | -29.3 | 0 | 0 | 0 | 109.4 | ||||
| 387 | A | 32.4 | Very low | 38.9 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -161 | -178 | -179 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 388 | P | 54.8 | Low | 38.3 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | cis | -134.7 | 172.4 | -7 | 41.5 | -25.7 | 0 | 0 | 0 | 115.6 | ||||
| 389 | E | 34.5 | Very low | 38 | Very low | 165 Ų | 165 | 133 Ų | 133 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | trans | 63.7 | 165.1 | 144.8 | -73.3 | -91.6 | 87.4 | 0 | 0 | 120.6 | ||||
| 390 | P | 53.1 | Low | 37.9 | Very low | 80 Ų | 80 | 134.8 Ų | 134.8 | 52% | 0.519 | 76% | 0.762 | S | S | . | * | cis | -138.8 | 174.8 | -28.3 | 35.3 | -16.7 | 0 | 0 | 0 | 116.7 | ||||
| 391 | F | 36 | Very low | 37.2 | Very low | 184 Ų | 184 | 137.9 Ų | 137.9 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | trans | 72.1 | 163 | 152 | -65.1 | -43.4 | 0 | 0 | 0 | 121.6 | ||||
| 392 | P | 46.9 | Very low | 37.2 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | cis | -134.3 | -133 | -47.8 | 44.2 | -26 | 0 | 0 | 0 | 113.6 | ||||
| 393 | P | 45.9 | Very low | 37.2 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | trans | -119.4 | 177 | -138.5 | 43.4 | -24.7 | 0 | 0 | 0 | 116.9 | ||||
| 394 | P | 49.2 | Very low | 37.4 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -90.5 | 144.1 | 172 | 34.4 | -33.8 | 0 | 0 | 0 | 115 | ||||
| 395 | R | 37.2 | Very low | 37.3 | Very low | 249 Ų | 249 | 130.6 Ų | 130.6 | 94% | 0.94 | 77% | 0.767 | S | S | * | * | trans | -134.9 | 157.1 | 154.7 | -79.3 | -174.3 | 173.1 | -174.1 | -1 | 108 | ||||
| 396 | G | 30.3 | Very low | 37.3 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -74.3 | -168.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 397 | P | 45.3 | Very low | 37.4 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | cis | -146.6 | -165.6 | 36.9 | 43 | -22.3 | 0 | 0 | 0 | 117.1 | ||||
| 398 | S | 31.3 | Very low | 37.4 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | trans | 67.2 | 110.1 | 148.7 | 66.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 399 | S | 30.2 | Very low | 36.4 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | 28 | 127.9 | 126.8 | 60.2 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 400 | Y | 31.8 | Very low | 36.6 | Very low | 206 Ų | 206 | 139.4 Ų | 139.4 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | -166.9 | 171.7 | 135.1 | 180 | -114.7 | 0 | 0 | 0 | 111 | ||||
| 401 | E | 31.6 | Very low | 36.4 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | trans | -77.3 | 173.4 | -168 | -54.8 | 172.1 | 133.1 | 0 | 0 | 116 | ||||
| 402 | G | 31.6 | Very low | 36.6 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 172.7 | 119.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 403 | E | 31.9 | Very low | 36.2 | Very low | 188 Ų | 188 | 136.5 Ų | 136.5 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -83.1 | 160.5 | -177.3 | -61.8 | -179.5 | 96.1 | 0 | 0 | 114.4 | ||||
| 404 | G | 32 | Very low | 35.7 | Very low | 79 Ų | 79 | 140.1 Ų | 140.1 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | trans | -174 | 91.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 405 | F | 33.5 | Very low | 35.1 | Very low | 174 Ų | 174 | 141.1 Ų | 141.1 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | -76.7 | 138.1 | -178.1 | -93.4 | -102.1 | 0 | 0 | 0 | 115 | ||||
| 406 | R | 32.9 | Very low | 34.8 | Very low | 238 Ų | 238 | 132.5 Ų | 132.5 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | 171.3 | 120.6 | 116.1 | -91 | 168.7 | -177.7 | -161.6 | -0.2 | 109.8 | |||||
| 407 | S | 32.5 | Very low | 35.1 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | 89.3 | 102 | 51.3 | -63.8 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 408 | L | 33.3 | Very low | 34.5 | Very low | 185 Ų | 185 | 140 Ų | 140 | 97% | 0.969 | 80% | 0.8 | S | S | * | * | trans | -133.3 | 160.4 | 144.5 | -76.7 | -179.5 | 0 | 0 | 0 | 107.9 | ||||
