| 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 | 49.7 | Very low | 50.1 | Low | 238 Ų | 238 | 151.6 Ų | 151.6 | 100% | 1.172 | 82% | 0.816 | S | S | * | * | 0 | 107.8 | 0 | -78.8 | 82.5 | 88.8 | 0 | 0 | 109.7 | |||||
| 2 | S | 39.9 | Very low | 49.7 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -132.1 | 109.5 | 159.1 | -85.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 3 | S | 51 | Low | 49.6 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -75.4 | 120.9 | -177.4 | 48.4 | 0 | 0 | 0 | 0 | 110.9 | F5 | S3-F5 PolarHBondContact O-N 3.23Š| ||
| 4 | Y | 62.9 | Low | 49.4 | Very low | 214 Ų | 214 | 148.6 Ų | 148.6 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -74.1 | 117.2 | 165.8 | -51.5 | -83.8 | 0 | 0 | 0 | 108.4 | V6 | Y4-V6 PolarHBondContact O-N 3.34Å; Y4-V6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | F | 53.9 | Low | 49.3 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -68.5 | 103.1 | 162.8 | -85.2 | -86.7 | 0 | 0 | 0 | 107.8 | S3 N7 | S3-F5 PolarHBondContact O-N 3.23Å; F5-N7 PolarHBondContact O-N 3.14Å | ||
| 6 | V | 57.1 | Low | 48.8 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | trans | -73.9 | 122.3 | 168.8 | 175.8 | 0 | 0 | 0 | 0 | 107.5 | Y4 S8 | Y4-V6 PolarHBondContact O-N 3.34Å; Y4-V6 VanDerWaalsContact O-N 3.11Å; V6-S8 PolarHBondContact O-N 3.26Å; V6-S8 VanDerWaalsContact O-N 3.17Å | ||
| 7 | N | 37.1 | Very low | 48.5 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -72.6 | 101.9 | 176.1 | -142.1 | -15.9 | 0 | 0 | 0 | 107.8 | F5 T9 | F5-N7 PolarHBondContact O-N 3.14Å; N7-T9 PolarHBondContact O-N 3.14Å | ||
| 8 | S | 54.2 | Low | 48.5 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -74.8 | 84.6 | 179.9 | -71.2 | 0 | 0 | 0 | 0 | 110.8 | V6 | V6-S8 PolarHBondContact O-N 3.26Å; V6-S8 VanDerWaalsContact O-N 3.17Å | ||
| 9 | T | 55 | Low | 48.2 | Very low | 106 Ų | 106 | 142 Ų | 142 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | trans | -143.7 | 49.1 | 161.4 | -46.6 | 0 | 0 | 0 | 0 | 110.3 | N7 | N7-T9 PolarHBondContact O-N 3.14Š| ||
| 10 | F | 40.8 | Very low | 48.5 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 83% | 0.833 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -151.7 | 123.7 | 156.9 | -68.2 | -70.5 | 0 | 0 | 0 | 108 | V12 | F10-V12 PolarHBondContact O-N 3.39Š|
| 11 | P | 50.1 | Low | 48.7 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -68.7 | 118.8 | 170.4 | 27.5 | -30 | 0 | 0 | 0 | 108.6 | T13 | P11-T13 PolarHBondContact O-N 3.13Š| ||
| 12 | V | 45 | Very low | 48.5 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -76.6 | 113.4 | 167.2 | 169.1 | 0 | 0 | 0 | 0 | 107.3 | F10 | F10-V12 PolarHBondContact O-N 3.39Š| ||
| 13 | T | 48.5 | Very low | 48.7 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -107.8 | 111.6 | 163.6 | 50.6 | 0 | 0 | 0 | 0 | 108.8 | P11 | P11-T13 PolarHBondContact O-N 3.13Š| ||
| 14 | L | 46.2 | Very low | 48.6 | Very low | 154 Ų | 154 | 142 Ų | 142 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | trans | -104.1 | 164.3 | 163 | -90.3 | 172.7 | 0 | 0 | 0 | 108.9 | ||||
| 15 | P | 48.1 | Very low | 47.6 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -93.5 | 147.9 | -132.4 | 35.8 | -35.2 | 0 | 0 | 0 | 113.3 | ||
| 16 | G | 41.8 | Very low | 47.3 | Very low | 80 Ų | 80 | 134.8 Ų | 134.8 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 127.7 | 109.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 17 | G | 43.2 | Very low | 46.8 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 100.4 | 95.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 18 | Q | 49.4 | Very low | 47 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | 36.2 | 109.1 | 139.4 | -51.8 | -67.3 | 3 | 0 | 0 | 117 | ||||
| 19 | E | 42.5 | Very low | 46.3 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | -168.5 | 120 | 123 | -92.6 | -44.9 | 128.3 | 0 | 0 | 107.6 | F21 | E19-F21 PolarHBondContact O-N 3.29Š| |||
| 20 | S | 53.8 | Low | 46.1 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -84.4 | 101.7 | -176.1 | -61.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 21 | F | 51.8 | Low | 46 | Very low | 194 Ų | 194 | 135 Ų | 135 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | -143.7 | 56.9 | 173.4 | -139.9 | -88 | 0 | 0 | 0 | 112.8 | E19 | E19-F21 PolarHBondContact O-N 3.29Š| ||
| 22 | L | 46.6 | Very low | 45.6 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -129.3 | 119.5 | 156.5 | -87.1 | 174.8 | 0 | 0 | 0 | 110.2 | ||||
| 23 | G | 43.8 | Very low | 46.1 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -56.9 | 155.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I25 | G23-I25 PolarHBondContact O-N 3.31Š| ||
| 24 | Q | 48.1 | Very low | 45.8 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -34.3 | 114.2 | 175.7 | -70.6 | 154.9 | -34.7 | 0 | 0 | 114.5 | ||||
| 25 | I | 43.2 | Very low | 46.2 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | trans | -106 | 119.4 | 146.1 | -59.1 | 175.7 | 0 | 0 | 0 | 105.2 | G23 L27 | G23-I25 PolarHBondContact O-N 3.31Å; I25-L27 PolarHBondContact O-N 3.11Å | ||
| 26 | P | 46.8 | Very low | 46.5 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -66.2 | 102.6 | 173.2 | -14.7 | 28.3 | 0 | 0 | 0 | 109 | Y28 | P26-Y28 PolarHBondContact O-N 2.97Š| ||
| 27 | L | 47.3 | Very low | 46.7 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 108.6 | 164.9 | -67.2 | 176.2 | 0 | 0 | 0 | 107.1 | I25 S29 | I25-L27 PolarHBondContact O-N 3.11Å; L27-S29 PolarHBondContact O-N 3.02Å | ||
| 28 | Y | 40.3 | Very low | 47 | Very low | 230 Ų | 230 | 150.3 Ų | 150.3 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 117.5 | 169 | -150.1 | -92.5 | 0 | 0 | 0 | 108 | P26 S30 | P26-Y28 PolarHBondContact O-N 2.97Å; Y28-S30 PolarHBondContact O-N 2.93Å |
| 29 | S | 40.2 | Very low | 46.3 | Very low | 102 Ų | 102 | 153.6 Ų | 153.6 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 127.7 | -176.9 | -160.5 | 0 | 0 | 0 | 0 | 110.1 | L27 G31 | L27-S29 PolarHBondContact O-N 3.02Å; S29-G31 PolarHBondContact O-N 2.84Å |
| 30 | S | 49.8 | Very low | 46.5 | Very low | 124 Ų | 124 | 150.3 Ų | 150.3 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 116.1 | 165.3 | 167.7 | 0 | 0 | 0 | 0 | 109 | Y28 | Y28-S30 PolarHBondContact O-N 2.93Š|
| 31 | G | 39.7 | Very low | 45.8 | Very low | 61 Ų | 61 | 148.9 Ų | 148.9 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | trans | -178.9 | 99.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S29 | S29-G31 PolarHBondContact O-N 2.84Š| ||
| 32 | Y | 42.3 | Very low | 45.3 | Very low | 217 Ų | 217 | 144.6 Ų | 144.6 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | 78.3 | 116.2 | 150 | -90.1 | -102.7 | 0 | 0 | 0 | 121.4 | ||||
| 33 | T | 54.1 | Low | 45.2 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | 55.3 | 107.1 | 140.3 | 60.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 34 | D | 42.3 | Very low | 44.9 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -132.5 | 105.5 | 157.2 | -163.3 | 8.9 | 0 | 0 | 0 | 110.5 | ||||
| 35 | P | 54.8 | Low | 44.4 | Very low | 97 Ų | 97 | 143 Ų | 143 | 63% | 0.63 | 80% | 0.797 | S | S | * | * | trans | -85.3 | 136.1 | 175.9 | 33.3 | -28.2 | 0 | 0 | 0 | 110.5 | ||||
| 36 | L | 54.9 | Low | 44.2 | Very low | 146 Ų | 146 | 140.9 Ų | 140.9 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | 38 | 101.5 | 157.3 | -89.1 | 97.6 | 0 | 0 | 0 | 116.8 | ||||
| 37 | R | 46.3 | Very low | 44.1 | Very low | 242 Ų | 242 | 141.1 Ų | 141.1 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -131.6 | 104.2 | 148.7 | -88.2 | -116.1 | 153.3 | 130.8 | -3.9 | 111.9 | ||||
| 38 | H | 48.2 | Very low | 43.6 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -50 | 134.8 | 160.3 | -73.6 | 49.5 | 0 | 0 | 0 | 110.1 | P40 | H38-P40 WeakPolarHBondContact O-CD 3.4Š|
| 39 | Y | 35.8 | Very low | 43.7 | Very low | 232 Ų | 232 | 133.5 Ų | 133.5 | 91% | 0.91 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 118.4 | 168.9 | -136.9 | -89.1 | 0 | 0 | 0 | 108.7 | ||
| 40 | P | 47.3 | Very low | 43.7 | Very low | 109 Ų | 109 | 138 Ų | 138 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 149.5 | 179.1 | 32.5 | -29.7 | 0 | 0 | 0 | 110.8 | H38 | H38-P40 WeakPolarHBondContact O-CD 3.4Š|
