| 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 | 42.5 | Very low | 45.7 | Very low | 239 Ų | 239 | 139.2 Ų | 139.2 | 100% | 1.177 | 77% | 0.768 | S | S | * | * | 0 | 129.6 | 0 | -67.6 | 177.1 | 176.2 | 0 | 0 | 106.7 | |||||
| 2 | L | 40 | Very low | 45.6 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | cis | -126.8 | 179.7 | 7.5 | -73.1 | 172.1 | 0 | 0 | 0 | 112.7 | ||||
| 3 | N | 41.6 | Very low | 45.8 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | trans | -73.5 | 145 | -167.4 | -58.8 | -26.9 | 0 | 0 | 0 | 114.8 | ||||
| 4 | F | 43.8 | Very low | 45.6 | Very low | 222 Ų | 222 | 133.4 Ų | 133.4 | 97% | 0.974 | 73% | 0.731 | S | S | * | * | trans | -134 | 30.9 | 154 | -98.1 | -78.4 | 0 | 0 | 0 | 112 | ||||
| 5 | G | 48.8 | Very low | 45.9 | Very low | 70 Ų | 70 | 138.5 Ų | 138.5 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | -105.2 | 14.5 | -170 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 6 | A | 49.8 | Very low | 46.1 | Very low | 76 Ų | 76 | 140 Ų | 140 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -107.1 | -24.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 7 | S | 48.6 | Very low | 46 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -13.6 | -164.1 | -166.1 | 0 | 0 | 0 | 0 | 116.1 | ||
| 8 | L | 46.8 | Very low | 45.7 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -13.7 | -174.9 | -90.5 | 165.6 | 0 | 0 | 0 | 114.4 | T11 | L8-T11 PolarHBondContact O-OG1 3.48Š|
| 9 | Q | 46.8 | Very low | 45.8 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -37.8 | -173.9 | -160.6 | 158.6 | -2.3 | 0 | 0 | 112.4 | T11 A12 E13 | Q9-T11 VanDerWaalsContact C-N 3.32Å; Q9-T11 PolarHBondContact O-N 3.42Å; Q9-A12 WeakPolarHBondContact O-CB 3.42Å; Q9-A12 PolarHBondContact O-N 3.26Å; Q9-A12 VanDerWaalsContact O-N 3.07Å; Q9-E13 PolarHBondContact O-N 3.48Å |
| 10 | Q | 47.1 | Very low | 45.8 | Very low | 148 Ų | 148 | 141.1 Ų | 141.1 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -59.6 | -40.5 | 174.7 | -71.5 | -177.6 | -38.4 | 0 | 0 | 112.4 | A12 E13 E14 | Q10-A12 PolarHBondContact O-N 3.21Å; Q10-A12 VanDerWaalsContact O-N 3.15Å; Q10-E13 PolarHBondContact O-N 3.07Å; Q10-E14 WeakPolarHBondContact O-CB 3.07Å; Q10-E14 PolarHBondContact O-N 3.47Å |
| 11 | T | 47.2 | Very low | 45.7 | Very low | 80 Ų | 80 | 143 Ų | 143 | 49% | 0.491 | 75% | 0.745 | S | S | . | * | H | α-helix | trans | -65.1 | -14 | 176.6 | 42.8 | 0 | 0 | 0 | 0 | 114.7 | L8 Q9 | L8-T11 PolarHBondContact O-OG1 3.48Å; Q9-T11 VanDerWaalsContact C-N 3.32Å; Q9-T11 PolarHBondContact O-N 3.42Å |
| 12 | A | 44.8 | Very low | 45.4 | Very low | 60 Ų | 60 | 143 Ų | 143 | 50% | 0.496 | 73% | 0.732 | S | S | . | * | H | α-helix | trans | -92.1 | -45.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q9 Q10 R15 M16 | Q9-A12 WeakPolarHBondContact O-CB 3.42Å; Q9-A12 PolarHBondContact O-N 3.26Å; Q9-A12 VanDerWaalsContact O-N 3.07Å; Q10-A12 PolarHBondContact O-N 3.21Å; Q10-A12 VanDerWaalsContact O-N 3.15Å; A12-R15 PolarHBondContact O-N 3.42Å; A12-M16 PolarHBondContact O-N 3Å |
| 13 | E | 47.6 | Very low | 45.3 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -68.3 | -38.7 | -178.4 | -66.1 | -170.8 | 141.6 | 0 | 0 | 112.8 | Q9 Q10 R15 M16 K17 | Q9-E13 PolarHBondContact O-N 3.48Å; Q10-E13 PolarHBondContact O-N 3.07Å; E13-R15 VanDerWaalsContact C-N 3.28Å; E13-R15 PolarHBondContact O-N 3.42Å; E13-M16 PolarHBondContact O-N 3.44Å; E13-K17 PolarHBondContact O-N 3.14Å |
| 14 | E | 43.3 | Very low | 45.5 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -60.5 | -38.1 | 177 | -171.4 | 175.4 | -163.7 | 0 | 0 | 111.9 | Q10 M16 | Q10-E14 WeakPolarHBondContact O-CB 3.07Å; Q10-E14 PolarHBondContact O-N 3.47Å; E14-M16 VanDerWaalsContact C-N 3.33Å; E14-M16 PolarHBondContact O-N 3.37Å |
| 15 | R | 50.4 | Low | 45.5 | Very low | 210 Ų | 210 | 142.5 Ų | 142.5 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -72.7 | -21.9 | 175.7 | -78.6 | -174.2 | 169.6 | 177.9 | -1 | 114.1 | A12 E13 | A12-R15 PolarHBondContact O-N 3.42Å; E13-R15 VanDerWaalsContact C-N 3.28Å; E13-R15 PolarHBondContact O-N 3.42Å |
| 16 | M | 48.7 | Very low | 44.9 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 80% | 0.798 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -94.4 | -14.2 | 179 | -152.4 | 156.2 | -167.4 | 0 | 0 | 113.3 | A12 E13 E14 | A12-M16 PolarHBondContact O-N 3Å; E13-M16 PolarHBondContact O-N 3.44Å; E14-M16 VanDerWaalsContact C-N 3.33Å; E14-M16 PolarHBondContact O-N 3.37Å |
| 17 | K | 44.6 | Very low | 44.1 | Very low | 178 Ų | 178 | 148.6 Ų | 148.6 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -85.2 | -22.6 | 174.4 | -134.4 | 170.9 | -173.7 | 175.3 | 0 | 114.1 | E13 I19 | E13-K17 PolarHBondContact O-N 3.14Å; K17-I19 PolarHBondContact O-N 3.48Å |
| 18 | M | 41.1 | Very low | 43.4 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 17.9 | 178.1 | -81.4 | -90.5 | -81.3 | 0 | 0 | 115 | ||
| 19 | I | 47.5 | Very low | 42.8 | Very low | 150 Ų | 150 | 152.5 Ų | 152.5 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | -8.8 | 178.1 | -61.6 | 179.5 | 0 | 0 | 0 | 112 | K17 | K17-I19 PolarHBondContact O-N 3.48Š|
| 20 | S | 44.8 | Very low | 42.2 | Very low | 86 Ų | 86 | 157.3 Ų | 157.3 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -101.5 | 144.7 | 170.8 | -162.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 21 | E | 44.1 | Very low | 42.1 | Very low | 181 Ų | 181 | 156 Ų | 156 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | 66.2 | 78.9 | 172.2 | -57.2 | -170.7 | -164.3 | 0 | 0 | 118 | ||||
| 22 | R | 37 | Very low | 41.8 | Very low | 239 Ų | 239 | 161.1 Ų | 161.1 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -132 | 156.3 | 133.8 | -76.3 | -161.6 | 176.3 | -172 | -1 | 110.7 | ||||
| 23 | P | 37.5 | Very low | 41.5 | Very low | 118 Ų | 118 | 163.7 Ų | 163.7 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -73.7 | 152.1 | -160.4 | -20.4 | 34.5 | 0 | 0 | 0 | 115.4 | E25 | P23-E25 PolarHBondContact O-N 3.27Š| ||
| 24 | K | 44.9 | Very low | 41 | Very low | 221 Ų | 221 | 159.8 Ų | 159.8 | 96% | 0.961 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -82.7 | 53.1 | 176.1 | -66.8 | 179.4 | 178.4 | 172.8 | 0 | 112.5 | ||
| 25 | E | 43.8 | Very low | 40.9 | Very low | 179 Ų | 179 | 159.9 Ų | 159.9 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -147.5 | 65.3 | -173 | -150.1 | 162.3 | -134.2 | 0 | 0 | 113.7 | P23 | P23-E25 PolarHBondContact O-N 3.27Š| ||
| 26 | S | 36.9 | Very low | 40.3 | Very low | 110 Ų | 110 | 157 Ų | 157 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -178.2 | 79.9 | 156.2 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 27 | M | 32.3 | Very low | 40.2 | Very low | 164 Ų | 164 | 152.2 Ų | 152.2 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | trans | -153.5 | 28.5 | 161.5 | -141.9 | 166.6 | 71.4 | 0 | 0 | 115.5 | ||||
| 28 | Y | 34.8 | Very low | 40.2 | Very low | 242 Ų | 242 | 148.9 Ų | 148.9 | 95% | 0.949 | 74% | 0.738 | S | S | * | * | trans | -125.9 | 66 | 172.2 | -78 | -70.7 | 0 | 0 | 0 | 111.6 | ||||
| 29 | S | 34.1 | Very low | 40.3 | Very low | 95 Ų | 95 | 148.2 Ų | 148.2 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | trans | -131.6 | 38.6 | 172.1 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 30 | W | 34.1 | Very low | 40.3 | Very low | 237 Ų | 237 | 147 Ų | 147 | 90% | 0.898 | 72% | 0.722 | S | S | * | * | trans | -78.6 | 146.7 | 170 | -83.8 | 47.4 | 0 | 0 | 0 | 110.8 | K32 | W30-K32 PolarHBondContact O-N 2.72Š| ||
| 31 | N | 43.9 | Very low | 40.4 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 65% | 0.647 | 71% | 0.713 | S | S | * | * | trans | -75.7 | 98.6 | -157.2 | -68.2 | -37 | 0 | 0 | 0 | 113.8 | T33 A34 | N31-T33 PolarHBondContact O-N 2.86Å; N31-A34 PolarHBondContact O-N 3.23Å | ||
| 32 | K | 41.2 | Very low | 40.5 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 81% | 0.809 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -2.5 | 175.7 | -159.1 | 170.1 | -175.6 | 175.1 | 0 | 115.1 | W30 | W30-K32 PolarHBondContact O-N 2.72Š|
| 33 | T | 38.5 | Very low | 40.9 | Very low | 114 Ų | 114 | 135 Ų | 135 | 70% | 0.699 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -28.1 | 173 | 39.6 | 0 | 0 | 0 | 0 | 113.8 | N31 | N31-T33 PolarHBondContact O-N 2.86Š|
| 34 | A | 38.2 | Very low | 41.5 | Very low | 49 Ų | 49 | 131.9 Ų | 131.9 | 41% | 0.405 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -77.3 | -42.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N31 K36 S37 D38 | N31-A34 PolarHBondContact O-N 3.23Å; A34-K36 PolarHBondContact O-N 3.48Å; A34-K36 VanDerWaalsContact O-N 3.12Å; A34-S37 PolarHBondContact O-N 2.91Å; A34-S37 PolarHBondContact O-OG 2.85Å; A34-D38 PolarHBondContact O-N 3.13Å |
| 35 | E | 40.1 | Very low | 41.6 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 70% | 0.696 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -61.1 | -25.1 | 178.2 | -63.2 | -176.7 | 128.9 | 0 | 0 | 112.5 | F39 | E35-F39 WeakPolarHBondContact O-CB 3.42Å; E35-F39 PolarHBondContact O-N 2.62Å; E35-F39 VanDerWaalsContact O-N 3.11Å |
| 36 | K | 38.7 | Very low | 41.5 | Very low | 149 Ų | 149 | 124.8 Ų | 124.8 | 65% | 0.648 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.2 | -41.9 | 178.3 | -166 | 173.6 | 179.4 | -175.4 | 0 | 112.5 | A34 D38 F39 E40 | A34-K36 PolarHBondContact O-N 3.48Å; A34-K36 VanDerWaalsContact O-N 3.12Å; K36-D38 VanDerWaalsContact C-N 3.3Å; K36-D38 PolarHBondContact O-N 2.82Å; K36-F39 PolarHBondContact O-N 2.97Å; K36-E40 VanDerWaalsContact O-CB 3.3Å; K36-E40 WeakPolarHBondContact O-CB 3.4Å; K36-E40 PolarHBondContact O-N 2.96Å |
| 37 | S | 46 | Very low | 41.8 | Very low | 62 Ų | 62 | 123.2 Ų | 123.2 | 43% | 0.434 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.7 | -34.6 | 174.9 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | A34 A41 | A34-S37 PolarHBondContact O-N 2.91Å; A34-S37 PolarHBondContact O-OG 2.85Å; S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 2.8Å |
| 38 | D | 44.4 | Very low | 42.2 | Very low | 108 Ų | 108 | 123 Ų | 123 | 58% | 0.578 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.4 | -37.1 | 178.3 | -70.2 | -0.6 | 0 | 0 | 0 | 111.5 | A34 K36 V42 | A34-D38 PolarHBondContact O-N 3.13Å; K36-D38 VanDerWaalsContact C-N 3.3Å; K36-D38 PolarHBondContact O-N 2.82Å; D38-V42 VanDerWaalsContact O-CG2 3.32Å; D38-V42 WeakPolarHBondContact O-CG2 3.43Å; D38-V42 PolarHBondContact O-N 3.09Å |
| 39 | F | 43.2 | Very low | 42.8 | Very low | 153 Ų | 153 | 114.6 Ų | 114.6 | 67% | 0.671 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.7 | -43.9 | 174.1 | -150.5 | -87.4 | 0 | 0 | 0 | 111.9 | E35 K36 A41 V42 E43 | E35-F39 WeakPolarHBondContact O-CB 3.42Å; E35-F39 PolarHBondContact O-N 2.62Å; E35-F39 VanDerWaalsContact O-N 3.11Å; K36-F39 PolarHBondContact O-N 2.97Å; F39-A41 VanDerWaalsContact C-N 3.35Å; F39-A41 PolarHBondContact O-N 3.2Å; F39-V42 PolarHBondContact O-N 2.96Å; F39-E43 WeakPolarHBondContact O-CB 3.22Å; F39-E43 PolarHBondContact O-N 3.08Å |
| 40 | E | 47.3 | Very low | 43.2 | Very low | 125 Ų | 125 | 114.4 Ų | 114.4 | 58% | 0.584 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.3 | -36 | 177.1 | -169.4 | 164 | -151.9 | 0 | 0 | 111.8 | K36 E43 A44 | K36-E40 VanDerWaalsContact O-CB 3.3Å; K36-E40 WeakPolarHBondContact O-CB 3.4Å; K36-E40 PolarHBondContact O-N 2.96Å; E40-E43 PolarHBondContact O-N 2.87Å; E40-A44 VanDerWaalsContact O-CB 3.3Å; E40-A44 WeakPolarHBondContact O-CB 3.3Å; E40-A44 PolarHBondContact O-N 3.08Å |
| 41 | A | 46.8 | Very low | 43.6 | Very low | 50 Ų | 50 | 105.9 Ų | 105.9 | 41% | 0.413 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.6 | -37.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | S37 F39 L45 | S37-A41 WeakPolarHBondContact O-CB 3.45Å; S37-A41 PolarHBondContact O-N 2.8Å; F39-A41 VanDerWaalsContact C-N 3.35Å; F39-A41 PolarHBondContact O-N 3.2Å; A41-L45 WeakPolarHBondContact O-CB 3.5Å; A41-L45 PolarHBondContact O-N 3.18Å |
| 42 | V | 47.7 | Very low | 43.6 | Very low | 85 Ų | 85 | 108.5 Ų | 108.5 | 52% | 0.515 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.4 | -39.7 | 174.4 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | D38 F39 L45 M46 | D38-V42 VanDerWaalsContact O-CG2 3.32Å; D38-V42 WeakPolarHBondContact O-CG2 3.43Å; D38-V42 PolarHBondContact O-N 3.09Å; F39-V42 PolarHBondContact O-N 2.96Å; V42-L45 PolarHBondContact O-N 2.88Å; V42-M46 WeakPolarHBondContact O-CG 3.47Å; V42-M46 PolarHBondContact O-N 2.97Å |
| 43 | E | 44.3 | Very low | 43.6 | Very low | 119 Ų | 119 | 107.7 Ų | 107.7 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66 | -40.3 | 175.4 | -173.8 | 162 | -146.3 | 0 | 0 | 111.9 | F39 E40 M46 S47 | F39-E43 WeakPolarHBondContact O-CB 3.22Å; F39-E43 PolarHBondContact O-N 3.08Å; E40-E43 PolarHBondContact O-N 2.87Å; E43-M46 PolarHBondContact O-N 3.38Å; E43-S47 WeakPolarHBondContact O-CB 3.38Å; E43-S47 PolarHBondContact O-N 2.76Å; E43-S47 PolarHBondContact O-OG 3.34Å |
| 44 | A | 49.4 | Very low | 44.1 | Very low | 51 Ų | 51 | 105.4 Ų | 105.4 | 42% | 0.421 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.4 | -45.4 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | E40 M46 S47 M48 | E40-A44 VanDerWaalsContact O-CB 3.3Å; E40-A44 WeakPolarHBondContact O-CB 3.3Å; E40-A44 PolarHBondContact O-N 3.08Å; A44-M46 VanDerWaalsContact C-N 3.31Å; A44-M46 PolarHBondContact O-N 2.94Å; A44-S47 PolarHBondContact O-N 3.35Å; A44-M48 WeakPolarHBondContact O-CB 3.18Å; A44-M48 WeakPolarHBondContact O-CG 3.43Å; A44-M48 PolarHBondContact O-N 3.4Å |
| 45 | L | 48.4 | Very low | 44.5 | Very low | 128 Ų | 128 | 106.8 Ų | 106.8 | 67% | 0.67 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.1 | -37 | 175.4 | -97.2 | 156.3 | 0 | 0 | 0 | 112.8 | A41 V42 S49 | A41-L45 WeakPolarHBondContact O-CB 3.5Å; A41-L45 PolarHBondContact O-N 3.18Å; V42-L45 PolarHBondContact O-N 2.88Å; L45-S49 PolarHBondContact O-N 3.07Å |
| 46 | M | 40.9 | Very low | 44.8 | Very low | 124 Ų | 124 | 105.8 Ų | 105.8 | 61% | 0.611 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.3 | -45.8 | 174.2 | -72.3 | -67.5 | 160 | 0 | 0 | 111.4 | V42 E43 A44 M48 S49 C50 | V42-M46 WeakPolarHBondContact O-CG 3.47Å; V42-M46 PolarHBondContact O-N 2.97Å; E43-M46 PolarHBondContact O-N 3.38Å; A44-M46 VanDerWaalsContact C-N 3.31Å; A44-M46 PolarHBondContact O-N 2.94Å; M46-M48 PolarHBondContact O-N 3.47Å; M46-S49 WeakPolarHBondContact O-CB 3.39Å; M46-S49 PolarHBondContact O-N 3.3Å; M46-S49 PolarHBondContact O-OG 3.06Å; M46-C50 PolarHBondContact O-SG 3.2Å |
| 47 | S | 44.3 | Very low | 45.4 | Very low | 76 Ų | 76 | 104.6 Ų | 104.6 | 53% | 0.531 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.4 | -43.1 | 177.8 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | E43 A44 S49 C50 | E43-S47 WeakPolarHBondContact O-CB 3.38Å; E43-S47 PolarHBondContact O-N 2.76Å; E43-S47 PolarHBondContact O-OG 3.34Å; A44-S47 PolarHBondContact O-N 3.35Å; S47-S49 PolarHBondContact O-N 3.15Å; S47-S49 VanDerWaalsContact O-N 3.16Å; S47-C50 PolarHBondContact O-N 3.48Å; S47-C50 VanDerWaalsContact O-N 3.1Å |
| 48 | M | 39.1 | Very low | 45.7 | Very low | 161 Ų | 161 | 107.8 Ų | 107.8 | 79% | 0.793 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -15.9 | 175.1 | -68.9 | -71.1 | -77.3 | 0 | 0 | 113.4 | A44 M46 | A44-M48 WeakPolarHBondContact O-CB 3.18Å; A44-M48 WeakPolarHBondContact O-CG 3.43Å; A44-M48 PolarHBondContact O-N 3.4Å; M46-M48 PolarHBondContact O-N 3.47Å |
| 49 | S | 47.8 | Very low | 46.1 | Very low | 65 Ų | 65 | 111.3 Ų | 111.3 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88 | -11.4 | 175.3 | 83.1 | 0 | 0 | 0 | 0 | 114.1 | L45 M46 S47 | L45-S49 PolarHBondContact O-N 3.07Å; M46-S49 WeakPolarHBondContact O-CB 3.39Å; M46-S49 PolarHBondContact O-N 3.3Å; M46-S49 PolarHBondContact O-OG 3.06Å; S47-S49 PolarHBondContact O-N 3.15Å; S47-S49 VanDerWaalsContact O-N 3.16Å |
| 50 | C | 42.3 | Very low | 46.8 | Very low | 90 Ų | 90 | 108.6 Ų | 108.6 | 61% | 0.608 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -27.3 | -172 | -70 | 0 | 0 | 0 | 0 | 114.8 | M46 S47 W52 | M46-C50 PolarHBondContact O-SG 3.2Å; S47-C50 PolarHBondContact O-N 3.48Å; S47-C50 VanDerWaalsContact O-N 3.1Å; C50-W52 PolarHBondContact O-N 3.07Å |
| 51 | S | 43.8 | Very low | 47.2 | Very low | 59 Ų | 59 | 108.1 Ų | 108.1 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.8 | -33.7 | -173.1 | 85.5 | 0 | 0 | 0 | 0 | 113.7 | K53 S54 D55 | S51-K53 PolarHBondContact O-N 3.37Å; S51-S54 PolarHBondContact O-N 3.23Å; S51-S54 PolarHBondContact O-OG 3.03Å; S51-D55 WeakPolarHBondContact CB-OD2 3.24Å; S51-D55 VanDerWaalsContact O-CG 3.28Å; S51-D55 PolarHBondContact O-N 3.06Å; S51-D55 VanDerWaalsContact O-OD2 3.05Å; S51-D55 PolarHBondContact OG-OD2 3.22Å |
| 52 | W | 43.1 | Very low | 47 | Very low | 176 Ų | 176 | 112 Ų | 112 | 67% | 0.667 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59 | -25.2 | -167.6 | 91.9 | -76.1 | 0 | 0 | 0 | 113.9 | C50 F56 | C50-W52 PolarHBondContact O-N 3.07Å; W52-F56 WeakPolarHBondContact O-CB 3.49Å; W52-F56 PolarHBondContact O-N 3.41Å |
| 53 | K | 40.8 | Very low | 46.8 | Very low | 168 Ų | 168 | 117.6 Ų | 117.6 | 73% | 0.73 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -75 | -36.3 | 177.8 | -128 | 179.5 | -177.9 | -177.7 | 0 | 112.6 | S51 K57 | S51-K53 PolarHBondContact O-N 3.37Å; K53-K57 PolarHBondContact O-N 3.48Å |
| 54 | S | 49.5 | Very low | 46.4 | Very low | 67 Ų | 67 | 117.4 Ų | 117.4 | 47% | 0.469 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -74.8 | -38 | 169.7 | 31.8 | 0 | 0 | 0 | 0 | 111.9 | S51 K57 K58 | S51-S54 PolarHBondContact O-N 3.23Å; S51-S54 PolarHBondContact O-OG 3.03Å; S54-K57 PolarHBondContact O-N 2.79Å; S54-K58 PolarHBondContact O-N 3.22Å |
| 55 | D | 45.6 | Very low | 46.2 | Very low | 77 Ų | 77 | 121.4 Ų | 121.4 | 41% | 0.412 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69 | -40.3 | -179.7 | -58.4 | -37.4 | 0 | 0 | 0 | 111.3 | S51 K57 K58 Y59 | S51-D55 WeakPolarHBondContact CB-OD2 3.24Å; S51-D55 VanDerWaalsContact O-CG 3.28Å; S51-D55 PolarHBondContact O-N 3.06Å; S51-D55 VanDerWaalsContact O-OD2 3.05Å; S51-D55 PolarHBondContact OG-OD2 3.22Å; D55-K57 VanDerWaalsContact C-N 3.33Å; D55-K57 PolarHBondContact O-N 3.28Å; D55-K58 PolarHBondContact O-N 3.04Å; D55-Y59 VanDerWaalsContact O-CB 3.3Å; D55-Y59 WeakPolarHBondContact O-CB 3.3Å; D55-Y59 PolarHBondContact O-N 2.88Å |
| 56 | F | 48.3 | Very low | 45.4 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 56% | 0.561 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -64.3 | -35.2 | 172.3 | -171.1 | -96.2 | 0 | 0 | 0 | 112.3 | W52 Y59 V60 | W52-F56 WeakPolarHBondContact O-CB 3.49Å; W52-F56 PolarHBondContact O-N 3.41Å; F56-Y59 PolarHBondContact O-N 3.22Å; F56-V60 HydrophobicContact CD1-CG2 4.4Å; F56-V60 HydrophobicContact CE1-CG2 4.09Å; F56-V60 HydrophobicContact CZ-CG2 4.41Å; F56-V60 WeakPolarHBondContact O-CG2 3.36Å; F56-V60 PolarHBondContact O-N 3.05Å; F56-V60 VanDerWaalsContact O-N 3.1Å |
