| 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 | 41.9 | Very low | 47.5 | Very low | 238 Ų | 238 | 142.5 Ų | 142.5 | 100% | 1.172 | 83% | 0.83 | S | S | * | * | 0 | 101.8 | 0 | -71.4 | 173.4 | 162.3 | 0 | 0 | 106.8 | |||||
| 2 | F | 39.9 | Very low | 48.9 | Very low | 215 Ų | 215 | 135.6 Ų | 135.6 | 94% | 0.943 | 80% | 0.796 | S | S | * | * | trans | -107.6 | 118.5 | 177 | -72.6 | -74.4 | 0 | 0 | 0 | 108.1 | ||||
| 3 | S | 47.8 | Very low | 49.3 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 128.4 | 177.9 | -57.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 4 | S | 41.3 | Very low | 49.7 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 143.1 | 174.2 | -50.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 5 | P | 53.1 | Low | 50.3 | Low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 132.1 | 171.1 | 30.9 | -30.3 | 0 | 0 | 0 | 110.9 | T7 | P5-T7 PolarHBondContact O-N 3.41Š|
| 6 | S | 45.8 | Very low | 50.7 | Low | 122 Ų | 122 | 133.3 Ų | 133.3 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | trans | -65.5 | 114.8 | 172.9 | 36.7 | 0 | 0 | 0 | 0 | 111 | S8 | S6-S8 PolarHBondContact O-N 2.77Š| ||
| 7 | T | 43.4 | Very low | 50.7 | Low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | -81.6 | 104.7 | 166.9 | -66.5 | 0 | 0 | 0 | 0 | 108.7 | P5 T9 | P5-T7 PolarHBondContact O-N 3.41Å; T7-T9 PolarHBondContact O-N 3.32Å | ||
| 8 | S | 45.3 | Very low | 50.5 | Low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -61.6 | 119.1 | 168.8 | 177 | 0 | 0 | 0 | 0 | 109.9 | S6 | S6-S8 PolarHBondContact O-N 2.77Š| ||
| 9 | T | 56.1 | Low | 50.6 | Low | 115 Ų | 115 | 135.9 Ų | 135.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -97.3 | 125.5 | 167.7 | 49.2 | 0 | 0 | 0 | 0 | 107.6 | T7 F11 | T7-T9 PolarHBondContact O-N 3.32Å; T9-F11 VanDerWaalsContact C-N 3.32Å; T9-F11 PolarHBondContact O-N 2.71Å | ||
| 10 | P | 61.4 | Low | 50.6 | Low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -90.9 | 23.6 | -168 | 36 | -36 | 0 | 0 | 0 | 114.4 | ||
| 11 | F | 46.3 | Very low | 50.7 | Low | 172 Ų | 172 | 139.5 Ų | 139.5 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | trans | -142.5 | 104.6 | 175.1 | -99.2 | -86.1 | 0 | 0 | 0 | 110.5 | T9 | T9-F11 VanDerWaalsContact C-N 3.32Å; T9-F11 PolarHBondContact O-N 2.71Å | ||
| 12 | S | 64.6 | Low | 50.8 | Low | 60 Ų | 60 | 137.2 Ų | 137.2 | 42% | 0.42 | 75% | 0.754 | S | S | . | * | trans | -89.5 | 135.9 | 175.1 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | K14 D15 | S12-K14 PolarHBondContact O-N 2.85Å; S12-D15 PolarHBondContact N-OD2 3.03Å; S12-D15 WeakPolarHBondContact O-CB 3.4Å; S12-D15 PolarHBondContact O-N 3.09Å | ||
| 13 | V | 54.5 | Low | 50.8 | Low | 114 Ų | 114 | 134.4 Ų | 134.4 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -55.1 | -18.7 | 177.7 | 179.7 | 0 | 0 | 0 | 0 | 112.5 | D15 I16 | V13-D15 VanDerWaalsContact C-N 3.28Å; V13-D15 PolarHBondContact O-N 3.32Å; V13-I16 PolarHBondContact O-N 3.47Å |
| 14 | K | 54.8 | Low | 50.2 | Low | 164 Ų | 164 | 132 Ų | 132 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -68.6 | -22.2 | 175.8 | -62.6 | 176.4 | -179.4 | -178.5 | 0 | 113.6 | S12 I16 | S12-K14 PolarHBondContact O-N 2.85Å; K14-I16 VanDerWaalsContact C-N 3.27Å; K14-I16 PolarHBondContact O-N 3Å |
| 15 | D | 58.6 | Low | 50 | Low | 99 Ų | 99 | 130.8 Ų | 130.8 | 53% | 0.529 | 75% | 0.746 | S | S | . | * | G | 310 helix | trans | -75.4 | -18.2 | 179.2 | -57.5 | -38.3 | 0 | 0 | 0 | 112.3 | S12 V13 | S12-D15 PolarHBondContact N-OD2 3.03Å; S12-D15 WeakPolarHBondContact O-CB 3.4Å; S12-D15 PolarHBondContact O-N 3.09Å; V13-D15 VanDerWaalsContact C-N 3.28Å; V13-D15 PolarHBondContact O-N 3.32Å |
| 16 | I | 56 | Low | 49.5 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -82.7 | -25.6 | -177.9 | -60.3 | 171.4 | 0 | 0 | 0 | 111.9 | V13 K14 | V13-I16 PolarHBondContact O-N 3.47Å; K14-I16 VanDerWaalsContact C-N 3.27Å; K14-I16 PolarHBondContact O-N 3Å |
| 17 | L | 51.1 | Low | 49.1 | Very low | 146 Ų | 146 | 134.8 Ų | 134.8 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -101.3 | -0.3 | -173 | -68.2 | 175.2 | 0 | 0 | 0 | 114.7 | ||
| 18 | N | 47.8 | Very low | 49.3 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -107.4 | 14.6 | 179.8 | -84.7 | 12.2 | 0 | 0 | 0 | 114.4 | E20 | N18-E20 PolarHBondContact O-N 3.34Š|
| 19 | L | 51.1 | Low | 49 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 36.7 | -178 | -145 | 79.8 | 0 | 0 | 0 | 113.8 | ||
| 20 | E | 50.5 | Low | 47.9 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.6 | 26.7 | 176.1 | -154.8 | 163.2 | 133 | 0 | 0 | 115.4 | N18 | N18-E20 PolarHBondContact O-N 3.34Š|
| 21 | H | 53.8 | Low | 47 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -140.3 | 138.5 | 163.7 | -96.7 | -100.2 | 0 | 0 | 0 | 109.5 | ||
| 22 | H | 43.3 | Very low | 46.6 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | trans | 98 | 65.8 | -174.9 | -50 | -67.7 | 0 | 0 | 0 | 115.9 | ||||
| 23 | T | 41.1 | Very low | 45.3 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | trans | -108 | 107.9 | 138.2 | 43 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 24 | G | 34.4 | Very low | 44.6 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 173.2 | 100.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 25 | A | 36.3 | Very low | 44.3 | Very low | 88 Ų | 88 | 141.5 Ų | 141.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 80.6 | 136.4 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 26 | E | 43.2 | Very low | 43.1 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | 60.4 | 113.3 | 158.8 | -43.5 | -50.9 | 115.9 | 0 | 0 | 119.9 | ||||
| 27 | D | 36.8 | Very low | 42.3 | Very low | 165 Ų | 165 | 147.5 Ų | 147.5 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | -170.6 | 134.2 | 108.9 | -107.7 | -23.5 | 0 | 0 | 0 | 113.6 | |||||
| 28 | L | 47.6 | Very low | 41.5 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -80.9 | 128.6 | 174.7 | -69.7 | 161.8 | 0 | 0 | 0 | 110 | ||||
| 29 | V | 39.1 | Very low | 40.8 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | -151.1 | 114.1 | 148.8 | -89.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 30 | S | 34.4 | Very low | 40.2 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -58.9 | 135.2 | 163.4 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 31 | L | 41.6 | Very low | 39.8 | Very low | 173 Ų | 173 | 142.3 Ų | 142.3 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -138.3 | 113.1 | 145.6 | -90.3 | 169.8 | 0 | 0 | 0 | 109.1 | ||||
| 32 | D | 36.9 | Very low | 39.4 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -62.4 | 128.7 | 167.4 | 177.8 | 20.9 | 0 | 0 | 0 | 110.1 | ||||
| 33 | I | 38.2 | Very low | 39.3 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -146.2 | 112.8 | 156.5 | -95.8 | 141.1 | 0 | 0 | 0 | 107.3 | ||||
| 34 | S | 40.3 | Very low | 39.3 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 69% | 0.685 | 79% | 0.792 | S | S | * | * | trans | -56.7 | 151.4 | 174.5 | -88.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 35 | P | 47.4 | Very low | 39.6 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -96.2 | 124.5 | 173.9 | 34.7 | -26.2 | 0 | 0 | 0 | 110.9 | ||||
| 36 | R | 33.7 | Very low | 39.9 | Very low | 222 Ų | 222 | 140.2 Ų | 140.2 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -148.3 | 120.4 | 159.9 | -96.5 | -153.6 | 157 | 139.3 | -3.1 | 113.9 | ||||
| 37 | M | 38.6 | Very low | 40.1 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | trans | 78.4 | 114.3 | 143 | -52.8 | -49.6 | 175.3 | 0 | 0 | 120.8 | ||||
| 38 | D | 34.2 | Very low | 40 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | 61.3 | 115.7 | 132.9 | -54.2 | -35.1 | 0 | 0 | 0 | 120 | ||||
| 39 | C | 33.8 | Very low | 39.5 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 86% | 0.858 | 80% | 0.799 | S | S | * | * | 179.9 | 125.4 | 111.4 | -89.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 40 | A | 38.3 | Very low | 39.5 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 63.3 | 98.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 41 | L | 42.3 | Very low | 40 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | -77.6 | 155.4 | 142.1 | -92.8 | 123.9 | 0 | 0 | 0 | 110.3 | T43 | L41-T43 WeakPolarHBondContact CD2-OG1 3.22Š| ||
| 42 | P | 46.2 | Very low | 39.8 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -127 | 112.7 | 133.2 | 33.5 | -21.3 | 0 | 0 | 0 | 110.1 | ||||
| 43 | T | 40.8 | Very low | 39.8 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | trans | -132.9 | 88.3 | 159.6 | -43.3 | 0 | 0 | 0 | 0 | 107.1 | L41 C45 | L41-T43 WeakPolarHBondContact CD2-OG1 3.22Å; T43-C45 PolarHBondContact O-N 3.35Å | ||
| 44 | S | 40.4 | Very low | 40.3 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -79.3 | 110 | 170.7 | 60.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 45 | C | 41.1 | Very low | 40.1 | Very low | 109 Ų | 109 | 143 Ų | 143 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | -139.7 | 124.8 | 162.7 | -90.9 | 0 | 0 | 0 | 0 | 108.9 | T43 | T43-C45 PolarHBondContact O-N 3.35Š| ||
| 46 | M | 43.3 | Very low | 39.8 | Very low | 167 Ų | 167 | 149.2 Ų | 149.2 | 82% | 0.823 | 79% | 0.786 | S | S | * | * | trans | 74 | 106.1 | 150 | -56.3 | -75.5 | -81.4 | 0 | 0 | 117.6 | ||||
| 47 | L | 47.8 | Very low | 39.8 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | 138.4 | 115.7 | 126.5 | -75.3 | 159.7 | 0 | 0 | 0 | 113 | |||||
| 48 | A | 33.4 | Very low | 39.7 | Very low | 94 Ų | 94 | 148.5 Ų | 148.5 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -154.1 | 141.6 | 149.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 49 | R | 38 | Very low | 39.6 | Very low | 226 Ų | 226 | 146.7 Ų | 146.7 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | 87.4 | 137.6 | 160.4 | -64.3 | -155 | 157.4 | 171.4 | -2.3 | 118.5 | ||||
| 50 | L | 39.4 | Very low | 39.8 | Very low | 136 Ų | 136 | 146 Ų | 146 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | cis | 174 | 125.5 | -17.3 | -114.1 | 169.3 | 0 | 0 | 0 | 102.8 | ||||
| 51 | K | 43.8 | Very low | 39.5 | Very low | 209 Ų | 209 | 145 Ų | 145 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | trans | -172.4 | 113.2 | 137.5 | -140.1 | 161.1 | 171.4 | 174 | 0 | 113.3 | ||||
| 52 | Q | 38.8 | Very low | 39.2 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | -47.6 | 158.6 | 153 | -86.8 | 179 | -38 | 0 | 0 | 112.8 | ||||
| 53 | E | 36.3 | Very low | 38.9 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | cis | -177.1 | -169.9 | 13.6 | -93.5 | -85.2 | 159.9 | 0 | 0 | 105 | ||||
| 54 | P | 49.2 | Very low | 38.8 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | cis | -132.1 | 154.9 | -23.8 | 18.9 | 5.4 | 0 | 0 | 0 | 115.6 | ||||
| 55 | L | 34.8 | Very low | 38.5 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | 51.3 | 119 | 128.2 | -130.1 | 152.2 | 0 | 0 | 0 | 122.8 | |||||
| 56 | R | 40.7 | Very low | 38.1 | Very low | 252 Ų | 252 | 146.6 Ų | 146.6 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | trans | -152.7 | 120.1 | 131.3 | -74.5 | -145 | 176 | -160.7 | -1.3 | 111.8 | ||||
| 57 | E | 35.4 | Very low | 37.8 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -70.2 | 150 | 161.5 | -65.6 | 176.1 | 140 | 0 | 0 | 111.1 | ||||
| 58 | I | 35.5 | Very low | 37.3 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | -165.7 | 104.5 | 124.6 | -50.1 | -168.2 | 0 | 0 | 0 | 106.5 | |||||
| 59 | S | 31.9 | Very low | 37.5 | Very low | 100 Ų | 100 | 147.7 Ų | 147.7 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | 67.5 | 118.6 | 98.5 | -143.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 60 | S | 37.5 | Very low | 37.5 | Very low | 112 Ų | 112 | 145.3 Ų | 145.3 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | 73.6 | 104.8 | 136.2 | -51.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 61 | G | 32.6 | Very low | 37.2 | Very low | 81 Ų | 81 | 142.3 Ų | 142.3 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | 83 | 111.3 | 102.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 62 | S | 36.4 | Very low | 36.9 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -156.8 | 115.9 | 136.9 | 69.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 63 | S | 39.3 | Very low | 36.7 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -91.3 | 140.7 | 162 | 165.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 64 | L | 40 | Very low | 36.6 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | -153.5 | 100.1 | 161.2 | -152.2 | 70.6 | 0 | 0 | 0 | 110.7 | ||||