| 41 | G | 38.9 | Very low | 43.4 | Very low | 78 Ų | 78 | 139.2 Ų | 139.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 147.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 42 | A | 40.9 | Very low | 43.5 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -87.7 | 101.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 43 | A | 45.1 | Very low | 43.3 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -126.7 | 111.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 44 | Y | 36.9 | Very low | 42.7 | Very low | 223 Ų | 223 | 144.5 Ų | 144.5 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | trans | -154.9 | 132.3 | 153.2 | 59 | -92.9 | 0 | 0 | 0 | 109.1 | ||||
| 45 | G | 37.6 | Very low | 43.4 | Very low | 83 Ų | 83 | 142.7 Ų | 142.7 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 133.3 | 66.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 46 | A | 38 | Very low | 42.5 | Very low | 97 Ų | 97 | 143.2 Ų | 143.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -104.6 | 121.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 47 | T | 45.5 | Very low | 41.9 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -147.6 | 109.3 | 152.4 | 54.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 48 | S | 37.2 | Very low | 41.6 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | 50.9 | 110.3 | 137.1 | 64.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 49 | V | 42.4 | Very low | 41.2 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | 41.3 | 120.1 | 133.4 | -90.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 50 | Q | 40.2 | Very low | 41.6 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | -163.8 | 124.3 | 110 | -100.4 | 177.6 | 25.5 | 0 | 0 | 111.2 | |||||
| 51 | D | 42.1 | Very low | 41.2 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -56.7 | 136.3 | 171.8 | -70.8 | -62.4 | 0 | 0 | 0 | 112.7 | ||||
| 52 | K | 42.9 | Very low | 41.3 | Very low | 196 Ų | 196 | 139.8 Ų | 139.8 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | -147.7 | 102.7 | 140.4 | -78.1 | -154.3 | 177.5 | 176.1 | 0 | 110.7 | ||||
| 53 | A | 38.3 | Very low | 41.2 | Very low | 95 Ų | 95 | 143.3 Ų | 143.3 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -73.2 | 134.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 54 | Y | 40.8 | Very low | 40.8 | Very low | 215 Ų | 215 | 142 Ų | 142 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | -132.1 | 121.3 | 157.9 | -103.3 | -83.8 | 0 | 0 | 0 | 107.6 | ||||
| 55 | P | 56.3 | Low | 40.7 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -92.8 | 146.8 | 163.8 | 34.7 | -26.8 | 0 | 0 | 0 | 109.4 | ||||
| 56 | S | 36.8 | Very low | 40.8 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | 164.8 | 113.6 | 127.5 | -168.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 57 | S | 42.6 | Very low | 40.8 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 26.2 | 143.7 | 137.6 | 65.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 58 | Y | 40.6 | Very low | 40.4 | Very low | 185 Ų | 185 | 148 Ų | 148 | 73% | 0.725 | 80% | 0.8 | S | S | * | * | trans | 111.7 | 85.6 | 139 | -143.6 | -95.3 | 0 | 0 | 0 | 116.4 | ||||
| 59 | Y | 39.8 | Very low | 40.5 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | -167.2 | 115.2 | 109.9 | -114 | -81.5 | 0 | 0 | 0 | 110.8 | |||||
| 60 | Q | 42.6 | Very low | 40.5 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -82.3 | 130.8 | 163.3 | 178.6 | 85.5 | 17.2 | 0 | 0 | 107.6 | ||||
| 61 | Q | 39.7 | Very low | 40.4 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -155.4 | 116.4 | 157.4 | -117 | 161.6 | 45.3 | 0 | 0 | 115.2 | ||||
| 62 | A | 40.5 | Very low | 40.5 | Very low | 89 Ų | 89 | 140.4 Ų | 140.4 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | 64.3 | 97.8 | 143.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 63 | N | 40.4 | Very low | 40.1 | Very low | 178 Ų | 178 | 134.6 Ų | 134.6 | 95% | 0.952 | 80% | 0.801 | S | S | * | * | trans | -68 | 128.2 | 145.8 | -78.7 | -36.3 | 0 | 0 | 0 | 109.8 | ||||
| 64 | G | 36 | Very low | 40.2 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -136.5 | 100.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 65 | A | 35.4 | Very low | 40.1 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -72.1 | 120.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | G67 | A65-G67 PolarHBondContact O-N 3.43Š| ||
| 66 | Y | 39.8 | Very low | 39 | Very low | 223 Ų | 223 | 132 Ų | 132 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -80.8 | 104.2 | 166.9 | 46.4 | -88.9 | 0 | 0 | 0 | 109.1 | ||||
| 67 | G | 36.2 | Very low | 39.1 | Very low | 74 Ų | 74 | 138 Ų | 138 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -69.1 | 132.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | A65 A69 | A65-G67 PolarHBondContact O-N 3.43Å; G67-A69 PolarHBondContact O-N 3.48Å | ||
| 68 | R | 38.8 | Very low | 38.8 | Very low | 256 Ų | 256 | 136.4 Ų | 136.4 | 97% | 0.966 | 80% | 0.804 | S | S | * | * | trans | -71.3 | 111.2 | 164 | -93.1 | -177.1 | 170.9 | -174.8 | -2.2 | 108.5 | ||||
| 69 | A | 37.9 | Very low | 38.5 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -87.4 | 119.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | G67 | G67-A69 PolarHBondContact O-N 3.48Š| ||
| 70 | S | 42.2 | Very low | 38.4 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -77.8 | 123.6 | 162.5 | -165.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 71 | A | 38.2 | Very low | 38.8 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -122.4 | 94.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | G73 | A71-G73 PolarHBondContact O-N 3.06Š| ||
| 72 | A | 44.7 | Very low | 38.8 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -63.7 | 111 | 154.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 73 | G | 34.7 | Very low | 38.8 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | trans | -106 | 101.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | A71 | A71-G73 PolarHBondContact O-N 3.06Š| ||
| 74 | A | 40.3 | Very low | 38.7 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -68.3 | 133.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 75 | C | 38.6 | Very low | 38.9 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -138.3 | 89 | 152.4 | 54.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 76 | D | 33.7 | Very low | 38.8 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -69.3 | 158.7 | 157.4 | -78 | -56.6 | 0 | 0 | 0 | 110.3 | ||||
| 77 | Y | 38.8 | Very low | 38.9 | Very low | 234 Ų | 234 | 139 Ų | 139 | 92% | 0.918 | 81% | 0.809 | S | S | * | * | trans | 93.2 | 129.4 | 158.7 | -143.1 | -94.3 | 0 | 0 | 0 | 117.1 | ||||
| 78 | A | 36.9 | Very low | 39.7 | Very low | 70 Ų | 70 | 141 Ų | 141 | 58% | 0.579 | 81% | 0.809 | S | S | * | * | cis | -170.7 | 173.4 | -23.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 79 | A | 33.5 | Very low | 39.6 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | 84.6 | 94.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 80 | A | 37.3 | Very low | 39.3 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | -167.6 | 97.9 | 106.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 81 | S | 51.5 | Low | 39 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -73.8 | 120.3 | 158.8 | -56.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 82 | F | 40.3 | Very low | 38.7 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | -145.3 | 109.7 | 158.1 | -94.1 | -82.1 | 0 | 0 | 0 | 109.8 | ||||
| 83 | Y | 40.6 | Very low | 38.1 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 82% | 0.82 | 79% | 0.791 | S | S | * | * | trans | 60.2 | 116.5 | 169.9 | -75.7 | -92 | 0 | 0 | 0 | 118.2 | ||||
| 84 | R | 37.2 | Very low | 37.8 | Very low | 209 Ų | 209 | 138.3 Ų | 138.3 | 79% | 0.789 | 79% | 0.789 | S | S | * | * | 65 | 93.7 | 52.1 | -151.4 | -171.4 | -166.2 | -171.2 | 11.8 | 114.9 | |||||
| 85 | E | 41.3 | Very low | 37.7 | Very low | 157 Ų | 157 | 142.3 Ų | 142.3 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | 51.7 | 116 | 130.1 | -157.6 | -172.6 | -174 | 0 | 0 | 120.1 | ||||
| 86 | K | 33.4 | Very low | 37.5 | Very low | 198 Ų | 198 | 144 Ų | 144 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | 172.9 | 121.3 | 127.1 | -122.6 | 159.6 | 167.4 | 175.9 | 0 | 113 | |||||
| 87 | D | 41.1 | Very low | 37.6 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -81.1 | 156.8 | 146.6 | -71.1 | -41.3 | 0 | 0 | 0 | 108 | ||||
| 88 | P | 52 | Low | 37.4 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | -154.9 | 167.9 | 51.4 | 39 | -15.4 | 0 | 0 | 0 | 119.4 | |||||
