| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.3 | Low | 47.8 | Very low | 245 Ų | 245 | 146.2 Ų | 146.2 | 100% | 1.207 | 83% | 0.834 | S | S | * | * | 0 | 151.8 | 0 | -71.5 | 163.7 | 68.5 | 0 | 0 | 108.7 | |||||
| 2 | I | 42.7 | Very low | 47.6 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 84% | 0.841 | 83% | 0.828 | S | S | * | * | trans | -111.5 | 126.2 | -179.5 | -63.8 | 169 | 0 | 0 | 0 | 109 | T4 | I2-T4 HydrophobicContact CG2-CG2 4.03Š| ||
| 3 | A | 49.3 | Very low | 47.4 | Very low | 88 Ų | 88 | 149.6 Ų | 149.6 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | trans | -164.5 | 113.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 4 | T | 51.8 | Low | 47.3 | Very low | 129 Ų | 129 | 154.6 Ų | 154.6 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | 55.8 | 107.5 | 59.9 | 74.3 | 0 | 0 | 0 | 0 | 113 | I2 | I2-T4 HydrophobicContact CG2-CG2 4.03Š| |||
| 5 | G | 49.2 | Very low | 47 | Very low | 78 Ų | 78 | 157.2 Ų | 157.2 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | cis | 176.4 | 164.7 | -6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 6 | G | 52 | Low | 46.6 | Very low | 81 Ų | 81 | 156.3 Ų | 156.3 | 84% | 0.835 | 84% | 0.835 | S | S | * | * | trans | -94 | 134.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 7 | L | 43 | Very low | 46.1 | Very low | 157 Ų | 157 | 154.1 Ų | 154.1 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | trans | -142.8 | 112.4 | 177.8 | -163.1 | 70.3 | 0 | 0 | 0 | 112.8 | ||||
| 8 | L | 48.5 | Very low | 46.1 | Very low | 129 Ų | 129 | 155.1 Ų | 155.1 | 68% | 0.675 | 84% | 0.838 | S | S | * | * | trans | 28.2 | 122.9 | 147.2 | -56.5 | 170.5 | 0 | 0 | 0 | 120.2 | ||||
| 9 | R | 48.4 | Very low | 45.5 | Very low | 236 Ų | 236 | 159.3 Ų | 159.3 | 89% | 0.891 | 84% | 0.841 | S | S | * | * | -167.6 | 99.7 | 106.8 | -98 | 151 | -176.2 | -173.4 | 0.9 | 109.4 | |||||
| 10 | I | 48.3 | Very low | 45.1 | Very low | 134 Ų | 134 | 156.1 Ų | 156.1 | 69% | 0.687 | 83% | 0.832 | S | S | * | * | 75.1 | 116.3 | 90.8 | -70.4 | 166.5 | 0 | 0 | 0 | 112.1 | |||||
| 11 | N | 42.2 | Very low | 44.7 | Very low | 167 Ų | 167 | 158.6 Ų | 158.6 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -63 | 136.9 | 171.3 | -82.2 | -70 | 0 | 0 | 0 | 111.3 | ||||
| 12 | A | 45.8 | Very low | 44.4 | Very low | 92 Ų | 92 | 152.8 Ų | 152.8 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | trans | -128.7 | 100.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 13 | R | 44.4 | Very low | 44.1 | Very low | 245 Ų | 245 | 153.1 Ų | 153.1 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | trans | 52.1 | 120.5 | 152.3 | -57.7 | -175.9 | -178.8 | -145.9 | -3 | 118.9 | ||||
| 14 | R | 45.7 | Very low | 43.4 | Very low | 220 Ų | 220 | 159.3 Ų | 159.3 | 83% | 0.83 | 82% | 0.818 | S | S | * | * | trans | -52.9 | 139.8 | 151.5 | -64.7 | 171.3 | 173.2 | -94.6 | 1.3 | 109.9 | ||||
| 15 | Q | 44.1 | Very low | 42.5 | Very low | 193 Ų | 193 | 157.9 Ų | 157.9 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -140.4 | 98 | 152 | -116.1 | -174.4 | -35.1 | 0 | 0 | 108.6 | S17 | Q15-S17 PolarHBondContact O-N 2.95Š| ||
| 16 | D | 39.5 | Very low | 42 | Very low | 143 Ų | 143 | 162 Ų | 162 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | trans | -74.1 | 115.9 | 167.7 | -70.4 | -76.6 | 0 | 0 | 0 | 108.7 | ||||
| 17 | S | 39.1 | Very low | 41.6 | Very low | 118 Ų | 118 | 163.9 Ų | 163.9 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -153.3 | 121.6 | 162.3 | -167.6 | 0 | 0 | 0 | 0 | 111.3 | Q15 | Q15-S17 PolarHBondContact O-N 2.95Š| ||
| 18 | L | 45.8 | Very low | 41.6 | Very low | 172 Ų | 172 | 165 Ų | 165 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -84.6 | 115.6 | -179 | -65.4 | 163.3 | 0 | 0 | 0 | 110.7 | ||||
| 19 | R | 35.2 | Very low | 41.7 | Very low | 236 Ų | 236 | 168.9 Ų | 168.9 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | trans | -163 | 142.6 | 147.2 | -130.8 | 167.6 | 175.6 | -135.9 | 1.4 | 117.6 | ||||
| 20 | S | 36.8 | Very low | 41.8 | Very low | 95 Ų | 95 | 167 Ų | 167 | 66% | 0.664 | 82% | 0.82 | S | S | * | * | trans | 59.3 | 94.7 | 147.5 | 52.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 21 | K | 37.3 | Very low | 41.8 | Very low | 208 Ų | 208 | 170.4 Ų | 170.4 | 90% | 0.904 | 83% | 0.829 | S | S | * | * | 72.8 | 158.4 | 126.9 | -90.3 | 158 | 174.3 | 170.3 | 0 | 119.4 | |||||
| 22 | P | 43.8 | Very low | 41.9 | Very low | 123 Ų | 123 | 166.7 Ų | 166.7 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | trans | -105.7 | 156.7 | -146.4 | 39.1 | -36.8 | 0 | 0 | 0 | 116 | ||||
| 23 | H | 35.5 | Very low | 42 | Very low | 172 Ų | 172 | 172.3 Ų | 172.3 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | trans | -137.8 | 161.8 | 158.3 | -169 | -101.3 | 0 | 0 | 0 | 112.2 | ||||
| 24 | R | 35.1 | Very low | 41.9 | Very low | 217 Ų | 217 | 167 Ų | 167 | 82% | 0.819 | 81% | 0.814 | S | S | * | * | trans | -73 | 141.1 | -169 | -62.1 | 162 | 160.3 | 175.1 | -5.6 | 114.6 | ||||
| 25 | S | 32.6 | Very low | 41.6 | Very low | 99 Ų | 99 | 164 Ų | 164 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | 173.5 | 161.8 | 122 | 70.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 26 | H | 39.9 | Very low | 41.8 | Very low | 164 Ų | 164 | 163.4 Ų | 163.4 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | cis | -129.7 | 152.9 | -12.6 | -75.4 | -88 | 0 | 0 | 0 | 109.1 | ||||
| 27 | P | 42.4 | Very low | 41.8 | Very low | 122 Ų | 122 | 164.8 Ų | 164.8 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -76.3 | 131.1 | 177.8 | 30.2 | -34.2 | 0 | 0 | 0 | 113.3 | K29 | P27-K29 PolarHBondContact O-N 3.13Š| ||
| 28 | H | 43.1 | Very low | 42.2 | Very low | 180 Ų | 180 | 165.4 Ų | 165.4 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | -64.8 | 131 | 175.7 | -74.9 | -103.6 | 0 | 0 | 0 | 112.3 | K30 | H28-K30 VanDerWaalsContact C-N 3.32Å; H28-K30 PolarHBondContact O-N 3.38Å | ||
| 29 | K | 50.3 | Low | 41.5 | Very low | 210 Ų | 210 | 163.5 Ų | 163.5 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | trans | -70.6 | 77.3 | 174.7 | -71.9 | 180 | 177.3 | 172.7 | 0 | 112.3 | P27 K31 | P27-K29 PolarHBondContact O-N 3.13Å; K29-K31 PolarHBondContact O-N 3.36Å | ||
| 30 | K | 50.3 | Low | 42 | Very low | 198 Ų | 198 | 159.2 Ų | 159.2 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -68 | 94.4 | 163 | -76.8 | -172.4 | 176.1 | -179.5 | 0 | 109.2 | H28 S32 | H28-K30 VanDerWaalsContact C-N 3.32Å; H28-K30 PolarHBondContact O-N 3.38Å; K30-S32 PolarHBondContact O-N 3.06Å | ||
| 31 | K | 49.3 | Very low | 41.9 | Very low | 204 Ų | 204 | 158.4 Ų | 158.4 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -70.3 | 85.3 | 179.6 | -171.7 | 178.8 | -176.8 | -179.3 | 0 | 109.9 | K29 K33 | K29-K31 PolarHBondContact O-N 3.36Å; K31-K33 PolarHBondContact O-N 2.74Å; K31-K33 VanDerWaalsContact O-N 3.1Å | ||
| 32 | S | 43.2 | Very low | 42.3 | Very low | 90 Ų | 90 | 155.1 Ų | 155.1 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | -60.6 | 114.7 | 178.6 | 61.6 | 0 | 0 | 0 | 0 | 110 | K30 N34 | K30-S32 PolarHBondContact O-N 3.06Å; S32-N34 VanDerWaalsContact CB-OD1 3.29Å; S32-N34 WeakPolarHBondContact CB-OD1 3.18Å; S32-N34 PolarHBondContact O-N 2.92Å; S32-N34 PolarHBondContact O-OD1 3.33Å; S32-N34 PolarHBondContact OG-OD1 3.44Å | ||
| 33 | K | 49.6 | Very low | 41.9 | Very low | 209 Ų | 209 | 154.7 Ų | 154.7 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | -77.4 | 75.8 | 177.9 | -167.9 | 174.6 | -176.5 | 178.3 | 0 | 107.9 | K31 K35 | K31-K33 PolarHBondContact O-N 2.74Å; K31-K33 VanDerWaalsContact O-N 3.1Å; K33-K35 PolarHBondContact O-N 2.74Å | ||
| 34 | N | 40.5 | Very low | 42.4 | Very low | 135 Ų | 135 | 155.2 Ų | 155.2 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -57.7 | 101.7 | -171.5 | -76.6 | 20 | 0 | 0 | 0 | 110.8 | S32 R36 | S32-N34 VanDerWaalsContact CB-OD1 3.29Å; S32-N34 WeakPolarHBondContact CB-OD1 3.18Å; S32-N34 PolarHBondContact O-N 2.92Å; S32-N34 PolarHBondContact O-OD1 3.33Å; S32-N34 PolarHBondContact OG-OD1 3.44Å; N34-R36 PolarHBondContact O-N 2.75Å | ||
| 35 | K | 39.8 | Very low | 43 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 68% | 0.683 | 75% | 0.754 | S | S | * | * | trans | -58.9 | 121.8 | 178.3 | -171.7 | 175.1 | -172.2 | 170.2 | 0 | 108.5 | K33 R37 | K33-K35 PolarHBondContact O-N 2.74Å; K35-R37 HydrophobicContact CG-CG 4.47Å; K35-R37 PolarHBondContact O-N 3.02Å | ||
| 36 | R | 49.7 | Very low | 43.7 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | -59.7 | 110.3 | 171.4 | -74.3 | 162 | 168.4 | -102 | 19.3 | 108.6 | N34 D197 | N34-R36 PolarHBondContact O-N 2.75Å; R36-D197 IonicContact CZ-OD1 3.85Å; R36-D197 IonicContact CZ-OD2 3.19Å; R36-D197 IonicContact NH1-OD1 2.61Å; R36-D197 PolarHBondContact NH1-OD1 2.61Å; R36-D197 IonicContact NH1-OD2 3.31Å; R36-D197 PolarHBondContact NH1-OD2 3.37Å; R36-D197 VanDerWaalsContact NH2-CG 3.35Å; R36-D197 IonicContact NH2-OD1 3.81Å; R36-D197 PolarHBondContact NH2-OD1 2.6Å; R36-D197 IonicContact NH2-OD2 2.67Å | ||
| 37 | R | 37.8 | Very low | 44.1 | Very low | 171 Ų | 171 | 150.1 Ų | 150.1 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | trans | -132 | 130.4 | 165.3 | -77.6 | -173.4 | 158.2 | 177.6 | -8.8 | 107.8 | K35 E39 | K35-R37 HydrophobicContact CG-CG 4.47Å; K35-R37 PolarHBondContact O-N 3.02Å; R37-E39 HydrophobicContact CB-CB 4.16Å; R37-E39 PolarHBondContact O-N 3.39Å | ||
| 38 | S | 47.7 | Very low | 44.8 | Very low | 131 Ų | 131 | 154 Ų | 154 | 92% | 0.916 | 76% | 0.759 | S | S | * | * | trans | -69.2 | 76.3 | 158.8 | 49.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 39 | E | 31.5 | Very low | 44.9 | Very low | 132 Ų | 132 | 150.7 Ų | 150.7 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | trans | -96 | 129.9 | -174.5 | -166.1 | 176.5 | 149.1 | 0 | 0 | 109.2 | R37 V41 | R37-E39 HydrophobicContact CB-CB 4.16Å; R37-E39 PolarHBondContact O-N 3.39Å; E39-V41 HydrophobicContact CB-CG2 3.86Å; E39-V41 VanDerWaalsContact CD-CG2 3.49Å; E39-V41 HydrophobicContact CG-CG2 3.51Å; E39-V41 PolarHBondContact O-N 3.29Å; E39-V41 WeakPolarHBondContact OE1-CG2 3.32Å | ||
| 40 | V | 45.8 | Very low | 45 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 89% | 0.885 | 75% | 0.745 | S | S | * | * | trans | -76.4 | 61.1 | 172.7 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 41 | V | 35.2 | Very low | 45.9 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 48% | 0.479 | 73% | 0.726 | S | S | . | * | trans | -77.2 | 126.9 | 167.8 | -172.2 | 0 | 0 | 0 | 0 | 107 | E39 V43 | E39-V41 HydrophobicContact CB-CG2 3.86Å; E39-V41 VanDerWaalsContact CD-CG2 3.49Å; E39-V41 HydrophobicContact CG-CG2 3.51Å; E39-V41 PolarHBondContact O-N 3.29Å; E39-V41 WeakPolarHBondContact OE1-CG2 3.32Å; V41-V43 HydrophobicContact CB-CG2 3.8Å; V41-V43 HydrophobicContact CG1-CG2 3.48Å; V41-V43 VanDerWaalsContact CG1-CG2 3.48Å; V41-V43 PolarHBondContact O-N 3.45Å | ||
| 42 | V | 45.7 | Very low | 47.2 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 84% | 0.836 | 72% | 0.719 | S | S | * | * | trans | -73.9 | 61.8 | 167.4 | -169.9 | 0 | 0 | 0 | 0 | 109 | K44 | V42-K44 PolarHBondContact O-N 2.67Š| ||
| 43 | V | 34.6 | Very low | 48.7 | Very low | 115 Ų | 115 | 134.2 Ų | 134.2 | 70% | 0.697 | 70% | 0.695 | S | S | * | * | trans | -66.5 | 101.7 | 168 | -175.5 | 0 | 0 | 0 | 0 | 105.9 | V41 G45 | V41-V43 HydrophobicContact CB-CG2 3.8Å; V41-V43 HydrophobicContact CG1-CG2 3.48Å; V41-V43 VanDerWaalsContact CG1-CG2 3.48Å; V41-V43 PolarHBondContact O-N 3.45Å; V43-G45 WeakPolarHBondContact O-CA 3.3Å; V43-G45 PolarHBondContact O-N 2.9Å | ||
| 44 | K | 47.3 | Very low | 50.2 | Low | 183 Ų | 183 | 125.1 Ų | 125.1 | 80% | 0.796 | 66% | 0.66 | S | S | * | * | trans | -41.4 | 107.1 | -176.6 | -179.1 | 161.7 | -176.1 | 163 | 0 | 110.3 | V42 K46 | V42-K44 PolarHBondContact O-N 2.67Å; K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 3.31Å | ||
| 45 | G | 46.7 | Very low | 52.3 | Low | 58 Ų | 58 | 123.7 Ų | 123.7 | 60% | 0.598 | 65% | 0.652 | S | S | * | * | trans | -68.9 | 80.1 | -158.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | V43 L47 | V43-G45 WeakPolarHBondContact O-CA 3.3Å; V43-G45 PolarHBondContact O-N 2.9Å; G45-L47 PolarHBondContact O-N 2.84Å | ||
| 46 | K | 47.9 | Very low | 54.4 | Low | 194 Ų | 194 | 119.1 Ų | 119.1 | 84% | 0.843 | 64% | 0.637 | S | S | * | * | trans | -73.1 | 52.3 | 170.1 | -71.1 | -172 | 175 | -177.7 | 0 | 111.2 | K44 K48 | K44-K46 VanDerWaalsContact C-N 3.32Å; K44-K46 PolarHBondContact O-N 3.31Å; K46-K48 PolarHBondContact O-N 2.76Å; K46-K48 VanDerWaalsContact O-N 3.14Å | ||
| 47 | L | 47.3 | Very low | 56.2 | Low | 121 Ų | 121 | 111 Ų | 111 | 63% | 0.634 | 61% | 0.609 | S | S | * | * | trans | -62.3 | 113.1 | 160.8 | -77.5 | 79.1 | 0 | 0 | 0 | 106.8 | G45 L49 | G45-L47 PolarHBondContact O-N 2.84Å; L47-L49 HydrophobicContact CB-CD2 3.87Å; L47-L49 HydrophobicContact CB-CG 3.84Å; L47-L49 HydrophobicContact CD2-CD2 3.77Å; L47-L49 HydrophobicContact CG-CD2 4.49Å; L47-L49 PolarHBondContact O-N 2.77Å | ||
| 48 | K | 57.6 | Low | 58.6 | Low | 202 Ų | 202 | 107.3 Ų | 107.3 | 88% | 0.878 | 61% | 0.605 | S | S | * | * | trans | -70.1 | 82.5 | 162.7 | -71.5 | -170.8 | 173.7 | -171.5 | 0 | 107.7 | K46 C50 | K46-K48 PolarHBondContact O-N 2.76Å; K46-K48 VanDerWaalsContact O-N 3.14Å; K48-C50 PolarHBondContact O-N 3.2Å | ||
| 49 | L | 45 | Very low | 60.5 | Low | 111 Ų | 111 | 105.2 Ų | 105.2 | 58% | 0.581 | 58% | 0.583 | S | S | * | * | trans | -68 | -16 | -176.3 | -72.1 | 175.1 | 0 | 0 | 0 | 113.3 | L47 S51 | L47-L49 HydrophobicContact CB-CD2 3.87Å; L47-L49 HydrophobicContact CB-CG 3.84Å; L47-L49 HydrophobicContact CD2-CD2 3.77Å; L47-L49 HydrophobicContact CG-CD2 4.49Å; L47-L49 PolarHBondContact O-N 2.77Å; L49-S51 PolarHBondContact O-N 2.91Å | ||
| 50 | C | 53.4 | Low | 63.4 | Low | 130 Ų | 130 | 99 Ų | 99 | 88% | 0.878 | 55% | 0.554 | S | S | * | * | trans | -69 | 43.5 | 172.6 | -48.4 | 0 | 0 | 0 | 0 | 113.7 | K48 | K48-C50 PolarHBondContact O-N 3.2Š| ||
| 51 | S | 68.3 | Low | 65.5 | Low | 65 Ų | 65 | 95.5 Ų | 95.5 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | trans | -80 | 140.6 | 157.7 | -171.1 | 0 | 0 | 0 | 0 | 107.4 | L49 S53 G54 L55 | L49-S51 PolarHBondContact O-N 2.91Å; S51-S53 VanDerWaalsContact C-N 3.3Å; S51-S53 PolarHBondContact O-N 3.12Å; S51-S53 VanDerWaalsContact O-N 3.15Å; S51-G54 WeakPolarHBondContact O-CA 3.45Å; S51-G54 PolarHBondContact O-N 2.97Å; S51-L55 PolarHBondContact O-N 3.41Å | ||
| 52 | I | 76.7 | Confident | 68.2 | Low | 145 Ų | 145 | 96.5 Ų | 96.5 | 74% | 0.744 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -49.8 | -47.5 | -172.2 | -65 | 164.9 | 0 | 0 | 0 | 112.5 | G54 L55 V56 | I52-G54 VanDerWaalsContact C-N 3.28Å; I52-G54 PolarHBondContact O-N 3.1Å; I52-L55 WeakPolarHBondContact O-CB 3.05Å; I52-L55 PolarHBondContact O-N 3.23Å; I52-L55 VanDerWaalsContact O-N 3.07Å; I52-V56 PolarHBondContact O-N 3.46Å; I52-V56 VanDerWaalsContact O-N 3.1Å |
| 53 | S | 73.9 | Confident | 70.3 | Confident | 17 Ų | 17 | 91.7 Ų | 91.7 | 12% | 0.119 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -62.2 | -28.7 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 114.3 | S51 A57 L182 | S51-S53 VanDerWaalsContact C-N 3.3Å; S51-S53 PolarHBondContact O-N 3.12Å; S51-S53 VanDerWaalsContact O-N 3.15Å; S53-A57 PolarHBondContact O-N 2.94Å; S53-L182 VanDerWaalsContact OG-CA 3.29Å; S53-L182 WeakPolarHBondContact OG-CA 3.12Å; S53-L182 WeakPolarHBondContact OG-CB 3.18Å; S53-L182 VanDerWaalsContact OG-CG 3.3Å; S53-L182 WeakPolarHBondContact OG-CG 3.35Å; S53-L182 PolarHBondContact OG-N 3.21Å |
| 54 | G | 82.2 | Confident | 73.1 | Confident | 18 Ų | 18 | 88.3 Ų | 88.3 | 19% | 0.186 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -71.8 | -34.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | S51 I52 A57 V58 | S51-G54 WeakPolarHBondContact O-CA 3.45Å; S51-G54 PolarHBondContact O-N 2.97Å; I52-G54 VanDerWaalsContact C-N 3.28Å; I52-G54 PolarHBondContact O-N 3.1Å; G54-A57 PolarHBondContact O-N 2.84Å; G54-V58 WeakPolarHBondContact O-CG2 3.47Å; G54-V58 PolarHBondContact O-N 3.43Å |
