| 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 | 59.8 | Low | 61 | Low | 233 Ų | 233 | 136 Ų | 136 | 100% | 1.148 | 84% | 0.843 | S | S | * | * | 0 | 93.8 | 0 | -63.6 | -70.8 | -178 | 0 | 0 | 107.5 | |||||
| 2 | H | 47.8 | Very low | 61.6 | Low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | trans | -88.1 | 127.6 | 174.2 | -101.8 | -112.5 | 0 | 0 | 0 | 108 | ||||
| 3 | V | 60.1 | Low | 61.1 | Low | 143 Ų | 143 | 143.2 Ų | 143.2 | 87% | 0.867 | 85% | 0.845 | S | S | * | * | trans | -136.5 | 112.9 | 168.3 | -128.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 4 | T | 53.5 | Low | 60.8 | Low | 127 Ų | 127 | 145.2 Ų | 145.2 | 78% | 0.779 | 85% | 0.85 | S | S | * | * | trans | -107.6 | 125.5 | 177.1 | -27.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 5 | A | 66.1 | Low | 60.3 | Low | 97 Ų | 97 | 143.8 Ų | 143.8 | 80% | 0.802 | 84% | 0.844 | S | S | * | * | trans | -120.1 | 130.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 6 | V | 59.6 | Low | 60.1 | Low | 143 Ų | 143 | 145.2 Ų | 145.2 | 87% | 0.867 | 84% | 0.84 | S | S | * | * | trans | -82.2 | 134.7 | -176.5 | 170.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 7 | I | 68.1 | Low | 60.1 | Low | 165 Ų | 165 | 145.1 Ų | 145.1 | 85% | 0.846 | 83% | 0.834 | S | S | * | * | trans | -109.7 | 125.1 | 173.6 | -63 | 177.3 | 0 | 0 | 0 | 109 | ||||
| 8 | G | 66.1 | Low | 60 | Low | 71 Ų | 71 | 147.9 Ų | 147.9 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 156.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 9 | G | 59.3 | Low | 60.2 | Low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 168.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 10 | P | 72.2 | Confident | 59.6 | Low | 130 Ų | 130 | 147.4 Ų | 147.4 | 84% | 0.844 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 142.7 | -179.6 | 34.5 | -30.3 | 0 | 0 | 0 | 113.8 | ||
| 11 | V | 58.2 | Low | 59.5 | Low | 130 Ų | 130 | 146 Ų | 146 | 79% | 0.788 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 130.9 | 169.3 | 168.5 | 0 | 0 | 0 | 0 | 110.1 | ||
| 12 | T | 69 | Low | 59.1 | Low | 142 Ų | 142 | 140.5 Ų | 140.5 | 87% | 0.871 | 81% | 0.814 | S | S | * | * | trans | -137.6 | 113.1 | 152.6 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 13 | R | 54.2 | Low | 59.5 | Low | 223 Ų | 223 | 139.4 Ų | 139.4 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | trans | -112.8 | 130.1 | 159.6 | -71.5 | -177.9 | -176.4 | 173.3 | 1.6 | 105.2 | ||||
| 14 | N | 56.8 | Low | 58.9 | Low | 172 Ų | 172 | 136 Ų | 136 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | trans | -160.2 | 104.1 | 151.9 | -88.2 | -19.4 | 0 | 0 | 0 | 107.4 | ||||
| 15 | T | 54.2 | Low | 59 | Low | 124 Ų | 124 | 137.2 Ų | 137.2 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | trans | -104.8 | 109.1 | 172.8 | -56.1 | 0 | 0 | 0 | 0 | 105.9 | I17 | T15-I17 HydrophobicContact CG2-CD1 4.41Å; T15-I17 HydrophobicContact CG2-CG1 4.01Å | ||
| 16 | E | 56.9 | Low | 58.2 | Low | 166 Ų | 166 | 141.4 Ų | 141.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -100 | 117.3 | 165.9 | -92.4 | -168.6 | 154.7 | 0 | 0 | 109.4 | ||||
| 17 | I | 60.7 | Low | 58.1 | Low | 143 Ų | 143 | 145.7 Ų | 145.7 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -97.6 | 122.6 | 174.3 | -63.4 | 171.9 | 0 | 0 | 0 | 106.1 | T15 | T15-I17 HydrophobicContact CG2-CD1 4.41Å; T15-I17 HydrophobicContact CG2-CG1 4.01Å | ||
| 18 | Y | 57.9 | Low | 57.1 | Low | 196 Ų | 196 | 143.2 Ų | 143.2 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -108.2 | 124.1 | 165.9 | -86.6 | -88.4 | 0 | 0 | 0 | 109.5 | ||||
| 19 | P | 63.9 | Low | 56.6 | Low | 112 Ų | 112 | 148.5 Ų | 148.5 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -89.8 | 143.5 | 169 | 33.1 | -28.1 | 0 | 0 | 0 | 111.7 | ||||
| 20 | N | 48.6 | Very low | 56.1 | Low | 174 Ų | 174 | 150.4 Ų | 150.4 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | trans | -58.6 | 136.8 | 171.5 | -73.4 | -37.9 | 0 | 0 | 0 | 111.7 | ||||
| 21 | S | 57.1 | Low | 55.2 | Low | 117 Ų | 117 | 147.8 Ų | 147.8 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -125.1 | 115.8 | 164.4 | -157.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 22 | S | 50.8 | Low | 55.7 | Low | 118 Ų | 118 | 148.1 Ų | 148.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -65.8 | 126.2 | 165.1 | -87.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 23 | H | 56.5 | Low | 55.9 | Low | 163 Ų | 163 | 146.8 Ų | 146.8 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -139.4 | 111.9 | 153.5 | -135.5 | -92.3 | 0 | 0 | 0 | 108.1 | ||||
| 24 | G | 47.3 | Very low | 56.6 | Low | 71 Ų | 71 | 141.7 Ų | 141.7 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | trans | -79.5 | 132 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 25 | E | 56.2 | Low | 57 | Low | 152 Ų | 152 | 145.2 Ų | 145.2 | 71% | 0.71 | 80% | 0.8 | S | S | * | * | trans | -139.8 | 123 | 159.3 | -75.2 | -161.4 | 141 | 0 | 0 | 109.6 | ||||
| 26 | M | 49.5 | Very low | 57.6 | Low | 185 Ų | 185 | 147.2 Ų | 147.2 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -63.7 | 127.2 | 173.1 | -70.6 | 152 | 45.9 | 0 | 0 | 110.7 | ||||
| 27 | W | 56.9 | Low | 57.7 | Low | 233 Ų | 233 | 144.6 Ų | 144.6 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -134.1 | 89.7 | 160.4 | -76.1 | 74.2 | 0 | 0 | 0 | 109.6 | ||||
| 28 | S | 47.8 | Very low | 57.5 | Low | 113 Ų | 113 | 148.6 Ų | 148.6 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -95.3 | 113.1 | 154.3 | -72.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 29 | Q | 54.4 | Low | 57.6 | Low | 183 Ų | 183 | 145.6 Ų | 145.6 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -175 | 118.8 | 151.5 | -105.5 | 166.6 | 61.1 | 0 | 0 | 112.1 | ||||
| 30 | S | 49.9 | Very low | 57.3 | Low | 112 Ų | 112 | 143.9 Ų | 143.9 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | 34.7 | 131 | 137.1 | 59.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 31 | G | 51.7 | Low | 57.7 | Low | 75 Ų | 75 | 141.8 Ų | 141.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 156.1 | 85.3 | 150.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 32 | T | 70.2 | Confident | 57.7 | Low | 137 Ų | 137 | 144.5 Ų | 144.5 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 134.2 | 161.6 | 37.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 33 | P | 73.5 | Confident | 58.2 | Low | 114 Ų | 114 | 146.6 Ų | 146.6 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80 | 144.5 | 175 | 30.3 | -31.7 | 0 | 0 | 0 | 111.3 | ||
| 34 | P | 68.8 | Low | 58.2 | Low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 139.2 | 178.8 | 30.4 | -31.3 | 0 | 0 | 0 | 111.8 | ||
| 35 | R | 63.7 | Low | 58.6 | Low | 246 Ų | 246 | 146.7 Ų | 146.7 | 93% | 0.928 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 119.7 | 168.3 | -75 | -175.6 | 177.5 | -156.4 | 0.6 | 109.7 | ||
| 36 | H | 66.6 | Low | 58.8 | Low | 166 Ų | 166 | 145.5 Ų | 145.5 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85 | 137.8 | 164.9 | -97.7 | -78.9 | 0 | 0 | 0 | 111.2 | ||
| 37 | P | 59.1 | Low | 59.3 | Low | 111 Ų | 111 | 142.1 Ų | 142.1 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 130.5 | 156.8 | 33.8 | -23.3 | 0 | 0 | 0 | 109.9 | ||
| 38 | R | 58.2 | Low | 59.1 | Low | 226 Ų | 226 | 136.5 Ų | 136.5 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -126.6 | 103.5 | 157.9 | -83.8 | -174.1 | -176.4 | 155.5 | 1.5 | 106 | ||||
| 39 | V | 60.2 | Low | 59.6 | Low | 134 Ų | 134 | 141.7 Ų | 141.7 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | 68.2 | 113.9 | 91.1 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 40 | A | 56.6 | Low | 59.6 | Low | 76 Ų | 76 | 138.3 Ų | 138.3 | 63% | 0.628 | 79% | 0.79 | S | S | * | * | trans | -54.3 | 153.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 41 | D | 56.2 | Low | 60.1 | Low | 130 Ų | 130 | 143.4 Ų | 143.4 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | 172.3 | 144.2 | 116.8 | -93.1 | -31.3 | 0 | 0 | 0 | 113.5 | |||||
| 42 | H | 58.1 | Low | 60.2 | Low | 173 Ų | 173 | 145.4 Ų | 145.4 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | trans | 90.2 | 103 | 156.9 | -48.1 | -36 | 0 | 0 | 0 | 120.4 | ||||
| 43 | L | 60.9 | Low | 59.7 | Low | 163 Ų | 163 | 144.8 Ų | 144.8 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -60.6 | -173.8 | 150.7 | -60.7 | 168.1 | 0 | 0 | 0 | 112 | ||||
| 44 | P | 56.2 | Low | 58.9 | Low | 119 Ų | 119 | 143.9 Ų | 143.9 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | cis | -130.6 | -172.8 | -29.4 | 21.9 | 3 | 0 | 0 | 0 | 113.3 | ||||
| 45 | S | 57.1 | Low | 58.6 | Low | 116 Ų | 116 | 147.8 Ų | 147.8 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -67.8 | -161.8 | -169 | -39.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 46 | P | 58.5 | Low | 58.1 | Low | 127 Ų | 127 | 141.2 Ų | 141.2 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | -116.4 | 158.8 | -115.3 | 31 | -8.5 | 0 | 0 | 0 | 115 | |||||
| 47 | S | 60.1 | Low | 57.5 | Low | 115 Ų | 115 | 145.3 Ų | 145.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -106.3 | 115.9 | 174.2 | 178.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 48 | S | 53 | Low | 57.3 | Low | 115 Ų | 115 | 145.3 Ų | 145.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -57.2 | 131.7 | 163.4 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 49 | R | 58.2 | Low | 57 | Low | 221 Ų | 221 | 140.2 Ų | 140.2 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -140.5 | 99.6 | 158.9 | -127 | 177.3 | -174.2 | -156.4 | 2.9 | 110 | ||||
| 50 | S | 54.8 | Low | 56.9 | Low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -65.8 | 132.5 | 161.7 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 51 | R | 61.7 | Low | 56.7 | Low | 218 Ų | 218 | 143.8 Ų | 143.8 | 82% | 0.823 | 81% | 0.81 | S | S | * | * | trans | -170.8 | 99 | 158.5 | -104.3 | 167.9 | -167 | -126.3 | 2.2 | 108.7 | ||||
| 52 | S | 53.1 | Low | 56.7 | Low | 117 Ų | 117 | 146 Ų | 146 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -80.8 | 146.4 | 152.2 | -60.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 53 | P | 60.4 | Low | 56.7 | Low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | -145.1 | 156.8 | 112.6 | 33.1 | -15.6 | 0 | 0 | 0 | 114.5 | |||||
| 54 | A | 55.5 | Low | 56.3 | Low | 94 Ų | 94 | 150.3 Ų | 150.3 | 78% | 0.777 | 82% | 0.819 | S | S | * | * | trans | -58 | 147.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 55 | K | 63 | Low | 56.3 | Low | 198 Ų | 198 | 150.7 Ų | 150.7 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | -169.4 | 127.9 | 141.9 | -105.6 | 162.1 | -177.1 | -174.3 | 0 | 112.2 | ||||
| 56 | S | 53.7 | Low | 56.3 | Low | 108 Ų | 108 | 150.5 Ų | 150.5 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | 63.9 | 105.2 | 137 | -56.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 57 | R | 53.2 | Low | 56.1 | Low | 253 Ų | 253 | 155.8 Ų | 155.8 | 96% | 0.955 | 82% | 0.816 | S | S | * | * | trans | -4.4 | 119.6 | 136.1 | -56.8 | 167.8 | 84.4 | 173 | 4.6 | 115.5 | ||||
| 58 | S | 54.2 | Low | 55.9 | Low | 110 Ų | 110 | 159 Ų | 159 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -151.6 | 135.7 | 134.3 | 75.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 59 | S | 52.4 | Low | 56.1 | Low | 119 Ų | 119 | 157.9 Ų | 157.9 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -78.5 | 113.6 | 177.6 | 144.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 60 | V | 58.6 | Low | 56.2 | Low | 123 Ų | 123 | 151.9 Ų | 151.9 | 75% | 0.745 | 79% | 0.791 | S | S | * | * | trans | -134.2 | 125.3 | 161.3 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | E62 | V60-E62 PolarHBondContact O-N 3.23Å; V60-E62 VanDerWaalsContact O-N 3.13Å | ||
| 61 | N | 52.5 | Low | 56.3 | Low | 162 Ų | 162 | 153.2 Ų | 153.2 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | -67.2 | 95.8 | -179.8 | -163.7 | 3.9 | 0 | 0 | 0 | 109.3 | ||||
| 62 | E | 54.9 | Low | 55.9 | Low | 177 Ų | 177 | 150 Ų | 150 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -113.2 | 115.1 | 178.2 | -147.5 | 177 | 168.7 | 0 | 0 | 111.7 | V60 R64 | V60-E62 PolarHBondContact O-N 3.23Å; V60-E62 VanDerWaalsContact O-N 3.13Å; E62-R64 PolarHBondContact O-N 3.21Å; E62-R64 VanDerWaalsContact O-N 3.09Å | ||
| 63 | K | 59.5 | Low | 55.7 | Low | 192 Ų | 192 | 149.9 Ų | 149.9 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -56.9 | 111 | 179.9 | -67.7 | 164.5 | -178.7 | 169.3 | 0 | 109.2 | V65 | K63-V65 PolarHBondContact O-N 3.37Š| ||
| 64 | R | 51.1 | Low | 55.5 | Low | 235 Ų | 235 | 150.9 Ų | 150.9 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | -63.6 | 89.3 | 177.7 | -152.7 | 178.6 | -165.4 | 169.5 | 3.9 | 110.4 | E62 T66 | E62-R64 PolarHBondContact O-N 3.21Å; E62-R64 VanDerWaalsContact O-N 3.09Å; R64-T66 VanDerWaalsContact C-N 3.35Å; R64-T66 HydrophobicContact CG-CG2 4.46Å; R64-T66 PolarHBondContact O-N 3.44Å; R64-T66 VanDerWaalsContact O-N 3.12Å | ||
| 65 | V | 56.7 | Low | 55.5 | Low | 127 Ų | 127 | 154.8 Ų | 154.8 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -76.9 | 89.8 | 163.9 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | K63 R67 | K63-V65 PolarHBondContact O-N 3.37Å; V65-R67 PolarHBondContact O-N 3.22Å | ||
| 66 | T | 56.4 | Low | 55.2 | Low | 111 Ų | 111 | 150.6 Ų | 150.6 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | -65.6 | 97 | 168.7 | 33.9 | 0 | 0 | 0 | 0 | 109.6 | R64 F68 | R64-T66 VanDerWaalsContact C-N 3.35Å; R64-T66 HydrophobicContact CG-CG2 4.46Å; R64-T66 PolarHBondContact O-N 3.44Å; R64-T66 VanDerWaalsContact O-N 3.12Å; T66-F68 VanDerWaalsContact C-N 3.35Å; T66-F68 PolarHBondContact O-N 3.3Å | ||
| 67 | R | 55.3 | Low | 55.4 | Low | 238 Ų | 238 | 155 Ų | 155 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -65.1 | 95.2 | 159.4 | -94.6 | -173.9 | -94.2 | 178.3 | -6.9 | 108.1 | V65 S69 | V65-R67 PolarHBondContact O-N 3.22Å; R67-S69 PolarHBondContact O-N 3.11Å; R67-S69 VanDerWaalsContact O-N 3.14Å | ||
| 68 | F | 55.3 | Low | 55.3 | Low | 182 Ų | 182 | 151.5 Ų | 151.5 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | -74.6 | 100 | 174.2 | -158.2 | -94.6 | 0 | 0 | 0 | 109 | T66 M70 | T66-F68 VanDerWaalsContact C-N 3.35Å; T66-F68 PolarHBondContact O-N 3.3Å; F68-M70 HydrophobicContact CD1-CG 4.22Å; F68-M70 PolarHBondContact O-N 3.38Å | ||
