| 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 | 48.1 | Very low | 49.4 | Very low | 246 Ų | 246 | 151.4 Ų | 151.4 | 100% | 1.212 | 81% | 0.814 | S | S | * | * | 0 | 119.9 | 0 | -78.1 | 101.4 | 87.2 | 0 | 0 | 108.9 | |||||
| 2 | S | 39.7 | Very low | 49.1 | Very low | 92 Ų | 92 | 144 Ų | 144 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | trans | -58.8 | 133.3 | -171.5 | -61.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3 | S | 47.1 | Very low | 49.1 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -82.6 | 109.6 | 165.2 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 4 | Y | 56.3 | Low | 48.6 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 74% | 0.737 | 80% | 0.801 | S | S | * | * | trans | -108.7 | 89.5 | 167.7 | -66.2 | -80.9 | 0 | 0 | 0 | 109.5 | ||||
| 5 | F | 52.9 | Low | 48.4 | Very low | 209 Ų | 209 | 140.9 Ų | 140.9 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -100.8 | 97.8 | 147.2 | -85.9 | -77.9 | 0 | 0 | 0 | 106.3 | N7 | F5-N7 PolarHBondContact O-N 3.28Š| ||
| 6 | V | 54 | Low | 48 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | trans | -75.8 | 112.4 | 172 | 178.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 7 | N | 41.5 | Very low | 48.1 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -62 | 129.6 | 163.2 | -84.3 | -40.4 | 0 | 0 | 0 | 108.7 | F5 T9 | F5-N7 PolarHBondContact O-N 3.28Å; N7-T9 VanDerWaalsContact C-N 3.25Å; N7-T9 PolarHBondContact O-N 3.31Å | ||
| 8 | P | 49.8 | Very low | 48.2 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | trans | -78 | 86.8 | 163.3 | 31.1 | -27.4 | 0 | 0 | 0 | 107.9 | F10 | P8-F10 PolarHBondContact O-N 3.45Š| ||
| 9 | T | 55 | Low | 47.9 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -68.5 | 110.7 | 156.4 | -62.5 | 0 | 0 | 0 | 0 | 106.7 | N7 P11 | N7-T9 VanDerWaalsContact C-N 3.25Å; N7-T9 PolarHBondContact O-N 3.31Å; T9-P11 WeakPolarHBondContact O-CD 3.34Å | ||
| 10 | F | 45.6 | Very low | 47.9 | Very low | 191 Ų | 191 | 137 Ų | 137 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 125.8 | 168.7 | -78.7 | -92.8 | 0 | 0 | 0 | 109.5 | P8 | P8-F10 PolarHBondContact O-N 3.45Š|
| 11 | P | 53 | Low | 48.1 | Very low | 128 Ų | 128 | 140 Ų | 140 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 124.6 | 170.1 | 30.3 | -28.7 | 0 | 0 | 0 | 109.2 | T9 | T9-P11 WeakPolarHBondContact O-CD 3.34Š|
| 12 | G | 46 | Very low | 48.2 | Very low | 63 Ų | 63 | 136.5 Ų | 136.5 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 146.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 13 | S | 49.3 | Very low | 48.4 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 72.9 | 136.2 | 146.3 | 91.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 14 | L | 41.7 | Very low | 48.3 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | cis | -161.3 | -170.4 | 23.2 | -78.9 | 165.6 | 0 | 0 | 0 | 106.8 | ||||
| 15 | P | 46.4 | Very low | 47.7 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | cis | -134.9 | 173.7 | -0.8 | 36.5 | -15.8 | 0 | 0 | 0 | 115.8 | ||||
| 16 | S | 41.2 | Very low | 47.7 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 73.5 | 102.5 | 152.1 | -175.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 17 | G | 50.4 | Low | 47.5 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | 99.2 | 109.8 | 136.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 18 | Q | 48.7 | Very low | 47.8 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 90.4 | 132.4 | 156 | -51.5 | -66.8 | 6.8 | 0 | 0 | 118.7 | ||||
| 19 | D | 43.4 | Very low | 48 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 80.5 | 87.4 | 158 | -53.2 | -42.6 | 0 | 0 | 0 | 119.2 | F21 | D19-F21 PolarHBondContact O-N 2.89Š| ||
| 20 | S | 47.8 | Very low | 47.8 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 92% | 0.923 | 80% | 0.801 | S | S | * | * | trans | -55.6 | 90 | 156.9 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 21 | F | 52.8 | Low | 47.6 | Very low | 200 Ų | 200 | 131.5 Ų | 131.5 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -109.6 | 57.6 | 174.4 | -135.2 | -85.4 | 0 | 0 | 0 | 111.8 | D19 | D19-F21 PolarHBondContact O-N 2.89Š| ||
| 22 | L | 49.8 | Very low | 47.2 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 90% | 0.901 | 80% | 0.799 | S | S | * | * | trans | -127.7 | 102.7 | 162.7 | -108.6 | 158.6 | 0 | 0 | 0 | 108 | ||||
| 23 | G | 44.3 | Very low | 47.1 | Very low | 63 Ų | 63 | 141.4 Ų | 141.4 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | trans | -54.4 | 148 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I25 | G23-I25 PolarHBondContact O-N 3.3Š| ||
| 24 | Q | 45.1 | Very low | 47.3 | Very low | 191 Ų | 191 | 139.6 Ų | 139.6 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -43.3 | 121.7 | 168.1 | -74.4 | 151.3 | -67.5 | 0 | 0 | 111.9 | P26 | Q24-P26 WeakPolarHBondContact O-CD 3.35Š| ||
| 25 | I | 43.9 | Very low | 48 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -90.2 | 113.9 | 152.8 | -59.1 | 174.7 | 0 | 0 | 0 | 105.6 | G23 L27 | G23-I25 PolarHBondContact O-N 3.3Å; I25-L27 PolarHBondContact O-N 3.04Å; I25-L27 VanDerWaalsContact O-N 3.12Å | ||
| 26 | P | 52.7 | Low | 48.3 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | trans | -66.6 | 112.2 | 171.3 | -14.6 | 29 | 0 | 0 | 0 | 108.8 | Q24 Y28 | Q24-P26 WeakPolarHBondContact O-CD 3.35Å; P26-Y28 PolarHBondContact O-N 3.42Å | ||
| 27 | L | 49.3 | Very low | 48.5 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -67.3 | 108.8 | 164.6 | -69.3 | 170.7 | 0 | 0 | 0 | 107.5 | I25 P29 | I25-L27 PolarHBondContact O-N 3.04Å; I25-L27 VanDerWaalsContact O-N 3.12Å; L27-P29 WeakPolarHBondContact O-CD 3.32Å | ||
| 28 | Y | 47.5 | Very low | 48.5 | Very low | 220 Ų | 220 | 152.7 Ų | 152.7 | 86% | 0.863 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 126.7 | 168.9 | -109.1 | -86.6 | 0 | 0 | 0 | 109.6 | P26 | P26-Y28 PolarHBondContact O-N 3.42Š|
| 29 | P | 53.6 | Low | 48.7 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 140.9 | 171.9 | -18.9 | 32.6 | 0 | 0 | 0 | 111.4 | L27 G31 | L27-P29 WeakPolarHBondContact O-CD 3.32Å; P29-G31 PolarHBondContact O-N 3.21Å |
| 30 | A | 50.6 | Low | 48.8 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 96% | 0.959 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 116.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 31 | G | 42.2 | Very low | 48.7 | Very low | 67 Ų | 67 | 146 Ų | 146 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | trans | -153.2 | 116.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | P29 | P29-G31 PolarHBondContact O-N 3.21Š| ||
| 32 | Y | 44.9 | Very low | 48 | Very low | 239 Ų | 239 | 147 Ų | 147 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | -49.6 | 138.8 | 175 | -78.3 | -109.2 | 0 | 0 | 0 | 111.8 | ||||
| 33 | D | 43.6 | Very low | 47.4 | Very low | 161 Ų | 161 | 142.8 Ų | 142.8 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | -159.3 | 134.6 | 129 | -135 | -24.4 | 0 | 0 | 0 | 112.3 | |||||
| 34 | A | 53.3 | Low | 47.3 | Very low | 74 Ų | 74 | 144.4 Ų | 144.4 | 61% | 0.612 | 80% | 0.798 | S | S | * | * | trans | -83.5 | 169.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 35 | L | 56.2 | Low | 46.9 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | 76 | 88.1 | 177.3 | -70.6 | 81.1 | 0 | 0 | 0 | 116.7 | H37 | L35-H37 WeakPolarHBondContact CD2-CE1 3.14Š| ||
| 36 | R | 52.3 | Low | 46.7 | Very low | 245 Ų | 245 | 138.9 Ų | 138.9 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -92.7 | 96.7 | 146.5 | -73 | -73.9 | 177.9 | 172.8 | -2.9 | 109.2 | ||||
| 37 | H | 45.3 | Very low | 46.3 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 125.5 | 156.8 | -72.8 | 75.4 | 0 | 0 | 0 | 109.7 | L35 | L35-H37 WeakPolarHBondContact CD2-CE1 3.14Š|
| 38 | F | 52 | Low | 45.9 | Very low | 200 Ų | 200 | 141.8 Ų | 141.8 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81 | 128 | 162 | -82.5 | -85.7 | 0 | 0 | 0 | 108.7 | A40 | F38-A40 PolarHBondContact O-N 3.01Š|
| 39 | P | 52.6 | Low | 45.6 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 117.3 | 174.9 | 29.1 | -29.3 | 0 | 0 | 0 | 109.8 | ||
| 40 | A | 45.4 | Very low | 45 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72 | 136.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | F38 | F38-A40 PolarHBondContact O-N 3.01Š|
| 41 | S | 44.9 | Very low | 44.9 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 60% | 0.601 | 79% | 0.79 | S | S | * | * | trans | -166 | 91.3 | 173.4 | 162.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 42 | Y | 39.3 | Very low | 44.6 | Very low | 221 Ų | 221 | 149.8 Ų | 149.8 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | 76.6 | 118.5 | 139.5 | -40.4 | -64 | 0 | 0 | 0 | 121.5 | ||||
| 43 | G | 35.7 | Very low | 44.7 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | trans | 174.2 | 75.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 44 | A | 42.5 | Very low | 44.3 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -110.8 | 126.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 45 | S | 36.6 | Very low | 44.5 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -167.2 | 123 | 143.3 | -93.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 46 | S | 39.3 | Very low | 43.4 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 50.2 | 109.6 | 142.9 | 68.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 47 | L | 45.9 | Very low | 42.7 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | 33.7 | 117.7 | 118.1 | -101.2 | 146.6 | 0 | 0 | 0 | 118.4 | |||||
| 48 | Q | 40.1 | Very low | 42.3 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | -163.3 | 112.5 | 120.6 | -103.1 | 172.8 | 49.1 | 0 | 0 | 110.7 | |||||
| 49 | D | 42.1 | Very low | 41.8 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -59.6 | 126.8 | 168.2 | -73.3 | -57.5 | 0 | 0 | 0 | 111.7 | ||||
| 50 | K | 39.6 | Very low | 41 | Very low | 187 Ų | 187 | 136.4 Ų | 136.4 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -148.1 | 94.8 | 148.3 | -64.4 | -165.9 | -179.2 | -179.5 | 0 | 110.9 | ||||
| 51 | T | 48.5 | Very low | 40.3 | Very low | 132 Ų | 132 | 137.1 Ų | 137.1 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | -0.3 | 120.9 | 143.8 | 30 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 52 | Y | 36.4 | Very low | 40 | Very low | 220 Ų | 220 | 139.6 Ų | 139.6 | 86% | 0.863 | 76% | 0.761 | S | S | * | * | trans | -137.4 | 107.8 | 132.7 | -159.6 | -96.2 | 0 | 0 | 0 | 110.1 | ||||