| 55 | L | 83.6 | Confident | 75.1 | Confident | 105 Ų | 105 | 84.7 Ų | 84.7 | 55% | 0.55 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 171.1 | 179.3 | 64.2 | 0 | 0 | 0 | 110.8 | S51 I52 A57 V58 L59 | S51-L55 PolarHBondContact O-N 3.41Å; I52-L55 WeakPolarHBondContact O-CB 3.05Å; I52-L55 PolarHBondContact O-N 3.23Å; I52-L55 VanDerWaalsContact O-N 3.07Å; L55-A57 VanDerWaalsContact C-N 3.32Å; L55-A57 PolarHBondContact O-N 2.74Å; L55-V58 PolarHBondContact O-N 3.16Å; L55-L59 HydrophobicContact CG-CD1 4.13Å; L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 2.8Å |
| 56 | V | 85 | Confident | 77.1 | Confident | 61 Ų | 61 | 84.3 Ų | 84.3 | 37% | 0.37 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 176.7 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | I52 L59 G60 A178 | I52-V56 PolarHBondContact O-N 3.46Å; I52-V56 VanDerWaalsContact O-N 3.1Å; V56-L59 PolarHBondContact O-N 3.13Å; V56-G60 PolarHBondContact O-N 2.88Å; V56-A178 HydrophobicContact CB-CB 4.39Å; V56-A178 HydrophobicContact CG1-CB 3.97Å |
| 57 | A | 86.4 | Confident | 79 | Confident | 9 Ų | 9 | 75 Ų | 75 | 7% | 0.074 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S53 G54 L55 G60 I61 A178 L182 | S53-A57 PolarHBondContact O-N 2.94Å; G54-A57 PolarHBondContact O-N 2.84Å; L55-A57 VanDerWaalsContact C-N 3.32Å; L55-A57 PolarHBondContact O-N 2.74Å; A57-G60 PolarHBondContact O-N 3.47Å; A57-I61 VanDerWaalsContact O-CG1 3.31Å; A57-I61 WeakPolarHBondContact O-CG1 3.05Å; A57-I61 PolarHBondContact O-N 3.49Å; A57-A178 HydrophobicContact CB-CB 4.13Å; A57-L182 HydrophobicContact CB-CD1 3.81Å |
| 58 | V | 88.9 | Confident | 80.9 | Confident | 93 Ų | 93 | 73 Ų | 73 | 56% | 0.564 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65.5 | -39.9 | 174.2 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | G54 L55 I61 L62 | G54-V58 WeakPolarHBondContact O-CG2 3.47Å; G54-V58 PolarHBondContact O-N 3.43Å; L55-V58 PolarHBondContact O-N 3.16Å; V58-I61 PolarHBondContact O-N 2.66Å; V58-L62 WeakPolarHBondContact O-CB 3.38Å; V58-L62 PolarHBondContact O-N 3.18Å |
| 59 | L | 88.6 | Confident | 82.3 | Confident | 87 Ų | 87 | 67.8 Ų | 67.8 | 46% | 0.455 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 174.4 | -70.8 | 168.4 | 0 | 0 | 0 | 111.9 | L55 V56 I61 L62 V63 | L55-L59 HydrophobicContact CG-CD1 4.13Å; L55-L59 WeakPolarHBondContact O-CG 3.45Å; L55-L59 PolarHBondContact O-N 2.8Å; V56-L59 PolarHBondContact O-N 3.13Å; L59-I61 VanDerWaalsContact C-N 3.34Å; L59-I61 PolarHBondContact O-N 2.71Å; L59-L62 PolarHBondContact O-N 2.83Å; L59-V63 WeakPolarHBondContact O-CG2 3.19Å; L59-V63 PolarHBondContact O-N 2.96Å |
| 60 | G | 91.4 | Very high | 84 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V56 A57 L64 | V56-G60 PolarHBondContact O-N 2.88Å; A57-G60 PolarHBondContact O-N 3.47Å; G60-L64 WeakPolarHBondContact O-CB 3.39Å; G60-L64 PolarHBondContact O-N 2.88Å |
| 61 | I | 90.3 | Very high | 85.5 | Confident | 74 Ų | 74 | 58.5 Ų | 58.5 | 38% | 0.379 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 173.8 | -67.1 | 163.7 | 0 | 0 | 0 | 111.2 | A57 V58 L59 L64 I65 F175 | A57-I61 VanDerWaalsContact O-CG1 3.31Å; A57-I61 WeakPolarHBondContact O-CG1 3.05Å; A57-I61 PolarHBondContact O-N 3.49Å; V58-I61 PolarHBondContact O-N 2.66Å; L59-I61 VanDerWaalsContact C-N 3.34Å; L59-I61 PolarHBondContact O-N 2.71Å; I61-L64 PolarHBondContact O-N 2.75Å; I61-I65 HydrophobicContact CG2-CD1 3.81Å; I61-I65 HydrophobicContact CG2-CG1 4.41Å; I61-I65 VanDerWaalsContact O-CG1 3.31Å; I61-I65 WeakPolarHBondContact O-CG1 3.45Å; I61-I65 PolarHBondContact O-N 3.35Å; I61-F175 HydrophobicContact CD1-CD2 4.42Å; I61-F175 HydrophobicContact CD1-CE2 4.01Å; I61-F175 HydrophobicContact CG1-CD2 3.79Å; I61-F175 HydrophobicContact CG1-CE2 3.77Å |
| 62 | L | 92.3 | Very high | 86.1 | Confident | 99 Ų | 99 | 57.7 Ų | 57.7 | 52% | 0.518 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 177.6 | -178.4 | 62.9 | 0 | 0 | 0 | 111.5 | V58 L59 L64 I65 V66 | V58-L62 WeakPolarHBondContact O-CB 3.38Å; V58-L62 PolarHBondContact O-N 3.18Å; L59-L62 PolarHBondContact O-N 2.83Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 2.9Å; L62-I65 PolarHBondContact O-N 2.94Å; L62-V66 WeakPolarHBondContact O-CG2 3.02Å; L62-V66 PolarHBondContact O-N 3.38Å |
| 63 | V | 90.2 | Very high | 86.1 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 175.1 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | L59 G67 I167 | L59-V63 WeakPolarHBondContact O-CG2 3.19Å; L59-V63 PolarHBondContact O-N 2.96Å; V63-G67 PolarHBondContact O-N 3.09Å; V63-I167 HydrophobicContact CG1-CD1 3.73Å; V63-I167 HydrophobicContact CG1-CG1 4.03Å |
| 64 | L | 91.3 | Very high | 86.2 | Confident | 44 Ų | 44 | 54.8 Ų | 54.8 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 174.1 | -179.2 | 60.6 | 0 | 0 | 0 | 112.3 | G60 I61 L62 G67 V68 M168 I172 | G60-L64 WeakPolarHBondContact O-CB 3.39Å; G60-L64 PolarHBondContact O-N 2.88Å; I61-L64 PolarHBondContact O-N 2.75Å; L62-L64 VanDerWaalsContact C-N 3.3Å; L62-L64 PolarHBondContact O-N 2.9Å; L64-G67 PolarHBondContact O-N 2.88Å; L64-V68 HydrophobicContact CD1-CG2 4.28Å; L64-V68 WeakPolarHBondContact O-CB 3.48Å; L64-V68 WeakPolarHBondContact O-CG2 3.38Å; L64-V68 PolarHBondContact O-N 3.49Å; L64-M168 HydrophobicContact CD1-CG 4.23Å; L64-I172 HydrophobicContact CD1-CG1 3.84Å |
| 65 | I | 91.1 | Very high | 85.6 | Confident | 106 Ų | 106 | 63.6 Ų | 63.6 | 54% | 0.544 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 176.8 | -70.5 | 165.3 | 0 | 0 | 0 | 110.6 | I61 L62 G67 V68 L69 | I61-I65 HydrophobicContact CG2-CD1 3.81Å; I61-I65 HydrophobicContact CG2-CG1 4.41Å; I61-I65 VanDerWaalsContact O-CG1 3.31Å; I61-I65 WeakPolarHBondContact O-CG1 3.45Å; I61-I65 PolarHBondContact O-N 3.35Å; L62-I65 PolarHBondContact O-N 2.94Å; I65-G67 VanDerWaalsContact C-N 3.31Å; I65-G67 PolarHBondContact O-N 2.86Å; I65-V68 PolarHBondContact O-N 2.81Å; I65-L69 WeakPolarHBondContact O-CB 3.48Å; I65-L69 PolarHBondContact O-N 3.49Å |
| 66 | V | 88 | Confident | 84.7 | Confident | 50 Ų | 50 | 67.3 Ų | 67.3 | 30% | 0.303 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 173.7 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | L62 L69 M70 | L62-V66 WeakPolarHBondContact O-CG2 3.02Å; L62-V66 PolarHBondContact O-N 3.38Å; V66-L69 CarbonylContact O-C 3.59Å; V66-L69 PolarHBondContact O-N 2.81Å; V66-M70 HydrophobicContact CG1-CE 4.24Å; V66-M70 HydrophobicContact CG1-CG 4.26Å; V66-M70 VanDerWaalsContact O-CG 3.32Å; V66-M70 WeakPolarHBondContact O-CG 3.37Å; V66-M70 PolarHBondContact O-N 3.38Å |
| 67 | G | 88.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.6 | -36.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V63 L64 I65 M70 A71 I167 | V63-G67 PolarHBondContact O-N 3.09Å; L64-G67 PolarHBondContact O-N 2.88Å; I65-G67 VanDerWaalsContact C-N 3.31Å; I65-G67 PolarHBondContact O-N 2.86Å; G67-M70 PolarHBondContact O-N 2.78Å; G67-A71 VanDerWaalsContact O-CB 3.23Å; G67-A71 WeakPolarHBondContact O-CB 3.21Å; G67-A71 PolarHBondContact O-N 3.48Å; G67-I167 VanDerWaalsContact CA-CG2 3.48Å |
| 68 | V | 87.5 | Confident | 81.7 | Confident | 77 Ų | 77 | 77.8 Ų | 77.8 | 47% | 0.467 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 170.2 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | L64 I65 A72 | L64-V68 HydrophobicContact CD1-CG2 4.28Å; L64-V68 WeakPolarHBondContact O-CB 3.48Å; L64-V68 WeakPolarHBondContact O-CG2 3.38Å; L64-V68 PolarHBondContact O-N 3.49Å; I65-V68 PolarHBondContact O-N 2.81Å; V68-A72 WeakPolarHBondContact O-CB 3.28Å; V68-A72 PolarHBondContact O-N 3.21Å |
| 69 | L | 86.8 | Confident | 80 | Confident | 93 Ų | 93 | 78.1 Ų | 78.1 | 49% | 0.487 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 175.4 | -176 | 62.1 | 0 | 0 | 0 | 112.1 | I65 V66 A72 L73 | I65-L69 WeakPolarHBondContact O-CB 3.48Å; I65-L69 PolarHBondContact O-N 3.49Å; V66-L69 CarbonylContact O-C 3.59Å; V66-L69 PolarHBondContact O-N 2.81Å; L69-A72 PolarHBondContact O-N 2.79Å; L69-L73 HydrophobicContact CD1-CD1 4.18Å; L69-L73 HydrophobicContact CD1-CG 4.28Å; L69-L73 HydrophobicContact CG-CD1 4.01Å; L69-L73 HydrophobicContact CG-CG 4.5Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 VanDerWaalsContact O-CG 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 2.86Å |
| 70 | M | 81 | Confident | 78.2 | Confident | 21 Ų | 21 | 76.7 Ų | 76.7 | 10% | 0.103 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -73.8 | -35 | 177.3 | -62.5 | -49.7 | 162.4 | 0 | 0 | 112.7 | V66 G67 L73 G74 L151 L155 | V66-M70 HydrophobicContact CG1-CE 4.24Å; V66-M70 HydrophobicContact CG1-CG 4.26Å; V66-M70 VanDerWaalsContact O-CG 3.32Å; V66-M70 WeakPolarHBondContact O-CG 3.37Å; V66-M70 PolarHBondContact O-N 3.38Å; G67-M70 PolarHBondContact O-N 2.78Å; M70-L73 HydrophobicContact SD-CD1 4.27Å; M70-G74 PolarHBondContact O-N 2.7Å; M70-L151 HydrophobicContact CE-CD1 3.85Å; M70-L151 HydrophobicContact CE-CD2 3.96Å; M70-L151 HydrophobicContact CE-CG 4.46Å; M70-L155 HydrophobicContact CE-CD1 3.79Å; M70-L155 HydrophobicContact CG-CD2 4.17Å; M70-L155 HydrophobicContact SD-CD1 3.47Å; M70-L155 WeakPolarHBondContact SD-CD1 3.34Å; M70-L155 HydrophobicContact SD-CD2 3.68Å; M70-L155 HydrophobicContact SD-CG 4.24Å |
| 71 | A | 83.3 | Confident | 76.3 | Confident | 26 Ų | 26 | 83.9 Ų | 83.9 | 22% | 0.215 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G67 Y75 M168 | G67-A71 VanDerWaalsContact O-CB 3.23Å; G67-A71 WeakPolarHBondContact O-CB 3.21Å; G67-A71 PolarHBondContact O-N 3.48Å; A71-Y75 VanDerWaalsContact O-CB 3.22Å; A71-Y75 WeakPolarHBondContact O-CB 3.43Å; A71-Y75 PolarHBondContact O-N 3.28Å; A71-Y75 VanDerWaalsContact O-N 3.09Å; A71-M168 HydrophobicContact CB-CE 3.64Å |
| 72 | A | 82.1 | Confident | 74.2 | Confident | 47 Ų | 47 | 88.6 Ų | 88.6 | 39% | 0.388 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -51 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | V68 L69 G74 Y75 W76 | V68-A72 WeakPolarHBondContact O-CB 3.28Å; V68-A72 PolarHBondContact O-N 3.21Å; L69-A72 PolarHBondContact O-N 2.79Å; A72-G74 PolarHBondContact O-N 3.14Å; A72-Y75 CarbonylContact O-C 3.43Å; A72-Y75 PolarHBondContact O-N 2.86Å; A72-W76 WeakPolarHBondContact O-CA 3.47Å; A72-W76 WeakPolarHBondContact O-CB 3.13Å; A72-W76 PolarHBondContact O-N 3.49Å |
| 73 | L | 77.1 | Confident | 72 | Confident | 86 Ų | 86 | 92.6 Ų | 92.6 | 45% | 0.45 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.1 | -34.8 | -179.8 | -70.9 | 170.7 | 0 | 0 | 0 | 113.5 | L69 M70 Y75 W76 | L69-L73 HydrophobicContact CD1-CD1 4.18Å; L69-L73 HydrophobicContact CD1-CG 4.28Å; L69-L73 HydrophobicContact CG-CD1 4.01Å; L69-L73 HydrophobicContact CG-CG 4.5Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 VanDerWaalsContact O-CG 3.28Å; L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 2.86Å; M70-L73 HydrophobicContact SD-CD1 4.27Å; L73-Y75 VanDerWaalsContact C-N 3.29Å; L73-W76 PolarHBondContact O-N 2.82Å |
| 74 | G | 75.1 | Confident | 69.9 | Low | 16 Ų | 16 | 96.1 Ų | 96.1 | 17% | 0.165 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -76.7 | -11.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | M70 A72 | M70-G74 PolarHBondContact O-N 2.7Å; A72-G74 PolarHBondContact O-N 3.14Å |
| 75 | Y | 69 | Low | 67.6 | Low | 202 Ų | 202 | 98.9 Ų | 98.9 | 79% | 0.792 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -107.8 | -13.4 | 170.5 | -171.1 | -102.6 | 0 | 0 | 0 | 112.5 | A71 A72 L73 P77 | A71-Y75 VanDerWaalsContact O-CB 3.22Å; A71-Y75 WeakPolarHBondContact O-CB 3.43Å; A71-Y75 PolarHBondContact O-N 3.28Å; A71-Y75 VanDerWaalsContact O-N 3.09Å; A72-Y75 CarbonylContact O-C 3.43Å; A72-Y75 PolarHBondContact O-N 2.86Å; L73-Y75 VanDerWaalsContact C-N 3.29Å; Y75-P77 WeakPolarHBondContact O-CD 3.42Å |
| 76 | W | 65.7 | Low | 65 | Low | 184 Ų | 184 | 101.3 Ų | 101.3 | 70% | 0.697 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -72.4 | 121.2 | -179.7 | -168.4 | -88.2 | 0 | 0 | 0 | 109.2 | A72 L73 R78 | A72-W76 WeakPolarHBondContact O-CA 3.47Å; A72-W76 WeakPolarHBondContact O-CB 3.13Å; A72-W76 PolarHBondContact O-N 3.49Å; L73-W76 PolarHBondContact O-N 2.82Å; W76-R78 PolarHBondContact O-N 3.05Å |
| 77 | P | 52.7 | Low | 63.1 | Low | 79 Ų | 79 | 104.1 Ų | 104.1 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | trans | -70.2 | 101.4 | -177 | 28.1 | -33.8 | 0 | 0 | 0 | 110 | Y75 D79 G80 | Y75-P77 WeakPolarHBondContact O-CD 3.42Å; P77-D79 PolarHBondContact O-N 2.89Å; P77-G80 PolarHBondContact O-N 3.22Å | ||
| 78 | R | 56 | Low | 61.3 | Low | 211 Ų | 211 | 112.1 Ų | 112.1 | 80% | 0.796 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -64.2 | -18.8 | 166.6 | -77.5 | -168 | 170.4 | -146.2 | 0.4 | 111.9 | W76 G80 | W76-R78 PolarHBondContact O-N 3.05Å; R78-G80 VanDerWaalsContact C-N 3.25Å; R78-G80 PolarHBondContact O-N 3.34Å |
| 79 | D | 52.7 | Low | 59.2 | Low | 100 Ų | 100 | 116 Ų | 116 | 54% | 0.535 | 60% | 0.597 | S | S | . | * | G | 310 helix | trans | -73.6 | -14.8 | -179.2 | -40 | -68.8 | 0 | 0 | 0 | 113.2 | P77 L81 F82 F83 | P77-D79 PolarHBondContact O-N 2.89Å; D79-L81 PolarHBondContact O-N 3.03Å; D79-F82 PolarHBondContact O-N 3.46Å; D79-F83 HydrophobicContact CB-CD2 4.04Å; D79-F83 HydrophobicContact CB-CE2 4.22Å; D79-F83 PolarHBondContact O-N 3.36Å |
| 80 | G | 50 | Low | 57.4 | Low | 56 Ų | 56 | 114.9 Ų | 114.9 | 58% | 0.577 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -64.6 | -6.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116 | P77 R78 | P77-G80 PolarHBondContact O-N 3.22Å; R78-G80 VanDerWaalsContact C-N 3.25Å; R78-G80 PolarHBondContact O-N 3.34Å |
| 81 | L | 52.2 | Low | 55.7 | Low | 152 Ų | 152 | 119 Ų | 119 | 80% | 0.796 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -110.9 | 2.4 | 174.9 | -71.1 | 175.9 | 0 | 0 | 0 | 114.1 | D79 | D79-L81 PolarHBondContact O-N 3.03Š|
| 82 | F | 45.7 | Very low | 53.9 | Low | 173 Ų | 173 | 122.8 Ų | 122.8 | 76% | 0.759 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | -13.9 | 178.8 | -70.7 | -73.8 | 0 | 0 | 0 | 114.5 | D79 | D79-F82 PolarHBondContact O-N 3.46Š|
| 83 | F | 45.7 | Very low | 52.2 | Low | 184 Ų | 184 | 129.6 Ų | 129.6 | 81% | 0.807 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -96.5 | 22.5 | -179.3 | -83.1 | -75.5 | 0 | 0 | 0 | 115.7 | D79 | D79-F83 HydrophobicContact CB-CD2 4.04Å; D79-F83 HydrophobicContact CB-CE2 4.22Å; D79-F83 PolarHBondContact O-N 3.36Å |
| 84 | S | 45.8 | Very low | 50.4 | Low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -126.6 | 0.1 | -179.6 | -164.6 | 0 | 0 | 0 | 0 | 116 | ||
| 85 | S | 43.9 | Very low | 48.9 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -160 | 67.6 | -178.7 | 65.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 86 | Q | 37.3 | Very low | 47.3 | Very low | 156 Ų | 156 | 135 Ų | 135 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | trans | -163.4 | 110.8 | 149.3 | -115.5 | -67.3 | 26.5 | 0 | 0 | 110.5 | ||||
| 87 | P | 47.5 | Very low | 45.6 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 71% | 0.708 | 74% | 0.738 | S | S | * | * | trans | -87.3 | 132.2 | 179.8 | 32.9 | -34.2 | 0 | 0 | 0 | 113.7 | E89 | P87-E89 PolarHBondContact O-N 3.44Š| ||
| 88 | Q | 50.9 | Low | 44.7 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 48.7 | 59.2 | 146.4 | -160.4 | -179.3 | -4 | 0 | 0 | 117.2 | G90 | Q88-G90 PolarHBondContact O-N 3.3Š| ||
| 89 | E | 42.9 | Very low | 43.4 | Very low | 159 Ų | 159 | 134.5 Ų | 134.5 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -80 | 60.5 | 164.6 | -162.7 | 156.5 | -149.7 | 0 | 0 | 111.2 | P87 | P87-E89 PolarHBondContact O-N 3.44Š| ||
| 90 | G | 48.2 | Very low | 42.5 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -116.5 | 26.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q88 | Q88-G90 PolarHBondContact O-N 3.3Š| ||