| 89 | A | 37.2 | Very low | 37.1 | Very low | 92 Ų | 92 | 142 Ų | 142 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | 48.5 | 131.3 | 144 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 90 | C | 32.8 | Very low | 37.2 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -165.3 | 111.3 | 144 | -93.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 91 | T | 34.9 | Very low | 37.1 | Very low | 127 Ų | 127 | 146 Ų | 146 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | 53.1 | 108.4 | 69.6 | 66.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 92 | L | 32.6 | Very low | 36.4 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | 176.4 | 103.3 | 131 | -155.5 | 64.1 | 0 | 0 | 0 | 109.5 | ||||
| 93 | A | 31.6 | Very low | 36.4 | Very low | 84 Ų | 84 | 145 Ų | 145 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | 49.8 | 111 | 101.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 94 | S | 29 | Very low | 36.2 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 93.3 | 110.5 | 78.7 | -156.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 95 | I | 38.6 | Very low | 36 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | trans | -134 | 128.1 | 150 | -66.1 | -175.5 | 0 | 0 | 0 | 107.2 | ||||
| 96 | E | 33.9 | Very low | 36 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -77.9 | 143.4 | -168.5 | -58.5 | 179.6 | 134.2 | 0 | 0 | 112.8 | ||||
| 97 | E | 34.8 | Very low | 36.1 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | 78.3 | 119.8 | 110.3 | -78.2 | -73.2 | 153.4 | 0 | 0 | 116.6 | |||||
| 98 | H | 34 | Very low | 36 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -165.1 | 92 | 135.5 | -95.3 | -66.4 | 0 | 0 | 0 | 110.4 | ||||
| 99 | S | 31.6 | Very low | 35.3 | Very low | 76 Ų | 76 | 143.7 Ų | 143.7 | 53% | 0.531 | 78% | 0.779 | S | S | . | * | trans | 33.4 | 123.9 | 135.5 | 72.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 100 | L | 35.5 | Very low | 35.1 | Very low | 154 Ų | 154 | 146 Ų | 146 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | 161.1 | 117.1 | 101.9 | -79 | -179.1 | 0 | 0 | 0 | 113 | |||||
| 101 | V | 36.2 | Very low | 35.3 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | trans | 37.7 | 113.4 | 138.3 | -172.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 102 | L | 36.8 | Very low | 35.4 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | trans | -154 | 111.6 | 136.6 | -112.5 | 152 | 0 | 0 | 0 | 109.8 | ||||
| 103 | S | 39.7 | Very low | 35.5 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -65.6 | 131.9 | 169.8 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 104 | Q | 35.5 | Very low | 36 | Very low | 163 Ų | 163 | 145 Ų | 145 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -155.5 | 103.7 | 149.5 | -158.8 | 155.8 | 13.3 | 0 | 0 | 112.1 | H106 | Q104-H106 PolarHBondContact O-N 3.31Å; Q104-H106 PolarHBondContact O-ND1 3.22Å | ||
| 105 | D | 33.6 | Very low | 36.7 | Very low | 153 Ų | 153 | 148 Ų | 148 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -37.8 | 122.9 | 162.7 | -88.4 | -66.9 | 0 | 0 | 0 | 112.3 | ||||
| 106 | H | 41.8 | Very low | 37.1 | Very low | 157 Ų | 157 | 148.6 Ų | 148.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -123.8 | 103.5 | 158.5 | -76 | 76.3 | 0 | 0 | 0 | 108.3 | Q104 K108 | Q104-H106 PolarHBondContact O-N 3.31Å; Q104-H106 PolarHBondContact O-ND1 3.22Å; H106-K108 PolarHBondContact O-N 3.08Å; H106-K108 VanDerWaalsContact O-N 3.14Å | ||
| 107 | R | 35.9 | Very low | 37.6 | Very low | 229 Ų | 229 | 146.3 Ų | 146.3 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -56.1 | 112.9 | 172.3 | -63.6 | -162.1 | 172.2 | -166 | -1 | 109.4 | T109 | R107-T109 PolarHBondContact O-N 3.39Š| ||
| 108 | K | 39.2 | Very low | 38.2 | Very low | 195 Ų | 195 | 145.8 Ų | 145.8 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -74.3 | 103.4 | 161.6 | -74.1 | 179.8 | 177.5 | 178.6 | 0 | 107.2 | H106 D110 | H106-K108 PolarHBondContact O-N 3.08Å; H106-K108 VanDerWaalsContact O-N 3.14Å; K108-D110 VanDerWaalsContact C-N 3.33Å; K108-D110 PolarHBondContact O-N 3.06Å; K108-D110 VanDerWaalsContact O-N 3.14Å | ||
| 109 | T | 36.8 | Very low | 38.6 | Very low | 119 Ų | 119 | 146.9 Ų | 146.9 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | trans | -76.8 | 91.7 | 165.4 | -46.1 | 0 | 0 | 0 | 0 | 107 | R107 C111 | R107-T109 PolarHBondContact O-N 3.39Å; T109-C111 PolarHBondContact O-N 3.09Å; T109-C111 VanDerWaalsContact O-N 3.11Å | ||
| 110 | D | 33.3 | Very low | 38.8 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -67.9 | 99.1 | 164 | -81.4 | -43.3 | 0 | 0 | 0 | 108.2 | K108 S112 | K108-D110 VanDerWaalsContact C-N 3.33Å; K108-D110 PolarHBondContact O-N 3.06Å; K108-D110 VanDerWaalsContact O-N 3.14Å; D110-S112 PolarHBondContact O-N 3.42Å | ||
| 111 | C | 35.2 | Very low | 39.3 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | -79 | 71.9 | 167.1 | -69 | 0 | 0 | 0 | 0 | 109.3 | T109 G113 | T109-C111 PolarHBondContact O-N 3.09Å; T109-C111 VanDerWaalsContact O-N 3.11Å; C111-G113 VanDerWaalsContact C-N 3.32Å; C111-G113 PolarHBondContact O-N 3.05Å; C111-G113 VanDerWaalsContact O-N 3.14Å | ||
| 112 | S | 38.5 | Very low | 39.6 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 90.8 | 156.5 | -76 | 0 | 0 | 0 | 0 | 108.2 | D110 Q114 | D110-S112 PolarHBondContact O-N 3.42Å; S112-Q114 PolarHBondContact O-N 2.99Å | ||
| 113 | G | 34.9 | Very low | 40.3 | Very low | 74 Ų | 74 | 146 Ų | 146 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -64.8 | 99.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | C111 N115 | C111-G113 VanDerWaalsContact C-N 3.32Å; C111-G113 PolarHBondContact O-N 3.05Å; C111-G113 VanDerWaalsContact O-N 3.14Å; G113-N115 PolarHBondContact O-N 3.19Å | ||
| 114 | Q | 42.2 | Very low | 40.9 | Very low | 179 Ų | 179 | 147.6 Ų | 147.6 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -64.2 | 121.5 | 170.7 | -70.1 | -166.5 | -35.4 | 0 | 0 | 109.6 | S112 K116 | S112-Q114 PolarHBondContact O-N 2.99Å; Q114-K116 PolarHBondContact O-N 2.99Å | ||
| 115 | N | 42.1 | Very low | 41.9 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | -64.7 | 110.5 | 166.1 | -102.4 | -49.3 | 0 | 0 | 0 | 109.4 | G113 | G113-N115 PolarHBondContact O-N 3.19Š| ||
| 116 | K | 47.5 | Very low | 42.8 | Very low | 190 Ų | 190 | 149.5 Ų | 149.5 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -111.7 | 102.6 | 155.6 | -95.9 | -174.6 | 174.9 | -179.8 | 0 | 108.1 | Q114 | Q114-K116 PolarHBondContact O-N 2.99Š| ||
| 117 | S | 45.4 | Very low | 43.3 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -77.4 | 113.4 | 165.4 | 168.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 118 | I | 47.5 | Very low | 45 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | -141.5 | 106.3 | 163.4 | -73.8 | -177.6 | 0 | 0 | 0 | 107.1 | ||||
| 119 | F | 42.5 | Very low | 46.8 | Very low | 208 Ų | 208 | 137.7 Ų | 137.7 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | trans | 31.9 | 124.2 | 158.1 | -66.1 | -86.6 | 0 | 0 | 0 | 121.3 | ||||
| 120 | G | 35.2 | Very low | 49.1 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | trans | 174.3 | 88 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S122 | G120-S122 PolarHBondContact O-N 3.01Š| ||
| 121 | D | 45.7 | Very low | 51.6 | Low | 157 Ų | 157 | 133.1 Ų | 133.1 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -61.2 | 117.7 | 164.9 | -178 | 36.1 | 0 | 0 | 0 | 109.1 | ||||
| 122 | S | 41.9 | Very low | 54 | Low | 95 Ų | 95 | 133.5 Ų | 133.5 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | -160.9 | 104.2 | 168.1 | -72.9 | 0 | 0 | 0 | 0 | 107.8 | G120 D124 | G120-S122 PolarHBondContact O-N 3.01Å; S122-D124 PolarHBondContact O-N 3.21Å | ||
| 123 | E | 52.1 | Low | 56.4 | Low | 175 Ų | 175 | 133.2 Ų | 133.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -62.2 | 76.6 | 163.9 | -74.6 | -154.8 | 118.4 | 0 | 0 | 110.3 | Q125 | E123-Q125 PolarHBondContact O-N 3.01Š| ||
| 124 | D | 52.6 | Low | 58.9 | Low | 145 Ų | 145 | 139.1 Ų | 139.1 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | -88.9 | 85.6 | 163.9 | -89.4 | -48.4 | 0 | 0 | 0 | 108.4 | S122 K126 | S122-D124 PolarHBondContact O-N 3.21Å; D124-K126 PolarHBondContact O-N 3.34Å | ||
| 125 | Q | 56.8 | Low | 61 | Low | 169 Ų | 169 | 134.9 Ų | 134.9 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | trans | -60.1 | 84.1 | 160.6 | -75.8 | -173.8 | 66.4 | 0 | 0 | 108.6 | E123 P127 | E123-Q125 PolarHBondContact O-N 3.01Å; Q125-P127 WeakPolarHBondContact O-CD 3.46Å; Q125-P127 VanDerWaalsContact O-N 3.12Å | ||
| 126 | K | 52.3 | Low | 63 | Low | 187 Ų | 187 | 132.3 Ų | 132.3 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | trans | -57.3 | 117.2 | 168.8 | -168.7 | 174 | -171.7 | 176.3 | 0 | 106.9 | D124 S128 | D124-K126 PolarHBondContact O-N 3.34Å; K126-S128 PolarHBondContact O-N 3.29Å | ||