| 57 | K | 51.3 | Low | 45.2 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 54% | 0.539 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.1 | -48.9 | 174.3 | -162 | -172.5 | -176.4 | -109.5 | 0 | 111.1 | K53 S54 D55 Y59 V60 E61 | K53-K57 PolarHBondContact O-N 3.48Å; S54-K57 PolarHBondContact O-N 2.79Å; D55-K57 VanDerWaalsContact C-N 3.33Å; D55-K57 PolarHBondContact O-N 3.28Å; K57-Y59 VanDerWaalsContact C-N 3.28Å; K57-Y59 PolarHBondContact O-N 3.12Å; K57-V60 PolarHBondContact O-N 2.92Å; K57-V60 VanDerWaalsContact O-N 3.09Å; K57-E61 VanDerWaalsContact CE-OE1 3.32Å; K57-E61 WeakPolarHBondContact CE-OE1 3.45Å; K57-E61 IonicContact NZ-OE1 2.88Å; K57-E61 PolarHBondContact NZ-OE1 3.49Å; K57-E61 IonicContact NZ-OE2 2.62Å; K57-E61 WeakPolarHBondContact O-CG 3.44Å; K57-E61 PolarHBondContact O-N 3.47Å |
| 58 | K | 52.1 | Low | 45 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 57% | 0.565 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -57.3 | -38.6 | 173.4 | -79.8 | -176.2 | 172.9 | 179.5 | 0 | 112.6 | S54 D55 V60 E61 N62 | S54-K58 PolarHBondContact O-N 3.22Å; D55-K58 PolarHBondContact O-N 3.04Å; K58-V60 VanDerWaalsContact C-N 3.34Å; K58-E61 PolarHBondContact O-N 3.22Å; K58-N62 VanDerWaalsContact O-CB 3.28Å; K58-N62 WeakPolarHBondContact O-CB 3.32Å; K58-N62 PolarHBondContact O-N 2.89Å |
| 59 | Y | 52.2 | Low | 44.6 | Very low | 182 Ų | 182 | 121.3 Ų | 121.3 | 71% | 0.714 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67 | -32.9 | 177.2 | -178.7 | -96.6 | 0 | 0 | 0 | 112.9 | D55 F56 K57 | D55-Y59 VanDerWaalsContact O-CB 3.3Å; D55-Y59 WeakPolarHBondContact O-CB 3.3Å; D55-Y59 PolarHBondContact O-N 2.88Å; F56-Y59 PolarHBondContact O-N 3.22Å; K57-Y59 VanDerWaalsContact C-N 3.28Å; K57-Y59 PolarHBondContact O-N 3.12Å |
| 60 | V | 57.4 | Low | 43.9 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 58% | 0.576 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75 | -38 | 172.9 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | F56 K57 K58 | F56-V60 HydrophobicContact CD1-CG2 4.4Å; F56-V60 HydrophobicContact CE1-CG2 4.09Å; F56-V60 HydrophobicContact CZ-CG2 4.41Å; F56-V60 WeakPolarHBondContact O-CG2 3.36Å; F56-V60 PolarHBondContact O-N 3.05Å; F56-V60 VanDerWaalsContact O-N 3.1Å; K57-V60 PolarHBondContact O-N 2.92Å; K57-V60 VanDerWaalsContact O-N 3.09Å; K58-V60 VanDerWaalsContact C-N 3.34Å |
| 61 | E | 55.3 | Low | 43.4 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 54% | 0.537 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -73.7 | -36 | -179.5 | -71.8 | 171.8 | 150.9 | 0 | 0 | 112.9 | K57 K58 R63 | K57-E61 VanDerWaalsContact CE-OE1 3.32Å; K57-E61 WeakPolarHBondContact CE-OE1 3.45Å; K57-E61 IonicContact NZ-OE1 2.88Å; K57-E61 PolarHBondContact NZ-OE1 3.49Å; K57-E61 IonicContact NZ-OE2 2.62Å; K57-E61 WeakPolarHBondContact O-CG 3.44Å; K57-E61 PolarHBondContact O-N 3.47Å; K58-E61 PolarHBondContact O-N 3.22Å; E61-R63 PolarHBondContact O-N 2.95Å |
| 62 | N | 42.6 | Very low | 42.7 | Very low | 131 Ų | 131 | 130 Ų | 130 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 22.6 | -176.9 | -68.2 | 4.5 | 0 | 0 | 0 | 113.9 | K58 P64 | K58-N62 VanDerWaalsContact O-CB 3.28Å; K58-N62 WeakPolarHBondContact O-CB 3.32Å; K58-N62 PolarHBondContact O-N 2.89Å; N62-P64 WeakPolarHBondContact O-CD 3.42Å |
| 63 | R | 44.3 | Very low | 42.5 | Very low | 203 Ų | 203 | 130.1 Ų | 130.1 | 77% | 0.766 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -70 | 122.3 | 177.9 | -175.2 | 178.4 | -179.1 | 179.3 | -0.4 | 110 | E61 V65 | E61-R63 PolarHBondContact O-N 2.95Å; R63-V65 PolarHBondContact O-N 3.04Å |
| 64 | P | 35.3 | Very low | 42.1 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 128 | 179.3 | 25.9 | -33.7 | 0 | 0 | 0 | 110.8 | N62 | N62-P64 WeakPolarHBondContact O-CD 3.42Š|
| 65 | V | 45.3 | Very low | 41.5 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 81% | 0.812 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 121.4 | 169.9 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | R63 | R63-V65 PolarHBondContact O-N 3.04Š|
| 66 | T | 32.8 | Very low | 40.8 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.2 | 170.2 | 46.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 67 | P | 36.3 | Very low | 40 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 165.2 | -179.9 | 29.7 | -35.3 | 0 | 0 | 0 | 112.5 | ||
| 68 | V | 39.6 | Very low | 39.1 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 150.9 | 177.8 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | D70 | V68-D70 WeakPolarHBondContact CG1-OD2 3.38Š|
| 69 | S | 30.3 | Very low | 38.6 | Very low | 123 Ų | 123 | 142 Ų | 142 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -130.9 | 106.3 | 160.4 | -63.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 70 | D | 32.8 | Very low | 37.5 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | -87.6 | 134 | 172.8 | -69.8 | -64 | 0 | 0 | 0 | 111.1 | V68 | V68-D70 WeakPolarHBondContact CG1-OD2 3.38Š| ||
| 71 | L | 32.4 | Very low | 36.3 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -147.1 | 111.2 | 149.1 | -70.5 | -179.4 | 0 | 0 | 0 | 104.9 | ||||
| 72 | S | 30.4 | Very low | 35.7 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | 84.2 | 88.2 | 51.8 | -159.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 73 | E | 37.3 | Very low | 35 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 66.7 | 167.1 | 152.1 | -63.3 | 154.6 | 178.7 | 0 | 0 | 115 | ||||
| 74 | E | 33.1 | Very low | 34.5 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | cis | -132.2 | -147.5 | 18.1 | -60.5 | 176.9 | 106.2 | 0 | 0 | 113 | ||||
| 75 | E | 36.6 | Very low | 34.5 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -121.7 | 163.8 | -147.7 | -143.6 | -177.6 | 123.2 | 0 | 0 | 116.2 | ||||
| 76 | N | 31.3 | Very low | 33.9 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 66% | 0.658 | 78% | 0.776 | S | S | * | * | trans | 85.4 | 126 | 148.8 | -82.2 | -49.5 | 0 | 0 | 0 | 125 | ||||
| 77 | L | 31.9 | Very low | 33.9 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | 87.5 | 152.4 | 147.5 | -63.8 | 172.1 | 0 | 0 | 0 | 122.4 | ||||
| 78 | L | 32.3 | Very low | 34.2 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -107.4 | -179 | -160.7 | -79.4 | 172.5 | 0 | 0 | 0 | 112 | ||||
| 79 | P | 42.2 | Very low | 33.9 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | cis | -134.3 | 175.4 | 11.5 | 41.7 | -23.8 | 0 | 0 | 0 | 117.3 | ||||
| 80 | G | 28.6 | Very low | 33.9 | Very low | 61 Ų | 61 | 140.2 Ų | 140.2 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | trans | -153.9 | -11.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 81 | T | 31.7 | Very low | 33.7 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | 70.7 | 173 | 178.3 | 82 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 82 | P | 42.2 | Very low | 33.6 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | -127.8 | 177.8 | -102.2 | 32.2 | -9.9 | 0 | 0 | 0 | 117.5 | |||||
| 83 | D | 29.3 | Very low | 33.6 | Very low | 135 Ų | 135 | 141.5 Ų | 141.5 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -76.6 | -179.7 | -165.2 | -66 | -85.9 | 0 | 0 | 0 | 119.8 | ||||
| 84 | F | 33.3 | Very low | 34.1 | Very low | 170 Ų | 170 | 138.4 Ų | 138.4 | 75% | 0.746 | 78% | 0.775 | S | S | * | * | trans | 119.8 | 131.3 | 144.9 | -59.3 | -51.6 | 0 | 0 | 0 | 115.3 | ||||
| 85 | H | 35.3 | Very low | 34.7 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | cis | -159.7 | 166.4 | 3.7 | -109.2 | -51.7 | 0 | 0 | 0 | 111.4 | ||||
| 86 | T | 32.5 | Very low | 34.3 | Very low | 123 Ų | 123 | 137 Ų | 137 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | 82.9 | 101.3 | 160.3 | -30.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 87 | I | 33.3 | Very low | 34.3 | Very low | 142 Ų | 142 | 136 Ų | 136 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | cis | 75.2 | 131.3 | 42.9 | -53.3 | 173.5 | 0 | 0 | 0 | 113.1 | ||||
| 88 | P | 42.3 | Very low | 34.8 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | cis | -136.6 | -174.7 | -17 | 41.2 | -22.7 | 0 | 0 | 0 | 116.1 | ||||
| 89 | A | 32 | Very low | 34.6 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 60% | 0.603 | 76% | 0.755 | S | S | * | * | trans | 16.4 | 148.1 | 139.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 90 | F | 30.6 | Very low | 34 | Very low | 203 Ų | 203 | 130.3 Ų | 130.3 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | -149.1 | 162.6 | 53.4 | -103.7 | -89.8 | 0 | 0 | 0 | 116.5 | |||||
| 91 | C | 29.8 | Very low | 33.9 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | -88 | 157.2 | -170 | -54.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 92 | L | 29.4 | Very low | 33.9 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -105.9 | 125.7 | 161 | -68.9 | 169 | 0 | 0 | 0 | 109.1 | ||||
| 93 | T | 31.3 | Very low | 34 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | 176.6 | 151.3 | 120.7 | 32.8 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 94 | P | 46.3 | Very low | 34 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -90.2 | -178.6 | 172.7 | 43.7 | -39 | 0 | 0 | 0 | 110.4 | ||||
| 95 | P | 46.3 | Very low | 34 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | -151.8 | -174.4 | 79.9 | 29.3 | -3.4 | 0 | 0 | 0 | 116.7 | |||||
| 96 | Y | 27.9 | Very low | 33.8 | Very low | 226 Ų | 226 | 135 Ų | 135 | 89% | 0.886 | 76% | 0.758 | S | S | * | * | trans | 86.9 | 148.2 | 160.5 | -76.5 | -78.6 | 0 | 0 | 0 | 123.6 | ||||
| 97 | S | 31.5 | Very low | 33.6 | Very low | 102 Ų | 102 | 134.9 Ų | 134.9 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | -156.1 | 167.3 | 176 | -154.5 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 98 | P | 42.8 | Very low | 33.6 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | cis | -141.7 | -163.6 | 15.5 | 44.1 | -23.8 | 0 | 0 | 0 | 115.5 | ||||
| 99 | S | 28.5 | Very low | 33.1 | Very low | 92 Ų | 92 | 137.6 Ų | 137.6 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | trans | 81.1 | 112.2 | 148.9 | -80.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 100 | D | 29.2 | Very low | 33.3 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | 60.6 | 111 | 123.7 | -53.3 | -60.2 | 0 | 0 | 0 | 121.7 | |||||
| 101 | F | 27.4 | Very low | 33.4 | Very low | 214 Ų | 214 | 137.2 Ų | 137.2 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | trans | -163.6 | 149.7 | 135.4 | -118 | -81.8 | 0 | 0 | 0 | 111.9 | ||||
| 102 | E | 30.5 | Very low | 34.4 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | trans | -128.3 | 174.7 | 177.5 | -109.4 | -93.8 | 97.5 | 0 | 0 | 107.6 | ||||
| 103 | P | 45.5 | Very low | 34.4 | Very low | 89 Ų | 89 | 134.1 Ų | 134.1 | 58% | 0.578 | 77% | 0.773 | S | S | * | * | cis | -136.5 | -171.8 | -8.1 | 42.5 | -25.4 | 0 | 0 | 0 | 115.4 | ||||
| 104 | S | 28.7 | Very low | 35.3 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | trans | 73 | 142.3 | 154.9 | -56.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 105 | Q | 33.9 | Very low | 34.8 | Very low | 182 Ų | 182 | 132.4 Ų | 132.4 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | cis | -155.5 | 142.1 | 48.5 | -73.2 | -176.9 | 11.3 | 0 | 0 | 116 | ||||
| 106 | V | 30.2 | Very low | 34 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | 39.2 | 120.1 | 127.8 | -172.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 107 | S | 29 | Very low | 34.1 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | -159.2 | 159.3 | 119.1 | -151.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 108 | N | 32.8 | Very low | 34.3 | Very low | 140 Ų | 140 | 131 Ų | 131 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | -129.3 | 162.2 | -167.8 | -69.4 | -81.3 | 0 | 0 | 0 | 113.1 | ||||
| 109 | L | 31.2 | Very low | 33.5 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | trans | -160.3 | 147.2 | 142.1 | -107.6 | 154.6 | 0 | 0 | 0 | 113.8 | ||||
| 110 | M | 37.5 | Very low | 33.7 | Very low | 180 Ų | 180 | 139.4 Ų | 139.4 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -58.5 | 175.9 | -174.1 | -67.1 | 167.8 | 179.4 | 0 | 0 | 116.3 | ||||
| 111 | A | 32.6 | Very low | 33.4 | Very low | 87 Ų | 87 | 137.3 Ų | 137.3 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | cis | 173 | -165.2 | -23.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 112 | P | 49.4 | Very low | 33.4 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | cis | -122.8 | -163.4 | -29 | 39.8 | -22.2 | 0 | 0 | 0 | 112.6 | ||||
| 113 | A | 31 | Very low | 33.4 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | -120.7 | 177.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 114 | P | 50.3 | Low | 32.4 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | -153.1 | 156.6 | 119.8 | 40 | -23.4 | 0 | 0 | 0 | 119.3 | |||||
| 115 | S | 33.8 | Very low | 32.5 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | 61.6 | 109.3 | 138.2 | 66.3 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 116 | T | 30.2 | Very low | 32.2 | Very low | 125 Ų | 125 | 131 Ų | 131 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | 61.6 | 112.5 | 110.7 | -46 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 117 | V | 31 | Very low | 32.3 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | -141.8 | 143.1 | 137.3 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 118 | H | 34.8 | Very low | 33.5 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 64% | 0.644 | 77% | 0.773 | S | S | * | * | trans | -47.8 | 176.3 | 167.8 | -79.3 | -129.6 | 0 | 0 | 0 | 117 | ||||
| 119 | F | 26.8 | Very low | 33.4 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | cis | -148.7 | 175.2 | 18.3 | -127.5 | -73.1 | 0 | 0 | 0 | 112.6 | ||||
| 120 | K | 31.9 | Very low | 33.5 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | -81 | -179.6 | 168.9 | -55.6 | 174.7 | 179 | 174.4 | 0 | 110.8 | ||||
| 121 | S | 23.6 | Very low | 33.1 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | cis | -168.2 | 150.9 | 21.1 | -152.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 122 | L | 26.3 | Very low | 32.8 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | 25.9 | 129 | 142.2 | -61.4 | 170.9 | 0 | 0 | 0 | 124.6 | ||||
| 123 | S | 30.1 | Very low | 32.6 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | 63.5 | 163.2 | 127.5 | -47.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 124 | D | 26.2 | Very low | 32.4 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | cis | -151.6 | 172.5 | -3.9 | -141 | -39.9 | 0 | 0 | 0 | 113.5 | ||||
| 125 | T | 29.5 | Very low | 31.5 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | -28.9 | 134.7 | 165 | -56.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 126 | A | 28 | Very low | 31.3 | Very low | 102 Ų | 102 | 137.5 Ų | 137.5 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | 175 | 172.2 | 132.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 127 | R | 32.8 | Very low | 31.4 | Very low | 241 Ų | 241 | 139 Ų | 139 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | -127.5 | -173.5 | -171.4 | -110.9 | -178 | -177.1 | -177.4 | 1.8 | 109.2 | ||||
| 128 | P | 53.2 | Low | 31.5 | Very low | 91 Ų | 91 | 138.8 Ų | 138.8 | 59% | 0.591 | 74% | 0.735 | S | S | * | * | cis | -137 | -148.7 | -24.1 | 35 | -11.9 | 0 | 0 | 0 | 113.5 | ||||
| 129 | H | 32.4 | Very low | 31.3 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | 89.6 | 147.6 | 169.7 | -53.6 | -66.1 | 0 | 0 | 0 | 116.7 | ||||
| 130 | I | 32.2 | Very low | 31.4 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | cis | -152.3 | 162.6 | 4.5 | -131.7 | 161.6 | 0 | 0 | 0 | 112.9 | ||||
| 131 | A | 28.7 | Very low | 32 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | trans | 42.9 | 115.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 132 | A | 27.3 | Very low | 32.2 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | 42.4 | 160.5 | 105.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 133 | P | 44.9 | Very low | 32.3 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | cis | -145.3 | 174.1 | 15.7 | 46.1 | -28.4 | 0 | 0 | 0 | 119.2 | ||||
| 134 | F | 27.5 | Very low | 32.4 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | trans | 58.6 | 147.9 | 152.7 | -72.1 | -53.8 | 0 | 0 | 0 | 120.7 | ||||
| 135 | K | 30.7 | Very low | 33 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 65% | 0.648 | 75% | 0.746 | S | S | * | * | cis | -140.4 | 138.6 | 5.2 | -120.1 | -173.8 | -171.3 | -71 | 0 | 108.7 | ||||
| 136 | E | 29.5 | Very low | 33.3 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 58% | 0.579 | 75% | 0.748 | S | S | * | * | 64.7 | 137.3 | 106.8 | -82.3 | 167.4 | -140 | 0 | 0 | 116.3 | |||||
| 137 | E | 32 | Very low | 33.6 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 73% | 0.729 | 75% | 0.746 | S | S | * | * | cis | -162.5 | 149.2 | 3.1 | 178.1 | 158.9 | 110.4 | 0 | 0 | 112.4 | ||||
| 138 | E | 32.6 | Very low | 34.4 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | trans | 48.8 | 151.4 | 159.2 | -68.6 | -114.5 | 99.2 | 0 | 0 | 121.4 | ||||
| 139 | K | 31.6 | Very low | 33.4 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | cis | -142.5 | 156.7 | 2.6 | -157.3 | 158.8 | -168.3 | 74.9 | 0 | 111.7 | ||||
| 140 | S | 28.2 | Very low | 33.4 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -148.4 | 178.7 | 171.7 | -82.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 141 | P | 43.9 | Very low | 33.7 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | cis | -121 | -164.8 | 5 | 43.1 | -26.9 | 0 | 0 | 0 | 111.5 | ||||
| 142 | G | 27.9 | Very low | 33.8 | Very low | 66 Ų | 66 | 132.9 Ų | 132.9 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | cis | -168.9 | -174 | -2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 143 | S | 28.5 | Very low | 34.7 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | cis | 173.2 | 115.6 | -5.1 | 42 | 0 | 0 | 0 | 0 | 105 | ||||
| 144 | A | 33.3 | Very low | 34.2 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | -134.5 | 145.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 145 | P | 39 | Very low | 34.6 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | trans | -72.9 | 164.7 | -176.3 | 30 | -35.2 | 0 | 0 | 0 | 113.1 | ||||
| 146 | K | 34.3 | Very low | 34.7 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | trans | -127.9 | 134.7 | -167 | -70.2 | 179.8 | 177 | 175.8 | 0 | 114.6 | ||||
| 147 | L | 35.9 | Very low | 35.1 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | trans | 66.1 | 173.8 | 147.6 | -97.2 | 76.4 | 0 | 0 | 0 | 117.2 | ||||