| 91 | T | 47 | Very low | 41.9 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -142.6 | 24.1 | -163.1 | -29.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 92 | T | 44.9 | Very low | 40.9 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 64% | 0.638 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -127.2 | 9.9 | -172.3 | 45.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 93 | M | 45.6 | Very low | 40.7 | Very low | 190 Ų | 190 | 132.6 Ų | 132.6 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -135.1 | 13 | 176 | -61.2 | -169.9 | -171 | 0 | 0 | 115.1 | ||
| 94 | A | 40.4 | Very low | 40 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -136.6 | 30.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 95 | L | 42.3 | Very low | 39.1 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -152.3 | 148.4 | 161.4 | -149.2 | 67.1 | 0 | 0 | 0 | 112.9 | ||
| 96 | M | 35.9 | Very low | 38.5 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 65.3 | 79.3 | 171.3 | -56.3 | -160.5 | 177.4 | 0 | 0 | 118.1 | ||||
| 97 | S | 29.8 | Very low | 38.2 | Very low | 126 Ų | 126 | 133 Ų | 133 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | -159.8 | 66.2 | 131.7 | -83.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 98 | F | 33 | Very low | 37.4 | Very low | 224 Ų | 224 | 131.1 Ų | 131.1 | 98% | 0.982 | 79% | 0.789 | S | S | * | * | trans | -101.9 | 92.7 | 160.5 | -90.7 | -73.5 | 0 | 0 | 0 | 109.3 | ||||
| 99 | S | 30.1 | Very low | 36.4 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -165.7 | 124.3 | 152 | -168.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 100 | S | 33.1 | Very low | 35.7 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -113.2 | 140.8 | 159.5 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 101 | P | 38.7 | Very low | 35.4 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | -138.6 | 152.2 | 107 | 36.8 | -26 | 0 | 0 | 0 | 114.3 | |||||
| 102 | A | 31 | Very low | 34.4 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | -77.4 | 168.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 103 | P | 40.1 | Very low | 33.4 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | -149.1 | -166.9 | 84.1 | 40.4 | -21.7 | 0 | 0 | 0 | 115.3 | |||||
| 104 | A | 30.9 | Very low | 32.8 | Very low | 97 Ų | 97 | 143 Ų | 143 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | 80.7 | 114.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 105 | L | 27.1 | Very low | 32.3 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | cis | 105 | 125.2 | 17.5 | -167 | 94.8 | 0 | 0 | 0 | 112.6 | ||||
| 106 | V | 32.1 | Very low | 31.9 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 72% | 0.721 | 82% | 0.823 | S | S | * | * | trans | 68.4 | 131.6 | -178.9 | -168.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 107 | E | 30.6 | Very low | 31.8 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | cis | -159.9 | 173.8 | -16.3 | -109.2 | 174.9 | 160.3 | 0 | 0 | 106.5 | ||||
| 108 | G | 30.6 | Very low | 32.1 | Very low | 68 Ų | 68 | 148.8 Ų | 148.8 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | cis | 170.6 | 146.2 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 109 | Q | 29.6 | Very low | 32.2 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | 55.4 | 105.7 | 160.9 | -162.7 | 161.3 | -2.8 | 0 | 0 | 122 | ||||
| 110 | E | 28.7 | Very low | 32.3 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | -73.7 | 173.3 | 152.6 | -86.3 | -74.3 | 135.6 | 0 | 0 | 112.1 | ||||
| 111 | P | 40.9 | Very low | 32.6 | Very low | 102 Ų | 102 | 148.8 Ų | 148.8 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | cis | -128.3 | 174.1 | -10.1 | 40.2 | -26.6 | 0 | 0 | 0 | 113.9 | ||||
| 112 | R | 26 | Very low | 32.7 | Very low | 240 Ų | 240 | 149.1 Ų | 149.1 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -155.4 | 127.2 | 154.6 | -151.9 | 170.2 | -173.6 | 159.7 | 3.4 | 116.3 | ||||
| 113 | W | 24.6 | Very low | 33 | Very low | 245 Ų | 245 | 152.7 Ų | 152.7 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | trans | -74.4 | 136.9 | 166.3 | -58.2 | 89.4 | 0 | 0 | 0 | 111.8 | ||||
| 114 | A | 33.7 | Very low | 32.8 | Very low | 101 Ų | 101 | 154.5 Ų | 154.5 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -156.3 | 115.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 115 | E | 30 | Very low | 33.1 | Very low | 190 Ų | 190 | 160.8 Ų | 160.8 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -88.9 | 142.1 | 172.4 | -172.5 | 159.6 | 107.2 | 0 | 0 | 110.2 | ||||
| 116 | S | 34 | Very low | 33.7 | Very low | 125 Ų | 125 | 156.6 Ų | 156.6 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -155.7 | 146.6 | 162.7 | -83.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 117 | D | 33.6 | Very low | 33.9 | Very low | 122 Ų | 122 | 158.4 Ų | 158.4 | 65% | 0.652 | 82% | 0.822 | S | S | * | * | trans | -109.7 | 167.4 | -161.8 | 167 | 37.4 | 0 | 0 | 0 | 111.2 | ||||
| 118 | R | 35.2 | Very low | 34 | Very low | 226 Ų | 226 | 151.8 Ų | 151.8 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | 78 | 130 | 167.2 | -42.5 | -176.5 | -170.8 | 168.1 | 9.3 | 117.8 | ||||
| 119 | G | 34.8 | Very low | 34.2 | Very low | 79 Ų | 79 | 157.2 Ų | 157.2 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 176.2 | 31 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116 | R121 | G119-R121 PolarHBondContact O-N 2.95Š| ||
| 120 | D | 33.7 | Very low | 34.5 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | -60.7 | 128 | 177.9 | 168.5 | 46.8 | 0 | 0 | 0 | 112.4 | ||||
| 121 | R | 39.6 | Very low | 34.9 | Very low | 236 Ų | 236 | 154 Ų | 154 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -158.9 | 136.5 | 133.6 | -105.8 | 151.3 | -157.4 | -151.8 | 1.9 | 113.2 | G119 | G119-R121 PolarHBondContact O-N 2.95Š| ||
| 122 | T | 40.4 | Very low | 34.4 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | -66.5 | 152.6 | -173.2 | 49.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 123 | N | 37.6 | Very low | 35.4 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -57.7 | 152.8 | 163.4 | -51.3 | -85.5 | 0 | 0 | 0 | 112.3 | ||||
| 124 | D | 35 | Very low | 35.8 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | -141.4 | 168.8 | 124.8 | -145.6 | -22.7 | 0 | 0 | 0 | 110.6 | |||||
| 125 | R | 38.3 | Very low | 36 | Very low | 230 Ų | 230 | 148 Ų | 148 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 149.9 | -148.1 | -180 | 173.7 | -76.7 | -162.2 | -4.9 | 114.3 | ||
| 126 | G | 39 | Very low | 36.7 | Very low | 74 Ų | 74 | 146.6 Ų | 146.6 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 157.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 127 | N | 36.3 | Very low | 37 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -78 | 143.5 | 179.6 | 162.5 | 65.6 | 0 | 0 | 0 | 113.8 | ||
| 128 | G | 31.9 | Very low | 37 | Very low | 46 Ų | 46 | 144.2 Ų | 144.2 | 47% | 0.474 | 79% | 0.79 | S | S | . | * | trans | 113.5 | 121.2 | 134.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 129 | F | 34.5 | Very low | 37.2 | Very low | 183 Ų | 183 | 137.8 Ų | 137.8 | 80% | 0.803 | 78% | 0.779 | S | S | * | * | trans | 64.6 | 153.3 | 145.4 | -60.2 | -81 | 0 | 0 | 0 | 118.4 | ||||
| 130 | N | 37.4 | Very low | 37.1 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 66% | 0.663 | 78% | 0.783 | S | S | * | * | cis | -147.4 | 176.9 | 14.1 | -134.8 | -27.2 | 0 | 0 | 0 | 114.2 | ||||
| 131 | Q | 37.4 | Very low | 37.3 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -68 | 154.2 | -172 | -57 | 143.8 | 77.8 | 0 | 0 | 116.1 | ||||
| 132 | S | 30.6 | Very low | 37.4 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | -160.5 | 135.3 | 125.2 | -170.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 133 | E | 46.5 | Very low | 37.7 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -84.6 | 159.2 | 169.3 | -61.4 | 170.4 | 88.9 | 0 | 0 | 111.2 | ||||
| 134 | T | 32.6 | Very low | 38.3 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | -169.9 | 114.8 | 123.7 | 24.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 135 | V | 37.6 | Very low | 39.4 | Very low | 139 Ų | 139 | 130.6 Ų | 130.6 | 84% | 0.842 | 74% | 0.735 | S | S | * | * | trans | 46.5 | 116.3 | 142.3 | -167.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 136 | N | 45.4 | Very low | 40.2 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -82.1 | 156.8 | 171.6 | -140.2 | -21.8 | 0 | 0 | 0 | 112.9 | ||||
| 137 | G | 40.5 | Very low | 41 | Very low | 58 Ų | 58 | 128.5 Ų | 128.5 | 60% | 0.598 | 72% | 0.717 | S | S | * | * | trans | 98.4 | 67.7 | 134.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 138 | T | 33.8 | Very low | 42.2 | Very low | 140 Ų | 140 | 125 Ų | 125 | 86% | 0.859 | 70% | 0.695 | S | S | * | * | trans | -134.8 | 76.2 | 133.6 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | R140 | T138-R140 PolarHBondContact O-N 2.92Å; T138-R140 VanDerWaalsContact O-N 3.13Å | ||
| 139 | S | 37.8 | Very low | 43.8 | Very low | 90 Ų | 90 | 126.3 Ų | 126.3 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | trans | -60.3 | 114.9 | 175.6 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | D141 | S139-D141 VanDerWaalsContact C-N 3.34Å; S139-D141 WeakPolarHBondContact CB-OD2 3.18Å; S139-D141 PolarHBondContact O-N 2.88Å | ||
| 140 | R | 34.1 | Very low | 45.1 | Very low | 235 Ų | 235 | 122.3 Ų | 122.3 | 89% | 0.887 | 67% | 0.674 | S | S | * | * | trans | -85.6 | 86.6 | 153.8 | -83.4 | -174.5 | 168.7 | 169.6 | -0.7 | 107.1 | T138 V142 | T138-R140 PolarHBondContact O-N 2.92Å; T138-R140 VanDerWaalsContact O-N 3.13Å; R140-V142 PolarHBondContact O-N 3.23Å | ||
| 141 | D | 37.6 | Very low | 46.3 | Very low | 146 Ų | 146 | 119 Ų | 119 | 78% | 0.781 | 66% | 0.655 | S | S | * | * | trans | -68.1 | 71 | 175.1 | -68.5 | -64.5 | 0 | 0 | 0 | 111.6 | S139 | S139-D141 VanDerWaalsContact C-N 3.34Å; S139-D141 WeakPolarHBondContact CB-OD2 3.18Å; S139-D141 PolarHBondContact O-N 2.88Å | ||
| 142 | V | 41.4 | Very low | 47.5 | Very low | 94 Ų | 94 | 115.6 Ų | 115.6 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | trans | -85.7 | 134.3 | 152.4 | -177.7 | 0 | 0 | 0 | 0 | 105.7 | R140 Q144 | R140-V142 PolarHBondContact O-N 3.23Å; V142-Q144 PolarHBondContact O-N 2.83Å | ||
| 143 | P | 45.8 | Very low | 49.1 | Very low | 119 Ų | 119 | 117.8 Ų | 117.8 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -73 | 75 | -177.6 | 29.9 | -36 | 0 | 0 | 0 | 111.2 | ||
| 144 | Q | 50.8 | Low | 49.7 | Very low | 105 Ų | 105 | 115.8 Ų | 115.8 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | trans | -96.3 | -47.2 | -172.9 | -139 | 172.9 | -66.9 | 0 | 0 | 111.3 | V142 F146 L147 E148 | V142-Q144 PolarHBondContact O-N 2.83Å; Q144-F146 VanDerWaalsContact C-N 3.35Å; Q144-F146 PolarHBondContact O-N 3.45Å; Q144-F146 VanDerWaalsContact O-N 3.12Å; Q144-L147 CarbonylContact O-C 3.6Å; Q144-L147 WeakPolarHBondContact O-CA 3.41Å; Q144-L147 PolarHBondContact O-N 3.12Å; Q144-E148 WeakPolarHBondContact CB-OE2 3.06Å; Q144-E148 HydrophobicContact CG-CG 4.34Å; Q144-E148 VanDerWaalsContact CG-OE2 3.3Å; Q144-E148 WeakPolarHBondContact CG-OE2 3.12Å; Q144-E148 PolarHBondContact NE2-OE1 2.91Å; Q144-E148 PolarHBondContact O-N 3.17Å | ||
| 145 | G | 57.5 | Low | 51 | Low | 49 Ų | 49 | 110.9 Ų | 110.9 | 51% | 0.505 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -57.7 | -31.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | D149 | G145-D149 WeakPolarHBondContact O-CB 3.45Å; G145-D149 PolarHBondContact O-N 3.28Å |
| 146 | F | 56.1 | Low | 52.1 | Low | 152 Ų | 152 | 114.5 Ų | 114.5 | 67% | 0.667 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72 | -37.1 | 174 | -175.4 | -90.1 | 0 | 0 | 0 | 111.9 | Q144 F150 | Q144-F146 VanDerWaalsContact C-N 3.35Å; Q144-F146 PolarHBondContact O-N 3.45Å; Q144-F146 VanDerWaalsContact O-N 3.12Å; F146-F150 HydrophobicContact CD1-CD2 4.23Å; F146-F150 HydrophobicContact CD2-CD2 4.34Å; F146-F150 HydrophobicContact CD2-CE2 4.38Å; F146-F150 AromaticContact CE1-CD2 3.76Å; F146-F150 HydrophobicContact CE1-CD2 3.76Å; F146-F150 AromaticContact CE1-CE2 3.94Å; F146-F150 HydrophobicContact CE1-CE2 3.94Å; F146-F150 HydrophobicContact CE1-CG 4.36Å; F146-F150 AromaticContact CE2-CD2 3.9Å; F146-F150 HydrophobicContact CE2-CD2 3.9Å; F146-F150 AromaticContact CE2-CE2 3.56Å; F146-F150 HydrophobicContact CE2-CE2 3.56Å; F146-F150 AromaticContact CZ-CD2 3.58Å; F146-F150 HydrophobicContact CZ-CD2 3.58Å; F146-F150 AromaticContact CZ-CE2 3.29Å; F146-F150 HydrophobicContact CZ-CE2 3.29Å; F146-F150 HydrophobicContact CZ-CG 4.49Å; F146-F150 HydrophobicContact CZ-CZ 4Å; F146-F150 WeakPolarHBondContact O-CB 3.45Å; F146-F150 PolarHBondContact O-N 2.87Å |
| 147 | L | 56.4 | Low | 52.8 | Low | 109 Ų | 109 | 109.7 Ų | 109.7 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -74.6 | -36.5 | 174 | -75.4 | 174.5 | 0 | 0 | 0 | 111 | Q144 L151 | Q144-L147 CarbonylContact O-C 3.6Å; Q144-L147 WeakPolarHBondContact O-CA 3.41Å; Q144-L147 PolarHBondContact O-N 3.12Å; L147-L151 WeakPolarHBondContact O-CA 3.32Å; L147-L151 WeakPolarHBondContact O-CB 3.42Å; L147-L151 WeakPolarHBondContact O-CD1 3.22Å; L147-L151 WeakPolarHBondContact O-CG 3.17Å; L147-L151 PolarHBondContact O-N 3.04Å |
| 148 | E | 60.5 | Low | 53.8 | Low | 84 Ų | 84 | 114.1 Ų | 114.1 | 39% | 0.393 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.3 | -48.9 | 175.8 | -77.6 | 164.7 | 145.4 | 0 | 0 | 112 | Q144 F150 L151 D152 | Q144-E148 WeakPolarHBondContact CB-OE2 3.06Å; Q144-E148 HydrophobicContact CG-CG 4.34Å; Q144-E148 VanDerWaalsContact CG-OE2 3.3Å; Q144-E148 WeakPolarHBondContact CG-OE2 3.12Å; Q144-E148 PolarHBondContact NE2-OE1 2.91Å; Q144-E148 PolarHBondContact O-N 3.17Å; E148-F150 PolarHBondContact O-N 2.79Å; E148-L151 CarbonylContact O-C 3.56Å; E148-L151 PolarHBondContact O-N 2.95Å; E148-D152 WeakPolarHBondContact O-CB 3.36Å; E148-D152 PolarHBondContact O-N 3.13Å |
| 149 | D | 65.6 | Low | 55.1 | Low | 72 Ų | 72 | 114.9 Ų | 114.9 | 39% | 0.385 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.7 | -34.2 | 177.6 | -176.4 | 42.7 | 0 | 0 | 0 | 112.8 | G145 R153 | G145-D149 WeakPolarHBondContact O-CB 3.45Å; G145-D149 PolarHBondContact O-N 3.28Å; D149-R153 VanDerWaalsContact CG-NE 3.32Å; D149-R153 WeakPolarHBondContact O-CB 3.38Å; D149-R153 WeakPolarHBondContact O-CG 3.41Å; D149-R153 PolarHBondContact O-N 3.15Å; D149-R153 VanDerWaalsContact O-N 3.1Å; D149-R153 IonicContact OD1-CZ 3.65Å; D149-R153 VanDerWaalsContact OD1-CZ 3.24Å; D149-R153 IonicContact OD1-NE 2.61Å; D149-R153 PolarHBondContact OD1-NE 2.83Å; D149-R153 IonicContact OD1-NH2 2.69Å; D149-R153 PolarHBondContact OD1-NH2 2.82Å; D149-R153 IonicContact OD2-CZ 2.64Å; D149-R153 IonicContact OD2-NE 3.56Å; D149-R153 PolarHBondContact OD2-NE 3.15Å; D149-R153 IonicContact OD2-NH2 3.02Å; D149-R153 PolarHBondContact OD2-NH2 3.19Å |
| 150 | F | 62.8 | Low | 56.4 | Low | 100 Ų | 100 | 113.1 Ų | 113.1 | 44% | 0.439 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.5 | -39 | 171.6 | -98.2 | -97.5 | 0 | 0 | 0 | 113 | F146 E148 Y154 | F146-F150 HydrophobicContact CD1-CD2 4.23Å; F146-F150 HydrophobicContact CD2-CD2 4.34Å; F146-F150 HydrophobicContact CD2-CE2 4.38Å; F146-F150 AromaticContact CE1-CD2 3.76Å; F146-F150 HydrophobicContact CE1-CD2 3.76Å; F146-F150 AromaticContact CE1-CE2 3.94Å; F146-F150 HydrophobicContact CE1-CE2 3.94Å; F146-F150 HydrophobicContact CE1-CG 4.36Å; F146-F150 AromaticContact CE2-CD2 3.9Å; F146-F150 HydrophobicContact CE2-CD2 3.9Å; F146-F150 AromaticContact CE2-CE2 3.56Å; F146-F150 HydrophobicContact CE2-CE2 3.56Å; F146-F150 AromaticContact CZ-CD2 3.58Å; F146-F150 HydrophobicContact CZ-CD2 3.58Å; F146-F150 AromaticContact CZ-CE2 3.29Å; F146-F150 HydrophobicContact CZ-CE2 3.29Å; F146-F150 HydrophobicContact CZ-CG 4.49Å; F146-F150 HydrophobicContact CZ-CZ 4Å; F146-F150 WeakPolarHBondContact O-CB 3.45Å; F146-F150 PolarHBondContact O-N 2.87Å; E148-F150 PolarHBondContact O-N 2.79Å; F150-Y154 HydrophobicContact CD1-CD2 4.47Å; F150-Y154 HydrophobicContact CD1-CE2 4.26Å; F150-Y154 WeakPolarHBondContact O-CB 3.47Å; F150-Y154 WeakPolarHBondContact O-CD2 3.31Å; F150-Y154 PolarHBondContact O-N 3.1Å; F150-Y154 VanDerWaalsContact O-N 3.13Å |