| 127 | P | 52.3 | Low | 64.5 | Low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | trans | -60.5 | 111.9 | 179.5 | 23.2 | -31.4 | 0 | 0 | 0 | 107.1 | Q125 T129 | Q125-P127 WeakPolarHBondContact O-CD 3.46Å; Q125-P127 VanDerWaalsContact O-N 3.12Å; P127-T129 PolarHBondContact O-N 3.05Å | ||
| 128 | S | 70.5 | Confident | 65.4 | Low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 70% | 0.696 | S | S | * | * | trans | -62.1 | 107.9 | 179.2 | 80.4 | 0 | 0 | 0 | 0 | 106.5 | K126 P130 | K126-S128 PolarHBondContact O-N 3.29Å; S128-P130 WeakPolarHBondContact O-CD 3.35Å; S128-P130 VanDerWaalsContact O-N 3.1Å | ||
| 129 | T | 78.3 | Confident | 65.9 | Low | 113 Ų | 113 | 132.9 Ų | 132.9 | 69% | 0.693 | 69% | 0.693 | S | S | * | * | trans | -55.8 | 121.9 | 178.4 | -49.6 | 0 | 0 | 0 | 0 | 107.6 | P127 V131 | P127-T129 PolarHBondContact O-N 3.05Å; T129-V131 PolarHBondContact O-N 3.36Å; T129-V131 VanDerWaalsContact O-N 3.09Å | ||
| 130 | P | 83.8 | Confident | 66.6 | Low | 74 Ų | 74 | 127.6 Ų | 127.6 | 48% | 0.481 | 68% | 0.682 | S | S | . | * | trans | -62.7 | 119.7 | -175.7 | 24.3 | -33.1 | 0 | 0 | 0 | 108.8 | S128 Y132 | S128-P130 WeakPolarHBondContact O-CD 3.35Å; S128-P130 VanDerWaalsContact O-N 3.1Å; P130-Y132 HydrophobicContact CG-CE1 4.46Å; P130-Y132 HydrophobicContact CG-CE2 4.46Å; P130-Y132 WeakPolarHBondContact O-CD2 3.35Å; P130-Y132 WeakPolarHBondContact O-CE2 3.42Å; P130-Y132 PolarHBondContact O-N 3.21Å; P130-Y132 VanDerWaalsContact O-N 3.14Å | ||
| 131 | V | 85.3 | Confident | 67.1 | Low | 90 Ų | 90 | 129.8 Ų | 129.8 | 55% | 0.545 | 68% | 0.684 | S | S | . | * | trans | -76 | 104.4 | 175.4 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | T129 M135 Q136 | T129-V131 PolarHBondContact O-N 3.36Å; T129-V131 VanDerWaalsContact O-N 3.09Å; V131-M135 HydrophobicContact CG1-CB 3.87Å; V131-Q136 HydrophobicContact CG1-CG 3.83Å | ||
| 132 | Y | 87.2 | Confident | 67.4 | Low | 125 Ų | 125 | 130 Ų | 130 | 49% | 0.49 | 69% | 0.685 | S | S | . | * | trans | -66.4 | 150.8 | 178.4 | -60 | -76.5 | 0 | 0 | 0 | 111.3 | P130 W134 M135 Q136 | P130-Y132 HydrophobicContact CG-CE1 4.46Å; P130-Y132 HydrophobicContact CG-CE2 4.46Å; P130-Y132 WeakPolarHBondContact O-CD2 3.35Å; P130-Y132 WeakPolarHBondContact O-CE2 3.42Å; P130-Y132 PolarHBondContact O-N 3.21Å; P130-Y132 VanDerWaalsContact O-N 3.14Å; Y132-W134 VanDerWaalsContact CB-NE1 3.27Å; Y132-W134 HydrophobicContact CD2-CZ2 4.43Å; Y132-W134 AromaticContact CG-NE1 3.83Å; Y132-W134 PolarHBondContact O-N 3.36Å; Y132-M135 HydrophobicContact CD2-SD 3.66Å; Y132-M135 HydrophobicContact CG-SD 4.44Å; Y132-M135 WeakPolarHBondContact O-CA 3.44Å; Y132-M135 WeakPolarHBondContact O-CB 3.16Å; Y132-M135 PolarHBondContact O-N 2.82Å; Y132-Q136 PolarHBondContact O-N 2.8Å | ||
| 133 | P | 87.4 | Confident | 67.9 | Low | 99 Ų | 99 | 128.9 Ų | 128.9 | 64% | 0.643 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -29.2 | -177 | -30 | 36.2 | 0 | 0 | 0 | 115.5 | Q136 | P133-Q136 PolarHBondContact O-N 3.43Š|
| 134 | W | 88.1 | Confident | 67.6 | Low | 198 Ų | 198 | 126.4 Ų | 126.4 | 75% | 0.75 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -22.7 | 176.4 | 64.4 | -95.9 | 0 | 0 | 0 | 113.9 | Y132 Q136 | Y132-W134 VanDerWaalsContact CB-NE1 3.27Å; Y132-W134 HydrophobicContact CD2-CZ2 4.43Å; Y132-W134 AromaticContact CG-NE1 3.83Å; Y132-W134 PolarHBondContact O-N 3.36Å; W134-Q136 VanDerWaalsContact C-N 3.27Å |
| 135 | M | 87.1 | Confident | 67.5 | Low | 90 Ų | 90 | 129.9 Ų | 129.9 | 44% | 0.443 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.9 | -19.4 | 176 | -62.7 | 178.3 | 72.5 | 0 | 0 | 111.5 | V131 Y132 R137 | V131-M135 HydrophobicContact CG1-CB 3.87Å; Y132-M135 HydrophobicContact CD2-SD 3.66Å; Y132-M135 HydrophobicContact CG-SD 4.44Å; Y132-M135 WeakPolarHBondContact O-CA 3.44Å; Y132-M135 WeakPolarHBondContact O-CB 3.16Å; Y132-M135 PolarHBondContact O-N 2.82Å; M135-R137 PolarHBondContact O-N 3.46Å |
| 136 | Q | 82.6 | Confident | 67.1 | Low | 113 Ų | 113 | 125.2 Ų | 125.2 | 53% | 0.528 | 69% | 0.692 | S | S | . | * | S | Bend | trans | -71.5 | 116.8 | 176.5 | -60 | -178.8 | -9.2 | 0 | 0 | 108.5 | V131 Y132 P133 W134 M138 | V131-Q136 HydrophobicContact CG1-CG 3.83Å; Y132-Q136 PolarHBondContact O-N 2.8Å; P133-Q136 PolarHBondContact O-N 3.43Å; W134-Q136 VanDerWaalsContact C-N 3.27Å; Q136-M138 PolarHBondContact O-N 3.3Å |
| 137 | R | 80.8 | Confident | 67 | Low | 161 Ų | 161 | 123.1 Ų | 123.1 | 61% | 0.608 | 69% | 0.69 | S | S | * | * | trans | -66.3 | 110.8 | 171.8 | -64.3 | -173.3 | -153.9 | 157.6 | 7.6 | 107.9 | M135 N139 S140 | M135-R137 PolarHBondContact O-N 3.46Å; R137-N139 PolarHBondContact O-N 3.14Å; R137-S140 PolarHBondContact O-N 3.34Å | ||
| 138 | M | 63.8 | Low | 67.1 | Low | 173 Ų | 173 | 123.3 Ų | 123.3 | 85% | 0.852 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 24.5 | 174 | -75.8 | 108.5 | 78.2 | 0 | 0 | 114.7 | Q136 | Q136-M138 PolarHBondContact O-N 3.3Š|
| 139 | N | 58.7 | Low | 66.4 | Low | 125 Ų | 125 | 120.8 Ų | 120.8 | 67% | 0.668 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.6 | -4.8 | -176.3 | -41.8 | 70 | 0 | 0 | 0 | 112.4 | R137 C141 | R137-N139 PolarHBondContact O-N 3.14Å; N139-C141 PolarHBondContact O-N 3Å |
| 140 | S | 56.4 | Low | 65.6 | Low | 96 Ų | 96 | 124.6 Ų | 124.6 | 67% | 0.671 | 68% | 0.684 | S | S | * | * | trans | -90.1 | 79.6 | 172.7 | -76.8 | 0 | 0 | 0 | 0 | 109 | R137 | R137-S140 PolarHBondContact O-N 3.34Š| ||
| 141 | C | 45 | Very low | 65.1 | Low | 121 Ų | 121 | 132.1 Ų | 132.1 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -82.7 | 118.3 | 162.9 | 53.9 | 0 | 0 | 0 | 0 | 109.3 | N139 | N139-C141 PolarHBondContact O-N 3Š| ||
| 142 | N | 52.8 | Low | 64.9 | Low | 160 Ų | 160 | 131.3 Ų | 131.3 | 86% | 0.856 | 71% | 0.713 | S | S | * | * | trans | 27.3 | 112.7 | 148.5 | -95.7 | 16.7 | 0 | 0 | 0 | 119.7 | ||||
| 143 | G | 51.8 | Low | 65 | Low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | 53.4 | 70.3 | 121.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 144 | T | 45.8 | Very low | 65.3 | Low | 123 Ų | 123 | 139.2 Ų | 139.2 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 177.6 | 126.3 | 131.3 | 20.6 | 0 | 0 | 0 | 0 | 107.5 | G146 | T144-G146 PolarHBondContact O-N 3.24Š|
| 145 | F | 50 | Low | 65.7 | Low | 217 Ų | 217 | 134.9 Ų | 134.9 | 95% | 0.952 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 2.5 | 100.2 | 169.1 | -52 | -84.2 | 0 | 0 | 0 | 116.8 | ||
| 146 | G | 48.7 | Very low | 66.2 | Low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | trans | 166.5 | 75.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | T144 | T144-G146 PolarHBondContact O-N 3.24Š| ||
| 147 | N | 51.1 | Low | 66.9 | Low | 143 Ų | 143 | 132.1 Ų | 132.1 | 77% | 0.765 | 72% | 0.72 | S | S | * | * | trans | 68.7 | 130.9 | 157.1 | -124.5 | -68.4 | 0 | 0 | 0 | 118.3 | G149 | N147-G149 PolarHBondContact O-N 3.12Š| ||
| 148 | P | 54.7 | Low | 67.8 | Low | 115 Ų | 115 | 134.5 Ų | 134.5 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | trans | -70.9 | 64.6 | 164.3 | 32.2 | -35.3 | 0 | 0 | 0 | 110.3 | R150 | P148-R150 VanDerWaalsContact C-N 3.29Å; P148-R150 PolarHBondContact O-N 2.67Å | ||
| 149 | G | 54.5 | Low | 69.4 | Low | 57 Ų | 57 | 132.7 Ų | 132.7 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | trans | -71.1 | 78.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N147 R151 | N147-G149 PolarHBondContact O-N 3.12Å; G149-R151 PolarHBondContact O-N 2.86Å | ||
| 150 | R | 62.5 | Low | 71.4 | Confident | 193 Ų | 193 | 128 Ų | 128 | 73% | 0.728 | 69% | 0.688 | S | S | * | * | trans | -55.1 | 113.7 | 150.5 | -61.9 | -149.3 | -158.1 | -94.2 | 9.6 | 105.6 | P148 G152 | P148-R150 VanDerWaalsContact C-N 3.29Å; P148-R150 PolarHBondContact O-N 2.67Å; R150-G152 PolarHBondContact O-N 3.08Å | ||
| 151 | R | 73.6 | Confident | 73.4 | Confident | 231 Ų | 231 | 125.8 Ų | 125.8 | 87% | 0.872 | 67% | 0.671 | S | S | * | * | trans | -52.3 | 108.7 | 171.7 | -66.5 | -176.7 | -138.5 | -174.5 | 4.5 | 106.8 | G149 R153 | G149-R151 PolarHBondContact O-N 2.86Å; R151-R153 PolarHBondContact O-N 3.45Å | ||
| 152 | G | 80.4 | Confident | 75.9 | Confident | 74 Ų | 74 | 124.7 Ų | 124.7 | 76% | 0.763 | 66% | 0.656 | S | S | * | * | trans | -55.7 | 127.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | R150 Q154 | R150-G152 PolarHBondContact O-N 3.08Å; G152-Q154 PolarHBondContact O-N 3.33Å | ||