| 53 | T | 48 | Very low | 40 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | trans | -56.1 | 129.6 | 166.8 | -70.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 54 | S | 34.3 | Very low | 40.2 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -131.7 | 125.4 | 154.8 | -142.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 55 | P | 56.5 | Low | 40.4 | Very low | 92 Ų | 92 | 141 Ų | 141 | 60% | 0.597 | 76% | 0.758 | S | S | * | * | trans | -81.6 | 156.3 | -179 | 38.8 | -34.5 | 0 | 0 | 0 | 108.5 | ||||
| 56 | C | 34.8 | Very low | 40.2 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | -160.7 | 135.5 | 53 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 57 | F | 37.5 | Very low | 40.2 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | 34.9 | 109.1 | 127.1 | -69.7 | -86.8 | 0 | 0 | 0 | 120.2 | |||||
| 58 | Y | 36.4 | Very low | 39.8 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | 91.8 | 110.4 | 98.7 | -107.9 | -105.6 | 0 | 0 | 0 | 113 | |||||
| 59 | Q | 40.3 | Very low | 39.6 | Very low | 119 Ų | 119 | 144 Ų | 144 | 56% | 0.556 | 77% | 0.765 | S | S | * | * | 77.5 | 135.8 | 67.6 | -175.6 | 160.5 | 15 | 0 | 0 | 110.9 | |||||
| 60 | Q | 36.1 | Very low | 39.3 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | cis | -166.7 | 157.9 | 17.4 | -136.5 | 155.1 | 5.7 | 0 | 0 | 105.3 | ||||
| 61 | S | 31 | Very low | 38.9 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | 173.1 | 139.5 | 73.5 | 39.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 62 | N | 39 | Very low | 38.2 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 5.9 | 134.5 | 151.7 | -61 | -8.5 | 0 | 0 | 0 | 120.5 | ||||
| 63 | T | 38.7 | Very low | 37.9 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | 178 | 164.1 | 103.4 | 33.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 64 | V | 40.7 | Very low | 37.3 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | -84.1 | 159.6 | -160.9 | -72.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 65 | I | 45.5 | Very low | 37.2 | Very low | 159 Ų | 159 | 140 Ų | 140 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | trans | 16.2 | 115.4 | 145.7 | -51.5 | -76.2 | 0 | 0 | 0 | 116.7 | ||||
| 66 | A | 34.1 | Very low | 36.3 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | trans | -168.6 | 125.4 | 139.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N68 | A66-N68 PolarHBondContact O-N 3.34Š| ||
| 67 | C | 38.1 | Very low | 36.8 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -71.9 | 109.9 | 168.9 | -31.9 | 0 | 0 | 0 | 0 | 107.9 | R69 | C67-R69 PolarHBondContact O-N 3.3Š| ||
| 68 | N | 37.8 | Very low | 37.1 | Very low | 170 Ų | 170 | 137.6 Ų | 137.6 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -77.9 | 96.6 | 173.7 | -82.3 | -14 | 0 | 0 | 0 | 110.7 | A66 | A66-N68 PolarHBondContact O-N 3.34Š| ||
| 69 | R | 35.5 | Very low | 37.1 | Very low | 240 Ų | 240 | 137.5 Ų | 137.5 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | trans | -111.4 | 111.5 | 154.4 | 177 | -178.6 | -176.3 | 146.8 | 1.4 | 107.9 | C67 | C67-R69 PolarHBondContact O-N 3.3Š| ||
| 70 | A | 35.7 | Very low | 37.1 | Very low | 87 Ų | 87 | 142.9 Ų | 142.9 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | 177 | 120.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 71 | S | 32.6 | Very low | 37.2 | Very low | 115 Ų | 115 | 139.7 Ų | 139.7 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | 89.4 | 126.9 | 62.3 | -70.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 72 | Y | 32.9 | Very low | 37.3 | Very low | 185 Ų | 185 | 140.8 Ų | 140.8 | 73% | 0.725 | 78% | 0.781 | S | S | * | * | trans | 81.4 | 132.4 | 169 | -144.9 | -124.3 | 0 | 0 | 0 | 115.1 | ||||
| 73 | E | 30.8 | Very low | 37.3 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | -166.6 | 138.2 | 50 | -174.8 | 156.6 | -162.2 | 0 | 0 | 112.5 | |||||
| 74 | Y | 34.1 | Very low | 36.9 | Very low | 207 Ų | 207 | 143.1 Ų | 143.1 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | 49.2 | 113.2 | 143.6 | -145.7 | -104.9 | 0 | 0 | 0 | 122.4 | ||||
| 75 | G | 33 | Very low | 36.7 | Very low | 71 Ų | 71 | 145.1 Ų | 145.1 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 110.9 | 101.7 | 133.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 76 | A | 37.6 | Very low | 36.1 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | 172.2 | 94.7 | 126.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 77 | S | 44.6 | Very low | 36.2 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -83.3 | 114.9 | 159 | -52.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 78 | C | 44.3 | Very low | 36.1 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -148.4 | 96.1 | 158.4 | -5.8 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 79 | F | 36.2 | Very low | 36.2 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | 35.7 | 98.8 | 86.5 | -106.5 | -84.7 | 0 | 0 | 0 | 113.1 | |||||
| 80 | Y | 40.2 | Very low | 36.8 | Very low | 233 Ų | 233 | 135.1 Ų | 135.1 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | -147.6 | 120.3 | 128.6 | -114.2 | -83.3 | 0 | 0 | 0 | 109.5 | |||||
| 81 | S | 39.1 | Very low | 36.7 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | trans | -80.3 | -179.7 | 162.9 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 82 | D | 33.3 | Very low | 36.6 | Very low | 132 Ų | 132 | 135 Ų | 135 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | trans | 85.2 | 136.9 | 170 | -81.7 | -59.3 | 0 | 0 | 0 | 116.1 | ||||
| 83 | K | 38.7 | Very low | 36.7 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | cis | -164.2 | 137.3 | 10.7 | -141.2 | 150.1 | -166.1 | 177.2 | 0 | 110.3 | ||||
| 84 | E | 31.3 | Very low | 36.8 | Very low | 157 Ų | 157 | 128 Ų | 128 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 17.3 | 120.8 | 139.6 | -55 | -75.6 | 140.1 | 0 | 0 | 119.5 | ||||
| 85 | I | 35.4 | Very low | 36.9 | Very low | 171 Ų | 171 | 127.8 Ų | 127.8 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -139.3 | 110.7 | 137.1 | -114 | 157.7 | 0 | 0 | 0 | 109.6 | ||||
| 86 | S | 33.1 | Very low | 36.8 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -72.1 | 134.4 | 169 | -69.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 87 | S | 35.2 | Very low | 36.5 | Very low | 118 Ų | 118 | 139.6 Ų | 139.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -143.5 | 114.5 | 150.4 | 53.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 88 | A | 36.7 | Very low | 35.8 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -77.4 | 150.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 89 | S | 40.2 | Very low | 35.3 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -55.6 | 164.9 | 162.5 | -48 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 90 | P | 48.1 | Very low | 35.2 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | trans | -116.9 | 130.8 | 139.1 | 31.7 | -20.8 | 0 | 0 | 0 | 111.5 | ||||
| 91 | S | 34.1 | Very low | 34.9 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -68.9 | 138 | 162.1 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 92 | G | 29.9 | Very low | 34.9 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -130.7 | 108.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 93 | S | 35.5 | Very low | 35.2 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -103.7 | 141.9 | 177.8 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 94 | G | 31.5 | Very low | 35.1 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | 127.2 | 122.7 | 136.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 95 | K | 36.2 | Very low | 35.2 | Very low | 201 Ų | 201 | 137.6 Ų | 137.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 91.9 | 105.8 | 149.3 | -58.6 | -179.4 | 179.8 | 178.9 | 0 | 117.2 | ||||
| 96 | Q | 30.8 | Very low | 35.5 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | 74.5 | 109.9 | 76 | -88.6 | -156.9 | -15.3 | 0 | 0 | 115.4 | |||||
| 97 | R | 31.6 | Very low | 36.1 | Very low | 241 Ų | 241 | 134 Ų | 134 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | 165.5 | 149.4 | 106.8 | -91.7 | -167.5 | -178.4 | -158.2 | 0.5 | 114.3 | |||||
| 98 | G | 31.3 | Very low | 36.4 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | 110.9 | 88.9 | 160 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 99 | H | 33.8 | Very low | 36.5 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | 55.7 | 113.1 | 73.5 | -145.6 | -59.2 | 0 | 0 | 0 | 114.8 | D101 | H99-D101 IonicContact CE1-OD1 3.31Å; H99-D101 PolarHBondContact CE1-OD1 3.22Å; H99-D101 VanDerWaalsContact CE1-OD1 3.31Å; H99-D101 IonicContact CE1-OD2 3.28Å; H99-D101 PolarHBondContact CE1-OD2 3.35Å; H99-D101 VanDerWaalsContact CE1-OD2 3.28Å; H99-D101 IonicContact ND1-OD1 3.89Å; H99-D101 IonicContact ND1-OD2 3.45Å; H99-D101 PolarHBondContact ND1-OD2 3.04Å | |||
| 100 | G | 33.6 | Very low | 36.7 | Very low | 73 Ų | 73 | 141.1 Ų | 141.1 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | 174.1 | 109.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 101 | D | 33.7 | Very low | 35.8 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 56% | 0.561 | 78% | 0.78 | S | S | * | * | trans | -81.7 | 173.1 | -158.1 | -58.8 | -71.7 | 0 | 0 | 0 | 116.5 | H99 | H99-D101 IonicContact CE1-OD1 3.31Å; H99-D101 PolarHBondContact CE1-OD1 3.22Å; H99-D101 VanDerWaalsContact CE1-OD1 3.31Å; H99-D101 IonicContact CE1-OD2 3.28Å; H99-D101 PolarHBondContact CE1-OD2 3.35Å; H99-D101 VanDerWaalsContact CE1-OD2 3.28Å; H99-D101 IonicContact ND1-OD1 3.89Å; H99-D101 IonicContact ND1-OD2 3.45Å; H99-D101 PolarHBondContact ND1-OD2 3.04Å | ||
| 102 | Y | 39.9 | Very low | 36 | Very low | 208 Ų | 208 | 147.9 Ų | 147.9 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | 81.6 | 125.8 | 158.1 | -65.2 | -68.2 | 0 | 0 | 0 | 116.9 | ||||
| 103 | L | 38.5 | Very low | 36 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | cis | -150.1 | 134.7 | 12.2 | -85.9 | 157.5 | 0 | 0 | 0 | 110.3 | ||||
| 104 | H | 37.5 | Very low | 35.8 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | trans | -84.8 | 117.4 | 169 | -178 | 125.9 | 0 | 0 | 0 | 108.4 | ||||
| 105 | F | 33.1 | Very low | 36.4 | Very low | 198 Ų | 198 | 149.7 Ų | 149.7 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | trans | -112.9 | 108.7 | 168.5 | -128.4 | -90.7 | 0 | 0 | 0 | 108.8 | ||||
| 106 | S | 42 | Very low | 36.3 | Very low | 78 Ų | 78 | 146.2 Ų | 146.2 | 55% | 0.545 | 76% | 0.764 | S | S | . | * | trans | -84.8 | 145.5 | 172.9 | -167.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 107 | P | 45.3 | Very low | 36.9 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | -124.9 | 118.7 | 134.2 | 21.4 | -4.3 | 0 | 0 | 0 | 110.1 | Q109 | P107-Q109 PolarHBondContact O-N 3.44Š| ||