| 148 | P | 49.5 | Very low | 35.2 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | cis | -133.2 | 148.3 | 8.9 | 37.4 | -19.2 | 0 | 0 | 0 | 119 | ||||
| 149 | K | 31.2 | Very low | 35.6 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | 63.2 | 159.9 | 145.7 | -62.1 | 169.6 | -177.4 | 176.7 | 0 | 117.2 | ||||
| 150 | A | 31.8 | Very low | 35.7 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | cis | -136.4 | -178.6 | 5.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 151 | Q | 39 | Very low | 36.1 | Very low | 197 Ų | 197 | 135.5 Ų | 135.5 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -93.4 | 145.9 | 179.4 | -61.3 | 164 | -33.1 | 0 | 0 | 112.2 | ||||
| 152 | A | 30.5 | Very low | 35.9 | Very low | 98 Ų | 98 | 133 Ų | 133 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -159.1 | 111 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 153 | T | 46.8 | Very low | 36.7 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -105.6 | 106.1 | 171.7 | 51.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 154 | S | 34 | Very low | 37.2 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -110.5 | 90.8 | 176.1 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | I156 | S154-I156 PolarHBondContact O-N 3.33Å; S154-I156 VanDerWaalsContact O-N 3.1Å | ||
| 155 | V | 36.3 | Very low | 37.8 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -78.2 | 90.5 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | R157 | V155-R157 HydrophobicContact CG1-CG 4.39Å; V155-R157 PolarHBondContact O-N 2.94Å; V155-R157 VanDerWaalsContact O-N 3.17Å | ||
| 156 | I | 33.2 | Very low | 38.2 | Very low | 126 Ų | 126 | 142 Ų | 142 | 65% | 0.646 | 79% | 0.787 | S | S | * | * | trans | -81.4 | 96.5 | 176.7 | -58.4 | -179.5 | 0 | 0 | 0 | 109.9 | S154 H158 | S154-I156 PolarHBondContact O-N 3.33Å; S154-I156 VanDerWaalsContact O-N 3.1Å; I156-H158 VanDerWaalsContact CG2-CD2 3.43Å; I156-H158 WeakPolarHBondContact CG2-CD2 3.33Å; I156-H158 VanDerWaalsContact CG2-NE2 3.31Å; I156-H158 WeakPolarHBondContact CG2-NE2 3.17Å | ||
| 157 | R | 36.8 | Very low | 39.2 | Very low | 210 Ų | 210 | 140.1 Ų | 140.1 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | trans | -88.4 | 107.2 | 162.1 | -74.2 | 178.5 | 176.4 | 144 | -3.4 | 109.2 | V155 T159 | V155-R157 HydrophobicContact CG1-CG 4.39Å; V155-R157 PolarHBondContact O-N 2.94Å; V155-R157 VanDerWaalsContact O-N 3.17Å; R157-T159 PolarHBondContact O-N 3.15Å | ||
| 158 | H | 34.4 | Very low | 39.7 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | -85 | 97.2 | 162.4 | -76 | -66.5 | 0 | 0 | 0 | 110.2 | I156 | I156-H158 VanDerWaalsContact CG2-CD2 3.43Å; I156-H158 WeakPolarHBondContact CG2-CD2 3.33Å; I156-H158 VanDerWaalsContact CG2-NE2 3.31Å; I156-H158 WeakPolarHBondContact CG2-NE2 3.17Å | ||
| 159 | T | 41.1 | Very low | 39.9 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | trans | -124.4 | 140.1 | 165.3 | 45.1 | 0 | 0 | 0 | 0 | 108.7 | R157 | R157-T159 PolarHBondContact O-N 3.15Š| ||
| 160 | A | 35 | Very low | 40.4 | Very low | 93 Ų | 93 | 136.4 Ų | 136.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 68.2 | 108 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 161 | D | 34.8 | Very low | 41.1 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | -129 | 93.5 | 128.7 | -108.9 | -45 | 0 | 0 | 0 | 107 | |||||
| 162 | A | 41.3 | Very low | 41.4 | Very low | 78 Ų | 78 | 134.5 Ų | 134.5 | 65% | 0.645 | 77% | 0.766 | S | S | * | * | trans | -151.1 | 95.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | L164 | A162-L164 PolarHBondContact O-N 3.24Š| ||
| 163 | Q | 43.4 | Very low | 41.8 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -59.2 | 133.6 | 179.1 | -71.2 | -173.7 | -14.7 | 0 | 0 | 110 | C165 | Q163-C165 PolarHBondContact O-N 3.23Š| ||
| 164 | L | 39.6 | Very low | 41.2 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -70.3 | 120.1 | 172.7 | -77 | 76.4 | 0 | 0 | 0 | 108.3 | A162 N166 | A162-L164 PolarHBondContact O-N 3.24Å; L164-N166 PolarHBondContact O-N 3.42Å; L164-N166 VanDerWaalsContact O-N 3.11Å | ||
| 165 | C | 45.7 | Very low | 41.2 | Very low | 82 Ų | 82 | 137.6 Ų | 137.6 | 55% | 0.554 | 77% | 0.774 | S | S | * | * | trans | -66.4 | 109.1 | 172.1 | 55.3 | 0 | 0 | 0 | 0 | 110 | Q163 H167 | Q163-C165 PolarHBondContact O-N 3.23Å; C165-H167 PolarHBondContact O-N 3.44Å; C165-H167 VanDerWaalsContact O-N 3.1Å | ||
| 166 | N | 48.3 | Very low | 41.2 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | -89 | 45.2 | -176.4 | -152.7 | 26 | 0 | 0 | 0 | 112.6 | L164 | L164-N166 PolarHBondContact O-N 3.42Å; L164-N166 VanDerWaalsContact O-N 3.11Å | ||
| 167 | H | 55.1 | Low | 41.3 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -105 | 136.3 | 175.7 | -78.7 | -82.5 | 0 | 0 | 0 | 111.1 | C165 S169 | C165-H167 PolarHBondContact O-N 3.44Å; C165-H167 VanDerWaalsContact O-N 3.1Å; H167-S169 PolarHBondContact O-N 2.87Å | ||
| 168 | Q | 45.1 | Very low | 41.1 | Very low | 210 Ų | 210 | 135.5 Ų | 135.5 | 98% | 0.981 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 16.5 | -172.8 | -157.7 | 166.8 | -3 | 0 | 0 | 114.6 | ||
| 169 | S | 54.1 | Low | 40.9 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139 | 18.7 | -173.2 | 52 | 0 | 0 | 0 | 0 | 113.8 | H167 | H167-S169 PolarHBondContact O-N 2.87Š|
| 170 | C | 43.1 | Very low | 40.2 | Very low | 60 Ų | 60 | 138.6 Ų | 138.6 | 41% | 0.405 | 79% | 0.786 | S | S | . | * | trans | -86.2 | 121.6 | 177.2 | -171.6 | 0 | 0 | 0 | 0 | 112.3 | V172 | C170-V172 VanDerWaalsContact C-N 3.27Å; C170-V172 PolarHBondContact O-N 2.84Å | ||
| 171 | P | 46 | Very low | 40 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -82.2 | 28.5 | -164.3 | 34.2 | -38.9 | 0 | 0 | 0 | 115.9 | ||
| 172 | V | 45.5 | Very low | 39.8 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | trans | -116 | 39.4 | -172.2 | -158.4 | 0 | 0 | 0 | 0 | 112.5 | C170 | C170-V172 VanDerWaalsContact C-N 3.27Å; C170-V172 PolarHBondContact O-N 2.84Å | ||
| 173 | K | 38.7 | Very low | 39.2 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -141 | 61.5 | -180 | -108.7 | -173.4 | 178.8 | -178.4 | 0 | 113.7 | ||||
| 174 | A | 34.3 | Very low | 38.5 | Very low | 103 Ų | 103 | 138 Ų | 138 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -156 | 64.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 175 | A | 34.5 | Very low | 38.2 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 169.5 | 64.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 176 | S | 34.4 | Very low | 37.4 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -155.2 | 39.2 | 175.7 | 65.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 177 | I | 35.4 | Very low | 36.7 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -141.9 | 118.4 | 162.2 | -41.6 | 178.3 | 0 | 0 | 0 | 102.3 | ||||
| 178 | L | 32.8 | Very low | 35.5 | Very low | 146 Ų | 146 | 154 Ų | 154 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | S | Bend | -140.7 | 174.5 | 51.4 | -80.4 | 161.3 | 0 | 0 | 0 | 114.1 | |||
| 179 | N | 29.8 | Very low | 34.7 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | 66.5 | 78.9 | 156.8 | -62.8 | -6.7 | 0 | 0 | 0 | 118.6 | ||||
| 180 | Y | 27.4 | Very low | 33.7 | Very low | 222 Ų | 222 | 151.9 Ų | 151.9 | 87% | 0.871 | 78% | 0.779 | S | S | * | * | trans | -89.1 | 102.6 | 136.7 | -173 | -80.7 | 0 | 0 | 0 | 107.7 | ||||
| 181 | Q | 31.4 | Very low | 33 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -145.4 | 157 | 167.6 | -101.1 | -62.4 | -0.5 | 0 | 0 | 109.1 | ||||
| 182 | D | 30.1 | Very low | 32.2 | Very low | 109 Ų | 109 | 155.6 Ų | 155.6 | 58% | 0.583 | 79% | 0.791 | S | S | * | * | trans | -114.4 | 155.4 | -143 | -164.8 | 21.8 | 0 | 0 | 0 | 115.9 | ||||
| 183 | N | 28.5 | Very low | 31.5 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | trans | 72.4 | 142.2 | 150 | -103.3 | -53 | 0 | 0 | 0 | 123.9 | ||||
| 184 | S | 28.6 | Very low | 31.1 | Very low | 111 Ų | 111 | 155.8 Ų | 155.8 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | 91.2 | 152.1 | 147.8 | 83.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 185 | F | 33.6 | Very low | 30.9 | Very low | 197 Ų | 197 | 155.7 Ų | 155.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -89.1 | 150.5 | -162.6 | -71.5 | -106.4 | 0 | 0 | 0 | 114.3 | ||||
| 186 | R | 29.8 | Very low | 30.6 | Very low | 248 Ų | 248 | 154.9 Ų | 154.9 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | -145.2 | 145.7 | 126.3 | -109.1 | -178.6 | -172.7 | -110.1 | -0.6 | 112.5 | |||||
| 187 | R | 32.4 | Very low | 30.5 | Very low | 228 Ų | 228 | 160.1 Ų | 160.1 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -80.7 | 155.8 | 162.2 | -50.1 | 179.2 | -168.1 | 173.6 | 3.6 | 107.2 | ||||
| 188 | R | 30.5 | Very low | 30.4 | Very low | 224 Ų | 224 | 161.6 Ų | 161.6 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | 175.5 | 163.4 | 75.8 | -154.3 | -176.6 | -166 | 157.1 | 3.7 | 111.3 | |||||
| 189 | T | 28 | Very low | 30.3 | Very low | 115 Ų | 115 | 162.5 Ų | 162.5 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 55 | 96.5 | 153.2 | 32.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 190 | H | 33.8 | Very low | 30.4 | Very low | 156 Ų | 156 | 163.2 Ų | 163.2 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | 14 | 119.6 | 113.5 | -177.5 | -78.4 | 0 | 0 | 0 | 118.5 | |||||
| 191 | L | 27.2 | Very low | 30.9 | Very low | 158 Ų | 158 | 158.2 Ų | 158.2 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -157.8 | 158.3 | 130.4 | -110.9 | 166.8 | 0 | 0 | 0 | 111.3 | ||||
| 192 | T | 30.4 | Very low | 30.7 | Very low | 110 Ų | 110 | 156.5 Ų | 156.5 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | trans | -95.1 | 152.8 | -174.8 | 44.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 193 | V | 30.2 | Very low | 30.7 | Very low | 145 Ų | 145 | 156.3 Ų | 156.3 | 88% | 0.879 | 81% | 0.813 | S | S | * | * | trans | -161.3 | 158.7 | 135.8 | 129.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 194 | E | 30 | Very low | 30.7 | Very low | 186 Ų | 186 | 155.1 Ų | 155.1 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -95.5 | 142.9 | -170.1 | -53.9 | 163.9 | 101 | 0 | 0 | 113.7 | ||||
| 195 | A | 29.4 | Very low | 30.7 | Very low | 100 Ų | 100 | 156.7 Ų | 156.7 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | trans | -168.8 | 109.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 196 | A | 28.5 | Very low | 30.3 | Very low | 87 Ų | 87 | 152.4 Ų | 152.4 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | 93.9 | 122.3 | 56.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 197 | R | 33 | Very low | 31 | Very low | 225 Ų | 225 | 146 Ų | 146 | 85% | 0.849 | 81% | 0.811 | S | S | * | * | trans | 88.2 | 112.9 | 150.9 | -65.4 | 162.5 | -176.8 | -168.1 | 0.5 | 120.7 | ||||
| 198 | K | 32.6 | Very low | 30.7 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 81% | 0.809 | 80% | 0.804 | S | S | * | * | trans | 80.9 | 109.3 | 134.5 | -64 | 175.8 | -179.7 | -173.3 | 0 | 119.2 | ||||
| 199 | N | 31.5 | Very low | 30.7 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -62.4 | 147.7 | 149.3 | -61.4 | -61 | 0 | 0 | 0 | 110.5 | ||||
| 200 | I | 31.7 | Very low | 30.7 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -129 | 130.9 | 159.8 | -62.1 | 179.9 | 0 | 0 | 0 | 106.5 | ||||
| 201 | P | 38.5 | Very low | 30.5 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -79.3 | 160.7 | -176.4 | 33.1 | -36.1 | 0 | 0 | 0 | 112.6 | ||||
| 202 | C | 26.2 | Very low | 30.5 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | trans | -71.6 | 131.3 | 174.2 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 203 | A | 30.4 | Very low | 30.4 | Very low | 105 Ų | 105 | 144.9 Ų | 144.9 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | -138.1 | 143.3 | 159 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 204 | A | 29.5 | Very low | 30.3 | Very low | 103 Ų | 103 | 148.4 Ų | 148.4 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | -104.6 | 127.3 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 205 | V | 28.1 | Very low | 30.3 | Very low | 144 Ų | 144 | 144 Ų | 144 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | trans | -142.7 | 133.3 | 157.7 | -179.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 206 | S | 25.4 | Very low | 30.4 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -121.3 | 159.9 | 155.9 | -77.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 207 | P | 43.1 | Very low | 30.4 | Very low | 113 Ų | 113 | 147.2 Ų | 147.2 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | cis | -147.1 | -174.5 | 27.7 | 38.2 | -16 | 0 | 0 | 0 | 117.5 | ||||
| 208 | N | 26.7 | Very low | 30.3 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | 86.5 | 129.9 | 138.1 | -119.4 | -23 | 0 | 0 | 0 | 122.4 | ||||
| 209 | R | 29.8 | Very low | 30.1 | Very low | 228 Ų | 228 | 138.8 Ų | 138.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 58.6 | 154.8 | 156.7 | -78.8 | -179.5 | 176.2 | -161.6 | -2 | 118.3 | ||||
| 210 | S | 30 | Very low | 30.2 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | cis | -150 | -178.6 | -5.1 | 28.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 211 | K | 29.4 | Very low | 30.4 | Very low | 199 Ų | 199 | 136 Ų | 136 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -74.2 | 175.2 | -175.4 | -71.8 | 179.3 | 174.3 | 177.8 | 0 | 114.8 | ||||
| 212 | C | 26.6 | Very low | 30.2 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | 87.9 | 147.7 | 168.5 | -71.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 213 | E | 27.5 | Very low | 30.4 | Very low | 181 Ų | 181 | 138.5 Ų | 138.5 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | cis | -125.4 | -179.6 | 7.7 | -148.5 | 102.7 | -115.4 | 0 | 0 | 113.3 | ||||
| 214 | R | 29 | Very low | 30.4 | Very low | 219 Ų | 219 | 137.6 Ų | 137.6 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -122.6 | 159 | -178.6 | -176.6 | -160.7 | -86.3 | -156.8 | -6.9 | 109.4 | ||||
| 215 | S | 28.9 | Very low | 30.5 | Very low | 95 Ų | 95 | 138 Ų | 138 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 110.8 | 146.5 | 145.5 | -53.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 216 | T | 31.4 | Very low | 30.5 | Very low | 109 Ų | 109 | 136 Ų | 136 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | cis | -173.6 | 150.6 | -20.4 | 30.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 217 | V | 29.5 | Very low | 30.7 | Very low | 145 Ų | 145 | 135 Ų | 135 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | 56.6 | 167.6 | 160.2 | -57.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 218 | A | 30.2 | Very low | 30 | Very low | 87 Ų | 87 | 136.9 Ų | 136.9 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | cis | -140.2 | 144.1 | 3.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 219 | D | 28.8 | Very low | 30.1 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | 70.6 | 109.4 | 85.6 | -127.4 | -124.7 | 0 | 0 | 0 | 113.9 | |||||
| 220 | V | 33 | Very low | 30 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 85 | 136.3 | 101 | 158 | 0 | 0 | 0 | 0 | 114 | |||||
| 221 | D | 35.6 | Very low | 29.9 | Very low | 140 Ų | 140 | 139.3 Ų | 139.3 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | cis | -165.9 | -169.1 | -17.2 | -159.1 | -82.3 | 0 | 0 | 0 | 109.6 | ||||
| 222 | E | 35.3 | Very low | 29.9 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | 63.2 | 138.8 | 166.7 | -73.3 | -158.6 | 116.6 | 0 | 0 | 119.7 | ||||
| 223 | K | 31.4 | Very low | 30 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 70% | 0.7 | 76% | 0.756 | S | S | * | * | cis | 160.7 | 150.5 | 7.1 | 162.1 | 170.8 | 168.6 | -170.6 | 0 | 110.5 | ||||
| 224 | A | 30.4 | Very low | 30.8 | Very low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | trans | 65 | 155.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 225 | S | 29.7 | Very low | 31 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | cis | -166.5 | 168.2 | -15.3 | -103.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 226 | A | 29.6 | Very low | 31.3 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | 68.8 | 164.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 227 | A | 29.3 | Very low | 31.2 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | cis | -166.1 | 151.2 | -39.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 228 | L | 28.8 | Very low | 31.2 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | trans | 20.9 | 125.7 | 152.1 | -59.7 | 168 | 0 | 0 | 0 | 120.8 | ||||
| 229 | Y | 28.3 | Very low | 31.1 | Very low | 232 Ų | 232 | 129.7 Ų | 129.7 | 91% | 0.91 | 74% | 0.744 | S | S | * | * | -170.7 | -171.4 | 106.8 | -107.6 | -73.6 | 0 | 0 | 0 | 111.5 | |||||
| 230 | D | 27.6 | Very low | 31 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | trans | -144.6 | 167.3 | -136.8 | -153.8 | -6.8 | 0 | 0 | 0 | 116.6 | ||||
| 231 | F | 27.8 | Very low | 30.6 | Very low | 171 Ų | 171 | 130.1 Ų | 130.1 | 75% | 0.75 | 75% | 0.749 | S | S | * | * | trans | 78.5 | 128.6 | 159.7 | -80.9 | -70.7 | 0 | 0 | 0 | 125.8 | ||||
| 232 | S | 28.6 | Very low | 30.1 | Very low | 92 Ų | 92 | 134.8 Ų | 134.8 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | 90.2 | 112.8 | 128.1 | -74.7 | 0 | 0 | 0 | 0 | 126 | |||||
| 233 | V | 28.8 | Very low | 29.6 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | 62.5 | 161.6 | 116.5 | 173.1 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 234 | P | 44.6 | Very low | 29.5 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -110.2 | -173.9 | -6.1 | 15.6 | 11.3 | 0 | 0 | 0 | 113.6 | ||||
| 235 | S | 32.9 | Very low | 29.8 | Very low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | cis | 75.6 | 143.2 | 37.1 | -141.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 236 | S | 36.3 | Very low | 29.7 | Very low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | cis | -132.4 | -139.9 | 6.5 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 237 | E | 28.8 | Very low | 30.1 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | cis | -151 | -131 | 6.1 | -158.7 | 79 | -75.5 | 0 | 0 | 113 | ||||
| 238 | T | 29.9 | Very low | 29.9 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -151.2 | 170.7 | -163.1 | 64.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 239 | V | 26.6 | Very low | 29.8 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 170 | 118.6 | 130.6 | 154.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 240 | I | 28 | Very low | 30.3 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | 31 | 142.4 | 140.6 | -47.2 | -175.9 | 0 | 0 | 0 | 125.3 | ||||