| 153 | R | 89.3 | Confident | 78.1 | Confident | 237 Ų | 237 | 119.4 Ų | 119.4 | 89% | 0.894 | 63% | 0.626 | S | S | * | * | trans | -73.8 | 113.2 | 173.1 | -73.4 | -178.8 | 178.4 | -87.7 | 1.7 | 107.1 | R151 T155 | R151-R153 PolarHBondContact O-N 3.45Å; R153-T155 PolarHBondContact O-N 3.24Å | ||
| 154 | Q | 93.2 | Very high | 80.3 | Confident | 152 Ų | 152 | 115.9 Ų | 115.9 | 71% | 0.71 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 130.8 | 167.8 | -175.6 | 56.6 | 48.4 | 0 | 0 | 109.2 | G152 | G152-Q154 PolarHBondContact O-N 3.33Š|
| 155 | T | 96.1 | Very high | 82.8 | Confident | 108 Ų | 108 | 112.2 Ų | 112.2 | 66% | 0.663 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 145.2 | 171.3 | 54.3 | 0 | 0 | 0 | 0 | 109.9 | R153 | R153-T155 PolarHBondContact O-N 3.24Š|
| 156 | Y | 98.3 | Very high | 85.1 | Confident | 68 Ų | 68 | 107.6 Ų | 107.6 | 27% | 0.267 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -78 | 147.4 | 172.6 | -59 | -48.1 | 0 | 0 | 0 | 110.1 | L188 W196 | Y156-L188 HydrophobicContact CD1-CD1 4.08Å; Y156-L188 HydrophobicContact CD1-CD2 3.85Å; Y156-L188 HydrophobicContact CE1-CD1 3.98Å; Y156-L188 HydrophobicContact CE1-CD2 3.65Å; Y156-L188 HydrophobicContact CE1-CG 4.49Å; Y156-W196 AromaticContact CD2-CD1 3.86Å; Y156-W196 AromaticContact CE2-CD1 3.59Å |
| 157 | T | 98.6 | Very high | 87.5 | Confident | 76 Ų | 76 | 104.9 Ų | 104.9 | 47% | 0.466 | 51% | 0.512 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 164.8 | 175 | 73.4 | 0 | 0 | 0 | 0 | 110.8 | Y159 Q160 T161 | T157-Y159 VanDerWaalsContact C-N 3.31Å; T157-Y159 PolarHBondContact O-N 3.29Å; T157-Q160 PolarHBondContact O-N 3.3Å; T157-Q160 VanDerWaalsContact OG1-CG 3.31Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.31Å; T157-Q160 PolarHBondContact OG1-N 3.44Å; T157-T161 PolarHBondContact O-N 3.48Å; T157-T161 PolarHBondContact O-OG1 2.93Å |
| 158 | R | 98.4 | Very high | 89.8 | Confident | 212 Ų | 212 | 98.2 Ų | 98.2 | 80% | 0.8 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.5 | -45.7 | 174.7 | -174 | 177.9 | -179.1 | -161.7 | 0.4 | 111.4 | T161 L162 | R158-T161 PolarHBondContact O-N 3.03Å; R158-L162 HydrophobicContact CG-CD1 4.1Å; R158-L162 WeakPolarHBondContact O-CG 3.35Å; R158-L162 PolarHBondContact O-N 3.44Å |
| 159 | Y | 98.6 | Very high | 91.9 | Very high | 135 Ų | 135 | 98.7 Ų | 98.7 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 178.2 | 174.1 | -106.7 | 0 | 0 | 0 | 112.1 | T157 T161 L162 E163 L186 | T157-Y159 VanDerWaalsContact C-N 3.31Å; T157-Y159 PolarHBondContact O-N 3.29Å; Y159-T161 VanDerWaalsContact C-N 3.29Å; Y159-T161 PolarHBondContact O-N 3.33Å; Y159-L162 PolarHBondContact O-N 2.95Å; Y159-E163 HydrophobicContact CD2-CG 4.35Å; Y159-E163 HydrophobicContact CE1-CG 4.38Å; Y159-E163 HydrophobicContact CE2-CG 3.76Å; Y159-E163 PolarHBondContact O-N 3.38Å; Y159-L186 HydrophobicContact CD1-CD2 4.14Å; Y159-L186 HydrophobicContact CE1-CD2 3.61Å |
| 160 | Q | 98.6 | Very high | 93.9 | Very high | 26 Ų | 26 | 104.1 Ų | 104.1 | 12% | 0.121 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 177.6 | -72.2 | 173.5 | -28.2 | 0 | 0 | 111.7 | T157 L164 L186 | T157-Q160 PolarHBondContact O-N 3.3Å; T157-Q160 VanDerWaalsContact OG1-CG 3.31Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.31Å; T157-Q160 PolarHBondContact OG1-N 3.44Å; Q160-L164 WeakPolarHBondContact O-CB 3.21Å; Q160-L164 WeakPolarHBondContact O-CD1 3.46Å; Q160-L164 WeakPolarHBondContact O-CG 3.35Å; Q160-L164 PolarHBondContact O-N 3.44Å; Q160-L164 VanDerWaalsContact O-N 3.08Å; Q160-L186 HydrophobicContact CG-CB 4.28Å; Q160-L186 PolarHBondContact NE2-O 3.32Å |
| 161 | T | 98.6 | Very high | 95.6 | Very high | 50 Ų | 50 | 98.4 Ų | 98.4 | 31% | 0.307 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 179.6 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | T157 R158 Y159 L164 E165 | T157-T161 PolarHBondContact O-N 3.48Å; T157-T161 PolarHBondContact O-OG1 2.93Å; R158-T161 PolarHBondContact O-N 3.03Å; Y159-T161 VanDerWaalsContact C-N 3.29Å; Y159-T161 PolarHBondContact O-N 3.33Å; T161-L164 PolarHBondContact O-N 3.46Å; T161-E165 HydrophobicContact CG2-CG 4.49Å; T161-E165 WeakPolarHBondContact O-CG 3.32Å; T161-E165 PolarHBondContact O-N 2.97Å |
| 162 | L | 98.6 | Very high | 96.8 | Very high | 98 Ų | 98 | 92.4 Ų | 92.4 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.8 | -46.1 | -179.6 | -72 | 172.7 | 0 | 0 | 0 | 112.5 | R158 Y159 L164 E165 K166 | R158-L162 HydrophobicContact CG-CD1 4.1Å; R158-L162 WeakPolarHBondContact O-CG 3.35Å; R158-L162 PolarHBondContact O-N 3.44Å; Y159-L162 PolarHBondContact O-N 2.95Å; L162-L164 VanDerWaalsContact C-N 3.31Å; L162-L164 PolarHBondContact O-N 2.9Å; L162-E165 PolarHBondContact O-N 3.42Å; L162-K166 VanDerWaalsContact O-CB 3.32Å; L162-K166 WeakPolarHBondContact O-CB 3.36Å; L162-K166 PolarHBondContact O-N 2.83Å |
| 163 | E | 98.6 | Very high | 97.6 | Very high | 48 Ų | 48 | 95.8 Ų | 95.8 | 22% | 0.224 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 177.2 | -72.3 | -59.5 | 132.5 | 0 | 0 | 111.7 | Y159 K166 E167 L186 | Y159-E163 HydrophobicContact CD2-CG 4.35Å; Y159-E163 HydrophobicContact CE1-CG 4.38Å; Y159-E163 HydrophobicContact CE2-CG 3.76Å; Y159-E163 PolarHBondContact O-N 3.38Å; E163-K166 PolarHBondContact O-N 3.08Å; E163-K166 IonicContact OE1-NZ 2.84Å; E163-K166 PolarHBondContact OE1-NZ 3.08Å; E163-K166 IonicContact OE2-NZ 2.97Å; E163-K166 PolarHBondContact OE2-NZ 3.48Å; E163-E167 WeakPolarHBondContact O-CB 3.34Å; E163-E167 VanDerWaalsContact O-CG 3.31Å; E163-E167 WeakPolarHBondContact O-CG 3.36Å; E163-E167 PolarHBondContact O-N 2.91Å; E163-L186 HydrophobicContact CB-CD1 4.09Å; E163-L186 HydrophobicContact CB-CD2 3.79Å; E163-L186 HydrophobicContact CB-CG 4.49Å; E163-L186 HydrophobicContact CG-CD2 4.03Å |
| 164 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65 | -42.3 | 174.7 | -71.8 | 167.9 | 0 | 0 | 0 | 112.7 | Q160 T161 L162 F168 I182 L186 L188 I193 W196 F197 | Q160-L164 WeakPolarHBondContact O-CB 3.21Å; Q160-L164 WeakPolarHBondContact O-CD1 3.46Å; Q160-L164 WeakPolarHBondContact O-CG 3.35Å; Q160-L164 PolarHBondContact O-N 3.44Å; Q160-L164 VanDerWaalsContact O-N 3.08Å; T161-L164 PolarHBondContact O-N 3.46Å; L162-L164 VanDerWaalsContact C-N 3.31Å; L162-L164 PolarHBondContact O-N 2.9Å; L164-F168 WeakPolarHBondContact O-CB 3.14Å; L164-F168 PolarHBondContact O-N 3.32Å; L164-I182 HydrophobicContact CD2-CG2 4.22Å; L164-L186 HydrophobicContact CD1-CD1 4.45Å; L164-L186 HydrophobicContact CD2-CD1 3.97Å; L164-L186 HydrophobicContact CG-CD1 3.77Å; L164-L188 HydrophobicContact CD1-CD1 4.3Å; L164-I193 HydrophobicContact CD2-CD1 3.78Å; L164-W196 VanDerWaalsContact C-CH2 3.49Å; L164-W196 HydrophobicContact CB-CD2 3.9Å; L164-W196 HydrophobicContact CB-CE3 3.91Å; L164-W196 HydrophobicContact CB-CH2 3.63Å; L164-W196 HydrophobicContact CB-CZ2 3.58Å; L164-W196 HydrophobicContact CB-CZ3 3.78Å; L164-W196 HydrophobicContact CD1-CD2 3.84Å; L164-W196 HydrophobicContact CD1-CG 3.82Å; L164-W196 HydrophobicContact CD2-CD2 4.3Å; L164-W196 HydrophobicContact CD2-CE3 4.22Å; L164-W196 HydrophobicContact CG-CD2 4.24Å; L164-W196 HydrophobicContact CG-CE3 4.45Å; L164-W196 WeakPolarHBondContact O-CH2 3.4Å; L164-W196 WeakPolarHBondContact O-CZ3 3.28Å; L164-F197 HydrophobicContact CD2-CE2 4.07Å |
| 165 | E | 98.6 | Very high | 98.3 | Very high | 46 Ų | 46 | 83 Ų | 83 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 175.6 | -70.7 | -69.3 | 171.4 | 0 | 0 | 111.3 | T161 L162 E167 F168 H169 W196 R200 | T161-E165 HydrophobicContact CG2-CG 4.49Å; T161-E165 WeakPolarHBondContact O-CG 3.32Å; T161-E165 PolarHBondContact O-N 2.97Å; L162-E165 PolarHBondContact O-N 3.42Å; E165-E167 PolarHBondContact O-N 3.2Å; E165-F168 WeakPolarHBondContact O-CB 3.31Å; E165-F168 PolarHBondContact O-N 3.26Å; E165-F168 VanDerWaalsContact O-N 3.12Å; E165-H169 PolarHBondContact O-CD2 3.32Å; E165-H169 PolarHBondContact O-N 3.03Å; E165-W196 HydrophobicContact CG-CH2 4.08Å; E165-W196 HydrophobicContact CG-CZ2 4.09Å; E165-R200 IonicContact OE1-NE 2.86Å; E165-R200 PolarHBondContact OE1-NE 2.95Å; E165-R200 IonicContact OE2-CZ 3.9Å; E165-R200 IonicContact OE2-NE 3.36Å; E165-R200 PolarHBondContact OE2-NE 2.59Å; E165-R200 IonicContact OE2-NH2 2.67Å; E165-R200 PolarHBondContact OE2-NH2 2.99Å |
| 166 | K | 98.6 | Very high | 98.4 | Very high | 119 Ų | 119 | 84.4 Ų | 84.4 | 52% | 0.517 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -56.1 | -48.8 | 175 | 174.8 | -175.7 | 161.5 | -158 | 0 | 111.6 | L162 E163 F168 H169 F170 | L162-K166 VanDerWaalsContact O-CB 3.32Å; L162-K166 WeakPolarHBondContact O-CB 3.36Å; L162-K166 PolarHBondContact O-N 2.83Å; E163-K166 PolarHBondContact O-N 3.08Å; E163-K166 IonicContact OE1-NZ 2.84Å; E163-K166 PolarHBondContact OE1-NZ 3.08Å; E163-K166 IonicContact OE2-NZ 2.97Å; E163-K166 PolarHBondContact OE2-NZ 3.48Å; K166-F168 VanDerWaalsContact C-N 3.32Å; K166-F168 PolarHBondContact O-N 2.89Å; K166-H169 PolarHBondContact O-N 2.99Å; K166-F170 PolarHBondContact O-N 3.07Å; K166-F170 VanDerWaalsContact O-N 3.08Å |