| 409 | A | 33.3 | Very low | 34.5 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -142.9 | 167.5 | -160.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 410 | L | 38.3 | Very low | 34.5 | Very low | 173 Ų | 173 | 142.8 Ų | 142.8 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | 177.8 | 165.7 | 134.3 | -89.7 | 162.9 | 0 | 0 | 0 | 109.6 | ||||
| 411 | P | 48.5 | Very low | 35.6 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -113.8 | -173.5 | -146.2 | 43.6 | -38.4 | 0 | 0 | 0 | 116.5 | ||||
| 412 | A | 40.5 | Very low | 35.7 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -132.8 | 150.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 413 | A | 38.5 | Very low | 36.9 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -168.9 | 156.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 414 | Q | 36.5 | Very low | 37.2 | Very low | 185 Ų | 185 | 137.9 Ų | 137.9 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | cis | -156.9 | -172.8 | -9.7 | -128.3 | 178.6 | -22.3 | 0 | 0 | 111.8 | ||||
| 415 | L | 36.2 | Very low | 37.1 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | -68 | 159.8 | -165.5 | -81.7 | 70.4 | 0 | 0 | 0 | 119.7 | ||||
| 416 | G | 31.2 | Very low | 37.2 | Very low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 114 | 156.4 | 136.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 417 | Y | 36.4 | Very low | 37.5 | Very low | 202 Ų | 202 | 133.2 Ų | 133.2 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | cis | -168.8 | 154 | -17.1 | -113.8 | -61.9 | 0 | 0 | 0 | 111.2 | ||||
| 418 | L | 32.5 | Very low | 37.4 | Very low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | 72.3 | 118.8 | 150 | -71.7 | 168.7 | 0 | 0 | 0 | 125.3 | ||||
| 419 | S | 31.2 | Very low | 37.6 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | 99 | 147.3 | 121.3 | 70.5 | 0 | 0 | 0 | 0 | 124 | |||||
| 420 | N | 31.3 | Very low | 37.7 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -104.4 | -171.3 | -169.4 | -139.3 | 11.1 | 0 | 0 | 0 | 109.9 | ||||
| 421 | P | 52.9 | Low | 37.5 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | cis | -140.3 | -169.5 | 13.1 | 42.1 | -19.6 | 0 | 0 | 0 | 117.8 | ||||
| 422 | A | 34.4 | Very low | 36.7 | Very low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -100.8 | -152.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 423 | P | 57.7 | Low | 36.7 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | -143 | -179.3 | -3.6 | 45 | -26.6 | 0 | 0 | 0 | 117.5 | ||||
| 424 | Q | 37.2 | Very low | 37 | Very low | 203 Ų | 203 | 137.6 Ų | 137.6 | 95% | 0.949 | 78% | 0.775 | S | S | * | * | trans | 166.9 | 142.7 | 141.2 | -94.2 | 172.8 | 43.8 | 0 | 0 | 109.9 | ||||
| 425 | G | 30.2 | Very low | 37.8 | Very low | 64 Ų | 64 | 134.3 Ų | 134.3 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | cis | -176.3 | 157.1 | -10 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 426 | Y | 36.6 | Very low | 37.6 | Very low | 235 Ų | 235 | 137.9 Ų | 137.9 | 92% | 0.922 | 78% | 0.775 | S | S | * | * | trans | 21.6 | 149.9 | 154.8 | -65.7 | -80.3 | 0 | 0 | 0 | 123.4 | ||||
| 427 | A | 37.5 | Very low | 37.6 | Very low | 94 Ų | 94 | 139 Ų | 139 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | cis | -165.8 | 156.6 | 5.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 428 | G | 32.2 | Very low | 37.4 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | trans | 87 | 141.9 | 152 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 429 | L | 35.8 | Very low | 37.5 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | cis | -142.8 | 126.7 | -10.2 | -65.3 | 168.1 | 0 | 0 | 0 | 106.4 | ||||
| 430 | R | 35.5 | Very low | 37.3 | Very low | 211 Ų | 211 | 137.7 Ų | 137.7 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | 45.6 | 130.5 | 85.4 | -92.7 | -166.3 | 170.9 | -171.3 | -1.8 | 113.8 | |||||
| 431 | L | 33.9 | Very low | 37.3 | Very low | 141 Ų | 141 | 141 Ų | 141 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | cis | -155 | 162 | 21.8 | -87.5 | 123 | 0 | 0 | 0 | 109 | ||||
| 432 | H | 32.8 | Very low | 36.3 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 65% | 0.648 | 77% | 0.773 | S | S | * | * | cis | -163.3 | 143.5 | -17.9 | -150.9 | -117.3 | 0 | 0 | 0 | 109.7 | ||||