| 69 | S | 58.5 | Low | 55 | Low | 93 Ų | 93 | 157 Ų | 157 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | -75.7 | 111.6 | 175.5 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | R67 N71 | R67-S69 PolarHBondContact O-N 3.11Å; R67-S69 VanDerWaalsContact O-N 3.14Å; S69-N71 VanDerWaalsContact C-N 3.3Å; S69-N71 PolarHBondContact O-N 3.04Å; S69-N71 VanDerWaalsContact O-N 3.08Å | ||
| 70 | M | 59.8 | Low | 54.8 | Low | 95 Ų | 95 | 159.8 Ų | 159.8 | 47% | 0.468 | 76% | 0.764 | S | S | . | * | trans | -83.5 | 67.5 | 179.2 | -70.8 | -178.3 | 72.6 | 0 | 0 | 111.7 | F68 Y210 | F68-M70 HydrophobicContact CD1-CG 4.22Å; F68-M70 PolarHBondContact O-N 3.38Å; M70-Y210 HydrophobicContact CE-CE2 4.49Å | ||
| 71 | N | 56.3 | Low | 54.3 | Low | 140 Ų | 140 | 162 Ų | 162 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | trans | -116 | 70.4 | 167.9 | -69.5 | -14.4 | 0 | 0 | 0 | 108.8 | S69 | S69-N71 VanDerWaalsContact C-N 3.3Å; S69-N71 PolarHBondContact O-N 3.04Å; S69-N71 VanDerWaalsContact O-N 3.08Å | ||
| 72 | Q | 54.1 | Low | 54 | Low | 150 Ų | 150 | 161.5 Ų | 161.5 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | trans | -97.9 | 103.4 | 171.9 | -139.2 | 176.4 | 55.3 | 0 | 0 | 108.5 | F74 | Q72-F74 WeakPolarHBondContact O-CD2 3.48Å; Q72-F74 WeakPolarHBondContact O-CE2 3.29Å; Q72-F74 PolarHBondContact O-N 2.89Å | ||
| 73 | T | 49.2 | Very low | 53.7 | Low | 115 Ų | 115 | 161 Ų | 161 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -70.8 | 115.2 | 170.5 | -57.7 | 0 | 0 | 0 | 0 | 108.3 | H75 | T73-H75 PolarHBondContact O-N 3.5Š| ||
| 74 | F | 55.1 | Low | 52.9 | Low | 146 Ų | 146 | 159.7 Ų | 159.7 | 64% | 0.64 | 76% | 0.758 | S | S | * | * | trans | -86.2 | 99.4 | -179.6 | -66.6 | -82.9 | 0 | 0 | 0 | 110.7 | Q72 V76 | Q72-F74 WeakPolarHBondContact O-CD2 3.48Å; Q72-F74 WeakPolarHBondContact O-CE2 3.29Å; Q72-F74 PolarHBondContact O-N 2.89Å; F74-V76 PolarHBondContact O-N 3.06Å | ||
| 75 | H | 56.2 | Low | 52.7 | Low | 177 Ų | 177 | 156.2 Ų | 156.2 | 82% | 0.819 | 76% | 0.756 | S | S | * | * | trans | -78.5 | 108.9 | 161.2 | -72.8 | -76.7 | 0 | 0 | 0 | 108.9 | T73 | T73-H75 PolarHBondContact O-N 3.5Š| ||
| 76 | V | 55.3 | Low | 51.9 | Low | 109 Ų | 109 | 155.2 Ų | 155.2 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | trans | -83.5 | 111.6 | 171.6 | 171 | 0 | 0 | 0 | 0 | 108.2 | F74 Q78 | F74-V76 PolarHBondContact O-N 3.06Å; V76-Q78 PolarHBondContact O-N 2.88Å | ||
| 77 | K | 59.7 | Low | 50.9 | Low | 201 Ų | 201 | 155.6 Ų | 155.6 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -82.4 | 105.5 | 168.7 | -162.3 | 161.9 | -174.6 | 174.9 | 0 | 107.7 | R79 | K77-R79 PolarHBondContact O-N 3.42Š| ||
| 78 | Q | 49.8 | Very low | 50.6 | Low | 179 Ų | 179 | 150.8 Ų | 150.8 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | -62.3 | 119.3 | 169.2 | -81.7 | -174.5 | -15 | 0 | 0 | 108.7 | V76 | V76-Q78 PolarHBondContact O-N 2.88Š| ||
| 79 | R | 48.7 | Very low | 50.2 | Low | 225 Ų | 225 | 148.7 Ų | 148.7 | 85% | 0.849 | 76% | 0.762 | S | S | * | * | trans | -106.1 | 101.5 | 168.4 | -152.7 | 176.4 | -176.8 | -178.3 | -0.2 | 106.7 | K77 Q81 | K77-R79 PolarHBondContact O-N 3.42Å; R79-Q81 PolarHBondContact O-N 3.13Å | ||
| 80 | K | 46.9 | Very low | 49.5 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | trans | -60.3 | 119.4 | 163.5 | -80.6 | -179.3 | 173.7 | -177 | 0 | 107.3 | ||||
| 81 | Q | 48.9 | Very low | 48.8 | Very low | 170 Ų | 170 | 151 Ų | 151 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -103.5 | 108.6 | 156.7 | -77.1 | -169.5 | -20.2 | 0 | 0 | 106.7 | R79 | R79-Q81 PolarHBondContact O-N 3.13Š| ||
| 82 | H | 45.5 | Very low | 48.6 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -65.6 | 127.5 | 159 | -86.1 | -112 | 0 | 0 | 0 | 107.4 | ||||
| 83 | N | 50.4 | Low | 48.1 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -114.1 | 88.3 | 159.1 | -124 | 22.5 | 0 | 0 | 0 | 105.9 | ||||
| 84 | E | 42.5 | Very low | 48.3 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -81.9 | 131.2 | 153.9 | -80.9 | -89.4 | 136.7 | 0 | 0 | 105.9 | ||||
| 85 | L | 46.5 | Very low | 47.8 | Very low | 162 Ų | 162 | 153.2 Ų | 153.2 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | 179.7 | 128.6 | 134.6 | -93 | 166.4 | 0 | 0 | 0 | 110.7 | ||||
| 86 | S | 40.3 | Very low | 47.5 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | 76 | 95.7 | 148.3 | 46.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 87 | S | 35.6 | Very low | 47.4 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -59.7 | 130.4 | 146.5 | -16.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 88 | T | 48.7 | Very low | 47.5 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -147.1 | 122 | 148.6 | 43.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 89 | T | 45.7 | Very low | 48.5 | Very low | 138 Ų | 138 | 148 Ų | 148 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | -48.1 | 139.3 | 168.3 | 45.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 90 | S | 43.5 | Very low | 49.4 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | -178.4 | 125.9 | 122.7 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 91 | T | 44.9 | Very low | 49.5 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | trans | -40.6 | 130.4 | 166.4 | 18.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 92 | L | 52.9 | Low | 49.6 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 83% | 0.827 | 81% | 0.812 | S | S | * | * | trans | -154.3 | 107.6 | 139.6 | -129.6 | 168.4 | 0 | 0 | 0 | 109.8 | ||||
| 93 | L | 43.2 | Very low | 50 | Low | 156 Ų | 156 | 148.2 Ų | 148.2 | 82% | 0.817 | 82% | 0.819 | S | S | * | * | trans | -66.7 | 124.7 | 170.4 | -66.9 | 167.6 | 0 | 0 | 0 | 108.6 | ||||
| 94 | H | 54 | Low | 49.8 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | -140.6 | 125.1 | 152.7 | -101.2 | -165.4 | 0 | 0 | 0 | 108.4 | L96 | H94-L96 PolarHBondContact O-N 3.4Š| ||
| 95 | S | 44.6 | Very low | 50.1 | Low | 112 Ų | 112 | 146.2 Ų | 146.2 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | trans | -58.2 | 114.5 | 179.6 | 45.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 96 | L | 49.3 | Very low | 50.2 | Low | 154 Ų | 154 | 145.8 Ų | 145.8 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | trans | -113.6 | 101.3 | 164.1 | -66.9 | 180 | 0 | 0 | 0 | 108.2 | H94 L98 | H94-L96 PolarHBondContact O-N 3.4Å; L96-L98 PolarHBondContact O-N 2.91Å | ||
| 97 | V | 54 | Low | 50.6 | Low | 136 Ų | 136 | 145 Ų | 145 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -58.6 | 112.7 | 168.5 | 172 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 98 | L | 62 | Low | 51 | Low | 154 Ų | 154 | 148.9 Ų | 148.9 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 128.9 | 169.1 | -89.3 | 77.8 | 0 | 0 | 0 | 109.3 | L96 | L96-L98 PolarHBondContact O-N 2.91Š|
| 99 | P | 70.6 | Confident | 51 | Low | 111 Ų | 111 | 147.3 Ų | 147.3 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 145.4 | 171.4 | 29.2 | -31.6 | 0 | 0 | 0 | 111.5 | ||
| 100 | P | 68.4 | Low | 51 | Low | 122 Ų | 122 | 144.6 Ų | 144.6 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 141.8 | -176 | 28.7 | -33.4 | 0 | 0 | 0 | 112.7 | ||
| 101 | L | 47.9 | Very low | 50.8 | Low | 172 Ų | 172 | 147 Ų | 147 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 130.3 | 173.9 | -70 | 169.9 | 0 | 0 | 0 | 110.3 | ||
| 102 | R | 50.9 | Low | 50.8 | Low | 252 Ų | 252 | 144.1 Ų | 144.1 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 132.1 | 174.7 | -67.6 | -176.6 | -177.4 | -120.3 | 0.1 | 110.5 | ||
| 103 | E | 54.8 | Low | 50.5 | Low | 184 Ų | 184 | 145 Ų | 145 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 155.5 | -177.8 | -68 | 177.4 | 158.5 | 0 | 0 | 113.9 | ||
| 104 | V | 45.5 | Very low | 50.5 | Low | 131 Ų | 131 | 142.7 Ų | 142.7 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 128.3 | 174.2 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | N106 | V104-N106 HydrophobicContact CG1-CB 4.33Š|
| 105 | I | 49.7 | Very low | 50.2 | Low | 157 Ų | 157 | 139.9 Ų | 139.9 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | trans | -127.1 | 110.4 | 156.4 | -47.7 | 174.6 | 0 | 0 | 0 | 106.9 | P107 | I105-P107 WeakPolarHBondContact O-CD 3.48Š| ||
| 106 | N | 47.6 | Very low | 50.5 | Low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -104.9 | 107.3 | 177.5 | -156 | 63.2 | 0 | 0 | 0 | 106.2 | V104 | V104-N106 HydrophobicContact CG1-CB 4.33Š| ||
| 107 | P | 49.5 | Very low | 50.5 | Low | 90 Ų | 90 | 141.1 Ų | 141.1 | 58% | 0.584 | 77% | 0.77 | S | S | * | * | trans | -112.5 | 137.2 | 173.8 | 40 | -29.5 | 0 | 0 | 0 | 110.6 | I105 | I105-P107 WeakPolarHBondContact O-CD 3.48Š| ||
| 108 | F | 43.3 | Very low | 50.7 | Low | 202 Ų | 202 | 144 Ų | 144 | 89% | 0.886 | 77% | 0.771 | S | S | * | * | trans | 99.8 | 82.7 | 161.5 | -64 | -77.3 | 0 | 0 | 0 | 119.3 | ||||
| 109 | S | 48.3 | Very low | 50.4 | Low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -64 | 130.4 | 144.1 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 110 | S | 45.1 | Very low | 49.3 | Very low | 80 Ų | 80 | 144 Ų | 144 | 56% | 0.559 | 77% | 0.772 | S | S | * | * | trans | 54 | 124.7 | 134.4 | 73.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 111 | N | 41.1 | Very low | 48.1 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | 91 | 122.9 | 140.4 | -52.8 | -15.8 | 0 | 0 | 0 | 118.5 | ||||
| 112 | G | 44.7 | Very low | 47.8 | Very low | 63 Ų | 63 | 138.7 Ų | 138.7 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | trans | 134.6 | 97.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 113 | I | 46.6 | Very low | 46.9 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | trans | 89.9 | 130.6 | 130.4 | -60.3 | 152.5 | 0 | 0 | 0 | 119.2 | ||||
| 114 | C | 42.7 | Very low | 46.3 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 72% | 0.716 | 76% | 0.758 | S | S | * | * | trans | -64.6 | 168.5 | -175.6 | -109.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 115 | D | 46.9 | Very low | 46.1 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | trans | 84.3 | 110.2 | 142 | -80.1 | 7.8 | 0 | 0 | 0 | 119.7 | ||||
| 116 | K | 51.2 | Low | 45.5 | Very low | 157 Ų | 157 | 128.9 Ų | 128.9 | 68% | 0.683 | 76% | 0.757 | S | S | * | * | 163.9 | 122.8 | 96.1 | -76.1 | -51.9 | 178.6 | -155.8 | 0 | 111.3 | |||||
| 117 | I | 49.7 | Very low | 45.1 | Very low | 135 Ų | 135 | 131 Ų | 131 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | 54.9 | 122.7 | 124.2 | -53.9 | 179.7 | 0 | 0 | 0 | 117 | |||||
| 118 | K | 57.5 | Low | 44.7 | Very low | 197 Ų | 197 | 133 Ų | 133 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | cis | -174 | 170 | 47.3 | -125.4 | 157.9 | -168.5 | -175.3 | 0 | 110.8 | ||||
| 119 | P | 56.5 | Low | 44.7 | Very low | 101 Ų | 101 | 132.7 Ų | 132.7 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | trans | -111.6 | -176.8 | -165.7 | 41.2 | -28.8 | 0 | 0 | 0 | 115.4 | ||||
| 120 | N | 46.6 | Very low | 44.6 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | 89 | 125.6 | 161.9 | -63.7 | -15.1 | 0 | 0 | 0 | 119.1 | ||||
| 121 | G | 44.8 | Very low | 44.6 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | 168.5 | 127.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 122 | A | 40.4 | Very low | 44.9 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -89.3 | 165.6 | -157 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 123 | C | 32.7 | Very low | 45.2 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | trans | 58.4 | 127 | 142 | -154.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 124 | G | 42.2 | Very low | 44.7 | Very low | 61 Ų | 61 | 142.4 Ų | 142.4 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | 168 | 94.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N126 | G124-N126 VanDerWaalsContact C-OD1 3.32Å; G124-N126 PolarHBondContact O-N 3.32Å; G124-N126 PolarHBondContact O-OD1 2.91Å | ||
| 125 | E | 41.1 | Very low | 45.1 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | trans | -71.7 | 100.7 | 172.5 | -68.6 | 179.2 | 121.2 | 0 | 0 | 112.5 | ||||
| 126 | N | 37 | Very low | 45.5 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 65% | 0.652 | 75% | 0.748 | S | S | * | * | trans | -152.4 | 105.2 | 172.7 | -40.8 | 57.3 | 0 | 0 | 0 | 112.8 | G124 | G124-N126 VanDerWaalsContact C-OD1 3.32Å; G124-N126 PolarHBondContact O-N 3.32Å; G124-N126 PolarHBondContact O-OD1 2.91Å | ||
| 127 | K | 39.3 | Very low | 45.9 | Very low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.865 | 74% | 0.741 | S | S | * | * | trans | 42 | 96.4 | 135.6 | -55.2 | 174.9 | -176.7 | 176.9 | 0 | 117 | ||||
| 128 | N | 40.8 | Very low | 46.6 | Very low | 132 Ų | 132 | 140 Ų | 140 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -149.1 | 54.3 | 162.5 | -79.3 | -53.6 | 0 | 0 | 0 | 112.8 | S130 | N128-S130 PolarHBondContact O-N 3.21Š| ||
| 129 | E | 44.5 | Very low | 47.1 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 91% | 0.907 | 73% | 0.725 | S | S | * | * | trans | -83.2 | 94.7 | 160.9 | -176.6 | 167.2 | -160.6 | 0 | 0 | 107.6 | ||||
| 130 | S | 44.4 | Very low | 47.5 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 170.7 | 1.4 | 161.5 | 44.3 | 0 | 0 | 0 | 0 | 118 | N128 | N128-S130 PolarHBondContact O-N 3.21Š|
| 131 | R | 46.4 | Very low | 48.3 | Very low | 214 Ų | 214 | 132.3 Ų | 132.3 | 81% | 0.808 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -118.2 | 42.5 | -171.1 | -73.5 | -162.8 | -78 | -179 | -6.2 | 118.2 | ||
| 132 | K | 47.7 | Very low | 49.2 | Very low | 167 Ų | 167 | 132.5 Ų | 132.5 | 73% | 0.726 | 68% | 0.682 | S | S | * | * | trans | -135.5 | 10 | 171.5 | -67.3 | -159.3 | 178 | -168.1 | 0 | 117.4 | ||||
| 133 | H | 49.6 | Very low | 50.3 | Low | 133 Ų | 133 | 129.4 Ų | 129.4 | 62% | 0.616 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 1.9 | -161.9 | -128.8 | 63.1 | 0 | 0 | 0 | 117.8 | K137 | H133-K137 VanDerWaalsContact CD2-CE 3.5Å; H133-K137 WeakPolarHBondContact CD2-CE 3.33Å |
| 134 | F | 37.2 | Very low | 51.7 | Low | 172 Ų | 172 | 124.6 Ų | 124.6 | 75% | 0.754 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | -33.4 | -173.7 | -146.6 | -99.5 | 0 | 0 | 0 | 114.8 | ||
| 135 | G | 51.3 | Low | 52.7 | Low | 49 Ų | 49 | 129.1 Ų | 129.1 | 51% | 0.505 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -78.5 | -36.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K137 I139 | G135-K137 VanDerWaalsContact C-N 3.33Å; G135-K137 PolarHBondContact O-N 3.38Å; G135-I139 WeakPolarHBondContact O-CD1 3.47Å; G135-I139 VanDerWaalsContact O-CG1 3.32Å; G135-I139 WeakPolarHBondContact O-CG1 3.37Å; G135-I139 PolarHBondContact O-N 3.09Å |