| 167 | E | 98.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 90 Ų | 90 | 7% | 0.07 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 176.1 | -72.7 | -65.6 | 135.9 | 0 | 0 | 112.2 | E163 E165 H169 F170 N171 R178 I182 F197 | E163-E167 WeakPolarHBondContact O-CB 3.34Å; E163-E167 VanDerWaalsContact O-CG 3.31Å; E163-E167 WeakPolarHBondContact O-CG 3.36Å; E163-E167 PolarHBondContact O-N 2.91Å; E165-E167 PolarHBondContact O-N 3.2Å; E167-H169 VanDerWaalsContact C-N 3.35Å; E167-H169 PolarHBondContact O-N 3.22Å; E167-F170 PolarHBondContact O-N 2.82Å; E167-N171 PolarHBondContact O-N 2.74Å; E167-R178 IonicContact OE1-CZ 3.43Å; E167-R178 IonicContact OE1-NE 3.12Å; E167-R178 IonicContact OE1-NH2 3.41Å; E167-R178 PolarHBondContact OE1-NH2 2.78Å; E167-R178 IonicContact OE2-CZ 2.93Å; E167-R178 IonicContact OE2-NE 3.67Å; E167-R178 PolarHBondContact OE2-NE 3.12Å; E167-R178 IonicContact OE2-NH2 3.82Å; E167-R178 PolarHBondContact OE2-NH2 3.44Å; E167-R178 VanDerWaalsContact OE2-NH2 3.12Å; E167-I182 HydrophobicContact CB-CD1 4.08Å; E167-I182 HydrophobicContact CG-CD1 3.68Å; E167-I182 HydrophobicContact CG-CG1 4.13Å; E167-F197 HydrophobicContact CB-CZ 4.06Å |
| 168 | F | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 90.6 Ų | 90.6 | 1% | 0.013 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 177.4 | -176.5 | -101.1 | 0 | 0 | 0 | 112.8 | L164 E165 K166 N171 R172 W196 F197 R200 R201 W204 | L164-F168 WeakPolarHBondContact O-CB 3.14Å; L164-F168 PolarHBondContact O-N 3.32Å; E165-F168 WeakPolarHBondContact O-CB 3.31Å; E165-F168 PolarHBondContact O-N 3.26Å; E165-F168 VanDerWaalsContact O-N 3.12Å; K166-F168 VanDerWaalsContact C-N 3.32Å; K166-F168 PolarHBondContact O-N 2.89Å; F168-N171 CarbonylContact O-C 3.24Å; F168-N171 VanDerWaalsContact O-C 3.24Å; F168-R172 HydrophobicContact CE1-CG 4.29Å; F168-R172 HydrophobicContact CE2-CB 4.03Å; F168-R172 HydrophobicContact CE2-CG 4.16Å; F168-R172 HydrophobicContact CZ-CB 4.26Å; F168-R172 HydrophobicContact CZ-CG 3.93Å; F168-R172 PolarHBondContact O-N 2.83Å; F168-W196 HydrophobicContact CB-CH2 4.34Å; F168-W196 HydrophobicContact CB-CZ3 4.07Å; F168-F197 HydrophobicContact CB-CE1 4.22Å; F168-F197 HydrophobicContact CB-CZ 4.34Å; F168-F197 AromaticContact CD2-CD1 3.96Å; F168-F197 HydrophobicContact CD2-CD1 3.96Å; F168-F197 AromaticContact CD2-CE1 3.9Å; F168-F197 HydrophobicContact CD2-CE1 3.9Å; F168-R200 HydrophobicContact CB-CG 4.38Å; F168-R200 HydrophobicContact CD1-CG 3.69Å; F168-R200 HydrophobicContact CD2-CB 4.25Å; F168-R200 HydrophobicContact CD2-CG 3.59Å; F168-R200 HydrophobicContact CE1-CG 3.78Å; F168-R200 HydrophobicContact CE2-CB 4.25Å; F168-R200 HydrophobicContact CE2-CG 3.69Å; F168-R200 HydrophobicContact CG-CG 3.59Å; F168-R200 HydrophobicContact CZ-CG 3.78Å; F168-R201 HydrophobicContact CE2-CG 3.72Å; F168-R201 HydrophobicContact CZ-CG 4.21Å; F168-W204 HydrophobicContact CE1-CB 4.27Å; F168-W204 HydrophobicContact CE1-CG 4.3Å; F168-W204 HydrophobicContact CZ-CB 4.07Å; F168-W204 HydrophobicContact CZ-CG 4.25Å |
| 169 | H | 98.1 | Very high | 98.4 | Very high | 124 Ų | 124 | 82.9 Ų | 82.9 | 57% | 0.574 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.2 | -40.5 | 173.6 | -76.8 | -65.7 | 0 | 0 | 0 | 111.8 | E165 K166 E167 | E165-H169 PolarHBondContact O-CD2 3.32Å; E165-H169 PolarHBondContact O-N 3.03Å; K166-H169 PolarHBondContact O-N 2.99Å; E167-H169 VanDerWaalsContact C-N 3.35Å; E167-H169 PolarHBondContact O-N 3.22Å |
| 170 | F | 98.3 | Very high | 98.4 | Very high | 171 Ų | 171 | 79.1 Ų | 79.1 | 75% | 0.75 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.6 | -50 | 174.8 | 179.6 | -103.9 | 0 | 0 | 0 | 111.7 | K166 E167 | K166-F170 PolarHBondContact O-N 3.07Å; K166-F170 VanDerWaalsContact O-N 3.08Å; E167-F170 PolarHBondContact O-N 2.82Å |
| 171 | N | 97.3 | Very high | 98.4 | Very high | 73 Ų | 73 | 81.2 Ų | 81.2 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | trans | -147 | 122.2 | 174.5 | -167.9 | -13.8 | 0 | 0 | 0 | 111.5 | E167 F168 Y173 | E167-N171 PolarHBondContact O-N 2.74Å; F168-N171 CarbonylContact O-C 3.24Å; F168-N171 VanDerWaalsContact O-C 3.24Å; N171-Y173 PolarHBondContact ND2-O 3.08Å; N171-Y173 VanDerWaalsContact ND2-O 3.08Å; N171-Y173 PolarHBondContact O-N 3.28Å; N171-Y173 VanDerWaalsContact O-N 3.1Å; N171-Y173 PolarHBondContact OD1-N 2.84Å; N171-Y173 PolarHBondContact OD1-O 3.28Å | ||
| 172 | R | 97.9 | Very high | 98.4 | Very high | 106 Ų | 106 | 79.3 Ų | 79.3 | 40% | 0.4 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -66.1 | -14.3 | -179.9 | -68.2 | 159.2 | 170.3 | 74.7 | -7.6 | 113 | F168 R201 | F168-R172 HydrophobicContact CE1-CG 4.29Å; F168-R172 HydrophobicContact CE2-CB 4.03Å; F168-R172 HydrophobicContact CE2-CG 4.16Å; F168-R172 HydrophobicContact CZ-CB 4.26Å; F168-R172 HydrophobicContact CZ-CG 3.93Å; F168-R172 PolarHBondContact O-N 2.83Å; R172-R201 WeakPolarHBondContact O-CD 3.46Å |
| 173 | Y | 98.4 | Very high | 98.4 | Very high | 144 Ų | 144 | 74.9 Ų | 74.9 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -132.8 | 136.6 | -179.2 | -65.2 | -102.4 | 0 | 0 | 0 | 110.6 | N171 | N171-Y173 PolarHBondContact ND2-O 3.08Å; N171-Y173 VanDerWaalsContact ND2-O 3.08Å; N171-Y173 PolarHBondContact O-N 3.28Å; N171-Y173 VanDerWaalsContact O-N 3.1Å; N171-Y173 PolarHBondContact OD1-N 2.84Å; N171-Y173 PolarHBondContact OD1-O 3.28Å |
| 174 | L | 98.4 | Very high | 98.4 | Very high | 32 Ų | 32 | 79.5 Ų | 79.5 | 17% | 0.168 | 35% | 0.349 | C | S | . | . | trans | -100.9 | 139.3 | 179.1 | -63.5 | -179.9 | 0 | 0 | 0 | 112.4 | R178 R179 I182 I193 F197 | L174-R178 HydrophobicContact CD2-CB 4.49Å; L174-R178 HydrophobicContact CD2-CG 3.9Å; L174-R179 HydrophobicContact CD1-CB 4.48Å; L174-I182 HydrophobicContact CD1-CD1 3.93Å; L174-I182 HydrophobicContact CD2-CD1 3.89Å; L174-I193 HydrophobicContact CD1-CG2 3.54Å; L174-F197 HydrophobicContact CD1-CD1 4.14Å; L174-F197 HydrophobicContact CD1-CD2 3.6Å; L174-F197 HydrophobicContact CD1-CE1 3.95Å; L174-F197 HydrophobicContact CD1-CE2 3.41Å; L174-F197 VanDerWaalsContact CD1-CE2 3.41Å; L174-F197 HydrophobicContact CD1-CG 3.98Å; L174-F197 HydrophobicContact CD1-CZ 3.59Å; L174-F197 HydrophobicContact CD2-CE1 3.8Å; L174-F197 HydrophobicContact CD2-CE2 4.42Å; L174-F197 HydrophobicContact CD2-CZ 3.73Å; L174-F197 HydrophobicContact CG-CD1 3.81Å; L174-F197 HydrophobicContact CG-CD2 4.21Å; L174-F197 HydrophobicContact CG-CE1 3.53Å; L174-F197 HydrophobicContact CG-CE2 3.99Å; L174-F197 HydrophobicContact CG-CG 4.14Å; L174-F197 HydrophobicContact CG-CZ 3.64Å | ||
| 175 | T | 98.6 | Very high | 98.4 | Very high | 88 Ų | 88 | 82.8 Ų | 82.8 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | trans | -71.4 | 169.7 | 163.8 | 66.4 | 0 | 0 | 0 | 0 | 110.8 | R178 R179 | T175-R178 WeakPolarHBondContact OG1-CB 3.46Å; T175-R178 PolarHBondContact OG1-N 3.34Å; T175-R179 WeakPolarHBondContact O-CB 3.36Å; T175-R179 PolarHBondContact O-N 3.29Å | ||
| 176 | R | 98.4 | Very high | 98.4 | Very high | 138 Ų | 138 | 81 Ų | 81 | 52% | 0.521 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.9 | -51.8 | 175.2 | -179.3 | 67.8 | 176.9 | 81.7 | 0.2 | 110.9 | R178 R179 I180 E190 | R176-R178 PolarHBondContact O-N 2.92Å; R176-R179 WeakPolarHBondContact O-CB 3.49Å; R176-R179 PolarHBondContact O-N 2.98Å; R176-I180 PolarHBondContact O-N 3.5Å; R176-E190 IonicContact CZ-OE1 3.49Å; R176-E190 VanDerWaalsContact CZ-OE1 3.23Å; R176-E190 IonicContact CZ-OE2 3.23Å; R176-E190 IonicContact NE-OE2 3.3Å; R176-E190 IonicContact NH1-OE1 3.3Å; R176-E190 PolarHBondContact NH1-OE1 3.11Å; R176-E190 IonicContact NH1-OE2 2.89Å; R176-E190 PolarHBondContact NH1-OE2 3.04Å; R176-E190 IonicContact NH2-OE1 2.78Å; R176-E190 PolarHBondContact NH2-OE1 3.22Å; R176-E190 IonicContact NH2-OE2 2.83Å; R176-E190 PolarHBondContact NH2-OE2 2.87Å |
| 177 | R | 98.4 | Very high | 98.4 | Very high | 187 Ų | 187 | 80.8 Ų | 80.8 | 71% | 0.706 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -56.7 | -51.5 | -179.6 | 178.9 | 178.1 | 172.1 | 145.3 | -0.6 | 112.1 | R179 I180 E181 | R177-R179 PolarHBondContact O-N 2.79Å; R177-I180 WeakPolarHBondContact O-CB 3.37Å; R177-I180 PolarHBondContact O-N 3.07Å; R177-E181 WeakPolarHBondContact CG-OE1 3.48Å; R177-E181 IonicContact CZ-OE1 3.42Å; R177-E181 IonicContact NE-OE1 2.59Å; R177-E181 PolarHBondContact NE-OE1 2.91Å; R177-E181 IonicContact NH2-OE1 3.84Å; R177-E181 PolarHBondContact O-N 3.21Å |