| 65 | F | 33.2 | Very low | 35.8 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 82% | 0.82 | 79% | 0.793 | S | S | * | * | trans | 59.5 | 119.7 | 156.1 | -69.2 | -100.5 | 0 | 0 | 0 | 118.1 | ||||
| 66 | G | 33.9 | Very low | 36.1 | Very low | 72 Ų | 72 | 142.9 Ų | 142.9 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | 100.1 | 132.9 | 70.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 67 | E | 35.9 | Very low | 36.2 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | cis | -169.1 | 152.9 | 25.9 | -141 | 171.5 | 117 | 0 | 0 | 107.7 | ||||
| 68 | E | 37.1 | Very low | 36.4 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | 10.3 | 155.4 | 148.9 | -84.6 | -170.6 | 102.2 | 0 | 0 | 122.9 | ||||
| 69 | L | 38.5 | Very low | 36.6 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 62% | 0.623 | 78% | 0.779 | S | S | * | * | cis | -170.9 | 162.1 | -5.5 | -162.2 | 91.2 | 0 | 0 | 0 | 106.5 | ||||
| 70 | H | 37.8 | Very low | 36.9 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | 116.5 | 113.1 | 157.4 | -68.2 | 92.5 | 0 | 0 | 0 | 115.9 | ||||
| 71 | G | 32.6 | Very low | 36.8 | Very low | 72 Ų | 72 | 141.2 Ų | 141.2 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | -106.5 | 165.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 72 | V | 37.3 | Very low | 36.8 | Very low | 152 Ų | 152 | 147 Ų | 147 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -148.3 | 144.4 | 149.3 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 73 | K | 34.5 | Very low | 36.9 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -71.4 | 152.6 | -173.9 | -64.4 | 167 | 174.5 | 172.1 | 0 | 114.1 | ||||
| 74 | A | 34.6 | Very low | 36.9 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 62.5 | 148.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 75 | N | 32.7 | Very low | 36.8 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 63% | 0.626 | 77% | 0.773 | S | S | * | * | cis | -176.6 | 150.4 | -11.1 | -177.1 | 4.6 | 0 | 0 | 0 | 106.3 | ||||
| 76 | R | 41.6 | Very low | 37.1 | Very low | 203 Ų | 203 | 141.8 Ų | 141.8 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | trans | 71.9 | 114.2 | 157.2 | -89.4 | 173.2 | -90.6 | -165.4 | 0.3 | 121.2 | ||||
| 77 | N | 41.4 | Very low | 37.5 | Very low | 152 Ų | 152 | 150 Ų | 150 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 48.2 | 117.1 | 146.9 | -75.1 | -32.5 | 0 | 0 | 0 | 120.4 | ||||
| 78 | T | 40.8 | Very low | 37.3 | Very low | 120 Ų | 120 | 145 Ų | 145 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -170.8 | 123.1 | 144.1 | 18 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 79 | D | 38.3 | Very low | 37.4 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 40.9 | 117.1 | 137.9 | -49.7 | -35.7 | 0 | 0 | 0 | 121.5 | ||||
| 80 | F | 38.3 | Very low | 37.3 | Very low | 214 Ų | 214 | 146.8 Ų | 146.8 | 94% | 0.939 | 80% | 0.799 | S | S | * | * | trans | -117 | 87 | 150.8 | -82.9 | -75.8 | 0 | 0 | 0 | 110.8 | F82 | F80-F82 PolarHBondContact O-N 3.3Š| ||
| 81 | N | 36.2 | Very low | 37.2 | Very low | 145 Ų | 145 | 146.9 Ų | 146.9 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -63.2 | 114.2 | 150.3 | -107.7 | -54.8 | 0 | 0 | 0 | 108.8 | ||||
| 82 | F | 32.6 | Very low | 37.8 | Very low | 201 Ų | 201 | 150.9 Ų | 150.9 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -117.4 | 90.9 | 150 | -167.9 | -96.6 | 0 | 0 | 0 | 107.5 | F80 | F80-F82 PolarHBondContact O-N 3.3Š| ||
| 83 | A | 37.4 | Very low | 37.8 | Very low | 69 Ų | 69 | 151 Ų | 151 | 57% | 0.57 | 79% | 0.792 | S | S | * | * | trans | -72.7 | 138.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 84 | A | 40.3 | Very low | 38.3 | Very low | 99 Ų | 99 | 150.3 Ų | 150.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 39.9 | 97.8 | 133.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 85 | A | 38.1 | Very low | 38.7 | Very low | 83 Ų | 83 | 151.8 Ų | 151.8 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | -160.8 | 86.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 86 | F | 38.9 | Very low | 39.2 | Very low | 219 Ų | 219 | 152.1 Ų | 152.1 | 96% | 0.961 | 79% | 0.788 | S | S | * | * | trans | -157 | 63.8 | 154.3 | -98.6 | -71.7 | 0 | 0 | 0 | 110.1 | ||||
| 87 | Y | 41.8 | Very low | 39.4 | Very low | 245 Ų | 245 | 152.7 Ų | 152.7 | 96% | 0.961 | 80% | 0.796 | S | S | * | * | trans | -102.8 | 132.9 | 149.7 | -98.5 | -84 | 0 | 0 | 0 | 107.7 | ||||
| 88 | G | 33 | Very low | 39.4 | Very low | 71 Ų | 71 | 152.8 Ų | 152.8 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 106.4 | 89.6 | 158 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 89 | K | 38.7 | Very low | 39.1 | Very low | 211 Ų | 211 | 150.7 Ų | 150.7 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | -142.7 | 106.8 | 128.1 | -88.8 | -152.2 | 175.4 | -175.2 | 0 | 110.5 | |||||
| 90 | S | 35.6 | Very low | 39.1 | Very low | 103 Ų | 103 | 153.7 Ų | 153.7 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | trans | -55.5 | 132 | 156.9 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 91 | F | 36.4 | Very low | 39.3 | Very low | 178 Ų | 178 | 149 Ų | 149 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -118.5 | 76.1 | 166.8 | -170.6 | -95.5 | 0 | 0 | 0 | 107.3 | ||||
| 92 | L | 44.4 | Very low | 39.5 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 82% | 0.817 | 80% | 0.798 | S | S | * | * | trans | -88.3 | 120.6 | 146.1 | -98.8 | 93.1 | 0 | 0 | 0 | 105.3 | ||||
| 93 | E | 38.3 | Very low | 39.8 | Very low | 154 Ų | 154 | 144.9 Ų | 144.9 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | 165.4 | 93.7 | 141.6 | -169.3 | 163.9 | -177.4 | 0 | 0 | 109.1 | ||||
| 94 | M | 45.7 | Very low | 40.3 | Very low | 179 Ų | 179 | 150.1 Ų | 150.1 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -138.4 | 100.7 | 150.9 | -84.6 | -147.2 | 130.8 | 0 | 0 | 107.1 | ||||
| 95 | D | 41.8 | Very low | 40.1 | Very low | 134 Ų | 134 | 154.3 Ų | 154.3 | 72% | 0.717 | 81% | 0.81 | S | S | * | * | trans | -87.5 | 126.5 | 168.6 | -90.1 | -39.2 | 0 | 0 | 0 | 111.1 | ||||
| 96 | I | 43.7 | Very low | 39.9 | Very low | 124 Ų | 124 | 153.7 Ų | 153.7 | 64% | 0.636 | 81% | 0.812 | S | S | * | * | trans | 57.3 | 115 | 131.2 | -51.4 | 169.5 | 0 | 0 | 0 | 119.2 | ||||
| 97 | K | 45.5 | Very low | 40.1 | Very low | 215 Ų | 215 | 153 Ų | 153 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | trans | -145.2 | 117.1 | 132.8 | -117.3 | 173 | -176.4 | 177.1 | 0 | 111.4 | ||||
| 98 | D | 41 | Very low | 39.8 | Very low | 153 Ų | 153 | 148.5 Ų | 148.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -70.8 | 158 | 179.2 | -67.4 | -65.1 | 0 | 0 | 0 | 114.9 | ||||
| 99 | G | 36.2 | Very low | 40.2 | Very low | 77 Ų | 77 | 154.6 Ų | 154.6 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 122.1 | 133.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 100 | K | 38.3 | Very low | 40.2 | Very low | 197 Ų | 197 | 154.3 Ų | 154.3 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | cis | -168.7 | 145.1 | -12 | 169.9 | 152.4 | 174.3 | 160.5 | 0 | 105.5 | ||||
| 101 | T | 40.7 | Very low | 40.2 | Very low | 116 Ų | 116 | 157 Ų | 157 | 71% | 0.712 | 80% | 0.802 | S | S | * | * | trans | -25.4 | 136.6 | 167 | 58.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 102 | D | 41 | Very low | 40.6 | Very low | 159 Ų | 159 | 156.6 Ų | 156.6 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | -154.5 | 147 | 120.4 | -144.6 | -20.1 | 0 | 0 | 0 | 111.7 | |||||
| 103 | S | 39.3 | Very low | 40.3 | Very low | 100 Ų | 100 | 154.3 Ų | 154.3 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -80 | 150.1 | -177.1 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 104 | L | 46.9 | Very low | 40 | Very low | 179 Ų | 179 | 155.6 Ų | 155.6 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 126.5 | 136.2 | -140.8 | 96.4 | 0 | 0 | 0 | 111.8 | ||||
| 105 | E | 36.5 | Very low | 39.7 | Very low | 187 Ų | 187 | 154.7 Ų | 154.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -66.4 | 161.7 | 175.1 | -72 | -177.1 | 108 | 0 | 0 | 114.8 | ||||
| 106 | G | 35 | Very low | 39.5 | Very low | 71 Ų | 71 | 152.3 Ų | 152.3 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 102.1 | 140.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 107 | K | 42.5 | Very low | 39.3 | Very low | 204 Ų | 204 | 155.4 Ų | 155.4 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | cis | -164.6 | 129.8 | 10.1 | -96.8 | 168.8 | 176.3 | 165.5 | 0 | 104.4 | ||||
| 108 | H | 34.8 | Very low | 38.8 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | 84.2 | 132.6 | 88.9 | -151.4 | -128.8 | 0 | 0 | 0 | 115.5 | |||||
| 109 | R | 42.3 | Very low | 38.8 | Very low | 200 Ų | 200 | 151.9 Ų | 151.9 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | 85.9 | 109.7 | 161.2 | -47.7 | -163.4 | 155.7 | 164 | -2.1 | 115.6 | ||||
| 110 | K | 39.4 | Very low | 39.3 | Very low | 204 Ų | 204 | 153.6 Ų | 153.6 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | 48.1 | 81 | 50.1 | -77 | -171.5 | -177.1 | 175.1 | 0 | 113.3 | |||||
| 111 | D | 34.2 | Very low | 39.2 | Very low | 160 Ų | 160 | 147.9 Ų | 147.9 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -106.4 | 93.1 | 153.4 | -74.7 | -24.4 | 0 | 0 | 0 | 109.2 | ||||
| 112 | M | 45.1 | Very low | 39.7 | Very low | 169 Ų | 169 | 151.1 Ų | 151.1 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | trans | -82.7 | 94.4 | 162.6 | -118 | -76.2 | -73.3 | 0 | 0 | 105.9 | Y114 | M112-Y114 PolarHBondContact O-N 2.88Š| ||
| 113 | S | 37.3 | Very low | 40 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -83 | 99.7 | 173 | 63.2 | 0 | 0 | 0 | 0 | 109.6 | I115 | S113-I115 PolarHBondContact O-N 3.16Š| ||
| 114 | Y | 33 | Very low | 40.8 | Very low | 182 Ų | 182 | 153.9 Ų | 153.9 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | trans | -52.1 | 118.1 | 166.2 | -174.9 | -99.9 | 0 | 0 | 0 | 110.5 | M112 S116 | M112-Y114 PolarHBondContact O-N 2.88Å; Y114-S116 PolarHBondContact O-N 3.03Å | ||
| 115 | I | 38.7 | Very low | 40.6 | Very low | 160 Ų | 160 | 154.8 Ų | 154.8 | 82% | 0.821 | 80% | 0.802 | S | S | * | * | trans | -76.6 | 106.2 | 166.6 | -82.3 | 171.6 | 0 | 0 | 0 | 106.9 | S113 | S113-I115 PolarHBondContact O-N 3.16Š| ||
| 116 | S | 38.3 | Very low | 41.2 | Very low | 84 Ų | 84 | 151 Ų | 151 | 59% | 0.587 | 80% | 0.796 | S | S | * | * | trans | -68.2 | 135.8 | 169.9 | -67.5 | 0 | 0 | 0 | 0 | 110.6 | Y114 | Y114-S116 PolarHBondContact O-N 3.03Š| ||
| 117 | Q | 40.3 | Very low | 42 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -64.8 | 136 | 166.5 | -67.8 | 166.2 | -20.8 | 0 | 0 | 110.2 | ||||
| 118 | S | 33.3 | Very low | 42.9 | Very low | 114 Ų | 114 | 153 Ų | 153 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -151.5 | 106 | 156.6 | 60.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 119 | E | 40.9 | Very low | 44 | Very low | 180 Ų | 180 | 152 Ų | 152 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -101.9 | 170.4 | 153.6 | -70.1 | -74.5 | 149.5 | 0 | 0 | 106.7 | ||||
| 120 | P | 47.3 | Very low | 44.6 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | cis | -123 | 154.3 | -32.7 | 32.6 | -16.3 | 0 | 0 | 0 | 110.6 | ||||
| 121 | G | 37.2 | Very low | 45.5 | Very low | 77 Ų | 77 | 148.8 Ų | 148.8 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -133.9 | 101.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | D123 | G121-D123 PolarHBondContact O-N 3.24Š| ||
| 122 | E | 50.5 | Low | 46.6 | Very low | 185 Ų | 185 | 146.6 Ų | 146.6 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | -73.6 | 115.9 | 170.1 | -53.7 | -162.8 | -179.3 | 0 | 0 | 108.3 | ||||
| 123 | D | 46.7 | Very low | 47.5 | Very low | 151 Ų | 151 | 143.1 Ų | 143.1 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -147.9 | 122.4 | 163.3 | -89.6 | -44.5 | 0 | 0 | 0 | 111.4 | G121 | G121-D123 PolarHBondContact O-N 3.24Š| ||
| 124 | L | 56 | Low | 48.8 | Very low | 166 Ų | 166 | 145.5 Ų | 145.5 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | trans | -22.9 | 118.5 | 170.3 | -62.4 | 153.8 | 0 | 0 | 0 | 115.2 | S126 | L124-S126 PolarHBondContact O-N 2.91Š| ||
| 125 | K | 43.9 | Very low | 50.4 | Low | 197 Ų | 197 | 142.5 Ų | 142.5 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | -79.8 | 105.8 | 164.9 | -86.6 | -179.9 | 178.1 | 171.9 | 0 | 110.4 | ||||
| 126 | S | 48.2 | Very low | 51.8 | Low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -69.4 | 133.2 | 148.3 | 44.7 | 0 | 0 | 0 | 0 | 109.4 | L124 D128 | L124-S126 PolarHBondContact O-N 2.91Å; S126-D128 PolarHBondContact O-N 3.14Å | ||