| 433 | T | 40.7 | Very low | 36.7 | Very low | 138 Ų | 138 | 147 Ų | 147 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | trans | -133.7 | 130.7 | 168 | -46.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 434 | P | 44.1 | Very low | 35.9 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 60% | 0.604 | 78% | 0.783 | S | S | * | * | trans | -150.6 | 173.6 | 145.2 | 36.9 | -19.7 | 0 | 0 | 0 | 114.1 | ||||
| 435 | P | 52.9 | Low | 36.4 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | cis | -135.8 | 170.1 | -37.4 | 37 | -20.7 | 0 | 0 | 0 | 114.7 | ||||
| 436 | Y | 32 | Very low | 37 | Very low | 219 Ų | 219 | 145.9 Ų | 145.9 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -22 | 157.6 | 141.4 | -74.7 | -86 | 0 | 0 | 0 | 116.9 | ||||
| 437 | S | 31.2 | Very low | 37.6 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | cis | -164.7 | 157.4 | 18.9 | -118.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 438 | L | 33.3 | Very low | 37.4 | Very low | 153 Ų | 153 | 148 Ų | 148 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | 171.2 | 159.2 | 117.6 | -109.3 | 95.8 | 0 | 0 | 0 | 113 | |||||
| 439 | Y | 34.1 | Very low | 37.7 | Very low | 221 Ų | 221 | 153 Ų | 153 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -17.9 | 137.3 | 161.9 | -68.3 | -103.3 | 0 | 0 | 0 | 116.1 | ||||
| 440 | G | 27.9 | Very low | 37.4 | Very low | 68 Ų | 68 | 149.8 Ų | 149.8 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | cis | 117.3 | 141.6 | 43.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 441 | Y | 30.9 | Very low | 37.3 | Very low | 223 Ų | 223 | 145 Ų | 145 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | 72 | 114.4 | 165.2 | -85.5 | -88.6 | 0 | 0 | 0 | 122.8 | ||||
| 442 | T | 30.6 | Very low | 37.3 | Very low | 124 Ų | 124 | 143.5 Ų | 143.5 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | 67.6 | 142.2 | 141.1 | 41.7 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 443 | F | 44.6 | Very low | 38.3 | Very low | 204 Ų | 204 | 141.9 Ų | 141.9 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -73.1 | 147.8 | 177.2 | -62.6 | -95.6 | 0 | 0 | 0 | 114.5 | ||||
| 444 | P | 40.6 | Very low | 38 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -101.8 | 165.1 | 145.8 | -2.9 | 23.8 | 0 | 0 | 0 | 112.5 | ||||
| 445 | P | 47.9 | Very low | 37.5 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -105.5 | -177.3 | -161.6 | 41.2 | -37.4 | 0 | 0 | 0 | 116.3 | ||||
| 446 | S | 42.1 | Very low | 36.6 | Very low | 110 Ų | 110 | 151.3 Ų | 151.3 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -58.3 | 149.2 | -178.5 | -37.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 447 | P | 48.4 | Very low | 36.6 | Very low | 124 Ų | 124 | 145 Ų | 145 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -77.9 | 133.4 | 168 | 31.8 | -33.1 | 0 | 0 | 0 | 112.1 | ||||
| 448 | R | 34.3 | Very low | 36.5 | Very low | 249 Ų | 249 | 147.1 Ų | 147.1 | 94% | 0.94 | 82% | 0.823 | S | S | * | * | trans | -110.4 | 137.6 | 152.2 | -79.6 | -172.7 | 172.4 | -163.5 | -0.8 | 107.9 | ||||
| 449 | L | 37.3 | Very low | 36.5 | Very low | 177 Ų | 177 | 143.9 Ų | 143.9 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | trans | -100.2 | 143.4 | 174.4 | -74 | 169.4 | 0 | 0 | 0 | 111 | ||||
| 450 | A | 29.7 | Very low | 36.3 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -157.5 | 149.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 451 | A | 33.1 | Very low | 36.5 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | 72.8 | 154 | 165.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 452 | S | 34 | Very low | 36.6 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -110.9 | -178.9 | -177.3 | -158.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 453 | P | 54.3 | Low | 36.7 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 69% | 0.688 | 81% | 0.806 | S | S | * | * | -156.9 | 171.3 | 76.8 | 41.8 | -20.7 | 0 | 0 | 0 | 119.1 | |||||