| 136 | E | 55 | Low | 54 | Low | 111 Ų | 111 | 124.5 Ų | 124.5 | 52% | 0.519 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.1 | -33.3 | -178.1 | -76.4 | 179.1 | 161.5 | 0 | 0 | 112.8 | I139 L140 | E136-I139 PolarHBondContact O-N 3.07Å; E136-L140 WeakPolarHBondContact O-CB 3.38Å; E136-L140 VanDerWaalsContact O-CG 3.23Å; E136-L140 WeakPolarHBondContact O-CG 3.27Å; E136-L140 PolarHBondContact O-N 3.09Å |
| 137 | K | 59.5 | Low | 55.5 | Low | 125 Ų | 125 | 124.8 Ų | 124.8 | 54% | 0.543 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.4 | -45.9 | -177.9 | -69.5 | -174.1 | -179 | -177 | 0 | 112.3 | H133 G135 I139 L140 E141 | H133-K137 VanDerWaalsContact CD2-CE 3.5Å; H133-K137 WeakPolarHBondContact CD2-CE 3.33Å; G135-K137 VanDerWaalsContact C-N 3.33Å; G135-K137 PolarHBondContact O-N 3.38Å; K137-I139 VanDerWaalsContact C-N 3.34Å; K137-I139 PolarHBondContact O-N 3.05Å; K137-L140 PolarHBondContact O-N 2.7Å; K137-E141 WeakPolarHBondContact O-CB 3.36Å; K137-E141 PolarHBondContact O-N 2.98Å |
| 138 | R | 63.8 | Low | 56.8 | Low | 177 Ų | 177 | 118 Ų | 118 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65 | -38.4 | 176 | -76.3 | -162.7 | -167.3 | -150.7 | 4.5 | 112 | E141 V142 | R138-E141 PolarHBondContact O-N 3.17Å; R138-V142 WeakPolarHBondContact O-CB 2.97Å; R138-V142 WeakPolarHBondContact O-CG2 3.49Å; R138-V142 PolarHBondContact O-N 3.4Å |
| 139 | I | 67.9 | Low | 58.1 | Low | 104 Ų | 104 | 121 Ų | 121 | 53% | 0.533 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.6 | -44.8 | 178.4 | -64.1 | 166 | 0 | 0 | 0 | 109.9 | G135 E136 K137 E141 V142 L143 | G135-I139 WeakPolarHBondContact O-CD1 3.47Å; G135-I139 VanDerWaalsContact O-CG1 3.32Å; G135-I139 WeakPolarHBondContact O-CG1 3.37Å; G135-I139 PolarHBondContact O-N 3.09Å; E136-I139 PolarHBondContact O-N 3.07Å; K137-I139 VanDerWaalsContact C-N 3.34Å; K137-I139 PolarHBondContact O-N 3.05Å; I139-E141 VanDerWaalsContact C-N 3.31Å; I139-E141 PolarHBondContact O-N 2.73Å; I139-V142 PolarHBondContact O-N 3.06Å; I139-L143 HydrophobicContact CG2-CD1 3.79Å; I139-L143 HydrophobicContact CG2-CG 4.29Å; I139-L143 VanDerWaalsContact O-CB 3.29Å; I139-L143 WeakPolarHBondContact O-CB 3.32Å; I139-L143 WeakPolarHBondContact O-CG 3.24Å; I139-L143 PolarHBondContact O-N 3.4Å |
| 140 | L | 64.2 | Low | 59.2 | Low | 63 Ų | 63 | 115.5 Ų | 115.5 | 33% | 0.33 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 176.9 | -73.4 | 171.1 | 0 | 0 | 0 | 112.2 | E136 K137 A144 L163 | E136-L140 WeakPolarHBondContact O-CB 3.38Å; E136-L140 VanDerWaalsContact O-CG 3.23Å; E136-L140 WeakPolarHBondContact O-CG 3.27Å; E136-L140 PolarHBondContact O-N 3.09Å; K137-L140 PolarHBondContact O-N 2.7Å; L140-A144 WeakPolarHBondContact O-CB 3.13Å; L140-A144 PolarHBondContact O-N 3.43Å; L140-L163 HydrophobicContact CD2-CD1 4.09Å |
| 141 | E | 65.2 | Low | 60.3 | Low | 133 Ų | 133 | 111.8 Ų | 111.8 | 62% | 0.621 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.9 | -45.2 | 177.7 | -173 | 171.8 | -162.7 | 0 | 0 | 112.5 | K137 R138 I139 L143 A144 | K137-E141 WeakPolarHBondContact O-CB 3.36Å; K137-E141 PolarHBondContact O-N 2.98Å; R138-E141 PolarHBondContact O-N 3.17Å; I139-E141 VanDerWaalsContact C-N 3.31Å; I139-E141 PolarHBondContact O-N 2.73Å; E141-L143 VanDerWaalsContact C-N 3.28Å; E141-L143 PolarHBondContact O-N 2.75Å; E141-A144 WeakPolarHBondContact O-CA 3.43Å; E141-A144 VanDerWaalsContact O-CB 3.23Å; E141-A144 WeakPolarHBondContact O-CB 3.45Å; E141-A144 PolarHBondContact O-N 3.01Å |
| 142 | V | 62.5 | Low | 61.3 | Low | 86 Ų | 86 | 111 Ų | 111 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 175.6 | 170 | 0 | 0 | 0 | 0 | 111.3 | R138 I139 A144 | R138-V142 WeakPolarHBondContact O-CB 2.97Å; R138-V142 WeakPolarHBondContact O-CG2 3.49Å; R138-V142 PolarHBondContact O-N 3.4Å; I139-V142 PolarHBondContact O-N 3.06Å; V142-A144 VanDerWaalsContact C-N 3.31Å |
| 143 | L | 64 | Low | 62.7 | Low | 35 Ų | 35 | 105.3 Ų | 105.3 | 18% | 0.183 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -69 | -33.9 | 172 | -68.1 | 174.2 | 0 | 0 | 0 | 110.4 | I139 E141 E145 R146 R160 | I139-L143 HydrophobicContact CG2-CD1 3.79Å; I139-L143 HydrophobicContact CG2-CG 4.29Å; I139-L143 VanDerWaalsContact O-CB 3.29Å; I139-L143 WeakPolarHBondContact O-CB 3.32Å; I139-L143 WeakPolarHBondContact O-CG 3.24Å; I139-L143 PolarHBondContact O-N 3.4Å; E141-L143 VanDerWaalsContact C-N 3.28Å; E141-L143 PolarHBondContact O-N 2.75Å; L143-E145 PolarHBondContact O-N 2.82Å; L143-E145 VanDerWaalsContact O-N 3.17Å; L143-R146 WeakPolarHBondContact O-CB 3.45Å; L143-R146 PolarHBondContact O-N 3.05Å; L143-R160 PolarHBondContact O-NH1 3.1Å |
| 144 | A | 62.6 | Low | 64.2 | Low | 35 Ų | 35 | 106.6 Ų | 106.6 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -54.7 | -36.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | L140 E141 V142 R146 R160 | L140-A144 WeakPolarHBondContact O-CB 3.13Å; L140-A144 PolarHBondContact O-N 3.43Å; E141-A144 WeakPolarHBondContact O-CA 3.43Å; E141-A144 VanDerWaalsContact O-CB 3.23Å; E141-A144 WeakPolarHBondContact O-CB 3.45Å; E141-A144 PolarHBondContact O-N 3.01Å; V142-A144 VanDerWaalsContact C-N 3.31Å; A144-R146 VanDerWaalsContact C-N 3.33Å; A144-R160 VanDerWaalsContact CA-NH2 3.35Å |
| 145 | E | 63.2 | Low | 66.5 | Low | 156 Ų | 156 | 101.4 Ų | 101.4 | 73% | 0.729 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.2 | 179.7 | -61.2 | -56 | 143.4 | 0 | 0 | 114 | L143 | L143-E145 PolarHBondContact O-N 2.82Å; L143-E145 VanDerWaalsContact O-N 3.17Å |
| 146 | R | 67.2 | Low | 67.9 | Low | 101 Ų | 101 | 102.3 Ų | 102.3 | 38% | 0.381 | 47% | 0.474 | S | S | . | . | trans | -78.2 | 131.6 | -176.9 | -70.6 | -172.5 | -171.3 | 173.8 | -0 | 112.7 | L143 A144 D150 F151 | L143-R146 WeakPolarHBondContact O-CB 3.45Å; L143-R146 PolarHBondContact O-N 3.05Å; A144-R146 VanDerWaalsContact C-N 3.33Å; R146-D150 VanDerWaalsContact CA-OD2 3.26Å; R146-D150 WeakPolarHBondContact CA-OD2 3.26Å; R146-D150 HydrophobicContact CB-CB 3.94Å; R146-D150 HydrophobicContact CG-CB 4.12Å; R146-F151 HydrophobicContact CB-CE2 4.12Å; R146-F151 HydrophobicContact CB-CZ 4.16Å | ||
| 147 | K | 68 | Low | 69.2 | Low | 129 Ų | 129 | 97.4 Ų | 97.4 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | trans | -79.6 | 161.7 | 173.2 | -66.2 | 174.4 | -176.5 | 169.3 | 0 | 109.8 | Y149 D150 F151 S200 | K147-Y149 PolarHBondContact O-N 3.02Å; K147-D150 PolarHBondContact N-OD2 3.46Å; K147-D150 WeakPolarHBondContact O-CB 3.14Å; K147-D150 PolarHBondContact O-N 2.97Å; K147-F151 VanDerWaalsContact O-CD2 3.24Å; K147-F151 WeakPolarHBondContact O-CD2 3.14Å; K147-F151 WeakPolarHBondContact O-CE2 3.38Å; K147-S200 CarbonylContact C-O 3.57Å; K147-S200 WeakPolarHBondContact CA-O 3.29Å | ||
| 148 | R | 67.3 | Low | 70.6 | Confident | 56 Ų | 56 | 94.7 Ų | 94.7 | 21% | 0.211 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -49.7 | -32.9 | 175.2 | 178 | -174.1 | -78.6 | -141 | -10 | 113.1 | D150 W157 I194 S195 G198 T199 S200 | R148-D150 VanDerWaalsContact C-N 3.26Å; R148-D150 PolarHBondContact O-N 3.24Å; R148-W157 HydrophobicContact CB-CZ3 4.47Å; R148-W157 HydrophobicContact CG-CD2 4.31Å; R148-I194 PolarHBondContact NH2-O 3.43Å; R148-S195 PolarHBondContact NH1-O 3.45Å; R148-S195 PolarHBondContact NH2-O 2.99Å; R148-G198 VanDerWaalsContact CZ-CA 3.46Å; R148-G198 VanDerWaalsContact NH2-C 3.34Å; R148-T199 PolarHBondContact NE-O 2.98Å; R148-T199 VanDerWaalsContact NH2-N 3.15Å; R148-T199 PolarHBondContact NH2-O 3.49Å; R148-S200 PolarHBondContact N-O 2.79Å |
| 149 | Y | 68.5 | Low | 71.7 | Confident | 195 Ų | 195 | 92.1 Ų | 92.1 | 77% | 0.765 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -74.6 | -14.1 | -179.7 | -58.3 | -72.3 | 0 | 0 | 0 | 113.8 | K147 F151 | K147-Y149 PolarHBondContact O-N 3.02Å; Y149-F151 VanDerWaalsContact C-N 3.26Å |
| 150 | D | 68.4 | Low | 72.5 | Confident | 79 Ų | 79 | 87.8 Ų | 87.8 | 42% | 0.422 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -86.4 | -1.2 | 179.7 | -53.5 | -25.6 | 0 | 0 | 0 | 112.2 | R146 K147 R148 | R146-D150 VanDerWaalsContact CA-OD2 3.26Å; R146-D150 WeakPolarHBondContact CA-OD2 3.26Å; R146-D150 HydrophobicContact CB-CB 3.94Å; R146-D150 HydrophobicContact CG-CB 4.12Å; K147-D150 PolarHBondContact N-OD2 3.46Å; K147-D150 WeakPolarHBondContact O-CB 3.14Å; K147-D150 PolarHBondContact O-N 2.97Å; R148-D150 VanDerWaalsContact C-N 3.26Å; R148-D150 PolarHBondContact O-N 3.24Å |
| 151 | F | 67.4 | Low | 73.6 | Confident | 27 Ų | 27 | 85 Ų | 85 | 12% | 0.118 | 40% | 0.398 | C | S | . | . | trans | -97.6 | 125.8 | 177.5 | -63.9 | -85.6 | 0 | 0 | 0 | 109.4 | R146 K147 Y149 S153 E156 W157 R160 | R146-F151 HydrophobicContact CB-CE2 4.12Å; R146-F151 HydrophobicContact CB-CZ 4.16Å; K147-F151 VanDerWaalsContact O-CD2 3.24Å; K147-F151 WeakPolarHBondContact O-CD2 3.14Å; K147-F151 WeakPolarHBondContact O-CE2 3.38Å; Y149-F151 VanDerWaalsContact C-N 3.26Å; F151-S153 PolarHBondContact O-N 3.01Å; F151-E156 HydrophobicContact CB-CB 4.32Å; F151-E156 HydrophobicContact CD1-CB 3.87Å; F151-W157 HydrophobicContact CB-CB 4.27Å; F151-W157 AromaticContact CD2-CE3 3.65Å; F151-W157 HydrophobicContact CD2-CE3 3.65Å; F151-W157 HydrophobicContact CD2-CZ3 4.3Å; F151-W157 AromaticContact CE2-CE3 3.52Å; F151-W157 HydrophobicContact CE2-CE3 3.52Å; F151-W157 AromaticContact CE2-CZ3 3.81Å; F151-W157 HydrophobicContact CE2-CZ3 3.81Å; F151-W157 HydrophobicContact CG-CB 4.29Å; F151-W157 HydrophobicContact CG-CE3 4.37Å; F151-W157 HydrophobicContact CZ-CE3 4.14Å; F151-W157 HydrophobicContact CZ-CZ3 4.46Å; F151-R160 HydrophobicContact CE1-CB 3.99Å; F151-R160 HydrophobicContact CE1-CG 4.44Å; F151-R160 HydrophobicContact CZ-CB 3.99Å; F151-R160 HydrophobicContact CZ-CG 3.99Å | ||
| 152 | F | 65.7 | Low | 74.7 | Confident | 198 Ų | 198 | 79.3 Ų | 79.3 | 87% | 0.868 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -68.1 | -27.3 | -177.8 | -67.7 | -83.4 | 0 | 0 | 0 | 111.6 | E156 | F152-E156 PolarHBondContact N-OE2 2.88Š|
| 153 | S | 78.5 | Confident | 75.9 | Confident | 47 Ų | 47 | 78.7 Ų | 78.7 | 33% | 0.329 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -136.4 | 154.7 | -179.5 | 77.3 | 0 | 0 | 0 | 0 | 113.6 | F151 S155 E156 W157 | F151-S153 PolarHBondContact O-N 3.01Å; S153-S155 PolarHBondContact O-N 3.32Å; S153-S155 PolarHBondContact OG-N 3.33Å; S153-E156 PolarHBondContact N-OE2 2.86Å; S153-E156 PolarHBondContact O-N 3.12Å; S153-E156 WeakPolarHBondContact OG-CG 3.21Å; S153-E156 PolarHBondContact OG-N 2.84Å; S153-E156 VanDerWaalsContact OG-N 3.13Å; S153-W157 PolarHBondContact O-N 3.18Å |
| 154 | R | 80.3 | Confident | 77 | Confident | 160 Ų | 160 | 77.9 Ų | 77.9 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.8 | -28.4 | 169.6 | -173.2 | 177.9 | -175.3 | 172.9 | 1.2 | 112 | Q158 | R154-Q158 VanDerWaalsContact O-CG 3.28Å; R154-Q158 WeakPolarHBondContact O-CG 3.36Å; R154-Q158 PolarHBondContact O-N 3.25Å |
| 155 | S | 84.9 | Confident | 78.3 | Confident | 64 Ų | 64 | 76.2 Ų | 76.2 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.3 | -49.9 | 177.8 | -165.9 | 0 | 0 | 0 | 0 | 111.1 | S153 W157 Q158 E159 | S153-S155 PolarHBondContact O-N 3.32Å; S153-S155 PolarHBondContact OG-N 3.33Å; S155-W157 VanDerWaalsContact C-N 3.28Å; S155-W157 PolarHBondContact O-N 2.91Å; S155-Q158 CarbonylContact O-C 3.5Å; S155-Q158 WeakPolarHBondContact O-CA 2.81Å; S155-Q158 WeakPolarHBondContact O-CB 3.31Å; S155-Q158 PolarHBondContact O-N 3.47Å; S155-E159 PolarHBondContact O-N 2.97Å |
| 156 | E | 81.4 | Confident | 79.5 | Confident | 68 Ų | 68 | 74.4 Ų | 74.4 | 32% | 0.318 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60 | -40 | 177.6 | -68.4 | 168.7 | -177 | 0 | 0 | 111.7 | F151 F152 S153 Q158 E159 R160 | F151-E156 HydrophobicContact CB-CB 4.32Å; F151-E156 HydrophobicContact CD1-CB 3.87Å; F152-E156 PolarHBondContact N-OE2 2.88Å; S153-E156 PolarHBondContact N-OE2 2.86Å; S153-E156 PolarHBondContact O-N 3.12Å; S153-E156 WeakPolarHBondContact OG-CG 3.21Å; S153-E156 PolarHBondContact OG-N 2.84Å; S153-E156 VanDerWaalsContact OG-N 3.13Å; E156-Q158 VanDerWaalsContact C-N 3.32Å; E156-Q158 PolarHBondContact O-N 3.46Å; E156-E159 WeakPolarHBondContact O-CB 3.35Å; E156-E159 PolarHBondContact O-N 2.96Å; E156-R160 PolarHBondContact O-N 2.93Å |
| 157 | W | 82.8 | Confident | 80.4 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -39.6 | 173.4 | 174.5 | -120.1 | 0 | 0 | 0 | 112.3 | R148 F151 S153 S155 R160 I161 T199 | R148-W157 HydrophobicContact CB-CZ3 4.47Å; R148-W157 HydrophobicContact CG-CD2 4.31Å; F151-W157 HydrophobicContact CB-CB 4.27Å; F151-W157 AromaticContact CD2-CE3 3.65Å; F151-W157 HydrophobicContact CD2-CE3 3.65Å; F151-W157 HydrophobicContact CD2-CZ3 4.3Å; F151-W157 AromaticContact CE2-CE3 3.52Å; F151-W157 HydrophobicContact CE2-CE3 3.52Å; F151-W157 AromaticContact CE2-CZ3 3.81Å; F151-W157 HydrophobicContact CE2-CZ3 3.81Å; F151-W157 HydrophobicContact CG-CB 4.29Å; F151-W157 HydrophobicContact CG-CE3 4.37Å; F151-W157 HydrophobicContact CZ-CE3 4.14Å; F151-W157 HydrophobicContact CZ-CZ3 4.46Å; S153-W157 PolarHBondContact O-N 3.18Å; S155-W157 VanDerWaalsContact C-N 3.28Å; S155-W157 PolarHBondContact O-N 2.91Å; W157-R160 PolarHBondContact O-N 3.46Å; W157-I161 HydrophobicContact CD2-CD1 4Å; W157-I161 HydrophobicContact CD2-CG1 4.29Å; W157-I161 HydrophobicContact CG-CD1 4.17Å; W157-I161 HydrophobicContact CH2-CG1 4.45Å; W157-I161 HydrophobicContact CZ2-CD1 3.79Å; W157-I161 HydrophobicContact CZ2-CG1 3.98Å; W157-I161 WeakPolarHBondContact O-CG1 3.4Å; W157-I161 PolarHBondContact O-N 3.2Å; W157-T199 VanDerWaalsContact CZ2-O 3.24Å; W157-T199 WeakPolarHBondContact CZ2-O 3.35Å |
| 158 | Q | 88 | Confident | 81.2 | Confident | 67 Ų | 67 | 68.9 Ų | 68.9 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | 175.2 | -76.7 | 176.3 | -20.8 | 0 | 0 | 112.4 | R154 S155 E156 R160 I161 G162 V191 | R154-Q158 VanDerWaalsContact O-CG 3.28Å; R154-Q158 WeakPolarHBondContact O-CG 3.36Å; R154-Q158 PolarHBondContact O-N 3.25Å; S155-Q158 CarbonylContact O-C 3.5Å; S155-Q158 WeakPolarHBondContact O-CA 2.81Å; S155-Q158 WeakPolarHBondContact O-CB 3.31Å; S155-Q158 PolarHBondContact O-N 3.47Å; E156-Q158 VanDerWaalsContact C-N 3.32Å; E156-Q158 PolarHBondContact O-N 3.46Å; Q158-R160 VanDerWaalsContact C-N 3.32Å; Q158-R160 PolarHBondContact O-N 2.79Å; Q158-I161 PolarHBondContact O-N 2.83Å; Q158-G162 PolarHBondContact O-N 2.7Å; Q158-V191 HydrophobicContact CB-CG1 3.9Å; Q158-V191 HydrophobicContact CG-CG1 3.88Å |