| 151 | L | 62.3 | Low | 58.1 | Low | 53 Ų | 53 | 109.5 Ų | 109.5 | 28% | 0.277 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.2 | -56.3 | 175.4 | -76.9 | 172 | 0 | 0 | 0 | 108.8 | M70 L147 E148 R153 Y154 L155 | M70-L151 HydrophobicContact CE-CD1 3.85Å; M70-L151 HydrophobicContact CE-CD2 3.96Å; M70-L151 HydrophobicContact CE-CG 4.46Å; L147-L151 WeakPolarHBondContact O-CA 3.32Å; L147-L151 WeakPolarHBondContact O-CB 3.42Å; L147-L151 WeakPolarHBondContact O-CD1 3.22Å; L147-L151 WeakPolarHBondContact O-CG 3.17Å; L147-L151 PolarHBondContact O-N 3.04Å; E148-L151 CarbonylContact O-C 3.56Å; E148-L151 PolarHBondContact O-N 2.95Å; L151-R153 VanDerWaalsContact C-N 3.26Å; L151-R153 PolarHBondContact O-N 3.21Å; L151-R153 VanDerWaalsContact O-N 3.16Å; L151-Y154 CarbonylContact O-C 3.46Å; L151-Y154 WeakPolarHBondContact O-CA 3.46Å; L151-Y154 PolarHBondContact O-N 2.9Å; L151-L155 HydrophobicContact CB-CD1 3.72Å; L151-L155 HydrophobicContact CB-CG 4.16Å; L151-L155 HydrophobicContact CD2-CD1 4.13Å; L151-L155 HydrophobicContact CD2-CG 4.3Å; L151-L155 HydrophobicContact CG-CD1 4.41Å; L151-L155 WeakPolarHBondContact O-CA 3.39Å; L151-L155 WeakPolarHBondContact O-CB 3.34Å; L151-L155 WeakPolarHBondContact O-CG 3.32Å; L151-L155 PolarHBondContact O-N 3.28Å |
| 152 | D | 61.7 | Low | 60 | Low | 98 Ų | 98 | 107.1 Ų | 107.1 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -55.3 | -37.6 | 179.3 | -72.1 | -26 | 0 | 0 | 0 | 112.5 | E148 Y154 Y156 | E148-D152 WeakPolarHBondContact O-CB 3.36Å; E148-D152 PolarHBondContact O-N 3.13Å; D152-Y154 PolarHBondContact O-N 3.07Å; D152-Y156 WeakPolarHBondContact O-CA 3.34Å; D152-Y156 WeakPolarHBondContact O-CB 3.39Å; D152-Y156 PolarHBondContact O-N 3.41Å |
| 153 | R | 64.6 | Low | 61.6 | Low | 165 Ų | 165 | 105.9 Ų | 105.9 | 62% | 0.623 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.6 | -34.2 | 172.6 | -70.7 | 175.1 | -159.6 | -154.1 | 8.5 | 114.3 | D149 L151 | D149-R153 VanDerWaalsContact CG-NE 3.32Å; D149-R153 WeakPolarHBondContact O-CB 3.38Å; D149-R153 WeakPolarHBondContact O-CG 3.41Å; D149-R153 PolarHBondContact O-N 3.15Å; D149-R153 VanDerWaalsContact O-N 3.1Å; D149-R153 IonicContact OD1-CZ 3.65Å; D149-R153 VanDerWaalsContact OD1-CZ 3.24Å; D149-R153 IonicContact OD1-NE 2.61Å; D149-R153 PolarHBondContact OD1-NE 2.83Å; D149-R153 IonicContact OD1-NH2 2.69Å; D149-R153 PolarHBondContact OD1-NH2 2.82Å; D149-R153 IonicContact OD2-CZ 2.64Å; D149-R153 IonicContact OD2-NE 3.56Å; D149-R153 PolarHBondContact OD2-NE 3.15Å; D149-R153 IonicContact OD2-NH2 3.02Å; D149-R153 PolarHBondContact OD2-NH2 3.19Å; L151-R153 VanDerWaalsContact C-N 3.26Å; L151-R153 PolarHBondContact O-N 3.21Å; L151-R153 VanDerWaalsContact O-N 3.16Å |
| 154 | Y | 58.2 | Low | 63.3 | Low | 130 Ų | 130 | 100.3 Ų | 100.3 | 51% | 0.51 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -88.8 | -20.2 | 176.7 | -87.5 | -97.6 | 0 | 0 | 0 | 114.4 | F150 L151 D152 F163 | F150-Y154 HydrophobicContact CD1-CD2 4.47Å; F150-Y154 HydrophobicContact CD1-CE2 4.26Å; F150-Y154 WeakPolarHBondContact O-CB 3.47Å; F150-Y154 WeakPolarHBondContact O-CD2 3.31Å; F150-Y154 PolarHBondContact O-N 3.1Å; F150-Y154 VanDerWaalsContact O-N 3.13Å; L151-Y154 CarbonylContact O-C 3.46Å; L151-Y154 WeakPolarHBondContact O-CA 3.46Å; L151-Y154 PolarHBondContact O-N 2.9Å; D152-Y154 PolarHBondContact O-N 3.07Å; Y154-F163 HydrophobicContact CD1-CE1 4.24Å; Y154-F163 AromaticContact CD1-CE2 3.98Å; Y154-F163 HydrophobicContact CD1-CE2 3.98Å; Y154-F163 AromaticContact CD1-CZ 3.73Å; Y154-F163 HydrophobicContact CD1-CZ 3.73Å; Y154-F163 HydrophobicContact CE1-CE1 4.5Å; Y154-F163 AromaticContact CE1-CZ 3.97Å; Y154-F163 HydrophobicContact CE1-CZ 3.97Å |
| 155 | L | 61.1 | Low | 64.9 | Low | 31 Ų | 31 | 99 Ų | 99 | 16% | 0.162 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -104.1 | -28 | -174.4 | -65.2 | -177.4 | 0 | 0 | 0 | 112.9 | M70 L151 S157 L160 | M70-L155 HydrophobicContact CE-CD1 3.79Å; M70-L155 HydrophobicContact CG-CD2 4.17Å; M70-L155 HydrophobicContact SD-CD1 3.47Å; M70-L155 WeakPolarHBondContact SD-CD1 3.34Å; M70-L155 HydrophobicContact SD-CD2 3.68Å; M70-L155 HydrophobicContact SD-CG 4.24Å; L151-L155 HydrophobicContact CB-CD1 3.72Å; L151-L155 HydrophobicContact CB-CG 4.16Å; L151-L155 HydrophobicContact CD2-CD1 4.13Å; L151-L155 HydrophobicContact CD2-CG 4.3Å; L151-L155 HydrophobicContact CG-CD1 4.41Å; L151-L155 WeakPolarHBondContact O-CA 3.39Å; L151-L155 WeakPolarHBondContact O-CB 3.34Å; L151-L155 WeakPolarHBondContact O-CG 3.32Å; L151-L155 PolarHBondContact O-N 3.28Å; L155-S157 PolarHBondContact O-N 2.97Å; L155-L160 HydrophobicContact CB-CD2 3.86Å; L155-L160 HydrophobicContact CD2-CD2 3.57Å; L155-L160 HydrophobicContact CG-CD2 4.24Å; L155-L160 WeakPolarHBondContact O-CD1 3.26Å; L155-L160 WeakPolarHBondContact O-CD2 3.23Å; L155-L160 WeakPolarHBondContact O-CG 3.49Å |
| 156 | Y | 59.2 | Low | 66.3 | Low | 215 Ų | 215 | 101.2 Ų | 101.2 | 84% | 0.843 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -75.5 | -18.2 | 174 | -162.1 | -94.5 | 0 | 0 | 0 | 111.7 | D152 | D152-Y156 WeakPolarHBondContact O-CA 3.34Å; D152-Y156 WeakPolarHBondContact O-CB 3.39Å; D152-Y156 PolarHBondContact O-N 3.41Å |
| 157 | S | 60.1 | Low | 67.8 | Low | 59 Ų | 59 | 96.5 Ų | 96.5 | 41% | 0.413 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -71.1 | 141.7 | 164.7 | -67.3 | 0 | 0 | 0 | 0 | 111 | L155 R159 L160 | L155-S157 PolarHBondContact O-N 2.97Å; S157-R159 PolarHBondContact O-N 3.42Å; S157-L160 PolarHBondContact O-N 3.05Å |
| 158 | D | 61.7 | Low | 69.3 | Low | 150 Ų | 150 | 94.1 Ų | 94.1 | 80% | 0.802 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 17.2 | 177.2 | -159.2 | 19.2 | 0 | 0 | 0 | 114.7 | ||
| 159 | R | 62.3 | Low | 70.7 | Confident | 157 Ų | 157 | 92 Ų | 92 | 59% | 0.592 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -13 | 173.5 | -54.4 | -86.4 | 79.5 | 175.8 | 5.6 | 112 | S157 K161 V162 F163 | S157-R159 PolarHBondContact O-N 3.42Å; R159-K161 VanDerWaalsContact C-N 3.3Å; R159-K161 PolarHBondContact O-N 3.4Å; R159-K161 VanDerWaalsContact O-N 3.15Å; R159-V162 PolarHBondContact O-N 2.89Å; R159-F163 HydrophobicContact CB-CD2 3.47Å; R159-F163 VanDerWaalsContact CB-CD2 3.47Å; R159-F163 HydrophobicContact CB-CE2 3.57Å; R159-F163 HydrophobicContact CG-CE2 4.22Å; R159-F163 PolarHBondContact O-N 2.88Å |
| 160 | L | 64.1 | Low | 71.8 | Confident | 53 Ų | 53 | 92.2 Ų | 92.2 | 28% | 0.277 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -33.7 | -57.2 | 176.2 | -83.9 | 167.3 | 0 | 0 | 0 | 114.3 | L155 S157 V162 F163 G164 | L155-L160 HydrophobicContact CB-CD2 3.86Å; L155-L160 HydrophobicContact CD2-CD2 3.57Å; L155-L160 HydrophobicContact CG-CD2 4.24Å; L155-L160 WeakPolarHBondContact O-CD1 3.26Å; L155-L160 WeakPolarHBondContact O-CD2 3.23Å; L155-L160 WeakPolarHBondContact O-CG 3.49Å; S157-L160 PolarHBondContact O-N 3.05Å; L160-V162 PolarHBondContact O-N 3.47Å; L160-V162 VanDerWaalsContact O-N 3.13Å; L160-F163 PolarHBondContact O-N 2.9Å; L160-G164 PolarHBondContact O-N 3.35Å |
| 161 | K | 70.7 | Confident | 73.1 | Confident | 158 Ų | 158 | 87.4 Ų | 87.4 | 69% | 0.687 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -58.6 | -25.4 | -176.1 | -105.6 | 165.9 | 179.9 | 159.9 | 0 | 113.8 | R159 P165 | R159-K161 VanDerWaalsContact C-N 3.3Å; R159-K161 PolarHBondContact O-N 3.4Å; R159-K161 VanDerWaalsContact O-N 3.15Å; K161-P165 WeakPolarHBondContact O-CD 3.35Å |
| 162 | V | 76.3 | Confident | 74.5 | Confident | 96 Ų | 96 | 88.3 Ų | 88.3 | 58% | 0.582 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -98.4 | -35.1 | 178.8 | -172.1 | 0 | 0 | 0 | 0 | 111.1 | R159 L160 P165 L166 | R159-V162 PolarHBondContact O-N 2.89Å; L160-V162 PolarHBondContact O-N 3.47Å; L160-V162 VanDerWaalsContact O-N 3.13Å; V162-P165 WeakPolarHBondContact O-CD 3.37Å; V162-L166 WeakPolarHBondContact O-CB 3.31Å; V162-L166 PolarHBondContact O-N 2.87Å |
| 163 | F | 76.9 | Confident | 76 | Confident | 69 Ų | 69 | 90.4 Ų | 90.4 | 30% | 0.303 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 178.3 | -89.1 | -65.7 | 0 | 0 | 0 | 113.3 | Y154 R159 L160 L166 I167 | Y154-F163 HydrophobicContact CD1-CE1 4.24Å; Y154-F163 AromaticContact CD1-CE2 3.98Å; Y154-F163 HydrophobicContact CD1-CE2 3.98Å; Y154-F163 AromaticContact CD1-CZ 3.73Å; Y154-F163 HydrophobicContact CD1-CZ 3.73Å; Y154-F163 HydrophobicContact CE1-CE1 4.5Å; Y154-F163 AromaticContact CE1-CZ 3.97Å; Y154-F163 HydrophobicContact CE1-CZ 3.97Å; R159-F163 HydrophobicContact CB-CD2 3.47Å; R159-F163 VanDerWaalsContact CB-CD2 3.47Å; R159-F163 HydrophobicContact CB-CE2 3.57Å; R159-F163 HydrophobicContact CG-CE2 4.22Å; R159-F163 PolarHBondContact O-N 2.88Å; L160-F163 PolarHBondContact O-N 2.9Å; F163-L166 HydrophobicContact CD1-CD2 3.93Å; F163-L166 HydrophobicContact CE1-CD2 3.95Å; F163-L166 WeakPolarHBondContact O-CB 3.31Å; F163-L166 PolarHBondContact O-N 3.48Å; F163-L166 VanDerWaalsContact O-N 3.12Å; F163-I167 WeakPolarHBondContact O-CG2 3.45Å; F163-I167 PolarHBondContact O-N 2.91Å |
| 164 | G | 81.4 | Confident | 77.1 | Confident | 1 Ų | 1 | 85.5 Ų | 85.5 | 1% | 0.01 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -52.6 | -57.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L160 L166 I167 M168 | L160-G164 PolarHBondContact O-N 3.35Å; G164-L166 VanDerWaalsContact C-N 3.32Å; G164-L166 PolarHBondContact O-N 3.21Å; G164-I167 WeakPolarHBondContact O-CG2 3.29Å; G164-M168 VanDerWaalsContact O-CB 3.26Å; G164-M168 WeakPolarHBondContact O-CB 3.35Å; G164-M168 PolarHBondContact O-N 3.45Å |
| 165 | P | 84.4 | Confident | 78.5 | Confident | 79 Ų | 79 | 82.6 Ų | 82.6 | 51% | 0.513 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.5 | -37.1 | 172.8 | -27.3 | 35.9 | 0 | 0 | 0 | 114.2 | K161 V162 G169 | K161-P165 WeakPolarHBondContact O-CD 3.35Å; V162-P165 WeakPolarHBondContact O-CD 3.37Å; P165-G169 PolarHBondContact O-N 3.01Å |
| 166 | L | 86.4 | Confident | 79.9 | Confident | 95 Ų | 95 | 86.1 Ų | 86.1 | 50% | 0.497 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.8 | -50.6 | 179.8 | -177.9 | 64.8 | 0 | 0 | 0 | 112.1 | V162 F163 G164 M168 G169 I170 | V162-L166 WeakPolarHBondContact O-CB 3.31Å; V162-L166 PolarHBondContact O-N 2.87Å; F163-L166 HydrophobicContact CD1-CD2 3.93Å; F163-L166 HydrophobicContact CE1-CD2 3.95Å; F163-L166 WeakPolarHBondContact O-CB 3.31Å; F163-L166 PolarHBondContact O-N 3.48Å; F163-L166 VanDerWaalsContact O-N 3.12Å; G164-L166 VanDerWaalsContact C-N 3.32Å; G164-L166 PolarHBondContact O-N 3.21Å; L166-M168 VanDerWaalsContact C-N 3.32Å; L166-M168 PolarHBondContact O-N 3.44Å; L166-G169 PolarHBondContact O-N 2.9Å; L166-I170 HydrophobicContact CD1-CD1 4.45Å; L166-I170 HydrophobicContact CG-CD1 4.22Å; L166-I170 WeakPolarHBondContact O-CG1 3.32Å; L166-I170 PolarHBondContact O-N 3.27Å |
| 167 | I | 86.4 | Confident | 81.2 | Confident | 53 Ų | 53 | 79 Ų | 79 | 27% | 0.272 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.7 | -31.9 | 179.3 | -167.9 | 62.6 | 0 | 0 | 0 | 111.5 | V63 G67 F163 G164 I170 G171 | V63-I167 HydrophobicContact CG1-CD1 3.73Å; V63-I167 HydrophobicContact CG1-CG1 4.03Å; G67-I167 VanDerWaalsContact CA-CG2 3.48Å; F163-I167 WeakPolarHBondContact O-CG2 3.45Å; F163-I167 PolarHBondContact O-N 2.91Å; G164-I167 WeakPolarHBondContact O-CG2 3.29Å; I167-I170 PolarHBondContact O-N 3.01Å; I167-G171 PolarHBondContact O-N 2.76Å |
| 168 | M | 88.7 | Confident | 82.4 | Confident | 58 Ų | 58 | 76.5 Ų | 76.5 | 29% | 0.286 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 170.1 | -174.9 | -168.4 | -60.3 | 0 | 0 | 111.2 | L64 A71 G164 L166 I170 G171 I172 | L64-M168 HydrophobicContact CD1-CG 4.23Å; A71-M168 HydrophobicContact CB-CE 3.64Å; G164-M168 VanDerWaalsContact O-CB 3.26Å; G164-M168 WeakPolarHBondContact O-CB 3.35Å; G164-M168 PolarHBondContact O-N 3.45Å; L166-M168 VanDerWaalsContact C-N 3.32Å; L166-M168 PolarHBondContact O-N 3.44Å; M168-I170 VanDerWaalsContact C-N 3.35Å; M168-I170 PolarHBondContact O-N 3.49Å; M168-G171 PolarHBondContact O-N 3.19Å; M168-I172 HydrophobicContact CG-CD1 3.94Å; M168-I172 VanDerWaalsContact O-CG1 3.31Å; M168-I172 WeakPolarHBondContact O-CG1 3.5Å; M168-I172 PolarHBondContact O-N 3.1Å |
| 169 | G | 89.4 | Confident | 83.4 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P165 L166 I172 F173 | P165-G169 PolarHBondContact O-N 3.01Å; L166-G169 PolarHBondContact O-N 2.9Å; G169-I172 PolarHBondContact O-N 2.92Å; G169-F173 WeakPolarHBondContact O-CB 3.29Å; G169-F173 PolarHBondContact O-N 3.01Å |
| 170 | I | 89.6 | Confident | 84.5 | Confident | 76 Ų | 76 | 67 Ų | 67 | 39% | 0.39 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 174.4 | -66.9 | 164.3 | 0 | 0 | 0 | 111 | L166 I167 M168 F173 L174 | L166-I170 HydrophobicContact CD1-CD1 4.45Å; L166-I170 HydrophobicContact CG-CD1 4.22Å; L166-I170 WeakPolarHBondContact O-CG1 3.32Å; L166-I170 PolarHBondContact O-N 3.27Å; I167-I170 PolarHBondContact O-N 3.01Å; M168-I170 VanDerWaalsContact C-N 3.35Å; M168-I170 PolarHBondContact O-N 3.49Å; I170-F173 PolarHBondContact O-N 3.39Å; I170-L174 HydrophobicContact CG2-CD1 3.99Å; I170-L174 HydrophobicContact CG2-CG 4.42Å; I170-L174 WeakPolarHBondContact O-CB 3.24Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.27Å; I170-L174 PolarHBondContact O-N 3.3Å |
| 171 | G | 90.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I167 M168 L174 F175 | I167-G171 PolarHBondContact O-N 2.76Å; M168-G171 PolarHBondContact O-N 3.19Å; G171-L174 PolarHBondContact O-N 2.88Å; G171-F175 VanDerWaalsContact O-CB 3.29Å; G171-F175 WeakPolarHBondContact O-CB 3.5Å; G171-F175 PolarHBondContact O-N 2.94Å |
| 172 | I | 90.8 | Very high | 85.5 | Confident | 72 Ų | 72 | 61 Ų | 61 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 175.4 | -67.3 | 169.9 | 0 | 0 | 0 | 110.7 | L64 M168 G169 F175 I176 | L64-I172 HydrophobicContact CD1-CG1 3.84Å; M168-I172 HydrophobicContact CG-CD1 3.94Å; M168-I172 VanDerWaalsContact O-CG1 3.31Å; M168-I172 WeakPolarHBondContact O-CG1 3.5Å; M168-I172 PolarHBondContact O-N 3.1Å; G169-I172 PolarHBondContact O-N 2.92Å; I172-F175 PolarHBondContact O-N 3.41Å; I172-I176 HydrophobicContact CG2-CD1 3.65Å; I172-I176 HydrophobicContact CG2-CG1 4.33Å; I172-I176 WeakPolarHBondContact O-CG1 3.39Å; I172-I176 PolarHBondContact O-N 3.44Å |
| 173 | F | 92.7 | Very high | 85.1 | Confident | 141 Ų | 141 | 62.1 Ų | 62.1 | 62% | 0.618 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59 | -48.4 | 177.1 | 175.1 | -100.6 | 0 | 0 | 0 | 111.8 | G169 I170 F175 I176 C177 | G169-F173 WeakPolarHBondContact O-CB 3.29Å; G169-F173 PolarHBondContact O-N 3.01Å; I170-F173 PolarHBondContact O-N 3.39Å; F173-F175 PolarHBondContact O-N 2.83Å; F173-I176 PolarHBondContact O-N 2.84Å; F173-C177 WeakPolarHBondContact O-CB 3.12Å; F173-C177 PolarHBondContact O-N 3.45Å |
| 174 | L | 89.4 | Confident | 84.9 | Confident | 63 Ų | 63 | 63.7 Ų | 63.7 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 176.5 | -70.9 | 174.5 | 0 | 0 | 0 | 111.9 | I170 G171 A178 | I170-L174 HydrophobicContact CG2-CD1 3.99Å; I170-L174 HydrophobicContact CG2-CG 4.42Å; I170-L174 WeakPolarHBondContact O-CB 3.24Å; I170-L174 VanDerWaalsContact O-CG 3.31Å; I170-L174 WeakPolarHBondContact O-CG 3.27Å; I170-L174 PolarHBondContact O-N 3.3Å; G171-L174 PolarHBondContact O-N 2.88Å; L174-A178 WeakPolarHBondContact O-CB 3.2Å; L174-A178 PolarHBondContact O-N 3.34Å |
| 175 | F | 86.8 | Confident | 84 | Confident | 68 Ų | 68 | 66.7 Ų | 66.7 | 30% | 0.298 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 177.5 | 178.9 | -115.2 | 0 | 0 | 0 | 112.4 | I61 G171 I172 F173 N179 | I61-F175 HydrophobicContact CD1-CD2 4.42Å; I61-F175 HydrophobicContact CD1-CE2 4.01Å; I61-F175 HydrophobicContact CG1-CD2 3.79Å; I61-F175 HydrophobicContact CG1-CE2 3.77Å; G171-F175 VanDerWaalsContact O-CB 3.29Å; G171-F175 WeakPolarHBondContact O-CB 3.5Å; G171-F175 PolarHBondContact O-N 2.94Å; I172-F175 PolarHBondContact O-N 3.41Å; F173-F175 PolarHBondContact O-N 2.83Å; F175-N179 VanDerWaalsContact CE1-ND2 3.27Å; F175-N179 WeakPolarHBondContact CE1-ND2 3.31Å; F175-N179 WeakPolarHBondContact CE2-ND2 3.3Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.47Å; F175-N179 VanDerWaalsContact O-CB 3.3Å; F175-N179 WeakPolarHBondContact O-CB 3.18Å; F175-N179 PolarHBondContact O-N 3.28Å; F175-N179 PolarHBondContact O-ND2 2.89Å |