| 108 | D | 41.2 | Very low | 37.1 | Very low | 117 Ų | 117 | 141.5 Ų | 141.5 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | trans | -52.8 | 121.2 | 163 | -171.7 | 29.4 | 0 | 0 | 0 | 110.3 | ||||
| 109 | Q | 38 | Very low | 37.5 | Very low | 195 Ų | 195 | 146 Ų | 146 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | -140.2 | 112.5 | 144.4 | -86.8 | -157.9 | 18 | 0 | 0 | 109.8 | P107 Y111 | P107-Q109 PolarHBondContact O-N 3.44Å; Q109-Y111 PolarHBondContact O-N 2.98Å | ||
| 110 | Q | 44.5 | Very low | 38.2 | Very low | 167 Ų | 167 | 145.7 Ų | 145.7 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | -64.1 | 117.5 | 176.3 | -62.4 | 166.8 | -7.8 | 0 | 0 | 111.2 | ||||
| 111 | Y | 30.9 | Very low | 38.5 | Very low | 199 Ų | 199 | 148 Ų | 148 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | trans | -126.3 | 109.6 | 150 | 154.9 | -103.4 | 0 | 0 | 0 | 107.1 | Q109 S113 | Q109-Y111 PolarHBondContact O-N 2.98Å; Y111-S113 PolarHBondContact O-N 2.85Å | ||
| 112 | K | 38.2 | Very low | 39.1 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | trans | -61.7 | 112.7 | 174.2 | -86.7 | 174.5 | 172 | 175.1 | 0 | 109.2 | ||||
| 113 | S | 29.2 | Very low | 39 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -91.9 | 91.1 | 156.2 | -169.6 | 0 | 0 | 0 | 0 | 108.1 | Y111 S115 | Y111-S113 PolarHBondContact O-N 2.85Å; S113-S115 PolarHBondContact O-N 3.26Å | ||
| 114 | S | 32 | Very low | 39.5 | Very low | 92 Ų | 92 | 150.2 Ų | 150.2 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | trans | -67.7 | 127.5 | 170.6 | 50.2 | 0 | 0 | 0 | 0 | 110.1 | V116 | S114-V116 PolarHBondContact O-N 3.07Š| ||
| 115 | S | 43.5 | Very low | 39.7 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | trans | -46.3 | 126.8 | 166.4 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | S113 | S113-S115 PolarHBondContact O-N 3.26Š| ||
| 116 | V | 34.7 | Very low | 40.7 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | trans | -127.3 | 117.5 | 160.8 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | S114 T118 | S114-V116 PolarHBondContact O-N 3.07Å; V116-T118 PolarHBondContact O-N 2.83Å | ||
| 117 | Q | 42.1 | Very low | 41 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -53.1 | 123.5 | 170.4 | -71.3 | 175.1 | -13.9 | 0 | 0 | 110.1 | K119 | Q117-K119 PolarHBondContact O-N 3.07Š| ||
| 118 | T | 35.4 | Very low | 41.3 | Very low | 144 Ų | 144 | 150 Ų | 150 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -82.6 | 97.5 | 170.9 | -17.1 | 0 | 0 | 0 | 0 | 108.5 | V116 | V116-T118 PolarHBondContact O-N 2.83Š| ||
| 119 | K | 40.5 | Very low | 41.8 | Very low | 168 Ų | 168 | 152.7 Ų | 152.7 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | trans | -75.7 | 130.9 | 159.7 | -70.4 | -161.1 | 177.7 | -172.6 | 0 | 108.4 | Q117 V121 | Q117-K119 PolarHBondContact O-N 3.07Å; K119-V121 PolarHBondContact O-N 2.77Å | ||
| 120 | I | 49.4 | Very low | 42.5 | Very low | 166 Ų | 166 | 153.5 Ų | 153.5 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -65.1 | 114.8 | 171 | -62 | 169.3 | 0 | 0 | 0 | 107.6 | ||||
| 121 | V | 38.3 | Very low | 43.7 | Very low | 123 Ų | 123 | 151.7 Ų | 151.7 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | -134.4 | 123.6 | 164.6 | -176.1 | 0 | 0 | 0 | 0 | 106.6 | K119 D123 | K119-V121 PolarHBondContact O-N 2.77Å; V121-D123 PolarHBondContact O-N 3Å | ||
| 122 | N | 46.8 | Very low | 45.9 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -58.9 | 125.1 | 170.2 | -72.7 | -36.2 | 0 | 0 | 0 | 109.4 | ||||
| 123 | D | 38 | Very low | 48 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | -136 | 111.5 | 167.4 | -168 | 53.4 | 0 | 0 | 0 | 109.3 | V121 G125 | V121-D123 PolarHBondContact O-N 3Å; D123-G125 PolarHBondContact O-N 3.35Å | ||
| 124 | E | 49 | Very low | 50.6 | Low | 201 Ų | 201 | 140.6 Ų | 140.6 | 94% | 0.939 | 75% | 0.754 | S | S | * | * | trans | -77 | 101.6 | 169.6 | -95.9 | -88.4 | 135 | 0 | 0 | 107.7 | ||||
| 125 | G | 42.4 | Very low | 53.3 | Low | 41 Ų | 41 | 142.4 Ų | 142.4 | 42% | 0.423 | 75% | 0.748 | S | S | . | * | trans | -170.4 | 80.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D123 D127 | D123-G125 PolarHBondContact O-N 3.35Å; G125-D127 PolarHBondContact O-N 3.09Å | ||
| 126 | T | 52.5 | Low | 55.4 | Low | 142 Ų | 142 | 141.4 Ų | 141.4 | 87% | 0.871 | 74% | 0.738 | S | S | * | * | trans | 32.6 | 56.8 | 138.9 | 46.9 | 0 | 0 | 0 | 0 | 120.3 | R128 | T126-R128 PolarHBondContact O-N 3.29Š| ||
| 127 | D | 48.3 | Very low | 57.9 | Low | 137 Ų | 137 | 145 Ų | 145 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | -99.1 | 67.5 | 162.7 | -100.8 | -27.9 | 0 | 0 | 0 | 112.2 | G125 K129 | G125-D127 PolarHBondContact O-N 3.09Å; D127-K129 WeakPolarHBondContact OD1-CE 3.4Å | ||
| 128 | R | 52.8 | Low | 60.1 | Low | 243 Ų | 243 | 141.6 Ų | 141.6 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | trans | -105.9 | 55.2 | 163.6 | -111.4 | -171.1 | 173.9 | -172.1 | -0 | 109.7 | T126 Y130 | T126-R128 PolarHBondContact O-N 3.29Å; R128-Y130 PolarHBondContact O-N 3.4Å | ||
| 129 | K | 52.1 | Low | 62.3 | Low | 174 Ų | 174 | 139.7 Ų | 139.7 | 76% | 0.757 | 71% | 0.705 | S | S | * | * | trans | -82.8 | 107.5 | 179.5 | -61.1 | -162.2 | -174.6 | 179.5 | 0 | 110.8 | D127 | D127-K129 WeakPolarHBondContact OD1-CE 3.4Š| ||
| 130 | Y | 52.6 | Low | 64.2 | Low | 211 Ų | 211 | 139.1 Ų | 139.1 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | trans | 58.6 | 68.1 | 155.4 | -116.3 | -93.8 | 0 | 0 | 0 | 117.1 | R128 S132 | R128-Y130 PolarHBondContact O-N 3.4Å; Y130-S132 PolarHBondContact O-N 3.36Å | ||
| 131 | T | 70 | Confident | 65 | Low | 130 Ų | 130 | 138.6 Ų | 138.6 | 80% | 0.798 | 69% | 0.694 | S | S | * | * | trans | -71.6 | 105.7 | 155.3 | 74.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 132 | S | 75.6 | Confident | 66.2 | Low | 87 Ų | 87 | 139.9 Ų | 139.9 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | trans | -48 | 134.3 | 172.5 | -69.2 | 0 | 0 | 0 | 0 | 109.7 | Y130 V134 | Y130-S132 PolarHBondContact O-N 3.36Å; S132-V134 PolarHBondContact O-N 2.99Å | ||
| 133 | P | 82.4 | Confident | 66.5 | Low | 86 Ų | 86 | 135 Ų | 135 | 56% | 0.558 | 67% | 0.674 | S | S | * | * | trans | -61.3 | 118.5 | -178.5 | 24.8 | -32.7 | 0 | 0 | 0 | 108.8 | Y135 | P133-Y135 PolarHBondContact O-N 3.1Š| ||
| 134 | V | 85.2 | Confident | 66.9 | Low | 87 Ų | 87 | 133.5 Ų | 133.5 | 53% | 0.527 | 68% | 0.675 | S | S | . | * | trans | -72 | 102.4 | 175.3 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | S132 M138 Q139 | S132-V134 PolarHBondContact O-N 2.99Å; V134-M138 HydrophobicContact CG1-CB 3.77Å; V134-Q139 HydrophobicContact CG1-CG 3.66Å | ||
| 135 | Y | 88.4 | Confident | 67.2 | Low | 130 Ų | 130 | 129 Ų | 129 | 51% | 0.51 | 67% | 0.671 | S | S | . | * | trans | -60.2 | 148.5 | 177.3 | -62.3 | -76.4 | 0 | 0 | 0 | 110.6 | P133 W137 M138 Q139 | P133-Y135 PolarHBondContact O-N 3.1Å; Y135-W137 VanDerWaalsContact CB-CD1 3.48Å; Y135-W137 HydrophobicContact CD2-CZ2 4.4Å; Y135-W137 AromaticContact CG-NE1 3.74Å; Y135-W137 PolarHBondContact O-N 3.42Å; Y135-M138 HydrophobicContact CD2-SD 3.65Å; Y135-M138 HydrophobicContact CG-SD 4.43Å; Y135-M138 WeakPolarHBondContact O-CA 3.34Å; Y135-M138 WeakPolarHBondContact O-CB 3.47Å; Y135-M138 PolarHBondContact O-N 2.99Å; Y135-Q139 PolarHBondContact O-N 3.27Å | ||
| 136 | P | 87.2 | Confident | 67.6 | Low | 94 Ų | 94 | 130.4 Ų | 130.4 | 61% | 0.61 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53 | -28.7 | -176.9 | -30.1 | 36.1 | 0 | 0 | 0 | 115.2 | Q139 | P136-Q139 WeakPolarHBondContact O-CB 3.43Å; P136-Q139 PolarHBondContact O-N 3.45Å |
| 137 | W | 88 | Confident | 67.1 | Low | 203 Ų | 203 | 129.5 Ų | 129.5 | 77% | 0.769 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -24.1 | 176.1 | 65.4 | -96 | 0 | 0 | 0 | 114 | Y135 Q139 | Y135-W137 VanDerWaalsContact CB-CD1 3.48Å; Y135-W137 HydrophobicContact CD2-CZ2 4.4Å; Y135-W137 AromaticContact CG-NE1 3.74Å; Y135-W137 PolarHBondContact O-N 3.42Å; W137-Q139 VanDerWaalsContact C-N 3.26Å |
| 138 | M | 86.7 | Confident | 67.2 | Low | 97 Ų | 97 | 129.5 Ų | 129.5 | 48% | 0.478 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.4 | -18.4 | 175.4 | -63.3 | 177 | 72.1 | 0 | 0 | 111.5 | V134 Y135 R140 | V134-M138 HydrophobicContact CG1-CB 3.77Å; Y135-M138 HydrophobicContact CD2-SD 3.65Å; Y135-M138 HydrophobicContact CG-SD 4.43Å; Y135-M138 WeakPolarHBondContact O-CA 3.34Å; Y135-M138 WeakPolarHBondContact O-CB 3.47Å; Y135-M138 PolarHBondContact O-N 2.99Å; M138-R140 PolarHBondContact O-N 3.07Å |
| 139 | Q | 83.2 | Confident | 66.8 | Low | 105 Ų | 105 | 128 Ų | 128 | 49% | 0.491 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -72.4 | 120.9 | 177.2 | -59.7 | -178 | -8.3 | 0 | 0 | 109.3 | V134 Y135 P136 W137 M141 | V134-Q139 HydrophobicContact CG1-CG 3.66Å; Y135-Q139 PolarHBondContact O-N 3.27Å; P136-Q139 WeakPolarHBondContact O-CB 3.43Å; P136-Q139 PolarHBondContact O-N 3.45Å; W137-Q139 VanDerWaalsContact C-N 3.26Å; Q139-M141 PolarHBondContact O-N 3.46Å |
| 140 | R | 79.6 | Confident | 66.4 | Low | 155 Ų | 155 | 122.6 Ų | 122.6 | 59% | 0.585 | 68% | 0.675 | S | S | * | * | trans | -70.4 | 94.9 | 172.8 | -86.9 | -168.8 | -79.5 | 157.6 | -13.4 | 109.3 | M138 N142 S143 | M138-R140 PolarHBondContact O-N 3.07Å; R140-N142 PolarHBondContact O-N 2.87Å; R140-S143 WeakPolarHBondContact CB-OG 3.44Å; R140-S143 PolarHBondContact NH1-OG 3.07Å; R140-S143 VanDerWaalsContact NH1-OG 3.16Å; R140-S143 PolarHBondContact O-N 3.44Å | ||
| 141 | M | 65.3 | Low | 66.4 | Low | 156 Ų | 156 | 118.2 Ų | 118.2 | 77% | 0.768 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -6.2 | 175.5 | -116.9 | 85.5 | 78.3 | 0 | 0 | 115.2 | Q139 | Q139-M141 PolarHBondContact O-N 3.46Š|
| 142 | N | 63.4 | Low | 65.5 | Low | 149 Ų | 149 | 121.2 Ų | 121.2 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 2.5 | -170.4 | -50.8 | 47.7 | 0 | 0 | 0 | 112.7 | R140 C144 | R140-N142 PolarHBondContact O-N 2.87Å; N142-C144 PolarHBondContact O-N 3.14Å |
| 143 | S | 54.9 | Low | 64.7 | Low | 57 Ų | 57 | 119.7 Ų | 119.7 | 40% | 0.399 | 68% | 0.678 | S | S | . | * | trans | -88.6 | 94 | 171.3 | -54.8 | 0 | 0 | 0 | 0 | 107.3 | R140 A145 | R140-S143 WeakPolarHBondContact CB-OG 3.44Å; R140-S143 PolarHBondContact NH1-OG 3.07Å; R140-S143 VanDerWaalsContact NH1-OG 3.16Å; R140-S143 PolarHBondContact O-N 3.44Å; S143-A145 PolarHBondContact O-N 3.4Å | ||