| 454 | D | 35 | Very low | 36.1 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | 52.2 | 124.5 | 144.7 | -60.4 | -24.9 | 0 | 0 | 0 | 125.1 | ||||
| 455 | K | 34.1 | Very low | 35.7 | Very low | 209 Ų | 209 | 134.9 Ų | 134.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | -169.7 | 157.8 | 98.2 | -106.8 | -179.7 | 179.3 | 179 | 0 | 116 | |||||
| 456 | M | 32.8 | Very low | 35 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 94% | 0.941 | 80% | 0.795 | S | S | * | * | trans | -73.9 | 171.7 | 171.2 | -62.1 | 170.5 | 156.7 | 0 | 0 | 112 | ||||
| 457 | A | 32.7 | Very low | 35.5 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | -146 | -172.6 | 15 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 458 | T | 30 | Very low | 34.8 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | cis | -155.2 | 169.2 | 17.9 | -33.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 459 | A | 32.1 | Very low | 34.6 | Very low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | -71.9 | 170.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 460 | T | 29.7 | Very low | 34.2 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | cis | -133.3 | -161.1 | 24.8 | 53 | 0 | 0 | 0 | 0 | 112 | ||||
| 461 | T | 31.4 | Very low | 34.2 | Very low | 131 Ų | 131 | 128 Ų | 128 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -160.3 | 178.9 | 17.1 | -19.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 462 | A | 34.1 | Very low | 34.5 | Very low | 86 Ų | 86 | 128.1 Ų | 128.1 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -53.4 | 168.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 463 | S | 31.8 | Very low | 35.3 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | cis | -172.5 | 171.6 | -12.6 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 464 | H | 33.2 | Very low | 34.7 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 73% | 0.731 | 78% | 0.779 | S | S | * | * | trans | 68.3 | 136.1 | 150.7 | -85.2 | -67.6 | 0 | 0 | 0 | 124.2 | ||||
| 465 | Q | 31.6 | Very low | 34.5 | Very low | 174 Ų | 174 | 126.4 Ų | 126.4 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 82.4 | 128 | 138.5 | -74.7 | 173.2 | 80.4 | 0 | 0 | 122.5 | ||||
| 466 | S | 33 | Very low | 34.7 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -89.8 | -170.5 | 155.5 | 60.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 467 | P | 53.9 | Low | 34.8 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | cis | -145.2 | -165.4 | 9.5 | 26.7 | 2.2 | 0 | 0 | 0 | 116.6 | ||||
| 468 | F | 32.1 | Very low | 35 | Very low | 170 Ų | 170 | 123 Ų | 123 | 75% | 0.746 | 77% | 0.768 | S | S | * | * | trans | 86.3 | 135.4 | 148.8 | -88.3 | -60.2 | 0 | 0 | 0 | 123.9 | ||||
| 469 | H | 31.5 | Very low | 35.1 | Very low | 175 Ų | 175 | 123.4 Ų | 123.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | 57.9 | 156.2 | 158.8 | -60.5 | -62.5 | 0 | 0 | 0 | 118.9 | ||||
| 470 | G | 27.7 | Very low | 35.3 | Very low | 63 Ų | 63 | 123.9 Ų | 123.9 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | cis | 162 | 157.9 | -10.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 471 | S | 31.1 | Very low | 35.5 | Very low | 130 Ų | 130 | 126 Ų | 126 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | 72.9 | 150.5 | 163.7 | -56.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 472 | S | 37.9 | Very low | 35.5 | Very low | 112 Ų | 112 | 122.9 Ų | 122.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -88.6 | 176.5 | 167.3 | -45.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 473 | P | 51.5 | Low | 35.5 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | -138.2 | 176.3 | 127.6 | 39 | -28.1 | 0 | 0 | 0 | 114.5 | |||||
| 474 | S | 40.9 | Very low | 35.7 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | -129.7 | 158.8 | 177.2 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 475 | G | 31.9 | Very low | 35.5 | Very low | 67 Ų | 67 | 124.3 Ų | 124.3 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | 112.1 | 164.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 476 | T | 37.5 | Very low | 35.4 | Very low | 127 Ų | 127 | 120.2 Ų | 120.2 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | cis | -172.7 | 145.2 | -12.9 | 3.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 477 | L | 35.5 | Very low | 35.3 | Very low | 163 Ų | 163 | 118.8 Ų | 118.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 64.5 | 162.1 | 163.7 | -57.4 | 166.7 | 0 | 0 | 0 | 115.5 | ||||