| 241 | C | 23.5 | Very low | 30.3 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | trans | -74.3 | 165.3 | -176 | -34.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 242 | R | 25.9 | Very low | 30.3 | Very low | 237 Ų | 237 | 132.2 Ų | 132.2 | 89% | 0.894 | 77% | 0.77 | S | S | * | * | -173.8 | 135.4 | 122.1 | -118.9 | -176.3 | 172.7 | 129.9 | -2.5 | 119.5 | |||||
| 243 | S | 25.2 | Very low | 30.1 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 51.9 | 151.3 | 140.8 | 49 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 244 | Q | 29.1 | Very low | 30 | Very low | 186 Ų | 186 | 137 Ų | 137 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -73.5 | -179.2 | 178.1 | -103.2 | -177.4 | 2.6 | 0 | 0 | 115.7 | ||||
| 245 | P | 36.4 | Very low | 29.1 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | cis | -144.5 | -164.1 | 31.9 | 43.6 | -21.4 | 0 | 0 | 0 | 118.3 | ||||
| 246 | A | 28.8 | Very low | 28.7 | Very low | 90 Ų | 90 | 140.8 Ų | 140.8 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -118.3 | 169.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 247 | P | 37.7 | Very low | 28.2 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | -156 | 174.7 | 127.6 | 35.2 | -14.1 | 0 | 0 | 0 | 118.9 | |||||
| 248 | V | 25.3 | Very low | 28 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | 68.6 | 158 | 154.6 | -72.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 249 | S | 26.4 | Very low | 28.5 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -144.8 | 158.1 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 250 | P | 39.3 | Very low | 28.9 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | -151.2 | 143.5 | 129.7 | 35.9 | -18.2 | 0 | 0 | 0 | 118.8 | |||||
| 251 | Q | 27 | Very low | 28.9 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | trans | 47.6 | 126.5 | 135.5 | -62 | -150 | -7.3 | 0 | 0 | 126.1 | ||||
| 252 | Q | 26.7 | Very low | 29.3 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 76% | 0.757 | 80% | 0.802 | S | S | * | * | 49.7 | 131.8 | 126.3 | -58.5 | -172.5 | -7.2 | 0 | 0 | 123.1 | |||||
| 253 | K | 26 | Very low | 29.5 | Very low | 216 Ų | 216 | 132.4 Ų | 132.4 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | -164 | 165.8 | 111.2 | -108 | 166.3 | -173.2 | 174.9 | 0 | 113.2 | |||||
| 254 | S | 25.6 | Very low | 29.9 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -131.5 | 145.7 | -169.6 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 255 | V | 24.9 | Very low | 30 | Very low | 142 Ų | 142 | 127 Ų | 127 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -139.6 | 148.1 | 162.8 | -177 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 256 | L | 25.9 | Very low | 29.7 | Very low | 157 Ų | 157 | 125 Ų | 125 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -136.1 | 125.6 | -172 | -174.4 | 163.2 | 0 | 0 | 0 | 109.3 | ||||
| 257 | V | 24.8 | Very low | 30.1 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | trans | -143.4 | 144.6 | 174.1 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 258 | S | 25.8 | Very low | 30 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | -154.7 | 175.1 | 171.7 | -57.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 259 | P | 40 | Very low | 30.7 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | -123.6 | -170.6 | -84.2 | 39.1 | -23.8 | 0 | 0 | 0 | 111.7 | |||||
| 260 | P | 34.3 | Very low | 31 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -133.5 | 144.4 | 155.2 | 36.2 | -22.8 | 0 | 0 | 0 | 116.6 | ||||
| 261 | A | 28.9 | Very low | 30.9 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 51.1 | 90.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 262 | V | 32.3 | Very low | 31.3 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | 18.6 | 130.8 | 123.9 | -174.9 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 263 | S | 28.7 | Very low | 31.6 | Very low | 126 Ų | 126 | 126 Ų | 126 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | trans | -141.5 | 162.7 | 136 | -167 | 0 | 0 | 0 | 0 | 110 | ||||
| 264 | A | 33.4 | Very low | 32 | Very low | 99 Ų | 99 | 120.6 Ų | 120.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -114.5 | 154.2 | -158.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 265 | G | 32.1 | Very low | 32.3 | Very low | 86 Ų | 86 | 124 Ų | 124 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 150.6 | 91.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 266 | G | 30.9 | Very low | 32.6 | Very low | 79 Ų | 79 | 125.7 Ų | 125.7 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -173.4 | 138.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 267 | V | 35.7 | Very low | 33 | Very low | 135 Ų | 135 | 123.9 Ų | 123.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 138.9 | 179.5 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 268 | P | 36.7 | Very low | 33.4 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 135.8 | 176.6 | 27.2 | -35.2 | 0 | 0 | 0 | 111.7 | ||
| 269 | P | 39.8 | Very low | 33.8 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 140.6 | 176.6 | 29.4 | -34.1 | 0 | 0 | 0 | 111.7 | ||
| 270 | M | 33.4 | Very low | 33.6 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 148.1 | 172.7 | -74.8 | -91 | 86.9 | 0 | 0 | 111.6 | ||
| 271 | P | 35.4 | Very low | 33.8 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70 | 131.8 | -178.8 | 28.6 | -34.6 | 0 | 0 | 0 | 112.1 | ||
| 272 | V | 36.4 | Very low | 34.1 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 78% | 0.782 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 123.7 | 171.8 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | C274 | V272-C274 PolarHBondContact O-N 3.13Š|
| 273 | I | 33.2 | Very low | 34.1 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -86.3 | 107 | 176.2 | -59.1 | 174.6 | 0 | 0 | 0 | 109.1 | ||||
| 274 | C | 34.6 | Very low | 34.6 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 69% | 0.689 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 126 | 174.7 | -64 | 0 | 0 | 0 | 0 | 111 | V272 | V272-C274 PolarHBondContact O-N 3.13Š|
| 275 | Q | 31.2 | Very low | 34.6 | Very low | 180 Ų | 180 | 128.2 Ų | 128.2 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 138.9 | 163.8 | -71.2 | -173.7 | -12.3 | 0 | 0 | 110 | ||
| 276 | M | 32 | Very low | 34.5 | Very low | 177 Ų | 177 | 130.6 Ų | 130.6 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 137.7 | 172.5 | -68.8 | -168.9 | 177.3 | 0 | 0 | 110.9 | ||
| 277 | V | 34.1 | Very low | 34.5 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | trans | -131.8 | 114.7 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 278 | P | 32.9 | Very low | 34.1 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -77.1 | 139.1 | 176.1 | -12.4 | 28.4 | 0 | 0 | 0 | 111.8 | ||||
| 279 | L | 34.9 | Very low | 33.7 | Very low | 157 Ų | 157 | 133.2 Ų | 133.2 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -137.9 | 150.7 | 164.6 | -76.6 | 179.1 | 0 | 0 | 0 | 110 | ||||
| 280 | P | 33.8 | Very low | 33.3 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -75.5 | 154.3 | -167 | 30.2 | -36.2 | 0 | 0 | 0 | 113.8 | ||||
| 281 | A | 39.6 | Very low | 33.2 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -96.6 | 131.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 282 | S | 34.3 | Very low | 32.8 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -156.7 | 114.6 | 158.6 | 62.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 283 | N | 33.9 | Very low | 32.8 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | 65.4 | 132 | 167.3 | -62.6 | -42.6 | 0 | 0 | 0 | 119.6 | ||||
| 284 | P | 39.2 | Very low | 32.7 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -95.2 | 133.4 | 174.6 | 35.7 | -31.1 | 0 | 0 | 0 | 112.9 | ||||
| 285 | V | 31.9 | Very low | 33 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -133.9 | 127.2 | 157.3 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 286 | V | 31.3 | Very low | 33 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | -100.6 | 120.6 | 178.1 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 287 | T | 29.7 | Very low | 33.2 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -132.7 | 133.5 | 161.8 | -44.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 288 | T | 28 | Very low | 33.2 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | trans | -72.4 | 151.3 | -177.1 | 44.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 289 | V | 27.8 | Very low | 33.2 | Very low | 140 Ų | 140 | 127.2 Ų | 127.2 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -125.2 | 118.3 | 160.7 | -179 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 290 | V | 30.9 | Very low | 33 | Very low | 114 Ų | 114 | 124.1 Ų | 124.1 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -78.6 | 134.5 | -179.8 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | S292 | V290-S292 PolarHBondContact O-N 2.89Š| ||
| 291 | P | 32.7 | Very low | 33 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -68.3 | 120.6 | 174.3 | -18.8 | 32.1 | 0 | 0 | 0 | 111.9 | T293 | P291-T293 PolarHBondContact O-N 3.42Š| ||
| 292 | S | 27.4 | Very low | 32.7 | Very low | 122 Ų | 122 | 125 Ų | 125 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -95.9 | 85.9 | 175 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | V290 | V290-S292 PolarHBondContact O-N 2.89Š| ||
| 293 | T | 34.9 | Very low | 32.7 | Very low | 124 Ų | 124 | 125.3 Ų | 125.3 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -131.7 | 152 | 167.9 | 39.8 | 0 | 0 | 0 | 0 | 111.5 | P291 | P291-T293 PolarHBondContact O-N 3.42Š| ||
| 294 | P | 31.7 | Very low | 32.9 | Very low | 121 Ų | 121 | 123.4 Ų | 123.4 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -73.4 | 161.8 | -164.5 | -18.4 | 33.9 | 0 | 0 | 0 | 115 | ||||
| 295 | P | 40.6 | Very low | 32.9 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | -92.8 | 115.5 | -169.1 | 34.1 | -33.1 | 0 | 0 | 0 | 114.2 | ||||
| 296 | S | 32.1 | Very low | 33 | Very low | 107 Ų | 107 | 122.4 Ų | 122.4 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -171.6 | 73.8 | 155.1 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 297 | Q | 35 | Very low | 33.2 | Very low | 190 Ų | 190 | 125.1 Ų | 125.1 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | 166.9 | 154.2 | 145.3 | -96.6 | 174.9 | -44.7 | 0 | 0 | 110.9 | ||||
| 298 | P | 35.2 | Very low | 33.5 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 146.2 | 175 | 31.1 | -34.5 | 0 | 0 | 0 | 111.6 | ||
| 299 | P | 32.7 | Very low | 33.9 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 128.4 | -179.2 | 29.7 | -34.1 | 0 | 0 | 0 | 111.9 | V301 | P299-V301 PolarHBondContact O-N 3.08Š|
| 300 | A | 31.4 | Very low | 34.6 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 123.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | C302 | A300-C302 PolarHBondContact O-N 3.08Š|
| 301 | V | 32.3 | Very low | 35.2 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -73.8 | 111 | 179.3 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | P299 | P299-V301 PolarHBondContact O-N 3.08Š| ||
| 302 | C | 33.6 | Very low | 35.6 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 134.4 | 168.5 | -63 | 0 | 0 | 0 | 0 | 109.6 | A300 | A300-C302 PolarHBondContact O-N 3.08Š|
| 303 | P | 35.3 | Very low | 36.3 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 148.6 | 176 | 29.9 | -34.7 | 0 | 0 | 0 | 111.3 | ||
| 304 | P | 36.5 | Very low | 36.6 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 130.7 | 177.9 | 29.1 | -34 | 0 | 0 | 0 | 111.4 | V306 | P304-V306 PolarHBondContact O-N 3.45Š|
| 305 | V | 39.4 | Very low | 37.4 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 116.6 | 172.7 | 178.2 | 0 | 0 | 0 | 0 | 109.4 | F307 | V305-F307 HydrophobicContact CG1-CE2 4.42Š|
| 306 | V | 34.1 | Very low | 37.3 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | trans | -84.4 | 113.8 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | P304 M308 | P304-V306 PolarHBondContact O-N 3.45Å; V306-M308 HydrophobicContact CG1-CE 4.39Å; V306-M308 HydrophobicContact CG1-CG 4.39Å; V306-M308 PolarHBondContact O-N 3.07Å | ||
| 307 | F | 35.8 | Very low | 37.9 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -77.6 | 102.3 | 168.6 | -82.5 | -89.7 | 0 | 0 | 0 | 110.4 | V305 G309 | V305-F307 HydrophobicContact CG1-CE2 4.42Å; F307-G309 PolarHBondContact O-N 2.98Å | ||
| 308 | M | 36.9 | Very low | 37.9 | Very low | 180 Ų | 180 | 127 Ų | 127 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | -82.7 | 103.9 | 165.1 | -72.6 | -66.7 | -169.1 | 0 | 0 | 109.4 | V306 | V306-M308 HydrophobicContact CG1-CE 4.39Å; V306-M308 HydrophobicContact CG1-CG 4.39Å; V306-M308 PolarHBondContact O-N 3.07Å | ||
| 309 | G | 36.6 | Very low | 37.8 | Very low | 58 Ų | 58 | 130.1 Ų | 130.1 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 165.2 | 116.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F307 | F307-G309 PolarHBondContact O-N 2.98Š|
| 310 | T | 42.1 | Very low | 38.2 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 44.3 | 94.5 | 157.3 | 57 | 0 | 0 | 0 | 0 | 118.9 | V312 | T310-V312 PolarHBondContact O-N 3.4Š|
| 311 | Q | 43.5 | Very low | 38.5 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | 40.1 | 76.7 | 139.1 | -64.2 | -72.3 | 80.1 | 0 | 0 | 117.5 | ||||
| 312 | V | 41.1 | Very low | 38.7 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | trans | -77.6 | 127.3 | 168.2 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | T310 | T310-V312 PolarHBondContact O-N 3.4Š| ||
| 313 | P | 41.3 | Very low | 38.7 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | trans | -62.6 | 136 | 173.3 | -22.8 | 34.2 | 0 | 0 | 0 | 112.3 | G315 | P313-G315 PolarHBondContact O-N 3.11Å; P313-G315 VanDerWaalsContact O-N 3.14Å | ||
| 314 | K | 40.7 | Very low | 38.6 | Very low | 220 Ų | 220 | 133.6 Ų | 133.6 | 96% | 0.957 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 113.1 | 177.6 | -68.5 | 178.4 | 178.6 | 176.5 | 0 | 110.4 | ||
| 315 | G | 49.8 | Very low | 38.4 | Very low | 77 Ų | 77 | 134.2 Ų | 134.2 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.3 | -12.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117 | P313 | P313-G315 PolarHBondContact O-N 3.11Å; P313-G315 VanDerWaalsContact O-N 3.14Å |
| 316 | A | 38.8 | Very low | 38 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 63% | 0.628 | 77% | 0.767 | S | S | * | * | trans | -79 | 126 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 317 | V | 42.8 | Very low | 38 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | trans | -102.9 | 117 | 168.8 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | F319 | V317-F319 HydrophobicContact CG1-CD2 3.99Å; V317-F319 HydrophobicContact CG1-CE2 3.68Å | ||
| 318 | M | 35.3 | Very low | 37.7 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | trans | -91.8 | 112.2 | -179.3 | -67.1 | -67.7 | -75.6 | 0 | 0 | 111 | ||||
| 319 | F | 34.8 | Very low | 37.5 | Very low | 182 Ų | 182 | 131 Ų | 131 | 80% | 0.798 | 77% | 0.771 | S | S | * | * | trans | -97.3 | 109.2 | 168.4 | -83.3 | -85.3 | 0 | 0 | 0 | 110.6 | V317 | V317-F319 HydrophobicContact CG1-CD2 3.99Å; V317-F319 HydrophobicContact CG1-CE2 3.68Å | ||
| 320 | V | 39.5 | Very low | 37.3 | Very low | 129 Ų | 129 | 137 Ų | 137 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | trans | -86 | 111.9 | 168.9 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 321 | V | 37.4 | Very low | 36.8 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -103.9 | 110.9 | 173.7 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | Q323 | V321-Q323 PolarHBondContact O-N 2.9Š| ||
| 322 | P | 37.2 | Very low | 36.3 | Very low | 111 Ų | 111 | 132.7 Ų | 132.7 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -66.9 | 115.8 | 174.7 | -18.1 | 31.7 | 0 | 0 | 0 | 110.3 | ||||
| 323 | Q | 33.3 | Very low | 35.8 | Very low | 174 Ų | 174 | 133.6 Ų | 133.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -79.7 | 128.4 | 164.4 | -68.9 | -165.8 | 8.1 | 0 | 0 | 109.3 | V321 V325 | V321-Q323 PolarHBondContact O-N 2.9Å; Q323-V325 PolarHBondContact O-N 2.87Å; Q323-V325 VanDerWaalsContact O-N 3.08Å | ||
| 324 | P | 33.6 | Very low | 35.6 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -72.1 | 104.1 | 173.8 | 28.9 | -32.5 | 0 | 0 | 0 | 109.6 | V326 | P324-V326 PolarHBondContact O-N 3.48Š| ||
| 325 | V | 32.4 | Very low | 35.1 | Very low | 130 Ų | 130 | 129 Ų | 129 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | trans | -66.3 | 99.5 | 167.1 | 179.2 | 0 | 0 | 0 | 0 | 107.8 | Q323 Q327 | Q323-V325 PolarHBondContact O-N 2.87Å; Q323-V325 VanDerWaalsContact O-N 3.08Å; V325-Q327 PolarHBondContact O-N 3.22Å | ||
| 326 | V | 31.8 | Very low | 34.7 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -68 | 98.7 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | P324 S328 | P324-V326 PolarHBondContact O-N 3.48Å; V326-S328 PolarHBondContact O-N 3.04Å; V326-S328 VanDerWaalsContact O-N 3.09Å | ||
| 327 | Q | 33.1 | Very low | 34.6 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -62.9 | 109.8 | 171.1 | -70.7 | -175.9 | -15.1 | 0 | 0 | 109.1 | V325 S329 | V325-Q327 PolarHBondContact O-N 3.22Å; Q327-S329 PolarHBondContact O-N 3.44Å | ||
| 328 | S | 29 | Very low | 34.8 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -68.9 | 109.9 | 172.6 | 45.4 | 0 | 0 | 0 | 0 | 109.4 | V326 K330 | V326-S328 PolarHBondContact O-N 3.04Å; V326-S328 VanDerWaalsContact O-N 3.09Å; S328-K330 VanDerWaalsContact C-N 3.34Å; S328-K330 PolarHBondContact O-N 2.89Å | ||
| 329 | S | 34 | Very low | 34.8 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -73.6 | 80.3 | -175.9 | 44.5 | 0 | 0 | 0 | 0 | 112.6 | Q327 | Q327-S329 PolarHBondContact O-N 3.44Š| ||
| 330 | K | 31.9 | Very low | 34.9 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -149.1 | 117.1 | 162.3 | -150.3 | 157.9 | -170.3 | 171.2 | 0 | 112.2 | S328 | S328-K330 VanDerWaalsContact C-N 3.34Å; S328-K330 PolarHBondContact O-N 2.89Å | ||
| 331 | P | 31.3 | Very low | 34.6 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | trans | -71.1 | 149.2 | 175.2 | 30.5 | -34.5 | 0 | 0 | 0 | 110.7 | V333 | P331-V333 PolarHBondContact O-N 2.93Š| ||
| 332 | P | 33.4 | Very low | 34.5 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | trans | -69.4 | 129 | 170.8 | 29.5 | -33.1 | 0 | 0 | 0 | 110 | V334 | P332-V334 PolarHBondContact O-N 3.28Š| ||
| 333 | V | 30.9 | Very low | 34.6 | Very low | 141 Ų | 141 | 133 Ų | 133 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -76.8 | 108.8 | 171.1 | 175.7 | 0 | 0 | 0 | 0 | 108.3 | P331 S335 | P331-V333 PolarHBondContact O-N 2.93Å; V333-S335 PolarHBondContact O-N 2.89Å | ||
| 334 | V | 37.1 | Very low | 34.9 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -71.5 | 119.5 | 165.5 | 177.2 | 0 | 0 | 0 | 0 | 107.8 | P332 | P332-V334 PolarHBondContact O-N 3.28Š| ||