| 159 | E | 87.8 | Confident | 82 | Confident | 123 Ų | 123 | 66.3 Ų | 66.3 | 58% | 0.575 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.8 | -45 | 173.9 | -71.7 | 173.7 | -168.3 | 0 | 0 | 110.7 | S155 E156 I161 G162 L163 | S155-E159 PolarHBondContact O-N 2.97Å; E156-E159 WeakPolarHBondContact O-CB 3.35Å; E156-E159 PolarHBondContact O-N 2.96Å; E159-I161 PolarHBondContact O-N 3.35Å; E159-G162 PolarHBondContact O-N 2.75Å; E159-G162 VanDerWaalsContact O-N 3.16Å; E159-L163 WeakPolarHBondContact O-CG 3.32Å; E159-L163 PolarHBondContact O-N 3.03Å |
| 160 | R | 84.3 | Confident | 82.5 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 5% | 0.049 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -46.7 | 176.4 | 177.6 | 56.3 | -166.9 | -69.3 | -4.9 | 112.4 | L143 A144 F151 E156 W157 Q158 G162 L163 E164 S202 | L143-R160 PolarHBondContact O-NH1 3.1Å; A144-R160 VanDerWaalsContact CA-NH2 3.35Å; F151-R160 HydrophobicContact CE1-CB 3.99Å; F151-R160 HydrophobicContact CE1-CG 4.44Å; F151-R160 HydrophobicContact CZ-CB 3.99Å; F151-R160 HydrophobicContact CZ-CG 3.99Å; E156-R160 PolarHBondContact O-N 2.93Å; W157-R160 PolarHBondContact O-N 3.46Å; Q158-R160 VanDerWaalsContact C-N 3.32Å; Q158-R160 PolarHBondContact O-N 2.79Å; R160-G162 VanDerWaalsContact C-N 3.27Å; R160-G162 PolarHBondContact O-N 3.03Å; R160-L163 PolarHBondContact O-N 3.18Å; R160-E164 IonicContact NE-OE2 3.99Å; R160-E164 IonicContact NH2-OE2 3.37Å; R160-E164 PolarHBondContact O-N 2.79Å; R160-S202 PolarHBondContact NH2-OG 3.26Å |
| 161 | I | 86.9 | Confident | 82.7 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -41 | 175.3 | -67.7 | 163.2 | 0 | 0 | 0 | 110.7 | W157 Q158 E159 L163 E164 I165 V191 I194 | W157-I161 HydrophobicContact CD2-CD1 4Å; W157-I161 HydrophobicContact CD2-CG1 4.29Å; W157-I161 HydrophobicContact CG-CD1 4.17Å; W157-I161 HydrophobicContact CH2-CG1 4.45Å; W157-I161 HydrophobicContact CZ2-CD1 3.79Å; W157-I161 HydrophobicContact CZ2-CG1 3.98Å; W157-I161 WeakPolarHBondContact O-CG1 3.4Å; W157-I161 PolarHBondContact O-N 3.2Å; Q158-I161 PolarHBondContact O-N 2.83Å; E159-I161 PolarHBondContact O-N 3.35Å; I161-L163 VanDerWaalsContact C-N 3.34Å; I161-L163 PolarHBondContact O-N 3.25Å; I161-E164 WeakPolarHBondContact O-CB 3.48Å; I161-E164 PolarHBondContact O-N 3.08Å; I161-I165 HydrophobicContact CG2-CD1 3.49Å; I161-I165 VanDerWaalsContact CG2-CD1 3.49Å; I161-I165 HydrophobicContact CG2-CG1 4.21Å; I161-I165 WeakPolarHBondContact O-CB 3.36Å; I161-I165 WeakPolarHBondContact O-CD1 3.38Å; I161-I165 VanDerWaalsContact O-CG1 3.3Å; I161-I165 WeakPolarHBondContact O-CG1 3.37Å; I161-I165 PolarHBondContact O-N 3.41Å; I161-V191 HydrophobicContact CG2-CB 4.39Å; I161-V191 HydrophobicContact CG2-CG2 4.16Å; I161-I194 HydrophobicContact CD1-CB 4.29Å; I161-I194 HydrophobicContact CD1-CG2 3.82Å; I161-I194 HydrophobicContact CG1-CG2 4.02Å; I161-I194 HydrophobicContact CG2-CB 4.07Å; I161-I194 HydrophobicContact CG2-CD1 4.24Å; I161-I194 HydrophobicContact CG2-CG2 4.05Å |
| 162 | G | 89.7 | Confident | 82.4 | Confident | 15 Ų | 15 | 65 Ų | 65 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q158 E159 R160 I165 K166 | Q158-G162 PolarHBondContact O-N 2.7Å; E159-G162 PolarHBondContact O-N 2.75Å; E159-G162 VanDerWaalsContact O-N 3.16Å; R160-G162 VanDerWaalsContact C-N 3.27Å; R160-G162 PolarHBondContact O-N 3.03Å; G162-I165 PolarHBondContact O-N 3.46Å; G162-K166 VanDerWaalsContact O-CB 3.26Å; G162-K166 WeakPolarHBondContact O-CB 2.92Å; G162-K166 PolarHBondContact O-N 3.09Å |
| 163 | L | 88 | Confident | 82 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 38% | 0.382 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 173.9 | -70 | 174.3 | 0 | 0 | 0 | 111.7 | L140 E159 R160 I161 I165 K166 L167 | L140-L163 HydrophobicContact CD2-CD1 4.09Å; E159-L163 WeakPolarHBondContact O-CG 3.32Å; E159-L163 PolarHBondContact O-N 3.03Å; R160-L163 PolarHBondContact O-N 3.18Å; I161-L163 VanDerWaalsContact C-N 3.34Å; I161-L163 PolarHBondContact O-N 3.25Å; L163-I165 PolarHBondContact O-N 3.28Å; L163-K166 WeakPolarHBondContact O-CB 3.42Å; L163-K166 PolarHBondContact O-N 3.41Å; L163-L167 WeakPolarHBondContact O-CG 3.3Å; L163-L167 PolarHBondContact O-N 3.49Å |
| 164 | E | 86.6 | Confident | 81 | Confident | 18 Ų | 18 | 65 Ų | 65 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 177.9 | -163.6 | 69.8 | -155.2 | 0 | 0 | 111.6 | R160 I161 K166 L167 V168 T204 T207 | R160-E164 IonicContact NE-OE2 3.99Å; R160-E164 IonicContact NH2-OE2 3.37Å; R160-E164 PolarHBondContact O-N 2.79Å; I161-E164 WeakPolarHBondContact O-CB 3.48Å; I161-E164 PolarHBondContact O-N 3.08Å; E164-K166 VanDerWaalsContact C-N 3.3Å; E164-K166 PolarHBondContact O-N 3.41Å; E164-L167 WeakPolarHBondContact O-CB 3.43Å; E164-L167 PolarHBondContact O-N 3.16Å; E164-V168 WeakPolarHBondContact O-CG2 3.38Å; E164-V168 PolarHBondContact O-N 3.14Å; E164-T204 VanDerWaalsContact OE1-CB 3.31Å; E164-T204 WeakPolarHBondContact OE1-CB 3.35Å; E164-T204 WeakPolarHBondContact OE1-CG2 3.42Å; E164-T204 PolarHBondContact OE1-OG1 2.85Å; E164-T207 HydrophobicContact CB-CG2 4.34Å; E164-T207 HydrophobicContact CG-CG2 3.95Å |
| 165 | I | 89.8 | Confident | 80 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 176.9 | -70.2 | 161.9 | 0 | 0 | 0 | 110.6 | I161 G162 L163 L167 V168 L169 A190 V191 I194 T207 V211 | I161-I165 HydrophobicContact CG2-CD1 3.49Å; I161-I165 VanDerWaalsContact CG2-CD1 3.49Å; I161-I165 HydrophobicContact CG2-CG1 4.21Å; I161-I165 WeakPolarHBondContact O-CB 3.36Å; I161-I165 WeakPolarHBondContact O-CD1 3.38Å; I161-I165 VanDerWaalsContact O-CG1 3.3Å; I161-I165 WeakPolarHBondContact O-CG1 3.37Å; I161-I165 PolarHBondContact O-N 3.41Å; G162-I165 PolarHBondContact O-N 3.46Å; L163-I165 PolarHBondContact O-N 3.28Å; I165-L167 VanDerWaalsContact C-N 3.31Å; I165-L167 PolarHBondContact O-N 2.9Å; I165-V168 PolarHBondContact O-N 3.28Å; I165-L169 HydrophobicContact CG2-CD1 3.67Å; I165-L169 HydrophobicContact CG2-CG 4.25Å; I165-L169 WeakPolarHBondContact O-CB 3.5Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.14Å; I165-L169 PolarHBondContact O-N 2.91Å; I165-A190 HydrophobicContact CD1-CB 3.57Å; I165-A190 HydrophobicContact CG1-CB 4.25Å; I165-V191 HydrophobicContact CD1-CB 4.3Å; I165-V191 HydrophobicContact CD1-CG2 3.5Å; I165-V191 VanDerWaalsContact CD1-CG2 3.5Å; I165-I194 HydrophobicContact CD1-CD1 4.32Å; I165-T207 HydrophobicContact CG1-CG2 3.61Å; I165-V211 HydrophobicContact CB-CG2 4.44Å; I165-V211 HydrophobicContact CG1-CG2 4.14Å; I165-V211 HydrophobicContact CG2-CG2 3.93Å |
| 166 | K | 88.4 | Confident | 78.8 | Confident | 117 Ų | 117 | 71.4 Ų | 71.4 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 176.8 | -173.5 | 174.1 | -176.8 | -178.4 | 0 | 111.3 | G162 L163 E164 L169 K170 M187 | G162-K166 VanDerWaalsContact O-CB 3.26Å; G162-K166 WeakPolarHBondContact O-CB 2.92Å; G162-K166 PolarHBondContact O-N 3.09Å; L163-K166 WeakPolarHBondContact O-CB 3.42Å; L163-K166 PolarHBondContact O-N 3.41Å; E164-K166 VanDerWaalsContact C-N 3.3Å; E164-K166 PolarHBondContact O-N 3.41Å; K166-L169 PolarHBondContact O-N 3.33Å; K166-K170 WeakPolarHBondContact O-CB 3.4Å; K166-K170 PolarHBondContact O-N 3.03Å; K166-M187 HydrophobicContact CB-CE 4.05Å; K166-M187 HydrophobicContact CG-CE 4.47Å |
| 167 | L | 85.9 | Confident | 78.1 | Confident | 88 Ų | 88 | 76.5 Ų | 76.5 | 46% | 0.461 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 175.1 | -71.4 | 174.6 | 0 | 0 | 0 | 112.1 | L163 E164 I165 L169 K170 P171 | L163-L167 WeakPolarHBondContact O-CG 3.3Å; L163-L167 PolarHBondContact O-N 3.49Å; E164-L167 WeakPolarHBondContact O-CB 3.43Å; E164-L167 PolarHBondContact O-N 3.16Å; I165-L167 VanDerWaalsContact C-N 3.31Å; I165-L167 PolarHBondContact O-N 2.9Å; L167-L169 VanDerWaalsContact C-N 3.34Å; L167-K170 WeakPolarHBondContact O-CB 3.42Å; L167-K170 PolarHBondContact O-N 3.48Å; L167-P171 WeakPolarHBondContact O-CD 2.99Å |
| 168 | V | 83.7 | Confident | 77.7 | Confident | 26 Ų | 26 | 78 Ų | 78 | 16% | 0.158 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 175.3 | 171.4 | 0 | 0 | 0 | 0 | 112 | E164 I165 P171 T207 V211 | E164-V168 WeakPolarHBondContact O-CG2 3.38Å; E164-V168 PolarHBondContact O-N 3.14Å; I165-V168 PolarHBondContact O-N 3.28Å; V168-P171 VanDerWaalsContact O-CD 3.29Å; V168-P171 WeakPolarHBondContact O-CD 3.5Å; V168-P171 WeakPolarHBondContact O-CG 3.38Å; V168-T207 HydrophobicContact CG2-CG2 4.46Å; V168-V211 HydrophobicContact CG1-CB 3.84Å; V168-V211 HydrophobicContact CG1-CG1 3.82Å; V168-V211 HydrophobicContact CG1-CG2 4.23Å |
| 169 | L | 84.4 | Confident | 77.5 | Confident | 2 Ų | 2 | 78.7 Ų | 78.7 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -76.1 | -24.1 | 177.3 | -73.5 | 171 | 0 | 0 | 0 | 112.7 | I165 K166 L167 A172 R173 I178 Y183 M187 V211 I215 | I165-L169 HydrophobicContact CG2-CD1 3.67Å; I165-L169 HydrophobicContact CG2-CG 4.25Å; I165-L169 WeakPolarHBondContact O-CB 3.5Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.14Å; I165-L169 PolarHBondContact O-N 2.91Å; K166-L169 PolarHBondContact O-N 3.33Å; L167-L169 VanDerWaalsContact C-N 3.34Å; L169-A172 CarbonylContact O-C 3.56Å; L169-A172 VanDerWaalsContact O-CA 3.31Å; L169-A172 WeakPolarHBondContact O-CA 3.32Å; L169-A172 VanDerWaalsContact O-CB 3.3Å; L169-A172 WeakPolarHBondContact O-CB 3.33Å; L169-A172 PolarHBondContact O-N 3.33Å; L169-R173 PolarHBondContact O-N 3.07Å; L169-R173 VanDerWaalsContact O-N 3.13Å; L169-I178 HydrophobicContact CD2-CD1 3.88Å; L169-Y183 HydrophobicContact CB-CD2 4.38Å; L169-Y183 HydrophobicContact CB-CE2 3.81Å; L169-Y183 HydrophobicContact CD1-CD2 3.81Å; L169-Y183 HydrophobicContact CD1-CE2 3.56Å; L169-Y183 HydrophobicContact CG-CE2 4.24Å; L169-M187 HydrophobicContact CD1-CE 4.4Å; L169-V211 HydrophobicContact CD2-CG1 3.45Å; L169-V211 VanDerWaalsContact CD2-CG1 3.45Å; L169-V211 HydrophobicContact CG-CG1 3.85Å; L169-I215 HydrophobicContact CD2-CD1 4.11Å |
| 170 | K | 79.3 | Confident | 77.4 | Confident | 144 Ų | 144 | 77.3 Ų | 77.3 | 63% | 0.626 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -55.2 | -50.4 | 179.9 | -167.8 | 177.2 | -179.8 | -178.5 | 0 | 113.6 | K166 L167 A172 R173 | K166-K170 WeakPolarHBondContact O-CB 3.4Å; K166-K170 PolarHBondContact O-N 3.03Å; L167-K170 WeakPolarHBondContact O-CB 3.42Å; L167-K170 PolarHBondContact O-N 3.48Å; K170-A172 PolarHBondContact O-N 3.29Å; K170-R173 VanDerWaalsContact O-CB 3.28Å; K170-R173 WeakPolarHBondContact O-CB 3.4Å; K170-R173 PolarHBondContact O-N 3.4Å; K170-R173 VanDerWaalsContact O-N 3.08Å |
| 171 | P | 73.5 | Confident | 77.6 | Confident | 110 Ų | 110 | 82.9 Ų | 82.9 | 71% | 0.714 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -67.3 | -16.7 | 174.3 | 28 | -35.7 | 0 | 0 | 0 | 112.9 | L167 V168 | L167-P171 WeakPolarHBondContact O-CD 2.99Å; V168-P171 VanDerWaalsContact O-CD 3.29Å; V168-P171 WeakPolarHBondContact O-CD 3.5Å; V168-P171 WeakPolarHBondContact O-CG 3.38Å |
| 172 | A | 60.8 | Low | 77.7 | Confident | 19 Ų | 19 | 83.3 Ų | 83.3 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -84.7 | -6.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L169 K170 S174 I178 I215 | L169-A172 CarbonylContact O-C 3.56Å; L169-A172 VanDerWaalsContact O-CA 3.31Å; L169-A172 WeakPolarHBondContact O-CA 3.32Å; L169-A172 VanDerWaalsContact O-CB 3.3Å; L169-A172 WeakPolarHBondContact O-CB 3.33Å; L169-A172 PolarHBondContact O-N 3.33Å; K170-A172 PolarHBondContact O-N 3.29Å; A172-S174 PolarHBondContact O-N 3.03Å; A172-I178 HydrophobicContact CB-CD1 4.05Å; A172-I215 HydrophobicContact CB-CD1 4.36Å |
| 173 | R | 56.4 | Low | 77.6 | Confident | 184 Ų | 184 | 84.5 Ų | 84.5 | 69% | 0.694 | 41% | 0.405 | S | S | * | . | trans | -75.7 | 29.2 | 179.7 | -155.2 | -173.1 | 177 | 119.9 | 0.3 | 113.5 | L169 K170 | L169-R173 PolarHBondContact O-N 3.07Å; L169-R173 VanDerWaalsContact O-N 3.13Å; K170-R173 VanDerWaalsContact O-CB 3.28Å; K170-R173 WeakPolarHBondContact O-CB 3.4Å; K170-R173 PolarHBondContact O-N 3.4Å; K170-R173 VanDerWaalsContact O-N 3.08Å | ||
| 174 | S | 58.6 | Low | 77.8 | Confident | 62 Ų | 62 | 87 Ų | 87 | 43% | 0.434 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -70.2 | 130.4 | 155.3 | -179.4 | 0 | 0 | 0 | 0 | 106.6 | A172 R176 R177 | A172-S174 PolarHBondContact O-N 3.03Å; S174-R176 PolarHBondContact O-N 2.9Å; S174-R177 PolarHBondContact O-N 2.91Å |
| 175 | P | 58.8 | Low | 78 | Confident | 130 Ų | 130 | 89 Ų | 89 | 84% | 0.844 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 8.2 | -173.4 | 24.6 | -34.9 | 0 | 0 | 0 | 114.9 | ||
| 176 | R | 59.9 | Low | 78.1 | Confident | 228 Ų | 228 | 89 Ų | 89 | 86% | 0.86 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 4.6 | -173 | -61.1 | -167.3 | 177.9 | -149.7 | 1 | 114.8 | S174 | S174-R176 PolarHBondContact O-N 2.9Š|
| 177 | R | 67.2 | Low | 78.2 | Confident | 176 Ų | 176 | 85.6 Ų | 85.6 | 66% | 0.664 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -126.3 | -29.3 | -170.5 | -63.9 | -173.6 | -177.7 | -103.2 | 1.1 | 116.9 | S174 | S174-R177 PolarHBondContact O-N 2.91Š|
| 178 | I | 74.6 | Confident | 78.5 | Confident | 38 Ų | 38 | 88.9 Ų | 88.9 | 20% | 0.195 | 42% | 0.421 | C | S | . | . | trans | -147.2 | 130.1 | -172.1 | -50 | 169.1 | 0 | 0 | 0 | 108.8 | L169 A172 D182 I186 I215 | L169-I178 HydrophobicContact CD2-CD1 3.88Å; A172-I178 HydrophobicContact CB-CD1 4.05Å; I178-D182 HydrophobicContact CG2-CB 3.63Å; I178-I186 HydrophobicContact CG2-CD1 4.04Å; I178-I215 HydrophobicContact CD1-CD1 3.62Å; I178-I215 HydrophobicContact CD1-CG1 3.54Å; I178-I215 HydrophobicContact CD1-CG2 4.26Å; I178-I215 HydrophobicContact CG1-CG1 4.16Å; I178-I215 HydrophobicContact CG1-CG2 4.07Å | ||
| 179 | N | 83.2 | Confident | 78.9 | Confident | 82 Ų | 82 | 91.3 Ų | 91.3 | 44% | 0.439 | 43% | 0.429 | S | S | . | . | trans | -74.5 | 160.4 | 173.1 | -59.1 | -58.5 | 0 | 0 | 0 | 111.1 | E181 D182 Y183 H222 | N179-E181 PolarHBondContact O-N 2.73Å; N179-D182 HydrophobicContact CB-CB 4.46Å; N179-D182 WeakPolarHBondContact CB-OD2 3.28Å; N179-D182 PolarHBondContact N-OD2 3.43Å; N179-D182 PolarHBondContact ND2-OD2 3.49Å; N179-D182 PolarHBondContact O-N 2.97Å; N179-Y183 WeakPolarHBondContact O-CB 3.42Å; N179-Y183 PolarHBondContact O-N 3.49Å; N179-H222 PolarHBondContact ND2-NE2 2.89Å | ||