| 127 | E | 51.8 | Low | 53.4 | Low | 186 Ų | 186 | 152.1 Ų | 152.1 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -73.4 | 111.9 | 175 | -68.1 | -89.9 | 112.2 | 0 | 0 | 109.1 | ||||
| 128 | D | 61.4 | Low | 55.2 | Low | 130 Ų | 130 | 154.7 Ų | 154.7 | 70% | 0.695 | 81% | 0.806 | S | S | * | * | trans | -112.3 | 117.9 | 167.9 | -177.4 | 6.4 | 0 | 0 | 0 | 108.4 | S126 D130 | S126-D128 PolarHBondContact O-N 3.14Å; D128-D130 VanDerWaalsContact C-N 3.31Å; D128-D130 PolarHBondContact O-N 2.95Å | ||
| 129 | P | 57.9 | Low | 57.6 | Low | 129 Ų | 129 | 160.5 Ų | 160.5 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -79.8 | 1.2 | -171.8 | 30.7 | -33.7 | 0 | 0 | 0 | 115.2 | ||
| 130 | D | 55.3 | Low | 59.5 | Low | 142 Ų | 142 | 161.1 Ų | 161.1 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -109.9 | 44.3 | -170.3 | -141.6 | 2.7 | 0 | 0 | 0 | 115.3 | D128 P132 | D128-D130 VanDerWaalsContact C-N 3.31Å; D128-D130 PolarHBondContact O-N 2.95Å; D130-P132 WeakPolarHBondContact O-CD 3.49Å | ||
| 131 | R | 58.4 | Low | 61.4 | Low | 195 Ų | 195 | 161.3 Ų | 161.3 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | -88.3 | 116.5 | 174.2 | -159.7 | 175.2 | -165.3 | -172.6 | 10.9 | 111.1 | A133 | R131-A133 PolarHBondContact O-N 3.32Š| ||
| 132 | P | 56.4 | Low | 64 | Low | 114 Ų | 114 | 169.1 Ų | 169.1 | 74% | 0.74 | 82% | 0.817 | S | S | * | * | trans | -60.3 | 128.4 | 178.8 | 22.5 | -31.9 | 0 | 0 | 0 | 110.7 | D130 K134 | D130-P132 WeakPolarHBondContact O-CD 3.49Å; P132-K134 PolarHBondContact O-N 3Å; P132-K134 VanDerWaalsContact O-N 3.08Å | ||
| 133 | A | 63.7 | Low | 65.9 | Low | 97 Ų | 97 | 166.1 Ų | 166.1 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -50.6 | 115.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R131 P135 | R131-A133 PolarHBondContact O-N 3.32Å; A133-P135 VanDerWaalsContact O-N 3.17Å | ||
| 134 | K | 64.9 | Low | 68.2 | Low | 157 Ų | 157 | 166.4 Ų | 166.4 | 68% | 0.683 | 81% | 0.812 | S | S | * | * | trans | -51.2 | 122.9 | 175.8 | -75.5 | 168.8 | 179.7 | 173.8 | 0 | 109.1 | P132 R136 | P132-K134 PolarHBondContact O-N 3Å; P132-K134 VanDerWaalsContact O-N 3.08Å; K134-R136 PolarHBondContact O-N 3.04Å; K134-R136 VanDerWaalsContact O-N 3.15Å | ||
| 135 | P | 66.3 | Low | 70.2 | Confident | 120 Ų | 120 | 161.5 Ų | 161.5 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -61.9 | 122.3 | -176.4 | 22.2 | -31.2 | 0 | 0 | 0 | 109.6 | A133 K137 | A133-P135 VanDerWaalsContact O-N 3.17Å; P135-K137 PolarHBondContact O-N 3.5Å | ||
| 136 | R | 69.6 | Low | 72.8 | Confident | 237 Ų | 237 | 154.8 Ų | 154.8 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | trans | -53.5 | 114.9 | 174.9 | -70 | 179.7 | 177.3 | 161.3 | -0.6 | 108.2 | K134 R138 | K134-R136 PolarHBondContact O-N 3.04Å; K134-R136 VanDerWaalsContact O-N 3.15Å; R136-R138 PolarHBondContact O-N 3.48Å | ||
| 137 | K | 71.9 | Confident | 75.2 | Confident | 209 Ų | 209 | 157.1 Ų | 157.1 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | -51 | 106.8 | -179.8 | -69.4 | 178.4 | 179.3 | -179.8 | 0 | 109.2 | P135 R139 | P135-K137 PolarHBondContact O-N 3.5Å; K137-R139 PolarHBondContact O-N 3.17Å | ||
| 138 | R | 77.9 | Confident | 77.4 | Confident | 241 Ų | 241 | 151.7 Ų | 151.7 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -60 | 134.3 | 179.8 | -61.1 | -175.5 | 100 | -173.1 | 6 | 108.8 | R136 | R136-R138 PolarHBondContact O-N 3.48Š|
| 139 | R | 83.7 | Confident | 79.2 | Confident | 237 Ų | 237 | 147.3 Ų | 147.3 | 89% | 0.894 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -62 | 143.5 | 179.7 | -62.9 | 176 | 77.2 | -175.7 | 6.6 | 109.3 | K137 | K137-R139 PolarHBondContact O-N 3.17Š|
| 140 | K | 81.2 | Confident | 81.1 | Confident | 193 Ų | 193 | 142.8 Ų | 142.8 | 84% | 0.839 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 137.2 | 177.7 | -79.4 | 88.9 | 165.1 | -169.9 | 0 | 110.2 | ||
| 141 | P | 86.3 | Confident | 83.2 | Confident | 116 Ų | 116 | 142.8 Ų | 142.8 | 75% | 0.753 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 147.8 | 174.8 | 25.9 | -33.2 | 0 | 0 | 0 | 110.7 | ||
| 142 | R | 91.4 | Very high | 85.1 | Confident | 241 Ų | 241 | 136.3 Ų | 136.3 | 91% | 0.909 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 128.7 | 175.1 | -67.7 | -176.7 | 179.9 | 174.7 | 0.4 | 108.7 | ||
| 143 | V | 91.4 | Very high | 87.1 | Confident | 123 Ų | 123 | 130.9 Ų | 130.9 | 75% | 0.745 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -94 | 132.2 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | ||
| 144 | L | 95.3 | Very high | 88.7 | Confident | 157 Ų | 157 | 129.1 Ų | 129.1 | 82% | 0.822 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 149.4 | 174 | -60.9 | 178.3 | 0 | 0 | 0 | 110 | ||
| 145 | F | 97.9 | Very high | 90.3 | Very high | 63 Ų | 63 | 127.7 Ų | 127.7 | 28% | 0.276 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -77.6 | 146.3 | 171.3 | -58.1 | -40.2 | 0 | 0 | 0 | 110.2 | Q149 V150 L153 L177 Q181 W185 | F145-Q149 HydrophobicContact CB-CB 4.25Å; F145-V150 HydrophobicContact CB-CG2 3.96Å; F145-L153 HydrophobicContact CD2-CD1 4.39Å; F145-L177 HydrophobicContact CD1-CD1 4.3Å; F145-L177 HydrophobicContact CD1-CD2 3.84Å; F145-L177 HydrophobicContact CE1-CD1 4.24Å; F145-L177 HydrophobicContact CE1-CD2 3.75Å; F145-Q181 HydrophobicContact CE1-CB 4.39Å; F145-Q181 HydrophobicContact CE1-CG 4.39Å; F145-Q181 HydrophobicContact CZ-CB 4Å; F145-Q181 HydrophobicContact CZ-CG 4.25Å; F145-W185 AromaticContact CD2-CD1 3.7Å; F145-W185 HydrophobicContact CE2-CB 4.24Å; F145-W185 AromaticContact CE2-CD1 3.62Å; F145-W185 HydrophobicContact CE2-CG 4.27Å |
| 146 | S | 98.3 | Very high | 91.9 | Very high | 56 Ų | 56 | 125.4 Ų | 125.4 | 39% | 0.392 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -66.4 | 159.5 | 173 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | A148 Q149 V150 | S146-A148 VanDerWaalsContact C-N 3.3Å; S146-A148 PolarHBondContact O-N 2.88Å; S146-Q149 WeakPolarHBondContact O-CB 3.17Å; S146-Q149 PolarHBondContact O-N 3.44Å; S146-Q149 WeakPolarHBondContact OG-CB 3.43Å; S146-Q149 VanDerWaalsContact OG-CD 3.29Å; S146-Q149 VanDerWaalsContact OG-CG 3.22Å; S146-Q149 WeakPolarHBondContact OG-CG 3.16Å; S146-Q149 PolarHBondContact OG-N 3.15Å; S146-Q149 PolarHBondContact OG-OE1 3.37Å; S146-V150 WeakPolarHBondContact O-CG2 3.42Å; S146-V150 PolarHBondContact O-N 3.03Å |
| 147 | Q | 98.2 | Very high | 93.3 | Very high | 157 Ų | 157 | 114.6 Ų | 114.6 | 73% | 0.734 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.7 | -38.2 | 179.9 | -170.5 | 62.6 | 11.3 | 0 | 0 | 112.5 | V150 Y151 | Q147-V150 PolarHBondContact O-N 3.23Å; Q147-Y151 WeakPolarHBondContact O-CB 3.42Å; Q147-Y151 PolarHBondContact O-N 3.49Å |
| 148 | A | 98 | Very high | 94.5 | Very high | 71 Ų | 71 | 112.4 Ų | 112.4 | 59% | 0.587 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -41.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S146 Y151 E152 | S146-A148 VanDerWaalsContact C-N 3.3Å; S146-A148 PolarHBondContact O-N 2.88Å; A148-Y151 PolarHBondContact O-N 3.37Å; A148-E152 PolarHBondContact O-N 2.76Å; A148-E152 VanDerWaalsContact O-N 3.15Å |
| 149 | Q | 98.6 | Very high | 95.5 | Very high | 39 Ų | 39 | 106.7 Ų | 106.7 | 18% | 0.182 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 174.8 | -73.5 | 167.6 | -35.3 | 0 | 0 | 111.4 | F145 S146 Y151 E152 L153 L175 | F145-Q149 HydrophobicContact CB-CB 4.25Å; S146-Q149 WeakPolarHBondContact O-CB 3.17Å; S146-Q149 PolarHBondContact O-N 3.44Å; S146-Q149 WeakPolarHBondContact OG-CB 3.43Å; S146-Q149 VanDerWaalsContact OG-CD 3.29Å; S146-Q149 VanDerWaalsContact OG-CG 3.22Å; S146-Q149 WeakPolarHBondContact OG-CG 3.16Å; S146-Q149 PolarHBondContact OG-N 3.15Å; S146-Q149 PolarHBondContact OG-OE1 3.37Å; Q149-Y151 VanDerWaalsContact C-N 3.33Å; Q149-Y151 PolarHBondContact O-N 2.91Å; Q149-E152 PolarHBondContact O-N 3.08Å; Q149-L153 WeakPolarHBondContact O-CB 3.39Å; Q149-L153 WeakPolarHBondContact O-CD1 3.47Å; Q149-L153 WeakPolarHBondContact O-CG 3.36Å; Q149-L153 PolarHBondContact O-N 2.86Å; Q149-L175 HydrophobicContact CG-CB 4.47Å; Q149-L175 PolarHBondContact NE2-O 2.92Å |
| 150 | V | 98.5 | Very high | 96.1 | Very high | 33 Ų | 33 | 98.1 Ų | 98.1 | 20% | 0.2 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 177.7 | 176.3 | 0 | 0 | 0 | 0 | 111 | F145 S146 Q147 L153 E154 | F145-V150 HydrophobicContact CB-CG2 3.96Å; S146-V150 WeakPolarHBondContact O-CG2 3.42Å; S146-V150 PolarHBondContact O-N 3.03Å; Q147-V150 PolarHBondContact O-N 3.23Å; V150-L153 PolarHBondContact O-N 3.15Å; V150-E154 HydrophobicContact CG1-CG 4.29Å; V150-E154 WeakPolarHBondContact O-CB 3.36Å; V150-E154 WeakPolarHBondContact O-CG 3.46Å; V150-E154 PolarHBondContact O-N 3.03Å |
| 151 | Y | 98.5 | Very high | 96.9 | Very high | 142 Ų | 142 | 93.2 Ų | 93.2 | 56% | 0.557 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -58.2 | -51.1 | 178.6 | 173 | -95 | 0 | 0 | 0 | 112.2 | Q147 A148 Q149 L153 E154 R155 | Q147-Y151 WeakPolarHBondContact O-CB 3.42Å; Q147-Y151 PolarHBondContact O-N 3.49Å; A148-Y151 PolarHBondContact O-N 3.37Å; Q149-Y151 VanDerWaalsContact C-N 3.33Å; Q149-Y151 PolarHBondContact O-N 2.91Å; Y151-L153 PolarHBondContact O-N 2.93Å; Y151-E154 PolarHBondContact O-N 3.08Å; Y151-R155 WeakPolarHBondContact O-CB 3.4Å; Y151-R155 PolarHBondContact O-N 3.15Å |
| 152 | E | 98.6 | Very high | 97.5 | Very high | 60 Ų | 60 | 95 Ų | 95 | 28% | 0.28 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.9 | -37.3 | 179.7 | -79.2 | -59.8 | 146.5 | 0 | 0 | 112.4 | A148 Q149 E154 R155 R156 L175 | A148-E152 PolarHBondContact O-N 2.76Å; A148-E152 VanDerWaalsContact O-N 3.15Å; Q149-E152 PolarHBondContact O-N 3.08Å; E152-E154 VanDerWaalsContact C-N 3.34Å; E152-E154 PolarHBondContact O-N 3.35Å; E152-R155 PolarHBondContact O-N 3.36Å; E152-R155 IonicContact OE1-NH1 3.14Å; E152-R155 PolarHBondContact OE1-NH1 3.47Å; E152-R155 VanDerWaalsContact OE1-NH1 3.14Å; E152-R155 IonicContact OE2-NH1 3.65Å; E152-R156 PolarHBondContact O-N 3.25Å; E152-L175 HydrophobicContact CB-CD1 4.25Å; E152-L175 HydrophobicContact CB-CD2 3.56Å; E152-L175 HydrophobicContact CB-CG 4.5Å; E152-L175 HydrophobicContact CG-CD2 4.03Å |
| 153 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 172.2 | -72.8 | 165.8 | 0 | 0 | 0 | 111.4 | F145 Q149 V150 Y151 F157 L171 L175 L177 V182 W185 F186 | F145-L153 HydrophobicContact CD2-CD1 4.39Å; Q149-L153 WeakPolarHBondContact O-CB 3.39Å; Q149-L153 WeakPolarHBondContact O-CD1 3.47Å; Q149-L153 WeakPolarHBondContact O-CG 3.36Å; Q149-L153 PolarHBondContact O-N 2.86Å; V150-L153 PolarHBondContact O-N 3.15Å; Y151-L153 PolarHBondContact O-N 2.93Å; L153-F157 VanDerWaalsContact O-CB 3.25Å; L153-F157 WeakPolarHBondContact O-CB 3.39Å; L153-F157 PolarHBondContact O-N 3.28Å; L153-L171 HydrophobicContact CD2-CD2 4.05Å; L153-L175 HydrophobicContact CD1-CD1 4.49Å; L153-L175 HydrophobicContact CD2-CD1 3.79Å; L153-L175 HydrophobicContact CG-CD1 3.67Å; L153-L177 HydrophobicContact CD1-CD1 4.2Å; L153-V182 HydrophobicContact CD2-CG1 4.37Å; L153-W185 HydrophobicContact CB-CD2 3.89Å; L153-W185 HydrophobicContact CB-CE3 3.85Å; L153-W185 HydrophobicContact CB-CH2 3.63Å; L153-W185 HydrophobicContact CB-CZ2 3.64Å; L153-W185 HydrophobicContact CB-CZ3 3.74Å; L153-W185 HydrophobicContact CD1-CD2 3.83Å; L153-W185 HydrophobicContact CD1-CE3 4.47Å; L153-W185 HydrophobicContact CD1-CG 3.83Å; L153-W185 HydrophobicContact CD2-CD2 4.3Å; L153-W185 HydrophobicContact CD2-CE3 4.17Å; L153-W185 HydrophobicContact CG-CD2 4.23Å; L153-W185 HydrophobicContact CG-CE3 4.39Å; L153-F186 HydrophobicContact CD2-CE2 3.98Å |
| 154 | E | 98.5 | Very high | 98.2 | Very high | 60 Ų | 60 | 81.3 Ų | 81.3 | 28% | 0.28 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 176.7 | -72.9 | -164.5 | 153.5 | 0 | 0 | 112.7 | V150 Y151 E152 F157 K158 W185 R189 | V150-E154 HydrophobicContact CG1-CG 4.29Å; V150-E154 WeakPolarHBondContact O-CB 3.36Å; V150-E154 WeakPolarHBondContact O-CG 3.46Å; V150-E154 PolarHBondContact O-N 3.03Å; Y151-E154 PolarHBondContact O-N 3.08Å; E152-E154 VanDerWaalsContact C-N 3.34Å; E152-E154 PolarHBondContact O-N 3.35Å; E154-F157 PolarHBondContact O-N 3.19Å; E154-K158 WeakPolarHBondContact O-CG 3.42Å; E154-K158 PolarHBondContact O-N 3.42Å; E154-W185 HydrophobicContact CB-CH2 4.41Å; E154-W185 HydrophobicContact CG-CH2 3.71Å; E154-W185 HydrophobicContact CG-CZ2 3.73Å; E154-R189 IonicContact OE1-CZ 3.48Å; E154-R189 IonicContact OE1-NH1 2.76Å; E154-R189 PolarHBondContact OE1-NH1 3.49Å; E154-R189 IonicContact OE1-NH2 3.81Å |