| 178 | R | 98.6 | Very high | 98.4 | Very high | 87 Ų | 87 | 81 Ų | 81 | 33% | 0.328 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -35.3 | -177.4 | -173.1 | 56.1 | 176.3 | 177 | -1.2 | 112.7 | E167 L174 T175 R176 I180 E181 I182 | E167-R178 IonicContact OE1-CZ 3.43Å; E167-R178 IonicContact OE1-NE 3.12Å; E167-R178 IonicContact OE1-NH2 3.41Å; E167-R178 PolarHBondContact OE1-NH2 2.78Å; E167-R178 IonicContact OE2-CZ 2.93Å; E167-R178 IonicContact OE2-NE 3.67Å; E167-R178 PolarHBondContact OE2-NE 3.12Å; E167-R178 IonicContact OE2-NH2 3.82Å; E167-R178 PolarHBondContact OE2-NH2 3.44Å; E167-R178 VanDerWaalsContact OE2-NH2 3.12Å; L174-R178 HydrophobicContact CD2-CB 4.49Å; L174-R178 HydrophobicContact CD2-CG 3.9Å; T175-R178 WeakPolarHBondContact OG1-CB 3.46Å; T175-R178 PolarHBondContact OG1-N 3.34Å; R176-R178 PolarHBondContact O-N 2.92Å; R178-I180 VanDerWaalsContact C-N 3.33Å; R178-I180 PolarHBondContact O-N 3.1Å; R178-E181 VanDerWaalsContact CD-OE2 3.28Å; R178-E181 WeakPolarHBondContact CD-OE2 3.45Å; R178-E181 IonicContact CZ-OE2 3.7Å; R178-E181 IonicContact NH1-OE2 3.86Å; R178-E181 PolarHBondContact NH1-OE2 3.3Å; R178-E181 PolarHBondContact O-N 3.3Å; R178-I182 HydrophobicContact CG-CD1 3.89Å; R178-I182 HydrophobicContact CG-CG1 4.46Å; R178-I182 WeakPolarHBondContact O-CG1 3.39Å; R178-I182 PolarHBondContact O-N 3.45Å; R178-I182 VanDerWaalsContact O-N 3.08Å |
| 179 | R | 98.6 | Very high | 98.4 | Very high | 50 Ų | 50 | 84.5 Ų | 84.5 | 19% | 0.189 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.8 | -38.4 | 175.4 | -170.3 | -166.3 | -34.6 | -128.8 | -7.9 | 112.8 | L174 T175 R176 R177 A183 E190 I193 | L174-R179 HydrophobicContact CD1-CB 4.48Å; T175-R179 WeakPolarHBondContact O-CB 3.36Å; T175-R179 PolarHBondContact O-N 3.29Å; R176-R179 WeakPolarHBondContact O-CB 3.49Å; R176-R179 PolarHBondContact O-N 2.98Å; R177-R179 PolarHBondContact O-N 2.79Å; R179-A183 WeakPolarHBondContact O-CB 3.31Å; R179-A183 PolarHBondContact O-N 2.84Å; R179-E190 HydrophobicContact CG-CB 4.4Å; R179-I193 HydrophobicContact CG-CB 4.11Å; R179-I193 HydrophobicContact CG-CG2 3.91Å |
| 180 | I | 98.7 | Very high | 98.4 | Very high | 56 Ų | 56 | 81.6 Ų | 81.6 | 29% | 0.287 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.8 | -50.1 | 175.7 | -59.6 | 170.6 | 0 | 0 | 0 | 109.5 | R176 R177 R178 I182 A183 H184 | R176-I180 PolarHBondContact O-N 3.5Å; R177-I180 WeakPolarHBondContact O-CB 3.37Å; R177-I180 PolarHBondContact O-N 3.07Å; R178-I180 VanDerWaalsContact C-N 3.33Å; R178-I180 PolarHBondContact O-N 3.1Å; I180-I182 PolarHBondContact O-N 3.33Å; I180-A183 WeakPolarHBondContact O-CB 3.39Å; I180-A183 PolarHBondContact O-N 3.32Å; I180-H184 VanDerWaalsContact CG2-CD2 3.42Å; I180-H184 WeakPolarHBondContact CG2-CD2 3.48Å; I180-H184 WeakPolarHBondContact CG2-NE2 3.49Å; I180-H184 PolarHBondContact O-CD2 3.22Å; I180-H184 PolarHBondContact O-N 2.9Å |
| 181 | E | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 82.1 Ų | 82.1 | 33% | 0.332 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -56.8 | -48.6 | -177.7 | -65.1 | 169.3 | -175.8 | 0 | 0 | 111.3 | R177 R178 H184 A185 | R177-E181 WeakPolarHBondContact CG-OE1 3.48Å; R177-E181 IonicContact CZ-OE1 3.42Å; R177-E181 IonicContact NE-OE1 2.59Å; R177-E181 PolarHBondContact NE-OE1 2.91Å; R177-E181 IonicContact NH2-OE1 3.84Å; R177-E181 PolarHBondContact O-N 3.21Å; R178-E181 VanDerWaalsContact CD-OE2 3.28Å; R178-E181 WeakPolarHBondContact CD-OE2 3.45Å; R178-E181 IonicContact CZ-OE2 3.7Å; R178-E181 IonicContact NH1-OE2 3.86Å; R178-E181 PolarHBondContact NH1-OE2 3.3Å; R178-E181 PolarHBondContact O-N 3.3Å; E181-H184 PolarHBondContact O-N 2.92Å; E181-A185 WeakPolarHBondContact O-CB 3.3Å; E181-A185 PolarHBondContact O-N 3.3Å |
| 182 | I | 98.6 | Very high | 98.5 | Very high | 9 Ų | 9 | 81.4 Ų | 81.4 | 5% | 0.046 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 178.9 | -60.8 | 164.4 | 0 | 0 | 0 | 111.4 | L164 E167 L174 R178 I180 H184 A185 L186 I193 | L164-I182 HydrophobicContact CD2-CG2 4.22Å; E167-I182 HydrophobicContact CB-CD1 4.08Å; E167-I182 HydrophobicContact CG-CD1 3.68Å; E167-I182 HydrophobicContact CG-CG1 4.13Å; L174-I182 HydrophobicContact CD1-CD1 3.93Å; L174-I182 HydrophobicContact CD2-CD1 3.89Å; R178-I182 HydrophobicContact CG-CD1 3.89Å; R178-I182 HydrophobicContact CG-CG1 4.46Å; R178-I182 WeakPolarHBondContact O-CG1 3.39Å; R178-I182 PolarHBondContact O-N 3.45Å; R178-I182 VanDerWaalsContact O-N 3.08Å; I180-I182 PolarHBondContact O-N 3.33Å; I182-H184 VanDerWaalsContact C-N 3.33Å; I182-H184 PolarHBondContact O-N 3.44Å; I182-A185 PolarHBondContact O-N 2.98Å; I182-L186 HydrophobicContact CG2-CD1 3.69Å; I182-L186 HydrophobicContact CG2-CG 4.16Å; I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 PolarHBondContact O-N 3.04Å; I182-I193 HydrophobicContact CG2-CD1 3.91Å |
| 183 | A | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 76.4 Ų | 76.4 | 5% | 0.05 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R179 I180 C187 L188 E190 I193 | R179-A183 WeakPolarHBondContact O-CB 3.31Å; R179-A183 PolarHBondContact O-N 2.84Å; I180-A183 WeakPolarHBondContact O-CB 3.39Å; I180-A183 PolarHBondContact O-N 3.32Å; A183-C187 PolarHBondContact O-N 3.39Å; A183-C187 VanDerWaalsContact O-N 3.13Å; A183-L188 CarbonylContact C-O 3.43Å; A183-L188 WeakPolarHBondContact CA-O 3.46Å; A183-L188 WeakPolarHBondContact CB-O 3.48Å; A183-L188 PolarHBondContact O-N 3.48Å; A183-L188 VanDerWaalsContact O-O 3.06Å; A183-E190 HydrophobicContact CB-CG 4.22Å; A183-I193 HydrophobicContact CB-CG1 4.07Å |
| 184 | H | 98.6 | Very high | 98.5 | Very high | 145 Ų | 145 | 75.4 Ų | 75.4 | 67% | 0.671 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.2 | -44.1 | 176.2 | -67.4 | -60.1 | 0 | 0 | 0 | 112.5 | I180 E181 I182 L186 C187 | I180-H184 VanDerWaalsContact CG2-CD2 3.42Å; I180-H184 WeakPolarHBondContact CG2-CD2 3.48Å; I180-H184 WeakPolarHBondContact CG2-NE2 3.49Å; I180-H184 PolarHBondContact O-CD2 3.22Å; I180-H184 PolarHBondContact O-N 2.9Å; E181-H184 PolarHBondContact O-N 2.92Å; I182-H184 VanDerWaalsContact C-N 3.33Å; I182-H184 PolarHBondContact O-N 3.44Å; H184-L186 VanDerWaalsContact C-N 3.27Å; H184-L186 PolarHBondContact O-N 3.33Å; H184-C187 PolarHBondContact O-N 3.11Å |
| 185 | A | 98.4 | Very high | 98.5 | Very high | 68 Ų | 68 | 76.4 Ų | 76.4 | 56% | 0.562 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62 | -33.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E181 I182 | E181-A185 WeakPolarHBondContact O-CB 3.3Å; E181-A185 PolarHBondContact O-N 3.3Å; I182-A185 PolarHBondContact O-N 2.98Å |
| 186 | L | 98.4 | Very high | 98.5 | Very high | 8 Ų | 8 | 73.6 Ų | 73.6 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -101.5 | 1.5 | -175.9 | -61.2 | -174 | 0 | 0 | 0 | 114.1 | Y159 Q160 E163 L164 I182 H184 L188 | Y159-L186 HydrophobicContact CD1-CD2 4.14Å; Y159-L186 HydrophobicContact CE1-CD2 3.61Å; Q160-L186 HydrophobicContact CG-CB 4.28Å; Q160-L186 PolarHBondContact NE2-O 3.32Å; E163-L186 HydrophobicContact CB-CD1 4.09Å; E163-L186 HydrophobicContact CB-CD2 3.79Å; E163-L186 HydrophobicContact CB-CG 4.49Å; E163-L186 HydrophobicContact CG-CD2 4.03Å; L164-L186 HydrophobicContact CD1-CD1 4.45Å; L164-L186 HydrophobicContact CD2-CD1 3.97Å; L164-L186 HydrophobicContact CG-CD1 3.77Å; I182-L186 HydrophobicContact CG2-CD1 3.69Å; I182-L186 HydrophobicContact CG2-CG 4.16Å; I182-L186 WeakPolarHBondContact O-CB 3.44Å; I182-L186 PolarHBondContact O-N 3.04Å; H184-L186 VanDerWaalsContact C-N 3.27Å; H184-L186 PolarHBondContact O-N 3.33Å; L186-L188 VanDerWaalsContact C-N 3.25Å; L186-L188 HydrophobicContact CB-CD1 4.22Å; L186-L188 HydrophobicContact CB-CG 4.19Å; L186-L188 PolarHBondContact O-N 3.49Å |
| 187 | C | 98.4 | Very high | 98.5 | Very high | 116 Ų | 116 | 67.4 Ų | 67.4 | 78% | 0.784 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 43.4 | -172.5 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | A183 H184 | A183-C187 PolarHBondContact O-N 3.39Å; A183-C187 VanDerWaalsContact O-N 3.13Å; H184-C187 PolarHBondContact O-N 3.11Å |