| 478 | T | 37.3 | Very low | 34.3 | Very low | 124 Ų | 124 | 122.4 Ų | 122.4 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | cis | -138.8 | 179.8 | -9.7 | 20 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 479 | D | 31.2 | Very low | 34.3 | Very low | 147 Ų | 147 | 123.1 Ų | 123.1 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | cis | -157.2 | -162.4 | 29.1 | -159.1 | -4.3 | 0 | 0 | 0 | 112.9 | ||||
| 480 | S | 36.7 | Very low | 34.3 | Very low | 96 Ų | 96 | 117.8 Ų | 117.8 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -103.6 | -175 | -161.2 | -42.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 481 | L | 34.1 | Very low | 34.4 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | cis | -170.4 | 162 | 34.2 | -132.3 | 171.5 | 0 | 0 | 0 | 110.5 | V483 | L481-V483 HydrophobicContact CD2-CG2 4.07Š| ||
| 482 | G | 31.9 | Very low | 34.6 | Very low | 66 Ų | 66 | 124.9 Ų | 124.9 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | trans | 121.6 | 107.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 483 | V | 34.3 | Very low | 34.5 | Very low | 123 Ų | 123 | 129 Ų | 129 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | cis | 75.5 | 111.2 | 20.8 | -173.4 | 0 | 0 | 0 | 0 | 111.3 | L481 | L481-V483 HydrophobicContact CD2-CG2 4.07Š| ||
| 484 | L | 34.9 | Very low | 33.4 | Very low | 170 Ų | 170 | 130 Ų | 130 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | cis | -133.8 | 179.6 | 14.7 | -67.6 | 164.4 | 0 | 0 | 0 | 111 | ||||
| 485 | G | 29.3 | Very low | 33 | Very low | 77 Ų | 77 | 128.7 Ų | 128.7 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | cis | 140.2 | 103.1 | -9.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 486 | G | 29.7 | Very low | 33.2 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | 99.3 | 156.4 | 169 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 487 | G | 29.8 | Very low | 33.2 | Very low | 72 Ų | 72 | 137.7 Ų | 137.7 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | cis | 169.2 | 157.5 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 488 | Q | 33.9 | Very low | 33.2 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | trans | 70.5 | 128.2 | 176.4 | -67.5 | -178.4 | 1 | 0 | 0 | 116.3 | ||||
| 489 | Q | 32.1 | Very low | 32.9 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | 64 | 133.2 | 73.9 | -62.4 | 179.4 | 53.5 | 0 | 0 | 113.8 | |||||
| 490 | G | 30.8 | Very low | 33 | Very low | 64 Ų | 64 | 135.5 Ų | 135.5 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | cis | 168.8 | 164.9 | -7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 491 | F | 30.5 | Very low | 32.8 | Very low | 196 Ų | 196 | 135.1 Ų | 135.1 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | 65.1 | 126.4 | 166 | -65.2 | -79.6 | 0 | 0 | 0 | 122.7 | ||||
| 492 | L | 34.1 | Very low | 32.6 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | 44.7 | 123.7 | 132.8 | -63.9 | 172.5 | 0 | 0 | 0 | 123.7 | ||||
| 493 | F | 36.8 | Very low | 32.6 | Very low | 197 Ų | 197 | 133.9 Ų | 133.9 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | 39.3 | 115.8 | 128.2 | -101.6 | -78.5 | 0 | 0 | 0 | 121.6 | |||||
| 494 | D | 28.5 | Very low | 32.7 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | trans | -163.2 | 158.3 | 150.2 | -135 | 12.3 | 0 | 0 | 0 | 107.9 | ||||
| 495 | S | 31.9 | Very low | 33.8 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 82% | 0.817 | S | S | * | * | cis | -153.2 | -173.2 | -19.4 | -140.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 496 | R | 35.6 | Very low | 33.9 | Very low | 239 Ų | 239 | 134.9 Ų | 134.9 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | trans | -87 | 154.4 | 176.6 | -62.9 | 171.1 | 174.5 | 163.7 | -3.7 | 113 | ||||