| 180 | E | 85.2 | Confident | 79.2 | Confident | 94 Ų | 94 | 91.2 Ų | 91.2 | 44% | 0.439 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 178.9 | -177.5 | 60.3 | -160.2 | 0 | 0 | 111.8 | Y183 K184 | E180-Y183 WeakPolarHBondContact O-CB 3.47Å; E180-Y183 PolarHBondContact O-N 2.93Å; E180-K184 PolarHBondContact O-N 3.13Å; E180-K184 VanDerWaalsContact OE1-CE 3.28Å; E180-K184 WeakPolarHBondContact OE1-CE 3.47Å; E180-K184 IonicContact OE1-NZ 3.83Å |
| 181 | E | 87.8 | Confident | 79.7 | Confident | 130 Ų | 130 | 85.3 Ų | 85.3 | 61% | 0.607 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.7 | -48.4 | 175.4 | -65.6 | 64.1 | -133.2 | 0 | 0 | 110.5 | N179 Y183 K184 D185 | N179-E181 PolarHBondContact O-N 2.73Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 3.08Å; E181-K184 PolarHBondContact O-N 3.41Å; E181-D185 WeakPolarHBondContact O-CB 3.23Å; E181-D185 PolarHBondContact O-N 3.3Å |
| 182 | D | 89.3 | Confident | 80.4 | Confident | 14 Ų | 14 | 82.3 Ų | 82.3 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.3 | -38 | 178.1 | -59.7 | -37.4 | 0 | 0 | 0 | 110.7 | I178 N179 K184 D185 I186 Y218 H222 | I178-D182 HydrophobicContact CG2-CB 3.63Å; N179-D182 HydrophobicContact CB-CB 4.46Å; N179-D182 WeakPolarHBondContact CB-OD2 3.28Å; N179-D182 PolarHBondContact N-OD2 3.43Å; N179-D182 PolarHBondContact ND2-OD2 3.49Å; N179-D182 PolarHBondContact O-N 2.97Å; D182-K184 PolarHBondContact O-N 3.13Å; D182-D185 PolarHBondContact O-N 2.97Å; D182-I186 HydrophobicContact CB-CD1 4.44Å; D182-I186 VanDerWaalsContact O-CB 3.28Å; D182-I186 WeakPolarHBondContact O-CB 3.43Å; D182-I186 WeakPolarHBondContact O-CD1 3.39Å; D182-I186 WeakPolarHBondContact O-CG1 3.33Å; D182-I186 PolarHBondContact O-N 3.01Å; D182-Y218 HydrophobicContact CB-CD1 4.07Å; D182-Y218 HydrophobicContact CB-CE1 4.47Å; D182-Y218 HydrophobicContact CB-CG 4.3Å; D182-Y218 WeakPolarHBondContact OD1-CD1 3.28Å; D182-Y218 WeakPolarHBondContact OD1-CE1 3.41Å; D182-H222 IonicContact OD1-CE1 2.71Å; D182-H222 IonicContact OD1-NE2 3.06Å; D182-H222 PolarHBondContact OD1-NE2 2.66Å; D182-H222 IonicContact OD2-CD2 3.01Å; D182-H222 PolarHBondContact OD2-CD2 3.49Å; D182-H222 IonicContact OD2-CE1 2.73Å; D182-H222 IonicContact OD2-NE2 2.91Å; D182-H222 PolarHBondContact OD2-NE2 3.4Å |
| 183 | Y | 89.2 | Confident | 81.8 | Confident | 40 Ų | 40 | 85.3 Ų | 85.3 | 16% | 0.157 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58 | -50.6 | 177.7 | 174.9 | -87.8 | 0 | 0 | 0 | 111.5 | L169 N179 E180 E181 D185 I186 M187 | L169-Y183 HydrophobicContact CB-CD2 4.38Å; L169-Y183 HydrophobicContact CB-CE2 3.81Å; L169-Y183 HydrophobicContact CD1-CD2 3.81Å; L169-Y183 HydrophobicContact CD1-CE2 3.56Å; L169-Y183 HydrophobicContact CG-CE2 4.24Å; N179-Y183 WeakPolarHBondContact O-CB 3.42Å; N179-Y183 PolarHBondContact O-N 3.49Å; E180-Y183 WeakPolarHBondContact O-CB 3.47Å; E180-Y183 PolarHBondContact O-N 2.93Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 3.08Å; Y183-D185 VanDerWaalsContact C-N 3.31Å; Y183-D185 PolarHBondContact O-N 2.71Å; Y183-I186 PolarHBondContact O-N 3.39Å; Y183-M187 HydrophobicContact CE1-CE 3.79Å; Y183-M187 WeakPolarHBondContact O-CB 3.45Å; Y183-M187 PolarHBondContact O-N 3.37Å; Y183-M187 VanDerWaalsContact OH-CE 3.27Å; Y183-M187 WeakPolarHBondContact OH-CE 3.17Å |
| 184 | K | 90.7 | Very high | 83.2 | Confident | 126 Ų | 126 | 77.2 Ų | 77.2 | 55% | 0.548 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 177.4 | -68.7 | 172.8 | -177.3 | 170.2 | 0 | 111.4 | E180 E181 D182 M187 K188 | E180-K184 PolarHBondContact O-N 3.13Å; E180-K184 VanDerWaalsContact OE1-CE 3.28Å; E180-K184 WeakPolarHBondContact OE1-CE 3.47Å; E180-K184 IonicContact OE1-NZ 3.83Å; E181-K184 PolarHBondContact O-N 3.41Å; D182-K184 PolarHBondContact O-N 3.13Å; K184-M187 PolarHBondContact O-N 2.84Å; K184-K188 WeakPolarHBondContact O-CB 3.05Å; K184-K188 PolarHBondContact O-N 2.85Å |
| 185 | D | 92.2 | Very high | 84.4 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 32% | 0.316 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.9 | -41.4 | -177.3 | -126.8 | 25.1 | 0 | 0 | 0 | 112.5 | E181 D182 Y183 K189 Y218 | E181-D185 WeakPolarHBondContact O-CB 3.23Å; E181-D185 PolarHBondContact O-N 3.3Å; D182-D185 PolarHBondContact O-N 2.97Å; Y183-D185 VanDerWaalsContact C-N 3.31Å; Y183-D185 PolarHBondContact O-N 2.71Å; D185-K189 VanDerWaalsContact O-CB 3.31Å; D185-K189 WeakPolarHBondContact O-CB 3.43Å; D185-K189 VanDerWaalsContact O-CG 3.26Å; D185-K189 WeakPolarHBondContact O-CG 3.26Å; D185-K189 PolarHBondContact O-N 2.99Å; D185-K189 IonicContact OD2-NZ 3.77Å; D185-K189 PolarHBondContact OD2-NZ 3.44Å; D185-Y218 WeakPolarHBondContact CB-OH 3.19Å; D185-Y218 PolarHBondContact OD2-OH 2.92Å |
| 186 | I | 91.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.3 | -47 | 173.3 | -67.8 | 170.6 | 0 | 0 | 0 | 109.4 | I178 D182 Y183 K189 A190 V211 Y214 I215 Y218 | I178-I186 HydrophobicContact CG2-CD1 4.04Å; D182-I186 HydrophobicContact CB-CD1 4.44Å; D182-I186 VanDerWaalsContact O-CB 3.28Å; D182-I186 WeakPolarHBondContact O-CB 3.43Å; D182-I186 WeakPolarHBondContact O-CD1 3.39Å; D182-I186 WeakPolarHBondContact O-CG1 3.33Å; D182-I186 PolarHBondContact O-N 3.01Å; Y183-I186 PolarHBondContact O-N 3.39Å; I186-K189 PolarHBondContact O-N 2.76Å; I186-A190 WeakPolarHBondContact O-CB 3.31Å; I186-A190 PolarHBondContact O-N 2.62Å; I186-V211 HydrophobicContact CG2-CG1 4.34Å; I186-Y214 HydrophobicContact CG1-CD1 4.36Å; I186-I215 HydrophobicContact CD1-CG1 4.05Å; I186-Y218 HydrophobicContact CD1-CD2 4.03Å; I186-Y218 HydrophobicContact CG1-CD2 3.79Å; I186-Y218 HydrophobicContact CG1-CE2 3.79Å |
| 187 | M | 91.1 | Very high | 86.8 | Confident | 46 Ų | 46 | 67.9 Ų | 67.9 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.1 | -52.9 | 177.9 | -175.5 | 170.3 | -74.9 | 0 | 0 | 111.2 | K166 L169 Y183 K184 K189 A190 V191 | K166-M187 HydrophobicContact CB-CE 4.05Å; K166-M187 HydrophobicContact CG-CE 4.47Å; L169-M187 HydrophobicContact CD1-CE 4.4Å; Y183-M187 HydrophobicContact CE1-CE 3.79Å; Y183-M187 WeakPolarHBondContact O-CB 3.45Å; Y183-M187 PolarHBondContact O-N 3.37Å; Y183-M187 VanDerWaalsContact OH-CE 3.27Å; Y183-M187 WeakPolarHBondContact OH-CE 3.17Å; K184-M187 PolarHBondContact O-N 2.84Å; M187-K189 PolarHBondContact O-N 2.83Å; M187-A190 PolarHBondContact O-N 3.43Å; M187-V191 HydrophobicContact CG-CG2 4.33Å; M187-V191 WeakPolarHBondContact O-CB 3.36Å; M187-V191 WeakPolarHBondContact O-CG2 3.06Å; M187-V191 PolarHBondContact O-N 3.34Å |
| 188 | K | 92.2 | Very high | 86.9 | Confident | 156 Ų | 156 | 61.7 Ų | 61.7 | 68% | 0.678 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -58.2 | -47.3 | 179.2 | -175.2 | 176.1 | -179 | 176.9 | 0 | 112.4 | K184 S192 | K184-K188 WeakPolarHBondContact O-CB 3.05Å; K184-K188 PolarHBondContact O-N 2.85Å; K188-S192 VanDerWaalsContact O-CB 3.28Å; K188-S192 WeakPolarHBondContact O-CB 3.28Å; K188-S192 PolarHBondContact O-N 3.47Å; K188-S192 VanDerWaalsContact O-N 3.07Å |
| 189 | K | 91.8 | Very high | 86.6 | Confident | 77 Ų | 77 | 61.6 Ų | 61.6 | 34% | 0.335 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70 | -38.4 | -177.6 | -70.7 | 172.8 | -171.4 | 165.2 | 0 | 112.2 | D185 I186 M187 K193 Y214 Y218 | D185-K189 VanDerWaalsContact O-CB 3.31Å; D185-K189 WeakPolarHBondContact O-CB 3.43Å; D185-K189 VanDerWaalsContact O-CG 3.26Å; D185-K189 WeakPolarHBondContact O-CG 3.26Å; D185-K189 PolarHBondContact O-N 2.99Å; D185-K189 IonicContact OD2-NZ 3.77Å; D185-K189 PolarHBondContact OD2-NZ 3.44Å; I186-K189 PolarHBondContact O-N 2.76Å; M187-K189 PolarHBondContact O-N 2.83Å; K189-K193 WeakPolarHBondContact O-CB 3.37Å; K189-K193 PolarHBondContact O-N 3.37Å; K189-Y214 HydrophobicContact CB-CD1 4.35Å; K189-Y214 HydrophobicContact CB-CE1 3.5Å; K189-Y214 HydrophobicContact CD-CE1 3.74Å; K189-Y214 HydrophobicContact CG-CE1 4.2Å; K189-Y218 PolarHBondContact NZ-OH 2.82Å |
| 190 | A | 90.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.4 | -47.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I165 I186 M187 S192 K193 I194 Y210 V211 | I165-A190 HydrophobicContact CD1-CB 3.57Å; I165-A190 HydrophobicContact CG1-CB 4.25Å; I186-A190 WeakPolarHBondContact O-CB 3.31Å; I186-A190 PolarHBondContact O-N 2.62Å; M187-A190 PolarHBondContact O-N 3.43Å; A190-S192 VanDerWaalsContact C-N 3.3Å; A190-S192 PolarHBondContact O-N 3.14Å; A190-K193 PolarHBondContact O-N 3.33Å; A190-I194 WeakPolarHBondContact O-CB 3.45Å; A190-I194 VanDerWaalsContact O-CG1 3.3Å; A190-I194 WeakPolarHBondContact O-CG1 3.4Å; A190-I194 PolarHBondContact O-N 3.33Å; A190-Y210 VanDerWaalsContact CA-CE1 3.43Å; A190-Y210 HydrophobicContact CB-CD1 3.6Å; A190-Y210 HydrophobicContact CB-CE1 3.69Å; A190-V211 HydrophobicContact CB-CG2 4.49Å |
| 191 | V | 89.9 | Confident | 84.5 | Confident | 21 Ų | 21 | 60.2 Ų | 60.2 | 13% | 0.127 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.5 | -48.9 | 174.4 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | Q158 I161 I165 M187 K193 S195 | Q158-V191 HydrophobicContact CB-CG1 3.9Å; Q158-V191 HydrophobicContact CG-CG1 3.88Å; I161-V191 HydrophobicContact CG2-CB 4.39Å; I161-V191 HydrophobicContact CG2-CG2 4.16Å; I165-V191 HydrophobicContact CD1-CB 4.3Å; I165-V191 HydrophobicContact CD1-CG2 3.5Å; I165-V191 VanDerWaalsContact CD1-CG2 3.5Å; M187-V191 HydrophobicContact CG-CG2 4.33Å; M187-V191 WeakPolarHBondContact O-CB 3.36Å; M187-V191 WeakPolarHBondContact O-CG2 3.06Å; M187-V191 PolarHBondContact O-N 3.34Å; V191-K193 PolarHBondContact O-N 2.95Å; V191-S195 WeakPolarHBondContact O-CB 3.13Å; V191-S195 PolarHBondContact O-N 3.14Å |
| 192 | S | 89.1 | Confident | 83.5 | Confident | 47 Ų | 47 | 54.7 Ų | 54.7 | 33% | 0.329 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 179.9 | 177.7 | 0 | 0 | 0 | 0 | 113 | K188 A190 R196 | K188-S192 VanDerWaalsContact O-CB 3.28Å; K188-S192 WeakPolarHBondContact O-CB 3.28Å; K188-S192 PolarHBondContact O-N 3.47Å; K188-S192 VanDerWaalsContact O-N 3.07Å; A190-S192 VanDerWaalsContact C-N 3.3Å; A190-S192 PolarHBondContact O-N 3.14Å; S192-R196 WeakPolarHBondContact O-CB 3.48Å; S192-R196 WeakPolarHBondContact O-CG 3.24Å; S192-R196 PolarHBondContact O-N 2.91Å; S192-R196 VanDerWaalsContact O-N 3.13Å; S192-R196 PolarHBondContact O-NE 2.96Å; S192-R196 PolarHBondContact OG-NE 3.49Å |
| 193 | K | 88.6 | Confident | 82.6 | Confident | 81 Ų | 81 | 56.8 Ų | 56.8 | 35% | 0.352 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.5 | -44.6 | -177.2 | -167.6 | 84 | 170.4 | 178.9 | 0 | 111.9 | K189 A190 V191 S195 R196 S197 Y210 | K189-K193 WeakPolarHBondContact O-CB 3.37Å; K189-K193 PolarHBondContact O-N 3.37Å; A190-K193 PolarHBondContact O-N 3.33Å; V191-K193 PolarHBondContact O-N 2.95Å; K193-S195 VanDerWaalsContact C-N 3.34Å; K193-R196 PolarHBondContact O-N 3Å; K193-S197 WeakPolarHBondContact O-CB 3.29Å; K193-S197 PolarHBondContact O-N 2.72Å; K193-S197 PolarHBondContact O-OG 2.86Å; K193-Y210 HydrophobicContact CB-CE1 4.18Å; K193-Y210 HydrophobicContact CB-CE2 4.04Å; K193-Y210 VanDerWaalsContact CB-CZ 3.49Å; K193-Y210 WeakPolarHBondContact CB-OH 3.42Å; K193-Y210 HydrophobicContact CG-CE2 3.67Å; K193-Y210 WeakPolarHBondContact CG-OH 3.06Å |
| 194 | I | 86.6 | Confident | 82.2 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.5 | -36.2 | 179.9 | -62.3 | 169.5 | 0 | 0 | 0 | 110.7 | R148 I161 I165 A190 R196 S197 T207 | R148-I194 PolarHBondContact NH2-O 3.43Å; I161-I194 HydrophobicContact CD1-CB 4.29Å; I161-I194 HydrophobicContact CD1-CG2 3.82Å; I161-I194 HydrophobicContact CG1-CG2 4.02Å; I161-I194 HydrophobicContact CG2-CB 4.07Å; I161-I194 HydrophobicContact CG2-CD1 4.24Å; I161-I194 HydrophobicContact CG2-CG2 4.05Å; I165-I194 HydrophobicContact CD1-CD1 4.32Å; A190-I194 WeakPolarHBondContact O-CB 3.45Å; A190-I194 VanDerWaalsContact O-CG1 3.3Å; A190-I194 WeakPolarHBondContact O-CG1 3.4Å; A190-I194 PolarHBondContact O-N 3.33Å; I194-R196 PolarHBondContact O-N 3.41Å; I194-S197 WeakPolarHBondContact CA-OG 3.31Å; I194-S197 PolarHBondContact O-N 3.39Å; I194-S197 PolarHBondContact O-OG 3.05Å; I194-T207 HydrophobicContact CD1-CG2 3.94Å |
| 195 | S | 84.4 | Confident | 81.7 | Confident | 5 Ų | 5 | 59 Ų | 59 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.6 | -47.4 | 172.3 | 178 | 0 | 0 | 0 | 0 | 110.8 | R148 V191 K193 | R148-S195 PolarHBondContact NH1-O 3.45Å; R148-S195 PolarHBondContact NH2-O 2.99Å; V191-S195 WeakPolarHBondContact O-CB 3.13Å; V191-S195 PolarHBondContact O-N 3.14Å; K193-S195 VanDerWaalsContact C-N 3.34Å |
| 196 | R | 85.5 | Confident | 81.2 | Confident | 152 Ų | 152 | 60.1 Ų | 60.1 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -73 | -23.8 | 179.6 | -72.5 | -175.6 | -67.5 | 141 | -8.7 | 114.6 | S192 K193 I194 G198 | S192-R196 WeakPolarHBondContact O-CB 3.48Å; S192-R196 WeakPolarHBondContact O-CG 3.24Å; S192-R196 PolarHBondContact O-N 2.91Å; S192-R196 VanDerWaalsContact O-N 3.13Å; S192-R196 PolarHBondContact O-NE 2.96Å; S192-R196 PolarHBondContact OG-NE 3.49Å; K193-R196 PolarHBondContact O-N 3Å; I194-R196 PolarHBondContact O-N 3.41Å; R196-G198 PolarHBondContact O-N 3.33Å |
| 197 | S | 82.3 | Confident | 80.9 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 46% | 0.462 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 7 | -172.4 | 60.5 | 0 | 0 | 0 | 0 | 115.6 | K193 I194 T199 | K193-S197 WeakPolarHBondContact O-CB 3.29Å; K193-S197 PolarHBondContact O-N 2.72Å; K193-S197 PolarHBondContact O-OG 2.86Å; I194-S197 WeakPolarHBondContact CA-OG 3.31Å; I194-S197 PolarHBondContact O-N 3.39Å; I194-S197 PolarHBondContact O-OG 3.05Å; S197-T199 PolarHBondContact O-N 3.43Å |
| 198 | G | 69.9 | Low | 80.7 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 47% | 0.474 | 31% | 0.314 | S | S | . | . | trans | 74.3 | -6.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R148 R196 S200 | R148-G198 VanDerWaalsContact CZ-CA 3.46Å; R148-G198 VanDerWaalsContact NH2-C 3.34Å; R196-G198 PolarHBondContact O-N 3.33Å; G198-S200 PolarHBondContact O-N 3.41Å; G198-S200 VanDerWaalsContact O-N 3.14Å | ||
| 199 | T | 68.3 | Low | 80.4 | Confident | 36 Ų | 36 | 55.2 Ų | 55.2 | 22% | 0.221 | 30% | 0.302 | C | S | . | . | trans | -64.5 | 117.8 | -170.1 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | R148 W157 S197 | R148-T199 PolarHBondContact NE-O 2.98Å; R148-T199 VanDerWaalsContact NH2-N 3.15Å; R148-T199 PolarHBondContact NH2-O 3.49Å; W157-T199 VanDerWaalsContact CZ2-O 3.24Å; W157-T199 WeakPolarHBondContact CZ2-O 3.35Å; S197-T199 PolarHBondContact O-N 3.43Å | ||