| 176 | I | 90.4 | Very high | 82.9 | Confident | 106 Ų | 106 | 69.1 Ų | 69.1 | 54% | 0.544 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 177.8 | -66.6 | 172.2 | 0 | 0 | 0 | 110.7 | I172 F173 N179 A180 | I172-I176 HydrophobicContact CG2-CD1 3.65Å; I172-I176 HydrophobicContact CG2-CG1 4.33Å; I172-I176 WeakPolarHBondContact O-CG1 3.39Å; I172-I176 PolarHBondContact O-N 3.44Å; F173-I176 PolarHBondContact O-N 2.84Å; I176-N179 PolarHBondContact O-N 2.89Å; I176-A180 PolarHBondContact O-N 3.48Å |
| 177 | C | 86.7 | Confident | 81.4 | Confident | 65 Ų | 65 | 68 Ų | 68 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 177.2 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | F173 A180 V181 | F173-C177 WeakPolarHBondContact O-CB 3.12Å; F173-C177 PolarHBondContact O-N 3.45Å; C177-A180 PolarHBondContact O-N 3.28Å; C177-V181 PolarHBondContact O-N 2.91Å |
| 178 | A | 85 | Confident | 80 | Confident | 6 Ų | 6 | 70.4 Ų | 70.4 | 5% | 0.05 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.1 | -48.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V56 A57 L174 A180 V181 L182 | V56-A178 HydrophobicContact CB-CB 4.39Å; V56-A178 HydrophobicContact CG1-CB 3.97Å; A57-A178 HydrophobicContact CB-CB 4.13Å; L174-A178 WeakPolarHBondContact O-CB 3.2Å; L174-A178 PolarHBondContact O-N 3.34Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A178-A180 PolarHBondContact O-N 3.29Å; A178-V181 PolarHBondContact O-N 3.41Å; A178-L182 WeakPolarHBondContact O-CB 3.33Å; A178-L182 PolarHBondContact O-N 2.8Å |
| 179 | N | 83.8 | Confident | 78.3 | Confident | 45 Ų | 45 | 74 Ų | 74 | 24% | 0.241 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 179.6 | -76.9 | -33.4 | 0 | 0 | 0 | 112.5 | F175 I176 L182 H183 | F175-N179 VanDerWaalsContact CE1-ND2 3.27Å; F175-N179 WeakPolarHBondContact CE1-ND2 3.31Å; F175-N179 WeakPolarHBondContact CE2-ND2 3.3Å; F175-N179 WeakPolarHBondContact CZ-ND2 3.47Å; F175-N179 VanDerWaalsContact O-CB 3.3Å; F175-N179 WeakPolarHBondContact O-CB 3.18Å; F175-N179 PolarHBondContact O-N 3.28Å; F175-N179 PolarHBondContact O-ND2 2.89Å; I176-N179 PolarHBondContact O-N 2.89Å; N179-L182 PolarHBondContact O-N 3.06Å; N179-H183 VanDerWaalsContact O-CB 3.29Å; N179-H183 WeakPolarHBondContact O-CB 3.29Å; N179-H183 PolarHBondContact O-CD2 3.04Å; N179-H183 PolarHBondContact O-N 2.84Å |
| 180 | A | 84.8 | Confident | 76.4 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 51% | 0.512 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.6 | -51.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I176 C177 A178 L182 H183 E184 | I176-A180 PolarHBondContact O-N 3.48Å; C177-A180 PolarHBondContact O-N 3.28Å; A178-A180 VanDerWaalsContact C-N 3.34Å; A178-A180 PolarHBondContact O-N 3.29Å; A180-L182 VanDerWaalsContact C-N 3.34Å; A180-L182 PolarHBondContact O-N 2.89Å; A180-H183 PolarHBondContact O-N 3.44Å; A180-E184 WeakPolarHBondContact O-CB 3.47Å; A180-E184 PolarHBondContact O-N 3.14Å |
| 181 | V | 81.3 | Confident | 74.4 | Confident | 65 Ų | 65 | 77.9 Ų | 77.9 | 39% | 0.394 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.7 | -33.4 | 178.4 | 176.5 | 0 | 0 | 0 | 0 | 112.5 | C177 A178 N185 | C177-V181 PolarHBondContact O-N 2.91Å; A178-V181 PolarHBondContact O-N 3.41Å; V181-N185 WeakPolarHBondContact O-CB 3.46Å; V181-N185 PolarHBondContact O-N 3.21Å; V181-N185 PolarHBondContact O-ND2 2.91Å; V181-N185 VanDerWaalsContact O-ND2 3.14Å |
| 182 | L | 74.6 | Confident | 72.5 | Confident | 21 Ų | 21 | 82.4 Ų | 82.4 | 11% | 0.11 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -74 | -39.4 | 179.2 | -150.3 | 166.5 | 0 | 0 | 0 | 110.8 | S53 A57 A178 N179 A180 N185 R186 | S53-L182 VanDerWaalsContact OG-CA 3.29Å; S53-L182 WeakPolarHBondContact OG-CA 3.12Å; S53-L182 WeakPolarHBondContact OG-CB 3.18Å; S53-L182 VanDerWaalsContact OG-CG 3.3Å; S53-L182 WeakPolarHBondContact OG-CG 3.35Å; S53-L182 PolarHBondContact OG-N 3.21Å; A57-L182 HydrophobicContact CB-CD1 3.81Å; A178-L182 WeakPolarHBondContact O-CB 3.33Å; A178-L182 PolarHBondContact O-N 2.8Å; N179-L182 PolarHBondContact O-N 3.06Å; A180-L182 VanDerWaalsContact C-N 3.34Å; A180-L182 PolarHBondContact O-N 2.89Å; L182-N185 PolarHBondContact O-N 2.86Å; L182-R186 HydrophobicContact CD2-CG 3.93Å; L182-R186 WeakPolarHBondContact O-CB 3.29Å; L182-R186 WeakPolarHBondContact O-CG 3.3Å; L182-R186 PolarHBondContact O-N 3.32Å |
| 183 | H | 67.8 | Low | 70.8 | Confident | 119 Ų | 119 | 84.7 Ų | 84.7 | 55% | 0.551 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -66 | -46.6 | 171.7 | -83.6 | -115.5 | 0 | 0 | 0 | 110.7 | N179 A180 N185 R186 D187 | N179-H183 VanDerWaalsContact O-CB 3.29Å; N179-H183 WeakPolarHBondContact O-CB 3.29Å; N179-H183 PolarHBondContact O-CD2 3.04Å; N179-H183 PolarHBondContact O-N 2.84Å; A180-H183 PolarHBondContact O-N 3.44Å; H183-N185 PolarHBondContact O-N 3.24Å; H183-R186 PolarHBondContact O-N 3.35Å; H183-R186 VanDerWaalsContact O-N 3.1Å; H183-D187 VanDerWaalsContact O-CB 3.25Å; H183-D187 WeakPolarHBondContact O-CB 3.45Å; H183-D187 PolarHBondContact O-N 3.45Å |
| 184 | E | 71.8 | Confident | 69.1 | Low | 103 Ų | 103 | 82.4 Ų | 82.4 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -54 | -39.7 | 174 | -162.1 | -137.9 | 154.8 | 0 | 0 | 112.2 | A180 K188 | A180-E184 WeakPolarHBondContact O-CB 3.47Å; A180-E184 PolarHBondContact O-N 3.14Å; E184-K188 VanDerWaalsContact CD-NZ 3.33Å; E184-K188 WeakPolarHBondContact O-CD 3.22Å; E184-K188 WeakPolarHBondContact O-CE 3.47Å; E184-K188 WeakPolarHBondContact O-CG 3.45Å; E184-K188 PolarHBondContact O-N 3.1Å; E184-K188 VanDerWaalsContact OE1-CE 3.22Å; E184-K188 WeakPolarHBondContact OE1-CE 3.43Å; E184-K188 IonicContact OE1-NZ 3.24Å; E184-K188 PolarHBondContact OE1-NZ 2.91Å; E184-K188 IonicContact OE2-NZ 2.9Å |
| 185 | N | 64.2 | Low | 67.9 | Low | 63 Ų | 63 | 83.8 Ų | 83.8 | 34% | 0.337 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -80 | -27.7 | 176.7 | -90.7 | -75.7 | 0 | 0 | 0 | 115.4 | V181 L182 H183 | V181-N185 WeakPolarHBondContact O-CB 3.46Å; V181-N185 PolarHBondContact O-N 3.21Å; V181-N185 PolarHBondContact O-ND2 2.91Å; V181-N185 VanDerWaalsContact O-ND2 3.14Å; L182-N185 PolarHBondContact O-N 2.86Å; H183-N185 PolarHBondContact O-N 3.24Å |
| 186 | R | 61.5 | Low | 66.6 | Low | 131 Ų | 131 | 89.6 Ų | 89.6 | 49% | 0.494 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.4 | -41.2 | 172.3 | -85 | 178.9 | 170.9 | 154.5 | 1.2 | 110.8 | L182 H183 K188 K189 T190 | L182-R186 HydrophobicContact CD2-CG 3.93Å; L182-R186 WeakPolarHBondContact O-CB 3.29Å; L182-R186 WeakPolarHBondContact O-CG 3.3Å; L182-R186 PolarHBondContact O-N 3.32Å; H183-R186 PolarHBondContact O-N 3.35Å; H183-R186 VanDerWaalsContact O-N 3.1Å; R186-K188 VanDerWaalsContact C-N 3.29Å; R186-K188 PolarHBondContact O-N 3.04Å; R186-K189 WeakPolarHBondContact O-CA 3.18Å; R186-K189 WeakPolarHBondContact O-CB 3.16Å; R186-K189 PolarHBondContact O-N 3.22Å; R186-T190 PolarHBondContact O-N 2.92Å; R186-T190 PolarHBondContact O-OG1 2.92Å |
| 187 | D | 53.4 | Low | 65 | Low | 72 Ų | 72 | 86.7 Ų | 86.7 | 39% | 0.385 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | -178.4 | -150.4 | 18.4 | 0 | 0 | 0 | 111.1 | H183 K189 T190 K191 | H183-D187 VanDerWaalsContact O-CB 3.25Å; H183-D187 WeakPolarHBondContact O-CB 3.45Å; H183-D187 PolarHBondContact O-N 3.45Å; D187-K189 PolarHBondContact O-N 3.42Å; D187-T190 PolarHBondContact O-N 3.36Å; D187-K191 WeakPolarHBondContact O-CB 3.32Å; D187-K191 WeakPolarHBondContact O-CD 3.45Å; D187-K191 WeakPolarHBondContact O-CG 3.39Å; D187-K191 PolarHBondContact O-N 3.36Å; D187-K191 WeakPolarHBondContact OD1-CE 3.25Å; D187-K191 IonicContact OD1-NZ 2.76Å; D187-K191 WeakPolarHBondContact OD2-CE 3.22Å; D187-K191 IonicContact OD2-NZ 3.05Å; D187-K191 PolarHBondContact OD2-NZ 3.24Å |
| 188 | K | 56.6 | Low | 64.1 | Low | 102 Ų | 102 | 87.7 Ų | 87.7 | 44% | 0.443 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -56.1 | -34.5 | 170.2 | -69.4 | 166.2 | -166.2 | 175.5 | 0 | 113.2 | E184 R186 V192 | E184-K188 VanDerWaalsContact CD-NZ 3.33Å; E184-K188 WeakPolarHBondContact O-CD 3.22Å; E184-K188 WeakPolarHBondContact O-CE 3.47Å; E184-K188 WeakPolarHBondContact O-CG 3.45Å; E184-K188 PolarHBondContact O-N 3.1Å; E184-K188 VanDerWaalsContact OE1-CE 3.22Å; E184-K188 WeakPolarHBondContact OE1-CE 3.43Å; E184-K188 IonicContact OE1-NZ 3.24Å; E184-K188 PolarHBondContact OE1-NZ 2.91Å; E184-K188 IonicContact OE2-NZ 2.9Å; R186-K188 VanDerWaalsContact C-N 3.29Å; R186-K188 PolarHBondContact O-N 3.04Å; K188-V192 WeakPolarHBondContact O-CB 3.1Å; K188-V192 WeakPolarHBondContact O-CG2 3.47Å; K188-V192 PolarHBondContact O-N 3.21Å |
| 189 | K | 53.8 | Low | 62.7 | Low | 134 Ų | 134 | 94.6 Ų | 94.6 | 58% | 0.583 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -82.7 | -39.3 | -179.9 | -67.5 | 170.3 | -176.2 | 169.4 | 0 | 112 | R186 D187 V192 I193 | R186-K189 WeakPolarHBondContact O-CA 3.18Å; R186-K189 WeakPolarHBondContact O-CB 3.16Å; R186-K189 PolarHBondContact O-N 3.22Å; D187-K189 PolarHBondContact O-N 3.42Å; K189-V192 PolarHBondContact O-N 3.36Å; K189-I193 PolarHBondContact O-N 3.3Å |
| 190 | T | 50.1 | Low | 61.6 | Low | 91 Ų | 91 | 95 Ų | 95 | 56% | 0.558 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.2 | -42.1 | 174.3 | -46 | 0 | 0 | 0 | 0 | 111.4 | R186 D187 V192 I193 N194 | R186-T190 PolarHBondContact O-N 2.92Å; R186-T190 PolarHBondContact O-OG1 2.92Å; D187-T190 PolarHBondContact O-N 3.36Å; T190-V192 PolarHBondContact O-N 3Å; T190-I193 PolarHBondContact O-N 3.46Å; T190-N194 PolarHBondContact O-N 2.96Å |
| 191 | K | 47 | Very low | 60.7 | Low | 106 Ų | 106 | 96.2 Ų | 96.2 | 46% | 0.461 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 175.1 | -72.2 | 167.4 | 174 | 171.3 | 0 | 112.3 | D187 I193 N194 L195 | D187-K191 WeakPolarHBondContact O-CB 3.32Å; D187-K191 WeakPolarHBondContact O-CD 3.45Å; D187-K191 WeakPolarHBondContact O-CG 3.39Å; D187-K191 PolarHBondContact O-N 3.36Å; D187-K191 WeakPolarHBondContact OD1-CE 3.25Å; D187-K191 IonicContact OD1-NZ 2.76Å; D187-K191 WeakPolarHBondContact OD2-CE 3.22Å; D187-K191 IonicContact OD2-NZ 3.05Å; D187-K191 PolarHBondContact OD2-NZ 3.24Å; K191-I193 VanDerWaalsContact C-N 3.34Å; K191-I193 PolarHBondContact O-N 2.8Å; K191-N194 PolarHBondContact O-N 3.46Å; K191-L195 VanDerWaalsContact O-CB 3.25Å; K191-L195 WeakPolarHBondContact O-CB 3.25Å; K191-L195 VanDerWaalsContact O-CG 3.26Å; K191-L195 WeakPolarHBondContact O-CG 3.36Å; K191-L195 PolarHBondContact O-N 3.22Å |
| 192 | V | 49.8 | Very low | 59.6 | Low | 96 Ų | 96 | 96.4 Ų | 96.4 | 58% | 0.582 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63 | -37.7 | 173.9 | 160.1 | 0 | 0 | 0 | 0 | 112.5 | K188 K189 T190 R196 | K188-V192 WeakPolarHBondContact O-CB 3.1Å; K188-V192 WeakPolarHBondContact O-CG2 3.47Å; K188-V192 PolarHBondContact O-N 3.21Å; K189-V192 PolarHBondContact O-N 3.36Å; T190-V192 PolarHBondContact O-N 3Å; V192-R196 WeakPolarHBondContact O-CB 3.12Å; V192-R196 PolarHBondContact O-N 3.02Å; V192-R196 VanDerWaalsContact O-N 3.14Å |
| 193 | I | 54.6 | Low | 59.1 | Low | 120 Ų | 120 | 100.9 Ų | 100.9 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.4 | -49 | 174.6 | -63 | 172.4 | 0 | 0 | 0 | 109.9 | K189 T190 K191 R196 D197 | K189-I193 PolarHBondContact O-N 3.3Å; T190-I193 PolarHBondContact O-N 3.46Å; K191-I193 VanDerWaalsContact C-N 3.34Å; K191-I193 PolarHBondContact O-N 2.8Å; I193-R196 PolarHBondContact O-N 3.49Å; I193-D197 WeakPolarHBondContact O-CB 3.18Å; I193-D197 PolarHBondContact O-N 3.34Å |
| 194 | N | 58.3 | Low | 58.6 | Low | 93 Ų | 93 | 100.7 Ų | 100.7 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | -178.4 | -168.5 | 15.8 | 0 | 0 | 0 | 113.1 | T190 K191 R196 D197 I198 | T190-N194 PolarHBondContact O-N 2.96Å; K191-N194 PolarHBondContact O-N 3.46Å; N194-R196 PolarHBondContact O-N 2.69Å; N194-D197 WeakPolarHBondContact O-CA 3.29Å; N194-D197 VanDerWaalsContact O-CB 3.24Å; N194-D197 WeakPolarHBondContact O-CB 3.33Å; N194-D197 PolarHBondContact O-N 3.31Å; N194-I198 WeakPolarHBondContact O-CG1 3.29Å; N194-I198 PolarHBondContact O-N 2.92Å |
| 195 | L | 63.6 | Low | 58.3 | Low | 92 Ų | 92 | 102 Ų | 102 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -43.8 | 176.1 | -72.6 | 167.6 | 0 | 0 | 0 | 111.3 | K191 D197 I198 Y199 | K191-L195 VanDerWaalsContact O-CB 3.25Å; K191-L195 WeakPolarHBondContact O-CB 3.25Å; K191-L195 VanDerWaalsContact O-CG 3.26Å; K191-L195 WeakPolarHBondContact O-CG 3.36Å; K191-L195 PolarHBondContact O-N 3.22Å; L195-D197 PolarHBondContact O-N 3.49Å; L195-I198 PolarHBondContact O-N 2.82Å; L195-Y199 HydrophobicContact CD2-CE2 4.25Å; L195-Y199 VanDerWaalsContact O-CD2 3.29Å; L195-Y199 WeakPolarHBondContact O-CD2 3.26Å; L195-Y199 PolarHBondContact O-N 2.64Å |
| 196 | R | 60.5 | Low | 57.9 | Low | 190 Ų | 190 | 105.1 Ų | 105.1 | 72% | 0.717 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -33.1 | 174.3 | -170.4 | 177.5 | -172.1 | -175.2 | 5 | 111.2 | V192 I193 N194 S200 | V192-R196 WeakPolarHBondContact O-CB 3.12Å; V192-R196 PolarHBondContact O-N 3.02Å; V192-R196 VanDerWaalsContact O-N 3.14Å; I193-R196 PolarHBondContact O-N 3.49Å; N194-R196 PolarHBondContact O-N 2.69Å; R196-S200 WeakPolarHBondContact O-CB 3.44Å; R196-S200 PolarHBondContact O-N 3.5Å; R196-S200 PolarHBondContact O-OG 3.14Å |
| 197 | D | 57 | Low | 57.4 | Low | 45 Ų | 45 | 102.4 Ų | 102.4 | 24% | 0.241 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -68.1 | -52.2 | 177.4 | -141.4 | -13.3 | 0 | 0 | 0 | 112.5 | R36 I193 N194 L195 S200 T201 | R36-D197 IonicContact CZ-OD1 3.85Å; R36-D197 IonicContact CZ-OD2 3.19Å; R36-D197 IonicContact NH1-OD1 2.61Å; R36-D197 PolarHBondContact NH1-OD1 2.61Å; R36-D197 IonicContact NH1-OD2 3.31Å; R36-D197 PolarHBondContact NH1-OD2 3.37Å; R36-D197 VanDerWaalsContact NH2-CG 3.35Å; R36-D197 IonicContact NH2-OD1 3.81Å; R36-D197 PolarHBondContact NH2-OD1 2.6Å; R36-D197 IonicContact NH2-OD2 2.67Å; I193-D197 WeakPolarHBondContact O-CB 3.18Å; I193-D197 PolarHBondContact O-N 3.34Å; N194-D197 WeakPolarHBondContact O-CA 3.29Å; N194-D197 VanDerWaalsContact O-CB 3.24Å; N194-D197 WeakPolarHBondContact O-CB 3.33Å; N194-D197 PolarHBondContact O-N 3.31Å; L195-D197 PolarHBondContact O-N 3.49Å; D197-S200 PolarHBondContact O-N 3.35Å; D197-T201 WeakPolarHBondContact O-CB 3.24Å; D197-T201 PolarHBondContact O-N 3.47Å; D197-T201 PolarHBondContact O-OG1 2.98Å |
| 198 | I | 66.6 | Low | 57.3 | Low | 85 Ų | 85 | 105 Ų | 105 | 44% | 0.436 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -58.9 | -53 | 178.8 | -66.7 | 164.9 | 0 | 0 | 0 | 110 | N194 L195 S200 T201 V202 | N194-I198 WeakPolarHBondContact O-CG1 3.29Å; N194-I198 PolarHBondContact O-N 2.92Å; L195-I198 PolarHBondContact O-N 2.82Å; I198-S200 PolarHBondContact O-N 3.32Å; I198-T201 PolarHBondContact O-N 3.43Å; I198-V202 WeakPolarHBondContact O-CG2 3.41Å; I198-V202 PolarHBondContact O-N 2.8Å |
| 199 | Y | 55.8 | Low | 57 | Low | 152 Ų | 152 | 110 Ų | 110 | 60% | 0.596 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.6 | -34.7 | 179.9 | -75.5 | -69.8 | 0 | 0 | 0 | 113 | L195 I203 | L195-Y199 HydrophobicContact CD2-CE2 4.25Å; L195-Y199 VanDerWaalsContact O-CD2 3.29Å; L195-Y199 WeakPolarHBondContact O-CD2 3.26Å; L195-Y199 PolarHBondContact O-N 2.64Å; Y199-I203 VanDerWaalsContact O-CB 3.28Å; Y199-I203 WeakPolarHBondContact O-CB 3.35Å; Y199-I203 WeakPolarHBondContact O-CD1 3.15Å; Y199-I203 WeakPolarHBondContact O-CG1 3.37Å; Y199-I203 PolarHBondContact O-N 2.85Å |