| 155 | R | 98.6 | Very high | 98.3 | Very high | 126 Ų | 126 | 76.1 Ų | 76.1 | 48% | 0.475 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.2 | -51.4 | 175 | -177.8 | -174.6 | 178.3 | -168.8 | 0.4 | 110.8 | Y151 E152 F157 K158 Q159 | Y151-R155 WeakPolarHBondContact O-CB 3.4Å; Y151-R155 PolarHBondContact O-N 3.15Å; E152-R155 PolarHBondContact O-N 3.36Å; E152-R155 IonicContact OE1-NH1 3.14Å; E152-R155 PolarHBondContact OE1-NH1 3.47Å; E152-R155 VanDerWaalsContact OE1-NH1 3.14Å; E152-R155 IonicContact OE2-NH1 3.65Å; R155-F157 VanDerWaalsContact C-N 3.33Å; R155-F157 PolarHBondContact O-N 3.49Å; R155-K158 PolarHBondContact O-N 2.91Å; R155-Q159 PolarHBondContact O-N 3.45Å |
| 156 | R | 98.4 | Very high | 98.3 | Very high | 73 Ų | 73 | 77.5 Ų | 77.5 | 28% | 0.275 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 177.1 | -171.7 | 62.2 | 178.5 | 172.1 | 0.4 | 111.8 | E152 K158 Q159 Q160 L163 E167 L171 F186 | E152-R156 PolarHBondContact O-N 3.25Å; R156-K158 VanDerWaalsContact C-N 3.3Å; R156-K158 PolarHBondContact O-N 3.34Å; R156-Q159 WeakPolarHBondContact O-CB 3.47Å; R156-Q159 PolarHBondContact O-N 2.82Å; R156-Q159 VanDerWaalsContact O-N 3.14Å; R156-Q160 PolarHBondContact O-N 3.47Å; R156-L163 HydrophobicContact CG-CD2 4.14Å; R156-E167 IonicContact NH2-OE1 3.16Å; R156-E167 PolarHBondContact NH2-OE1 2.96Å; R156-E167 VanDerWaalsContact NH2-OE1 3.16Å; R156-L171 HydrophobicContact CB-CD2 4.28Å; R156-L171 HydrophobicContact CG-CD2 4.1Å; R156-F186 HydrophobicContact CB-CZ 4.38Å; R156-F186 HydrophobicContact CG-CZ 4.24Å |
| 157 | F | 98.6 | Very high | 98.3 | Very high | 10 Ų | 10 | 77.3 Ų | 77.3 | 4% | 0.044 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.3 | -31.1 | 176.9 | -176.4 | -98.7 | 0 | 0 | 0 | 113.6 | L153 E154 R155 Q159 Q160 K161 W185 F186 R189 R190 | L153-F157 VanDerWaalsContact O-CB 3.25Å; L153-F157 WeakPolarHBondContact O-CB 3.39Å; L153-F157 PolarHBondContact O-N 3.28Å; E154-F157 PolarHBondContact O-N 3.19Å; R155-F157 VanDerWaalsContact C-N 3.33Å; R155-F157 PolarHBondContact O-N 3.49Å; F157-Q159 VanDerWaalsContact C-N 3.31Å; F157-Q160 WeakPolarHBondContact CA-O 3.25Å; F157-K161 HydrophobicContact CD1-CD 4.04Å; F157-K161 HydrophobicContact CD2-CD 4.23Å; F157-K161 HydrophobicContact CE1-CD 3.52Å; F157-K161 HydrophobicContact CE2-CB 4.29Å; F157-K161 HydrophobicContact CE2-CD 3.72Å; F157-K161 HydrophobicContact CG-CD 4.38Å; F157-K161 HydrophobicContact CZ-CD 3.35Å; F157-K161 WeakPolarHBondContact O-CD 3.36Å; F157-K161 WeakPolarHBondContact O-CE 3.21Å; F157-K161 PolarHBondContact O-NZ 3Å; F157-W185 HydrophobicContact CB-CH2 4.33Å; F157-W185 HydrophobicContact CB-CZ3 4.04Å; F157-W185 HydrophobicContact CD2-CZ3 4.49Å; F157-W185 HydrophobicContact CG-CZ3 4.4Å; F157-F186 HydrophobicContact CB-CE1 4.19Å; F157-F186 HydrophobicContact CB-CZ 4.32Å; F157-F186 AromaticContact CD2-CD1 3.82Å; F157-F186 HydrophobicContact CD2-CD1 3.82Å; F157-F186 AromaticContact CD2-CE1 3.83Å; F157-F186 HydrophobicContact CD2-CE1 3.83Å; F157-F186 HydrophobicContact CE2-CD1 4.49Å; F157-R189 HydrophobicContact CD1-CG 3.64Å; F157-R189 HydrophobicContact CD2-CB 4.3Å; F157-R189 HydrophobicContact CD2-CG 3.81Å; F157-R189 HydrophobicContact CE1-CG 3.53Å; F157-R189 HydrophobicContact CE2-CB 4.1Å; F157-R189 HydrophobicContact CE2-CG 3.71Å; F157-R189 HydrophobicContact CG-CG 3.77Å; F157-R189 HydrophobicContact CZ-CB 4.29Å; F157-R189 HydrophobicContact CZ-CG 3.56Å; F157-R190 HydrophobicContact CE2-CG 3.8Å; F157-R190 HydrophobicContact CZ-CG 4.15Å |
| 158 | K | 98.1 | Very high | 98.4 | Very high | 162 Ų | 162 | 72.6 Ų | 72.6 | 70% | 0.704 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64 | -40.1 | 173.5 | -74.3 | 174 | -176.9 | 179.8 | 0 | 111 | E154 R155 R156 | E154-K158 WeakPolarHBondContact O-CG 3.42Å; E154-K158 PolarHBondContact O-N 3.42Å; R155-K158 PolarHBondContact O-N 2.91Å; R156-K158 VanDerWaalsContact C-N 3.3Å; R156-K158 PolarHBondContact O-N 3.34Å |
| 159 | Q | 98.1 | Very high | 98.4 | Very high | 122 Ų | 122 | 73.3 Ų | 73.3 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -70.8 | -45 | 177.2 | -61.1 | 170.4 | -6.1 | 0 | 0 | 111.9 | R155 R156 F157 | R155-Q159 PolarHBondContact O-N 3.45Å; R156-Q159 WeakPolarHBondContact O-CB 3.47Å; R156-Q159 PolarHBondContact O-N 2.82Å; R156-Q159 VanDerWaalsContact O-N 3.14Å; F157-Q159 VanDerWaalsContact C-N 3.31Å |
| 160 | Q | 98 | Very high | 98.4 | Very high | 57 Ų | 57 | 78.1 Ų | 78.1 | 27% | 0.266 | 37% | 0.367 | S | S | . | . | trans | -146.5 | 120.8 | -171.6 | -172.3 | 176.4 | -24.7 | 0 | 0 | 111.3 | R156 F157 Y162 L163 E167 | R156-Q160 PolarHBondContact O-N 3.47Å; F157-Q160 WeakPolarHBondContact CA-O 3.25Å; Q160-Y162 VanDerWaalsContact C-N 3.34Å; Q160-Y162 WeakPolarHBondContact CG-O 3.44Å; Q160-Y162 PolarHBondContact NE2-O 3.05Å; Q160-L163 HydrophobicContact CB-CD2 4.38Å; Q160-L163 HydrophobicContact CG-CD2 4.27Å; Q160-E167 PolarHBondContact NE2-OE1 3.29Å; Q160-E167 VanDerWaalsContact NE2-OE1 3.12Å; Q160-E167 PolarHBondContact NE2-OE2 3.48Å; Q160-E167 PolarHBondContact OE1-OE1 2.89Å; Q160-E167 VanDerWaalsContact OE1-OE1 3.04Å | ||
| 161 | K | 97.8 | Very high | 98.4 | Very high | 90 Ų | 90 | 77.3 Ų | 77.3 | 39% | 0.391 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -77.3 | -20.6 | -176 | -57.1 | -63.2 | 171.6 | -152.6 | 0 | 113.7 | F157 R190 | F157-K161 HydrophobicContact CD1-CD 4.04Å; F157-K161 HydrophobicContact CD2-CD 4.23Å; F157-K161 HydrophobicContact CE1-CD 3.52Å; F157-K161 HydrophobicContact CE2-CB 4.29Å; F157-K161 HydrophobicContact CE2-CD 3.72Å; F157-K161 HydrophobicContact CG-CD 4.38Å; F157-K161 HydrophobicContact CZ-CD 3.35Å; F157-K161 WeakPolarHBondContact O-CD 3.36Å; F157-K161 WeakPolarHBondContact O-CE 3.21Å; F157-K161 PolarHBondContact O-NZ 3Å; K161-R190 WeakPolarHBondContact O-CD 3.45Å |
| 162 | Y | 98.3 | Very high | 98.4 | Very high | 153 Ų | 153 | 70.8 Ų | 70.8 | 60% | 0.6 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -135.8 | 118.6 | -175.6 | -63.1 | -95 | 0 | 0 | 0 | 109.2 | Q160 R190 | Q160-Y162 VanDerWaalsContact C-N 3.34Å; Q160-Y162 WeakPolarHBondContact CG-O 3.44Å; Q160-Y162 PolarHBondContact NE2-O 3.05Å; Y162-R190 VanDerWaalsContact CE1-CD 3.44Å |
| 163 | L | 98.3 | Very high | 98.4 | Very high | 24 Ų | 24 | 70 Ų | 70 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | trans | -96 | 140.5 | 177.1 | -63 | 178.8 | 0 | 0 | 0 | 110.8 | R156 Q160 E167 R168 L171 V182 F186 | R156-L163 HydrophobicContact CG-CD2 4.14Å; Q160-L163 HydrophobicContact CB-CD2 4.38Å; Q160-L163 HydrophobicContact CG-CD2 4.27Å; L163-E167 HydrophobicContact CB-CB 4.32Å; L163-E167 HydrophobicContact CD2-CB 4.25Å; L163-R168 HydrophobicContact CB-CG 3.5Å; L163-R168 HydrophobicContact CD1-CG 3.95Å; L163-R168 HydrophobicContact CG-CG 4.39Å; L163-L171 HydrophobicContact CD1-CD2 3.82Å; L163-V182 HydrophobicContact CD1-CG1 4.2Å; L163-F186 HydrophobicContact CD1-CD1 4.24Å; L163-F186 HydrophobicContact CD1-CD2 4.14Å; L163-F186 HydrophobicContact CD1-CE1 3.69Å; L163-F186 HydrophobicContact CD1-CE2 3.58Å; L163-F186 HydrophobicContact CD1-CG 4.45Å; L163-F186 HydrophobicContact CD1-CZ 3.35Å; L163-F186 HydrophobicContact CD2-CE1 4.29Å; L163-F186 HydrophobicContact CD2-CZ 4.43Å; L163-F186 HydrophobicContact CG-CD1 4.08Å; L163-F186 HydrophobicContact CG-CE1 3.6Å; L163-F186 HydrophobicContact CG-CE2 4.41Å; L163-F186 HydrophobicContact CG-CZ 3.8Å | ||
| 164 | S | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 74.3 Ų | 74.3 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | trans | -69.3 | 172.4 | 167.3 | 66.5 | 0 | 0 | 0 | 0 | 111.3 | E167 R168 | S164-E167 VanDerWaalsContact CB-OE2 3.28Å; S164-E167 WeakPolarHBondContact CB-OE2 3.27Å; S164-E167 PolarHBondContact N-OE2 3.01Å; S164-E167 WeakPolarHBondContact OG-CG 3.43Å; S164-E167 PolarHBondContact OG-OE2 3.25Å; S164-R168 VanDerWaalsContact O-CG 3.31Å; S164-R168 WeakPolarHBondContact O-CG 3.44Å; S164-R168 PolarHBondContact O-N 3.43Å; S164-R168 PolarHBondContact O-NE 3.44Å | ||
| 165 | A | 98.3 | Very high | 98.3 | Very high | 49 Ų | 49 | 72.2 Ų | 72.2 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.5 | -56.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | E167 R168 D169 | A165-E167 VanDerWaalsContact C-N 3.3Å; A165-E167 PolarHBondContact O-N 2.93Å; A165-R168 WeakPolarHBondContact O-CB 3.31Å; A165-R168 PolarHBondContact O-N 3.03Å; A165-R168 VanDerWaalsContact O-N 3.1Å; A165-D169 PolarHBondContact O-N 3.12Å; A165-D169 VanDerWaalsContact O-N 3.1Å |
| 166 | P | 98.4 | Very high | 98.3 | Very high | 91 Ų | 91 | 74.7 Ų | 74.7 | 59% | 0.591 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.9 | -35.2 | -176.8 | 24.1 | -35.1 | 0 | 0 | 0 | 113.1 | R168 D169 H170 | P166-R168 VanDerWaalsContact C-N 3.34Å; P166-R168 PolarHBondContact O-N 3.04Å; P166-D169 PolarHBondContact O-N 3.5Å; P166-H170 PolarHBondContact O-N 3.44Å |
| 167 | E | 98.4 | Very high | 98.3 | Very high | 53 Ų | 53 | 72.2 Ų | 72.2 | 25% | 0.248 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 177.1 | -67 | 172.9 | 116 | 0 | 0 | 112.6 | R156 Q160 L163 S164 A165 L171 | R156-E167 IonicContact NH2-OE1 3.16Å; R156-E167 PolarHBondContact NH2-OE1 2.96Å; R156-E167 VanDerWaalsContact NH2-OE1 3.16Å; Q160-E167 PolarHBondContact NE2-OE1 3.29Å; Q160-E167 VanDerWaalsContact NE2-OE1 3.12Å; Q160-E167 PolarHBondContact NE2-OE2 3.48Å; Q160-E167 PolarHBondContact OE1-OE1 2.89Å; Q160-E167 VanDerWaalsContact OE1-OE1 3.04Å; L163-E167 HydrophobicContact CB-CB 4.32Å; L163-E167 HydrophobicContact CD2-CB 4.25Å; S164-E167 VanDerWaalsContact CB-OE2 3.28Å; S164-E167 WeakPolarHBondContact CB-OE2 3.27Å; S164-E167 PolarHBondContact N-OE2 3.01Å; S164-E167 WeakPolarHBondContact OG-CG 3.43Å; S164-E167 PolarHBondContact OG-OE2 3.25Å; A165-E167 VanDerWaalsContact C-N 3.3Å; A165-E167 PolarHBondContact O-N 2.93Å; E167-L171 WeakPolarHBondContact O-CB 3.37Å; E167-L171 PolarHBondContact O-N 3.09Å |
| 168 | R | 98.6 | Very high | 98.3 | Very high | 58 Ų | 58 | 75 Ų | 75 | 22% | 0.219 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 174.6 | -74.1 | -178.5 | -67.1 | 144.9 | -0.5 | 111.1 | L163 S164 A165 P166 H170 L171 A172 V182 | L163-R168 HydrophobicContact CB-CG 3.5Å; L163-R168 HydrophobicContact CD1-CG 3.95Å; L163-R168 HydrophobicContact CG-CG 4.39Å; S164-R168 VanDerWaalsContact O-CG 3.31Å; S164-R168 WeakPolarHBondContact O-CG 3.44Å; S164-R168 PolarHBondContact O-N 3.43Å; S164-R168 PolarHBondContact O-NE 3.44Å; A165-R168 WeakPolarHBondContact O-CB 3.31Å; A165-R168 PolarHBondContact O-N 3.03Å; A165-R168 VanDerWaalsContact O-N 3.1Å; P166-R168 VanDerWaalsContact C-N 3.34Å; P166-R168 PolarHBondContact O-N 3.04Å; R168-H170 VanDerWaalsContact C-N 3.34Å; R168-L171 PolarHBondContact O-N 3.39Å; R168-A172 WeakPolarHBondContact O-CB 3.48Å; R168-A172 PolarHBondContact O-N 3.33Å; R168-V182 HydrophobicContact CB-CG1 4.49Å; R168-V182 HydrophobicContact CG-CG1 4.21Å |
| 169 | D | 98.6 | Very high | 98.3 | Very high | 86 Ų | 86 | 69.6 Ų | 69.6 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 179.6 | -62.9 | -25.7 | 0 | 0 | 0 | 110.9 | A165 P166 A172 G173 P179 | A165-D169 PolarHBondContact O-N 3.12Å; A165-D169 VanDerWaalsContact O-N 3.1Å; P166-D169 PolarHBondContact O-N 3.5Å; D169-A172 PolarHBondContact O-N 3.15Å; D169-G173 PolarHBondContact O-N 3.05Å; D169-P179 VanDerWaalsContact OD1-CB 3.27Å; D169-P179 WeakPolarHBondContact OD1-CB 3.15Å; D169-P179 WeakPolarHBondContact OD1-CG 3.3Å |
| 170 | H | 98.6 | Very high | 98.3 | Very high | 140 Ų | 140 | 67.9 Ų | 67.9 | 65% | 0.648 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -61 | -50.9 | 173.7 | -177.9 | 71.9 | 0 | 0 | 0 | 112.3 | P166 R168 A172 G173 V174 | P166-H170 PolarHBondContact O-N 3.44Å; R168-H170 VanDerWaalsContact C-N 3.34Å; H170-A172 VanDerWaalsContact C-N 3.3Å; H170-A172 PolarHBondContact O-N 3.37Å; H170-G173 PolarHBondContact O-N 3.27Å; H170-G173 VanDerWaalsContact O-N 3.11Å; H170-V174 PolarHBondContact O-N 3.4Å; H170-V174 VanDerWaalsContact O-N 3.15Å |
| 171 | L | 98.4 | Very high | 98.3 | Very high | 16 Ų | 16 | 68.3 Ų | 68.3 | 8% | 0.084 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.8 | -38 | -179.6 | -173.7 | 62.7 | 0 | 0 | 0 | 112.2 | L153 R156 L163 E167 R168 G173 V174 L175 V182 F186 | L153-L171 HydrophobicContact CD2-CD2 4.05Å; R156-L171 HydrophobicContact CB-CD2 4.28Å; R156-L171 HydrophobicContact CG-CD2 4.1Å; L163-L171 HydrophobicContact CD1-CD2 3.82Å; E167-L171 WeakPolarHBondContact O-CB 3.37Å; E167-L171 PolarHBondContact O-N 3.09Å; R168-L171 PolarHBondContact O-N 3.39Å; L171-G173 VanDerWaalsContact C-N 3.32Å; L171-G173 PolarHBondContact O-N 3.37Å; L171-V174 PolarHBondContact O-N 3.37Å; L171-L175 HydrophobicContact CD1-CD1 3.88Å; L171-L175 HydrophobicContact CD1-CG 4.17Å; L171-L175 HydrophobicContact CG-CD1 3.98Å; L171-L175 HydrophobicContact CG-CG 4.48Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.37Å; L171-V182 HydrophobicContact CD2-CG1 3.93Å; L171-F186 HydrophobicContact CD2-CE2 3.94Å; L171-F186 HydrophobicContact CD2-CZ 4.28Å |