| 335 | S | 30.1 | Very low | 35 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -100.8 | 114 | 172.7 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | V333 N337 | V333-S335 PolarHBondContact O-N 2.89Å; S335-N337 PolarHBondContact O-N 3.41Å | ||
| 336 | P | 41.8 | Very low | 35.4 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -84 | 104.6 | 176.7 | 31.9 | -31.1 | 0 | 0 | 0 | 110.3 | ||||
| 337 | N | 36.4 | Very low | 35.7 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -179.7 | 128.9 | 135 | -90.8 | -25.9 | 0 | 0 | 0 | 110.3 | S335 T339 | S335-N337 PolarHBondContact O-N 3.41Å; N337-T339 PolarHBondContact O-N 3.36Å | ||
| 338 | G | 46.3 | Very low | 36.3 | Very low | 85 Ų | 85 | 126.9 Ų | 126.9 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | -90.2 | 103.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 339 | T | 36.3 | Very low | 37 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -125.8 | 102.9 | 163.1 | -51.2 | 0 | 0 | 0 | 0 | 109.6 | N337 L341 | N337-T339 PolarHBondContact O-N 3.36Å; T339-L341 HydrophobicContact CG2-CG 4.32Å; T339-L341 PolarHBondContact O-N 2.92Å | ||
| 340 | R | 36.5 | Very low | 37.3 | Very low | 219 Ų | 219 | 128.9 Ų | 128.9 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -78.7 | 85.8 | -176.5 | -176.4 | -169.9 | -179.6 | -83.5 | 7 | 111.2 | ||||
| 341 | L | 31.9 | Very low | 37.8 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 119.4 | 167.2 | -62.3 | -178.7 | 0 | 0 | 0 | 110.1 | T339 | T339-L341 HydrophobicContact CG2-CG 4.32Å; T339-L341 PolarHBondContact O-N 2.92Å |
| 342 | S | 35.3 | Very low | 38.2 | Very low | 76 Ų | 76 | 126.4 Ų | 126.4 | 53% | 0.531 | 79% | 0.786 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 150.9 | 174.2 | -62.9 | 0 | 0 | 0 | 0 | 111 | I344 | S342-I344 PolarHBondContact O-N 3.35Š|
| 343 | P | 39.5 | Very low | 38.4 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 122.1 | 171 | -21.4 | 33.2 | 0 | 0 | 0 | 110.9 | A345 | P343-A345 PolarHBondContact O-N 2.64Š|
| 344 | I | 40 | Very low | 39.2 | Very low | 161 Ų | 161 | 124 Ų | 124 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 126.9 | 168.5 | -64.5 | 170.8 | 0 | 0 | 0 | 107.3 | S342 | S342-I344 PolarHBondContact O-N 3.35Š|
| 345 | A | 36 | Very low | 39.4 | Very low | 86 Ų | 86 | 122 Ų | 122 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65 | 131.9 | 179 | 0 | 0 | 0 | 0 | 0 | 110.6 | P343 | P343-A345 PolarHBondContact O-N 2.64Š|
| 346 | P | 40.3 | Very low | 40.1 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 136.2 | 172.2 | -21.2 | 33.1 | 0 | 0 | 0 | 111 | ||
| 347 | A | 39 | Very low | 40 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 136.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 348 | P | 45.2 | Very low | 40.3 | Very low | 135 Ų | 135 | 126 Ų | 126 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -72.2 | 128.9 | 175.4 | 29.9 | -33.2 | 0 | 0 | 0 | 110.1 | ||
| 349 | G | 44.9 | Very low | 40.1 | Very low | 67 Ų | 67 | 126.9 Ų | 126.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | 173.1 | -24.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 350 | F | 38.9 | Very low | 40.5 | Very low | 209 Ų | 209 | 129.9 Ų | 129.9 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | trans | -123.9 | 111.9 | -176.1 | -68.3 | -77 | 0 | 0 | 0 | 113 | ||||
| 351 | S | 42.8 | Very low | 41 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -66.4 | 127.6 | 169.1 | -53.4 | 0 | 0 | 0 | 0 | 110.1 | S353 | S351-S353 PolarHBondContact O-N 3.16Š| ||
| 352 | P | 39.6 | Very low | 41.7 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | trans | -68.9 | 104.7 | 172.7 | 27.7 | -32.5 | 0 | 0 | 0 | 109.3 | ||||
| 353 | S | 38.2 | Very low | 42.8 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | trans | -52.1 | 142.7 | 169.1 | -176.3 | 0 | 0 | 0 | 0 | 109.8 | S351 A355 | S351-S353 PolarHBondContact O-N 3.16Å; S353-A355 PolarHBondContact O-N 3.01Å | ||
| 354 | A | 47 | Very low | 43.6 | Very low | 96 Ų | 96 | 121.5 Ų | 121.5 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | trans | -58.6 | 89.1 | -161.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K356 | A354-K356 PolarHBondContact O-N 3.42Š| ||
| 355 | A | 42.4 | Very low | 44.4 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -60.3 | 104 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | S353 V357 | S353-A355 PolarHBondContact O-N 3.01Å; A355-V357 VanDerWaalsContact C-N 3.34Å; A355-V357 PolarHBondContact O-N 2.66Å | ||
| 356 | K | 44.8 | Very low | 45.6 | Very low | 202 Ų | 202 | 122.7 Ų | 122.7 | 88% | 0.878 | 74% | 0.736 | S | S | * | * | trans | -62.9 | 94.4 | -175.7 | -173.1 | 173.9 | -173 | 171.3 | 0 | 109 | A354 T358 | A354-K356 PolarHBondContact O-N 3.42Å; K356-T358 PolarHBondContact O-N 3.1Å | ||
| 357 | V | 38 | Very low | 46.6 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 76% | 0.758 | 74% | 0.735 | S | S | * | * | trans | -53.7 | 103.7 | -178.8 | 176.8 | 0 | 0 | 0 | 0 | 108.3 | A355 P359 | A355-V357 VanDerWaalsContact C-N 3.34Å; A355-V357 PolarHBondContact O-N 2.66Å; V357-P359 WeakPolarHBondContact O-CD 3.38Å; V357-P359 VanDerWaalsContact O-N 3.16Å | ||
| 358 | T | 44.2 | Very low | 48.5 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | trans | -58.6 | 118.3 | 162.5 | 46.9 | 0 | 0 | 0 | 0 | 105.7 | K356 Q360 | K356-T358 PolarHBondContact O-N 3.1Å; T358-Q360 PolarHBondContact O-N 2.88Å; T358-Q360 VanDerWaalsContact O-N 3.13Å | ||
| 359 | P | 41.3 | Very low | 50.4 | Low | 102 Ų | 102 | 121.6 Ų | 121.6 | 66% | 0.662 | 69% | 0.691 | S | S | * | * | trans | -57.5 | 127 | -177.9 | 23.6 | -33.1 | 0 | 0 | 0 | 107.8 | V357 I361 | V357-P359 WeakPolarHBondContact O-CD 3.38Å; V357-P359 VanDerWaalsContact O-N 3.16Å; P359-I361 WeakPolarHBondContact O-CG1 3.16Å; P359-I361 PolarHBondContact O-N 3.48Å | ||
| 360 | Q | 44.8 | Very low | 52.3 | Low | 182 Ų | 182 | 123.1 Ų | 123.1 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | trans | -56.2 | 106.3 | 170.2 | -78.4 | -74 | 9.5 | 0 | 0 | 106.8 | T358 D362 | T358-Q360 PolarHBondContact O-N 2.88Å; T358-Q360 VanDerWaalsContact O-N 3.13Å; Q360-D362 PolarHBondContact O-N 2.85Å | ||
| 361 | I | 48 | Very low | 54.7 | Low | 130 Ų | 130 | 113.5 Ų | 113.5 | 67% | 0.667 | 64% | 0.641 | S | S | * | * | trans | -75.2 | 85.5 | 178.9 | -56.9 | -178.3 | 0 | 0 | 0 | 105.9 | P359 S363 I366 | P359-I361 WeakPolarHBondContact O-CG1 3.16Å; P359-I361 PolarHBondContact O-N 3.48Å; I361-S363 PolarHBondContact O-N 3.33Å; I361-I366 HydrophobicContact CG2-CD1 4.38Å; I361-I366 HydrophobicContact CG2-CG1 4.42Å | ||
| 362 | D | 46.7 | Very low | 56.8 | Low | 72 Ų | 72 | 113.7 Ų | 113.7 | 39% | 0.385 | 64% | 0.642 | S | S | . | * | trans | -47.6 | 108.9 | 170.8 | 167.5 | 26.7 | 0 | 0 | 0 | 109.1 | Q360 S364 R365 | Q360-D362 PolarHBondContact O-N 2.85Å; D362-S364 PolarHBondContact O-N 3.47Å; D362-S364 VanDerWaalsContact O-N 3.08Å; D362-S364 WeakPolarHBondContact OD1-CB 3.3Å; D362-S364 PolarHBondContact OD1-N 2.85Å; D362-S364 PolarHBondContact OD1-OG 3.4Å; D362-R365 HydrophobicContact CB-CB 4.48Å; D362-R365 WeakPolarHBondContact O-CB 3.28Å; D362-R365 PolarHBondContact O-N 3.35Å | ||
| 363 | S | 57.8 | Low | 58.9 | Low | 95 Ų | 95 | 111.8 Ų | 111.8 | 66% | 0.664 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -56.8 | -24.8 | 179.9 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | I361 R365 I366 | I361-S363 PolarHBondContact O-N 3.33Å; S363-R365 PolarHBondContact O-N 3.46Å; S363-I366 WeakPolarHBondContact O-CB 3.47Å; S363-I366 PolarHBondContact O-N 3.44Å |
| 364 | S | 56.9 | Low | 61.1 | Low | 107 Ų | 107 | 111.5 Ų | 111.5 | 75% | 0.748 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -67.4 | -23.3 | 175.4 | -31 | 0 | 0 | 0 | 0 | 112.7 | D362 | D362-S364 PolarHBondContact O-N 3.47Å; D362-S364 VanDerWaalsContact O-N 3.08Å; D362-S364 WeakPolarHBondContact OD1-CB 3.3Å; D362-S364 PolarHBondContact OD1-N 2.85Å; D362-S364 PolarHBondContact OD1-OG 3.4Å |
| 365 | R | 55.2 | Low | 62.8 | Low | 212 Ų | 212 | 111.4 Ų | 111.4 | 80% | 0.8 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -88.1 | -5.1 | 176.3 | -157.6 | 170.6 | -64.4 | -136.7 | -0.5 | 113.1 | D362 S363 R367 | D362-R365 HydrophobicContact CB-CB 4.48Å; D362-R365 WeakPolarHBondContact O-CB 3.28Å; D362-R365 PolarHBondContact O-N 3.35Å; S363-R365 PolarHBondContact O-N 3.46Å; R365-R367 PolarHBondContact O-N 2.87Å |
| 366 | I | 62.2 | Low | 64.9 | Low | 60 Ų | 60 | 108.3 Ų | 108.3 | 31% | 0.308 | 60% | 0.599 | S | S | . | * | trans | -75.6 | 96.7 | 174.1 | -60.3 | 179.6 | 0 | 0 | 0 | 109 | I361 S363 S368 F381 | I361-I366 HydrophobicContact CG2-CD1 4.38Å; I361-I366 HydrophobicContact CG2-CG1 4.42Å; S363-I366 WeakPolarHBondContact O-CB 3.47Å; S363-I366 PolarHBondContact O-N 3.44Å; I366-S368 PolarHBondContact O-N 3.19Å; I366-F381 HydrophobicContact CB-CE2 4.38Å; I366-F381 HydrophobicContact CD1-CE2 4.31Å; I366-F381 HydrophobicContact CG1-CE2 4.07Å; I366-F381 HydrophobicContact CG2-CD2 3.51Å; I366-F381 HydrophobicContact CG2-CE2 3.63Å | ||
| 367 | R | 60.6 | Low | 66.6 | Low | 209 Ų | 209 | 101.3 Ų | 101.3 | 79% | 0.789 | 58% | 0.584 | S | S | * | * | trans | -67.4 | 78 | 175.7 | -172.6 | 176.7 | -73.8 | 169.9 | -4.2 | 110.9 | R365 H369 | R365-R367 PolarHBondContact O-N 2.87Å; R367-H369 PolarHBondContact O-CD2 3.33Å | ||
| 368 | S | 79.9 | Confident | 68.9 | Low | 63 Ų | 63 | 100.4 Ų | 100.4 | 44% | 0.441 | 57% | 0.57 | S | S | . | * | trans | -74.9 | 130.5 | -177.5 | 70.6 | 0 | 0 | 0 | 0 | 111.8 | I366 | I366-S368 PolarHBondContact O-N 3.19Š| ||
| 369 | H | 84.3 | Confident | 71 | Confident | 58 Ų | 58 | 98.7 Ų | 98.7 | 27% | 0.269 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 105.8 | 179.7 | -67.7 | -82.2 | 0 | 0 | 0 | 109.5 | R367 Y380 S383 L386 | R367-H369 PolarHBondContact O-CD2 3.33Å; H369-Y380 WeakPolarHBondContact CB-O 3.38Å; H369-Y380 PolarHBondContact N-O 2.96Å; H369-Y380 PolarHBondContact O-N 3.46Å; H369-S383 PolarHBondContact CD2-N 3.44Å; H369-S383 PolarHBondContact NE2-N 2.98Å; H369-L386 HydrophobicContact CB-CB 3.98Å; H369-L386 HydrophobicContact CB-CD2 3.78Å; H369-L386 HydrophobicContact CB-CG 4.5Å |
| 370 | I | 85.3 | Confident | 73.2 | Confident | 98 Ų | 98 | 96.5 Ų | 96.5 | 50% | 0.503 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 141.8 | -178.8 | -46.6 | -172.4 | 0 | 0 | 0 | 110.2 | S372 T379 L386 | I370-S372 PolarHBondContact O-N 3.43Å; I370-T379 HydrophobicContact CB-CG2 4.44Å; I370-T379 HydrophobicContact CD1-CG2 4.44Å; I370-T379 HydrophobicContact CG1-CG2 3.94Å; I370-T379 HydrophobicContact CG2-CG2 4.27Å; I370-L386 WeakPolarHBondContact O-CD2 3.43Å |
| 371 | C | 89.6 | Confident | 75.1 | Confident | 7 Ų | 7 | 94.5 Ų | 94.5 | 5% | 0.047 | 53% | 0.527 | C | S | . | . | trans | -76.5 | 115.8 | 173.4 | -167.8 | 0 | 0 | 0 | 0 | 112 | H373 C376 K378 L386 | C371-H373 PolarHBondContact O-N 3.21Å; C371-H373 VanDerWaalsContact O-N 3.13Å; C371-C376 HydrophobicContact CB-CB 4.47Å; C371-K378 WeakPolarHBondContact CB-O 3.47Å; C371-K378 PolarHBondContact N-O 3.1Å; C371-L386 HydrophobicContact CB-CD1 3.8Å | ||
| 372 | S | 85.6 | Confident | 76.9 | Confident | 122 Ų | 122 | 93.7 Ų | 93.7 | 85% | 0.853 | 52% | 0.519 | S | S | * | . | trans | -70.9 | 4.1 | 177.9 | -41.7 | 0 | 0 | 0 | 0 | 115 | I370 | I370-S372 PolarHBondContact O-N 3.43Š| ||
| 373 | H | 85.1 | Confident | 78.7 | Confident | 84 Ų | 84 | 93.8 Ų | 93.8 | 39% | 0.389 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -80.5 | 131.2 | 180 | -169.4 | 75.2 | 0 | 0 | 0 | 110.8 | C371 G375 C376 H393 | C371-H373 PolarHBondContact O-N 3.21Å; C371-H373 VanDerWaalsContact O-N 3.13Å; H373-G375 PolarHBondContact O-N 3.15Å; H373-C376 HydrophobicContact CB-CB 4.14Å; H373-C376 WeakPolarHBondContact O-CB 3.47Å; H373-C376 PolarHBondContact O-N 3.47Å; H373-C376 VanDerWaalsContact O-N 3.08Å; H373-H393 AromaticContact CD2-CE1 3.18Å; H373-H393 PolarHBondContact CD2-CE1 3.33Å; H373-H393 AromaticContact CD2-CG 3.64Å; H373-H393 AromaticContact CD2-ND1 3.26Å; H373-H393 PolarHBondContact CD2-ND1 3.31Å; H373-H393 VanDerWaalsContact CD2-ND1 3.26Å; H373-H393 AromaticContact CD2-NE2 3.72Å; H373-H393 AromaticContact CE1-CE1 3.93Å; H373-H393 AromaticContact CG-CD2 3.76Å; H373-H393 AromaticContact CG-CE1 3.9Å; H373-H393 AromaticContact CG-CG 3.59Å; H373-H393 AromaticContact CG-ND1 3.72Å; H373-H393 AromaticContact ND1-CG 3.95Å; H373-H393 AromaticContact NE2-CE1 3.18Å; H373-H393 PolarHBondContact NE2-CE1 3.31Å; H373-H393 AromaticContact NE2-CG 3.99Å; H373-H393 AromaticContact NE2-ND1 3.61Å |
| 374 | P | 84.1 | Confident | 79.9 | Confident | 109 Ų | 109 | 92.5 Ų | 92.5 | 71% | 0.708 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 137.1 | 179.8 | -28.9 | 36 | 0 | 0 | 0 | 112.8 | C376 | P374-C376 PolarHBondContact O-N 3.37Å; P374-C376 VanDerWaalsContact O-N 3.08Å |
| 375 | G | 82.1 | Confident | 81.3 | Confident | 95 Ų | 95 | 92.1 Ų | 92.1 | 98% | 0.979 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 1.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | H373 | H373-G375 PolarHBondContact O-N 3.15Š|
| 376 | C | 85.7 | Confident | 82.8 | Confident | 20 Ų | 20 | 83.4 Ų | 83.4 | 14% | 0.135 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -49.3 | -177 | -161.7 | 0 | 0 | 0 | 0 | 114.3 | C371 H373 P374 K378 H389 H393 | C371-C376 HydrophobicContact CB-CB 4.47Å; H373-C376 HydrophobicContact CB-CB 4.14Å; H373-C376 WeakPolarHBondContact O-CB 3.47Å; H373-C376 PolarHBondContact O-N 3.47Å; H373-C376 VanDerWaalsContact O-N 3.08Å; P374-C376 PolarHBondContact O-N 3.37Å; P374-C376 VanDerWaalsContact O-N 3.08Å; C376-K378 PolarHBondContact O-N 3.03Å; C376-H389 PolarHBondContact SG-NE2 3.12Å; C376-H393 WeakPolarHBondContact CB-NE2 3.23Å; C376-H393 PolarHBondContact SG-NE2 2.91Å |
| 377 | G | 81.9 | Confident | 83.8 | Confident | 55 Ų | 55 | 87.5 Ų | 87.5 | 57% | 0.567 | 49% | 0.487 | S | S | * | . | trans | 63.7 | -4.9 | 174 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 378 | K | 86.2 | Confident | 84.9 | Confident | 107 Ų | 107 | 78.8 Ų | 78.8 | 47% | 0.465 | 46% | 0.46 | S | S | . | . | trans | -68.1 | 134.3 | -172.5 | -68.8 | 172.6 | -169.8 | 168.4 | 0 | 112.4 | C371 C376 Y380 | C371-K378 WeakPolarHBondContact CB-O 3.47Å; C371-K378 PolarHBondContact N-O 3.1Å; C376-K378 PolarHBondContact O-N 3.03Å; K378-Y380 HydrophobicContact CB-CE2 3.6Å | ||
| 379 | T | 87 | Confident | 85.1 | Confident | 85 Ų | 85 | 76.4 Ų | 76.4 | 52% | 0.521 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 147.1 | 179.6 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | I370 | I370-T379 HydrophobicContact CB-CG2 4.44Å; I370-T379 HydrophobicContact CD1-CG2 4.44Å; I370-T379 HydrophobicContact CG1-CG2 3.94Å; I370-T379 HydrophobicContact CG2-CG2 4.27Å |
| 380 | Y | 87.2 | Confident | 85.1 | Confident | 57 Ų | 57 | 76.2 Ų | 76.2 | 22% | 0.224 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 132.1 | -175 | -65.2 | -87.2 | 0 | 0 | 0 | 111.6 | H369 K378 K382 H385 L386 H389 | H369-Y380 WeakPolarHBondContact CB-O 3.38Å; H369-Y380 PolarHBondContact N-O 2.96Å; H369-Y380 PolarHBondContact O-N 3.46Å; K378-Y380 HydrophobicContact CB-CE2 3.6Å; Y380-K382 PolarHBondContact O-N 2.86Å; Y380-H385 HydrophobicContact CD1-CB 3.68Å; Y380-H385 HydrophobicContact CG-CB 4.18Å; Y380-L386 HydrophobicContact CD2-CB 4.16Å; Y380-L386 HydrophobicContact CD2-CD1 4.14Å; Y380-L386 HydrophobicContact CE2-CD1 4.46Å; Y380-L386 HydrophobicContact CG-CB 4.4Å; Y380-H389 HydrophobicContact CE1-CB 4.38Å; Y380-H389 HydrophobicContact CE2-CB 4.06Å; Y380-H389 AromaticContact CE2-CD2 3.24Å; Y380-H389 WeakPolarHBondContact CE2-CD2 3.48Å; Y380-H389 AromaticContact CE2-CG 3.86Å; Y380-H389 AromaticContact CZ-CD2 3.52Å; Y380-H389 AromaticContact CZ-CG 3.69Å; Y380-H389 PolarHBondContact OH-CD2 3Å; Y380-H389 VanDerWaalsContact OH-CG 3.24Å |
| 381 | F | 86.1 | Confident | 85 | Confident | 140 Ų | 140 | 74.2 Ų | 74.2 | 61% | 0.614 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -62.5 | -26.2 | 175.4 | -168.3 | -79.8 | 0 | 0 | 0 | 113.2 | I366 | I366-F381 HydrophobicContact CB-CE2 4.38Å; I366-F381 HydrophobicContact CD1-CE2 4.31Å; I366-F381 HydrophobicContact CG1-CE2 4.07Å; I366-F381 HydrophobicContact CG2-CD2 3.51Å; I366-F381 HydrophobicContact CG2-CE2 3.63Å |
| 382 | K | 84.8 | Confident | 84.6 | Confident | 113 Ų | 113 | 78 Ų | 78 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -121.6 | 132.3 | -175.3 | -59.3 | -172.9 | -179.5 | -177.4 | 0 | 111.2 | Y380 S384 H385 L386 | Y380-K382 PolarHBondContact O-N 2.86Å; K382-S384 PolarHBondContact O-N 3.33Å; K382-H385 HydrophobicContact CB-CB 4.38Å; K382-H385 WeakPolarHBondContact O-CB 3.46Å; K382-H385 PolarHBondContact O-N 2.94Å; K382-L386 PolarHBondContact O-N 2.97Å; K382-L386 VanDerWaalsContact O-N 3.15Å |
| 383 | S | 84.4 | Confident | 84.4 | Confident | 73 Ų | 73 | 75.9 Ų | 75.9 | 51% | 0.51 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -54.8 | -35.6 | 173.1 | 57.4 | 0 | 0 | 0 | 0 | 112.8 | H369 H385 L386 K387 | H369-S383 PolarHBondContact CD2-N 3.44Å; H369-S383 PolarHBondContact NE2-N 2.98Å; S383-H385 VanDerWaalsContact C-N 3.32Å; S383-H385 PolarHBondContact O-N 3.34Å; S383-L386 PolarHBondContact O-N 3.33Å; S383-K387 WeakPolarHBondContact O-CB 3.4Å; S383-K387 PolarHBondContact O-N 3.27Å |
| 384 | S | 83.9 | Confident | 84.1 | Confident | 69 Ų | 69 | 75.9 Ų | 75.9 | 48% | 0.483 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.8 | -34 | 174.4 | 58 | 0 | 0 | 0 | 0 | 113.2 | K382 A388 | K382-S384 PolarHBondContact O-N 3.33Å; S384-A388 VanDerWaalsContact O-CB 3.31Å; S384-A388 WeakPolarHBondContact O-CB 3.31Å; S384-A388 PolarHBondContact O-N 2.83Å |
| 385 | H | 85.3 | Confident | 83.9 | Confident | 98 Ų | 98 | 72.9 Ų | 72.9 | 45% | 0.454 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -74.1 | -40.2 | 175.7 | -65.2 | -171.8 | 0 | 0 | 0 | 110.8 | Y380 K382 S383 A388 H389 | Y380-H385 HydrophobicContact CD1-CB 3.68Å; Y380-H385 HydrophobicContact CG-CB 4.18Å; K382-H385 HydrophobicContact CB-CB 4.38Å; K382-H385 WeakPolarHBondContact O-CB 3.46Å; K382-H385 PolarHBondContact O-N 2.94Å; S383-H385 VanDerWaalsContact C-N 3.32Å; S383-H385 PolarHBondContact O-N 3.34Å; H385-A388 PolarHBondContact O-N 2.9Å; H385-H389 WeakPolarHBondContact O-CB 3.42Å; H385-H389 PolarHBondContact O-N 3.33Å |