| 144 | C | 46.2 | Very low | 63.8 | Low | 119 Ų | 119 | 125.6 Ų | 125.6 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | trans | -64 | 92.1 | 162.9 | 48.6 | 0 | 0 | 0 | 0 | 108 | N142 G146 | N142-C144 PolarHBondContact O-N 3.14Å; C144-G146 PolarHBondContact O-N 2.97Å | ||
| 145 | A | 54.2 | Low | 63.3 | Low | 105 Ų | 105 | 132.9 Ų | 132.9 | 87% | 0.868 | 71% | 0.707 | S | S | * | * | trans | -74.3 | 102.4 | 163 | 0 | 0 | 0 | 0 | 0 | 106.7 | S143 | S143-A145 PolarHBondContact O-N 3.4Š| ||
| 146 | G | 51.4 | Low | 62.9 | Low | 72 Ų | 72 | 130.2 Ų | 130.2 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | trans | 174.4 | 27.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | C144 | C144-G146 PolarHBondContact O-N 2.97Š| ||
| 147 | T | 41.4 | Very low | 63 | Low | 122 Ų | 122 | 137.2 Ų | 137.2 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | -155.3 | 134.4 | 157.8 | 129.8 | 0 | 0 | 0 | 0 | 108.7 | Y149 | T147-Y149 PolarHBondContact O-N 3.48Š| ||
| 148 | V | 50.9 | Low | 63.3 | Low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -79.8 | 13.6 | -163.5 | 170 | 0 | 0 | 0 | 0 | 113.4 | ||
| 149 | Y | 43.4 | Very low | 63.7 | Low | 211 Ų | 211 | 135.6 Ų | 135.6 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -131.4 | 109.7 | 177.1 | -76.6 | -87 | 0 | 0 | 0 | 112.5 | T147 | T147-Y149 PolarHBondContact O-N 3.48Š|
| 150 | G | 45.1 | Very low | 64.4 | Low | 61 Ų | 61 | 133.8 Ų | 133.8 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | trans | 85.7 | 100.3 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | H152 | G150-H152 PolarHBondContact O-N 3.31Š| ||
| 151 | S | 52.5 | Low | 65.4 | Low | 120 Ų | 120 | 130.1 Ų | 130.1 | 84% | 0.839 | 73% | 0.725 | S | S | * | * | trans | 27 | 66.7 | 134.9 | -162.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 152 | H | 51.7 | Low | 66.9 | Low | 192 Ų | 192 | 132.6 Ų | 132.6 | 89% | 0.889 | 73% | 0.726 | S | S | * | * | trans | -125.3 | 65.9 | 162.9 | -78.6 | -22.4 | 0 | 0 | 0 | 111.6 | G150 | G150-H152 PolarHBondContact O-N 3.31Š| ||
| 153 | G | 57.9 | Low | 68.6 | Low | 55 Ų | 55 | 132 Ų | 132 | 57% | 0.567 | 71% | 0.713 | S | S | * | * | trans | -59.7 | 137.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 154 | R | 62.9 | Low | 70.7 | Confident | 210 Ų | 210 | 130.5 Ų | 130.5 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 44.1 | 104.5 | 170.5 | -51.8 | -159.1 | -161.5 | -99.6 | 7.7 | 114.6 | G156 | R154-G156 PolarHBondContact O-N 2.65Š|
| 155 | R | 75.1 | Confident | 73.2 | Confident | 240 Ų | 240 | 127.5 Ų | 127.5 | 91% | 0.906 | 68% | 0.678 | S | S | * | * | trans | -43.5 | 112.5 | 165.3 | -63.7 | -178.6 | -165.2 | 178.6 | 3.6 | 109.2 | R157 | R155-R157 PolarHBondContact O-N 2.94Š| ||
| 156 | G | 80.3 | Confident | 75.3 | Confident | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 132.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | R154 Q158 | R154-G156 PolarHBondContact O-N 2.65Å; G156-Q158 PolarHBondContact O-N 2.94Å |
| 157 | R | 89.4 | Confident | 77.5 | Confident | 240 Ų | 240 | 125.9 Ų | 125.9 | 91% | 0.906 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 116.8 | 174.3 | -71.4 | -179.7 | 179.7 | -90.8 | 1.7 | 107.9 | R155 T159 | R155-R157 PolarHBondContact O-N 2.94Å; R157-T159 PolarHBondContact O-N 3.37Å |
| 158 | Q | 93.4 | Very high | 80.3 | Confident | 157 Ų | 157 | 120.1 Ų | 120.1 | 73% | 0.734 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -66 | 131.4 | 167.4 | -175.3 | 57.8 | 48.2 | 0 | 0 | 109.5 | G156 | G156-Q158 PolarHBondContact O-N 2.94Š|
| 159 | T | 96.3 | Very high | 82.5 | Confident | 109 Ų | 109 | 115.9 Ų | 115.9 | 67% | 0.669 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 147 | 171.8 | 54.9 | 0 | 0 | 0 | 0 | 110.1 | R157 | R157-T159 PolarHBondContact O-N 3.37Š|
| 160 | Y | 98.3 | Very high | 85.2 | Confident | 68 Ų | 68 | 111.3 Ų | 111.3 | 27% | 0.267 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -78.3 | 147.5 | 172.9 | -59.8 | -48.2 | 0 | 0 | 0 | 110.4 | L192 W200 | Y160-L192 HydrophobicContact CD1-CD1 4.03Å; Y160-L192 HydrophobicContact CD1-CD2 3.85Å; Y160-L192 HydrophobicContact CE1-CD1 3.91Å; Y160-L192 HydrophobicContact CE1-CD2 3.62Å; Y160-L192 HydrophobicContact CE1-CG 4.44Å; Y160-W200 AromaticContact CD2-CD1 3.88Å; Y160-W200 AromaticContact CE2-CD1 3.61Å |
| 161 | T | 98.6 | Very high | 87.7 | Confident | 78 Ų | 78 | 109 Ų | 109 | 48% | 0.479 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 164.7 | 174.5 | 73 | 0 | 0 | 0 | 0 | 110.7 | Y163 Q164 T165 | T161-Y163 VanDerWaalsContact C-N 3.32Å; T161-Y163 PolarHBondContact O-N 3.21Å; T161-Q164 PolarHBondContact O-N 3.37Å; T161-Q164 VanDerWaalsContact OG1-CG 3.32Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.43Å; T161-Q164 PolarHBondContact OG1-N 3.08Å; T161-T165 PolarHBondContact O-N 3.07Å; T161-T165 PolarHBondContact O-OG1 2.82Å |
| 162 | R | 98.5 | Very high | 89.9 | Confident | 207 Ų | 207 | 103.3 Ų | 103.3 | 78% | 0.781 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.2 | -45.3 | 175.4 | -174.1 | 174.7 | -177.6 | -117.3 | 1.2 | 111.4 | T165 L166 | R162-T165 PolarHBondContact O-N 2.82Å; R162-L166 HydrophobicContact CG-CD1 4.13Å; R162-L166 WeakPolarHBondContact O-CG 3.37Å; R162-L166 PolarHBondContact O-N 3.31Å |
| 163 | Y | 98.6 | Very high | 92.1 | Very high | 136 Ų | 136 | 99.5 Ų | 99.5 | 53% | 0.533 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.3 | -48.9 | 177.6 | 173.2 | -106.2 | 0 | 0 | 0 | 112.1 | T161 T165 L166 E167 L190 | T161-Y163 VanDerWaalsContact C-N 3.32Å; T161-Y163 PolarHBondContact O-N 3.21Å; Y163-T165 VanDerWaalsContact C-N 3.3Å; Y163-T165 PolarHBondContact O-N 3.03Å; Y163-L166 PolarHBondContact O-N 3.42Å; Y163-E167 HydrophobicContact CD2-CG 4.33Å; Y163-E167 HydrophobicContact CE1-CG 4.39Å; Y163-E167 HydrophobicContact CE2-CG 3.76Å; Y163-E167 PolarHBondContact O-N 3.01Å; Y163-L190 HydrophobicContact CD1-CD2 4.11Å; Y163-L190 HydrophobicContact CE1-CD2 3.56Å |
| 164 | Q | 98.6 | Very high | 94.1 | Very high | 27 Ų | 27 | 104.9 Ų | 104.9 | 13% | 0.126 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 177.5 | -72.7 | 172.9 | -26.7 | 0 | 0 | 111.7 | T161 L168 L190 | T161-Q164 PolarHBondContact O-N 3.37Å; T161-Q164 VanDerWaalsContact OG1-CG 3.32Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.43Å; T161-Q164 PolarHBondContact OG1-N 3.08Å; Q164-L168 WeakPolarHBondContact O-CB 3.43Å; Q164-L168 WeakPolarHBondContact O-CD1 3.45Å; Q164-L168 WeakPolarHBondContact O-CG 3.3Å; Q164-L168 PolarHBondContact O-N 3.08Å; Q164-L190 HydrophobicContact CG-CB 4.27Å; Q164-L190 PolarHBondContact NE2-O 2.91Å |
| 165 | T | 98.6 | Very high | 95.7 | Very high | 55 Ų | 55 | 98.3 Ų | 98.3 | 34% | 0.337 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 179.6 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | T161 R162 Y163 L168 E169 | T161-T165 PolarHBondContact O-N 3.07Å; T161-T165 PolarHBondContact O-OG1 2.82Å; R162-T165 PolarHBondContact O-N 2.82Å; Y163-T165 VanDerWaalsContact C-N 3.3Å; Y163-T165 PolarHBondContact O-N 3.03Å; T165-L168 PolarHBondContact O-N 2.98Å; T165-E169 WeakPolarHBondContact O-CG 3.48Å; T165-E169 PolarHBondContact O-N 3.42Å |
| 166 | L | 98.6 | Very high | 96.8 | Very high | 95 Ų | 95 | 90.6 Ų | 90.6 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.4 | -46.9 | 179.8 | -72.1 | 171.9 | 0 | 0 | 0 | 112.1 | R162 Y163 L168 E169 K170 | R162-L166 HydrophobicContact CG-CD1 4.13Å; R162-L166 WeakPolarHBondContact O-CG 3.37Å; R162-L166 PolarHBondContact O-N 3.31Å; Y163-L166 PolarHBondContact O-N 3.42Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L166-L168 PolarHBondContact O-N 3.36Å; L166-E169 PolarHBondContact O-N 3.23Å; L166-K170 WeakPolarHBondContact O-CB 3.38Å; L166-K170 PolarHBondContact O-N 3.2Å |
| 167 | E | 98.6 | Very high | 97.6 | Very high | 48 Ų | 48 | 94 Ų | 94 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 177.9 | -74 | -60 | 116.9 | 0 | 0 | 111.7 | Y163 K170 E171 L190 | Y163-E167 HydrophobicContact CD2-CG 4.33Å; Y163-E167 HydrophobicContact CE1-CG 4.39Å; Y163-E167 HydrophobicContact CE2-CG 3.76Å; Y163-E167 PolarHBondContact O-N 3.01Å; E167-K170 PolarHBondContact O-N 3.43Å; E167-K170 IonicContact OE1-NZ 3.26Å; E167-K170 PolarHBondContact OE1-NZ 3.4Å; E167-K170 IonicContact OE2-NZ 2.85Å; E167-K170 PolarHBondContact OE2-NZ 2.86Å; E167-E171 WeakPolarHBondContact O-CB 3.43Å; E167-E171 VanDerWaalsContact O-CG 3.3Å; E167-E171 WeakPolarHBondContact O-CG 3.41Å; E167-E171 PolarHBondContact O-N 3.16Å; E167-L190 HydrophobicContact CB-CD1 4.08Å; E167-L190 HydrophobicContact CB-CD2 3.8Å; E167-L190 HydrophobicContact CB-CG 4.5Å; E167-L190 HydrophobicContact CG-CD2 4.04Å |
| 168 | L | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 175 | -71.4 | 167.2 | 0 | 0 | 0 | 112.7 | Q164 T165 L166 F172 I186 L190 L192 I197 W200 F201 | Q164-L168 WeakPolarHBondContact O-CB 3.43Å; Q164-L168 WeakPolarHBondContact O-CD1 3.45Å; Q164-L168 WeakPolarHBondContact O-CG 3.3Å; Q164-L168 PolarHBondContact O-N 3.08Å; T165-L168 PolarHBondContact O-N 2.98Å; L166-L168 VanDerWaalsContact C-N 3.31Å; L166-L168 PolarHBondContact O-N 3.36Å; L168-F172 WeakPolarHBondContact O-CB 3.35Å; L168-F172 PolarHBondContact O-N 3.43Å; L168-I186 HydrophobicContact CD2-CG2 4.22Å; L168-L190 HydrophobicContact CD1-CD1 4.47Å; L168-L190 HydrophobicContact CD2-CD1 4.01Å; L168-L190 HydrophobicContact CG-CD1 3.8Å; L168-L192 HydrophobicContact CD1-CD1 4.31Å; L168-I197 HydrophobicContact CD2-CD1 3.78Å; L168-W200 VanDerWaalsContact C-CH2 3.47Å; L168-W200 HydrophobicContact CB-CD2 3.89Å; L168-W200 HydrophobicContact CB-CE3 3.9Å; L168-W200 HydrophobicContact CB-CH2 3.63Å; L168-W200 HydrophobicContact CB-CZ2 3.59Å; L168-W200 HydrophobicContact CB-CZ3 3.78Å; L168-W200 HydrophobicContact CD1-CD2 3.87Å; L168-W200 HydrophobicContact CD1-CG 3.83Å; L168-W200 HydrophobicContact CD2-CD2 4.29Å; L168-W200 HydrophobicContact CD2-CE3 4.21Å; L168-W200 HydrophobicContact CG-CD2 4.24Å; L168-W200 HydrophobicContact CG-CE3 4.45Å; L168-W200 WeakPolarHBondContact O-CH2 3.41Å; L168-W200 WeakPolarHBondContact O-CZ3 3.48Å; L168-F201 HydrophobicContact CD2-CE2 4.09Å |