| 200 | S | 61.1 | Low | 56.2 | Low | 53 Ų | 53 | 111.8 Ų | 111.8 | 37% | 0.371 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.7 | -41.8 | 173.5 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | R196 D197 I198 I203 D204 | R196-S200 WeakPolarHBondContact O-CB 3.44Å; R196-S200 PolarHBondContact O-N 3.5Å; R196-S200 PolarHBondContact O-OG 3.14Å; D197-S200 PolarHBondContact O-N 3.35Å; I198-S200 PolarHBondContact O-N 3.32Å; S200-I203 PolarHBondContact O-N 2.77Å; S200-D204 VanDerWaalsContact O-CB 3.29Å; S200-D204 WeakPolarHBondContact O-CB 3.28Å; S200-D204 PolarHBondContact O-N 3.05Å |
| 201 | T | 65.2 | Low | 55.7 | Low | 87 Ų | 87 | 113 Ų | 113 | 53% | 0.534 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.1 | -44 | 179.8 | -57 | 0 | 0 | 0 | 0 | 111.2 | D197 I198 L205 | D197-T201 WeakPolarHBondContact O-CB 3.24Å; D197-T201 PolarHBondContact O-N 3.47Å; D197-T201 PolarHBondContact O-OG1 2.98Å; I198-T201 PolarHBondContact O-N 3.43Å; T201-L205 WeakPolarHBondContact O-CB 3.39Å; T201-L205 PolarHBondContact O-N 2.92Å |
| 202 | V | 59.7 | Low | 55.1 | Low | 70 Ų | 70 | 115.8 Ų | 115.8 | 42% | 0.424 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.4 | -43 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | I198 L205 H206 | I198-V202 WeakPolarHBondContact O-CG2 3.41Å; I198-V202 PolarHBondContact O-N 2.8Å; V202-L205 PolarHBondContact O-N 3.32Å; V202-H206 PolarHBondContact O-CD2 2.61Å; V202-H206 PolarHBondContact O-N 3.22Å |
| 203 | I | 62.7 | Low | 55.2 | Low | 114 Ų | 114 | 117.4 Ų | 117.4 | 59% | 0.585 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.1 | -39.4 | 179.1 | -69.4 | 166.6 | 0 | 0 | 0 | 111.7 | Y199 S200 L205 H206 S207 | Y199-I203 VanDerWaalsContact O-CB 3.28Å; Y199-I203 WeakPolarHBondContact O-CB 3.35Å; Y199-I203 WeakPolarHBondContact O-CD1 3.15Å; Y199-I203 WeakPolarHBondContact O-CG1 3.37Å; Y199-I203 PolarHBondContact O-N 2.85Å; S200-I203 PolarHBondContact O-N 2.77Å; I203-L205 VanDerWaalsContact C-N 3.33Å; I203-H206 PolarHBondContact O-N 2.86Å; I203-S207 PolarHBondContact O-N 3.31Å |
| 204 | D | 57.1 | Low | 54.4 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 62% | 0.62 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.1 | -37.6 | 177 | -149.5 | 22.8 | 0 | 0 | 0 | 110.4 | S200 S207 V208 | S200-D204 VanDerWaalsContact O-CB 3.29Å; S200-D204 WeakPolarHBondContact O-CB 3.28Å; S200-D204 PolarHBondContact O-N 3.05Å; D204-S207 WeakPolarHBondContact O-CB 3.38Å; D204-S207 PolarHBondContact O-N 3.47Å; D204-S207 VanDerWaalsContact O-N 3.15Å; D204-S207 PolarHBondContact O-OG 2.93Å; D204-V208 PolarHBondContact O-N 3.37Å |
| 205 | L | 65.8 | Low | 53.4 | Low | 130 Ų | 130 | 116.5 Ų | 116.5 | 68% | 0.681 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.2 | -40.5 | 172.3 | -159.5 | 75.8 | 0 | 0 | 0 | 112.5 | T201 V202 I203 S207 V208 | T201-L205 WeakPolarHBondContact O-CB 3.39Å; T201-L205 PolarHBondContact O-N 2.92Å; V202-L205 PolarHBondContact O-N 3.32Å; I203-L205 VanDerWaalsContact C-N 3.33Å; L205-S207 VanDerWaalsContact C-N 3.31Å; L205-S207 PolarHBondContact O-N 3.3Å; L205-V208 PolarHBondContact O-N 2.94Å |
| 206 | H | 56 | Low | 52.4 | Low | 128 Ų | 128 | 118.3 Ų | 118.3 | 59% | 0.593 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -70.7 | -23.3 | 173.2 | -80.9 | -70.3 | 0 | 0 | 0 | 113.5 | V202 I203 V208 R209 | V202-H206 PolarHBondContact O-CD2 2.61Å; V202-H206 PolarHBondContact O-N 3.22Å; I203-H206 PolarHBondContact O-N 2.86Å; H206-V208 VanDerWaalsContact C-N 3.29Å; H206-V208 PolarHBondContact O-N 3.34Å; H206-R209 CarbonylContact O-C 3.56Å; H206-R209 PolarHBondContact O-N 3.42Å |
| 207 | S | 50.3 | Low | 51.4 | Low | 74 Ų | 74 | 112.8 Ų | 112.8 | 52% | 0.517 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -64.3 | -35.5 | 174.1 | 86.2 | 0 | 0 | 0 | 0 | 112 | I203 D204 L205 R209 | I203-S207 PolarHBondContact O-N 3.31Å; D204-S207 WeakPolarHBondContact O-CB 3.38Å; D204-S207 PolarHBondContact O-N 3.47Å; D204-S207 VanDerWaalsContact O-N 3.15Å; D204-S207 PolarHBondContact O-OG 2.93Å; L205-S207 VanDerWaalsContact C-N 3.31Å; L205-S207 PolarHBondContact O-N 3.3Å; S207-R209 PolarHBondContact O-N 3.25Å |
| 208 | V | 51.6 | Low | 50.4 | Low | 126 Ų | 126 | 117 Ų | 117 | 76% | 0.764 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -13.9 | 174.3 | -173.4 | 0 | 0 | 0 | 0 | 111.9 | D204 L205 H206 | D204-V208 PolarHBondContact O-N 3.37Å; L205-V208 PolarHBondContact O-N 2.94Å; H206-V208 VanDerWaalsContact C-N 3.29Å; H206-V208 PolarHBondContact O-N 3.34Å |
| 209 | R | 51.2 | Low | 49.3 | Very low | 208 Ų | 208 | 116.3 Ų | 116.3 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 30 | -177.8 | -153.7 | 70.4 | -174.8 | -171.3 | 2.5 | 113.8 | H206 S207 | H206-R209 CarbonylContact O-C 3.56Å; H206-R209 PolarHBondContact O-N 3.42Å; S207-R209 PolarHBondContact O-N 3.25Å |
| 210 | K | 35.7 | Very low | 48 | Very low | 172 Ų | 172 | 117.8 Ų | 117.8 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | -110.8 | 100.4 | 163.4 | -98.9 | -171.7 | 172.3 | -176 | 0 | 111.6 | H212 | K210-H212 PolarHBondContact O-N 3.49Š| ||
| 211 | P | 41 | Very low | 47.2 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | trans | -63.8 | 130.4 | 162.9 | -15.9 | 30.4 | 0 | 0 | 0 | 109.6 | ||||
| 212 | H | 32.8 | Very low | 45.9 | Very low | 165 Ų | 165 | 126 Ų | 126 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | trans | -77.2 | 126.4 | 160.8 | -79.1 | -101.7 | 0 | 0 | 0 | 108.3 | K210 S214 | K210-H212 PolarHBondContact O-N 3.49Å; H212-S214 VanDerWaalsContact C-N 3.26Å; H212-S214 PolarHBondContact O-N 3.45Å | ||
| 213 | P | 52.1 | Low | 45.5 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | -75.6 | 82.1 | 171.8 | 31.1 | -32.9 | 0 | 0 | 0 | 109 | ||||
| 214 | S | 37.7 | Very low | 44.3 | Very low | 87 Ų | 87 | 128.7 Ų | 128.7 | 61% | 0.608 | 75% | 0.746 | S | S | * | * | trans | -149.9 | 106.6 | -178.2 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | H212 | H212-S214 VanDerWaalsContact C-N 3.26Å; H212-S214 PolarHBondContact O-N 3.45Å | ||
| 215 | S | 37.8 | Very low | 43.5 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | 18.1 | 117.3 | 156.5 | 57.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 216 | S | 43.8 | Very low | 42.7 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | 39.2 | 116.8 | 134 | -51.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 217 | G | 37.9 | Very low | 42.1 | Very low | 74 Ų | 74 | 129.5 Ų | 129.5 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | trans | 164.6 | 95.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 218 | S | 37.3 | Very low | 41.9 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 92% | 0.923 | 78% | 0.777 | S | S | * | * | trans | 67.9 | 162.2 | 156.3 | -151.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 219 | A | 42.3 | Very low | 41.7 | Very low | 72 Ų | 72 | 130.2 Ų | 130.2 | 60% | 0.595 | 77% | 0.769 | S | S | * | * | trans | -84.4 | 149.6 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 220 | H | 29.7 | Very low | 41.6 | Very low | 183 Ų | 183 | 126.9 Ų | 126.9 | 85% | 0.847 | 77% | 0.766 | S | S | * | * | -176.2 | 127.6 | 104.9 | -92.9 | -71.6 | 0 | 0 | 0 | 110.1 | |||||
| 221 | Q | 43.7 | Very low | 42 | Very low | 191 Ų | 191 | 124.5 Ų | 124.5 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -75.9 | 144.9 | 166.4 | -77.6 | -178 | -23.1 | 0 | 0 | 110.5 | ||||
| 222 | P | 38.4 | Very low | 42.1 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | -121.2 | 126.6 | 135.3 | 0.7 | 20.1 | 0 | 0 | 0 | 111.3 | A224 | P222-A224 PolarHBondContact O-N 2.68Š| ||
| 223 | L | 49.8 | Very low | 42.7 | Very low | 151 Ų | 151 | 127.2 Ų | 127.2 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | -67.9 | 123.2 | 169.1 | 175.8 | 67.3 | 0 | 0 | 0 | 110 | ||||
| 224 | A | 37.8 | Very low | 42.2 | Very low | 89 Ų | 89 | 127 Ų | 127 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | -140.7 | 103.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P222 | P222-A224 PolarHBondContact O-N 2.68Š| ||
| 225 | N | 41 | Very low | 42.2 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 65% | 0.652 | 76% | 0.763 | S | S | * | * | trans | -72.1 | 131.3 | -175.3 | -70 | -38.5 | 0 | 0 | 0 | 112.2 | L227 | N225-L227 PolarHBondContact O-N 3.5Š| ||
| 226 | P | 47.8 | Very low | 42.1 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -78.9 | 5.2 | -178.4 | 32.9 | -36.7 | 0 | 0 | 0 | 114.5 | ||
| 227 | L | 45.3 | Very low | 42 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -80.8 | -18.5 | -168.9 | -95.5 | 161.8 | 0 | 0 | 0 | 115.5 | N225 G229 | N225-L227 PolarHBondContact O-N 3.5Å; L227-G229 VanDerWaalsContact C-N 3.3Å; L227-G229 PolarHBondContact O-N 3.15Å |
| 228 | N | 46.2 | Very low | 42 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 84% | 0.84 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -84.7 | 4.2 | -172 | -137.2 | 35.6 | 0 | 0 | 0 | 114.8 | ||
| 229 | G | 47 | Very low | 42.1 | Very low | 58 Ų | 58 | 135.7 Ų | 135.7 | 60% | 0.598 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -97.2 | -21.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | L227 | L227-G229 VanDerWaalsContact C-N 3.3Å; L227-G229 PolarHBondContact O-N 3.15Å |
| 230 | L | 48.1 | Very low | 41.5 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -87.6 | -32.7 | -164 | -169.3 | 61.2 | 0 | 0 | 0 | 114.3 | N232 Y233 | L230-N232 VanDerWaalsContact C-N 3.3Å; L230-N232 PolarHBondContact O-N 3.01Å; L230-Y233 PolarHBondContact O-N 3.39Å |
| 231 | I | 44.5 | Very low | 41.6 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -63.9 | -35.3 | -171.3 | -60.1 | 173.4 | 0 | 0 | 0 | 111.8 | Y233 | I231-Y233 VanDerWaalsContact C-N 3.26Å; I231-Y233 PolarHBondContact O-N 3.05Å |
| 232 | N | 43.6 | Very low | 40.9 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -77 | -4.6 | -171.2 | -134.6 | -21.6 | 0 | 0 | 0 | 114.7 | L230 | L230-N232 VanDerWaalsContact C-N 3.3Å; L230-N232 PolarHBondContact O-N 3.01Å |
| 233 | Y | 45.8 | Very low | 40.3 | Very low | 206 Ų | 206 | 135.2 Ų | 135.2 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -101.8 | -13.6 | -179.5 | -116.1 | -85.5 | 0 | 0 | 0 | 114.5 | L230 I231 | L230-Y233 PolarHBondContact O-N 3.39Å; I231-Y233 VanDerWaalsContact C-N 3.26Å; I231-Y233 PolarHBondContact O-N 3.05Å |
| 234 | V | 40.9 | Very low | 39.2 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -32.9 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 111 | S236 | V234-S236 VanDerWaalsContact C-N 3.31Å; V234-S236 PolarHBondContact O-N 3.21Å |
| 235 | Q | 37 | Very low | 38.5 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 4.6 | -172.8 | -152.3 | 175.9 | 5.6 | 0 | 0 | 114.9 | ||
| 236 | S | 36.9 | Very low | 38 | Very low | 84 Ų | 84 | 139 Ų | 139 | 59% | 0.587 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 24.7 | -174.4 | 69.7 | 0 | 0 | 0 | 0 | 114.8 | V234 | V234-S236 VanDerWaalsContact C-N 3.31Å; V234-S236 PolarHBondContact O-N 3.21Å |
| 237 | K | 41.2 | Very low | 37.8 | Very low | 204 Ų | 204 | 138.9 Ų | 138.9 | 89% | 0.887 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -143.5 | 63.2 | 166.4 | -75.5 | -163 | 176.5 | -173.8 | 0 | 111.9 | ||
| 238 | S | 37.3 | Very low | 37 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -127.1 | 158.7 | 160.8 | -162.2 | 0 | 0 | 0 | 0 | 110 | E240 | S238-E240 PolarHBondContact O-N 2.99Š|
| 239 | L | 40 | Very low | 36.2 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | -65.3 | 125.4 | -165.4 | -67.9 | 157.9 | 0 | 0 | 0 | 113.2 | ||||
| 240 | E | 30.4 | Very low | 35.7 | Very low | 179 Ų | 179 | 140.2 Ų | 140.2 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -97 | 69.7 | 155.9 | -173.3 | 58.4 | -104 | 0 | 0 | 108.7 | S238 | S238-E240 PolarHBondContact O-N 2.99Š| ||
| 241 | S | 31.5 | Very low | 35 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 55% | 0.545 | 77% | 0.768 | S | S | . | * | trans | -93.9 | 98.6 | 167.6 | 54.8 | 0 | 0 | 0 | 0 | 108.5 | S243 | S241-S243 PolarHBondContact O-N 3.47Š| ||
| 242 | K | 27.8 | Very low | 34.6 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -37.5 | 103.7 | -175.2 | -178.2 | -176 | 178.1 | 179.7 | 0 | 114.7 | ||||
| 243 | S | 26.3 | Very low | 33.9 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -137.8 | 97.7 | 163.8 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | S241 | S241-S243 PolarHBondContact O-N 3.47Š| ||
| 244 | Q | 26.4 | Very low | 33.1 | Very low | 166 Ų | 166 | 144 Ų | 144 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | -104.1 | 101.4 | -176.1 | 176.8 | -170.8 | -2.3 | 0 | 0 | 110.7 | ||||
| 245 | M | 23 | Very low | 32.6 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 80% | 0.803 | 79% | 0.79 | S | S | * | * | trans | -175.4 | 138.2 | 134.9 | -135.5 | 59.6 | 179.9 | 0 | 0 | 111.9 | ||||
| 246 | C | 31.7 | Very low | 32.9 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -103 | 158.2 | 156 | -51.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 247 | P | 43.2 | Very low | 32.6 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | -154 | 160.2 | 83.5 | 39.9 | -22 | 0 | 0 | 0 | 117.2 | |||||
| 248 | A | 29.2 | Very low | 32 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | 62.3 | 162.8 | 153 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 249 | T | 29.4 | Very low | 31.6 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | cis | -133.1 | 158.5 | 12.7 | 41.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 250 | L | 36.4 | Very low | 31.2 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -92.9 | 145.5 | 151 | -74.2 | 166.7 | 0 | 0 | 0 | 108.6 | ||||
| 251 | L | 32.4 | Very low | 31 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | 153.4 | 104.3 | 134.7 | -82.2 | 171.2 | 0 | 0 | 0 | 114 | ||||
| 252 | L | 35.8 | Very low | 30.9 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | 18.2 | 115.2 | 130.7 | -170.4 | 75.4 | 0 | 0 | 0 | 119.9 | ||||
| 253 | S | 28.5 | Very low | 31.2 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -164.5 | 144.2 | 141.1 | -143 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 254 | R | 29.2 | Very low | 31.5 | Very low | 237 Ų | 237 | 144.8 Ų | 144.8 | 89% | 0.894 | 80% | 0.798 | S | S | * | * | trans | 54.4 | 130.6 | 153.1 | -86.8 | 178.8 | 162.6 | 143.9 | -3.5 | 124.2 | ||||
| 255 | Q | 31.8 | Very low | 31.8 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -78.8 | -168.9 | 158.3 | -43.6 | 175.7 | -2.2 | 0 | 0 | 111.3 | ||||
| 256 | P | 42.2 | Very low | 32.2 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | cis | -132.3 | -164.8 | -7.5 | 29.7 | -4.6 | 0 | 0 | 0 | 114.7 | ||||
| 257 | A | 30.6 | Very low | 32.2 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -100.4 | 158.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 258 | S | 29 | Very low | 31.8 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -174.5 | 140.8 | 163.6 | 176 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 259 | S | 29.3 | Very low | 32 | Very low | 86 Ų | 86 | 133 Ų | 133 | 60% | 0.601 | 81% | 0.813 | S | S | * | * | cis | -161.2 | 167.6 | -15.1 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 260 | R | 31.1 | Very low | 32.2 | Very low | 232 Ų | 232 | 135.3 Ų | 135.3 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | trans | 85.6 | 137.5 | 167.8 | -52.3 | 176.2 | -162 | -151 | 2.9 | 116.9 | ||||
| 261 | R | 27.3 | Very low | 32 | Very low | 223 Ų | 223 | 133 Ų | 133 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | cis | -161.8 | 151.9 | -17.7 | 173.3 | 172.5 | -89.7 | -160.9 | -4.5 | 108.5 | ||||
| 262 | C | 29.1 | Very low | 31.9 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | trans | -2.2 | 149.6 | 155.7 | -52.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 263 | S | 33.5 | Very low | 31.5 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | cis | 178.4 | 172.9 | 5.7 | -102.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 264 | D | 32.4 | Very low | 31.6 | Very low | 150 Ų | 150 | 132.2 Ų | 132.2 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | cis | -155.5 | -177.2 | -3.5 | -133.8 | -73.3 | 0 | 0 | 0 | 111.7 | ||||