| 386 | L | 86.9 | Confident | 83.9 | Confident | 29 Ų | 29 | 73 Ų | 73 | 15% | 0.152 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 171 | 174.4 | 59.8 | 0 | 0 | 0 | 111.1 | H369 I370 C371 Y380 K382 S383 A388 H389 T390 | H369-L386 HydrophobicContact CB-CB 3.98Å; H369-L386 HydrophobicContact CB-CD2 3.78Å; H369-L386 HydrophobicContact CB-CG 4.5Å; I370-L386 WeakPolarHBondContact O-CD2 3.43Å; C371-L386 HydrophobicContact CB-CD1 3.8Å; Y380-L386 HydrophobicContact CD2-CB 4.16Å; Y380-L386 HydrophobicContact CD2-CD1 4.14Å; Y380-L386 HydrophobicContact CE2-CD1 4.46Å; Y380-L386 HydrophobicContact CG-CB 4.4Å; K382-L386 PolarHBondContact O-N 2.97Å; K382-L386 VanDerWaalsContact O-N 3.15Å; S383-L386 PolarHBondContact O-N 3.33Å; L386-A388 VanDerWaalsContact C-N 3.28Å; L386-A388 PolarHBondContact O-N 2.95Å; L386-H389 CarbonylContact O-C 3.51Å; L386-H389 WeakPolarHBondContact O-CA 3.44Å; L386-H389 WeakPolarHBondContact O-CB 3.41Å; L386-H389 PolarHBondContact O-N 3.4Å; L386-T390 HydrophobicContact CD1-CG2 4Å; L386-T390 HydrophobicContact CG-CG2 4.37Å; L386-T390 PolarHBondContact O-N 2.9Å |
| 387 | K | 84.1 | Confident | 83.7 | Confident | 146 Ų | 146 | 78 Ų | 78 | 64% | 0.635 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.8 | -28 | 178.7 | -169.6 | 171.1 | -175.5 | 173.3 | 0 | 113.3 | S383 T390 | S383-K387 WeakPolarHBondContact O-CB 3.4Å; S383-K387 PolarHBondContact O-N 3.27Å; K387-T390 PolarHBondContact O-OG1 3.26Å |
| 388 | A | 83 | Confident | 83.7 | Confident | 27 Ų | 27 | 78.4 Ų | 78.4 | 22% | 0.223 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -75.1 | -27.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.5 | S384 H385 L386 R412 | S384-A388 VanDerWaalsContact O-CB 3.31Å; S384-A388 WeakPolarHBondContact O-CB 3.31Å; S384-A388 PolarHBondContact O-N 2.83Å; H385-A388 PolarHBondContact O-N 2.9Å; L386-A388 VanDerWaalsContact C-N 3.28Å; L386-A388 PolarHBondContact O-N 2.95Å; A388-R412 HydrophobicContact CB-CG 4.38Å |
| 389 | H | 85.1 | Confident | 83.6 | Confident | 13 Ų | 13 | 76.2 Ų | 76.2 | 6% | 0.06 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -81.6 | -38.1 | 176.5 | 169.8 | 38.2 | 0 | 0 | 0 | 113.3 | C376 Y380 H385 L386 R391 T392 H393 | C376-H389 PolarHBondContact SG-NE2 3.12Å; Y380-H389 HydrophobicContact CE1-CB 4.38Å; Y380-H389 HydrophobicContact CE2-CB 4.06Å; Y380-H389 AromaticContact CE2-CD2 3.24Å; Y380-H389 WeakPolarHBondContact CE2-CD2 3.48Å; Y380-H389 AromaticContact CE2-CG 3.86Å; Y380-H389 AromaticContact CZ-CD2 3.52Å; Y380-H389 AromaticContact CZ-CG 3.69Å; Y380-H389 PolarHBondContact OH-CD2 3Å; Y380-H389 VanDerWaalsContact OH-CG 3.24Å; H385-H389 WeakPolarHBondContact O-CB 3.42Å; H385-H389 PolarHBondContact O-N 3.33Å; L386-H389 CarbonylContact O-C 3.51Å; L386-H389 WeakPolarHBondContact O-CA 3.44Å; L386-H389 WeakPolarHBondContact O-CB 3.41Å; L386-H389 PolarHBondContact O-N 3.4Å; H389-R391 PolarHBondContact O-N 3.18Å; H389-R391 VanDerWaalsContact O-N 3.07Å; H389-T392 PolarHBondContact CE1-OG1 3.45Å; H389-T392 PolarHBondContact ND1-OG1 3.21Å; H389-T392 WeakPolarHBondContact O-CB 3.4Å; H389-T392 PolarHBondContact O-N 2.92Å; H389-T392 PolarHBondContact O-OG1 2.91Å; H389-H393 AromaticContact CE1-CD2 3.94Å; H389-H393 AromaticContact CE1-NE2 3.99Å |
| 390 | T | 83.6 | Confident | 83.6 | Confident | 53 Ų | 53 | 74.7 Ų | 74.7 | 33% | 0.325 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.8 | -29.1 | 178.9 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | L386 K387 T392 H393 T394 | L386-T390 HydrophobicContact CD1-CG2 4Å; L386-T390 HydrophobicContact CG-CG2 4.37Å; L386-T390 PolarHBondContact O-N 2.9Å; K387-T390 PolarHBondContact O-OG1 3.26Å; T390-T392 PolarHBondContact O-N 3.24Å; T390-H393 WeakPolarHBondContact O-CA 3.41Å; T390-H393 WeakPolarHBondContact O-CB 3.37Å; T390-H393 PolarHBondContact O-N 2.72Å; T390-T394 PolarHBondContact O-N 3.18Å; T390-T394 VanDerWaalsContact O-N 3.1Å |
| 391 | R | 83.1 | Confident | 83.7 | Confident | 56 Ų | 56 | 72.6 Ų | 72.6 | 21% | 0.211 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.6 | -19.8 | 170.2 | -65.9 | -175.7 | 176.5 | 145.8 | 2.2 | 115.4 | H389 G395 E396 A411 | H389-R391 PolarHBondContact O-N 3.18Å; H389-R391 VanDerWaalsContact O-N 3.07Å; R391-G395 WeakPolarHBondContact O-CA 3.15Å; R391-G395 PolarHBondContact O-N 3.38Å; R391-E396 HydrophobicContact CB-CB 4.23Å; R391-E396 HydrophobicContact CG-CB 4Å; R391-E396 IonicContact NE-OE2 3.61Å; R391-E396 PolarHBondContact O-N 2.8Å; R391-A411 HydrophobicContact CB-CB 4Å; R391-A411 VanDerWaalsContact CD-O 3.3Å; R391-A411 WeakPolarHBondContact CD-O 3.38Å; R391-A411 PolarHBondContact NH1-O 3.46Å; R391-A411 VanDerWaalsContact NH1-O 3.13Å |
| 392 | T | 81 | Confident | 83.7 | Confident | 87 Ų | 87 | 71.4 Ų | 71.4 | 53% | 0.534 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74.1 | -17.4 | 170.8 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | H389 T390 | H389-T392 PolarHBondContact CE1-OG1 3.45Å; H389-T392 PolarHBondContact ND1-OG1 3.21Å; H389-T392 WeakPolarHBondContact O-CB 3.4Å; H389-T392 PolarHBondContact O-N 2.92Å; H389-T392 PolarHBondContact O-OG1 2.91Å; T390-T392 PolarHBondContact O-N 3.24Å |
| 393 | H | 81.9 | Confident | 83.7 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 36% | 0.356 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -94.4 | -42.1 | 173.6 | -57.2 | -59.3 | 0 | 0 | 0 | 112 | H373 C376 H389 T390 G395 | H373-H393 AromaticContact CD2-CE1 3.18Å; H373-H393 PolarHBondContact CD2-CE1 3.33Å; H373-H393 AromaticContact CD2-CG 3.64Å; H373-H393 AromaticContact CD2-ND1 3.26Å; H373-H393 PolarHBondContact CD2-ND1 3.31Å; H373-H393 VanDerWaalsContact CD2-ND1 3.26Å; H373-H393 AromaticContact CD2-NE2 3.72Å; H373-H393 AromaticContact CE1-CE1 3.93Å; H373-H393 AromaticContact CG-CD2 3.76Å; H373-H393 AromaticContact CG-CE1 3.9Å; H373-H393 AromaticContact CG-CG 3.59Å; H373-H393 AromaticContact CG-ND1 3.72Å; H373-H393 AromaticContact ND1-CG 3.95Å; H373-H393 AromaticContact NE2-CE1 3.18Å; H373-H393 PolarHBondContact NE2-CE1 3.31Å; H373-H393 AromaticContact NE2-CG 3.99Å; H373-H393 AromaticContact NE2-ND1 3.61Å; C376-H393 WeakPolarHBondContact CB-NE2 3.23Å; C376-H393 PolarHBondContact SG-NE2 2.91Å; H389-H393 AromaticContact CE1-CD2 3.94Å; H389-H393 AromaticContact CE1-NE2 3.99Å; T390-H393 WeakPolarHBondContact O-CA 3.41Å; T390-H393 WeakPolarHBondContact O-CB 3.37Å; T390-H393 PolarHBondContact O-N 2.72Å; H393-G395 VanDerWaalsContact C-N 3.26Å; H393-G395 PolarHBondContact O-N 2.94Å |
| 394 | T | 79.8 | Confident | 83.6 | Confident | 85 Ų | 85 | 78.4 Ų | 78.4 | 52% | 0.521 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -77.4 | -10.4 | 176.6 | 65 | 0 | 0 | 0 | 0 | 113.5 | T390 E396 | T390-T394 PolarHBondContact O-N 3.18Å; T390-T394 VanDerWaalsContact O-N 3.1Å; T394-E396 WeakPolarHBondContact CB-OE1 3.48Å; T394-E396 PolarHBondContact O-N 2.92Å; T394-E396 VanDerWaalsContact OG1-CD 3.24Å; T394-E396 WeakPolarHBondContact OG1-CG 3.39Å; T394-E396 PolarHBondContact OG1-OE1 3.09Å |
| 395 | G | 80 | Confident | 83.4 | Confident | 45 Ų | 45 | 79.2 Ų | 79.2 | 46% | 0.464 | 44% | 0.436 | S | S | . | . | trans | 72.2 | 0.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | R391 H393 K397 | R391-G395 WeakPolarHBondContact O-CA 3.15Å; R391-G395 PolarHBondContact O-N 3.38Å; H393-G395 VanDerWaalsContact C-N 3.26Å; H393-G395 PolarHBondContact O-N 2.94Å; G395-K397 WeakPolarHBondContact O-CG 3.31Å; G395-K397 PolarHBondContact O-N 3.1Å | ||
| 396 | E | 80.6 | Confident | 83.5 | Confident | 99 Ų | 99 | 75.5 Ų | 75.5 | 46% | 0.463 | 42% | 0.42 | S | S | . | . | trans | -56.3 | 121.8 | -177.4 | -82.3 | 168.1 | -124 | 0 | 0 | 113 | R391 T394 P398 A411 | R391-E396 HydrophobicContact CB-CB 4.23Å; R391-E396 HydrophobicContact CG-CB 4Å; R391-E396 IonicContact NE-OE2 3.61Å; R391-E396 PolarHBondContact O-N 2.8Å; T394-E396 WeakPolarHBondContact CB-OE1 3.48Å; T394-E396 PolarHBondContact O-N 2.92Å; T394-E396 VanDerWaalsContact OG1-CD 3.24Å; T394-E396 WeakPolarHBondContact OG1-CG 3.39Å; T394-E396 PolarHBondContact OG1-OE1 3.09Å; E396-P398 VanDerWaalsContact C-CD 3.42Å; E396-P398 WeakPolarHBondContact O-CD 3.2Å; E396-A411 WeakPolarHBondContact O-CA 3.43Å; E396-A411 WeakPolarHBondContact O-CB 3.41Å | ||
| 397 | K | 82.4 | Confident | 83.4 | Confident | 124 Ų | 124 | 82.9 Ų | 82.9 | 54% | 0.539 | 45% | 0.454 | S | S | . | . | trans | -122 | 68.7 | 177.8 | -68.6 | 160.3 | -171 | 171.1 | 0 | 111 | G395 F399 R409 F410 | G395-K397 WeakPolarHBondContact O-CG 3.31Å; G395-K397 PolarHBondContact O-N 3.1Å; K397-F399 PolarHBondContact O-N 2.77Å; K397-R409 HydrophobicContact CB-CB 3.62Å; K397-F410 CarbonylContact C-O 3.51Å; K397-F410 VanDerWaalsContact C-O 3.3Å; K397-F410 VanDerWaalsContact CA-O 3.29Å; K397-F410 WeakPolarHBondContact CA-O 3.41Å | ||
| 398 | P | 81.5 | Confident | 83.5 | Confident | 64 Ų | 64 | 83.5 Ų | 83.5 | 42% | 0.416 | 45% | 0.452 | S | S | . | . | trans | -67.4 | -22.3 | -176.1 | 27 | -34.8 | 0 | 0 | 0 | 113.6 | E396 S400 | E396-P398 VanDerWaalsContact C-CD 3.42Å; E396-P398 WeakPolarHBondContact O-CD 3.2Å; P398-S400 PolarHBondContact O-N 2.92Å | ||
| 399 | F | 83.5 | Confident | 83.7 | Confident | 61 Ų | 61 | 89.3 Ų | 89.3 | 27% | 0.268 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 90.4 | -176.1 | -57 | -72.6 | 0 | 0 | 0 | 111.2 | K397 R409 F410 L416 | K397-F399 PolarHBondContact O-N 2.77Å; F399-R409 CarbonylContact O-C 3.3Å; F399-R409 WeakPolarHBondContact O-CA 3.38Å; F399-F410 HydrophobicContact CB-CB 4.4Å; F399-F410 WeakPolarHBondContact CB-O 3.42Å; F399-F410 WeakPolarHBondContact CD2-O 3.3Å; F399-F410 PolarHBondContact N-O 2.73Å; F399-F410 VanDerWaalsContact N-O 3.08Å; F399-F410 WeakPolarHBondContact O-CD2 3.39Å; F399-F410 PolarHBondContact O-N 3.3Å; F399-L416 HydrophobicContact CB-CB 4.02Å; F399-L416 HydrophobicContact CB-CD2 3.81Å |
| 400 | S | 86.7 | Confident | 83.7 | Confident | 52 Ų | 52 | 90.4 Ų | 90.4 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 147.7 | 171.1 | 43 | 0 | 0 | 0 | 0 | 112.5 | P398 L416 | P398-S400 PolarHBondContact O-N 2.92Å; S400-L416 WeakPolarHBondContact O-CD2 3.32Å |
| 401 | C | 90.3 | Very high | 83.7 | Confident | 14 Ų | 14 | 88.8 Ų | 88.8 | 10% | 0.095 | 47% | 0.466 | C | S | . | . | trans | -70 | 142 | 165.7 | -153.2 | 0 | 0 | 0 | 0 | 110 | C406 R408 L416 H423 | C401-C406 HydrophobicContact CB-CB 4.46Å; C401-R408 PolarHBondContact N-O 3.13Å; C401-L416 HydrophobicContact CB-CD1 4.03Å; C401-H423 PolarHBondContact SG-NE2 2.93Å | ||
| 402 | S | 85.9 | Confident | 83.6 | Confident | 115 Ų | 115 | 90.3 Ų | 90.3 | 80% | 0.804 | 47% | 0.471 | S | S | * | . | trans | -101.8 | 9.5 | 176.9 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 403 | W | 84.1 | Confident | 83.8 | Confident | 127 Ų | 127 | 89.2 Ų | 89.2 | 48% | 0.481 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -78.3 | 134.1 | 179.4 | -169.2 | -87 | 0 | 0 | 0 | 110.8 | G405 C406 H423 | W403-G405 PolarHBondContact O-N 2.79Å; W403-C406 HydrophobicContact CB-CB 4.13Å; W403-C406 PolarHBondContact O-N 2.75Å; W403-H423 AromaticContact CD1-CE1 3.78Å; W403-H423 AromaticContact CD1-CG 3.92Å; W403-H423 AromaticContact CD1-ND1 3.52Å; W403-H423 HydrophobicContact CD2-CB 3.52Å; W403-H423 AromaticContact CD2-CG 3.61Å; W403-H423 AromaticContact CD2-ND1 4Å; W403-H423 AromaticContact CE2-CG 4Å; W403-H423 HydrophobicContact CE3-CB 3.61Å; W403-H423 HydrophobicContact CG-CB 4.07Å; W403-H423 AromaticContact CG-CD2 3.77Å; W403-H423 AromaticContact CG-CE1 3.86Å; W403-H423 AromaticContact CG-CG 3.57Å; W403-H423 AromaticContact CG-ND1 3.64Å; W403-H423 AromaticContact CG-NE2 3.97Å; W403-H423 HydrophobicContact CH2-CB 4.08Å; W403-H423 HydrophobicContact CZ2-CB 4.01Å; W403-H423 HydrophobicContact CZ3-CB 3.89Å; W403-H423 AromaticContact NE1-ND1 3.8Å |
| 404 | K | 82.3 | Confident | 83.8 | Confident | 205 Ų | 205 | 89.2 Ų | 89.2 | 89% | 0.891 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 121 | -178.5 | -170.5 | 175.1 | -178.3 | 177.9 | 0 | 110.3 | ||
| 405 | G | 81.4 | Confident | 84.1 | Confident | 87 Ų | 87 | 87.2 Ų | 87.2 | 90% | 0.897 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 18.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | W403 | W403-G405 PolarHBondContact O-N 2.79Š|
| 406 | C | 86.1 | Confident | 84.4 | Confident | 19 Ų | 19 | 86.6 Ų | 86.6 | 13% | 0.128 | 44% | 0.44 | C | S | . | . | trans | -127.2 | 100.2 | 173.5 | -160.5 | 0 | 0 | 0 | 0 | 113.6 | C401 W403 R408 H419 H423 | C401-C406 HydrophobicContact CB-CB 4.46Å; W403-C406 HydrophobicContact CB-CB 4.13Å; W403-C406 PolarHBondContact O-N 2.75Å; C406-R408 VanDerWaalsContact C-N 3.26Å; C406-R408 PolarHBondContact O-N 3.01Å; C406-H419 PolarHBondContact SG-NE2 3.1Å; C406-H419 VanDerWaalsContact SG-NE2 3.43Å; C406-H423 VanDerWaalsContact SG-CE1 3.57Å | ||
| 407 | E | 85.2 | Confident | 84.6 | Confident | 185 Ų | 185 | 84.4 Ų | 84.4 | 86% | 0.864 | 44% | 0.436 | S | S | * | . | trans | -84.6 | 9.5 | -177.9 | -55.5 | -173.4 | 165.6 | 0 | 0 | 114.1 | R409 | E407-R409 VanDerWaalsContact O-CG 3.31Å; E407-R409 WeakPolarHBondContact O-CG 3.46Å; E407-R409 PolarHBondContact O-N 3.27Å | ||
| 408 | R | 85.1 | Confident | 84.7 | Confident | 158 Ų | 158 | 82.4 Ų | 82.4 | 60% | 0.596 | 43% | 0.425 | S | S | * | . | trans | -64.2 | 127.9 | -174.8 | -75.9 | -177.7 | 165.6 | 155.3 | -0.7 | 111.6 | C401 C406 F410 | C401-R408 PolarHBondContact N-O 3.13Å; C406-R408 VanDerWaalsContact C-N 3.26Å; C406-R408 PolarHBondContact O-N 3.01Å; R408-F410 HydrophobicContact CB-CE2 3.75Å; R408-F410 HydrophobicContact CB-CZ 3.71Å; R408-F410 WeakPolarHBondContact O-CE2 3.33Å | ||
| 409 | R | 87.6 | Confident | 84.9 | Confident | 149 Ų | 149 | 80 Ų | 80 | 56% | 0.562 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 143.6 | 178.8 | -41.3 | -175.2 | 83.7 | 117.7 | 2.2 | 111.5 | K397 F399 E407 | K397-R409 HydrophobicContact CB-CB 3.62Å; F399-R409 CarbonylContact O-C 3.3Å; F399-R409 WeakPolarHBondContact O-CA 3.38Å; E407-R409 VanDerWaalsContact O-CG 3.31Å; E407-R409 WeakPolarHBondContact O-CG 3.46Å; E407-R409 PolarHBondContact O-N 3.27Å |
| 410 | F | 85.2 | Confident | 85 | Confident | 36 Ų | 36 | 84 Ų | 84 | 16% | 0.158 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150.9 | -171.8 | -54.6 | -87.2 | 0 | 0 | 0 | 112.3 | K397 F399 R408 R412 E415 L416 H419 | K397-F410 CarbonylContact C-O 3.51Å; K397-F410 VanDerWaalsContact C-O 3.3Å; K397-F410 VanDerWaalsContact CA-O 3.29Å; K397-F410 WeakPolarHBondContact CA-O 3.41Å; F399-F410 HydrophobicContact CB-CB 4.4Å; F399-F410 WeakPolarHBondContact CB-O 3.42Å; F399-F410 WeakPolarHBondContact CD2-O 3.3Å; F399-F410 PolarHBondContact N-O 2.73Å; F399-F410 VanDerWaalsContact N-O 3.08Å; F399-F410 WeakPolarHBondContact O-CD2 3.39Å; F399-F410 PolarHBondContact O-N 3.3Å; R408-F410 HydrophobicContact CB-CE2 3.75Å; R408-F410 HydrophobicContact CB-CZ 3.71Å; R408-F410 WeakPolarHBondContact O-CE2 3.33Å; F410-R412 VanDerWaalsContact C-N 3.35Å; F410-E415 HydrophobicContact CB-CB 4.18Å; F410-E415 HydrophobicContact CB-CG 4.3Å; F410-E415 HydrophobicContact CD1-CB 4.2Å; F410-E415 HydrophobicContact CD1-CG 3.46Å; F410-E415 VanDerWaalsContact CD1-CG 3.46Å; F410-E415 HydrophobicContact CE1-CG 4.13Å; F410-E415 HydrophobicContact CG-CB 4.38Å; F410-E415 HydrophobicContact CG-CG 4.12Å; F410-L416 HydrophobicContact CD2-CB 4.01Å; F410-L416 HydrophobicContact CD2-CD1 4.08Å; F410-L416 HydrophobicContact CE2-CD1 4.21Å; F410-L416 HydrophobicContact CG-CB 4.5Å; F410-H419 HydrophobicContact CE1-CB 4.28Å; F410-H419 HydrophobicContact CE2-CB 4.06Å; F410-H419 AromaticContact CE2-CD2 3.28Å; F410-H419 WeakPolarHBondContact CE2-CD2 3.5Å; F410-H419 AromaticContact CE2-CG 3.9Å; F410-H419 HydrophobicContact CZ-CB 3.68Å; F410-H419 AromaticContact CZ-CD2 3.27Å; F410-H419 WeakPolarHBondContact CZ-CD2 3.33Å; F410-H419 AromaticContact CZ-CG 3.5Å |
| 411 | A | 83.8 | Confident | 84.8 | Confident | 20 Ų | 20 | 86.6 Ų | 86.6 | 17% | 0.165 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -77.8 | -17.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R391 E396 | R391-A411 HydrophobicContact CB-CB 4Å; R391-A411 VanDerWaalsContact CD-O 3.3Å; R391-A411 WeakPolarHBondContact CD-O 3.38Å; R391-A411 PolarHBondContact NH1-O 3.46Å; R391-A411 VanDerWaalsContact NH1-O 3.13Å; E396-A411 WeakPolarHBondContact O-CA 3.43Å; E396-A411 WeakPolarHBondContact O-CB 3.41Å |
| 412 | R | 82.1 | Confident | 84.5 | Confident | 87 Ų | 87 | 89.5 Ų | 89.5 | 33% | 0.328 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -135 | 145.6 | -172.1 | -44.2 | -175.6 | -55.9 | 112.3 | 15.9 | 111.1 | A388 F410 D414 E415 L416 | A388-R412 HydrophobicContact CB-CG 4.38Å; F410-R412 VanDerWaalsContact C-N 3.35Å; R412-D414 WeakPolarHBondContact CB-OD1 3.35Å; R412-D414 IonicContact CZ-OD1 3.11Å; R412-D414 IonicContact CZ-OD2 3.19Å; R412-D414 IonicContact NE-OD1 2.67Å; R412-D414 IonicContact NH1-OD1 3.48Å; R412-D414 PolarHBondContact NH1-OD1 2.96Å; R412-D414 IonicContact NH1-OD2 2.78Å; R412-D414 PolarHBondContact NH1-OD2 2.97Å; R412-D414 IonicContact NH2-OD1 3.14Å; R412-D414 PolarHBondContact NH2-OD1 3.13Å; R412-D414 IonicContact NH2-OD2 2.76Å; R412-D414 PolarHBondContact NH2-OD2 3.07Å; R412-E415 HydrophobicContact CB-CB 4.3Å; R412-E415 IonicContact NH2-OE2 3.12Å; R412-E415 PolarHBondContact NH2-OE2 3.01Å; R412-E415 WeakPolarHBondContact O-CB 3.5Å; R412-E415 PolarHBondContact O-N 2.83Å; R412-L416 PolarHBondContact O-N 2.98Å |
| 413 | S | 83.8 | Confident | 84.3 | Confident | 65 Ų | 65 | 86.4 Ų | 86.4 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -77 | -31.5 | -175.1 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | E415 L416 S417 | S413-E415 VanDerWaalsContact C-N 3.28Å; S413-L416 PolarHBondContact O-N 3.43Å; S413-S417 WeakPolarHBondContact O-CB 3.34Å; S413-S417 PolarHBondContact O-N 3.16Å; S413-S417 PolarHBondContact O-OG 2.95Å |
| 414 | D | 82.9 | Confident | 84.1 | Confident | 76 Ų | 76 | 83.6 Ų | 83.6 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 171.6 | 69.2 | -49.3 | 0 | 0 | 0 | 111.2 | R412 S417 R418 | R412-D414 WeakPolarHBondContact CB-OD1 3.35Å; R412-D414 IonicContact CZ-OD1 3.11Å; R412-D414 IonicContact CZ-OD2 3.19Å; R412-D414 IonicContact NE-OD1 2.67Å; R412-D414 IonicContact NH1-OD1 3.48Å; R412-D414 PolarHBondContact NH1-OD1 2.96Å; R412-D414 IonicContact NH1-OD2 2.78Å; R412-D414 PolarHBondContact NH1-OD2 2.97Å; R412-D414 IonicContact NH2-OD1 3.14Å; R412-D414 PolarHBondContact NH2-OD1 3.13Å; R412-D414 IonicContact NH2-OD2 2.76Å; R412-D414 PolarHBondContact NH2-OD2 3.07Å; D414-S417 PolarHBondContact O-N 3.45Å; D414-R418 VanDerWaalsContact O-CB 3.25Å; D414-R418 WeakPolarHBondContact O-CB 3.46Å; D414-R418 PolarHBondContact O-N 3.12Å |