| 169 | E | 98.6 | Very high | 98.3 | Very high | 48 Ų | 48 | 80.6 Ų | 80.6 | 22% | 0.224 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | 174.9 | -72.7 | -72.4 | 170.3 | 0 | 0 | 111.1 | T165 L166 E171 F172 H173 W200 R204 | T165-E169 WeakPolarHBondContact O-CG 3.48Å; T165-E169 PolarHBondContact O-N 3.42Å; L166-E169 PolarHBondContact O-N 3.23Å; E169-E171 PolarHBondContact O-N 3.03Å; E169-F172 WeakPolarHBondContact O-CB 3.17Å; E169-F172 PolarHBondContact O-N 3.23Å; E169-F172 VanDerWaalsContact O-N 3.14Å; E169-H173 PolarHBondContact O-CD2 3.22Å; E169-H173 PolarHBondContact O-N 3.14Å; E169-W200 HydrophobicContact CG-CH2 4.1Å; E169-W200 HydrophobicContact CG-CZ2 4.12Å; E169-R204 IonicContact OE1-CZ 4Å; E169-R204 IonicContact OE1-NE 3.09Å; E169-R204 PolarHBondContact OE1-NE 3.45Å; E169-R204 VanDerWaalsContact OE1-NE 3.14Å; E169-R204 IonicContact OE2-CZ 3.85Å; E169-R204 IonicContact OE2-NE 3.34Å; E169-R204 PolarHBondContact OE2-NE 2.84Å; E169-R204 IonicContact OE2-NH2 2.82Å; E169-R204 PolarHBondContact OE2-NH2 2.98Å |
| 170 | K | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 81.8 Ų | 81.8 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -55.4 | -49.8 | 175.1 | 171.9 | -176.1 | 155.1 | -157.1 | 0 | 111.6 | L166 E167 F172 H173 F174 | L166-K170 WeakPolarHBondContact O-CB 3.38Å; L166-K170 PolarHBondContact O-N 3.2Å; E167-K170 PolarHBondContact O-N 3.43Å; E167-K170 IonicContact OE1-NZ 3.26Å; E167-K170 PolarHBondContact OE1-NZ 3.4Å; E167-K170 IonicContact OE2-NZ 2.85Å; E167-K170 PolarHBondContact OE2-NZ 2.86Å; K170-F172 VanDerWaalsContact C-N 3.32Å; K170-F172 PolarHBondContact O-N 3.4Å; K170-H173 PolarHBondContact O-N 3.45Å; K170-F174 PolarHBondContact O-N 2.8Å; K170-F174 VanDerWaalsContact O-N 3.07Å |
| 171 | E | 98.5 | Very high | 98.4 | Very high | 13 Ų | 13 | 87.3 Ų | 87.3 | 6% | 0.061 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 176.8 | -73 | -63.6 | 133.9 | 0 | 0 | 112.3 | E167 E169 F174 N175 R182 I186 F201 | E167-E171 WeakPolarHBondContact O-CB 3.43Å; E167-E171 VanDerWaalsContact O-CG 3.3Å; E167-E171 WeakPolarHBondContact O-CG 3.41Å; E167-E171 PolarHBondContact O-N 3.16Å; E169-E171 PolarHBondContact O-N 3.03Å; E171-F174 PolarHBondContact O-N 2.84Å; E171-N175 PolarHBondContact O-N 3.31Å; E171-R182 IonicContact OE1-CZ 3.9Å; E171-R182 IonicContact OE1-NE 3.37Å; E171-R182 IonicContact OE1-NH2 3.14Å; E171-R182 PolarHBondContact OE1-NH2 2.99Å; E171-R182 IonicContact OE2-CZ 3.66Å; E171-R182 IonicContact OE2-NE 2.65Å; E171-R182 PolarHBondContact OE2-NE 3.34Å; E171-R182 IonicContact OE2-NH2 3.07Å; E171-R182 PolarHBondContact OE2-NH2 2.77Å; E171-R182 VanDerWaalsContact OE2-NH2 3.07Å; E171-I186 HydrophobicContact CB-CD1 4.03Å; E171-I186 HydrophobicContact CG-CD1 3.64Å; E171-I186 HydrophobicContact CG-CG1 4.09Å; E171-F201 HydrophobicContact CB-CZ 4.05Å |
| 172 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 87.8 Ų | 87.8 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.6 | -175.5 | -105 | 0 | 0 | 0 | 111.6 | L168 E169 K170 F174 N175 R176 W200 F201 R204 R205 W208 | L168-F172 WeakPolarHBondContact O-CB 3.35Å; L168-F172 PolarHBondContact O-N 3.43Å; E169-F172 WeakPolarHBondContact O-CB 3.17Å; E169-F172 PolarHBondContact O-N 3.23Å; E169-F172 VanDerWaalsContact O-N 3.14Å; K170-F172 VanDerWaalsContact C-N 3.32Å; K170-F172 PolarHBondContact O-N 3.4Å; F172-F174 VanDerWaalsContact C-N 3.31Å; F172-F174 PolarHBondContact O-N 3.49Å; F172-N175 CarbonylContact O-C 3.43Å; F172-N175 PolarHBondContact O-N 3.5Å; F172-R176 VanDerWaalsContact CE1-CD 3.42Å; F172-R176 HydrophobicContact CE2-CB 3.97Å; F172-R176 HydrophobicContact CE2-CG 4.43Å; F172-R176 HydrophobicContact CZ-CB 4.3Å; F172-R176 HydrophobicContact CZ-CG 4.34Å; F172-R176 WeakPolarHBondContact O-CD 3.48Å; F172-R176 PolarHBondContact O-N 3.34Å; F172-R176 PolarHBondContact O-NE 3.43Å; F172-W200 HydrophobicContact CB-CH2 4.34Å; F172-W200 HydrophobicContact CB-CZ3 4.06Å; F172-F201 HydrophobicContact CB-CE1 4.23Å; F172-F201 HydrophobicContact CB-CZ 4.35Å; F172-F201 AromaticContact CD2-CD1 3.97Å; F172-F201 HydrophobicContact CD2-CD1 3.97Å; F172-F201 AromaticContact CD2-CE1 3.91Å; F172-F201 HydrophobicContact CD2-CE1 3.91Å; F172-R204 HydrophobicContact CB-CG 4.39Å; F172-R204 HydrophobicContact CD1-CG 3.65Å; F172-R204 HydrophobicContact CD2-CB 4.29Å; F172-R204 HydrophobicContact CD2-CG 3.65Å; F172-R204 HydrophobicContact CE1-CG 3.71Å; F172-R204 HydrophobicContact CE2-CB 4.26Å; F172-R204 HydrophobicContact CE2-CG 3.72Å; F172-R204 HydrophobicContact CG-CG 3.61Å; F172-R204 HydrophobicContact CZ-CG 3.75Å; F172-R205 HydrophobicContact CE2-CG 3.72Å; F172-R205 HydrophobicContact CZ-CG 4.22Å; F172-W208 HydrophobicContact CE1-CB 4.25Å; F172-W208 HydrophobicContact CE1-CG 4.32Å; F172-W208 HydrophobicContact CZ-CB 4.06Å; F172-W208 HydrophobicContact CZ-CG 4.26Å |
| 173 | H | 98.1 | Very high | 98.4 | Very high | 112 Ų | 112 | 80.3 Ų | 80.3 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 175.9 | -78.4 | -67.8 | 0 | 0 | 0 | 111.8 | E169 K170 R176 | E169-H173 PolarHBondContact O-CD2 3.22Å; E169-H173 PolarHBondContact O-N 3.14Å; K170-H173 PolarHBondContact O-N 3.45Å; H173-R176 PolarHBondContact O-NH2 3.33Å |
| 174 | F | 98.3 | Very high | 98.4 | Very high | 169 Ų | 169 | 76.7 Ų | 76.7 | 74% | 0.741 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.6 | -50 | 175.4 | 179.3 | -103.4 | 0 | 0 | 0 | 112.4 | K170 E171 F172 | K170-F174 PolarHBondContact O-N 2.8Å; K170-F174 VanDerWaalsContact O-N 3.07Å; E171-F174 PolarHBondContact O-N 2.84Å; F172-F174 VanDerWaalsContact C-N 3.31Å; F172-F174 PolarHBondContact O-N 3.49Å |
| 175 | N | 97.3 | Very high | 98.4 | Very high | 72 Ų | 72 | 78.5 Ų | 78.5 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | trans | -147.6 | 123.8 | 175.5 | -170.1 | -13.1 | 0 | 0 | 0 | 111.6 | E171 F172 Y177 | E171-N175 PolarHBondContact O-N 3.31Å; F172-N175 CarbonylContact O-C 3.43Å; F172-N175 PolarHBondContact O-N 3.5Å; N175-Y177 PolarHBondContact ND2-O 2.99Å; N175-Y177 VanDerWaalsContact ND2-O 3.07Å; N175-Y177 PolarHBondContact O-N 2.9Å; N175-Y177 VanDerWaalsContact O-N 3.16Å; N175-Y177 PolarHBondContact OD1-N 3.07Å; N175-Y177 PolarHBondContact OD1-O 3.45Å | ||
| 176 | R | 97.9 | Very high | 98.4 | Very high | 78 Ų | 78 | 76.3 Ų | 76.3 | 29% | 0.294 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -69.2 | -14 | -178.4 | -50.1 | -59.6 | 152.9 | 106.6 | 2.9 | 113.6 | F172 H173 R205 | F172-R176 VanDerWaalsContact CE1-CD 3.42Å; F172-R176 HydrophobicContact CE2-CB 3.97Å; F172-R176 HydrophobicContact CE2-CG 4.43Å; F172-R176 HydrophobicContact CZ-CB 4.3Å; F172-R176 HydrophobicContact CZ-CG 4.34Å; F172-R176 WeakPolarHBondContact O-CD 3.48Å; F172-R176 PolarHBondContact O-N 3.34Å; F172-R176 PolarHBondContact O-NE 3.43Å; H173-R176 PolarHBondContact O-NH2 3.33Å; R176-R205 WeakPolarHBondContact O-CD 3.41Å |
| 177 | Y | 98.4 | Very high | 98.4 | Very high | 146 Ų | 146 | 72 Ų | 72 | 57% | 0.573 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -133.5 | 128.8 | -178.5 | -63.6 | -107.2 | 0 | 0 | 0 | 110 | N175 R205 | N175-Y177 PolarHBondContact ND2-O 2.99Å; N175-Y177 VanDerWaalsContact ND2-O 3.07Å; N175-Y177 PolarHBondContact O-N 2.9Å; N175-Y177 VanDerWaalsContact O-N 3.16Å; N175-Y177 PolarHBondContact OD1-N 3.07Å; N175-Y177 PolarHBondContact OD1-O 3.45Å; Y177-R205 VanDerWaalsContact CD1-NH1 3.26Å |
| 178 | L | 98.4 | Very high | 98.4 | Very high | 31 Ų | 31 | 75.3 Ų | 75.3 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | trans | -91.6 | 140.3 | 178.9 | -63.1 | -179.5 | 0 | 0 | 0 | 112.3 | R182 I186 I197 F201 | L178-R182 HydrophobicContact CD2-CG 3.91Å; L178-I186 HydrophobicContact CD1-CD1 3.94Å; L178-I186 HydrophobicContact CD2-CD1 3.87Å; L178-I197 HydrophobicContact CD1-CG2 3.51Å; L178-F201 HydrophobicContact CD1-CD1 4.17Å; L178-F201 HydrophobicContact CD1-CD2 3.61Å; L178-F201 HydrophobicContact CD1-CE1 3.99Å; L178-F201 HydrophobicContact CD1-CE2 3.42Å; L178-F201 VanDerWaalsContact CD1-CE2 3.42Å; L178-F201 HydrophobicContact CD1-CG 4Å; L178-F201 HydrophobicContact CD1-CZ 3.62Å; L178-F201 HydrophobicContact CD2-CD1 4.5Å; L178-F201 HydrophobicContact CD2-CE1 3.75Å; L178-F201 HydrophobicContact CD2-CE2 4.35Å; L178-F201 HydrophobicContact CD2-CZ 3.67Å; L178-F201 HydrophobicContact CG-CD1 3.8Å; L178-F201 HydrophobicContact CG-CD2 4.17Å; L178-F201 HydrophobicContact CG-CE1 3.53Å; L178-F201 HydrophobicContact CG-CE2 3.96Å; L178-F201 HydrophobicContact CG-CG 4.12Å; L178-F201 HydrophobicContact CG-CZ 3.62Å | ||
| 179 | T | 98.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 78.5 Ų | 78.5 | 52% | 0.515 | 36% | 0.361 | S | S | . | . | trans | -74.1 | 167.1 | 163.2 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | R181 R182 R183 | T179-R181 PolarHBondContact O-N 3.28Å; T179-R182 PolarHBondContact OG1-N 3.48Å; T179-R183 WeakPolarHBondContact O-CB 3.16Å; T179-R183 PolarHBondContact O-N 3Å; T179-R183 VanDerWaalsContact O-N 3.16Å | ||
| 180 | R | 98.4 | Very high | 98.4 | Very high | 134 Ų | 134 | 76.5 Ų | 76.5 | 51% | 0.506 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59 | -45.8 | 176.2 | -179.4 | 68.4 | 179.9 | 89 | -11.7 | 112.1 | R183 I184 E194 | R180-R183 WeakPolarHBondContact O-CB 3.22Å; R180-R183 PolarHBondContact O-N 3.46Å; R180-I184 PolarHBondContact O-N 3.49Å; R180-E194 IonicContact CZ-OE1 2.98Å; R180-E194 VanDerWaalsContact CZ-OE1 3.28Å; R180-E194 IonicContact CZ-OE2 3.9Å; R180-E194 IonicContact NE-OE2 3Å; R180-E194 IonicContact NH1-OE1 3.23Å; R180-E194 PolarHBondContact NH1-OE1 2.92Å; R180-E194 IonicContact NH1-OE2 2.77Å; R180-E194 PolarHBondContact NH1-OE2 2.97Å; R180-E194 IonicContact NH2-OE1 3.03Å; R180-E194 PolarHBondContact NH2-OE1 3.46Å; R180-E194 IonicContact NH2-OE2 3.28Å; R180-E194 PolarHBondContact NH2-OE2 3.02Å |
| 181 | R | 98.4 | Very high | 98.4 | Very high | 185 Ų | 185 | 76.6 Ų | 76.6 | 70% | 0.698 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63 | -51.5 | -178.7 | -162.8 | -174.5 | 78.6 | -171.9 | -3.6 | 111.3 | T179 R183 I184 E185 | T179-R181 PolarHBondContact O-N 3.28Å; R181-R183 VanDerWaalsContact C-N 3.25Å; R181-R183 PolarHBondContact O-N 3.21Å; R181-I184 WeakPolarHBondContact O-CB 3.04Å; R181-I184 PolarHBondContact O-N 2.91Å; R181-E185 WeakPolarHBondContact CG-OE1 3.47Å; R181-E185 IonicContact CZ-OE1 2.8Å; R181-E185 IonicContact NE-OE1 3.84Å; R181-E185 PolarHBondContact NE-OE1 3.2Å; R181-E185 IonicContact NH2-OE1 3.72Å; R181-E185 PolarHBondContact O-N 3.17Å |