| 200 | S | 62.3 | Low | 80.2 | Confident | 56 Ų | 56 | 53 Ų | 53 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -80.4 | -17.2 | -174.3 | 54.6 | 0 | 0 | 0 | 0 | 114 | K147 R148 G198 | K147-S200 CarbonylContact C-O 3.57Å; K147-S200 WeakPolarHBondContact CA-O 3.29Å; R148-S200 PolarHBondContact N-O 2.79Å; G198-S200 PolarHBondContact O-N 3.41Å; G198-S200 VanDerWaalsContact O-N 3.14Å |
| 201 | L | 62.7 | Low | 80.2 | Confident | 91 Ų | 91 | 53 Ų | 53 | 48% | 0.476 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -121.4 | 140.2 | 175 | -174.3 | 62.8 | 0 | 0 | 0 | 108.7 | N203 | L201-N203 PolarHBondContact O-N 3.44Š|
| 202 | S | 66.8 | Low | 80 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | trans | -66.3 | 76.3 | 167 | 55.7 | 0 | 0 | 0 | 0 | 108.5 | R160 T204 | R160-S202 PolarHBondContact NH2-OG 3.26Å; S202-T204 VanDerWaalsContact C-N 3.3Å; S202-T204 PolarHBondContact O-N 3.32Å | ||
| 203 | N | 70.2 | Confident | 80.1 | Confident | 58 Ų | 58 | 62.7 Ų | 62.7 | 31% | 0.31 | 33% | 0.326 | S | S | . | . | trans | -71.1 | 93.7 | 176.4 | -174.9 | -30.8 | 0 | 0 | 0 | 107.1 | L201 E205 K206 T207 | L201-N203 PolarHBondContact O-N 3.44Å; N203-E205 PolarHBondContact O-N 3.44Å; N203-E205 VanDerWaalsContact O-N 3.09Å; N203-E205 VanDerWaalsContact OD1-CB 3.28Å; N203-E205 WeakPolarHBondContact OD1-CB 3.3Å; N203-E205 PolarHBondContact OD1-N 3.04Å; N203-K206 HydrophobicContact CB-CB 4.2Å; N203-K206 HydrophobicContact CB-CD 4.09Å; N203-K206 HydrophobicContact CB-CG 4.09Å; N203-K206 PolarHBondContact O-N 3.44Å; N203-K206 PolarHBondContact OD1-N 2.98Å; N203-T207 PolarHBondContact O-N 3.49Å; N203-T207 PolarHBondContact O-OG1 3.4Å | ||
| 204 | T | 79.8 | Confident | 80.2 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -47.7 | -36.5 | -179.6 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | E164 S202 T207 S208 | E164-T204 VanDerWaalsContact OE1-CB 3.31Å; E164-T204 WeakPolarHBondContact OE1-CB 3.35Å; E164-T204 WeakPolarHBondContact OE1-CG2 3.42Å; E164-T204 PolarHBondContact OE1-OG1 2.85Å; S202-T204 VanDerWaalsContact C-N 3.3Å; S202-T204 PolarHBondContact O-N 3.32Å; T204-T207 PolarHBondContact O-N 3.2Å; T204-S208 VanDerWaalsContact O-CB 3.24Å; T204-S208 WeakPolarHBondContact O-CB 3.35Å; T204-S208 PolarHBondContact O-N 2.87Å; T204-S208 PolarHBondContact O-OG 3.38Å |
| 205 | E | 80.9 | Confident | 80.3 | Confident | 140 Ų | 140 | 61 Ų | 61 | 65% | 0.654 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 178.4 | -167 | -175.6 | -174.4 | 0 | 0 | 112.2 | N203 S208 T209 | N203-E205 PolarHBondContact O-N 3.44Å; N203-E205 VanDerWaalsContact O-N 3.09Å; N203-E205 VanDerWaalsContact OD1-CB 3.28Å; N203-E205 WeakPolarHBondContact OD1-CB 3.3Å; N203-E205 PolarHBondContact OD1-N 3.04Å; E205-S208 PolarHBondContact O-N 3.39Å; E205-S208 PolarHBondContact O-OG 3.47Å; E205-T209 WeakPolarHBondContact O-CB 3.28Å; E205-T209 PolarHBondContact O-N 2.94Å; E205-T209 PolarHBondContact O-OG1 3.29Å |
| 206 | K | 81.7 | Confident | 80.5 | Confident | 82 Ų | 82 | 63.9 Ų | 63.9 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 176.4 | -68.7 | -175.6 | -178.5 | -178.5 | 0 | 111.2 | N203 S208 T209 Y210 | N203-K206 HydrophobicContact CB-CB 4.2Å; N203-K206 HydrophobicContact CB-CD 4.09Å; N203-K206 HydrophobicContact CB-CG 4.09Å; N203-K206 PolarHBondContact O-N 3.44Å; N203-K206 PolarHBondContact OD1-N 2.98Å; K206-S208 VanDerWaalsContact C-N 3.31Å; K206-S208 PolarHBondContact O-N 3.49Å; K206-T209 PolarHBondContact O-N 3.33Å; K206-Y210 WeakPolarHBondContact O-CB 3.31Å; K206-Y210 PolarHBondContact O-N 2.98Å |
| 207 | T | 84.9 | Confident | 80.7 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 110.4 | E164 I165 V168 I194 N203 T204 T209 Y210 V211 | E164-T207 HydrophobicContact CB-CG2 4.34Å; E164-T207 HydrophobicContact CG-CG2 3.95Å; I165-T207 HydrophobicContact CG1-CG2 3.61Å; V168-T207 HydrophobicContact CG2-CG2 4.46Å; I194-T207 HydrophobicContact CD1-CG2 3.94Å; N203-T207 PolarHBondContact O-N 3.49Å; N203-T207 PolarHBondContact O-OG1 3.4Å; T204-T207 PolarHBondContact O-N 3.2Å; T207-T209 PolarHBondContact O-N 3.19Å; T207-Y210 PolarHBondContact O-N 3.47Å; T207-V211 HydrophobicContact CG2-CG2 4.5Å; T207-V211 VanDerWaalsContact O-CG2 3.29Å; T207-V211 WeakPolarHBondContact O-CG2 3.47Å; T207-V211 PolarHBondContact O-N 2.77Å |
| 208 | S | 85.9 | Confident | 81.1 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 16% | 0.161 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 179.8 | 82.1 | 0 | 0 | 0 | 0 | 112.5 | T204 E205 K206 V211 R212 | T204-S208 VanDerWaalsContact O-CB 3.24Å; T204-S208 WeakPolarHBondContact O-CB 3.35Å; T204-S208 PolarHBondContact O-N 2.87Å; T204-S208 PolarHBondContact O-OG 3.38Å; E205-S208 PolarHBondContact O-N 3.39Å; E205-S208 PolarHBondContact O-OG 3.47Å; K206-S208 VanDerWaalsContact C-N 3.31Å; K206-S208 PolarHBondContact O-N 3.49Å; S208-V211 PolarHBondContact O-N 2.9Å; S208-R212 WeakPolarHBondContact O-CB 3.3Å; S208-R212 VanDerWaalsContact O-CG 3.23Å; S208-R212 WeakPolarHBondContact O-CG 3.2Å; S208-R212 PolarHBondContact O-N 3.47Å |
| 209 | T | 87.8 | Confident | 81.9 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 43% | 0.429 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 178.3 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | E205 K206 T207 V211 R212 L213 | E205-T209 WeakPolarHBondContact O-CB 3.28Å; E205-T209 PolarHBondContact O-N 2.94Å; E205-T209 PolarHBondContact O-OG1 3.29Å; K206-T209 PolarHBondContact O-N 3.33Å; T207-T209 PolarHBondContact O-N 3.19Å; T209-V211 PolarHBondContact O-N 3.26Å; T209-R212 PolarHBondContact O-N 3.32Å; T209-L213 HydrophobicContact CG2-CD1 4.28Å; T209-L213 WeakPolarHBondContact O-CG 3.4Å; T209-L213 PolarHBondContact O-N 2.8Å |
| 210 | Y | 86.9 | Confident | 82.8 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60 | -48.9 | 178.6 | -164.8 | -88.7 | 0 | 0 | 0 | 111.7 | M70 A190 K193 K206 T207 R212 L213 Y214 | M70-Y210 HydrophobicContact CE-CE2 4.49Å; A190-Y210 VanDerWaalsContact CA-CE1 3.43Å; A190-Y210 HydrophobicContact CB-CD1 3.6Å; A190-Y210 HydrophobicContact CB-CE1 3.69Å; K193-Y210 HydrophobicContact CB-CE1 4.18Å; K193-Y210 HydrophobicContact CB-CE2 4.04Å; K193-Y210 VanDerWaalsContact CB-CZ 3.49Å; K193-Y210 WeakPolarHBondContact CB-OH 3.42Å; K193-Y210 HydrophobicContact CG-CE2 3.67Å; K193-Y210 WeakPolarHBondContact CG-OH 3.06Å; K206-Y210 WeakPolarHBondContact O-CB 3.31Å; K206-Y210 PolarHBondContact O-N 2.98Å; T207-Y210 PolarHBondContact O-N 3.47Å; Y210-R212 PolarHBondContact O-N 3.04Å; Y210-L213 PolarHBondContact O-N 2.97Å; Y210-Y214 AromaticContact CD1-CD2 3.76Å; Y210-Y214 HydrophobicContact CD1-CD2 3.76Å; Y210-Y214 AromaticContact CD1-CE2 3.82Å; Y210-Y214 HydrophobicContact CD1-CE2 3.82Å; Y210-Y214 AromaticContact CE1-CD2 3.41Å; Y210-Y214 HydrophobicContact CE1-CD2 3.41Å; Y210-Y214 VanDerWaalsContact CE1-CD2 3.41Å; Y210-Y214 AromaticContact CE1-CE2 3.01Å; Y210-Y214 HydrophobicContact CE1-CE2 3.01Å; Y210-Y214 HydrophobicContact CE1-CG 4.41Å; Y210-Y214 AromaticContact CE1-CZ 3.71Å; Y210-Y214 AromaticContact CE2-CE2 3.95Å; Y210-Y214 HydrophobicContact CE2-CE2 3.95Å; Y210-Y214 AromaticContact CZ-CD2 3.94Å; Y210-Y214 AromaticContact CZ-CE2 3.12Å; Y210-Y214 AromaticContact CZ-CZ 3.78Å; Y210-Y214 WeakPolarHBondContact O-CD2 3.37Å; Y210-Y214 PolarHBondContact O-N 3.33Å; Y210-Y214 VanDerWaalsContact O-N 3.14Å; Y210-Y214 WeakPolarHBondContact OH-CE2 3.3Å; Y210-Y214 VanDerWaalsContact OH-CZ 3.32Å; Y210-Y214 PolarHBondContact OH-OH 3.24Å |
| 211 | V | 89.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 178 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | I165 V168 L169 I186 A190 T207 S208 T209 L213 Y214 I215 | I165-V211 HydrophobicContact CB-CG2 4.44Å; I165-V211 HydrophobicContact CG1-CG2 4.14Å; I165-V211 HydrophobicContact CG2-CG2 3.93Å; V168-V211 HydrophobicContact CG1-CB 3.84Å; V168-V211 HydrophobicContact CG1-CG1 3.82Å; V168-V211 HydrophobicContact CG1-CG2 4.23Å; L169-V211 HydrophobicContact CD2-CG1 3.45Å; L169-V211 VanDerWaalsContact CD2-CG1 3.45Å; L169-V211 HydrophobicContact CG-CG1 3.85Å; I186-V211 HydrophobicContact CG2-CG1 4.34Å; A190-V211 HydrophobicContact CB-CG2 4.49Å; T207-V211 HydrophobicContact CG2-CG2 4.5Å; T207-V211 VanDerWaalsContact O-CG2 3.29Å; T207-V211 WeakPolarHBondContact O-CG2 3.47Å; T207-V211 PolarHBondContact O-N 2.77Å; S208-V211 PolarHBondContact O-N 2.9Å; T209-V211 PolarHBondContact O-N 3.26Å; V211-L213 PolarHBondContact O-N 3.34Å; V211-Y214 WeakPolarHBondContact O-CB 3.43Å; V211-Y214 PolarHBondContact O-N 3.08Å; V211-Y214 VanDerWaalsContact O-N 3.14Å; V211-I215 HydrophobicContact CG1-CD1 3.91Å; V211-I215 HydrophobicContact CG1-CG1 4.43Å; V211-I215 WeakPolarHBondContact O-CG1 3.5Å; V211-I215 PolarHBondContact O-N 3.4Å |
| 212 | R | 87.5 | Confident | 85 | Confident | 178 Ų | 178 | 69.4 Ų | 69.4 | 67% | 0.672 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -58.9 | -42.8 | 177.2 | -74.4 | 174.2 | -176.3 | -155.6 | 3.6 | 112.8 | S208 T209 Y210 Y214 I215 E216 | S208-R212 WeakPolarHBondContact O-CB 3.3Å; S208-R212 VanDerWaalsContact O-CG 3.23Å; S208-R212 WeakPolarHBondContact O-CG 3.2Å; S208-R212 PolarHBondContact O-N 3.47Å; T209-R212 PolarHBondContact O-N 3.32Å; Y210-R212 PolarHBondContact O-N 3.04Å; R212-Y214 VanDerWaalsContact C-N 3.29Å; R212-Y214 PolarHBondContact O-N 2.92Å; R212-I215 PolarHBondContact O-N 2.92Å; R212-E216 PolarHBondContact O-N 3.04Å |
| 213 | L | 90.5 | Very high | 85.9 | Confident | 95 Ų | 95 | 75.5 Ų | 75.5 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 176.4 | -72.1 | 171.5 | 0 | 0 | 0 | 112.1 | T209 Y210 V211 E216 K217 | T209-L213 HydrophobicContact CG2-CD1 4.28Å; T209-L213 WeakPolarHBondContact O-CG 3.4Å; T209-L213 PolarHBondContact O-N 2.8Å; Y210-L213 PolarHBondContact O-N 2.97Å; V211-L213 PolarHBondContact O-N 3.34Å; L213-E216 PolarHBondContact O-N 3.13Å; L213-K217 WeakPolarHBondContact O-CB 3.27Å; L213-K217 PolarHBondContact O-N 3.13Å |
| 214 | Y | 90.4 | Very high | 86.5 | Confident | 30 Ų | 30 | 78.4 Ų | 78.4 | 12% | 0.118 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 175.6 | -94.3 | -99.2 | 0 | 0 | 0 | 111.7 | I186 K189 Y210 V211 R212 E216 K217 Y218 | I186-Y214 HydrophobicContact CG1-CD1 4.36Å; K189-Y214 HydrophobicContact CB-CD1 4.35Å; K189-Y214 HydrophobicContact CB-CE1 3.5Å; K189-Y214 HydrophobicContact CD-CE1 3.74Å; K189-Y214 HydrophobicContact CG-CE1 4.2Å; Y210-Y214 AromaticContact CD1-CD2 3.76Å; Y210-Y214 HydrophobicContact CD1-CD2 3.76Å; Y210-Y214 AromaticContact CD1-CE2 3.82Å; Y210-Y214 HydrophobicContact CD1-CE2 3.82Å; Y210-Y214 AromaticContact CE1-CD2 3.41Å; Y210-Y214 HydrophobicContact CE1-CD2 3.41Å; Y210-Y214 VanDerWaalsContact CE1-CD2 3.41Å; Y210-Y214 AromaticContact CE1-CE2 3.01Å; Y210-Y214 HydrophobicContact CE1-CE2 3.01Å; Y210-Y214 HydrophobicContact CE1-CG 4.41Å; Y210-Y214 AromaticContact CE1-CZ 3.71Å; Y210-Y214 AromaticContact CE2-CE2 3.95Å; Y210-Y214 HydrophobicContact CE2-CE2 3.95Å; Y210-Y214 AromaticContact CZ-CD2 3.94Å; Y210-Y214 AromaticContact CZ-CE2 3.12Å; Y210-Y214 AromaticContact CZ-CZ 3.78Å; Y210-Y214 WeakPolarHBondContact O-CD2 3.37Å; Y210-Y214 PolarHBondContact O-N 3.33Å; Y210-Y214 VanDerWaalsContact O-N 3.14Å; Y210-Y214 WeakPolarHBondContact OH-CE2 3.3Å; Y210-Y214 VanDerWaalsContact OH-CZ 3.32Å; Y210-Y214 PolarHBondContact OH-OH 3.24Å; V211-Y214 WeakPolarHBondContact O-CB 3.43Å; V211-Y214 PolarHBondContact O-N 3.08Å; V211-Y214 VanDerWaalsContact O-N 3.14Å; R212-Y214 VanDerWaalsContact C-N 3.29Å; R212-Y214 PolarHBondContact O-N 2.92Å; Y214-E216 VanDerWaalsContact C-N 3.28Å; Y214-E216 PolarHBondContact O-N 2.92Å; Y214-K217 WeakPolarHBondContact O-CB 3.28Å; Y214-K217 PolarHBondContact O-N 2.91Å; Y214-K217 VanDerWaalsContact O-N 3.13Å; Y214-Y218 HydrophobicContact CD1-CE2 4.06Å; Y214-Y218 VanDerWaalsContact O-CD2 3.28Å; Y214-Y218 WeakPolarHBondContact O-CD2 3.48Å; Y214-Y218 PolarHBondContact O-N 3.47Å |
| 215 | I | 88.5 | Confident | 86.6 | Confident | 31 Ų | 31 | 81 Ų | 81 | 16% | 0.159 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -54.2 | -47.7 | 175.1 | -65 | 166.4 | 0 | 0 | 0 | 110.5 | L169 A172 I178 I186 V211 R212 K217 Y218 R219 | L169-I215 HydrophobicContact CD2-CD1 4.11Å; A172-I215 HydrophobicContact CB-CD1 4.36Å; I178-I215 HydrophobicContact CD1-CD1 3.62Å; I178-I215 HydrophobicContact CD1-CG1 3.54Å; I178-I215 HydrophobicContact CD1-CG2 4.26Å; I178-I215 HydrophobicContact CG1-CG1 4.16Å; I178-I215 HydrophobicContact CG1-CG2 4.07Å; I186-I215 HydrophobicContact CD1-CG1 4.05Å; V211-I215 HydrophobicContact CG1-CD1 3.91Å; V211-I215 HydrophobicContact CG1-CG1 4.43Å; V211-I215 WeakPolarHBondContact O-CG1 3.5Å; V211-I215 PolarHBondContact O-N 3.4Å; R212-I215 PolarHBondContact O-N 2.92Å; I215-K217 VanDerWaalsContact C-N 3.34Å; I215-K217 PolarHBondContact O-N 3.46Å; I215-Y218 PolarHBondContact O-N 3.27Å; I215-R219 WeakPolarHBondContact O-CB 3.31Å; I215-R219 PolarHBondContact O-N 3.45Å |
| 216 | E | 88.8 | Confident | 86.5 | Confident | 64 Ų | 64 | 77 Ų | 77 | 30% | 0.299 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 179.5 | -179.3 | 57.9 | -165.4 | 0 | 0 | 112.6 | R212 L213 Y214 R219 R220 | R212-E216 PolarHBondContact O-N 3.04Å; L213-E216 PolarHBondContact O-N 3.13Å; Y214-E216 VanDerWaalsContact C-N 3.28Å; Y214-E216 PolarHBondContact O-N 2.92Å; E216-R219 PolarHBondContact O-N 3.26Å; E216-R219 IonicContact OE1-CZ 2.83Å; E216-R219 IonicContact OE1-NE 2.85Å; E216-R219 IonicContact OE1-NH2 3.94Å; E216-R219 PolarHBondContact OE1-NH2 3.48Å; E216-R219 IonicContact OE2-CZ 3.85Å; E216-R219 IonicContact OE2-NE 3.69Å; E216-R219 PolarHBondContact OE2-NE 3.27Å; E216-R219 IonicContact OE2-NH2 3.81Å; E216-R219 PolarHBondContact OE2-NH2 2.94Å; E216-R220 PolarHBondContact O-N 3.44Å; E216-R220 IonicContact OE1-NH2 3.49Å; E216-R220 PolarHBondContact OE1-NH2 3.4Å |
| 217 | K | 90.5 | Very high | 86.2 | Confident | 108 Ų | 108 | 76.8 Ų | 76.8 | 47% | 0.47 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60 | -49.4 | 174.8 | 178.1 | -177.4 | 175.4 | 179.9 | 0 | 111.4 | L213 Y214 I215 R220 M221 | L213-K217 WeakPolarHBondContact O-CB 3.27Å; L213-K217 PolarHBondContact O-N 3.13Å; Y214-K217 WeakPolarHBondContact O-CB 3.28Å; Y214-K217 PolarHBondContact O-N 2.91Å; Y214-K217 VanDerWaalsContact O-N 3.13Å; I215-K217 VanDerWaalsContact C-N 3.34Å; I215-K217 PolarHBondContact O-N 3.46Å; K217-R220 PolarHBondContact O-N 3.25Å; K217-M221 HydrophobicContact CG-SD 4.18Å; K217-M221 WeakPolarHBondContact O-CG 3.38Å; K217-M221 PolarHBondContact O-N 2.75Å |