| 265 | G | 33.3 | Very low | 31.6 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 84.5 | 159.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 266 | G | 31.8 | Very low | 31.5 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | cis | 158.8 | 108.7 | 0.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 267 | G | 31.7 | Very low | 30.7 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | -101.8 | 172.4 | -161.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 268 | G | 33.4 | Very low | 30.5 | Very low | 84 Ų | 84 | 132.7 Ų | 132.7 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | 128.6 | 162.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 269 | G | 33 | Very low | 30.8 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | 115.1 | 101.7 | 168 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 270 | E | 34.2 | Very low | 31.2 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -86.9 | 163.9 | 174 | -63.2 | 176.3 | 88.2 | 0 | 0 | 112.9 | ||||
| 271 | V | 31.8 | Very low | 31.4 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 68% | 0.679 | 80% | 0.796 | S | S | * | * | trans | 66.9 | 106.6 | 136.1 | 164.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 272 | F | 30 | Very low | 32.3 | Very low | 190 Ų | 190 | 124 Ų | 124 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | 67.1 | 140.7 | 136.1 | -78.2 | -104.1 | 0 | 0 | 0 | 124.7 | ||||
| 273 | S | 27.8 | Very low | 33.4 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | 86.3 | 112.3 | 141.6 | -72.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 274 | V | 31.6 | Very low | 34.6 | Very low | 134 Ų | 134 | 125.5 Ų | 125.5 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | 55.8 | 111.1 | 128 | -174.6 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 275 | C | 27.9 | Very low | 34.3 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 90% | 0.899 | 80% | 0.803 | S | S | * | * | -160.1 | -174.6 | 121.9 | -131.1 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 276 | Q | 30.1 | Very low | 34.1 | Very low | 183 Ų | 183 | 126.3 Ų | 126.3 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | -124.1 | 175.9 | -165.3 | -177.1 | 168.8 | -10.4 | 0 | 0 | 112.9 | ||||
| 277 | E | 26.5 | Very low | 33.9 | Very low | 168 Ų | 168 | 127.6 Ų | 127.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 90.5 | 154.6 | -175.1 | -57.9 | -159.6 | 66.2 | 0 | 0 | 115 | ||||
| 278 | H | 25.8 | Very low | 33.7 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | cis | -139.3 | 176.5 | 3.6 | -160.6 | 80.2 | 0 | 0 | 0 | 111 | ||||
| 279 | L | 35.4 | Very low | 33.8 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | trans | -131.4 | 142.9 | -173.7 | -152.9 | 169.5 | 0 | 0 | 0 | 111.1 | ||||
| 280 | P | 38 | Very low | 33.5 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -118.8 | 137.5 | 165.5 | 34 | -22 | 0 | 0 | 0 | 114.4 | ||||
| 281 | A | 34.2 | Very low | 33.3 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -98.7 | 172.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 282 | P | 47.3 | Very low | 33.3 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | -152.5 | -167.9 | 105.5 | 39.3 | -20.5 | 0 | 0 | 0 | 113.5 | |||||
| 283 | P | 51.2 | Low | 33.6 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | -123.8 | 174.9 | -60.5 | 37.3 | -22.8 | 0 | 0 | 0 | 113.4 | |||||
| 284 | P | 58.9 | Low | 33.7 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -125.6 | 170.7 | -163.8 | 43 | -31.1 | 0 | 0 | 0 | 117.5 | ||||
| 285 | S | 27.1 | Very low | 33.5 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -174.1 | 149.8 | 152.9 | -87.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 286 | S | 28 | Very low | 33.5 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | cis | -154.5 | -178.3 | -1.9 | 53.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 287 | S | 28.1 | Very low | 33.6 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -24.2 | 139.4 | -174 | -75.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 288 | N | 28.1 | Very low | 34.4 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | cis | 92.7 | 146.3 | 30.1 | -155.9 | 14.2 | 0 | 0 | 0 | 115.3 | ||||
| 289 | R | 34.4 | Very low | 34.6 | Very low | 224 Ų | 224 | 132.2 Ų | 132.2 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -90 | 154.3 | -164.3 | -60.5 | 179.1 | 176.1 | -168.5 | -0.6 | 114.5 | ||||
| 290 | H | 28.1 | Very low | 34.3 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -136.6 | 124.8 | 158.8 | -77.5 | -77.8 | 0 | 0 | 0 | 114.5 | ||||
| 291 | S | 28.1 | Very low | 34 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 29.7 | 125.4 | 148.4 | 54.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 292 | L | 32.3 | Very low | 34.8 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -113.9 | 137.9 | 148.4 | -77 | 172.9 | 0 | 0 | 0 | 109.8 | ||||
| 293 | P | 36.2 | Very low | 34 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -108.9 | 141.9 | 171.2 | 36.9 | -29 | 0 | 0 | 0 | 114.3 | ||||
| 294 | L | 29.8 | Very low | 33.1 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | 41.3 | 124.5 | 140.5 | -132.8 | 74.5 | 0 | 0 | 0 | 122.5 | ||||
| 295 | T | 27.4 | Very low | 31.9 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | 176.9 | 119.4 | 139.5 | 24.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 296 | S | 29.5 | Very low | 32.3 | Very low | 101 Ų | 101 | 142 Ų | 142 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | 96.4 | 94.4 | 44.7 | 72.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 297 | D | 31.8 | Very low | 32.7 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -52.8 | 165.4 | 155.4 | -75.6 | -67.3 | 0 | 0 | 0 | 112.3 | ||||
| 298 | P | 43.7 | Very low | 33.2 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 74% | 0.74 | 76% | 0.76 | S | S | * | * | cis | -151.6 | 145.8 | 32 | 39.5 | -16.8 | 0 | 0 | 0 | 121.6 | ||||
| 299 | C | 28.4 | Very low | 33.4 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | 63.4 | 163 | 125.2 | -147.4 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 300 | W | 29.8 | Very low | 33.4 | Very low | 220 Ų | 220 | 134.9 Ų | 134.9 | 83% | 0.833 | 75% | 0.75 | S | S | * | * | trans | 76.4 | 138 | 169 | -58.2 | 96.8 | 0 | 0 | 0 | 118.4 | ||||
| 301 | T | 31.8 | Very low | 33.7 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | 179.1 | -169.8 | -22.1 | 19.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 302 | P | 51.5 | Low | 34.1 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | cis | -132.8 | 175.4 | -33.9 | 29.4 | -9.1 | 0 | 0 | 0 | 114.3 | ||||
| 303 | H | 30.2 | Very low | 34.5 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | 146.8 | 106.1 | 135.3 | -87.3 | -79.4 | 0 | 0 | 0 | 109.9 | ||||
| 304 | H | 31.6 | Very low | 34.8 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | cis | 87.4 | 87.6 | 45.3 | -167.8 | -63.4 | 0 | 0 | 0 | 114.2 | ||||
| 305 | K | 33.8 | Very low | 35 | Very low | 153 Ų | 153 | 139 Ų | 139 | 67% | 0.665 | 75% | 0.747 | S | S | * | * | -169.4 | 139.1 | 121.4 | -101.1 | -172.2 | 169.1 | -75.7 | 0 | 112.4 | |||||
| 306 | E | 34.8 | Very low | 35.7 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | trans | 30 | 142.9 | 144 | -68.2 | 124.3 | -137.9 | 0 | 0 | 122.5 | ||||
| 307 | A | 36.3 | Very low | 36.1 | Very low | 76 Ų | 76 | 145.1 Ų | 145.1 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | cis | -171.9 | 144 | -12.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 308 | L | 39.1 | Very low | 36 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | trans | 57.2 | 141.7 | 150.6 | -59.8 | 167.6 | 0 | 0 | 0 | 119.5 | ||||
| 309 | S | 33.5 | Very low | 35.3 | Very low | 93 Ų | 93 | 149.6 Ų | 149.6 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | cis | -166.3 | 142.3 | -10.2 | 52.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 310 | S | 33.5 | Very low | 35.5 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | trans | 51.9 | 150.5 | 142.4 | -53.6 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 311 | F | 34.3 | Very low | 36.1 | Very low | 196 Ų | 196 | 146.4 Ų | 146.4 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | cis | 168.9 | 152.9 | -28.7 | -132 | -87 | 0 | 0 | 0 | 105.9 | ||||
| 312 | T | 37.5 | Very low | 36.2 | Very low | 106 Ų | 106 | 147 Ų | 147 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | 91.5 | 83.7 | 152.6 | -39.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 313 | L | 40.6 | Very low | 35.5 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | 73.3 | 152.2 | 128.4 | -62.2 | 177.2 | 0 | 0 | 0 | 123.7 | |||||
| 314 | P | 42.6 | Very low | 35.7 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | trans | -107.5 | 163.8 | -179.2 | 41.3 | -35 | 0 | 0 | 0 | 115.2 | ||||
| 315 | R | 33.9 | Very low | 35.8 | Very low | 246 Ų | 246 | 153.3 Ų | 153.3 | 93% | 0.928 | 79% | 0.789 | S | S | * | * | trans | -156.1 | 142.2 | 154 | -121 | 177.7 | 178.8 | -173.8 | -0.2 | 112.7 | ||||
| 316 | P | 42.5 | Very low | 35.9 | Very low | 117 Ų | 117 | 156.9 Ų | 156.9 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -100.4 | 152.2 | -169.9 | 36.9 | -35 | 0 | 0 | 0 | 116.1 | ||||
| 317 | R | 36 | Very low | 35.9 | Very low | 246 Ų | 246 | 157.7 Ų | 157.7 | 93% | 0.928 | 80% | 0.802 | S | S | * | * | trans | 49.7 | 117 | 155.9 | -74.7 | -176 | 168.6 | -178.7 | -2.4 | 120 | ||||
| 318 | Q | 31.2 | Very low | 35.8 | Very low | 156 Ų | 156 | 159 Ų | 159 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | trans | -143.6 | 148.9 | 131.9 | -95.1 | -143.8 | 44.4 | 0 | 0 | 113.3 | ||||
| 319 | R | 29.3 | Very low | 35.4 | Very low | 208 Ų | 208 | 160.2 Ų | 160.2 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 30.9 | 112.2 | 156.5 | -70 | -179.6 | 162.1 | 85.4 | 1.6 | 119.5 | ||||
| 320 | S | 32.3 | Very low | 35.5 | Very low | 118 Ų | 118 | 167.7 Ų | 167.7 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 136.9 | 147.1 | 44.4 | 0 | 0 | 0 | 0 | 110.8 | ||
| 321 | P | 42.9 | Very low | 35.4 | Very low | 132 Ų | 132 | 166.1 Ų | 166.1 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 169 | 173 | 34.8 | -34.8 | 0 | 0 | 0 | 112.2 | ||
| 322 | S | 33.9 | Very low | 35.2 | Very low | 118 Ų | 118 | 168 Ų | 168 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 167.3 | -176.8 | 55.1 | 0 | 0 | 0 | 0 | 114 | ||
| 323 | A | 36.6 | Very low | 35 | Very low | 101 Ų | 101 | 168.8 Ų | 168.8 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | 71.8 | 114.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 324 | R | 34.3 | Very low | 34.8 | Very low | 250 Ų | 250 | 165.8 Ų | 165.8 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | trans | -140.3 | 145.9 | 141 | -175.8 | 158.2 | -79.1 | -133.8 | -1.1 | 110.7 | ||||
| 325 | R | 33.6 | Very low | 34.3 | Very low | 202 Ų | 202 | 163.7 Ų | 163.7 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | -124.5 | 124.2 | -173.4 | 169.9 | -166.9 | 177.2 | -157.7 | 2.5 | 109.7 | ||||
| 326 | R | 34.3 | Very low | 34.3 | Very low | 228 Ų | 228 | 159.9 Ų | 159.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | 176.7 | 132.4 | 156.8 | -91.9 | 146.2 | -159.3 | -96.4 | 7 | 106.4 | ||||
| 327 | H | 36.5 | Very low | 33.8 | Very low | 155 Ų | 155 | 161.2 Ų | 161.2 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | cis | 87.5 | 88.3 | 49.4 | -73.8 | -63.7 | 0 | 0 | 0 | 114.2 | ||||
| 328 | S | 34.3 | Very low | 33.6 | Very low | 103 Ų | 103 | 158.7 Ų | 158.7 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -137.4 | 134.9 | 142.9 | 47.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 329 | F | 30.7 | Very low | 33.7 | Very low | 195 Ų | 195 | 159.5 Ų | 159.5 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | cis | 74.9 | 94 | 26.6 | -130.3 | -73.6 | 0 | 0 | 0 | 112.9 | ||||
| 330 | W | 35.8 | Very low | 33.7 | Very low | 250 Ų | 250 | 158.2 Ų | 158.2 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | trans | -129.6 | 134.4 | 161.1 | -96.8 | 74 | 0 | 0 | 0 | 107 | ||||
| 331 | A | 29.8 | Very low | 33.6 | Very low | 82 Ų | 82 | 161.6 Ų | 161.6 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | -99.7 | 146.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 332 | R | 31 | Very low | 33.2 | Very low | 236 Ų | 236 | 164 Ų | 164 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -78.6 | 133.1 | 165.7 | 177.2 | -178.4 | -177.5 | 165.9 | 0.7 | 108.2 | ||||
| 333 | S | 32.9 | Very low | 33.1 | Very low | 121 Ų | 121 | 167.9 Ų | 167.9 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -122.7 | 143.2 | 168.2 | -165.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 334 | S | 35.7 | Very low | 32.6 | Very low | 103 Ų | 103 | 171.2 Ų | 171.2 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -163.3 | 124.8 | -177.9 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 335 | G | 33 | Very low | 32.2 | Very low | 71 Ų | 71 | 167.3 Ų | 167.3 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 168.5 | 156.3 | -180 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 336 | Q | 33.7 | Very low | 32 | Very low | 165 Ų | 165 | 166 Ų | 166 | 77% | 0.771 | 81% | 0.811 | S | S | * | * | cis | -158.5 | 178 | 4.6 | -139.4 | 171.4 | -82.7 | 0 | 0 | 109.9 | ||||
| 337 | E | 31.7 | Very low | 33.3 | Very low | 145 Ų | 145 | 160.5 Ų | 160.5 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | 61.2 | 154.4 | 176.8 | -74.3 | 83.1 | -109.8 | 0 | 0 | 117.4 | ||||
| 338 | E | 32.7 | Very low | 33.6 | Very low | 193 Ų | 193 | 158.7 Ų | 158.7 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | cis | -141.2 | -175.7 | 3.9 | -142.6 | 169.7 | -148.9 | 0 | 0 | 112.6 | ||||
| 339 | E | 32.9 | Very low | 34.4 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | -127.8 | 135.1 | -161.9 | 179.8 | -170.1 | 119.9 | 0 | 0 | 114.3 | ||||
| 340 | Q | 30.2 | Very low | 34.3 | Very low | 182 Ų | 182 | 157.2 Ų | 157.2 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | 166 | 153.4 | 155.7 | -97.8 | 160.2 | 78.1 | 0 | 0 | 109.9 | ||||
| 341 | K | 30.2 | Very low | 33.8 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | cis | -160.1 | 155.4 | -11.7 | -174.5 | -174.8 | 169.3 | -163.6 | 0 | 107.9 | ||||
| 342 | E | 33.3 | Very low | 33.8 | Very low | 184 Ų | 184 | 152 Ų | 152 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -70.5 | 150 | 171.6 | -67.4 | 173.1 | 113.7 | 0 | 0 | 114.2 | ||||
| 343 | E | 31.2 | Very low | 33.7 | Very low | 198 Ų | 198 | 146.5 Ų | 146.5 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -152.4 | 159 | 135.3 | -153.4 | 160.9 | -145.7 | 0 | 0 | 111.2 | ||||
| 344 | E | 26.5 | Very low | 33.7 | Very low | 172 Ų | 172 | 147.2 Ų | 147.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -120 | 173.4 | -170.7 | -172.7 | 175.8 | 105.2 | 0 | 0 | 111.6 | ||||
| 345 | M | 25.6 | Very low | 34.4 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 83% | 0.828 | 80% | 0.803 | S | S | * | * | trans | 101.3 | 146.4 | 152.6 | -145.7 | 60 | 146.4 | 0 | 0 | 118.8 | ||||
| 346 | Q | 29.7 | Very low | 35.4 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -117.4 | -163.2 | 179.4 | -59.6 | -178.6 | -30.3 | 0 | 0 | 110.2 | ||||
| 347 | P | 62.8 | Low | 36.2 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | -106.7 | -159.8 | -72.6 | 34.2 | -17.6 | 0 | 0 | 0 | 110.2 | |||||
| 348 | P | 41 | Very low | 36.1 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | -153.1 | -148.6 | 94.8 | 47.2 | -25.7 | 0 | 0 | 0 | 113.5 | |||||
| 349 | P | 51.6 | Low | 36 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | -139.2 | -161 | -121.6 | 36.7 | -9.5 | 0 | 0 | 0 | 117.6 | |||||
| 350 | L | 28.2 | Very low | 35.9 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 82 | 149.3 | 168.4 | -48.2 | 180 | 0 | 0 | 0 | 116.6 | ||||