| 172 | A | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R168 D169 H170 V174 L175 K176 L177 P179 V182 | R168-A172 WeakPolarHBondContact O-CB 3.48Å; R168-A172 PolarHBondContact O-N 3.33Å; D169-A172 PolarHBondContact O-N 3.15Å; H170-A172 VanDerWaalsContact C-N 3.3Å; H170-A172 PolarHBondContact O-N 3.37Å; A172-V174 PolarHBondContact O-N 3.11Å; A172-L175 PolarHBondContact O-N 3.02Å; A172-K176 WeakPolarHBondContact O-CA 3.2Å; A172-K176 PolarHBondContact O-N 3.05Å; A172-L177 CarbonylContact C-O 3.55Å; A172-L177 VanDerWaalsContact CB-O 3.3Å; A172-L177 WeakPolarHBondContact CB-O 3.48Å; A172-L177 PolarHBondContact O-N 3.46Å; A172-P179 HydrophobicContact CB-CG 4.01Å; A172-V182 HydrophobicContact CB-CG2 4.1Å |
| 173 | G | 98.3 | Very high | 98.3 | Very high | 44 Ų | 44 | 62 Ų | 62 | 45% | 0.454 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D169 H170 L171 | D169-G173 PolarHBondContact O-N 3.05Å; H170-G173 PolarHBondContact O-N 3.27Å; H170-G173 VanDerWaalsContact O-N 3.11Å; L171-G173 VanDerWaalsContact C-N 3.32Å; L171-G173 PolarHBondContact O-N 3.37Å |
| 174 | V | 97.9 | Very high | 98.4 | Very high | 90 Ų | 90 | 64.8 Ų | 64.8 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.9 | -44.7 | 177.8 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | H170 L171 A172 K176 | H170-V174 PolarHBondContact O-N 3.4Å; H170-V174 VanDerWaalsContact O-N 3.15Å; L171-V174 PolarHBondContact O-N 3.37Å; A172-V174 PolarHBondContact O-N 3.11Å; V174-K176 PolarHBondContact O-N 2.99Å |
| 175 | L | 97.9 | Very high | 98.4 | Very high | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -88.5 | -0.1 | -174.1 | -59.2 | -177.4 | 0 | 0 | 0 | 114.6 | Q149 E152 L153 L171 A172 L177 | Q149-L175 HydrophobicContact CG-CB 4.47Å; Q149-L175 PolarHBondContact NE2-O 2.92Å; E152-L175 HydrophobicContact CB-CD1 4.25Å; E152-L175 HydrophobicContact CB-CD2 3.56Å; E152-L175 HydrophobicContact CB-CG 4.5Å; E152-L175 HydrophobicContact CG-CD2 4.03Å; L153-L175 HydrophobicContact CD1-CD1 4.49Å; L153-L175 HydrophobicContact CD2-CD1 3.79Å; L153-L175 HydrophobicContact CG-CD1 3.67Å; L171-L175 HydrophobicContact CD1-CD1 3.88Å; L171-L175 HydrophobicContact CD1-CG 4.17Å; L171-L175 HydrophobicContact CG-CD1 3.98Å; L171-L175 HydrophobicContact CG-CG 4.48Å; L171-L175 WeakPolarHBondContact O-CG 3.41Å; L171-L175 PolarHBondContact O-N 3.37Å; A172-L175 PolarHBondContact O-N 3.02Å; L175-L177 HydrophobicContact CB-CD1 4.19Å; L175-L177 HydrophobicContact CB-CG 4.11Å; L175-L177 PolarHBondContact O-N 3.14Å |
| 176 | K | 98.3 | Very high | 98.4 | Very high | 178 Ų | 178 | 61.8 Ų | 61.8 | 77% | 0.774 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 41.1 | -173.1 | -52.8 | -58.4 | -178.7 | -167.7 | 0 | 112 | A172 V174 | A172-K176 WeakPolarHBondContact O-CA 3.2Å; A172-K176 PolarHBondContact O-N 3.05Å; V174-K176 PolarHBondContact O-N 2.99Å |
| 177 | L | 97.9 | Very high | 98.4 | Very high | 22 Ų | 22 | 60.6 Ų | 60.6 | 12% | 0.115 | 31% | 0.314 | C | S | . | . | trans | -111.4 | 166.9 | 174.2 | -65 | -179.7 | 0 | 0 | 0 | 109.6 | F145 L153 A172 L175 Q181 V182 | F145-L177 HydrophobicContact CD1-CD1 4.3Å; F145-L177 HydrophobicContact CD1-CD2 3.84Å; F145-L177 HydrophobicContact CE1-CD1 4.24Å; F145-L177 HydrophobicContact CE1-CD2 3.75Å; L153-L177 HydrophobicContact CD1-CD1 4.2Å; A172-L177 CarbonylContact C-O 3.55Å; A172-L177 VanDerWaalsContact CB-O 3.3Å; A172-L177 WeakPolarHBondContact CB-O 3.48Å; A172-L177 PolarHBondContact O-N 3.46Å; L175-L177 HydrophobicContact CB-CD1 4.19Å; L175-L177 HydrophobicContact CB-CG 4.11Å; L175-L177 PolarHBondContact O-N 3.14Å; L177-Q181 HydrophobicContact CB-CB 4.43Å; L177-V182 HydrophobicContact CB-CG2 4.26Å | ||
| 178 | T | 98.4 | Very high | 98.4 | Very high | 68 Ų | 68 | 62.6 Ų | 62.6 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | trans | -82.6 | 149 | 169.5 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | T180 Q181 V182 | T178-T180 PolarHBondContact O-N 3.1Å; T178-T180 VanDerWaalsContact O-N 3.09Å; T178-Q181 WeakPolarHBondContact O-CB 3.35Å; T178-Q181 PolarHBondContact O-N 2.87Å; T178-Q181 WeakPolarHBondContact OG1-CB 3.32Å; T178-Q181 VanDerWaalsContact OG1-CD 3.29Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.39Å; T178-Q181 PolarHBondContact OG1-N 2.82Å; T178-Q181 PolarHBondContact OG1-OE1 3.26Å; T178-V182 PolarHBondContact O-N 3.29Å; T178-V182 VanDerWaalsContact O-N 3.1Å | ||
| 179 | P | 98.3 | Very high | 98.3 | Very high | 48 Ų | 48 | 63.2 Ų | 63.2 | 31% | 0.312 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -55.1 | -30.9 | 174.6 | -26.7 | 34.8 | 0 | 0 | 0 | 113.1 | D169 A172 K183 | D169-P179 VanDerWaalsContact OD1-CB 3.27Å; D169-P179 WeakPolarHBondContact OD1-CB 3.15Å; D169-P179 WeakPolarHBondContact OD1-CG 3.3Å; A172-P179 HydrophobicContact CB-CG 4.01Å; P179-K183 WeakPolarHBondContact O-CB 3.34Å; P179-K183 PolarHBondContact O-N 3.18Å |
| 180 | T | 98.4 | Very high | 98.3 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -68.4 | -42 | 174.6 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | T178 V182 K183 I184 | T178-T180 PolarHBondContact O-N 3.1Å; T178-T180 VanDerWaalsContact O-N 3.09Å; T180-V182 VanDerWaalsContact C-N 3.34Å; T180-K183 WeakPolarHBondContact O-CB 3.44Å; T180-K183 PolarHBondContact O-N 3.36Å; T180-I184 HydrophobicContact CG2-CD1 3.96Å; T180-I184 HydrophobicContact CG2-CG1 4.49Å; T180-I184 VanDerWaalsContact O-CG1 3.32Å; T180-I184 WeakPolarHBondContact O-CG1 3.32Å; T180-I184 PolarHBondContact O-N 3.09Å |
| 181 | Q | 98.2 | Very high | 98.3 | Very high | 66 Ų | 66 | 62.7 Ų | 62.7 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 174.2 | -78.4 | 164.7 | -42.5 | 0 | 0 | 111.3 | F145 L177 T178 I184 W185 | F145-Q181 HydrophobicContact CE1-CB 4.39Å; F145-Q181 HydrophobicContact CE1-CG 4.39Å; F145-Q181 HydrophobicContact CZ-CB 4Å; F145-Q181 HydrophobicContact CZ-CG 4.25Å; L177-Q181 HydrophobicContact CB-CB 4.43Å; T178-Q181 WeakPolarHBondContact O-CB 3.35Å; T178-Q181 PolarHBondContact O-N 2.87Å; T178-Q181 WeakPolarHBondContact OG1-CB 3.32Å; T178-Q181 VanDerWaalsContact OG1-CD 3.29Å; T178-Q181 WeakPolarHBondContact OG1-CG 3.39Å; T178-Q181 PolarHBondContact OG1-N 2.82Å; T178-Q181 PolarHBondContact OG1-OE1 3.26Å; Q181-I184 PolarHBondContact O-N 2.89Å; Q181-W185 WeakPolarHBondContact O-CB 3.39Å; Q181-W185 PolarHBondContact O-N 2.96Å |
| 182 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | 174 | 178 | 0 | 0 | 0 | 0 | 110.4 | L153 L163 R168 L171 A172 L177 T178 T180 I184 W185 F186 | L153-V182 HydrophobicContact CD2-CG1 4.37Å; L163-V182 HydrophobicContact CD1-CG1 4.2Å; R168-V182 HydrophobicContact CB-CG1 4.49Å; R168-V182 HydrophobicContact CG-CG1 4.21Å; L171-V182 HydrophobicContact CD2-CG1 3.93Å; A172-V182 HydrophobicContact CB-CG2 4.1Å; L177-V182 HydrophobicContact CB-CG2 4.26Å; T178-V182 PolarHBondContact O-N 3.29Å; T178-V182 VanDerWaalsContact O-N 3.1Å; T180-V182 VanDerWaalsContact C-N 3.34Å; V182-I184 PolarHBondContact O-N 3.44Å; V182-W185 PolarHBondContact O-N 2.93Å; V182-F186 HydrophobicContact CG1-CD2 3.85Å; V182-F186 HydrophobicContact CG1-CE2 3.95Å; V182-F186 WeakPolarHBondContact O-CD2 3.38Å; V182-F186 PolarHBondContact O-N 2.87Å |
| 183 | K | 98.4 | Very high | 97.9 | Very high | 111 Ų | 111 | 70.1 Ų | 70.1 | 48% | 0.483 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -55.1 | -51.3 | 175.6 | -175.8 | -171 | 179.2 | -180 | 0 | 112 | P179 T180 W185 F186 Q187 | P179-K183 WeakPolarHBondContact O-CB 3.34Å; P179-K183 PolarHBondContact O-N 3.18Å; T180-K183 WeakPolarHBondContact O-CB 3.44Å; T180-K183 PolarHBondContact O-N 3.36Å; K183-W185 VanDerWaalsContact C-N 3.35Å; K183-F186 PolarHBondContact O-N 2.82Å; K183-Q187 WeakPolarHBondContact O-CB 3.11Å; K183-Q187 PolarHBondContact O-N 3.45Å |
| 184 | I | 98.4 | Very high | 97.7 | Very high | 82 Ų | 82 | 73.6 Ų | 73.6 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | -179.2 | -69.1 | 168.3 | 0 | 0 | 0 | 110.3 | T180 Q181 V182 Q187 N188 | T180-I184 HydrophobicContact CG2-CD1 3.96Å; T180-I184 HydrophobicContact CG2-CG1 4.49Å; T180-I184 VanDerWaalsContact O-CG1 3.32Å; T180-I184 WeakPolarHBondContact O-CG1 3.32Å; T180-I184 PolarHBondContact O-N 3.09Å; Q181-I184 PolarHBondContact O-N 2.89Å; V182-I184 PolarHBondContact O-N 3.44Å; I184-Q187 PolarHBondContact O-N 3.43Å; I184-N188 WeakPolarHBondContact O-CB 3.45Å; I184-N188 VanDerWaalsContact O-CG 3.27Å; I184-N188 PolarHBondContact O-N 2.9Å; I184-N188 PolarHBondContact O-ND2 2.97Å |
| 185 | W | 98.4 | Very high | 97.5 | Very high | 31 Ų | 31 | 77 Ų | 77 | 12% | 0.117 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 178.4 | -171.2 | 97 | 0 | 0 | 0 | 111.6 | F145 L153 E154 F157 Q181 V182 K183 Q187 N188 R189 | F145-W185 AromaticContact CD2-CD1 3.7Å; F145-W185 HydrophobicContact CE2-CB 4.24Å; F145-W185 AromaticContact CE2-CD1 3.62Å; F145-W185 HydrophobicContact CE2-CG 4.27Å; L153-W185 HydrophobicContact CB-CD2 3.89Å; L153-W185 HydrophobicContact CB-CE3 3.85Å; L153-W185 HydrophobicContact CB-CH2 3.63Å; L153-W185 HydrophobicContact CB-CZ2 3.64Å; L153-W185 HydrophobicContact CB-CZ3 3.74Å; L153-W185 HydrophobicContact CD1-CD2 3.83Å; L153-W185 HydrophobicContact CD1-CE3 4.47Å; L153-W185 HydrophobicContact CD1-CG 3.83Å; L153-W185 HydrophobicContact CD2-CD2 4.3Å; L153-W185 HydrophobicContact CD2-CE3 4.17Å; L153-W185 HydrophobicContact CG-CD2 4.23Å; L153-W185 HydrophobicContact CG-CE3 4.39Å; E154-W185 HydrophobicContact CB-CH2 4.41Å; E154-W185 HydrophobicContact CG-CH2 3.71Å; E154-W185 HydrophobicContact CG-CZ2 3.73Å; F157-W185 HydrophobicContact CB-CH2 4.33Å; F157-W185 HydrophobicContact CB-CZ3 4.04Å; F157-W185 HydrophobicContact CD2-CZ3 4.49Å; F157-W185 HydrophobicContact CG-CZ3 4.4Å; Q181-W185 WeakPolarHBondContact O-CB 3.39Å; Q181-W185 PolarHBondContact O-N 2.96Å; V182-W185 PolarHBondContact O-N 2.93Å; K183-W185 VanDerWaalsContact C-N 3.35Å; W185-Q187 VanDerWaalsContact C-N 3.3Å; W185-Q187 PolarHBondContact O-N 3.5Å; W185-N188 PolarHBondContact O-N 3.02Å; W185-R189 HydrophobicContact CE3-CB 4.11Å; W185-R189 HydrophobicContact CH2-CB 4.15Å; W185-R189 HydrophobicContact CH2-CG 3.88Å; W185-R189 HydrophobicContact CZ3-CB 3.84Å; W185-R189 HydrophobicContact CZ3-CG 3.9Å; W185-R189 VanDerWaalsContact O-CB 3.32Å; W185-R189 WeakPolarHBondContact O-CB 3.28Å; W185-R189 PolarHBondContact O-N 3.41Å |
| 186 | F | 98.7 | Very high | 97.1 | Very high | 7 Ų | 7 | 81.3 Ų | 81.3 | 3% | 0.031 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 176.9 | -91.4 | -106.2 | 0 | 0 | 0 | 112.1 | L153 R156 F157 L163 L171 V182 K183 R189 R190 | L153-F186 HydrophobicContact CD2-CE2 3.98Å; R156-F186 HydrophobicContact CB-CZ 4.38Å; R156-F186 HydrophobicContact CG-CZ 4.24Å; F157-F186 HydrophobicContact CB-CE1 4.19Å; F157-F186 HydrophobicContact CB-CZ 4.32Å; F157-F186 AromaticContact CD2-CD1 3.82Å; F157-F186 HydrophobicContact CD2-CD1 3.82Å; F157-F186 AromaticContact CD2-CE1 3.83Å; F157-F186 HydrophobicContact CD2-CE1 3.83Å; F157-F186 HydrophobicContact CE2-CD1 4.49Å; L163-F186 HydrophobicContact CD1-CD1 4.24Å; L163-F186 HydrophobicContact CD1-CD2 4.14Å; L163-F186 HydrophobicContact CD1-CE1 3.69Å; L163-F186 HydrophobicContact CD1-CE2 3.58Å; L163-F186 HydrophobicContact CD1-CG 4.45Å; L163-F186 HydrophobicContact CD1-CZ 3.35Å; L163-F186 HydrophobicContact CD2-CE1 4.29Å; L163-F186 HydrophobicContact CD2-CZ 4.43Å; L163-F186 HydrophobicContact CG-CD1 4.08Å; L163-F186 HydrophobicContact CG-CE1 3.6Å; L163-F186 HydrophobicContact CG-CE2 4.41Å; L163-F186 HydrophobicContact CG-CZ 3.8Å; L171-F186 HydrophobicContact CD2-CE2 3.94Å; L171-F186 HydrophobicContact CD2-CZ 4.28Å; V182-F186 HydrophobicContact CG1-CD2 3.85Å; V182-F186 HydrophobicContact CG1-CE2 3.95Å; V182-F186 WeakPolarHBondContact O-CD2 3.38Å; V182-F186 PolarHBondContact O-N 2.87Å; K183-F186 PolarHBondContact O-N 2.82Å; F186-R189 PolarHBondContact O-N 3.28Å; F186-R190 WeakPolarHBondContact O-CG 3.48Å; F186-R190 PolarHBondContact O-N 3.39Å; F186-R190 PolarHBondContact O-NE 3.22Å |