| 218 | Y | 88.9 | Confident | 85.4 | Confident | 20 Ų | 20 | 81.9 Ų | 81.9 | 8% | 0.078 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -40.9 | -179.5 | -83.8 | -87.7 | 0 | 0 | 0 | 111.7 | D182 D185 I186 K189 Y214 I215 R220 M221 H222 | D182-Y218 HydrophobicContact CB-CD1 4.07Å; D182-Y218 HydrophobicContact CB-CE1 4.47Å; D182-Y218 HydrophobicContact CB-CG 4.3Å; D182-Y218 WeakPolarHBondContact OD1-CD1 3.28Å; D182-Y218 WeakPolarHBondContact OD1-CE1 3.41Å; D185-Y218 WeakPolarHBondContact CB-OH 3.19Å; D185-Y218 PolarHBondContact OD2-OH 2.92Å; I186-Y218 HydrophobicContact CD1-CD2 4.03Å; I186-Y218 HydrophobicContact CG1-CD2 3.79Å; I186-Y218 HydrophobicContact CG1-CE2 3.79Å; K189-Y218 PolarHBondContact NZ-OH 2.82Å; Y214-Y218 HydrophobicContact CD1-CE2 4.06Å; Y214-Y218 VanDerWaalsContact O-CD2 3.28Å; Y214-Y218 WeakPolarHBondContact O-CD2 3.48Å; Y214-Y218 PolarHBondContact O-N 3.47Å; I215-Y218 PolarHBondContact O-N 3.27Å; Y218-R220 VanDerWaalsContact C-N 3.29Å; Y218-R220 PolarHBondContact O-N 3.37Å; Y218-M221 PolarHBondContact O-N 3.41Å; Y218-M221 VanDerWaalsContact O-N 3.16Å; Y218-H222 PolarHBondContact O-CD2 3.14Å; Y218-H222 PolarHBondContact O-N 3.07Å |
| 219 | R | 86.7 | Confident | 84.5 | Confident | 146 Ų | 146 | 84.7 Ų | 84.7 | 55% | 0.551 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -55.2 | -45.2 | 173.2 | -172.6 | 176.7 | 73.4 | 141.8 | 5.1 | 111.9 | I215 E216 K223 | I215-R219 WeakPolarHBondContact O-CB 3.31Å; I215-R219 PolarHBondContact O-N 3.45Å; E216-R219 PolarHBondContact O-N 3.26Å; E216-R219 IonicContact OE1-CZ 2.83Å; E216-R219 IonicContact OE1-NE 2.85Å; E216-R219 IonicContact OE1-NH2 3.94Å; E216-R219 PolarHBondContact OE1-NH2 3.48Å; E216-R219 IonicContact OE2-CZ 3.85Å; E216-R219 IonicContact OE2-NE 3.69Å; E216-R219 PolarHBondContact OE2-NE 3.27Å; E216-R219 IonicContact OE2-NH2 3.81Å; E216-R219 PolarHBondContact OE2-NH2 2.94Å; R219-K223 WeakPolarHBondContact O-CB 3.47Å; R219-K223 PolarHBondContact O-N 2.88Å |
| 220 | R | 87.7 | Confident | 83.3 | Confident | 145 Ų | 145 | 85.7 Ų | 85.7 | 55% | 0.547 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.1 | -45 | 176.7 | -170.6 | 177.2 | -59.1 | 148.8 | 8 | 111.9 | E216 K217 Y218 H222 K223 M224 | E216-R220 PolarHBondContact O-N 3.44Å; E216-R220 IonicContact OE1-NH2 3.49Å; E216-R220 PolarHBondContact OE1-NH2 3.4Å; K217-R220 PolarHBondContact O-N 3.25Å; Y218-R220 VanDerWaalsContact C-N 3.29Å; Y218-R220 PolarHBondContact O-N 3.37Å; R220-H222 PolarHBondContact O-N 3.07Å; R220-K223 PolarHBondContact O-N 2.9Å; R220-M224 HydrophobicContact CG-SD 4.36Å; R220-M224 WeakPolarHBondContact O-CG 3.4Å; R220-M224 PolarHBondContact O-N 2.93Å |
| 221 | M | 86.5 | Confident | 82 | Confident | 76 Ų | 76 | 89.8 Ų | 89.8 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 178.3 | -75.9 | -176 | 59.1 | 0 | 0 | 112.2 | K217 Y218 M224 K225 | K217-M221 HydrophobicContact CG-SD 4.18Å; K217-M221 WeakPolarHBondContact O-CG 3.38Å; K217-M221 PolarHBondContact O-N 2.75Å; Y218-M221 PolarHBondContact O-N 3.41Å; Y218-M221 VanDerWaalsContact O-N 3.16Å; M221-M224 PolarHBondContact O-N 3.21Å; M221-K225 WeakPolarHBondContact O-CG 3.28Å; M221-K225 PolarHBondContact O-N 2.9Å |
| 222 | H | 86.1 | Confident | 80.6 | Confident | 68 Ų | 68 | 92.5 Ų | 92.5 | 32% | 0.315 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.1 | -77.3 | -61.1 | 0 | 0 | 0 | 112.3 | N179 D182 Y218 R220 M224 K225 A226 | N179-H222 PolarHBondContact ND2-NE2 2.89Å; D182-H222 IonicContact OD1-CE1 2.71Å; D182-H222 IonicContact OD1-NE2 3.06Å; D182-H222 PolarHBondContact OD1-NE2 2.66Å; D182-H222 IonicContact OD2-CD2 3.01Å; D182-H222 PolarHBondContact OD2-CD2 3.49Å; D182-H222 IonicContact OD2-CE1 2.73Å; D182-H222 IonicContact OD2-NE2 2.91Å; D182-H222 PolarHBondContact OD2-NE2 3.4Å; Y218-H222 PolarHBondContact O-CD2 3.14Å; Y218-H222 PolarHBondContact O-N 3.07Å; R220-H222 PolarHBondContact O-N 3.07Å; H222-M224 VanDerWaalsContact C-N 3.29Å; H222-M224 PolarHBondContact O-N 2.87Å; H222-K225 PolarHBondContact O-N 2.92Å; H222-A226 WeakPolarHBondContact O-CB 3.48Å; H222-A226 PolarHBondContact O-N 3.09Å |
| 223 | K | 85.1 | Confident | 79.2 | Confident | 143 Ų | 143 | 87.7 Ų | 87.7 | 62% | 0.622 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.9 | -41 | 172.8 | -173.7 | 177.1 | -179.9 | 179 | 0 | 111.6 | R219 R220 Q227 | R219-K223 WeakPolarHBondContact O-CB 3.47Å; R219-K223 PolarHBondContact O-N 2.88Å; R220-K223 PolarHBondContact O-N 2.9Å; K223-Q227 WeakPolarHBondContact O-CB 3.34Å; K223-Q227 VanDerWaalsContact O-CG 3.3Å; K223-Q227 WeakPolarHBondContact O-CG 3.42Å; K223-Q227 PolarHBondContact O-N 3.27Å |
| 224 | M | 82.8 | Confident | 77.8 | Confident | 119 Ų | 119 | 85.4 Ų | 85.4 | 59% | 0.586 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.8 | -42.4 | 176.7 | -71.2 | -177.6 | 72.5 | 0 | 0 | 112 | R220 M221 H222 Q227 E228 | R220-M224 HydrophobicContact CG-SD 4.36Å; R220-M224 WeakPolarHBondContact O-CG 3.4Å; R220-M224 PolarHBondContact O-N 2.93Å; M221-M224 PolarHBondContact O-N 3.21Å; H222-M224 VanDerWaalsContact C-N 3.29Å; H222-M224 PolarHBondContact O-N 2.87Å; M224-Q227 CarbonylContact O-C 3.43Å; M224-Q227 PolarHBondContact O-N 3.45Å; M224-E228 WeakPolarHBondContact O-CB 3.01Å; M224-E228 PolarHBondContact O-N 3.18Å |
| 225 | K | 82.3 | Confident | 76.6 | Confident | 127 Ų | 127 | 88.4 Ų | 88.4 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 176.2 | -74.8 | 180 | 175.5 | -171.7 | 0 | 112.3 | M221 H222 Q227 E228 T229 | M221-K225 WeakPolarHBondContact O-CG 3.28Å; M221-K225 PolarHBondContact O-N 2.9Å; H222-K225 PolarHBondContact O-N 2.92Å; K225-Q227 VanDerWaalsContact C-N 3.26Å; K225-Q227 PolarHBondContact O-N 3.42Å; K225-E228 PolarHBondContact O-N 3.32Å; K225-T229 PolarHBondContact O-N 3.3Å; K225-T229 VanDerWaalsContact O-N 3.1Å; K225-T229 PolarHBondContact O-OG1 3.22Å |
| 226 | A | 78.1 | Confident | 75.3 | Confident | 57 Ų | 57 | 94.1 Ų | 94.1 | 47% | 0.471 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.7 | -27.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H222 T229 T230 | H222-A226 WeakPolarHBondContact O-CB 3.48Å; H222-A226 PolarHBondContact O-N 3.09Å; A226-T229 PolarHBondContact O-OG1 3.41Å; A226-T230 WeakPolarHBondContact O-CG2 3.24Å; A226-T230 PolarHBondContact O-N 3.03Å; A226-T230 PolarHBondContact O-OG1 2.79Å; A226-T230 VanDerWaalsContact O-OG1 3.09Å |
| 227 | Q | 74.7 | Confident | 74.2 | Confident | 78 Ų | 78 | 96.1 Ų | 96.1 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -80.7 | -32 | 172.4 | -77.2 | -171.5 | -1.3 | 0 | 0 | 113 | K223 M224 K225 T230 K231 | K223-Q227 WeakPolarHBondContact O-CB 3.34Å; K223-Q227 VanDerWaalsContact O-CG 3.3Å; K223-Q227 WeakPolarHBondContact O-CG 3.42Å; K223-Q227 PolarHBondContact O-N 3.27Å; M224-Q227 CarbonylContact O-C 3.43Å; M224-Q227 PolarHBondContact O-N 3.45Å; K225-Q227 VanDerWaalsContact C-N 3.26Å; K225-Q227 PolarHBondContact O-N 3.42Å; Q227-T230 WeakPolarHBondContact CA-OG1 3.33Å; Q227-T230 PolarHBondContact O-N 3.48Å; Q227-T230 PolarHBondContact O-OG1 2.98Å; Q227-T230 VanDerWaalsContact O-OG1 3.08Å; Q227-K231 WeakPolarHBondContact O-CB 3.33Å; Q227-K231 WeakPolarHBondContact O-CG 3.5Å; Q227-K231 PolarHBondContact O-N 3.5Å |
| 228 | E | 69.1 | Low | 73.5 | Confident | 112 Ų | 112 | 93 Ų | 93 | 52% | 0.523 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.6 | -46.5 | 178.2 | -164.1 | 61.4 | -148.2 | 0 | 0 | 109.7 | M224 K225 T230 K231 T232 | M224-E228 WeakPolarHBondContact O-CB 3.01Å; M224-E228 PolarHBondContact O-N 3.18Å; K225-E228 PolarHBondContact O-N 3.32Å; E228-T230 VanDerWaalsContact C-N 3.31Å; E228-T230 PolarHBondContact O-N 2.91Å; E228-K231 PolarHBondContact O-N 3.34Å; E228-T232 PolarHBondContact O-N 3.26Å; E228-T232 PolarHBondContact O-OG1 3.48Å |
| 229 | T | 66.7 | Low | 72.8 | Confident | 81 Ų | 81 | 96 Ų | 96 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 174.2 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | K225 A226 K231 T233 | K225-T229 PolarHBondContact O-N 3.3Å; K225-T229 VanDerWaalsContact O-N 3.1Å; K225-T229 PolarHBondContact O-OG1 3.22Å; A226-T229 PolarHBondContact O-OG1 3.41Å; T229-K231 PolarHBondContact O-N 2.78Å; T229-T233 WeakPolarHBondContact O-CA 3.44Å; T229-T233 WeakPolarHBondContact O-CB 3.38Å; T229-T233 PolarHBondContact O-N 3.05Å; T229-T233 PolarHBondContact O-OG1 3.3Å |
| 230 | T | 61.6 | Low | 72.2 | Confident | 91 Ų | 91 | 92.5 Ų | 92.5 | 56% | 0.558 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.6 | -27.1 | 179.7 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | A226 Q227 E228 G234 | A226-T230 WeakPolarHBondContact O-CG2 3.24Å; A226-T230 PolarHBondContact O-N 3.03Å; A226-T230 PolarHBondContact O-OG1 2.79Å; A226-T230 VanDerWaalsContact O-OG1 3.09Å; Q227-T230 WeakPolarHBondContact CA-OG1 3.33Å; Q227-T230 PolarHBondContact O-N 3.48Å; Q227-T230 PolarHBondContact O-OG1 2.98Å; Q227-T230 VanDerWaalsContact O-OG1 3.08Å; E228-T230 VanDerWaalsContact C-N 3.31Å; E228-T230 PolarHBondContact O-N 2.91Å; T230-G234 WeakPolarHBondContact O-CA 3.28Å; T230-G234 PolarHBondContact O-N 3.42Å |
| 231 | K | 60.9 | Low | 71.7 | Confident | 117 Ų | 117 | 90 Ų | 90 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -78.8 | -47.1 | 177.9 | -75.1 | 170 | -170.8 | 167.4 | 0 | 112 | Q227 E228 T229 G234 V235 | Q227-K231 WeakPolarHBondContact O-CB 3.33Å; Q227-K231 WeakPolarHBondContact O-CG 3.5Å; Q227-K231 PolarHBondContact O-N 3.5Å; E228-K231 PolarHBondContact O-N 3.34Å; T229-K231 PolarHBondContact O-N 2.78Å; K231-G234 PolarHBondContact O-N 2.9Å; K231-V235 WeakPolarHBondContact O-CG2 3.48Å; K231-V235 PolarHBondContact O-N 3.48Å |
| 232 | T | 59 | Low | 71.3 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 35% | 0.35 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.9 | -48.7 | 174.8 | 57.8 | 0 | 0 | 0 | 0 | 108.8 | E228 G234 V235 Y236 | E228-T232 PolarHBondContact O-N 3.26Å; E228-T232 PolarHBondContact O-OG1 3.48Å; T232-G234 VanDerWaalsContact C-N 3.3Å; T232-G234 PolarHBondContact O-N 2.9Å; T232-V235 PolarHBondContact O-N 3.48Å; T232-Y236 WeakPolarHBondContact O-CB 3.26Å; T232-Y236 WeakPolarHBondContact O-CD2 3.34Å; T232-Y236 PolarHBondContact O-N 3.4Å |
| 233 | T | 59.2 | Low | 70.9 | Confident | 76 Ų | 76 | 90.4 Ų | 90.4 | 47% | 0.466 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -33.7 | 176.9 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | T229 V235 H237 | T229-T233 WeakPolarHBondContact O-CA 3.44Å; T229-T233 WeakPolarHBondContact O-CB 3.38Å; T229-T233 PolarHBondContact O-N 3.05Å; T229-T233 PolarHBondContact O-OG1 3.3Å; T233-V235 PolarHBondContact O-N 3.16Å; T233-H237 HydrophobicContact CG2-CB 4.13Å; T233-H237 VanDerWaalsContact O-CA 3.31Å; T233-H237 WeakPolarHBondContact O-CA 3.24Å; T233-H237 WeakPolarHBondContact O-CB 3.35Å; T233-H237 PolarHBondContact O-N 3.06Å |
| 234 | G | 59.8 | Low | 70.6 | Confident | 47 Ų | 47 | 89.8 Ų | 89.8 | 49% | 0.485 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T230 K231 T232 G238 | T230-G234 WeakPolarHBondContact O-CA 3.28Å; T230-G234 PolarHBondContact O-N 3.42Å; K231-G234 PolarHBondContact O-N 2.9Å; T232-G234 VanDerWaalsContact C-N 3.3Å; T232-G234 PolarHBondContact O-N 2.9Å; G234-G238 PolarHBondContact O-N 2.9Å |
| 235 | V | 65.3 | Low | 70.5 | Confident | 93 Ų | 93 | 87.4 Ų | 87.4 | 56% | 0.564 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -74.8 | -47.1 | 177.9 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | K231 T232 T233 G238 I239 | K231-V235 WeakPolarHBondContact O-CG2 3.48Å; K231-V235 PolarHBondContact O-N 3.48Å; T232-V235 PolarHBondContact O-N 3.48Å; T233-V235 PolarHBondContact O-N 3.16Å; V235-G238 PolarHBondContact O-N 2.97Å; V235-I239 HydrophobicContact CG1-CD1 3.94Å; V235-I239 VanDerWaalsContact O-CG1 3.32Å; V235-I239 WeakPolarHBondContact O-CG1 3.29Å; V235-I239 PolarHBondContact O-N 3.28Å |
| 236 | Y | 61.6 | Low | 70.4 | Confident | 152 Ų | 152 | 85.1 Ų | 85.1 | 60% | 0.596 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -47.1 | 177.1 | -78 | -74.5 | 0 | 0 | 0 | 111.2 | T232 G238 I239 D240 | T232-Y236 WeakPolarHBondContact O-CB 3.26Å; T232-Y236 WeakPolarHBondContact O-CD2 3.34Å; T232-Y236 PolarHBondContact O-N 3.4Å; Y236-G238 VanDerWaalsContact C-N 3.29Å; Y236-G238 PolarHBondContact O-N 3.21Å; Y236-I239 CarbonylContact O-C 3.43Å; Y236-I239 PolarHBondContact O-N 2.87Å; Y236-I239 VanDerWaalsContact O-N 3.17Å; Y236-D240 VanDerWaalsContact O-CB 3.26Å; Y236-D240 WeakPolarHBondContact O-CB 3.36Å; Y236-D240 PolarHBondContact O-N 3.32Å |
| 237 | H | 66.3 | Low | 70.6 | Confident | 106 Ų | 106 | 89.7 Ų | 89.7 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.2 | -29.8 | 178.5 | -158.6 | 59.7 | 0 | 0 | 0 | 112.5 | T233 N241 | T233-H237 HydrophobicContact CG2-CB 4.13Å; T233-H237 VanDerWaalsContact O-CA 3.31Å; T233-H237 WeakPolarHBondContact O-CA 3.24Å; T233-H237 WeakPolarHBondContact O-CB 3.35Å; T233-H237 PolarHBondContact O-N 3.06Å; H237-N241 WeakPolarHBondContact O-CB 3.41Å; H237-N241 PolarHBondContact O-N 3.03Å |
| 238 | G | 74.7 | Confident | 70.9 | Confident | 41 Ų | 41 | 90.5 Ų | 90.5 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.1 | -47.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G234 V235 Y236 F242 | G234-G238 PolarHBondContact O-N 2.9Å; V235-G238 PolarHBondContact O-N 2.97Å; Y236-G238 VanDerWaalsContact C-N 3.29Å; Y236-G238 PolarHBondContact O-N 3.21Å; G238-F242 VanDerWaalsContact O-CB 3.27Å; G238-F242 WeakPolarHBondContact O-CB 3.36Å; G238-F242 PolarHBondContact O-N 3.46Å |
| 239 | I | 75.3 | Confident | 71.4 | Confident | 85 Ų | 85 | 85.7 Ų | 85.7 | 44% | 0.436 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.6 | -46.5 | 176.8 | -65.6 | 166 | 0 | 0 | 0 | 110.2 | V235 Y236 N241 F242 L243 | V235-I239 HydrophobicContact CG1-CD1 3.94Å; V235-I239 VanDerWaalsContact O-CG1 3.32Å; V235-I239 WeakPolarHBondContact O-CG1 3.29Å; V235-I239 PolarHBondContact O-N 3.28Å; Y236-I239 CarbonylContact O-C 3.43Å; Y236-I239 PolarHBondContact O-N 2.87Å; Y236-I239 VanDerWaalsContact O-N 3.17Å; I239-N241 PolarHBondContact O-N 3.44Å; I239-F242 CarbonylContact O-C 3.57Å; I239-F242 WeakPolarHBondContact O-CA 3.47Å; I239-F242 WeakPolarHBondContact O-CB 3.23Å; I239-F242 PolarHBondContact O-N 2.97Å; I239-L243 HydrophobicContact CG2-CD1 3.66Å; I239-L243 HydrophobicContact CG2-CG 3.95Å; I239-L243 WeakPolarHBondContact O-CB 3.5Å; I239-L243 VanDerWaalsContact O-CG 3.24Å; I239-L243 WeakPolarHBondContact O-CG 3.37Å; I239-L243 PolarHBondContact O-N 2.93Å |