| 351 | C | 26.7 | Very low | 36.2 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | cis | -143.4 | -178.6 | -1.8 | -146 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 352 | A | 29.2 | Very low | 36.5 | Very low | 93 Ų | 93 | 140.8 Ų | 140.8 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | -118.1 | 149.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 353 | S | 28.4 | Very low | 36.3 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -170.7 | 148 | 144.1 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 354 | T | 32.8 | Very low | 36.4 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -136 | 179 | 163.4 | -2.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 355 | P | 50.7 | Low | 36.7 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | cis | -139 | -123.3 | 31 | 29 | 0.9 | 0 | 0 | 0 | 115.4 | ||||
| 356 | P | 55.1 | Low | 37 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | -126.3 | -143.1 | -105.3 | 45.5 | -26.4 | 0 | 0 | 0 | 112.4 | |||||
| 357 | P | 49 | Very low | 37.1 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | cis | -137.2 | 174.3 | -19.8 | 41.1 | -24.1 | 0 | 0 | 0 | 117 | ||||
| 358 | H | 29.7 | Very low | 35.5 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | 63.7 | 165.8 | 146.9 | -103.5 | -45.4 | 0 | 0 | 0 | 119.5 | ||||
| 359 | R | 31.2 | Very low | 35.2 | Very low | 222 Ų | 222 | 133.7 Ų | 133.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | cis | -160.2 | 153.5 | -2.6 | -177.1 | -178.2 | -119.4 | -162.9 | -2 | 110.5 | ||||
| 360 | G | 30.3 | Very low | 34.4 | Very low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | trans | 126.2 | 126 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 361 | S | 37.3 | Very low | 34.7 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | cis | 71.6 | 124.3 | 28 | -44.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 362 | E | 35.9 | Very low | 35.3 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | cis | -136.3 | -177.5 | 10.4 | -63.3 | -170.3 | 146.8 | 0 | 0 | 110 | ||||
| 363 | A | 30 | Very low | 35.7 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | cis | -149.3 | 170.5 | 17.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 364 | L | 32.7 | Very low | 36 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -91.2 | 156.1 | -172.5 | -86.2 | 169 | 0 | 0 | 0 | 115 | ||||
| 365 | L | 33 | Very low | 36.1 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -61.1 | 137 | 165.5 | -62.7 | 163.4 | 0 | 0 | 0 | 110.9 | ||||
| 366 | L | 32.5 | Very low | 35.6 | Very low | 161 Ų | 161 | 135 Ų | 135 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | 172.3 | 111 | 116.2 | -92.8 | 170.7 | 0 | 0 | 0 | 111.7 | |||||
| 367 | L | 30.5 | Very low | 34.8 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 94% | 0.942 | 80% | 0.799 | S | S | * | * | trans | -148.6 | 152.6 | 140.2 | -145.6 | 69.3 | 0 | 0 | 0 | 109.7 | ||||
| 368 | S | 30.7 | Very low | 34.2 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | trans | -118.7 | 162.1 | -166.6 | -165.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 369 | S | 33.4 | Very low | 34.7 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | 61.7 | 88.3 | 157.5 | -58.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 370 | S | 34.1 | Very low | 34.7 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -142.4 | 123.5 | 150 | -72.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 371 | S | 35.9 | Very low | 34.6 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -48.6 | 143.2 | 179.2 | -50.5 | 0 | 0 | 0 | 0 | 116.7 | S373 | S371-S373 PolarHBondContact O-N 3.2Š| ||
| 372 | L | 38.8 | Very low | 34.3 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 95% | 0.953 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -66.1 | 90.9 | 163 | -71.9 | 168.7 | 0 | 0 | 0 | 110.4 | ||
| 373 | S | 38.4 | Very low | 34 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 62% | 0.622 | 82% | 0.82 | S | S | * | * | trans | -154.2 | 54.4 | -178.2 | -68.3 | 0 | 0 | 0 | 0 | 113.2 | S371 | S371-S373 PolarHBondContact O-N 3.2Š| ||
| 374 | S | 34.9 | Very low | 34.1 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | trans | -152 | 59.9 | 176.9 | -68.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 375 | L | 34.7 | Very low | 34.4 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 96% | 0.963 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -142.3 | 43.1 | 158.1 | -85.8 | -173.1 | 0 | 0 | 0 | 111.3 | ||
| 376 | S | 40.3 | Very low | 34.7 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | trans | -128 | 8.6 | -179.8 | 48.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 377 | Q | 38.3 | Very low | 35 | Very low | 174 Ų | 174 | 128.9 Ų | 128.9 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -117.1 | 39.3 | -173.3 | -68.6 | -169.9 | -18.6 | 0 | 0 | 114.3 | ||||
| 378 | L | 35.8 | Very low | 35.4 | Very low | 172 Ų | 172 | 125.5 Ų | 125.5 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -119.4 | 10.9 | 162.7 | -80.4 | 175 | 0 | 0 | 0 | 113.4 | ||
| 379 | L | 39.2 | Very low | 35.8 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -137.9 | 49.2 | 174.8 | -78.3 | 173.8 | 0 | 0 | 0 | 111.7 | ||
| 380 | S | 32 | Very low | 35.7 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -161.6 | 85.3 | 166.6 | -81.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 381 | S | 28.6 | Very low | 35.6 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -164.7 | 88.4 | 157.1 | -83.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 382 | S | 31.5 | Very low | 35.5 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -157.5 | 131.2 | 155.6 | -94.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 383 | S | 29.5 | Very low | 35.2 | Very low | 111 Ų | 111 | 140 Ų | 140 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -92.6 | 137.1 | -164.2 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 384 | S | 31 | Very low | 34.9 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | trans | -1.8 | 129.7 | 145.4 | 56.5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 385 | T | 40.3 | Very low | 35.1 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | 168.9 | 173.2 | 126.1 | 43.2 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 386 | P | 39.3 | Very low | 35.6 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | -114.5 | 164.8 | -87 | 27.8 | -8.4 | 0 | 0 | 0 | 113.8 | |||||
| 387 | A | 37.7 | Very low | 35.5 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | trans | -79.6 | 135.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 388 | P | 38.2 | Very low | 35.2 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | -81.8 | 149.5 | 168.6 | 33.2 | -33.8 | 0 | 0 | 0 | 111.9 | C390 | P388-C390 PolarHBondContact O-N 2.93Š| ||
| 389 | P | 39.5 | Very low | 35.3 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | trans | -87.2 | 106.9 | -175.6 | 32.7 | -33.8 | 0 | 0 | 0 | 113 | R391 | P389-R391 VanDerWaalsContact C-N 3.29Å; P389-R391 PolarHBondContact O-N 3.48Å | ||
| 390 | C | 31.4 | Very low | 35 | Very low | 133 Ų | 133 | 135 Ų | 135 | 90% | 0.899 | 81% | 0.807 | S | S | * | * | trans | -71.4 | 79.5 | 172 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | P388 | P388-C390 PolarHBondContact O-N 2.93Š| ||
| 391 | R | 33.1 | Very low | 35.1 | Very low | 233 Ų | 233 | 137.8 Ų | 137.8 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -70.2 | 141.9 | 170.7 | -167.4 | 176.6 | -171.3 | 168.7 | 2.1 | 110.1 | P389 Q393 | P389-R391 VanDerWaalsContact C-N 3.29Å; P389-R391 PolarHBondContact O-N 3.48Å; R391-Q393 PolarHBondContact O-N 3.05Å | ||
| 392 | R | 33.3 | Very low | 35.3 | Very low | 239 Ų | 239 | 137.9 Ų | 137.9 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -53.7 | 134.9 | 173.8 | -72.4 | 178.3 | 168.2 | -140.2 | 0.9 | 112 | ||||
| 393 | Q | 32 | Very low | 35.6 | Very low | 200 Ų | 200 | 136.5 Ų | 136.5 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | trans | -146.5 | 165.5 | 144 | -107 | 166.6 | 27.4 | 0 | 0 | 109.3 | R391 | R391-Q393 PolarHBondContact O-N 3.05Š| ||
| 394 | S | 33 | Very low | 36 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -104.7 | 165.1 | -159.6 | 52.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 395 | L | 38.9 | Very low | 36 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | trans | -24.3 | 145.2 | 148.9 | -78 | 170.5 | 0 | 0 | 0 | 114 | ||||
| 396 | P | 45.3 | Very low | 35.9 | Very low | 125 Ų | 125 | 145.9 Ų | 145.9 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | -138.4 | 167.4 | 65.8 | 40.6 | -25.8 | 0 | 0 | 0 | 118.5 | |||||
| 397 | T | 38.4 | Very low | 35.7 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 80% | 0.798 | 82% | 0.824 | S | S | * | * | trans | -60.8 | 137 | 170.1 | -48.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 398 | A | 30.8 | Very low | 35.5 | Very low | 81 Ų | 81 | 148.3 Ų | 148.3 | 67% | 0.669 | 82% | 0.824 | S | S | * | * | trans | -141.6 | 137.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | F400 | A398-F400 HydrophobicContact CB-CE2 4.35Š| ||
| 399 | A | 38.1 | Very low | 35.2 | Very low | 95 Ų | 95 | 152.5 Ų | 152.5 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | -97.3 | 141.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 400 | F | 32.7 | Very low | 34.8 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 79% | 0.794 | 83% | 0.826 | S | S | * | * | trans | -126.2 | 98 | 173.2 | -81.5 | -82.4 | 0 | 0 | 0 | 111 | A398 | A398-F400 HydrophobicContact CB-CE2 4.35Š| ||
| 401 | N | 35.2 | Very low | 35 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | trans | -74.3 | 134.3 | 149.4 | -94.2 | -31.2 | 0 | 0 | 0 | 107.7 | ||||
| 402 | T | 33.1 | Very low | 35.3 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | trans | -149.3 | 96.1 | 168.5 | -57 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 403 | A | 36.6 | Very low | 35.4 | Very low | 100 Ų | 100 | 145.7 Ų | 145.7 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | trans | -123.6 | 98.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 404 | Y | 37.8 | Very low | 35.5 | Very low | 218 Ų | 218 | 140 Ų | 140 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | 22 | 116.6 | 160.9 | -131.9 | -91.3 | 0 | 0 | 0 | 119.9 | ||||
| 405 | C | 32 | Very low | 35.4 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -78.1 | 139.8 | 164.8 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 406 | K | 37.5 | Very low | 35.1 | Very low | 203 Ų | 203 | 144.7 Ų | 144.7 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -142.3 | 127.4 | 154.6 | -163.5 | 174.4 | -177.8 | -176.7 | 0 | 110 | ||||
| 407 | L | 34.8 | Very low | 34.3 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | trans | -89.5 | 135.4 | -178.3 | -93.4 | 157.6 | 0 | 0 | 0 | 111.6 | ||||
| 408 | A | 34.6 | Very low | 34.1 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -167.9 | 126.2 | 141.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 409 | Q | 31.6 | Very low | 34.1 | Very low | 196 Ų | 196 | 149.4 Ų | 149.4 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -68.3 | 157.1 | 152 | -73.5 | 157.7 | -90.5 | 0 | 0 | 108.4 | ||||
| 410 | G | 30.8 | Very low | 33.8 | Very low | 61 Ų | 61 | 149.8 Ų | 149.8 | 63% | 0.629 | 80% | 0.803 | S | S | * | * | cis | 170.2 | -150.7 | 0.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 411 | E | 36.2 | Very low | 33.9 | Very low | 198 Ų | 198 | 149.6 Ų | 149.6 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | 75.9 | 133.5 | 172.6 | -52.7 | -175.2 | 150.1 | 0 | 0 | 116 | ||||
| 412 | D | 37.6 | Very low | 33.8 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -89.7 | 161.3 | -177.9 | -51.5 | -95.7 | 0 | 0 | 0 | 111.3 | ||||
| 413 | E | 36.9 | Very low | 33.9 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | trans | 173.5 | 123.8 | 130.2 | -93.8 | -77.1 | 59.9 | 0 | 0 | 113.7 | ||||
| 414 | S | 33.2 | Very low | 33.9 | Very low | 80 Ų | 80 | 152 Ų | 152 | 56% | 0.559 | 80% | 0.799 | S | S | * | * | 40.9 | 120.3 | 129.6 | -68 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 415 | F | 30.8 | Very low | 34.4 | Very low | 190 Ų | 190 | 146.8 Ų | 146.8 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | 82 | 134.9 | 130.8 | -86.2 | -83.2 | 0 | 0 | 0 | 124.5 | ||||
| 416 | E | 33.4 | Very low | 34.6 | Very low | 171 Ų | 171 | 149.8 Ų | 149.8 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -47.2 | 144.6 | 159.8 | -70.1 | 168.5 | 80.6 | 0 | 0 | 115.2 | ||||
| 417 | W | 28 | Very low | 34.6 | Very low | 232 Ų | 232 | 146.4 Ų | 146.4 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -150.4 | 142.2 | 135.3 | -170.7 | -108.1 | 0 | 0 | 0 | 111.4 | ||||
| 418 | S | 34.4 | Very low | 34.6 | Very low | 103 Ų | 103 | 147.8 Ų | 147.8 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -105.6 | 136.4 | 170.8 | -73.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 419 | S | 30.9 | Very low | 34.7 | Very low | 100 Ų | 100 | 147.3 Ų | 147.3 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -144.1 | 143.4 | 161 | -164.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 420 | S | 32.7 | Very low | 35 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -127.8 | 129 | -173.6 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 421 | H | 34.7 | Very low | 36.1 | Very low | 176 Ų | 176 | 148.3 Ų | 148.3 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | -148.2 | 147.7 | 160.6 | -64.7 | -45.6 | 0 | 0 | 0 | 107.2 | ||||
| 422 | K | 32.3 | Very low | 36.2 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | cis | -150.2 | 151.8 | 7.6 | -162.8 | 177.8 | 179.2 | -176.4 | 0 | 109.6 | ||||
| 423 | V | 35.2 | Very low | 36.5 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -115.5 | 140.2 | 172.7 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 424 | T | 35.8 | Very low | 37.7 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -156.6 | 133.7 | 154.1 | 10.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 425 | P | 49.5 | Very low | 38.2 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -97 | 172.6 | 174.5 | 40.1 | -35.2 | 0 | 0 | 0 | 112 | ||||
| 426 | E | 36 | Very low | 39.2 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | -164.9 | 178 | 115.3 | -156.5 | 140.2 | 143.5 | 0 | 0 | 109.9 | |||||
| 427 | V | 37.2 | Very low | 40.3 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -133.2 | 121.7 | -176.8 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 428 | E | 35.4 | Very low | 40.9 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -149.6 | 174.5 | 154.6 | -137.2 | 171.6 | 140.8 | 0 | 0 | 111.4 | ||||
| 429 | A | 36.6 | Very low | 41.2 | Very low | 87 Ų | 87 | 141.4 Ų | 141.4 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | trans | -125.3 | 150.9 | -155.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 430 | Q | 37.2 | Very low | 41.8 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | 47.6 | 160 | 149.4 | -78.6 | -157.4 | 11.4 | 0 | 0 | 121.6 | ||||
| 431 | P | 53.2 | Low | 42.3 | Very low | 96 Ų | 96 | 146 Ų | 146 | 62% | 0.623 | 81% | 0.806 | S | S | * | * | cis | -133.3 | -142.4 | -37.6 | 39.6 | -21.1 | 0 | 0 | 0 | 109.5 | ||||
| 432 | S | 38.6 | Very low | 42.8 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | trans | 64.7 | 110.1 | 165.8 | 36.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 433 | Q | 44.8 | Very low | 43.5 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | 100.7 | 158.5 | 77 | -79.7 | -81.5 | -41.6 | 0 | 0 | 111.6 | |||||
| 434 | P | 61 | Low | 44.1 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | trans | -109.9 | -157.9 | -151.5 | 43.2 | -37.5 | 0 | 0 | 0 | 115.6 | ||||
| 435 | E | 44.8 | Very low | 44.8 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | 87.5 | 104.2 | 175.6 | -57.7 | -147.9 | 106.5 | 0 | 0 | 114.9 | ||||
| 436 | T | 50.6 | Low | 44.4 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 72% | 0.718 | 82% | 0.817 | S | S | * | * | 73.5 | 153.9 | 82 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 437 | P | 56.9 | Low | 45.1 | Very low | 199 Ų | 199 | 142.4 Ų | 142.4 | 100% | 1.292 | 81% | 0.812 | S | S | * | * | cis | -94.6 | 0 | 6.1 | 38.6 | -34.1 | 0 | 0 | 0 | 116.1 |
Retrieved 437 of 437 residues in 121.4 ms
(Link to these results)