| 187 | Q | 98.5 | Very high | 96.4 | Very high | 66 Ų | 66 | 81.5 Ų | 81.5 | 31% | 0.308 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -51.1 | 174.3 | 179.2 | 168.9 | 23.8 | 0 | 0 | 111.3 | K183 I184 W185 R189 R190 Y191 | K183-Q187 WeakPolarHBondContact O-CB 3.11Å; K183-Q187 PolarHBondContact O-N 3.45Å; I184-Q187 PolarHBondContact O-N 3.43Å; W185-Q187 VanDerWaalsContact C-N 3.3Å; W185-Q187 PolarHBondContact O-N 3.5Å; Q187-R189 VanDerWaalsContact C-N 3.27Å; Q187-R189 PolarHBondContact O-N 3.34Å; Q187-R190 PolarHBondContact O-N 3.29Å; Q187-Y191 HydrophobicContact CG-CD2 3.72Å; Q187-Y191 HydrophobicContact CG-CE2 3.27Å; Q187-Y191 PolarHBondContact NE2-OH 3Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.32Å; Q187-Y191 PolarHBondContact O-N 3.13Å |
| 188 | N | 98.1 | Very high | 95.7 | Very high | 95 Ų | 95 | 85.3 Ų | 85.3 | 51% | 0.508 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.7 | -40.4 | 176.2 | -71.5 | -16.7 | 0 | 0 | 0 | 111.8 | I184 W185 Y191 K192 | I184-N188 WeakPolarHBondContact O-CB 3.45Å; I184-N188 VanDerWaalsContact O-CG 3.27Å; I184-N188 PolarHBondContact O-N 2.9Å; I184-N188 PolarHBondContact O-ND2 2.97Å; W185-N188 PolarHBondContact O-N 3.02Å; N188-Y191 PolarHBondContact O-N 3.32Å; N188-K192 PolarHBondContact O-N 3.31Å |
| 189 | R | 98.1 | Very high | 94.9 | Very high | 72 Ų | 72 | 85.5 Ų | 85.5 | 27% | 0.272 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 178.6 | -172.2 | 67.7 | -163.4 | -169.7 | -1.3 | 112.1 | E154 F157 W185 F186 Q187 K192 C193 | E154-R189 IonicContact OE1-CZ 3.48Å; E154-R189 IonicContact OE1-NH1 2.76Å; E154-R189 PolarHBondContact OE1-NH1 3.49Å; E154-R189 IonicContact OE1-NH2 3.81Å; F157-R189 HydrophobicContact CD1-CG 3.64Å; F157-R189 HydrophobicContact CD2-CB 4.3Å; F157-R189 HydrophobicContact CD2-CG 3.81Å; F157-R189 HydrophobicContact CE1-CG 3.53Å; F157-R189 HydrophobicContact CE2-CB 4.1Å; F157-R189 HydrophobicContact CE2-CG 3.71Å; F157-R189 HydrophobicContact CG-CG 3.77Å; F157-R189 HydrophobicContact CZ-CB 4.29Å; F157-R189 HydrophobicContact CZ-CG 3.56Å; W185-R189 HydrophobicContact CE3-CB 4.11Å; W185-R189 HydrophobicContact CH2-CB 4.15Å; W185-R189 HydrophobicContact CH2-CG 3.88Å; W185-R189 HydrophobicContact CZ3-CB 3.84Å; W185-R189 HydrophobicContact CZ3-CG 3.9Å; W185-R189 VanDerWaalsContact O-CB 3.32Å; W185-R189 WeakPolarHBondContact O-CB 3.28Å; W185-R189 PolarHBondContact O-N 3.41Å; F186-R189 PolarHBondContact O-N 3.28Å; Q187-R189 VanDerWaalsContact C-N 3.27Å; Q187-R189 PolarHBondContact O-N 3.34Å; R189-K192 PolarHBondContact O-N 2.86Å; R189-C193 PolarHBondContact O-N 2.98Å; R189-C193 VanDerWaalsContact O-N 3.13Å |
| 190 | R | 98.1 | Very high | 93.9 | Very high | 86 Ų | 86 | 88.2 Ų | 88.2 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 173.7 | -73.7 | -176.4 | -72.5 | 133.3 | -6.2 | 111.8 | F157 K161 Y162 F186 Q187 K192 C193 K194 | F157-R190 HydrophobicContact CE2-CG 3.8Å; F157-R190 HydrophobicContact CZ-CG 4.15Å; K161-R190 WeakPolarHBondContact O-CD 3.45Å; Y162-R190 VanDerWaalsContact CE1-CD 3.44Å; F186-R190 WeakPolarHBondContact O-CG 3.48Å; F186-R190 PolarHBondContact O-N 3.39Å; F186-R190 PolarHBondContact O-NE 3.22Å; Q187-R190 PolarHBondContact O-N 3.29Å; R190-K192 PolarHBondContact O-N 2.94Å; R190-C193 PolarHBondContact O-N 3.47Å; R190-K194 PolarHBondContact O-N 2.92Å |
| 191 | Y | 97.8 | Very high | 92.6 | Very high | 128 Ų | 128 | 87.3 Ų | 87.3 | 50% | 0.502 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.4 | -75.6 | -61.4 | 0 | 0 | 0 | 112.5 | Q187 N188 C193 K194 R195 | Q187-Y191 HydrophobicContact CG-CD2 3.72Å; Q187-Y191 HydrophobicContact CG-CE2 3.27Å; Q187-Y191 PolarHBondContact NE2-OH 3Å; Q187-Y191 WeakPolarHBondContact O-CD2 3.32Å; Q187-Y191 PolarHBondContact O-N 3.13Å; N188-Y191 PolarHBondContact O-N 3.32Å; Y191-C193 VanDerWaalsContact C-N 3.34Å; Y191-C193 PolarHBondContact O-N 3.49Å; Y191-K194 PolarHBondContact O-N 2.88Å; Y191-R195 WeakPolarHBondContact O-CB 3.21Å; Y191-R195 PolarHBondContact O-N 3.28Å |
| 192 | K | 95.9 | Very high | 90.9 | Very high | 131 Ų | 131 | 88.5 Ų | 88.5 | 57% | 0.57 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -60.1 | -43.8 | 176.9 | -172.9 | 178.9 | 176.9 | -177.4 | 0 | 111.8 | N188 R189 R190 R195 Q196 | N188-K192 PolarHBondContact O-N 3.31Å; R189-K192 PolarHBondContact O-N 2.86Å; R190-K192 PolarHBondContact O-N 2.94Å; K192-R195 PolarHBondContact O-N 3.28Å; K192-Q196 WeakPolarHBondContact O-CB 3.21Å; K192-Q196 PolarHBondContact O-N 3.45Å |
| 193 | C | 93.7 | Very high | 89.1 | Confident | 46 Ų | 46 | 96 Ų | 96 | 31% | 0.311 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 178.1 | -171.2 | 0 | 0 | 0 | 0 | 112.2 | R189 R190 Y191 R197 | R189-C193 PolarHBondContact O-N 2.98Å; R189-C193 VanDerWaalsContact O-N 3.13Å; R190-C193 PolarHBondContact O-N 3.47Å; Y191-C193 VanDerWaalsContact C-N 3.34Å; Y191-C193 PolarHBondContact O-N 3.49Å; C193-R197 PolarHBondContact O-N 3.34Å |
| 194 | K | 94.3 | Very high | 87.3 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 50% | 0.504 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 174.3 | -173.6 | 179.5 | 68.9 | 169.6 | 0 | 111.6 | R190 Y191 Q196 R197 Q198 | R190-K194 PolarHBondContact O-N 2.92Å; Y191-K194 PolarHBondContact O-N 2.88Å; K194-Q196 PolarHBondContact O-N 3.22Å; K194-R197 PolarHBondContact O-N 3.31Å; K194-Q198 PolarHBondContact O-N 3.14Å |
| 195 | R | 93.2 | Very high | 85.5 | Confident | 163 Ų | 163 | 99.9 Ų | 99.9 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -59 | -46.9 | 179 | -165.3 | 85.6 | -177.9 | -118.1 | 5 | 111.1 | Y191 K192 R197 Q198 D199 | Y191-R195 WeakPolarHBondContact O-CB 3.21Å; Y191-R195 PolarHBondContact O-N 3.28Å; K192-R195 PolarHBondContact O-N 3.28Å; R195-R197 VanDerWaalsContact C-N 3.31Å; R195-R197 PolarHBondContact O-N 3.3Å; R195-Q198 PolarHBondContact O-N 3.11Å; R195-Q198 VanDerWaalsContact O-N 3.09Å; R195-D199 VanDerWaalsContact O-CG 3.28Å; R195-D199 PolarHBondContact O-N 3.39Å |
| 196 | Q | 90.1 | Very high | 83.5 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 179.9 | -173.6 | 175.3 | 1.7 | 0 | 0 | 112.9 | K192 K194 Q200 | K192-Q196 WeakPolarHBondContact O-CB 3.21Å; K192-Q196 PolarHBondContact O-N 3.45Å; K194-Q196 PolarHBondContact O-N 3.22Å; Q196-Q200 WeakPolarHBondContact O-CB 3.14Å; Q196-Q200 WeakPolarHBondContact O-CG 3.27Å; Q196-Q200 PolarHBondContact O-N 3.09Å |
| 197 | R | 83.8 | Confident | 81.7 | Confident | 183 Ų | 183 | 105.8 Ų | 105.8 | 69% | 0.691 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.9 | -36.9 | 176.1 | -68.3 | -178.3 | -177.1 | -149.9 | -1.7 | 112.7 | C193 K194 R195 S201 | C193-R197 PolarHBondContact O-N 3.34Å; K194-R197 PolarHBondContact O-N 3.31Å; R195-R197 VanDerWaalsContact C-N 3.31Å; R195-R197 PolarHBondContact O-N 3.3Å; R197-S201 PolarHBondContact O-N 3.1Å; R197-S201 VanDerWaalsContact O-N 3.14Å |
| 198 | Q | 82.8 | Confident | 79.9 | Confident | 101 Ų | 101 | 106.8 Ų | 106.8 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.6 | -45 | 176.8 | -69.8 | 178.4 | -17.3 | 0 | 0 | 111.1 | K194 R195 Q200 S201 L202 | K194-Q198 PolarHBondContact O-N 3.14Å; R195-Q198 PolarHBondContact O-N 3.11Å; R195-Q198 VanDerWaalsContact O-N 3.09Å; Q198-Q200 VanDerWaalsContact C-N 3.33Å; Q198-Q200 PolarHBondContact O-N 3.23Å; Q198-S201 PolarHBondContact O-N 2.63Å; Q198-S201 VanDerWaalsContact O-N 3.11Å; Q198-S201 PolarHBondContact O-OG 3.34Å; Q198-L202 WeakPolarHBondContact O-CG 3.48Å; Q198-L202 PolarHBondContact O-N 3.07Å; Q198-L202 VanDerWaalsContact O-N 3.1Å |
| 199 | D | 81.1 | Confident | 78.3 | Confident | 73 Ų | 73 | 107.4 Ų | 107.4 | 39% | 0.39 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 178.7 | -62.1 | -21.3 | 0 | 0 | 0 | 110.8 | R195 S201 L202 E203 | R195-D199 VanDerWaalsContact O-CG 3.28Å; R195-D199 PolarHBondContact O-N 3.39Å; D199-S201 VanDerWaalsContact C-N 3.31Å; D199-S201 PolarHBondContact O-N 3.43Å; D199-L202 PolarHBondContact O-N 3.4Å; D199-L202 VanDerWaalsContact O-N 3.12Å; D199-E203 PolarHBondContact O-N 3.28Å |
| 200 | Q | 76.9 | Confident | 76.8 | Confident | 105 Ų | 105 | 109.9 Ų | 109.9 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.3 | -36.5 | 172.8 | -77.2 | 177.4 | -17.5 | 0 | 0 | 113.1 | Q196 Q198 L202 M204 | Q196-Q200 WeakPolarHBondContact O-CB 3.14Å; Q196-Q200 WeakPolarHBondContact O-CG 3.27Å; Q196-Q200 PolarHBondContact O-N 3.09Å; Q198-Q200 VanDerWaalsContact C-N 3.33Å; Q198-Q200 PolarHBondContact O-N 3.23Å; Q200-L202 VanDerWaalsContact C-N 3.31Å; Q200-M204 PolarHBondContact O-N 2.88Å |
| 201 | S | 72 | Confident | 75.3 | Confident | 67 Ų | 67 | 116.2 Ų | 116.2 | 47% | 0.469 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.4 | -31 | 175.3 | 71.3 | 0 | 0 | 0 | 0 | 112.7 | R197 Q198 D199 V205 | R197-S201 PolarHBondContact O-N 3.1Å; R197-S201 VanDerWaalsContact O-N 3.14Å; Q198-S201 PolarHBondContact O-N 2.63Å; Q198-S201 VanDerWaalsContact O-N 3.11Å; Q198-S201 PolarHBondContact O-OG 3.34Å; D199-S201 VanDerWaalsContact C-N 3.31Å; D199-S201 PolarHBondContact O-N 3.43Å; S201-V205 WeakPolarHBondContact O-CG2 3.31Å; S201-V205 PolarHBondContact O-N 3.47Å |
| 202 | L | 63 | Low | 73.6 | Confident | 90 Ų | 90 | 121.9 Ų | 121.9 | 47% | 0.471 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -77 | -35.8 | 178.2 | -67.1 | 173.9 | 0 | 0 | 0 | 112.3 | Q198 D199 Q200 M204 V205 G206 | Q198-L202 WeakPolarHBondContact O-CG 3.48Å; Q198-L202 PolarHBondContact O-N 3.07Å; Q198-L202 VanDerWaalsContact O-N 3.1Å; D199-L202 PolarHBondContact O-N 3.4Å; D199-L202 VanDerWaalsContact O-N 3.12Å; Q200-L202 VanDerWaalsContact C-N 3.31Å; L202-M204 VanDerWaalsContact C-N 3.32Å; L202-V205 PolarHBondContact O-N 2.94Å; L202-G206 PolarHBondContact O-N 2.63Å |
| 203 | E | 60.8 | Low | 72.4 | Confident | 157 Ų | 157 | 123 Ų | 123 | 73% | 0.734 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.3 | -37.2 | 173.3 | -75.1 | -171.2 | 166.5 | 0 | 0 | 111.8 | D199 V205 G206 | D199-E203 PolarHBondContact O-N 3.28Å; E203-V205 VanDerWaalsContact C-N 3.26Å; E203-V205 PolarHBondContact O-N 3.29Å; E203-G206 PolarHBondContact O-N 2.8Å; E203-G206 VanDerWaalsContact O-N 3.15Å |
| 204 | M | 58.8 | Low | 70.7 | Confident | 172 Ų | 172 | 125.7 Ų | 125.7 | 85% | 0.847 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.8 | -23.9 | 177.1 | -150 | 89.7 | 76.8 | 0 | 0 | 113.2 | Q200 L202 G206 | Q200-M204 PolarHBondContact O-N 2.88Å; L202-M204 VanDerWaalsContact C-N 3.32Å; M204-G206 VanDerWaalsContact C-N 3.3Å |
| 205 | V | 61.3 | Low | 69.5 | Low | 103 Ų | 103 | 126 Ų | 126 | 62% | 0.624 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 2.4 | 176.6 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | S201 L202 E203 I207 | S201-V205 WeakPolarHBondContact O-CG2 3.31Å; S201-V205 PolarHBondContact O-N 3.47Å; L202-V205 PolarHBondContact O-N 2.94Å; E203-V205 VanDerWaalsContact C-N 3.26Å; E203-V205 PolarHBondContact O-N 3.29Å; V205-I207 HydrophobicContact CB-CD1 4.5Å; V205-I207 HydrophobicContact CB-CG1 4.41Å; V205-I207 HydrophobicContact CG1-CD1 3.89Å; V205-I207 HydrophobicContact CG1-CG1 3.95Å; V205-I207 PolarHBondContact O-N 2.93Å; V205-I207 VanDerWaalsContact O-N 3.09Å |
| 206 | G | 55.9 | Low | 68.1 | Low | 61 Ų | 61 | 122.9 Ų | 122.9 | 63% | 0.629 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.4 | 15.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L202 E203 M204 P208 | L202-G206 PolarHBondContact O-N 2.63Å; E203-G206 PolarHBondContact O-N 2.8Å; E203-G206 VanDerWaalsContact O-N 3.15Å; M204-G206 VanDerWaalsContact C-N 3.3Å; G206-P208 VanDerWaalsContact O-CD 3.27Å; G206-P208 WeakPolarHBondContact O-CD 3.4Å |
| 207 | I | 61.9 | Low | 66.9 | Low | 102 Ų | 102 | 123.6 Ų | 123.6 | 52% | 0.523 | 66% | 0.656 | S | S | . | * | trans | -77.1 | 113.5 | 175.9 | -58.1 | 175.3 | 0 | 0 | 0 | 106.6 | V205 | V205-I207 HydrophobicContact CB-CD1 4.5Å; V205-I207 HydrophobicContact CB-CG1 4.41Å; V205-I207 HydrophobicContact CG1-CD1 3.89Å; V205-I207 HydrophobicContact CG1-CG1 3.95Å; V205-I207 PolarHBondContact O-N 2.93Å; V205-I207 VanDerWaalsContact O-N 3.09Å | ||
| 208 | P | 59.7 | Low | 66 | Low | 86 Ų | 86 | 122.7 Ų | 122.7 | 56% | 0.558 | 66% | 0.664 | S | S | * | * | trans | -60.7 | 139.6 | -177.9 | 24.5 | -32.8 | 0 | 0 | 0 | 109.6 | G206 | G206-P208 VanDerWaalsContact O-CD 3.27Å; G206-P208 WeakPolarHBondContact O-CD 3.4Å | ||
| 209 | P | 66 | Low | 65 | Low | 109 Ų | 109 | 122.8 Ų | 122.8 | 71% | 0.708 | 67% | 0.671 | S | S | * | * | trans | -53.7 | 140.6 | 175.8 | 21.7 | -31.6 | 0 | 0 | 0 | 109 | R211 | P209-R211 PolarHBondContact O-N 3.16Š| ||