| 182 | R | 98.6 | Very high | 98.4 | Very high | 88 Ų | 88 | 76.9 Ų | 76.9 | 33% | 0.332 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.5 | -35.8 | -178.8 | -171.7 | 55.5 | 174.7 | 177.9 | -0.8 | 112.6 | E171 L178 T179 I184 E185 I186 | E171-R182 IonicContact OE1-CZ 3.9Å; E171-R182 IonicContact OE1-NE 3.37Å; E171-R182 IonicContact OE1-NH2 3.14Å; E171-R182 PolarHBondContact OE1-NH2 2.99Å; E171-R182 IonicContact OE2-CZ 3.66Å; E171-R182 IonicContact OE2-NE 2.65Å; E171-R182 PolarHBondContact OE2-NE 3.34Å; E171-R182 IonicContact OE2-NH2 3.07Å; E171-R182 PolarHBondContact OE2-NH2 2.77Å; E171-R182 VanDerWaalsContact OE2-NH2 3.07Å; L178-R182 HydrophobicContact CD2-CG 3.91Å; T179-R182 PolarHBondContact OG1-N 3.48Å; R182-I184 VanDerWaalsContact C-N 3.32Å; R182-I184 PolarHBondContact O-N 3.16Å; R182-E185 WeakPolarHBondContact CD-OE2 3.36Å; R182-E185 IonicContact CZ-OE2 3.91Å; R182-E185 IonicContact NE-OE2 3.36Å; R182-E185 IonicContact NH1-OE2 2.77Å; R182-E185 PolarHBondContact NH1-OE2 2.62Å; R182-E185 PolarHBondContact O-N 3.49Å; R182-I186 HydrophobicContact CG-CD1 3.87Å; R182-I186 HydrophobicContact CG-CG1 4.44Å; R182-I186 WeakPolarHBondContact O-CG1 3.37Å; R182-I186 PolarHBondContact O-N 3.49Å; R182-I186 VanDerWaalsContact O-N 3.08Å |
| 183 | R | 98.6 | Very high | 98.4 | Very high | 50 Ų | 50 | 80.5 Ų | 80.5 | 19% | 0.189 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.7 | -40 | 174.9 | -163.7 | -163.2 | -27.5 | -107 | -8.7 | 112.7 | T179 R180 R181 A187 E194 I197 | T179-R183 WeakPolarHBondContact O-CB 3.16Å; T179-R183 PolarHBondContact O-N 3Å; T179-R183 VanDerWaalsContact O-N 3.16Å; R180-R183 WeakPolarHBondContact O-CB 3.22Å; R180-R183 PolarHBondContact O-N 3.46Å; R181-R183 VanDerWaalsContact C-N 3.25Å; R181-R183 PolarHBondContact O-N 3.21Å; R183-A187 WeakPolarHBondContact O-CB 3.3Å; R183-A187 PolarHBondContact O-N 3.32Å; R183-E194 WeakPolarHBondContact CD-OE2 3.35Å; R183-E194 IonicContact NE-OE2 2.62Å; R183-I197 HydrophobicContact CG-CB 4.14Å; R183-I197 HydrophobicContact CG-CG2 3.91Å |
| 184 | I | 98.7 | Very high | 98.4 | Very high | 60 Ų | 60 | 78.2 Ų | 78.2 | 31% | 0.308 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.5 | -48.6 | 177 | -58.7 | 163.1 | 0 | 0 | 0 | 109.7 | R180 R181 R182 I186 A187 N188 | R180-I184 PolarHBondContact O-N 3.49Å; R181-I184 WeakPolarHBondContact O-CB 3.04Å; R181-I184 PolarHBondContact O-N 2.91Å; R182-I184 VanDerWaalsContact C-N 3.32Å; R182-I184 PolarHBondContact O-N 3.16Å; I184-I186 VanDerWaalsContact C-N 3.33Å; I184-I186 PolarHBondContact O-N 2.97Å; I184-A187 WeakPolarHBondContact O-CB 3.43Å; I184-A187 PolarHBondContact O-N 3.45Å; I184-N188 PolarHBondContact O-N 2.88Å |
| 185 | E | 98.6 | Very high | 98.4 | Very high | 65 Ų | 65 | 78.9 Ų | 78.9 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -55.3 | -49 | -178 | -64.9 | 165.5 | -161.2 | 0 | 0 | 111 | R181 R182 A189 | R181-E185 WeakPolarHBondContact CG-OE1 3.47Å; R181-E185 IonicContact CZ-OE1 2.8Å; R181-E185 IonicContact NE-OE1 3.84Å; R181-E185 PolarHBondContact NE-OE1 3.2Å; R181-E185 IonicContact NH2-OE1 3.72Å; R181-E185 PolarHBondContact O-N 3.17Å; R182-E185 WeakPolarHBondContact CD-OE2 3.36Å; R182-E185 IonicContact CZ-OE2 3.91Å; R182-E185 IonicContact NE-OE2 3.36Å; R182-E185 IonicContact NH1-OE2 2.77Å; R182-E185 PolarHBondContact NH1-OE2 2.62Å; R182-E185 PolarHBondContact O-N 3.49Å; E185-A189 WeakPolarHBondContact O-CB 3.42Å; E185-A189 PolarHBondContact O-N 3.02Å; E185-A189 VanDerWaalsContact O-N 3.09Å |
| 186 | I | 98.6 | Very high | 98.5 | Very high | 9 Ų | 9 | 78.3 Ų | 78.3 | 5% | 0.046 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.2 | -42 | 179.1 | -60.9 | 164.4 | 0 | 0 | 0 | 111.6 | L168 E171 L178 R182 I184 N188 A189 L190 I197 | L168-I186 HydrophobicContact CD2-CG2 4.22Å; E171-I186 HydrophobicContact CB-CD1 4.03Å; E171-I186 HydrophobicContact CG-CD1 3.64Å; E171-I186 HydrophobicContact CG-CG1 4.09Å; L178-I186 HydrophobicContact CD1-CD1 3.94Å; L178-I186 HydrophobicContact CD2-CD1 3.87Å; R182-I186 HydrophobicContact CG-CD1 3.87Å; R182-I186 HydrophobicContact CG-CG1 4.44Å; R182-I186 WeakPolarHBondContact O-CG1 3.37Å; R182-I186 PolarHBondContact O-N 3.49Å; R182-I186 VanDerWaalsContact O-N 3.08Å; I184-I186 VanDerWaalsContact C-N 3.33Å; I184-I186 PolarHBondContact O-N 2.97Å; I186-N188 VanDerWaalsContact C-N 3.3Å; I186-N188 PolarHBondContact O-N 2.71Å; I186-A189 PolarHBondContact O-N 3.39Å; I186-L190 HydrophobicContact CG2-CD1 3.68Å; I186-L190 HydrophobicContact CG2-CG 4.17Å; I186-L190 WeakPolarHBondContact O-CB 3.45Å; I186-L190 WeakPolarHBondContact O-CG 3.27Å; I186-L190 PolarHBondContact O-N 3.29Å; I186-I197 HydrophobicContact CG2-CD1 3.92Å |
| 187 | A | 98.7 | Very high | 98.5 | Very high | 3 Ų | 3 | 74.6 Ų | 74.6 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.7 | -47.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R183 I184 C191 L192 E194 I197 | R183-A187 WeakPolarHBondContact O-CB 3.3Å; R183-A187 PolarHBondContact O-N 3.32Å; I184-A187 WeakPolarHBondContact O-CB 3.43Å; I184-A187 PolarHBondContact O-N 3.45Å; A187-C191 PolarHBondContact O-N 3.49Å; A187-C191 VanDerWaalsContact O-N 3.1Å; A187-L192 CarbonylContact C-O 3.21Å; A187-L192 WeakPolarHBondContact CA-O 3.29Å; A187-L192 WeakPolarHBondContact CB-O 3.47Å; A187-L192 PolarHBondContact O-N 3.1Å; A187-L192 VanDerWaalsContact O-O 3.08Å; A187-E194 HydrophobicContact CB-CG 4.2Å; A187-I197 HydrophobicContact CB-CG1 4.01Å |
| 188 | N | 98.6 | Very high | 98.5 | Very high | 118 Ų | 118 | 73.7 Ų | 73.7 | 63% | 0.631 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -66.4 | -44.7 | 178.7 | -66.9 | -14.9 | 0 | 0 | 0 | 111.7 | I184 I186 L190 C191 | I184-N188 PolarHBondContact O-N 2.88Å; I186-N188 VanDerWaalsContact C-N 3.3Å; I186-N188 PolarHBondContact O-N 2.71Å; N188-L190 VanDerWaalsContact C-N 3.29Å; N188-L190 PolarHBondContact O-N 2.94Å; N188-C191 PolarHBondContact O-N 3.39Å |
| 189 | A | 98.4 | Very high | 98.5 | Very high | 68 Ų | 68 | 74.7 Ų | 74.7 | 56% | 0.562 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.7 | -30.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.7 | E185 I186 | E185-A189 WeakPolarHBondContact O-CB 3.42Å; E185-A189 PolarHBondContact O-N 3.02Å; E185-A189 VanDerWaalsContact O-N 3.09Å; I186-A189 PolarHBondContact O-N 3.39Å |
| 190 | L | 98.4 | Very high | 98.5 | Very high | 7 Ų | 7 | 72.1 Ų | 72.1 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -102.2 | 0.8 | -176.8 | -61.8 | -173.3 | 0 | 0 | 0 | 114 | Y163 Q164 E167 L168 I186 N188 L192 | Y163-L190 HydrophobicContact CD1-CD2 4.11Å; Y163-L190 HydrophobicContact CE1-CD2 3.56Å; Q164-L190 HydrophobicContact CG-CB 4.27Å; Q164-L190 PolarHBondContact NE2-O 2.91Å; E167-L190 HydrophobicContact CB-CD1 4.08Å; E167-L190 HydrophobicContact CB-CD2 3.8Å; E167-L190 HydrophobicContact CB-CG 4.5Å; E167-L190 HydrophobicContact CG-CD2 4.04Å; L168-L190 HydrophobicContact CD1-CD1 4.47Å; L168-L190 HydrophobicContact CD2-CD1 4.01Å; L168-L190 HydrophobicContact CG-CD1 3.8Å; I186-L190 HydrophobicContact CG2-CD1 3.68Å; I186-L190 HydrophobicContact CG2-CG 4.17Å; I186-L190 WeakPolarHBondContact O-CB 3.45Å; I186-L190 WeakPolarHBondContact O-CG 3.27Å; I186-L190 PolarHBondContact O-N 3.29Å; N188-L190 VanDerWaalsContact C-N 3.29Å; N188-L190 PolarHBondContact O-N 2.94Å; L190-L192 VanDerWaalsContact C-N 3.25Å; L190-L192 HydrophobicContact CB-CD1 4.23Å; L190-L192 HydrophobicContact CB-CG 4.19Å; L190-L192 PolarHBondContact O-N 3.45Å |
| 191 | C | 98.4 | Very high | 98.5 | Very high | 116 Ų | 116 | 66.1 Ų | 66.1 | 78% | 0.784 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 43.5 | -172.4 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | A187 N188 | A187-C191 PolarHBondContact O-N 3.49Å; A187-C191 VanDerWaalsContact O-N 3.1Å; N188-C191 PolarHBondContact O-N 3.39Å |
| 192 | L | 98.1 | Very high | 98.5 | Very high | 19 Ų | 19 | 62.2 Ų | 62.2 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | trans | -118.3 | 151.3 | 176.6 | -66.7 | 179.5 | 0 | 0 | 0 | 109.8 | Y160 L168 A187 L190 Q196 I197 | Y160-L192 HydrophobicContact CD1-CD1 4.03Å; Y160-L192 HydrophobicContact CD1-CD2 3.85Å; Y160-L192 HydrophobicContact CE1-CD1 3.91Å; Y160-L192 HydrophobicContact CE1-CD2 3.62Å; Y160-L192 HydrophobicContact CE1-CG 4.44Å; L168-L192 HydrophobicContact CD1-CD1 4.31Å; A187-L192 CarbonylContact C-O 3.21Å; A187-L192 WeakPolarHBondContact CA-O 3.29Å; A187-L192 WeakPolarHBondContact CB-O 3.47Å; A187-L192 PolarHBondContact O-N 3.1Å; A187-L192 VanDerWaalsContact O-O 3.08Å; L190-L192 VanDerWaalsContact C-N 3.25Å; L190-L192 HydrophobicContact CB-CD1 4.23Å; L190-L192 HydrophobicContact CB-CG 4.19Å; L190-L192 PolarHBondContact O-N 3.45Å; L192-Q196 HydrophobicContact CB-CB 4.41Å; L192-I197 HydrophobicContact CB-CD1 3.9Å; L192-I197 HydrophobicContact CB-CG1 4.41Å; L192-I197 HydrophobicContact CD1-CD1 3.9Å | ||
| 193 | T | 98.6 | Very high | 98.5 | Very high | 77 Ų | 77 | 62.9 Ų | 62.9 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | trans | -70.7 | 149.2 | 173.4 | 63.1 | 0 | 0 | 0 | 0 | 111 | R195 Q196 I197 | T193-R195 PolarHBondContact O-N 2.79Å; T193-R195 VanDerWaalsContact O-N 3.07Å; T193-Q196 WeakPolarHBondContact O-CA 3.45Å; T193-Q196 WeakPolarHBondContact O-CB 3.47Å; T193-Q196 PolarHBondContact O-N 3.19Å; T193-Q196 VanDerWaalsContact OG1-CG 3.27Å; T193-Q196 WeakPolarHBondContact OG1-CG 2.93Å; T193-Q196 PolarHBondContact OG1-N 3.03Å; T193-Q196 PolarHBondContact OG1-OE1 3.45Å; T193-I197 PolarHBondContact O-N 3.16Å; T193-I197 VanDerWaalsContact O-N 3.08Å | ||
| 194 | E | 98.6 | Very high | 98.5 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -50.9 | -35.4 | 172.4 | -69.4 | -157.7 | -127.4 | 0 | 0 | 113.6 | R180 R183 A187 I197 K198 | R180-E194 IonicContact CZ-OE1 2.98Å; R180-E194 VanDerWaalsContact CZ-OE1 3.28Å; R180-E194 IonicContact CZ-OE2 3.9Å; R180-E194 IonicContact NE-OE2 3Å; R180-E194 IonicContact NH1-OE1 3.23Å; R180-E194 PolarHBondContact NH1-OE1 2.92Å; R180-E194 IonicContact NH1-OE2 2.77Å; R180-E194 PolarHBondContact NH1-OE2 2.97Å; R180-E194 IonicContact NH2-OE1 3.03Å; R180-E194 PolarHBondContact NH2-OE1 3.46Å; R180-E194 IonicContact NH2-OE2 3.28Å; R180-E194 PolarHBondContact NH2-OE2 3.02Å; R183-E194 WeakPolarHBondContact CD-OE2 3.35Å; R183-E194 IonicContact NE-OE2 2.62Å; A187-E194 HydrophobicContact CB-CG 4.2Å; E194-I197 PolarHBondContact O-N 2.89Å; E194-K198 WeakPolarHBondContact O-CB 3.47Å; E194-K198 PolarHBondContact O-N 3.31Å |
| 195 | R | 98.3 | Very high | 98.5 | Very high | 184 Ų | 184 | 62.8 Ų | 62.8 | 69% | 0.694 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65 | -43.6 | 176 | -175.2 | 178.7 | -175.1 | -87.1 | -0.7 | 111.5 | T193 K198 I199 | T193-R195 PolarHBondContact O-N 2.79Å; T193-R195 VanDerWaalsContact O-N 3.07Å; R195-K198 PolarHBondContact O-N 3.38Å; R195-I199 HydrophobicContact CG-CD1 3.9Å; R195-I199 WeakPolarHBondContact O-CB 3.29Å; R195-I199 VanDerWaalsContact O-CG1 3.29Å; R195-I199 WeakPolarHBondContact O-CG1 3.45Å; R195-I199 PolarHBondContact O-N 3.24Å |