| 415 | E | 84.6 | Confident | 84 | Confident | 44 Ų | 44 | 75.7 Ų | 75.7 | 21% | 0.206 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.1 | -46.8 | 175.6 | -163.1 | 62.6 | -120.8 | 0 | 0 | 111.9 | F410 R412 S413 S417 R418 H419 | F410-E415 HydrophobicContact CB-CB 4.18Å; F410-E415 HydrophobicContact CB-CG 4.3Å; F410-E415 HydrophobicContact CD1-CB 4.2Å; F410-E415 HydrophobicContact CD1-CG 3.46Å; F410-E415 VanDerWaalsContact CD1-CG 3.46Å; F410-E415 HydrophobicContact CE1-CG 4.13Å; F410-E415 HydrophobicContact CG-CB 4.38Å; F410-E415 HydrophobicContact CG-CG 4.12Å; R412-E415 HydrophobicContact CB-CB 4.3Å; R412-E415 IonicContact NH2-OE2 3.12Å; R412-E415 PolarHBondContact NH2-OE2 3.01Å; R412-E415 WeakPolarHBondContact O-CB 3.5Å; R412-E415 PolarHBondContact O-N 2.83Å; S413-E415 VanDerWaalsContact C-N 3.28Å; E415-S417 VanDerWaalsContact C-N 3.32Å; E415-S417 PolarHBondContact O-N 3.15Å; E415-R418 PolarHBondContact O-N 2.92Å; E415-R418 IonicContact OE1-CZ 3.1Å; E415-R418 IonicContact OE1-NE 3.74Å; E415-R418 PolarHBondContact OE1-NE 3.42Å; E415-R418 IonicContact OE1-NH2 2.92Å; E415-R418 PolarHBondContact OE1-NH2 2.89Å; E415-R418 IonicContact OE2-CZ 3.3Å; E415-R418 IonicContact OE2-NE 2.97Å; E415-R418 IonicContact OE2-NH2 3.77Å; E415-R418 PolarHBondContact OE2-NH2 2.82Å; E415-H419 WeakPolarHBondContact O-CB 3.25Å; E415-H419 PolarHBondContact O-N 2.93Å |
| 416 | L | 87.9 | Confident | 83.8 | Confident | 31 Ų | 31 | 75.2 Ų | 75.2 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 171.7 | 171.2 | 60.1 | 0 | 0 | 0 | 111.2 | F399 S400 C401 F410 R412 S413 R418 H419 R420 | F399-L416 HydrophobicContact CB-CB 4.02Å; F399-L416 HydrophobicContact CB-CD2 3.81Å; S400-L416 WeakPolarHBondContact O-CD2 3.32Å; C401-L416 HydrophobicContact CB-CD1 4.03Å; F410-L416 HydrophobicContact CD2-CB 4.01Å; F410-L416 HydrophobicContact CD2-CD1 4.08Å; F410-L416 HydrophobicContact CE2-CD1 4.21Å; F410-L416 HydrophobicContact CG-CB 4.5Å; R412-L416 PolarHBondContact O-N 2.98Å; S413-L416 PolarHBondContact O-N 3.43Å; L416-R418 VanDerWaalsContact C-N 3.3Å; L416-R418 PolarHBondContact O-N 3.32Å; L416-H419 PolarHBondContact O-N 3.24Å; L416-R420 PolarHBondContact O-N 3.32Å |
| 417 | S | 85.3 | Confident | 83.5 | Confident | 53 Ų | 53 | 80.1 Ų | 80.1 | 37% | 0.371 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.3 | -35.1 | 179.6 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | S413 D414 E415 | S413-S417 WeakPolarHBondContact O-CB 3.34Å; S413-S417 PolarHBondContact O-N 3.16Å; S413-S417 PolarHBondContact O-OG 2.95Å; D414-S417 PolarHBondContact O-N 3.45Å; E415-S417 VanDerWaalsContact C-N 3.32Å; E415-S417 PolarHBondContact O-N 3.15Å |
| 418 | R | 83.3 | Confident | 83.3 | Confident | 83 Ų | 83 | 75.5 Ų | 75.5 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -69.9 | -42.9 | 172.8 | -177.8 | 168.3 | 78.6 | 176.7 | 6.3 | 111.5 | D414 E415 L416 R421 R440 | D414-R418 VanDerWaalsContact O-CB 3.25Å; D414-R418 WeakPolarHBondContact O-CB 3.46Å; D414-R418 PolarHBondContact O-N 3.12Å; E415-R418 PolarHBondContact O-N 2.92Å; E415-R418 IonicContact OE1-CZ 3.1Å; E415-R418 IonicContact OE1-NE 3.74Å; E415-R418 PolarHBondContact OE1-NE 3.42Å; E415-R418 IonicContact OE1-NH2 2.92Å; E415-R418 PolarHBondContact OE1-NH2 2.89Å; E415-R418 IonicContact OE2-CZ 3.3Å; E415-R418 IonicContact OE2-NE 2.97Å; E415-R418 IonicContact OE2-NH2 3.77Å; E415-R418 PolarHBondContact OE2-NH2 2.82Å; L416-R418 VanDerWaalsContact C-N 3.3Å; L416-R418 PolarHBondContact O-N 3.32Å; R418-R421 PolarHBondContact O-N 2.89Å; R418-R440 HydrophobicContact CG-CG 4.3Å |
| 419 | H | 86.9 | Confident | 83.2 | Confident | 14 Ų | 14 | 69.6 Ų | 69.6 | 7% | 0.065 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65 | -38.1 | 175.8 | 173.2 | 39.9 | 0 | 0 | 0 | 112.4 | C406 F410 E415 L416 R421 T422 H423 | C406-H419 PolarHBondContact SG-NE2 3.1Å; C406-H419 VanDerWaalsContact SG-NE2 3.43Å; F410-H419 HydrophobicContact CE1-CB 4.28Å; F410-H419 HydrophobicContact CE2-CB 4.06Å; F410-H419 AromaticContact CE2-CD2 3.28Å; F410-H419 WeakPolarHBondContact CE2-CD2 3.5Å; F410-H419 AromaticContact CE2-CG 3.9Å; F410-H419 HydrophobicContact CZ-CB 3.68Å; F410-H419 AromaticContact CZ-CD2 3.27Å; F410-H419 WeakPolarHBondContact CZ-CD2 3.33Å; F410-H419 AromaticContact CZ-CG 3.5Å; E415-H419 WeakPolarHBondContact O-CB 3.25Å; E415-H419 PolarHBondContact O-N 2.93Å; L416-H419 PolarHBondContact O-N 3.24Å; H419-R421 PolarHBondContact O-N 3.31Å; H419-R421 VanDerWaalsContact O-N 3.09Å; H419-T422 PolarHBondContact CE1-OG1 3.15Å; H419-T422 PolarHBondContact ND1-OG1 3.36Å; H419-T422 WeakPolarHBondContact O-CA 3.41Å; H419-T422 WeakPolarHBondContact O-CB 3.45Å; H419-T422 PolarHBondContact O-N 2.62Å; H419-T422 PolarHBondContact O-OG1 2.79Å; H419-H423 AromaticContact CE1-CE1 3.81Å; H419-H423 AromaticContact CE1-NE2 3.24Å; H419-H423 PolarHBondContact CE1-NE2 2.82Å; H419-H423 AromaticContact NE2-NE2 3.27Å; H419-H423 PolarHBondContact NE2-NE2 3.39Å |
| 420 | R | 84.3 | Confident | 82.9 | Confident | 144 Ų | 144 | 65 Ų | 65 | 54% | 0.543 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.1 | -33 | 179.3 | -167.8 | 169.1 | 69 | -156.5 | 3.6 | 112.8 | L416 T422 H423 | L416-R420 PolarHBondContact O-N 3.32Å; R420-T422 PolarHBondContact O-N 2.74Å; R420-H423 PolarHBondContact O-N 2.76Å; R420-H423 VanDerWaalsContact O-N 3.14Å |
| 421 | R | 83.6 | Confident | 82.9 | Confident | 106 Ų | 106 | 63.8 Ų | 63.8 | 40% | 0.4 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.4 | -24.3 | 174.1 | -56.7 | 178.3 | -172.3 | -174.5 | -0.7 | 113.4 | R418 H419 H423 T424 G425 M439 | R418-R421 PolarHBondContact O-N 2.89Å; H419-R421 PolarHBondContact O-N 3.31Å; H419-R421 VanDerWaalsContact O-N 3.09Å; R421-H423 PolarHBondContact O-N 3.44Å; R421-T424 PolarHBondContact O-N 3.31Å; R421-T424 PolarHBondContact O-OG1 3.47Å; R421-G425 PolarHBondContact O-N 3.33Å; R421-M439 HydrophobicContact CB-CG 3.89Å; R421-M439 HydrophobicContact CB-SD 3.94Å; R421-M439 WeakPolarHBondContact O-CE 3.29Å; R421-M439 VanDerWaalsContact O-SD 3.34Å |
| 422 | T | 82.5 | Confident | 82.8 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.5 | -19.5 | 176 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | H419 R420 M439 | H419-T422 PolarHBondContact CE1-OG1 3.15Å; H419-T422 PolarHBondContact ND1-OG1 3.36Å; H419-T422 WeakPolarHBondContact O-CA 3.41Å; H419-T422 WeakPolarHBondContact O-CB 3.45Å; H419-T422 PolarHBondContact O-N 2.62Å; H419-T422 PolarHBondContact O-OG1 2.79Å; R420-T422 PolarHBondContact O-N 2.74Å; T422-M439 VanDerWaalsContact CA-SD 3.6Å; T422-M439 HydrophobicContact CG2-SD 3.73Å |
| 423 | H | 81.9 | Confident | 82.7 | Confident | 50 Ų | 50 | 66.4 Ų | 66.4 | 23% | 0.231 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -84.8 | -35.9 | 174.8 | -63.6 | -63.1 | 0 | 0 | 0 | 112.9 | C401 W403 C406 H419 R420 R421 | C401-H423 PolarHBondContact SG-NE2 2.93Å; W403-H423 AromaticContact CD1-CE1 3.78Å; W403-H423 AromaticContact CD1-CG 3.92Å; W403-H423 AromaticContact CD1-ND1 3.52Å; W403-H423 HydrophobicContact CD2-CB 3.52Å; W403-H423 AromaticContact CD2-CG 3.61Å; W403-H423 AromaticContact CD2-ND1 4Å; W403-H423 AromaticContact CE2-CG 4Å; W403-H423 HydrophobicContact CE3-CB 3.61Å; W403-H423 HydrophobicContact CG-CB 4.07Å; W403-H423 AromaticContact CG-CD2 3.77Å; W403-H423 AromaticContact CG-CE1 3.86Å; W403-H423 AromaticContact CG-CG 3.57Å; W403-H423 AromaticContact CG-ND1 3.64Å; W403-H423 AromaticContact CG-NE2 3.97Å; W403-H423 HydrophobicContact CH2-CB 4.08Å; W403-H423 HydrophobicContact CZ2-CB 4.01Å; W403-H423 HydrophobicContact CZ3-CB 3.89Å; W403-H423 AromaticContact NE1-ND1 3.8Å; C406-H423 VanDerWaalsContact SG-CE1 3.57Å; H419-H423 AromaticContact CE1-CE1 3.81Å; H419-H423 AromaticContact CE1-NE2 3.24Å; H419-H423 PolarHBondContact CE1-NE2 2.82Å; H419-H423 AromaticContact NE2-NE2 3.27Å; H419-H423 PolarHBondContact NE2-NE2 3.39Å; R420-H423 PolarHBondContact O-N 2.76Å; R420-H423 VanDerWaalsContact O-N 3.14Å; R421-H423 PolarHBondContact O-N 3.44Å |
| 424 | T | 80.7 | Confident | 82.7 | Confident | 68 Ų | 68 | 65.1 Ų | 65.1 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -83.7 | -13.6 | 178.2 | 58.5 | 0 | 0 | 0 | 0 | 113.6 | R421 E426 | R421-T424 PolarHBondContact O-N 3.31Å; R421-T424 PolarHBondContact O-OG1 3.47Å; T424-E426 WeakPolarHBondContact CB-OE1 3.38Å; T424-E426 PolarHBondContact O-N 3.35Å; T424-E426 PolarHBondContact OG1-OE1 3.45Å |
| 425 | G | 79.6 | Confident | 82.6 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 40% | 0.402 | 36% | 0.359 | S | S | . | . | trans | 72.8 | 3.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | R421 K427 | R421-G425 PolarHBondContact O-N 3.33Å; G425-K427 PolarHBondContact O-N 2.91Å | ||
| 426 | E | 77.1 | Confident | 82.5 | Confident | 77 Ų | 77 | 75.1 Ų | 75.1 | 36% | 0.36 | 38% | 0.38 | S | S | . | . | trans | -61.3 | 97.3 | -170.8 | -71 | 168.1 | -98 | 0 | 0 | 113.9 | T424 K428 | T424-E426 WeakPolarHBondContact CB-OE1 3.38Å; T424-E426 PolarHBondContact O-N 3.35Å; T424-E426 PolarHBondContact OG1-OE1 3.45Å; E426-K428 HydrophobicContact CB-CG 4.35Å; E426-K428 PolarHBondContact O-N 3.39Å; E426-K428 WeakPolarHBondContact OE2-CE 3.18Å; E426-K428 IonicContact OE2-NZ 2.89Å; E426-K428 PolarHBondContact OE2-NZ 2.8Å | ||
| 427 | K | 79.9 | Confident | 82.4 | Confident | 122 Ų | 122 | 80.9 Ų | 80.9 | 53% | 0.53 | 40% | 0.399 | S | S | . | . | trans | -87.2 | 76.9 | 175 | -67.1 | 166.2 | -178.2 | 173.9 | 0 | 111.3 | G425 R437 F438 | G425-K427 PolarHBondContact O-N 2.91Å; K427-R437 HydrophobicContact CB-CB 3.69Å; K427-R437 HydrophobicContact CD-CB 4.4Å; K427-R437 WeakPolarHBondContact CD-O 3.34Å; K427-R437 PolarHBondContact O-NE 3.11Å; K427-R437 PolarHBondContact O-NH2 2.67Å; K427-F438 CarbonylContact C-O 3.57Å; K427-F438 VanDerWaalsContact C-O 3.26Å; K427-F438 VanDerWaalsContact CA-O 3.3Å; K427-F438 WeakPolarHBondContact CA-O 3.49Å | ||
| 428 | K | 81.3 | Confident | 82.4 | Confident | 89 Ų | 89 | 80.4 Ų | 80.4 | 39% | 0.387 | 39% | 0.39 | S | S | . | . | trans | -74 | -24.4 | -176.3 | -58.5 | -162 | 179.9 | -174.4 | 0 | 114.9 | E426 F438 | E426-K428 HydrophobicContact CB-CG 4.35Å; E426-K428 PolarHBondContact O-N 3.39Å; E426-K428 WeakPolarHBondContact OE2-CE 3.18Å; E426-K428 IonicContact OE2-NZ 2.89Å; E426-K428 PolarHBondContact OE2-NZ 2.8Å; K428-F438 PolarHBondContact N-O 3.31Å | ||
| 429 | F | 82.5 | Confident | 82.4 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 15% | 0.145 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 97 | -173.2 | -58 | -82.4 | 0 | 0 | 0 | 111 | R437 F438 L444 | F429-R437 CarbonylContact O-C 3.5Å; F429-R437 WeakPolarHBondContact O-CA 3.41Å; F429-F438 HydrophobicContact CB-CB 4.3Å; F429-F438 PolarHBondContact N-O 3.26Å; F429-F438 PolarHBondContact O-N 3.4Å; F429-L444 HydrophobicContact CB-CB 4.23Å; F429-L444 HydrophobicContact CB-CD2 3.93Å |
| 430 | A | 82.9 | Confident | 82.2 | Confident | 53 Ų | 53 | 80.3 Ų | 80.3 | 44% | 0.438 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 151.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R437 L444 | A430-R437 HydrophobicContact CB-CG 4.14Å; A430-L444 VanDerWaalsContact O-CD2 3.23Å; A430-L444 WeakPolarHBondContact O-CD2 3.46Å |
| 431 | C | 85.1 | Confident | 82.3 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 133.8 | 167.9 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | M433 C434 R436 F438 L444 | C431-M433 PolarHBondContact O-N 3.24Å; C431-C434 WeakPolarHBondContact CB-O 3.38Å; C431-R436 PolarHBondContact N-O 2.93Å; C431-R436 VanDerWaalsContact N-O 3.15Å; C431-F438 HydrophobicContact CB-CE2 4.44Å; C431-L444 HydrophobicContact CB-CD1 3.69Å |
| 432 | P | 80.9 | Confident | 82.3 | Confident | 78 Ų | 78 | 72.8 Ų | 72.8 | 51% | 0.506 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -14.8 | 177.1 | 29.5 | -35.3 | 0 | 0 | 0 | 113.1 | L467 | P432-L467 HydrophobicContact CG-CD1 4.33Š|
| 433 | M | 79.6 | Confident | 82.6 | Confident | 85 Ų | 85 | 72.8 Ų | 72.8 | 42% | 0.419 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -5.9 | -176.9 | -68.4 | 173.1 | -77.7 | 0 | 0 | 114.2 | C431 A448 H451 L452 | C431-M433 PolarHBondContact O-N 3.24Å; M433-A448 HydrophobicContact CE-CB 4.12Å; M433-H451 HydrophobicContact CB-CB 4.47Å; M433-H451 HydrophobicContact CE-CB 3.7Å; M433-H451 HydrophobicContact SD-CB 3.52Å; M433-H451 VanDerWaalsContact SD-CB 3.52Å; M433-L452 HydrophobicContact CE-CD1 3.88Å; M433-L452 HydrophobicContact SD-CD1 4.19Å |
| 434 | C | 84.6 | Confident | 82.9 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 163.1 | 169.1 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | C431 R436 H447 H451 | C431-C434 WeakPolarHBondContact CB-O 3.38Å; C434-R436 PolarHBondContact O-N 3.32Å; C434-H447 PolarHBondContact SG-NE2 2.76Å; C434-H451 PolarHBondContact SG-NE2 2.78Å; C434-H451 VanDerWaalsContact SG-NE2 3.39Å |
| 435 | D | 81.1 | Confident | 83.2 | Confident | 160 Ų | 160 | 69 Ų | 69 | 86% | 0.856 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 10.1 | -172 | -46.9 | -79.4 | 0 | 0 | 0 | 115.7 | R437 | D435-R437 PolarHBondContact O-N 3.45Å |
| 436 | R | 82.2 | Confident | 83.6 | Confident | 170 Ų | 170 | 72.6 Ų | 72.6 | 64% | 0.642 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 111.6 | 177.7 | -68.9 | -171 | 178.4 | -133.5 | -0.4 | 110.6 | C431 C434 F438 | C431-R436 PolarHBondContact N-O 2.93Å; C431-R436 VanDerWaalsContact N-O 3.15Å; C434-R436 PolarHBondContact O-N 3.32Å; R436-F438 HydrophobicContact CB-CE2 3.83Å; R436-F438 HydrophobicContact CB-CZ 3.93Å; R436-F438 WeakPolarHBondContact O-CD2 3.4Å; R436-F438 WeakPolarHBondContact O-CE2 3.41Å |
| 437 | R | 86.3 | Confident | 84.1 | Confident | 152 Ų | 152 | 70.1 Ų | 70.1 | 57% | 0.574 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 138.7 | 175.9 | -58.4 | 175.7 | 60.8 | 159.9 | 2.7 | 112.1 | K427 F429 A430 D435 | K427-R437 HydrophobicContact CB-CB 3.69Å; K427-R437 HydrophobicContact CD-CB 4.4Å; K427-R437 WeakPolarHBondContact CD-O 3.34Å; K427-R437 PolarHBondContact O-NE 3.11Å; K427-R437 PolarHBondContact O-NH2 2.67Å; F429-R437 CarbonylContact O-C 3.5Å; F429-R437 WeakPolarHBondContact O-CA 3.41Å; A430-R437 HydrophobicContact CB-CG 4.14Å; D435-R437 PolarHBondContact O-N 3.45Å |
| 438 | F | 83.9 | Confident | 84.3 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 18% | 0.184 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 154.1 | -175.5 | -59.5 | -88.4 | 0 | 0 | 0 | 111.9 | K427 K428 F429 C431 R436 H443 L444 H447 | K427-F438 CarbonylContact C-O 3.57Å; K427-F438 VanDerWaalsContact C-O 3.26Å; K427-F438 VanDerWaalsContact CA-O 3.3Å; K427-F438 WeakPolarHBondContact CA-O 3.49Å; K428-F438 PolarHBondContact N-O 3.31Å; F429-F438 HydrophobicContact CB-CB 4.3Å; F429-F438 PolarHBondContact N-O 3.26Å; F429-F438 PolarHBondContact O-N 3.4Å; C431-F438 HydrophobicContact CB-CE2 4.44Å; R436-F438 HydrophobicContact CB-CE2 3.83Å; R436-F438 HydrophobicContact CB-CZ 3.93Å; R436-F438 WeakPolarHBondContact O-CD2 3.4Å; R436-F438 WeakPolarHBondContact O-CE2 3.41Å; F438-H443 HydrophobicContact CB-CB 4.35Å; F438-H443 HydrophobicContact CD1-CB 3.85Å; F438-H443 HydrophobicContact CG-CB 4.36Å; F438-L444 HydrophobicContact CB-CB 4.39Å; F438-L444 HydrophobicContact CD2-CB 4.01Å; F438-L444 HydrophobicContact CD2-CD1 4.11Å; F438-L444 HydrophobicContact CE2-CD1 4.29Å; F438-L444 HydrophobicContact CG-CB 4.34Å; F438-H447 HydrophobicContact CE1-CB 4.11Å; F438-H447 HydrophobicContact CE2-CB 3.93Å; F438-H447 AromaticContact CE2-CD2 3.38Å; F438-H447 WeakPolarHBondContact CE2-CD2 3.47Å; F438-H447 AromaticContact CE2-CG 3.78Å; F438-H447 HydrophobicContact CZ-CB 3.5Å; F438-H447 AromaticContact CZ-CD2 3.41Å; F438-H447 VanDerWaalsContact CZ-CD2 3.41Å; F438-H447 WeakPolarHBondContact CZ-CD2 3.49Å; F438-H447 AromaticContact CZ-CG 3.36Å |
| 439 | M | 84.6 | Confident | 84.5 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -87.3 | -12.4 | 178.3 | -172.3 | 177 | -74.6 | 0 | 0 | 113.4 | R421 T422 | R421-M439 HydrophobicContact CB-CG 3.89Å; R421-M439 HydrophobicContact CB-SD 3.94Å; R421-M439 WeakPolarHBondContact O-CE 3.29Å; R421-M439 VanDerWaalsContact O-SD 3.34Å; T422-M439 VanDerWaalsContact CA-SD 3.6Å; T422-M439 HydrophobicContact CG2-SD 3.73Å |
| 440 | R | 82.3 | Confident | 84.5 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 22% | 0.219 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -141.1 | 137.7 | -174.7 | -70.2 | 162.9 | 51.4 | 167.9 | -6.6 | 110 | R418 D442 H443 L444 | R418-R440 HydrophobicContact CG-CG 4.3Å; R440-D442 IonicContact CZ-OD1 2.93Å; R440-D442 IonicContact NE-OD1 2.68Å; R440-D442 PolarHBondContact NE-OD1 3.18Å; R440-D442 VanDerWaalsContact NH2-CG 3.28Å; R440-D442 IonicContact NH2-OD1 3.86Å; R440-D442 PolarHBondContact NH2-OD1 3.01Å; R440-D442 IonicContact NH2-OD2 2.73Å; R440-D442 PolarHBondContact NH2-OD2 2.88Å; R440-D442 VanDerWaalsContact NH2-OD2 3.11Å; R440-D442 PolarHBondContact O-N 3.32Å; R440-H443 HydrophobicContact CB-CB 4.43Å; R440-H443 WeakPolarHBondContact CD-NE2 3.35Å; R440-H443 VanDerWaalsContact CZ-CE1 3.41Å; R440-H443 VanDerWaalsContact CZ-NE2 3.34Å; R440-H443 PolarHBondContact NE-NE2 2.68Å; R440-H443 PolarHBondContact NH2-CE1 2.93Å; R440-H443 PolarHBondContact O-N 3.43Å; R440-L444 PolarHBondContact O-N 3.01Å |
| 441 | S | 85.3 | Confident | 84.3 | Confident | 46 Ų | 46 | 73.2 Ų | 73.2 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.2 | -43.2 | 174.4 | 50.4 | 0 | 0 | 0 | 0 | 112.1 | H443 L444 T445 | S441-H443 PolarHBondContact O-N 2.75Å; S441-H443 VanDerWaalsContact O-N 3.13Å; S441-L444 CarbonylContact O-C 3.54Å; S441-L444 WeakPolarHBondContact O-CA 3.4Å; S441-L444 WeakPolarHBondContact O-CB 3.35Å; S441-L444 PolarHBondContact O-N 3.02Å; S441-T445 PolarHBondContact O-N 3.02Å; S441-T445 PolarHBondContact O-OG1 2.95Å |
| 442 | D | 84.9 | Confident | 83.5 | Confident | 46 Ų | 46 | 74.4 Ų | 74.4 | 25% | 0.246 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.5 | -26.2 | -179.5 | 86 | -77.5 | 0 | 0 | 0 | 113.9 | R440 K446 | R440-D442 IonicContact CZ-OD1 2.93Å; R440-D442 IonicContact NE-OD1 2.68Å; R440-D442 PolarHBondContact NE-OD1 3.18Å; R440-D442 VanDerWaalsContact NH2-CG 3.28Å; R440-D442 IonicContact NH2-OD1 3.86Å; R440-D442 PolarHBondContact NH2-OD1 3.01Å; R440-D442 IonicContact NH2-OD2 2.73Å; R440-D442 PolarHBondContact NH2-OD2 2.88Å; R440-D442 VanDerWaalsContact NH2-OD2 3.11Å; R440-D442 PolarHBondContact O-N 3.32Å; D442-K446 WeakPolarHBondContact O-CB 3.43Å; D442-K446 VanDerWaalsContact O-CD 3.31Å; D442-K446 WeakPolarHBondContact O-CD 3.3Å; D442-K446 WeakPolarHBondContact O-CG 2.78Å; D442-K446 PolarHBondContact O-N 3.44Å; D442-K446 VanDerWaalsContact O-N 3.16Å; D442-K446 IonicContact OD2-NZ 2.77Å; D442-K446 PolarHBondContact OD2-NZ 3.44Å |
| 443 | H | 87.5 | Confident | 82.8 | Confident | 74 Ų | 74 | 75.5 Ų | 75.5 | 34% | 0.343 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75.6 | -41.1 | 171.9 | -65.8 | -20.2 | 0 | 0 | 0 | 111.3 | F438 R440 S441 K446 H447 | F438-H443 HydrophobicContact CB-CB 4.35Å; F438-H443 HydrophobicContact CD1-CB 3.85Å; F438-H443 HydrophobicContact CG-CB 4.36Å; R440-H443 HydrophobicContact CB-CB 4.43Å; R440-H443 WeakPolarHBondContact CD-NE2 3.35Å; R440-H443 VanDerWaalsContact CZ-CE1 3.41Å; R440-H443 VanDerWaalsContact CZ-NE2 3.34Å; R440-H443 PolarHBondContact NE-NE2 2.68Å; R440-H443 PolarHBondContact NH2-CE1 2.93Å; R440-H443 PolarHBondContact O-N 3.43Å; S441-H443 PolarHBondContact O-N 2.75Å; S441-H443 VanDerWaalsContact O-N 3.13Å; H443-K446 PolarHBondContact O-N 3.42Å; H443-H447 WeakPolarHBondContact O-CB 3.43Å; H443-H447 PolarHBondContact O-N 3.39Å |