| 210 | P | 64.9 | Low | 63.6 | Low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 69% | 0.693 | S | S | * | * | trans | -54.4 | 112 | -176.5 | 20.2 | -31 | 0 | 0 | 0 | 108.6 | R212 | P210-R212 PolarHBondContact O-N 3.04Å; P210-R212 VanDerWaalsContact O-N 3.08Å | ||
| 211 | R | 67.9 | Low | 62.3 | Low | 219 Ų | 219 | 131.3 Ų | 131.3 | 83% | 0.826 | 70% | 0.704 | S | S | * | * | trans | -56 | 118.5 | -179.7 | -70.4 | -173.9 | -97 | -160.7 | -4.5 | 106.8 | P209 I213 | P209-R211 PolarHBondContact O-N 3.16Å; R211-I213 PolarHBondContact O-N 3.12Å | ||
| 212 | R | 61.4 | Low | 61.4 | Low | 247 Ų | 247 | 131.4 Ų | 131.4 | 93% | 0.932 | 72% | 0.715 | S | S | * | * | trans | -61.1 | 106.7 | 174.3 | -72.7 | -172.5 | 175.5 | -163 | 0.2 | 107.1 | P210 S214 | P210-R212 PolarHBondContact O-N 3.04Å; P210-R212 VanDerWaalsContact O-N 3.08Å; R212-S214 PolarHBondContact O-N 3.1Å; R212-S214 VanDerWaalsContact O-N 3.16Å | ||
| 213 | I | 70.6 | Confident | 61 | Low | 154 Ų | 154 | 135.7 Ų | 135.7 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -63.1 | 116.5 | 171.7 | -59.5 | 171.6 | 0 | 0 | 0 | 105.8 | R211 V215 | R211-I213 PolarHBondContact O-N 3.12Å; I213-V215 PolarHBondContact O-N 2.76Å | ||
| 214 | S | 57.7 | Low | 60.2 | Low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -63.1 | 107.8 | 167 | 52.4 | 0 | 0 | 0 | 0 | 106.7 | R212 P216 | R212-S214 PolarHBondContact O-N 3.1Å; R212-S214 VanDerWaalsContact O-N 3.16Å; S214-P216 WeakPolarHBondContact O-CD 3.39Å; S214-P216 VanDerWaalsContact O-N 3.13Å | ||
| 215 | V | 69.4 | Low | 59.7 | Low | 121 Ų | 121 | 131.8 Ų | 131.8 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | -63 | 113.8 | 169 | 178.9 | 0 | 0 | 0 | 0 | 105.6 | I213 V217 | I213-V215 PolarHBondContact O-N 2.76Å; V215-V217 PolarHBondContact O-N 3.1Å | ||
| 216 | P | 64.8 | Low | 59.3 | Low | 99 Ų | 99 | 134.3 Ų | 134.3 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | trans | -60.6 | 118.5 | 171.4 | 25.4 | -30.2 | 0 | 0 | 0 | 106.1 | S214 L218 | S214-P216 WeakPolarHBondContact O-CD 3.39Å; S214-P216 VanDerWaalsContact O-N 3.13Å; P216-L218 VanDerWaalsContact C-N 3.33Å; P216-L218 PolarHBondContact O-N 3.25Å | ||
| 217 | V | 65 | Low | 59.1 | Low | 120 Ų | 120 | 134.8 Ų | 134.8 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -57.3 | 108.3 | 164.1 | -179.4 | 0 | 0 | 0 | 0 | 104.1 | V215 V219 | V215-V217 PolarHBondContact O-N 3.1Å; V217-V219 HydrophobicContact CB-CG2 4.11Å; V217-V219 HydrophobicContact CG1-CG2 3.51Å; V217-V219 PolarHBondContact O-N 3.21Å | ||
| 218 | L | 64.4 | Low | 58.2 | Low | 164 Ų | 164 | 137.5 Ų | 137.5 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | trans | -67.3 | 76.9 | 169.5 | -69.8 | 171.4 | 0 | 0 | 0 | 106.5 | P216 R220 | P216-L218 VanDerWaalsContact C-N 3.33Å; P216-L218 PolarHBondContact O-N 3.25Å; L218-R220 VanDerWaalsContact C-N 3.26Å; L218-R220 PolarHBondContact O-N 3.48Å | ||
| 219 | V | 61.3 | Low | 57.8 | Low | 102 Ų | 102 | 139.4 Ų | 139.4 | 62% | 0.618 | 78% | 0.777 | S | S | * | * | trans | -71.2 | 93.1 | 164.6 | -177.5 | 0 | 0 | 0 | 0 | 104.7 | V217 D221 | V217-V219 HydrophobicContact CB-CG2 4.11Å; V217-V219 HydrophobicContact CG1-CG2 3.51Å; V217-V219 PolarHBondContact O-N 3.21Å; V219-D221 VanDerWaalsContact C-N 3.34Å; V219-D221 PolarHBondContact O-N 3.29Å | ||
| 220 | R | 51.1 | Low | 56.5 | Low | 224 Ų | 224 | 139 Ų | 139 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -80.6 | 95.5 | 156.2 | -159.2 | 101.6 | 179.5 | 174.8 | 1 | 105.2 | L218 G222 | L218-R220 VanDerWaalsContact C-N 3.26Å; L218-R220 PolarHBondContact O-N 3.48Å; R220-G222 PolarHBondContact O-N 3.19Å | ||
| 221 | D | 49.5 | Very low | 55.8 | Low | 134 Ų | 134 | 140 Ų | 140 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 44.6 | 62.9 | 165.5 | -50.9 | -41.7 | 0 | 0 | 0 | 116.2 | V219 K223 | V219-D221 VanDerWaalsContact C-N 3.34Å; V219-D221 PolarHBondContact O-N 3.29Å; D221-K223 PolarHBondContact O-N 2.92Å |
| 222 | G | 54.3 | Low | 54.3 | Low | 69 Ų | 69 | 138.8 Ų | 138.8 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.9 | 17.1 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119 | R220 | R220-G222 PolarHBondContact O-N 3.19Š|
| 223 | K | 54.4 | Low | 53.8 | Low | 180 Ų | 180 | 133.9 Ų | 133.9 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -122.9 | 128.2 | 177.2 | -66 | -159.2 | -177.6 | -178.2 | 0 | 111.7 | D221 C225 | D221-K223 PolarHBondContact O-N 2.92Å; K223-C225 PolarHBondContact O-N 2.91Å; K223-C225 VanDerWaalsContact O-N 3.09Å | ||
| 224 | P | 44.9 | Very low | 52.2 | Low | 118 Ų | 118 | 130.1 Ų | 130.1 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | -65.8 | 111.7 | 169.3 | 27.3 | -29.5 | 0 | 0 | 0 | 107.5 | L226 | P224-L226 PolarHBondContact O-N 3.47Š| ||
| 225 | C | 47.3 | Very low | 51.7 | Low | 128 Ų | 128 | 130.3 Ų | 130.3 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | trans | -69.1 | 85.2 | 171.5 | 46.6 | 0 | 0 | 0 | 0 | 109.1 | K223 | K223-C225 PolarHBondContact O-N 2.91Å; K223-C225 VanDerWaalsContact O-N 3.09Å | ||
| 226 | L | 52.6 | Low | 50.2 | Low | 157 Ų | 157 | 133 Ų | 133 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -67.2 | 126.3 | 151.4 | -68.5 | 174.2 | 0 | 0 | 0 | 106.3 | P224 | P224-L226 PolarHBondContact O-N 3.47Š| ||
| 227 | G | 53.1 | Low | 49.6 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -63.8 | 141.1 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 228 | D | 41.7 | Very low | 48.5 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -135.6 | 129.3 | 149.4 | -78.8 | -46.5 | 0 | 0 | 0 | 108.3 | T230 | D228-T230 PolarHBondContact O-N 3.22Š| ||
| 229 | S | 50.7 | Low | 47.7 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 87% | 0.874 | 75% | 0.747 | S | S | * | * | trans | -68.4 | 109 | 178.9 | -62 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 230 | T | 40.5 | Very low | 46.7 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | trans | -140.2 | 119.8 | 154.2 | 48.3 | 0 | 0 | 0 | 0 | 110.8 | D228 Y232 | D228-T230 PolarHBondContact O-N 3.22Å; T230-Y232 PolarHBondContact O-N 3.16Å | ||
| 231 | T | 48.4 | Very low | 46.3 | Very low | 143 Ų | 143 | 131.8 Ų | 131.8 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | trans | -46.1 | 107 | 166.3 | 33.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 232 | Y | 37.7 | Very low | 45.8 | Very low | 195 Ų | 195 | 133.7 Ų | 133.7 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | -116.2 | 109.3 | 157.1 | -74.3 | -83.5 | 0 | 0 | 0 | 108.5 | T230 T234 | T230-Y232 PolarHBondContact O-N 3.16Å; Y232-T234 PolarHBondContact O-N 3.43Å | ||
| 233 | N | 51.6 | Low | 45.1 | Very low | 144 Ų | 144 | 140 Ų | 140 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | -56.4 | 124.8 | 167 | -172.6 | -37.8 | 0 | 0 | 0 | 108 | S235 | N233-S235 PolarHBondContact OD1-OG 2.84Š| ||
| 234 | T | 36.2 | Very low | 44.6 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 46% | 0.46 | 77% | 0.765 | S | S | . | * | trans | -143.2 | 93.1 | -178.5 | -92.3 | 0 | 0 | 0 | 0 | 107.2 | Y232 Y236 | Y232-T234 PolarHBondContact O-N 3.43Å; T234-Y236 VanDerWaalsContact C-N 3.29Å; T234-Y236 HydrophobicContact CG2-CD1 4.12Å; T234-Y236 HydrophobicContact CG2-CD2 3.35Å; T234-Y236 HydrophobicContact CG2-CE1 3.69Å; T234-Y236 HydrophobicContact CG2-CE2 2.9Å; T234-Y236 HydrophobicContact CG2-CG 3.94Å; T234-Y236 VanDerWaalsContact CG2-OH 3.31Å; T234-Y236 WeakPolarHBondContact CG2-OH 3.43Å; T234-Y236 PolarHBondContact O-N 3.12Å; T234-Y236 PolarHBondContact OG1-OH 3.35Å | ||
| 235 | S | 47.1 | Very low | 44.2 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -72.7 | 77.7 | 174.6 | -51.6 | 0 | 0 | 0 | 0 | 110.2 | N233 | N233-S235 PolarHBondContact OD1-OG 2.84Š| ||
| 236 | Y | 37.6 | Very low | 44.3 | Very low | 178 Ų | 178 | 141.5 Ų | 141.5 | 70% | 0.698 | 76% | 0.759 | S | S | * | * | trans | -124.4 | 112 | 156.1 | -14.7 | -63.1 | 0 | 0 | 0 | 108.3 | T234 M238 | T234-Y236 VanDerWaalsContact C-N 3.29Å; T234-Y236 HydrophobicContact CG2-CD1 4.12Å; T234-Y236 HydrophobicContact CG2-CD2 3.35Å; T234-Y236 HydrophobicContact CG2-CE1 3.69Å; T234-Y236 HydrophobicContact CG2-CE2 2.9Å; T234-Y236 HydrophobicContact CG2-CG 3.94Å; T234-Y236 VanDerWaalsContact CG2-OH 3.31Å; T234-Y236 WeakPolarHBondContact CG2-OH 3.43Å; T234-Y236 PolarHBondContact O-N 3.12Å; T234-Y236 PolarHBondContact OG1-OH 3.35Å; Y236-M238 VanDerWaalsContact C-N 3.31Å; Y236-M238 PolarHBondContact O-N 3.44Å | ||
| 237 | N | 51.9 | Low | 43.6 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -67.6 | 89.2 | 170.7 | -170.8 | -38.9 | 0 | 0 | 0 | 108.3 | ||||
| 238 | M | 43.2 | Very low | 43.2 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | -94.8 | 99.3 | 162.1 | -87.3 | -70.4 | 145.9 | 0 | 0 | 107.2 | Y236 L240 | Y236-M238 VanDerWaalsContact C-N 3.31Å; Y236-M238 PolarHBondContact O-N 3.44Å; M238-L240 PolarHBondContact O-N 3.4Å; M238-L240 VanDerWaalsContact O-N 3.07Å | ||
| 239 | G | 47.7 | Very low | 43.7 | Very low | 49 Ų | 49 | 143 Ų | 143 | 51% | 0.505 | 75% | 0.753 | S | S | . | * | trans | -50.4 | 114.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | N241 | G239-N241 PolarHBondContact O-N 3.43Š| ||
| 240 | L | 39.7 | Very low | 43.4 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | trans | -68.7 | 77.2 | 176.8 | -146.8 | 90.6 | 0 | 0 | 0 | 109 | M238 H242 | M238-L240 PolarHBondContact O-N 3.4Å; M238-L240 VanDerWaalsContact O-N 3.07Å; L240-H242 PolarHBondContact O-N 2.91Å; L240-H242 VanDerWaalsContact O-N 3.16Å | ||
| 241 | N | 41.7 | Very low | 43.5 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -78.1 | 100.3 | 170.3 | -74.9 | -67.4 | 0 | 0 | 0 | 108.5 | G239 F243 | G239-N241 PolarHBondContact O-N 3.43Å; N241-F243 PolarHBondContact O-N 3.34Å | ||
| 242 | H | 40.1 | Very low | 43.3 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | trans | -60.1 | 114.2 | 168.2 | -152.7 | -148.8 | 0 | 0 | 0 | 107.9 | L240 T244 | L240-H242 PolarHBondContact O-N 2.91Å; L240-H242 VanDerWaalsContact O-N 3.16Å; H242-T244 PolarHBondContact O-N 3.29Å | ||
| 243 | F | 38.3 | Very low | 43.5 | Very low | 202 Ų | 202 | 142.5 Ų | 142.5 | 89% | 0.886 | 76% | 0.757 | S | S | * | * | trans | -63.7 | 100.7 | 178.1 | -64.9 | -81 | 0 | 0 | 0 | 109.8 | N241 Y245 | N241-F243 PolarHBondContact O-N 3.34Å; F243-Y245 PolarHBondContact O-N 3.42Å | ||
| 244 | T | 44.7 | Very low | 43.1 | Very low | 119 Ų | 119 | 146.3 Ų | 146.3 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | -73.7 | 102.9 | 166.9 | 41.4 | 0 | 0 | 0 | 0 | 108.5 | H242 N246 | H242-T244 PolarHBondContact O-N 3.29Å; T244-N246 PolarHBondContact O-N 3.41Å | ||
| 245 | Y | 37.1 | Very low | 43.5 | Very low | 216 Ų | 216 | 149.2 Ų | 149.2 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -72.4 | 82.3 | 169.6 | -170.3 | -91 | 0 | 0 | 0 | 108.9 | F243 | F243-Y245 PolarHBondContact O-N 3.42Š|
| 246 | N | 49.7 | Very low | 43.5 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | trans | 153.9 | 92 | 155.6 | -88.5 | -52.1 | 0 | 0 | 0 | 109 | T244 | T244-N246 PolarHBondContact O-N 3.41Š| ||
| 247 | S | 36.7 | Very low | 43.9 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -135.1 | 95.3 | 160.9 | -155.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 248 | Y | 45.7 | Very low | 43.5 | Very low | 196 Ų | 196 | 142.7 Ų | 142.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 141 | 166.9 | -84.9 | -92.1 | 0 | 0 | 0 | 108.1 | A250 | Y248-A250 PolarHBondContact O-N 2.9Å; Y248-A250 VanDerWaalsContact O-N 3.12Å |
| 249 | P | 51.3 | Low | 43.2 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 116.3 | 175.2 | 26.6 | -30.4 | 0 | 0 | 0 | 108.9 | F251 | P249-F251 PolarHBondContact O-N 3.42Š|
| 250 | A | 45.4 | Very low | 42.9 | Very low | 91 Ų | 91 | 144.8 Ų | 144.8 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 121.8 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y248 S252 | Y248-A250 PolarHBondContact O-N 2.9Å; Y248-A250 VanDerWaalsContact O-N 3.12Å; A250-S252 PolarHBondContact O-N 3.34Å |
| 251 | F | 41 | Very low | 43.1 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 118.5 | 166.5 | -75.9 | -85.7 | 0 | 0 | 0 | 108.8 | P249 N253 | P249-F251 PolarHBondContact O-N 3.42Å; F251-N253 VanDerWaalsContact C-N 3.27Å; F251-N253 PolarHBondContact O-N 3.23Å |
| 252 | S | 45.9 | Very low | 43.1 | Very low | 115 Ų | 115 | 144 Ų | 144 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -72.5 | 46.6 | -170 | -59.2 | 0 | 0 | 0 | 0 | 116.3 | A250 | A250-S252 PolarHBondContact O-N 3.34Š|