| 240 | D | 73.3 | Confident | 72.1 | Confident | 71 Ų | 71 | 86.9 Ų | 86.9 | 38% | 0.38 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 178.4 | -63.7 | -30.5 | 0 | 0 | 0 | 110.9 | Y236 F242 L243 N244 | Y236-D240 VanDerWaalsContact O-CB 3.26Å; Y236-D240 WeakPolarHBondContact O-CB 3.36Å; Y236-D240 PolarHBondContact O-N 3.32Å; D240-F242 VanDerWaalsContact C-N 3.29Å; D240-F242 PolarHBondContact O-N 3.23Å; D240-L243 PolarHBondContact O-N 2.59Å; D240-N244 WeakPolarHBondContact O-CB 3.23Å; D240-N244 PolarHBondContact O-N 2.99Å; D240-N244 PolarHBondContact O-ND2 3.28Å |
| 241 | N | 77.2 | Confident | 73 | Confident | 92 Ų | 92 | 86.6 Ų | 86.6 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.1 | -33.4 | 172.7 | -85.2 | -16.7 | 0 | 0 | 0 | 112.4 | H237 I239 N245 | H237-N241 WeakPolarHBondContact O-CB 3.41Å; H237-N241 PolarHBondContact O-N 3.03Å; I239-N241 PolarHBondContact O-N 3.44Å; N241-N245 WeakPolarHBondContact O-CB 3.26Å; N241-N245 PolarHBondContact O-N 3.17Å |
| 242 | F | 79.3 | Confident | 74 | Confident | 90 Ų | 90 | 84.8 Ų | 84.8 | 40% | 0.395 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.6 | -45.5 | 175.7 | -178.2 | -95.6 | 0 | 0 | 0 | 111.3 | G238 I239 D240 N245 Y248 | G238-F242 VanDerWaalsContact O-CB 3.27Å; G238-F242 WeakPolarHBondContact O-CB 3.36Å; G238-F242 PolarHBondContact O-N 3.46Å; I239-F242 CarbonylContact O-C 3.57Å; I239-F242 WeakPolarHBondContact O-CA 3.47Å; I239-F242 WeakPolarHBondContact O-CB 3.23Å; I239-F242 PolarHBondContact O-N 2.97Å; D240-F242 VanDerWaalsContact C-N 3.29Å; D240-F242 PolarHBondContact O-N 3.23Å; F242-N245 PolarHBondContact O-N 2.75Å; F242-Y248 HydrophobicContact CD2-CD1 4.26Å; F242-Y248 AromaticContact CD2-CD2 3.56Å; F242-Y248 HydrophobicContact CD2-CD2 3.56Å; F242-Y248 HydrophobicContact CD2-CE2 4.04Å; F242-Y248 AromaticContact CD2-CG 3.71Å; F242-Y248 HydrophobicContact CD2-CG 3.71Å; F242-Y248 AromaticContact CE2-CD1 3.45Å; F242-Y248 HydrophobicContact CE2-CD1 3.45Å; F242-Y248 VanDerWaalsContact CE2-CD1 3.45Å; F242-Y248 AromaticContact CE2-CD2 3.64Å; F242-Y248 HydrophobicContact CE2-CD2 3.64Å; F242-Y248 AromaticContact CE2-CE1 3.92Å; F242-Y248 HydrophobicContact CE2-CE1 3.92Å; F242-Y248 HydrophobicContact CE2-CE2 4.11Å; F242-Y248 AromaticContact CE2-CG 3.31Å; F242-Y248 HydrophobicContact CE2-CG 3.31Å; F242-Y248 HydrophobicContact CG-CD2 4.37Å; F242-Y248 HydrophobicContact CG-CG 4.48Å; F242-Y248 AromaticContact CZ-CD1 3.89Å; F242-Y248 HydrophobicContact CZ-CD1 3.89Å; F242-Y248 HydrophobicContact CZ-CD2 4.49Å; F242-Y248 AromaticContact CZ-CG 3.79Å; F242-Y248 HydrophobicContact CZ-CG 3.79Å; F242-Y248 WeakPolarHBondContact O-CB 3.38Å |
| 243 | L | 77 | Confident | 74.9 | Confident | 64 Ų | 64 | 83.1 Ų | 83.1 | 34% | 0.335 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.1 | -32.3 | 178.9 | -64.4 | 179.8 | 0 | 0 | 0 | 112.5 | I239 D240 N245 I252 L254 | I239-L243 HydrophobicContact CG2-CD1 3.66Å; I239-L243 HydrophobicContact CG2-CG 3.95Å; I239-L243 WeakPolarHBondContact O-CB 3.5Å; I239-L243 VanDerWaalsContact O-CG 3.24Å; I239-L243 WeakPolarHBondContact O-CG 3.37Å; I239-L243 PolarHBondContact O-N 2.93Å; D240-L243 PolarHBondContact O-N 2.59Å; L243-N245 VanDerWaalsContact C-N 3.35Å; L243-I252 HydrophobicContact CD2-CD1 3.6Å; L243-L254 HydrophobicContact CD2-CD1 3.7Å |
| 244 | N | 79.3 | Confident | 75.7 | Confident | 130 Ų | 130 | 80.8 Ų | 80.8 | 70% | 0.695 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -10.4 | 177.9 | -68.6 | -30 | 0 | 0 | 0 | 113.4 | D240 S246 | D240-N244 WeakPolarHBondContact O-CB 3.23Å; D240-N244 PolarHBondContact O-N 2.99Å; D240-N244 PolarHBondContact O-ND2 3.28Å; N244-S246 PolarHBondContact O-N 2.89Å |
| 245 | N | 80.9 | Confident | 76 | Confident | 69 Ų | 69 | 81.1 Ų | 81.1 | 37% | 0.369 | 44% | 0.441 | S | S | . | . | trans | -81.6 | 112 | 174.7 | -174.6 | -31 | 0 | 0 | 0 | 109.2 | N241 F242 L243 K247 Y248 A249 | N241-N245 WeakPolarHBondContact O-CB 3.26Å; N241-N245 PolarHBondContact O-N 3.17Å; F242-N245 PolarHBondContact O-N 2.75Å; L243-N245 VanDerWaalsContact C-N 3.35Å; N245-K247 PolarHBondContact O-N 2.96Å; N245-K247 VanDerWaalsContact O-N 3.09Å; N245-K247 VanDerWaalsContact OD1-CB 3.29Å; N245-K247 WeakPolarHBondContact OD1-CB 3.14Å; N245-K247 PolarHBondContact OD1-N 3.39Å; N245-Y248 HydrophobicContact CB-CD2 3.78Å; N245-Y248 HydrophobicContact CB-CE2 4.48Å; N245-Y248 PolarHBondContact O-N 2.99Å; N245-A249 PolarHBondContact O-N 3.44Å | ||
| 246 | S | 80.2 | Confident | 76.2 | Confident | 78 Ų | 78 | 82.4 Ų | 82.4 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -48.7 | -39.6 | -179.7 | 158.1 | 0 | 0 | 0 | 0 | 113 | N244 Y248 A249 D250 | N244-S246 PolarHBondContact O-N 2.89Å; S246-Y248 PolarHBondContact O-N 3.36Å; S246-A249 PolarHBondContact O-N 3.13Å; S246-D250 PolarHBondContact O-N 2.84Å; S246-D250 PolarHBondContact OG-OD2 2.89Å |
| 247 | K | 82.2 | Confident | 76.5 | Confident | 154 Ų | 154 | 76.2 Ų | 76.2 | 67% | 0.67 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -57.2 | -37.8 | 178.6 | -174.4 | -177.5 | 178.8 | -176.1 | 0 | 112.8 | N245 | N245-K247 PolarHBondContact O-N 2.96Å; N245-K247 VanDerWaalsContact O-N 3.09Å; N245-K247 VanDerWaalsContact OD1-CB 3.29Å; N245-K247 WeakPolarHBondContact OD1-CB 3.14Å; N245-K247 PolarHBondContact OD1-N 3.39Å |
| 248 | Y | 81 | Confident | 76.8 | Confident | 95 Ų | 95 | 77.9 Ų | 77.9 | 37% | 0.373 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -90.5 | -36.7 | -179.4 | -62.1 | -58 | 0 | 0 | 0 | 111.7 | F242 N245 S246 D250 A251 I252 | F242-Y248 HydrophobicContact CD2-CD1 4.26Å; F242-Y248 AromaticContact CD2-CD2 3.56Å; F242-Y248 HydrophobicContact CD2-CD2 3.56Å; F242-Y248 HydrophobicContact CD2-CE2 4.04Å; F242-Y248 AromaticContact CD2-CG 3.71Å; F242-Y248 HydrophobicContact CD2-CG 3.71Å; F242-Y248 AromaticContact CE2-CD1 3.45Å; F242-Y248 HydrophobicContact CE2-CD1 3.45Å; F242-Y248 VanDerWaalsContact CE2-CD1 3.45Å; F242-Y248 AromaticContact CE2-CD2 3.64Å; F242-Y248 HydrophobicContact CE2-CD2 3.64Å; F242-Y248 AromaticContact CE2-CE1 3.92Å; F242-Y248 HydrophobicContact CE2-CE1 3.92Å; F242-Y248 HydrophobicContact CE2-CE2 4.11Å; F242-Y248 AromaticContact CE2-CG 3.31Å; F242-Y248 HydrophobicContact CE2-CG 3.31Å; F242-Y248 HydrophobicContact CG-CD2 4.37Å; F242-Y248 HydrophobicContact CG-CG 4.48Å; F242-Y248 AromaticContact CZ-CD1 3.89Å; F242-Y248 HydrophobicContact CZ-CD1 3.89Å; F242-Y248 HydrophobicContact CZ-CD2 4.49Å; F242-Y248 AromaticContact CZ-CG 3.79Å; F242-Y248 HydrophobicContact CZ-CG 3.79Å; F242-Y248 WeakPolarHBondContact O-CB 3.38Å; N245-Y248 HydrophobicContact CB-CD2 3.78Å; N245-Y248 HydrophobicContact CB-CE2 4.48Å; N245-Y248 PolarHBondContact O-N 2.99Å; S246-Y248 PolarHBondContact O-N 3.36Å; Y248-D250 VanDerWaalsContact C-N 3.29Å; Y248-D250 PolarHBondContact O-N 3.39Å; Y248-A251 WeakPolarHBondContact O-CB 3.21Å; Y248-A251 PolarHBondContact O-N 3.41Å; Y248-A251 VanDerWaalsContact O-N 3.11Å; Y248-I252 WeakPolarHBondContact O-CG1 3.36Å; Y248-I252 PolarHBondContact O-N 3.44Å |
| 249 | A | 78.8 | Confident | 76.4 | Confident | 11 Ų | 11 | 81.8 Ų | 81.8 | 9% | 0.091 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -54.5 | -45.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N245 S246 A251 I252 G253 L254 | N245-A249 PolarHBondContact O-N 3.44Å; S246-A249 PolarHBondContact O-N 3.13Å; A249-A251 VanDerWaalsContact C-N 3.33Å; A249-A251 PolarHBondContact O-N 2.89Å; A249-I252 WeakPolarHBondContact O-CG1 3.36Å; A249-I252 PolarHBondContact O-N 2.85Å; A249-G253 PolarHBondContact O-N 3.48Å; A249-L254 HydrophobicContact CB-CB 4.24Å; A249-L254 PolarHBondContact O-N 3.31Å |
| 250 | D | 80.6 | Confident | 76.2 | Confident | 106 Ų | 106 | 86 Ų | 86 | 57% | 0.567 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.3 | -38.2 | 178.5 | -62.9 | -22 | 0 | 0 | 0 | 111.7 | S246 Y248 I252 G253 | S246-D250 PolarHBondContact O-N 2.84Å; S246-D250 PolarHBondContact OG-OD2 2.89Å; Y248-D250 VanDerWaalsContact C-N 3.29Å; Y248-D250 PolarHBondContact O-N 3.39Å; D250-I252 VanDerWaalsContact C-N 3.29Å; D250-I252 PolarHBondContact O-N 3.38Å; D250-G253 PolarHBondContact O-N 3.39Å |
| 251 | A | 81.9 | Confident | 76.1 | Confident | 84 Ų | 84 | 88.9 Ų | 88.9 | 69% | 0.694 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.4 | -25.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y248 A249 | Y248-A251 WeakPolarHBondContact O-CB 3.21Å; Y248-A251 PolarHBondContact O-N 3.41Å; Y248-A251 VanDerWaalsContact O-N 3.11Å; A249-A251 VanDerWaalsContact C-N 3.33Å; A249-A251 PolarHBondContact O-N 2.89Å |
| 252 | I | 80.6 | Confident | 75.8 | Confident | 79 Ų | 79 | 88.6 Ų | 88.6 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 7.7 | 176.7 | 60.3 | 176.8 | 0 | 0 | 0 | 113 | L243 Y248 A249 D250 L254 | L243-I252 HydrophobicContact CD2-CD1 3.6Å; Y248-I252 WeakPolarHBondContact O-CG1 3.36Å; Y248-I252 PolarHBondContact O-N 3.44Å; A249-I252 WeakPolarHBondContact O-CG1 3.36Å; A249-I252 PolarHBondContact O-N 2.85Å; D250-I252 VanDerWaalsContact C-N 3.29Å; D250-I252 PolarHBondContact O-N 3.38Å; I252-L254 VanDerWaalsContact C-N 3.3Å; I252-L254 HydrophobicContact CD1-CB 4.44Å; I252-L254 HydrophobicContact CD1-CD1 3.39Å; I252-L254 HydrophobicContact CD1-CG 3.74Å; I252-L254 HydrophobicContact CG1-CB 4.17Å; I252-L254 HydrophobicContact CG1-CD1 4.01Å; I252-L254 HydrophobicContact CG1-CG 3.78Å; I252-L254 PolarHBondContact O-N 2.91Å |
| 253 | G | 78 | Confident | 75.5 | Confident | 22 Ų | 22 | 90 Ų | 90 | 23% | 0.227 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 25.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A249 D250 V265 | A249-G253 PolarHBondContact O-N 3.48Å; D250-G253 PolarHBondContact O-N 3.39Å; G253-V265 PolarHBondContact O-N 3.25Å |
| 254 | L | 76.1 | Confident | 75.4 | Confident | 27 Ų | 27 | 92.8 Ų | 92.8 | 14% | 0.141 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 107.5 | 173 | -74.2 | -173 | 0 | 0 | 0 | 109.7 | L243 A249 I252 T262 F263 I264 | L243-L254 HydrophobicContact CD2-CD1 3.7Å; A249-L254 HydrophobicContact CB-CB 4.24Å; A249-L254 PolarHBondContact O-N 3.31Å; I252-L254 VanDerWaalsContact C-N 3.3Å; I252-L254 HydrophobicContact CD1-CB 4.44Å; I252-L254 HydrophobicContact CD1-CD1 3.39Å; I252-L254 HydrophobicContact CD1-CG 3.74Å; I252-L254 HydrophobicContact CG1-CB 4.17Å; I252-L254 HydrophobicContact CG1-CD1 4.01Å; I252-L254 HydrophobicContact CG1-CG 3.78Å; I252-L254 PolarHBondContact O-N 2.91Å; L254-T262 HydrophobicContact CB-CG2 3.62Å; L254-T262 HydrophobicContact CD1-CG2 4.15Å; L254-T262 HydrophobicContact CD2-CG2 3.72Å; L254-T262 HydrophobicContact CG-CG2 4.01Å; L254-F263 WeakPolarHBondContact CA-O 3.45Å; L254-I264 HydrophobicContact CD2-CG1 3.73Å |
| 255 | S | 67.4 | Low | 75.1 | Confident | 54 Ų | 54 | 91 Ų | 91 | 38% | 0.378 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 133.8 | 170.9 | -67.5 | 0 | 0 | 0 | 0 | 110.4 | G257 T262 F263 | S255-G257 PolarHBondContact O-N 3.38Å; S255-T262 WeakPolarHBondContact O-CG2 3.32Å; S255-F263 PolarHBondContact N-O 3.3Å; S255-F263 PolarHBondContact O-N 3.35Å |
| 256 | P | 68.3 | Low | 74.7 | Confident | 121 Ų | 121 | 102 Ų | 102 | 79% | 0.786 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 113.4 | 172.2 | 25.7 | -31.2 | 0 | 0 | 0 | 108.4 | ||
| 257 | G | 67.5 | Low | 74.5 | Confident | 22 Ų | 22 | 103.2 Ų | 103.2 | 23% | 0.227 | 54% | 0.541 | C | S | . | . | trans | -87.2 | 173.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S255 K261 F263 | S255-G257 PolarHBondContact O-N 3.38Å; G257-K261 CarbonylContact C-O 3.53Å; G257-K261 WeakPolarHBondContact CA-O 3.45Å; G257-K261 PolarHBondContact N-O 3.46Å; G257-F263 VanDerWaalsContact CA-CD2 3.42Å; G257-F263 VanDerWaalsContact CA-CE2 3.42Å | ||
| 258 | L | 73.7 | Confident | 74 | Confident | 140 Ų | 140 | 100.5 Ų | 100.5 | 73% | 0.733 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 130.9 | 176.2 | -162.9 | 67.6 | 0 | 0 | 0 | 110.4 | ||
| 259 | N | 66.5 | Low | 73.7 | Confident | 124 Ų | 124 | 100.8 Ų | 100.8 | 66% | 0.663 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 52.1 | 178.6 | -49 | -38.4 | 0 | 0 | 0 | 115.9 | K261 | N259-K261 PolarHBondContact O-N 3.46Š|
| 260 | D | 70.3 | Confident | 73.4 | Confident | 174 Ų | 174 | 106.1 Ų | 106.1 | 93% | 0.93 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 58.8 | 16.7 | 176.8 | -53.5 | -34.2 | 0 | 0 | 0 | 114.8 | ||
| 261 | K | 72.2 | Confident | 72.9 | Confident | 130 Ų | 130 | 106.1 Ų | 106.1 | 57% | 0.565 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 130.9 | 175.2 | -66 | 176.5 | -174.4 | -177.5 | 0 | 108.6 | G257 N259 | G257-K261 CarbonylContact C-O 3.53Å; G257-K261 WeakPolarHBondContact CA-O 3.45Å; G257-K261 PolarHBondContact N-O 3.46Å; N259-K261 PolarHBondContact O-N 3.46Å |
| 262 | T | 70.8 | Confident | 72.3 | Confident | 86 Ų | 86 | 107.5 Ų | 107.5 | 53% | 0.528 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.7 | 172.2 | -37.4 | 0 | 0 | 0 | 0 | 109.3 | L254 S255 | L254-T262 HydrophobicContact CB-CG2 3.62Å; L254-T262 HydrophobicContact CD1-CG2 4.15Å; L254-T262 HydrophobicContact CD2-CG2 3.72Å; L254-T262 HydrophobicContact CG-CG2 4.01Å; S255-T262 WeakPolarHBondContact O-CG2 3.32Å |
| 263 | F | 71.1 | Confident | 71.7 | Confident | 119 Ų | 119 | 109.6 Ų | 109.6 | 52% | 0.522 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.5 | 136.2 | 176.3 | -65.1 | -76.3 | 0 | 0 | 0 | 110.1 | L254 S255 G257 | L254-F263 WeakPolarHBondContact CA-O 3.45Å; S255-F263 PolarHBondContact N-O 3.3Å; S255-F263 PolarHBondContact O-N 3.35Å; G257-F263 VanDerWaalsContact CA-CD2 3.42Å; G257-F263 VanDerWaalsContact CA-CE2 3.42Å |
| 264 | I | 75.4 | Confident | 71.2 | Confident | 123 Ų | 123 | 116.3 Ų | 116.3 | 63% | 0.631 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.3 | 111.2 | 167.5 | -59 | 170 | 0 | 0 | 0 | 106.7 | L254 | L254-I264 HydrophobicContact CD2-CG1 3.73Å |
| 265 | V | 73.3 | Confident | 70.8 | Confident | 93 Ų | 93 | 123.8 Ų | 123.8 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | trans | -83 | 114.9 | 172.6 | -172.6 | 0 | 0 | 0 | 0 | 107.3 | G253 | G253-V265 PolarHBondContact O-N 3.25Š| ||
| 266 | R | 73.3 | Confident | 71.1 | Confident | 299 Ų | 299 | 130.1 Ų | 130.1 | 100% | 1.128 | 66% | 0.662 | S | S | * | * | trans | -98.1 | 0 | 171.5 | -87.8 | -165.7 | -174.7 | 120.7 | 0.2 | 110.9 |
Retrieved 266 of 266 residues in 103.8 ms
(Link to these results)