| 444 | L | 89 | Confident | 82 | Confident | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.7 | -49.4 | 169.9 | 171.3 | 59.6 | 0 | 0 | 0 | 111.3 | F429 A430 C431 F438 R440 S441 K446 H447 A448 L467 | F429-L444 HydrophobicContact CB-CB 4.23Å; F429-L444 HydrophobicContact CB-CD2 3.93Å; A430-L444 VanDerWaalsContact O-CD2 3.23Å; A430-L444 WeakPolarHBondContact O-CD2 3.46Å; C431-L444 HydrophobicContact CB-CD1 3.69Å; F438-L444 HydrophobicContact CB-CB 4.39Å; F438-L444 HydrophobicContact CD2-CB 4.01Å; F438-L444 HydrophobicContact CD2-CD1 4.11Å; F438-L444 HydrophobicContact CE2-CD1 4.29Å; F438-L444 HydrophobicContact CG-CB 4.34Å; R440-L444 PolarHBondContact O-N 3.01Å; S441-L444 CarbonylContact O-C 3.54Å; S441-L444 WeakPolarHBondContact O-CA 3.4Å; S441-L444 WeakPolarHBondContact O-CB 3.35Å; S441-L444 PolarHBondContact O-N 3.02Å; L444-K446 VanDerWaalsContact C-N 3.27Å; L444-K446 PolarHBondContact O-N 3.19Å; L444-H447 CarbonylContact O-C 3.41Å; L444-H447 WeakPolarHBondContact O-CA 3.38Å; L444-H447 PolarHBondContact O-N 3.2Å; L444-A448 WeakPolarHBondContact O-CB 3.16Å; L444-A448 PolarHBondContact O-N 3.18Å; L444-L467 HydrophobicContact CD2-CD1 4.43Å; L444-L467 HydrophobicContact CD2-CD2 4.37Å |
| 445 | T | 86.9 | Confident | 80.8 | Confident | 35 Ų | 35 | 80.8 Ų | 80.8 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.6 | -28.6 | -179.8 | -38.8 | 0 | 0 | 0 | 0 | 112.9 | S441 R449 V464 | S441-T445 PolarHBondContact O-N 3.02Å; S441-T445 PolarHBondContact O-OG1 2.95Å; T445-R449 WeakPolarHBondContact O-CG 3.5Å; T445-R449 PolarHBondContact O-N 2.84Å; T445-R449 PolarHBondContact O-NE 3.21Å; T445-V464 HydrophobicContact CG2-CG1 4.29Å |
| 446 | K | 87.3 | Confident | 79.2 | Confident | 114 Ų | 114 | 83.4 Ų | 83.4 | 50% | 0.496 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -74.2 | -36.2 | 170.6 | -75.4 | 166.2 | -175.2 | 159.6 | 0 | 111.9 | D442 H443 L444 | D442-K446 WeakPolarHBondContact O-CB 3.43Å; D442-K446 VanDerWaalsContact O-CD 3.31Å; D442-K446 WeakPolarHBondContact O-CD 3.3Å; D442-K446 WeakPolarHBondContact O-CG 2.78Å; D442-K446 PolarHBondContact O-N 3.44Å; D442-K446 VanDerWaalsContact O-N 3.16Å; D442-K446 IonicContact OD2-NZ 2.77Å; D442-K446 PolarHBondContact OD2-NZ 3.44Å; H443-K446 PolarHBondContact O-N 3.42Å; L444-K446 VanDerWaalsContact C-N 3.27Å; L444-K446 PolarHBondContact O-N 3.19Å |
| 447 | H | 87.4 | Confident | 77.7 | Confident | 25 Ų | 25 | 80.6 Ų | 80.6 | 12% | 0.116 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -72.6 | -46.9 | 176.6 | 176.9 | 57.6 | 0 | 0 | 0 | 112.8 | C434 F438 H443 L444 R449 R450 H451 | C434-H447 PolarHBondContact SG-NE2 2.76Å; F438-H447 HydrophobicContact CE1-CB 4.11Å; F438-H447 HydrophobicContact CE2-CB 3.93Å; F438-H447 AromaticContact CE2-CD2 3.38Å; F438-H447 WeakPolarHBondContact CE2-CD2 3.47Å; F438-H447 AromaticContact CE2-CG 3.78Å; F438-H447 HydrophobicContact CZ-CB 3.5Å; F438-H447 AromaticContact CZ-CD2 3.41Å; F438-H447 VanDerWaalsContact CZ-CD2 3.41Å; F438-H447 WeakPolarHBondContact CZ-CD2 3.49Å; F438-H447 AromaticContact CZ-CG 3.36Å; H443-H447 WeakPolarHBondContact O-CB 3.43Å; H443-H447 PolarHBondContact O-N 3.39Å; L444-H447 CarbonylContact O-C 3.41Å; L444-H447 WeakPolarHBondContact O-CA 3.38Å; L444-H447 PolarHBondContact O-N 3.2Å; H447-R449 VanDerWaalsContact C-N 3.27Å; H447-R449 PolarHBondContact O-N 3.09Å; H447-R450 WeakPolarHBondContact O-CB 3.47Å; H447-R450 PolarHBondContact O-N 2.86Å; H447-H451 AromaticContact CD2-NE2 3.84Å; H447-H451 AromaticContact CE1-CD2 3.97Å; H447-H451 AromaticContact CE1-NE2 3.32Å; H447-H451 PolarHBondContact CE1-NE2 3.32Å; H447-H451 VanDerWaalsContact CE1-NE2 3.32Å; H447-H451 AromaticContact NE2-CD2 3.73Å; H447-H451 AromaticContact NE2-NE2 3.02Å; H447-H451 PolarHBondContact NE2-NE2 3.16Å |
| 448 | A | 84.9 | Confident | 75.7 | Confident | 4 Ų | 4 | 79.6 Ų | 79.6 | 3% | 0.033 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -54 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | M433 L444 R450 H451 L452 | M433-A448 HydrophobicContact CE-CB 4.12Å; L444-A448 WeakPolarHBondContact O-CB 3.16Å; L444-A448 PolarHBondContact O-N 3.18Å; A448-R450 PolarHBondContact O-N 3.47Å; A448-R450 VanDerWaalsContact O-N 3.12Å; A448-H451 WeakPolarHBondContact O-CB 3.1Å; A448-H451 PolarHBondContact O-N 3.4Å; A448-L452 PolarHBondContact O-N 2.57Å; A448-L452 VanDerWaalsContact O-N 3.15Å |
| 449 | R | 84.8 | Confident | 74 | Confident | 127 Ų | 127 | 82.8 Ų | 82.8 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.2 | -24.2 | 174.4 | -81.6 | -177.5 | -73.7 | 178.9 | -6.6 | 115 | T445 H447 L452 S453 | T445-R449 WeakPolarHBondContact O-CG 3.5Å; T445-R449 PolarHBondContact O-N 2.84Å; T445-R449 PolarHBondContact O-NE 3.21Å; H447-R449 VanDerWaalsContact C-N 3.27Å; H447-R449 PolarHBondContact O-N 3.09Å; R449-L452 HydrophobicContact CG-CD2 4.27Å; R449-S453 PolarHBondContact O-N 3.18Å; R449-S453 VanDerWaalsContact O-N 3.12Å; R449-S453 PolarHBondContact O-OG 3.07Å |
| 450 | R | 82.8 | Confident | 72.5 | Confident | 182 Ų | 182 | 85.2 Ų | 85.2 | 69% | 0.687 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -75.5 | -29.3 | 173 | -67 | 178 | 56.9 | -179.4 | -3 | 113.2 | H447 A448 S453 A454 | H447-R450 WeakPolarHBondContact O-CB 3.47Å; H447-R450 PolarHBondContact O-N 2.86Å; A448-R450 PolarHBondContact O-N 3.47Å; A448-R450 VanDerWaalsContact O-N 3.12Å; R450-S453 WeakPolarHBondContact CA-OG 3.4Å; R450-S453 PolarHBondContact O-OG 3.46Å; R450-A454 PolarHBondContact O-N 3.29Å |
| 451 | H | 78 | Confident | 70.9 | Confident | 49 Ų | 49 | 89.4 Ų | 89.4 | 23% | 0.227 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -71.1 | -40.8 | 171.1 | -67.5 | -75.6 | 0 | 0 | 0 | 110.9 | M433 C434 H447 A448 S453 A454 K455 | M433-H451 HydrophobicContact CB-CB 4.47Å; M433-H451 HydrophobicContact CE-CB 3.7Å; M433-H451 HydrophobicContact SD-CB 3.52Å; M433-H451 VanDerWaalsContact SD-CB 3.52Å; C434-H451 PolarHBondContact SG-NE2 2.78Å; C434-H451 VanDerWaalsContact SG-NE2 3.39Å; H447-H451 AromaticContact CD2-NE2 3.84Å; H447-H451 AromaticContact CE1-CD2 3.97Å; H447-H451 AromaticContact CE1-NE2 3.32Å; H447-H451 PolarHBondContact CE1-NE2 3.32Å; H447-H451 VanDerWaalsContact CE1-NE2 3.32Å; H447-H451 AromaticContact NE2-CD2 3.73Å; H447-H451 AromaticContact NE2-NE2 3.02Å; H447-H451 PolarHBondContact NE2-NE2 3.16Å; A448-H451 WeakPolarHBondContact O-CB 3.1Å; A448-H451 PolarHBondContact O-N 3.4Å; H451-S453 VanDerWaalsContact C-N 3.34Å; H451-S453 PolarHBondContact O-N 2.81Å; H451-A454 CarbonylContact O-C 3.55Å; H451-A454 WeakPolarHBondContact O-CA 3.5Å; H451-A454 PolarHBondContact O-N 3.31Å; H451-K455 PolarHBondContact O-N 3.08Å |
| 452 | L | 69.4 | Low | 68.9 | Low | 34 Ų | 34 | 93 Ų | 93 | 18% | 0.178 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 174.7 | -81.5 | 36.9 | 0 | 0 | 0 | 112.6 | M433 A448 R449 A454 K455 W460 | M433-L452 HydrophobicContact CE-CD1 3.88Å; M433-L452 HydrophobicContact SD-CD1 4.19Å; A448-L452 PolarHBondContact O-N 2.57Å; A448-L452 VanDerWaalsContact O-N 3.15Å; R449-L452 HydrophobicContact CG-CD2 4.27Å; L452-A454 VanDerWaalsContact C-N 3.25Å; L452-A454 PolarHBondContact O-N 3.33Å; L452-K455 CarbonylContact O-C 3.26Å; L452-W460 HydrophobicContact CD1-CB 4.16Å; L452-W460 HydrophobicContact CD1-CG 4.39Å; L452-W460 HydrophobicContact CD2-CB 4Å; L452-W460 HydrophobicContact CD2-CD2 3.39Å; L452-W460 HydrophobicContact CD2-CE3 3.98Å; L452-W460 HydrophobicContact CD2-CG 3.39Å; L452-W460 HydrophobicContact CD2-CZ2 4.3Å; L452-W460 HydrophobicContact CG-CB 4.18Å; L452-W460 HydrophobicContact CG-CD2 4.41Å; L452-W460 HydrophobicContact CG-CG 3.9Å |
| 453 | S | 66.2 | Low | 67.5 | Low | 102 Ų | 102 | 96 Ų | 96 | 71% | 0.713 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -17.4 | 172.3 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | R449 R450 H451 | R449-S453 PolarHBondContact O-N 3.18Å; R449-S453 VanDerWaalsContact O-N 3.12Å; R449-S453 PolarHBondContact O-OG 3.07Å; R450-S453 WeakPolarHBondContact CA-OG 3.4Å; R450-S453 PolarHBondContact O-OG 3.46Å; H451-S453 VanDerWaalsContact C-N 3.34Å; H451-S453 PolarHBondContact O-N 2.81Å |
| 454 | A | 62.1 | Low | 65.8 | Low | 81 Ų | 81 | 93.6 Ų | 93.6 | 67% | 0.669 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -23.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R450 H451 L452 | R450-A454 PolarHBondContact O-N 3.29Å; H451-A454 CarbonylContact O-C 3.55Å; H451-A454 WeakPolarHBondContact O-CA 3.5Å; H451-A454 PolarHBondContact O-N 3.31Å; L452-A454 VanDerWaalsContact C-N 3.25Å; L452-A454 PolarHBondContact O-N 3.33Å |
| 455 | K | 59.5 | Low | 64.2 | Low | 152 Ų | 152 | 96.5 Ų | 96.5 | 66% | 0.661 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -134.6 | 110.7 | 173.8 | -72.8 | -173.6 | 175.1 | -177.4 | 0 | 110 | H451 L452 L457 | H451-K455 PolarHBondContact O-N 3.08Å; L452-K455 CarbonylContact O-C 3.26Å; K455-L457 HydrophobicContact CB-CD1 4.35Å; K455-L457 HydrophobicContact CB-CG 4.47Å; K455-L457 PolarHBondContact O-N 2.81Å |
| 456 | K | 48.5 | Very low | 62.7 | Low | 216 Ų | 216 | 101.2 Ų | 101.2 | 94% | 0.939 | 50% | 0.501 | S | S | * | . | trans | -59.7 | 96.2 | 170.3 | -71.3 | -178.8 | 178.3 | 177.7 | 0 | 109.7 | ||||
| 457 | L | 50.7 | Low | 61.1 | Low | 110 Ų | 110 | 97.1 Ų | 97.1 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | trans | -126.6 | 124.6 | 175.3 | -76.4 | 170.9 | 0 | 0 | 0 | 109.9 | K455 N459 | K455-L457 HydrophobicContact CB-CD1 4.35Å; K455-L457 HydrophobicContact CB-CG 4.47Å; K455-L457 PolarHBondContact O-N 2.81Å; L457-N459 PolarHBondContact O-N 3.38Å | ||
| 458 | P | 43.6 | Very low | 59.2 | Low | 131 Ų | 131 | 100.4 Ų | 100.4 | 85% | 0.851 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.1 | -163.7 | 30.6 | -36.4 | 0 | 0 | 0 | 115.5 | ||
| 459 | N | 48.5 | Very low | 57.5 | Low | 109 Ų | 109 | 106.1 Ų | 106.1 | 58% | 0.583 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | 28.6 | -164.1 | -157.7 | 9.6 | 0 | 0 | 0 | 115.8 | L457 Q461 | L457-N459 PolarHBondContact O-N 3.38Å; N459-Q461 VanDerWaalsContact C-N 3.3Å; N459-Q461 PolarHBondContact O-N 3.24Å |
| 460 | W | 52.8 | Low | 56 | Low | 90 Ų | 90 | 105 Ų | 105 | 34% | 0.341 | 54% | 0.536 | S | S | . | . | trans | -71.1 | -24 | 178.5 | 73.9 | -90.4 | 0 | 0 | 0 | 113.9 | L452 M462 E463 V464 | L452-W460 HydrophobicContact CD1-CB 4.16Å; L452-W460 HydrophobicContact CD1-CG 4.39Å; L452-W460 HydrophobicContact CD2-CB 4Å; L452-W460 HydrophobicContact CD2-CD2 3.39Å; L452-W460 HydrophobicContact CD2-CE3 3.98Å; L452-W460 HydrophobicContact CD2-CG 3.39Å; L452-W460 HydrophobicContact CD2-CZ2 4.3Å; L452-W460 HydrophobicContact CG-CB 4.18Å; L452-W460 HydrophobicContact CG-CD2 4.41Å; L452-W460 HydrophobicContact CG-CG 3.9Å; W460-M462 VanDerWaalsContact C-N 3.29Å; W460-M462 PolarHBondContact O-N 3.27Å; W460-E463 PolarHBondContact O-N 3.45Å; W460-V464 HydrophobicContact CE3-CB 3.82Å; W460-V464 HydrophobicContact CE3-CG2 3.5Å; W460-V464 VanDerWaalsContact CE3-CG2 3.5Å; W460-V464 HydrophobicContact CZ3-CB 3.71Å; W460-V464 HydrophobicContact CZ3-CG1 4Å; W460-V464 HydrophobicContact CZ3-CG2 3.65Å; W460-V464 PolarHBondContact O-N 2.79Å; W460-V464 VanDerWaalsContact O-N 3.1Å | ||
| 461 | Q | 48.4 | Very low | 54 | Low | 145 Ų | 145 | 99.9 Ų | 99.9 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.4 | -24.6 | -166.4 | -167.6 | 166.8 | -19.1 | 0 | 0 | 112.7 | N459 | N459-Q461 VanDerWaalsContact C-N 3.3Å; N459-Q461 PolarHBondContact O-N 3.24Å |
| 462 | M | 44.5 | Very low | 52.4 | Low | 123 Ų | 123 | 103.8 Ų | 103.8 | 61% | 0.606 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -74.6 | -27.2 | 171.3 | -167.2 | -179.5 | -65.8 | 0 | 0 | 112.6 | W460 | W460-M462 VanDerWaalsContact C-N 3.29Å; W460-M462 PolarHBondContact O-N 3.27Å |
| 463 | E | 53.7 | Low | 51.2 | Low | 109 Ų | 109 | 106.3 Ų | 106.3 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -93.1 | -28.3 | -173.4 | -168.1 | 163.5 | -148.3 | 0 | 0 | 113.2 | W460 S465 K466 L467 | W460-E463 PolarHBondContact O-N 3.45Å; E463-S465 PolarHBondContact O-N 3.14Å; E463-K466 WeakPolarHBondContact O-CB 3.31Å; E463-K466 PolarHBondContact O-N 2.98Å; E463-K466 VanDerWaalsContact O-N 3.15Å; E463-L467 PolarHBondContact O-N 2.93Å |
| 464 | V | 52.6 | Low | 49.7 | Very low | 23 Ų | 23 | 107.3 Ų | 107.3 | 14% | 0.139 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -67.8 | -23 | 170.2 | 162.2 | 0 | 0 | 0 | 0 | 112.8 | T445 W460 L467 N468 | T445-V464 HydrophobicContact CG2-CG1 4.29Å; W460-V464 HydrophobicContact CE3-CB 3.82Å; W460-V464 HydrophobicContact CE3-CG2 3.5Å; W460-V464 VanDerWaalsContact CE3-CG2 3.5Å; W460-V464 HydrophobicContact CZ3-CB 3.71Å; W460-V464 HydrophobicContact CZ3-CG1 4Å; W460-V464 HydrophobicContact CZ3-CG2 3.65Å; W460-V464 PolarHBondContact O-N 2.79Å; W460-V464 VanDerWaalsContact O-N 3.1Å; V464-L467 HydrophobicContact CG2-CD1 4Å; V464-L467 PolarHBondContact O-N 3.19Å; V464-N468 PolarHBondContact O-N 2.99Å; V464-N468 PolarHBondContact O-ND2 2.84Å |
| 465 | S | 55.5 | Low | 48.6 | Very low | 66 Ų | 66 | 109.5 Ų | 109.5 | 46% | 0.462 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.7 | -54.5 | 165.6 | -59.4 | 0 | 0 | 0 | 0 | 110.4 | E463 L467 N468 D469 | E463-S465 PolarHBondContact O-N 3.14Å; S465-L467 PolarHBondContact O-N 3.3Å; S465-N468 WeakPolarHBondContact O-CA 3.27Å; S465-N468 WeakPolarHBondContact O-CB 3.28Å; S465-N468 PolarHBondContact O-N 3.32Å; S465-D469 PolarHBondContact O-N 3.42Å |
| 466 | K | 55.7 | Low | 47.6 | Very low | 133 Ų | 133 | 107.8 Ų | 107.8 | 58% | 0.578 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -57.9 | -32.4 | 177.1 | -58.1 | -178.6 | -178.2 | -178.9 | 0 | 113 | E463 N468 D469 I470 | E463-K466 WeakPolarHBondContact O-CB 3.31Å; E463-K466 PolarHBondContact O-N 2.98Å; E463-K466 VanDerWaalsContact O-N 3.15Å; K466-N468 VanDerWaalsContact C-N 3.3Å; K466-N468 PolarHBondContact O-N 3.4Å; K466-D469 WeakPolarHBondContact CA-OD2 3.43Å; K466-D469 PolarHBondContact O-N 3.43Å; K466-I470 WeakPolarHBondContact O-CG1 3.31Å; K466-I470 PolarHBondContact O-N 3.33Å |
| 467 | L | 53.5 | Low | 47.1 | Very low | 28 Ų | 28 | 101.4 Ų | 101.4 | 15% | 0.147 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -69.8 | -19.9 | 173.7 | -72.7 | 172.4 | 0 | 0 | 0 | 114.4 | P432 L444 E463 V464 S465 I470 | P432-L467 HydrophobicContact CG-CD1 4.33Å; L444-L467 HydrophobicContact CD2-CD1 4.43Å; L444-L467 HydrophobicContact CD2-CD2 4.37Å; E463-L467 PolarHBondContact O-N 2.93Å; V464-L467 HydrophobicContact CG2-CD1 4Å; V464-L467 PolarHBondContact O-N 3.19Å; S465-L467 PolarHBondContact O-N 3.3Å; L467-I470 HydrophobicContact CD2-CD1 3.84Å |
| 468 | N | 48.3 | Very low | 46.7 | Very low | 94 Ų | 94 | 102 Ų | 102 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -81.8 | -29 | 169.3 | -65.4 | -54 | 0 | 0 | 0 | 111.8 | V464 S465 K466 I470 | V464-N468 PolarHBondContact O-N 2.99Å; V464-N468 PolarHBondContact O-ND2 2.84Å; S465-N468 WeakPolarHBondContact O-CA 3.27Å; S465-N468 WeakPolarHBondContact O-CB 3.28Å; S465-N468 PolarHBondContact O-N 3.32Å; K466-N468 VanDerWaalsContact C-N 3.3Å; K466-N468 PolarHBondContact O-N 3.4Å; N468-I470 PolarHBondContact O-N 3.31Å |
| 469 | D | 49.4 | Very low | 46.8 | Very low | 125 Ų | 125 | 102.5 Ų | 102.5 | 67% | 0.668 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -73.3 | -8.2 | 177.1 | -55 | -43.6 | 0 | 0 | 0 | 113.1 | S465 K466 A471 | S465-D469 PolarHBondContact O-N 3.42Å; K466-D469 WeakPolarHBondContact CA-OD2 3.43Å; K466-D469 PolarHBondContact O-N 3.43Å; D469-A471 PolarHBondContact O-N 3.11Å |
| 470 | I | 52 | Low | 46.5 | Very low | 104 Ų | 104 | 109.9 Ų | 109.9 | 53% | 0.533 | 62% | 0.615 | S | S | . | * | trans | -73.7 | 66 | 168.2 | -48.7 | -176.2 | 0 | 0 | 0 | 110 | K466 L467 N468 | K466-I470 WeakPolarHBondContact O-CG1 3.31Å; K466-I470 PolarHBondContact O-N 3.33Å; L467-I470 HydrophobicContact CD2-CD1 3.84Å; N468-I470 PolarHBondContact O-N 3.31Å | ||
| 471 | A | 41.3 | Very low | 46.2 | Very low | 73 Ų | 73 | 110.9 Ų | 110.9 | 60% | 0.603 | 63% | 0.629 | S | S | * | * | trans | -105.1 | 97.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D469 | D469-A471 PolarHBondContact O-N 3.11Š| ||
| 472 | L | 44.3 | Very low | 46.1 | Very low | 132 Ų | 132 | 109.1 Ų | 109.1 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | trans | 66.5 | 126.7 | 165.4 | -64.9 | 146 | 0 | 0 | 0 | 116.9 | ||||
| 473 | P | 43.5 | Very low | 46.1 | Very low | 86 Ų | 86 | 108.3 Ų | 108.3 | 56% | 0.558 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 151.5 | 153.1 | 31.3 | -33.9 | 0 | 0 | 0 | 109.1 | T475 | P473-T475 PolarHBondContact O-N 3.1Š|
| 474 | P | 34.5 | Very low | 45.7 | Very low | 123 Ų | 123 | 108.2 Ų | 108.2 | 80% | 0.799 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 137.4 | -178.4 | 24.1 | -34 | 0 | 0 | 0 | 111.2 | ||
| 475 | T | 38.9 | Very low | 45.3 | Very low | 128 Ų | 128 | 113.6 Ų | 113.6 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 129.2 | 170.8 | -35.1 | 0 | 0 | 0 | 0 | 108 | P473 A477 | P473-T475 PolarHBondContact O-N 3.1Å; T475-A477 PolarHBondContact O-N 2.92Å |
| 476 | P | 40 | Very low | 44.6 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 136.3 | 170.3 | 25.6 | -33.3 | 0 | 0 | 0 | 109 | ||
| 477 | A | 36.8 | Very low | 43.8 | Very low | 82 Ų | 82 | 115.6 Ų | 115.6 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -62 | 149.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T475 T479 | T475-A477 PolarHBondContact O-N 2.92Å; A477-T479 PolarHBondContact O-N 3.17Å; A477-T479 VanDerWaalsContact O-N 3.16Å |
| 478 | P | 43.5 | Very low | 43.1 | Very low | 123 Ų | 123 | 122.3 Ų | 122.3 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | trans | -65.4 | 115.5 | 169 | 28.4 | -32.4 | 0 | 0 | 0 | 108.6 | Q480 | P478-Q480 PolarHBondContact O-N 3.1Š| ||
| 479 | T | 44.6 | Very low | 42.6 | Very low | 141 Ų | 141 | 124.7 Ų | 124.7 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | -59.4 | 130.6 | 166.8 | -19.6 | 0 | 0 | 0 | 0 | 108.6 | A477 | A477-T479 PolarHBondContact O-N 3.17Å; A477-T479 VanDerWaalsContact O-N 3.16Å | ||
| 480 | Q | 42.5 | Very low | 42 | Very low | 263 Ų | 263 | 124.6 Ų | 124.6 | 100% | 1.229 | 75% | 0.754 | S | S | * | * | trans | -82.1 | 0 | 163.8 | -68.4 | -172.9 | -14.2 | 0 | 0 | 109.7 | P478 | P478-Q480 PolarHBondContact O-N 3.1Š|
Retrieved 480 of 480 residues in 306 ms
(Link to these results)