| 497 | T | 38 | Very low | 34.1 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | -129.4 | 143.9 | 160 | -46.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 498 | L | 36.3 | Very low | 34.2 | Very low | 175 Ų | 175 | 135.3 Ų | 135.3 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -92.2 | 164.9 | 179 | -62.3 | 148.4 | 0 | 0 | 0 | 109.7 | ||||
| 499 | G | 31.3 | Very low | 34.2 | Very low | 60 Ų | 60 | 131.5 Ų | 131.5 | 62% | 0.619 | 82% | 0.822 | S | S | * | * | cis | 166.1 | -163.3 | 2.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 500 | V | 32.4 | Very low | 34.3 | Very low | 153 Ų | 153 | 128 Ų | 128 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | trans | 72.4 | 155.8 | 169.4 | -168.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 501 | A | 32.3 | Very low | 34.5 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | -167.5 | 142.6 | -56.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 502 | G | 29.9 | Very low | 34.8 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 72.9 | 167.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 503 | S | 32.2 | Very low | 34.7 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | cis | -159.2 | 163.2 | -16.7 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 504 | Q | 37 | Very low | 34.8 | Very low | 184 Ų | 184 | 123.6 Ų | 123.6 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -68.9 | 179.7 | 164.3 | -85.4 | -174.6 | -26.7 | 0 | 0 | 111.6 | ||||
| 505 | P | 57.9 | Low | 35.2 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | cis | -134.5 | -167.1 | 6.4 | 43 | -25.2 | 0 | 0 | 0 | 115 | ||||
| 506 | G | 31.2 | Very low | 35.6 | Very low | 80 Ų | 80 | 127.4 Ų | 127.4 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 169.3 | 140.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 507 | G | 34 | Very low | 36.3 | Very low | 86 Ų | 86 | 123.2 Ų | 123.2 | 89% | 0.887 | 85% | 0.847 | S | S | * | * | trans | -172.6 | 153.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 508 | G | 31.9 | Very low | 36.2 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | trans | 91.8 | 119.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 509 | A | 33.8 | Very low | 36.2 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 80% | 0.802 | 84% | 0.842 | S | S | * | * | trans | 165.6 | 153.4 | 134.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 510 | S | 35 | Very low | 36.4 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | trans | 35.3 | 120.2 | 155.8 | -59.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 511 | Q | 33.6 | Very low | 36.7 | Very low | 178 Ų | 178 | 120.9 Ų | 120.9 | 83% | 0.832 | 85% | 0.85 | S | S | * | * | 88.4 | 119.2 | 58.7 | -83.1 | -156.4 | -2.4 | 0 | 0 | 116.4 | |||||
| 512 | V | 36.5 | Very low | 36.9 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 73% | 0.733 | 86% | 0.857 | S | S | * | * | trans | 54.8 | 106.9 | 134.5 | -170 | 0 | 0 | 0 | 0 | 121 | ||||
| 513 | T | 33.2 | Very low | 37.4 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 83% | 0.828 | 86% | 0.858 | S | S | * | * | trans | -152.3 | 128.2 | 134.9 | 1.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 514 | A | 39.2 | Very low | 37.8 | Very low | 78 Ų | 78 | 125.8 Ų | 125.8 | 65% | 0.645 | 86% | 0.857 | S | S | * | * | 55.2 | 123.2 | 52 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 515 | H | 37.1 | Very low | 37.8 | Very low | 161 Ų | 161 | 121.3 Ų | 121.3 | 75% | 0.745 | 86% | 0.857 | S | S | * | * | cis | -159.5 | -172.5 | 45.9 | -152.8 | -111.4 | 0 | 0 | 0 | 112.1 | ||||
| 516 | M | 38.5 | Very low | 36.2 | Very low | 170 Ų | 170 | 120.8 Ų | 120.8 | 84% | 0.837 | 86% | 0.86 | S | S | * | * | trans | -24.9 | 150.8 | 174.8 | -68.1 | 165.3 | 175.5 | 0 | 0 | 119 | ||||
| 517 | G | 50.1 | Low | 36.6 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 100% | 1.557 | 86% | 0.863 | S | S | * | * | cis | 162 | 0 | 2.1 | 0 | 0 | 0 | 0 | 0 | 112.4 |
Retrieved 517 of 517 residues in 86.4 ms
(Link to these results)