| 196 | Q | 98.4 | Very high | 98.5 | Very high | 60 Ų | 60 | 64.9 Ų | 64.9 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 175.7 | -76.9 | 163.9 | -52.4 | 0 | 0 | 111 | L192 T193 K198 I199 W200 | L192-Q196 HydrophobicContact CB-CB 4.41Å; T193-Q196 WeakPolarHBondContact O-CA 3.45Å; T193-Q196 WeakPolarHBondContact O-CB 3.47Å; T193-Q196 PolarHBondContact O-N 3.19Å; T193-Q196 VanDerWaalsContact OG1-CG 3.27Å; T193-Q196 WeakPolarHBondContact OG1-CG 2.93Å; T193-Q196 PolarHBondContact OG1-N 3.03Å; T193-Q196 PolarHBondContact OG1-OE1 3.45Å; Q196-K198 VanDerWaalsContact C-N 3.34Å; Q196-K198 PolarHBondContact O-N 3.32Å; Q196-I199 PolarHBondContact O-N 3.21Å; Q196-W200 WeakPolarHBondContact O-CB 3.32Å; Q196-W200 PolarHBondContact O-N 3.32Å |
| 197 | I | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.2 | -46.9 | 174.6 | -56 | -58.8 | 0 | 0 | 0 | 110.7 | L168 L178 R183 I186 A187 L192 T193 E194 I199 W200 F201 | L168-I197 HydrophobicContact CD2-CD1 3.78Å; L178-I197 HydrophobicContact CD1-CG2 3.51Å; R183-I197 HydrophobicContact CG-CB 4.14Å; R183-I197 HydrophobicContact CG-CG2 3.91Å; I186-I197 HydrophobicContact CG2-CD1 3.92Å; A187-I197 HydrophobicContact CB-CG1 4.01Å; L192-I197 HydrophobicContact CB-CD1 3.9Å; L192-I197 HydrophobicContact CB-CG1 4.41Å; L192-I197 HydrophobicContact CD1-CD1 3.9Å; T193-I197 PolarHBondContact O-N 3.16Å; T193-I197 VanDerWaalsContact O-N 3.08Å; E194-I197 PolarHBondContact O-N 2.89Å; I197-I199 PolarHBondContact O-N 3.42Å; I197-W200 PolarHBondContact O-N 3.04Å; I197-F201 HydrophobicContact CG2-CD2 4.09Å; I197-F201 HydrophobicContact CG2-CE2 4.28Å; I197-F201 WeakPolarHBondContact O-CD2 3.48Å; I197-F201 PolarHBondContact O-N 3.26Å |
| 198 | K | 98.4 | Very high | 98.3 | Very high | 126 Ų | 126 | 74.9 Ų | 74.9 | 55% | 0.548 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 177.3 | -178.1 | -178.5 | 176.3 | -179.2 | 0 | 112.1 | E194 R195 Q196 F201 Q202 | E194-K198 WeakPolarHBondContact O-CB 3.47Å; E194-K198 PolarHBondContact O-N 3.31Å; R195-K198 PolarHBondContact O-N 3.38Å; Q196-K198 VanDerWaalsContact C-N 3.34Å; Q196-K198 PolarHBondContact O-N 3.32Å; K198-F201 PolarHBondContact O-N 3.15Å; K198-Q202 WeakPolarHBondContact O-CB 3.5Å; K198-Q202 PolarHBondContact O-N 3.22Å |
| 199 | I | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 74 Ų | 74 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 179.8 | -71 | 169 | 0 | 0 | 0 | 110.4 | R195 Q196 I197 F201 Q202 N203 | R195-I199 HydrophobicContact CG-CD1 3.9Å; R195-I199 WeakPolarHBondContact O-CB 3.29Å; R195-I199 VanDerWaalsContact O-CG1 3.29Å; R195-I199 WeakPolarHBondContact O-CG1 3.45Å; R195-I199 PolarHBondContact O-N 3.24Å; Q196-I199 PolarHBondContact O-N 3.21Å; I197-I199 PolarHBondContact O-N 3.42Å; I199-F201 PolarHBondContact O-N 3.38Å; I199-Q202 WeakPolarHBondContact O-CB 3.45Å; I199-Q202 PolarHBondContact O-N 3.42Å; I199-N203 VanDerWaalsContact O-CG 3.27Å; I199-N203 PolarHBondContact O-N 3.41Å; I199-N203 PolarHBondContact O-ND2 3.33Å |
| 200 | W | 98.6 | Very high | 98 | Very high | 29 Ų | 29 | 77.3 Ų | 77.3 | 11% | 0.11 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 178.4 | -169.3 | 99 | 0 | 0 | 0 | 111.2 | Y160 L168 E169 F172 Q196 I197 Q202 N203 R204 | Y160-W200 AromaticContact CD2-CD1 3.88Å; Y160-W200 AromaticContact CE2-CD1 3.61Å; L168-W200 VanDerWaalsContact C-CH2 3.47Å; L168-W200 HydrophobicContact CB-CD2 3.89Å; L168-W200 HydrophobicContact CB-CE3 3.9Å; L168-W200 HydrophobicContact CB-CH2 3.63Å; L168-W200 HydrophobicContact CB-CZ2 3.59Å; L168-W200 HydrophobicContact CB-CZ3 3.78Å; L168-W200 HydrophobicContact CD1-CD2 3.87Å; L168-W200 HydrophobicContact CD1-CG 3.83Å; L168-W200 HydrophobicContact CD2-CD2 4.29Å; L168-W200 HydrophobicContact CD2-CE3 4.21Å; L168-W200 HydrophobicContact CG-CD2 4.24Å; L168-W200 HydrophobicContact CG-CE3 4.45Å; L168-W200 WeakPolarHBondContact O-CH2 3.41Å; L168-W200 WeakPolarHBondContact O-CZ3 3.48Å; E169-W200 HydrophobicContact CG-CH2 4.1Å; E169-W200 HydrophobicContact CG-CZ2 4.12Å; F172-W200 HydrophobicContact CB-CH2 4.34Å; F172-W200 HydrophobicContact CB-CZ3 4.06Å; Q196-W200 WeakPolarHBondContact O-CB 3.32Å; Q196-W200 PolarHBondContact O-N 3.32Å; I197-W200 PolarHBondContact O-N 3.04Å; W200-Q202 VanDerWaalsContact C-N 3.29Å; W200-Q202 PolarHBondContact O-N 3.44Å; W200-N203 PolarHBondContact O-N 3.15Å; W200-R204 HydrophobicContact CD2-CB 4.48Å; W200-R204 HydrophobicContact CE3-CB 3.93Å; W200-R204 HydrophobicContact CE3-CG 4.45Å; W200-R204 HydrophobicContact CH2-CB 4Å; W200-R204 HydrophobicContact CH2-CG 3.69Å; W200-R204 HydrophobicContact CZ2-CG 4.47Å; W200-R204 HydrophobicContact CZ3-CB 3.67Å; W200-R204 HydrophobicContact CZ3-CG 3.68Å; W200-R204 VanDerWaalsContact O-CB 3.3Å; W200-R204 WeakPolarHBondContact O-CB 3.5Å; W200-R204 PolarHBondContact O-N 3.37Å |
| 201 | F | 98.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 80.2 Ų | 80.2 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.2 | -32 | 176.8 | -91.1 | -102.8 | 0 | 0 | 0 | 113.1 | L168 E171 F172 L178 I197 K198 I199 R205 | L168-F201 HydrophobicContact CD2-CE2 4.09Å; E171-F201 HydrophobicContact CB-CZ 4.05Å; F172-F201 HydrophobicContact CB-CE1 4.23Å; F172-F201 HydrophobicContact CB-CZ 4.35Å; F172-F201 AromaticContact CD2-CD1 3.97Å; F172-F201 HydrophobicContact CD2-CD1 3.97Å; F172-F201 AromaticContact CD2-CE1 3.91Å; F172-F201 HydrophobicContact CD2-CE1 3.91Å; L178-F201 HydrophobicContact CD1-CD1 4.17Å; L178-F201 HydrophobicContact CD1-CD2 3.61Å; L178-F201 HydrophobicContact CD1-CE1 3.99Å; L178-F201 HydrophobicContact CD1-CE2 3.42Å; L178-F201 VanDerWaalsContact CD1-CE2 3.42Å; L178-F201 HydrophobicContact CD1-CG 4Å; L178-F201 HydrophobicContact CD1-CZ 3.62Å; L178-F201 HydrophobicContact CD2-CD1 4.5Å; L178-F201 HydrophobicContact CD2-CE1 3.75Å; L178-F201 HydrophobicContact CD2-CE2 4.35Å; L178-F201 HydrophobicContact CD2-CZ 3.67Å; L178-F201 HydrophobicContact CG-CD1 3.8Å; L178-F201 HydrophobicContact CG-CD2 4.17Å; L178-F201 HydrophobicContact CG-CE1 3.53Å; L178-F201 HydrophobicContact CG-CE2 3.96Å; L178-F201 HydrophobicContact CG-CG 4.12Å; L178-F201 HydrophobicContact CG-CZ 3.62Å; I197-F201 HydrophobicContact CG2-CD2 4.09Å; I197-F201 HydrophobicContact CG2-CE2 4.28Å; I197-F201 WeakPolarHBondContact O-CD2 3.48Å; I197-F201 PolarHBondContact O-N 3.26Å; K198-F201 PolarHBondContact O-N 3.15Å; I199-F201 PolarHBondContact O-N 3.38Å; F201-R205 WeakPolarHBondContact O-CB 3.49Å; F201-R205 VanDerWaalsContact O-CG 3.31Å; F201-R205 WeakPolarHBondContact O-CG 3.49Å; F201-R205 PolarHBondContact O-N 2.89Å; F201-R205 VanDerWaalsContact O-N 3.1Å; F201-R205 PolarHBondContact O-NE 2.9Å |
| 202 | Q | 98.7 | Very high | 97.1 | Very high | 104 Ų | 104 | 77.1 Ų | 77.1 | 49% | 0.486 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.9 | -49.3 | 173.1 | -172.3 | 173.3 | 13.9 | 0 | 0 | 111.2 | K198 I199 W200 R204 R205 M206 | K198-Q202 WeakPolarHBondContact O-CB 3.5Å; K198-Q202 PolarHBondContact O-N 3.22Å; I199-Q202 WeakPolarHBondContact O-CB 3.45Å; I199-Q202 PolarHBondContact O-N 3.42Å; W200-Q202 VanDerWaalsContact C-N 3.29Å; W200-Q202 PolarHBondContact O-N 3.44Å; Q202-R204 VanDerWaalsContact C-N 3.32Å; Q202-R204 PolarHBondContact O-N 3.44Å; Q202-R205 PolarHBondContact O-N 3.16Å; Q202-M206 WeakPolarHBondContact O-CG 3.37Å; Q202-M206 PolarHBondContact O-N 3.49Å; Q202-M206 VanDerWaalsContact O-N 3.1Å |
| 203 | N | 98.4 | Very high | 95.9 | Very high | 101 Ų | 101 | 83 Ų | 83 | 54% | 0.54 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 177.3 | -68.1 | -17.9 | 0 | 0 | 0 | 111.4 | I199 W200 R205 M206 K207 | I199-N203 VanDerWaalsContact O-CG 3.27Å; I199-N203 PolarHBondContact O-N 3.41Å; I199-N203 PolarHBondContact O-ND2 3.33Å; W200-N203 PolarHBondContact O-N 3.15Å; N203-R205 PolarHBondContact O-N 3.2Å; N203-M206 WeakPolarHBondContact O-CB 3.31Å; N203-M206 PolarHBondContact O-N 3.46Å; N203-K207 PolarHBondContact O-N 3.23Å |
| 204 | R | 98.5 | Very high | 94.2 | Very high | 28 Ų | 28 | 85.4 Ų | 85.4 | 11% | 0.106 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | -179.9 | -175.3 | 62.1 | -176 | 106.2 | -8.4 | 112.2 | E169 F172 W200 Q202 K207 W208 E211 | E169-R204 IonicContact OE1-CZ 4Å; E169-R204 IonicContact OE1-NE 3.09Å; E169-R204 PolarHBondContact OE1-NE 3.45Å; E169-R204 VanDerWaalsContact OE1-NE 3.14Å; E169-R204 IonicContact OE2-CZ 3.85Å; E169-R204 IonicContact OE2-NE 3.34Å; E169-R204 PolarHBondContact OE2-NE 2.84Å; E169-R204 IonicContact OE2-NH2 2.82Å; E169-R204 PolarHBondContact OE2-NH2 2.98Å; F172-R204 HydrophobicContact CB-CG 4.39Å; F172-R204 HydrophobicContact CD1-CG 3.65Å; F172-R204 HydrophobicContact CD2-CB 4.29Å; F172-R204 HydrophobicContact CD2-CG 3.65Å; F172-R204 HydrophobicContact CE1-CG 3.71Å; F172-R204 HydrophobicContact CE2-CB 4.26Å; F172-R204 HydrophobicContact CE2-CG 3.72Å; F172-R204 HydrophobicContact CG-CG 3.61Å; F172-R204 HydrophobicContact CZ-CG 3.75Å; W200-R204 HydrophobicContact CD2-CB 4.48Å; W200-R204 HydrophobicContact CE3-CB 3.93Å; W200-R204 HydrophobicContact CE3-CG 4.45Å; W200-R204 HydrophobicContact CH2-CB 4Å; W200-R204 HydrophobicContact CH2-CG 3.69Å; W200-R204 HydrophobicContact CZ2-CG 4.47Å; W200-R204 HydrophobicContact CZ3-CB 3.67Å; W200-R204 HydrophobicContact CZ3-CG 3.68Å; W200-R204 VanDerWaalsContact O-CB 3.3Å; W200-R204 WeakPolarHBondContact O-CB 3.5Å; W200-R204 PolarHBondContact O-N 3.37Å; Q202-R204 VanDerWaalsContact C-N 3.32Å; Q202-R204 PolarHBondContact O-N 3.44Å; R204-K207 PolarHBondContact O-N 3.1Å; R204-W208 WeakPolarHBondContact O-CB 3.31Å; R204-W208 PolarHBondContact O-N 2.95Å; R204-E211 IonicContact NH1-OE2 3.32Å; R204-E211 PolarHBondContact NH1-OE2 3.37Å |
| 205 | R | 98.2 | Very high | 92.4 | Very high | 81 Ų | 81 | 87.1 Ų | 87.1 | 31% | 0.306 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 173.3 | -75.2 | -177.7 | -67 | 159.6 | 1.7 | 112.4 | F172 R176 Y177 F201 Q202 N203 K207 W208 K209 | F172-R205 HydrophobicContact CE2-CG 3.72Å; F172-R205 HydrophobicContact CZ-CG 4.22Å; R176-R205 WeakPolarHBondContact O-CD 3.41Å; Y177-R205 VanDerWaalsContact CD1-NH1 3.26Å; F201-R205 WeakPolarHBondContact O-CB 3.49Å; F201-R205 VanDerWaalsContact O-CG 3.31Å; F201-R205 WeakPolarHBondContact O-CG 3.49Å; F201-R205 PolarHBondContact O-N 2.89Å; F201-R205 VanDerWaalsContact O-N 3.1Å; F201-R205 PolarHBondContact O-NE 2.9Å; Q202-R205 PolarHBondContact O-N 3.16Å; N203-R205 PolarHBondContact O-N 3.2Å; R205-K207 VanDerWaalsContact C-N 3.34Å; R205-W208 PolarHBondContact O-N 2.86Å; R205-K209 WeakPolarHBondContact O-CB 3.39Å; R205-K209 PolarHBondContact O-N 3.41Å |