| 253 | N | 41.8 | Very low | 43.2 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -144.6 | 37.5 | -179.2 | -95.3 | -33.8 | 0 | 0 | 0 | 117 | F251 | F251-N253 VanDerWaalsContact C-N 3.27Å; F251-N253 PolarHBondContact O-N 3.23Å | ||
| 254 | Y | 42.8 | Very low | 43 | Very low | 223 Ų | 223 | 138.6 Ų | 138.6 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -144.3 | 126.5 | 159.7 | -83.5 | -81.1 | 0 | 0 | 0 | 111.4 | S256 | Y254-S256 PolarHBondContact O-N 3.35Š| ||
| 255 | P | 44.3 | Very low | 42.5 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -78.9 | 111.5 | 168.2 | 30 | -26.2 | 0 | 0 | 0 | 108.4 | ||||
| 256 | S | 46.4 | Very low | 42.5 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -124 | 143.1 | 166 | -146.4 | 0 | 0 | 0 | 0 | 109.1 | Y254 G258 | Y254-S256 PolarHBondContact O-N 3.35Å; S256-G258 PolarHBondContact O-N 3.3Å | ||
| 257 | P | 46.6 | Very low | 41.8 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 112.8 | -168 | -5.8 | 22.9 | 0 | 0 | 0 | 109.9 | C259 | P257-C259 PolarHBondContact O-N 3.2Š| ||
| 258 | G | 43.1 | Very low | 42.2 | Very low | 75 Ų | 75 | 140.4 Ų | 140.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -70.1 | 115.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S256 N260 | S256-G258 PolarHBondContact O-N 3.3Å; G258-N260 PolarHBondContact O-N 3.35Å | ||
| 259 | C | 37.6 | Very low | 41.8 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -70.8 | 113.7 | 160.1 | 36.6 | 0 | 0 | 0 | 0 | 108.9 | P257 M261 | P257-C259 PolarHBondContact O-N 3.2Å; C259-M261 PolarHBondContact O-N 2.89Å | ||
| 260 | N | 41.8 | Very low | 41.3 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -74.8 | 115.7 | 177.9 | -175.5 | -15.5 | 0 | 0 | 0 | 109.8 | G258 N262 | G258-N260 PolarHBondContact O-N 3.35Å; N260-N262 PolarHBondContact O-N 3.49Å; N260-N262 PolarHBondContact OD1-ND2 3.33Å | ||
| 261 | M | 42.3 | Very low | 41 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | -87.4 | 78.4 | 176.4 | -167.6 | 89.6 | 82.9 | 0 | 0 | 110.1 | C259 | C259-M261 PolarHBondContact O-N 2.89Š| ||
| 262 | N | 42.4 | Very low | 40.8 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | -123.1 | 87.5 | 163 | -84.2 | -71.1 | 0 | 0 | 0 | 108.5 | N260 | N260-N262 PolarHBondContact O-N 3.49Å; N260-N262 PolarHBondContact OD1-ND2 3.33Å | ||
| 263 | H | 41.6 | Very low | 40.3 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -97.2 | 94.2 | 167.6 | -72.8 | -64.3 | 0 | 0 | 0 | 109.4 | ||||
| 264 | A | 35.3 | Very low | 40.2 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -83.7 | 124.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | N266 | A264-N266 PolarHBondContact O-N 3.31Š| ||
| 265 | C | 33.4 | Very low | 39.7 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -75 | 107.1 | 177.8 | -54.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 266 | N | 36.7 | Very low | 39.3 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -122 | 111.6 | 169 | -143.8 | 19.7 | 0 | 0 | 0 | 107.9 | A264 | A264-N266 PolarHBondContact O-N 3.31Š| ||
| 267 | Y | 34.9 | Very low | 39.6 | Very low | 217 Ų | 217 | 136.4 Ų | 136.4 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 129.5 | 176.1 | -84.6 | -88.7 | 0 | 0 | 0 | 109.7 | ||
| 268 | P | 45.8 | Very low | 39 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 120 | 169.3 | 29.5 | -28.5 | 0 | 0 | 0 | 110.8 | T270 | P268-T270 PolarHBondContact O-N 3.17Š|
| 269 | T | 38.4 | Very low | 38.6 | Very low | 139 Ų | 139 | 140 Ų | 140 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 117.6 | 160.1 | -93.6 | 0 | 0 | 0 | 0 | 108.6 | ||
| 270 | T | 40.4 | Very low | 38.6 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -89.2 | 114.8 | 169.3 | 48.2 | 0 | 0 | 0 | 0 | 109.6 | P268 | P268-T270 PolarHBondContact O-N 3.17Š| ||
| 271 | A | 38.9 | Very low | 38.4 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -69.2 | 146.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 272 | V | 37.2 | Very low | 38.2 | Very low | 138 Ų | 138 | 136.9 Ų | 136.9 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -67.8 | 131.6 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 273 | Q | 34.2 | Very low | 38.1 | Very low | 192 Ų | 192 | 137.1 Ų | 137.1 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -138.2 | 130.3 | 152.6 | -74.5 | -162.9 | 1.4 | 0 | 0 | 111.3 | ||||
| 274 | S | 39.3 | Very low | 38.1 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -76.4 | 153.6 | 176 | 50 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 275 | I | 33.7 | Very low | 38.4 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | 176.4 | 141.4 | 129.2 | -85.9 | 149.6 | 0 | 0 | 0 | 109.4 | |||||
| 276 | Q | 34.3 | Very low | 38.5 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -115.3 | -176 | 179.6 | -137.9 | -148.6 | 4.8 | 0 | 0 | 110.2 | ||||
| 277 | P | 54.7 | Low | 38.6 | Very low | 104 Ų | 104 | 146 Ų | 146 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | -118.6 | 173.3 | -106 | 40 | -23.5 | 0 | 0 | 0 | 115.1 | |||||
| 278 | S | 32.7 | Very low | 38.6 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -175.5 | 116.6 | 155.5 | -149.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 279 | Q | 35.7 | Very low | 38.1 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | 85 | 109.3 | 105.2 | -68.8 | -91.9 | -15.7 | 0 | 0 | 117.3 | |||||
| 280 | N | 36.8 | Very low | 37.9 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | 59.6 | 113.1 | 120.3 | -144.2 | 13.8 | 0 | 0 | 0 | 119.8 | |||||
| 281 | N | 38.5 | Very low | 37.6 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -160.1 | 123.9 | 133.6 | -131.5 | 10.9 | 0 | 0 | 0 | 111.1 | ||||
| 282 | G | 38.3 | Very low | 37.6 | Very low | 49 Ų | 49 | 142.5 Ų | 142.5 | 51% | 0.505 | 79% | 0.788 | S | S | . | * | trans | -81.2 | 164.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 283 | N | 38.6 | Very low | 37.6 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | 170.7 | 122.8 | 123.6 | -89.7 | -2.2 | 0 | 0 | 0 | 113.8 | |||||
| 284 | Y | 41.6 | Very low | 37.7 | Very low | 210 Ų | 210 | 141 Ų | 141 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 58 | 133.9 | 141.3 | -58.3 | -71.4 | 0 | 0 | 0 | 123.7 | ||||
| 285 | M | 41.8 | Very low | 37.6 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -65 | 144.8 | 173.6 | -57.2 | -166.5 | -150.5 | 0 | 0 | 112.7 | ||||
| 286 | N | 36.9 | Very low | 37.7 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -122.3 | 133.7 | 164.1 | -163.9 | -22.3 | 0 | 0 | 0 | 108.8 | ||||
| 287 | F | 38.8 | Very low | 37.7 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 80% | 0.803 | 77% | 0.773 | S | S | * | * | trans | -102.2 | 142.7 | -173.6 | -86.7 | -93 | 0 | 0 | 0 | 111.9 | ||||
| 288 | G | 33.4 | Very low | 36.8 | Very low | 73 Ų | 73 | 140.3 Ų | 140.3 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | 87.7 | 147.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 289 | V | 35.4 | Very low | 37 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | cis | -163.9 | 143.9 | 5.1 | -159.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 290 | G | 34 | Very low | 37.5 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | 73.1 | 144.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 291 | E | 35.1 | Very low | 37.5 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | cis | -155.2 | 150.7 | 13 | -71.9 | 177.7 | 126.7 | 0 | 0 | 108.4 | ||||
| 292 | L | 39.3 | Very low | 37.4 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | 30.2 | 121.1 | 146.8 | -66.8 | 159.4 | 0 | 0 | 0 | 120.8 | ||||
| 293 | N | 36.6 | Very low | 37.5 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 118.6 | 133.8 | 137.9 | -66.8 | -50 | 0 | 0 | 0 | 117.5 | ||||
| 294 | N | 36.9 | Very low | 37.4 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | 89.5 | 97.7 | 155.7 | -123.2 | -7.8 | 0 | 0 | 0 | 118 | Q296 | N294-Q296 PolarHBondContact O-N 3.36Å; N294-Q296 VanDerWaalsContact O-N 3.09Å | ||
| 295 | V | 37 | Very low | 37.5 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | trans | -68.2 | 97.9 | 164.7 | 178.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 296 | Q | 36.4 | Very low | 37.6 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | -106.3 | 93 | 165.7 | -172.7 | 127.9 | -1.8 | 0 | 0 | 108.4 | N294 T298 | N294-Q296 PolarHBondContact O-N 3.36Å; N294-Q296 VanDerWaalsContact O-N 3.09Å; Q296-T298 PolarHBondContact O-N 3.25Å | ||
| 297 | N | 34 | Very low | 38 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | trans | -81.6 | 95.4 | 170 | -95 | -4.7 | 0 | 0 | 0 | 109.6 | F299 | N297-F299 HydrophobicContact CB-CE2 4.41Š| ||
| 298 | T | 34.5 | Very low | 38.4 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | trans | -78.8 | 110.3 | 164.6 | -54.8 | 0 | 0 | 0 | 0 | 108.4 | Q296 | Q296-T298 PolarHBondContact O-N 3.25Š| ||
| 299 | F | 36.8 | Very low | 39 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -85.9 | 132.9 | 167.2 | -76 | -84.6 | 0 | 0 | 0 | 109.8 | N297 | N297-F299 HydrophobicContact CB-CE2 4.41Š| ||
| 300 | P | 46.1 | Very low | 39.2 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | trans | -78.3 | 128.7 | 174.4 | 29.5 | -30.1 | 0 | 0 | 0 | 111.2 | G302 | P300-G302 PolarHBondContact O-N 3.22Š| ||
| 301 | S | 38.4 | Very low | 40.1 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -64.9 | 115.3 | 174.9 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 302 | G | 36 | Very low | 40.8 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -87.1 | 125 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P300 G304 | P300-G302 PolarHBondContact O-N 3.22Å; G302-G304 PolarHBondContact O-N 2.8Å | ||
| 303 | N | 39.4 | Very low | 41 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | trans | -65 | 108.9 | 172.5 | -82.6 | -7.8 | 0 | 0 | 0 | 111.2 | ||||
| 304 | G | 37.8 | Very low | 41.8 | Very low | 65 Ų | 65 | 142.4 Ų | 142.4 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | trans | -110.7 | 103.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | G302 S306 | G302-G304 PolarHBondContact O-N 2.8Å; G304-S306 PolarHBondContact O-N 3.23Å | ||
| 305 | V | 42.2 | Very low | 42 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -61.7 | 111 | 172.5 | -80.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 306 | S | 43.6 | Very low | 42.3 | Very low | 111 Ų | 111 | 142.9 Ų | 142.9 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -95.4 | 111.2 | 172.9 | -68 | 0 | 0 | 0 | 0 | 110.4 | G304 L308 | G304-S306 PolarHBondContact O-N 3.23Å; S306-L308 PolarHBondContact O-N 3.42Å | ||
| 307 | S | 46.9 | Very low | 42.6 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | trans | -72.9 | 99.6 | 171.9 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | H309 | S307-H309 PolarHBondContact O-N 3.25Å; S307-H309 PolarHBondContact OG-CE1 3.21Å; S307-H309 PolarHBondContact OG-ND1 3.36Å | ||
| 308 | L | 47.6 | Very low | 43.1 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 85% | 0.848 | 83% | 0.825 | S | S | * | * | trans | -78.4 | 97.4 | 172.6 | -93.4 | 157.6 | 0 | 0 | 0 | 110.1 | S306 | S306-L308 PolarHBondContact O-N 3.42Š| ||
| 309 | H | 45.8 | Very low | 43.6 | Very low | 171 Ų | 171 | 144.4 Ų | 144.4 | 79% | 0.792 | 83% | 0.831 | S | S | * | * | trans | -78.5 | 124.1 | 164.5 | -78.2 | 73.9 | 0 | 0 | 0 | 110.6 | S307 | S307-H309 PolarHBondContact O-N 3.25Å; S307-H309 PolarHBondContact OG-CE1 3.21Å; S307-H309 PolarHBondContact OG-ND1 3.36Å | ||
| 310 | G | 38.1 | Very low | 44.1 | Very low | 76 Ų | 76 | 142.6 Ų | 142.6 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | trans | 79.9 | 72.9 | 143.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | R312 | G310-R312 PolarHBondContact O-N 3.09Š| ||
| 311 | I | 53.3 | Low | 43.9 | Very low | 172 Ų | 172 | 144 Ų | 144 | 88% | 0.882 | 84% | 0.839 | S | S | * | * | trans | -79.6 | 106.8 | 158 | -60.7 | 172 | 0 | 0 | 0 | 107.7 | ||||
| 312 | R | 50.1 | Low | 44.4 | Very low | 224 Ų | 224 | 145.8 Ų | 145.8 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | trans | -95.7 | 112.4 | 168.5 | -146.2 | 170.6 | -149 | -104.6 | 1 | 108.1 | G310 | G310-R312 PolarHBondContact O-N 3.09Š| ||
| 313 | A | 43.8 | Very low | 45.1 | Very low | 96 Ų | 96 | 151.7 Ų | 151.7 | 79% | 0.793 | 84% | 0.844 | S | S | * | * | trans | -60.9 | 139.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 314 | W | 52.2 | Low | 45.6 | Very low | 324 Ų | 324 | 149.9 Ų | 149.9 | 100% | 1.227 | 84% | 0.837 | S | S | * | * | trans | -106 | 0 | 166.9 | -75.2 | 72.9 | 0 | 0 | 0 | 108.9 |
Retrieved 314 of 314 residues in 926.2 ms
(Link to these results)