| 206 | M | 98.1 | Very high | 90.5 | Very high | 108 Ų | 108 | 84.9 Ų | 84.9 | 53% | 0.532 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 175.7 | -67.5 | -62.2 | -82.1 | 0 | 0 | 111.6 | Q202 N203 K209 K210 | Q202-M206 WeakPolarHBondContact O-CG 3.37Å; Q202-M206 PolarHBondContact O-N 3.49Å; Q202-M206 VanDerWaalsContact O-N 3.1Å; N203-M206 WeakPolarHBondContact O-CB 3.31Å; N203-M206 PolarHBondContact O-N 3.46Å; M206-K209 PolarHBondContact O-N 3.44Å; M206-K210 PolarHBondContact O-N 3.28Å; M206-K210 VanDerWaalsContact O-N 3.1Å |
| 207 | K | 96.8 | Very high | 88.6 | Confident | 116 Ų | 116 | 86.4 Ų | 86.4 | 50% | 0.504 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -49.3 | 175.1 | -162.6 | -167.3 | -174.5 | -151.4 | 0 | 111.6 | N203 R204 R205 K209 K210 E211 | N203-K207 PolarHBondContact O-N 3.23Å; R204-K207 PolarHBondContact O-N 3.1Å; R205-K207 VanDerWaalsContact C-N 3.34Å; K207-K209 VanDerWaalsContact C-N 3.35Å; K207-K209 PolarHBondContact O-N 3.1Å; K207-K210 WeakPolarHBondContact O-CA 3.46Å; K207-K210 WeakPolarHBondContact O-CB 3.01Å; K207-K210 PolarHBondContact O-N 3.25Å; K207-E211 VanDerWaalsContact CD-OE1 3.29Å; K207-E211 WeakPolarHBondContact CD-OE1 3.48Å; K207-E211 WeakPolarHBondContact CE-OE1 3.5Å; K207-E211 HydrophobicContact CG-CG 4.44Å; K207-E211 WeakPolarHBondContact CG-OE1 3.34Å; K207-E211 IonicContact NZ-OE1 3.9Å; K207-E211 PolarHBondContact NZ-OE1 2.88Å; K207-E211 WeakPolarHBondContact O-CG 3.34Å; K207-E211 PolarHBondContact O-N 3.45Å |
| 208 | W | 96.3 | Very high | 86.7 | Confident | 106 Ų | 106 | 89.5 Ų | 89.5 | 40% | 0.402 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56.1 | -48.3 | 176.3 | 179.1 | 80.2 | 0 | 0 | 0 | 111.1 | F172 R204 R205 K210 E211 N212 | F172-W208 HydrophobicContact CE1-CB 4.25Å; F172-W208 HydrophobicContact CE1-CG 4.32Å; F172-W208 HydrophobicContact CZ-CB 4.06Å; F172-W208 HydrophobicContact CZ-CG 4.26Å; R204-W208 WeakPolarHBondContact O-CB 3.31Å; R204-W208 PolarHBondContact O-N 2.95Å; R205-W208 PolarHBondContact O-N 2.86Å; W208-K210 PolarHBondContact O-N 2.98Å; W208-E211 PolarHBondContact O-N 3.47Å; W208-E211 VanDerWaalsContact O-N 3.16Å; W208-N212 VanDerWaalsContact CD2-ND2 3.32Å; W208-N212 VanDerWaalsContact CG-ND2 3.35Å; W208-N212 PolarHBondContact NE1-ND2 3.03Å; W208-N212 PolarHBondContact O-N 2.83Å; W208-N212 PolarHBondContact O-ND2 3.32Å |
| 209 | K | 95.5 | Very high | 84.1 | Confident | 99 Ų | 99 | 90.8 Ų | 90.8 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.7 | -38.1 | 175.9 | -177.3 | -179 | 68.2 | 177.8 | 0 | 112.5 | R205 M206 K207 K213 | R205-K209 WeakPolarHBondContact O-CB 3.39Å; R205-K209 PolarHBondContact O-N 3.41Å; M206-K209 PolarHBondContact O-N 3.44Å; K207-K209 VanDerWaalsContact C-N 3.35Å; K207-K209 PolarHBondContact O-N 3.1Å; K209-K213 VanDerWaalsContact O-CG 3.31Å; K209-K213 WeakPolarHBondContact O-CG 3.37Å |
| 210 | K | 94.8 | Very high | 81.6 | Confident | 139 Ų | 139 | 93.5 Ų | 93.5 | 60% | 0.604 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.1 | -47.6 | 177.4 | -174.3 | 174.5 | 179.7 | -176.7 | 0 | 110.7 | M206 K207 W208 K213 F214 | M206-K210 PolarHBondContact O-N 3.28Å; M206-K210 VanDerWaalsContact O-N 3.1Å; K207-K210 WeakPolarHBondContact O-CA 3.46Å; K207-K210 WeakPolarHBondContact O-CB 3.01Å; K207-K210 PolarHBondContact O-N 3.25Å; W208-K210 PolarHBondContact O-N 2.98Å; K210-K213 PolarHBondContact O-N 3.06Å; K210-F214 HydrophobicContact CD-CE2 4.45Å; K210-F214 HydrophobicContact CG-CD2 4.32Å; K210-F214 HydrophobicContact CG-CE2 3.65Å; K210-F214 WeakPolarHBondContact O-CD2 3.49Å; K210-F214 WeakPolarHBondContact O-CE2 3.47Å |
| 211 | E | 91.8 | Very high | 78.9 | Confident | 68 Ų | 68 | 97.4 Ų | 97.4 | 32% | 0.318 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | -178.6 | -68.7 | 163.9 | 168.3 | 0 | 0 | 112.5 | R204 K207 W208 K213 F214 I215 | R204-E211 IonicContact NH1-OE2 3.32Å; R204-E211 PolarHBondContact NH1-OE2 3.37Å; K207-E211 VanDerWaalsContact CD-OE1 3.29Å; K207-E211 WeakPolarHBondContact CD-OE1 3.48Å; K207-E211 WeakPolarHBondContact CE-OE1 3.5Å; K207-E211 HydrophobicContact CG-CG 4.44Å; K207-E211 WeakPolarHBondContact CG-OE1 3.34Å; K207-E211 IonicContact NZ-OE1 3.9Å; K207-E211 PolarHBondContact NZ-OE1 2.88Å; K207-E211 WeakPolarHBondContact O-CG 3.34Å; K207-E211 PolarHBondContact O-N 3.45Å; W208-E211 PolarHBondContact O-N 3.47Å; W208-E211 VanDerWaalsContact O-N 3.16Å; E211-K213 VanDerWaalsContact C-N 3.33Å; E211-K213 PolarHBondContact O-N 3.17Å; E211-F214 PolarHBondContact O-N 2.98Å; E211-I215 WeakPolarHBondContact O-CG1 3.49Å; E211-I215 PolarHBondContact O-N 3.05Å |
| 212 | N | 86 | Confident | 76.2 | Confident | 51 Ų | 51 | 102.1 Ų | 102.1 | 27% | 0.273 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.1 | -26.9 | -177.5 | -69.5 | -92.3 | 0 | 0 | 0 | 113.7 | W208 F214 I215 N216 | W208-N212 VanDerWaalsContact CD2-ND2 3.32Å; W208-N212 VanDerWaalsContact CG-ND2 3.35Å; W208-N212 PolarHBondContact NE1-ND2 3.03Å; W208-N212 PolarHBondContact O-N 2.83Å; W208-N212 PolarHBondContact O-ND2 3.32Å; N212-F214 VanDerWaalsContact C-N 3.3Å; N212-F214 PolarHBondContact O-N 3.43Å; N212-I215 PolarHBondContact O-N 3.3Å; N212-N216 PolarHBondContact O-N 3.45Å |
| 213 | K | 74.4 | Confident | 73.8 | Confident | 142 Ų | 142 | 105.4 Ų | 105.4 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.7 | -31.1 | 177.5 | -75.6 | 179.3 | 177.1 | -148.2 | 0 | 112.7 | K209 K210 E211 S217 | K209-K213 VanDerWaalsContact O-CG 3.31Å; K209-K213 WeakPolarHBondContact O-CG 3.37Å; K210-K213 PolarHBondContact O-N 3.06Å; E211-K213 VanDerWaalsContact C-N 3.33Å; E211-K213 PolarHBondContact O-N 3.17Å; K213-S217 PolarHBondContact O-OG 2.94Å |
| 214 | F | 61.8 | Low | 71.4 | Confident | 128 Ų | 128 | 109.1 Ų | 109.1 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -82.5 | -25.6 | 178 | -65.7 | -68.8 | 0 | 0 | 0 | 112.8 | K210 E211 N212 S217 A218 | K210-F214 HydrophobicContact CD-CE2 4.45Å; K210-F214 HydrophobicContact CG-CD2 4.32Å; K210-F214 HydrophobicContact CG-CE2 3.65Å; K210-F214 WeakPolarHBondContact O-CD2 3.49Å; K210-F214 WeakPolarHBondContact O-CE2 3.47Å; E211-F214 PolarHBondContact O-N 2.98Å; N212-F214 VanDerWaalsContact C-N 3.3Å; N212-F214 PolarHBondContact O-N 3.43Å; F214-S217 PolarHBondContact O-OG 3.35Å; F214-A218 WeakPolarHBondContact O-CB 3.44Å |
| 215 | I | 61.8 | Low | 69 | Low | 98 Ų | 98 | 114 Ų | 114 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -74.1 | -42.9 | 177.3 | -63.7 | 168.9 | 0 | 0 | 0 | 110.5 | E211 N212 S217 A218 | E211-I215 WeakPolarHBondContact O-CG1 3.49Å; E211-I215 PolarHBondContact O-N 3.05Å; N212-I215 PolarHBondContact O-N 3.3Å; I215-S217 PolarHBondContact O-N 2.99Å; I215-A218 PolarHBondContact O-N 3.31Å; I215-A218 VanDerWaalsContact O-N 3.15Å |
| 216 | N | 58.7 | Low | 66.8 | Low | 137 Ų | 137 | 119.1 Ų | 119.1 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -18.6 | 180 | -67.9 | -17.6 | 0 | 0 | 0 | 113.8 | N212 | N212-N216 PolarHBondContact O-N 3.45Š|
| 217 | S | 57.9 | Low | 64.5 | Low | 93 Ų | 93 | 122.7 Ų | 122.7 | 65% | 0.65 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -3.5 | 174.8 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | K213 F214 I215 | K213-S217 PolarHBondContact O-OG 2.94Å; F214-S217 PolarHBondContact O-OG 3.35Å; I215-S217 PolarHBondContact O-N 2.99Å |
| 218 | A | 57.7 | Low | 62.5 | Low | 64 Ų | 64 | 127.2 Ų | 127.2 | 53% | 0.529 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -118.8 | 17.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F214 I215 P220 | F214-A218 WeakPolarHBondContact O-CB 3.44Å; I215-A218 PolarHBondContact O-N 3.31Å; I215-A218 VanDerWaalsContact O-N 3.15Å; A218-P220 WeakPolarHBondContact O-CD 3.39Å |
| 219 | Q | 43.9 | Very low | 60.4 | Low | 153 Ų | 153 | 127.1 Ų | 127.1 | 72% | 0.715 | 67% | 0.667 | S | S | * | * | trans | -101 | 108.2 | 168.7 | -70.5 | -66.2 | -73.9 | 0 | 0 | 109.6 | ||||
| 220 | P | 46.5 | Very low | 58.8 | Low | 110 Ų | 110 | 125.9 Ų | 125.9 | 71% | 0.714 | 68% | 0.682 | S | S | * | * | trans | -68 | 133.1 | 153.1 | 29.8 | -29 | 0 | 0 | 0 | 108 | A218 S222 | A218-P220 WeakPolarHBondContact O-CD 3.39Å; P220-S222 PolarHBondContact O-N 3.12Å | ||
| 221 | S | 41.3 | Very low | 56.7 | Low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | trans | -55.6 | 103.7 | 169.3 | 49 | 0 | 0 | 0 | 0 | 110.3 | E223 | S221-E223 PolarHBondContact O-N 3.21Š| ||
| 222 | S | 42.2 | Very low | 55 | Low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | -82.3 | 91.6 | 157.4 | 52.8 | 0 | 0 | 0 | 0 | 107.6 | P220 E224 | P220-S222 PolarHBondContact O-N 3.12Å; S222-E224 PolarHBondContact O-N 3.2Å | ||
| 223 | E | 49.6 | Very low | 53.3 | Low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -61.7 | 110.7 | 154.4 | -78.9 | 173.1 | 149.9 | 0 | 0 | 107.5 | S221 | S221-E223 PolarHBondContact O-N 3.21Š| ||
| 224 | E | 47.7 | Very low | 52.2 | Low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -102.6 | 102.6 | 156.2 | -80.7 | -177.5 | 171.7 | 0 | 0 | 107.2 | S222 | S222-E224 PolarHBondContact O-N 3.2Š| ||
| 225 | T | 48.2 | Very low | 51.6 | Low | 131 Ų | 131 | 140.7 Ų | 140.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -75.7 | 114.7 | 159 | -41.1 | 0 | 0 | 0 | 0 | 105 | ||||
| 226 | E | 51 | Low | 51 | Low | 188 Ų | 188 | 143.4 Ų | 143.4 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -123.3 | 114.1 | 166.1 | -143.3 | 175.1 | -163.7 | 0 | 0 | 109.2 | ||||
| 227 | E | 50.9 | Low | 50.4 | Low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | -54 | 130.6 | 179.2 | -69 | 175.8 | 123.8 | 0 | 0 | 111.3 | S229 | E227-S229 PolarHBondContact O-N 3.33Š| ||
| 228 | K | 53.7 | Low | 49.9 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 92% | 0.917 | 81% | 0.811 | S | S | * | * | trans | -91.2 | 98.6 | 159.3 | -164.3 | 171.6 | -176.7 | 179.9 | 0 | 108.1 | ||||
| 229 | S | 53.7 | Low | 49.3 | Very low | 105 Ų | 105 | 153.8 Ų | 153.8 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | trans | -56.3 | 140.9 | 166.1 | 65.6 | 0 | 0 | 0 | 0 | 110 | E227 | E227-S229 PolarHBondContact O-N 3.33Š| ||
| 230 | G | 62.2 | Low | 49.8 | Very low | 73 Ų | 73 | 153.9 Ų | 153.9 | 75% | 0.753 | 84% | 0.843 | S | S | * | * | trans | -68.1 | 150.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 231 | E | 50.1 | Low | 50.1 | Low | 276 Ų | 276 | 157.9 Ų | 157.9 | 100% | 1.29 | 86% | 0.855 | S | S | * | * | -158.2 | 0 | 128.3 | -126.9 | 176.4 | 159.4 | 0 | 0 | 108.5 |
Retrieved 231 of 231 residues in 72.4 ms
(Link to these results)