| 188 | L | 98.1 | Very high | 98.5 | Very high | 18 Ų | 18 | 63.3 Ų | 63.3 | 9% | 0.094 | 31% | 0.312 | C | S | . | . | trans | -118.6 | 152.4 | 176.8 | -66.4 | 179.3 | 0 | 0 | 0 | 110 | Y156 L164 A183 L186 Q192 I193 | Y156-L188 HydrophobicContact CD1-CD1 4.08Å; Y156-L188 HydrophobicContact CD1-CD2 3.85Å; Y156-L188 HydrophobicContact CE1-CD1 3.98Å; Y156-L188 HydrophobicContact CE1-CD2 3.65Å; Y156-L188 HydrophobicContact CE1-CG 4.49Å; L164-L188 HydrophobicContact CD1-CD1 4.3Å; A183-L188 CarbonylContact C-O 3.43Å; A183-L188 WeakPolarHBondContact CA-O 3.46Å; A183-L188 WeakPolarHBondContact CB-O 3.48Å; A183-L188 PolarHBondContact O-N 3.48Å; A183-L188 VanDerWaalsContact O-O 3.06Å; L186-L188 VanDerWaalsContact C-N 3.25Å; L186-L188 HydrophobicContact CB-CD1 4.22Å; L186-L188 HydrophobicContact CB-CG 4.19Å; L186-L188 PolarHBondContact O-N 3.49Å; L188-Q192 HydrophobicContact CB-CB 4.37Å; L188-I193 HydrophobicContact CB-CD1 3.9Å; L188-I193 HydrophobicContact CB-CG1 4.41Å; L188-I193 HydrophobicContact CD1-CD1 3.89Å | ||
| 189 | T | 98.6 | Very high | 98.5 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | trans | -72 | 150.1 | 173.2 | 63.4 | 0 | 0 | 0 | 0 | 111 | R191 Q192 I193 | T189-R191 PolarHBondContact O-N 3.47Å; T189-R191 VanDerWaalsContact O-N 3.07Å; T189-Q192 WeakPolarHBondContact O-CA 3.47Å; T189-Q192 WeakPolarHBondContact O-CB 3.45Å; T189-Q192 PolarHBondContact O-N 3.31Å; T189-Q192 VanDerWaalsContact OG1-CG 3.3Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.48Å; T189-Q192 PolarHBondContact OG1-N 2.95Å; T189-Q192 PolarHBondContact OG1-OE1 3.5Å; T189-I193 PolarHBondContact O-N 3.49Å; T189-I193 VanDerWaalsContact O-N 3.08Å | ||
| 190 | E | 98.6 | Very high | 98.5 | Very high | 64 Ų | 64 | 62.9 Ų | 62.9 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -52.6 | -33.9 | 173.1 | -68 | -162.7 | -133.1 | 0 | 0 | 113.4 | R176 R179 A183 I193 K194 | R176-E190 IonicContact CZ-OE1 3.49Å; R176-E190 VanDerWaalsContact CZ-OE1 3.23Å; R176-E190 IonicContact CZ-OE2 3.23Å; R176-E190 IonicContact NE-OE2 3.3Å; R176-E190 IonicContact NH1-OE1 3.3Å; R176-E190 PolarHBondContact NH1-OE1 3.11Å; R176-E190 IonicContact NH1-OE2 2.89Å; R176-E190 PolarHBondContact NH1-OE2 3.04Å; R176-E190 IonicContact NH2-OE1 2.78Å; R176-E190 PolarHBondContact NH2-OE1 3.22Å; R176-E190 IonicContact NH2-OE2 2.83Å; R176-E190 PolarHBondContact NH2-OE2 2.87Å; R179-E190 HydrophobicContact CG-CB 4.4Å; A183-E190 HydrophobicContact CB-CG 4.22Å; E190-I193 PolarHBondContact O-N 3.17Å; E190-K194 WeakPolarHBondContact O-CB 3.35Å; E190-K194 PolarHBondContact O-N 3.45Å |
| 191 | R | 98.3 | Very high | 98.5 | Very high | 182 Ų | 182 | 64 Ų | 64 | 69% | 0.687 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.2 | -43.4 | 175.9 | -175.3 | 178.8 | -176 | -85.5 | -1.1 | 111.3 | T189 K194 I195 | T189-R191 PolarHBondContact O-N 3.47Å; T189-R191 VanDerWaalsContact O-N 3.07Å; R191-K194 PolarHBondContact O-N 3.28Å; R191-I195 HydrophobicContact CG-CD1 3.89Å; R191-I195 VanDerWaalsContact NH1-CD1 3.31Å; R191-I195 WeakPolarHBondContact O-CB 3.27Å; R191-I195 VanDerWaalsContact O-CG1 3.29Å; R191-I195 WeakPolarHBondContact O-CG1 3.29Å; R191-I195 PolarHBondContact O-N 2.71Å |
| 192 | Q | 98.5 | Very high | 98.5 | Very high | 57 Ų | 57 | 65.8 Ų | 65.8 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 175.9 | -77.5 | 163.4 | -55 | 0 | 0 | 111.1 | L188 T189 K194 I195 W196 | L188-Q192 HydrophobicContact CB-CB 4.37Å; T189-Q192 WeakPolarHBondContact O-CA 3.47Å; T189-Q192 WeakPolarHBondContact O-CB 3.45Å; T189-Q192 PolarHBondContact O-N 3.31Å; T189-Q192 VanDerWaalsContact OG1-CG 3.3Å; T189-Q192 WeakPolarHBondContact OG1-CG 3.48Å; T189-Q192 PolarHBondContact OG1-N 2.95Å; T189-Q192 PolarHBondContact OG1-OE1 3.5Å; Q192-K194 VanDerWaalsContact C-N 3.35Å; Q192-K194 PolarHBondContact O-N 3.01Å; Q192-I195 PolarHBondContact O-N 3.02Å; Q192-W196 WeakPolarHBondContact O-CB 3.32Å; Q192-W196 PolarHBondContact O-N 3.36Å |
| 193 | I | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 174.5 | -55.8 | -58.7 | 0 | 0 | 0 | 110.6 | L164 L174 R179 I182 A183 L188 T189 E190 I195 W196 F197 | L164-I193 HydrophobicContact CD2-CD1 3.78Å; L174-I193 HydrophobicContact CD1-CG2 3.54Å; R179-I193 HydrophobicContact CG-CB 4.11Å; R179-I193 HydrophobicContact CG-CG2 3.91Å; I182-I193 HydrophobicContact CG2-CD1 3.91Å; A183-I193 HydrophobicContact CB-CG1 4.07Å; L188-I193 HydrophobicContact CB-CD1 3.9Å; L188-I193 HydrophobicContact CB-CG1 4.41Å; L188-I193 HydrophobicContact CD1-CD1 3.89Å; T189-I193 PolarHBondContact O-N 3.49Å; T189-I193 VanDerWaalsContact O-N 3.08Å; E190-I193 PolarHBondContact O-N 3.17Å; I193-I195 PolarHBondContact O-N 3.11Å; I193-W196 PolarHBondContact O-N 2.73Å; I193-F197 HydrophobicContact CG2-CD2 4.07Å; I193-F197 HydrophobicContact CG2-CE2 4.28Å; I193-F197 WeakPolarHBondContact O-CD2 3.37Å; I193-F197 PolarHBondContact O-N 3.06Å |
| 194 | K | 98.4 | Very high | 98.3 | Very high | 123 Ų | 123 | 75 Ų | 75 | 54% | 0.535 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 177.5 | -177.3 | -178.1 | 177.5 | 179.9 | 0 | 112.1 | E190 R191 Q192 Q198 | E190-K194 WeakPolarHBondContact O-CB 3.35Å; E190-K194 PolarHBondContact O-N 3.45Å; R191-K194 PolarHBondContact O-N 3.28Å; Q192-K194 VanDerWaalsContact C-N 3.35Å; Q192-K194 PolarHBondContact O-N 3.01Å; K194-Q198 WeakPolarHBondContact O-CB 2.77Å; K194-Q198 PolarHBondContact O-N 3.24Å |
| 195 | I | 98.6 | Very high | 98.2 | Very high | 54 Ų | 54 | 73 Ų | 73 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | -179.9 | -70.6 | 169 | 0 | 0 | 0 | 110.3 | R191 Q192 I193 Q198 N199 | R191-I195 HydrophobicContact CG-CD1 3.89Å; R191-I195 VanDerWaalsContact NH1-CD1 3.31Å; R191-I195 WeakPolarHBondContact O-CB 3.27Å; R191-I195 VanDerWaalsContact O-CG1 3.29Å; R191-I195 WeakPolarHBondContact O-CG1 3.29Å; R191-I195 PolarHBondContact O-N 2.71Å; Q192-I195 PolarHBondContact O-N 3.02Å; I193-I195 PolarHBondContact O-N 3.11Å; I195-Q198 PolarHBondContact O-N 3.49Å; I195-N199 VanDerWaalsContact O-CG 3.28Å; I195-N199 PolarHBondContact O-N 3.33Å; I195-N199 PolarHBondContact O-ND2 3.34Å |
| 196 | W | 98.6 | Very high | 98 | Very high | 28 Ų | 28 | 77 Ų | 77 | 11% | 0.106 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 178.4 | -169.5 | 99.4 | 0 | 0 | 0 | 111 | Y156 L164 E165 F168 Q192 I193 Q198 N199 R200 | Y156-W196 AromaticContact CD2-CD1 3.86Å; Y156-W196 AromaticContact CE2-CD1 3.59Å; L164-W196 VanDerWaalsContact C-CH2 3.49Å; L164-W196 HydrophobicContact CB-CD2 3.9Å; L164-W196 HydrophobicContact CB-CE3 3.91Å; L164-W196 HydrophobicContact CB-CH2 3.63Å; L164-W196 HydrophobicContact CB-CZ2 3.58Å; L164-W196 HydrophobicContact CB-CZ3 3.78Å; L164-W196 HydrophobicContact CD1-CD2 3.84Å; L164-W196 HydrophobicContact CD1-CG 3.82Å; L164-W196 HydrophobicContact CD2-CD2 4.3Å; L164-W196 HydrophobicContact CD2-CE3 4.22Å; L164-W196 HydrophobicContact CG-CD2 4.24Å; L164-W196 HydrophobicContact CG-CE3 4.45Å; L164-W196 WeakPolarHBondContact O-CH2 3.4Å; L164-W196 WeakPolarHBondContact O-CZ3 3.28Å; E165-W196 HydrophobicContact CG-CH2 4.08Å; E165-W196 HydrophobicContact CG-CZ2 4.09Å; F168-W196 HydrophobicContact CB-CH2 4.34Å; F168-W196 HydrophobicContact CB-CZ3 4.07Å; Q192-W196 WeakPolarHBondContact O-CB 3.32Å; Q192-W196 PolarHBondContact O-N 3.36Å; I193-W196 PolarHBondContact O-N 2.73Å; W196-Q198 VanDerWaalsContact C-N 3.28Å; W196-Q198 PolarHBondContact O-N 3.26Å; W196-N199 PolarHBondContact O-N 3.22Å; W196-R200 HydrophobicContact CD2-CB 4.48Å; W196-R200 HydrophobicContact CE3-CB 3.93Å; W196-R200 HydrophobicContact CE3-CG 4.45Å; W196-R200 HydrophobicContact CH2-CB 3.99Å; W196-R200 HydrophobicContact CH2-CG 3.69Å; W196-R200 HydrophobicContact CZ2-CG 4.48Å; W196-R200 HydrophobicContact CZ3-CB 3.66Å; W196-R200 HydrophobicContact CZ3-CG 3.68Å; W196-R200 VanDerWaalsContact O-CB 3.31Å; W196-R200 WeakPolarHBondContact O-CB 3.37Å; W196-R200 PolarHBondContact O-N 3.15Å |
| 197 | F | 98.8 | Very high | 97.7 | Very high | 8 Ų | 8 | 80 Ų | 80 | 4% | 0.035 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.8 | -31.8 | 176.9 | -91.3 | -102.8 | 0 | 0 | 0 | 113.1 | L164 E167 F168 L174 I193 R201 | L164-F197 HydrophobicContact CD2-CE2 4.07Å; E167-F197 HydrophobicContact CB-CZ 4.06Å; F168-F197 HydrophobicContact CB-CE1 4.22Å; F168-F197 HydrophobicContact CB-CZ 4.34Å; F168-F197 AromaticContact CD2-CD1 3.96Å; F168-F197 HydrophobicContact CD2-CD1 3.96Å; F168-F197 AromaticContact CD2-CE1 3.9Å; F168-F197 HydrophobicContact CD2-CE1 3.9Å; L174-F197 HydrophobicContact CD1-CD1 4.14Å; L174-F197 HydrophobicContact CD1-CD2 3.6Å; L174-F197 HydrophobicContact CD1-CE1 3.95Å; L174-F197 HydrophobicContact CD1-CE2 3.41Å; L174-F197 VanDerWaalsContact CD1-CE2 3.41Å; L174-F197 HydrophobicContact CD1-CG 3.98Å; L174-F197 HydrophobicContact CD1-CZ 3.59Å; L174-F197 HydrophobicContact CD2-CE1 3.8Å; L174-F197 HydrophobicContact CD2-CE2 4.42Å; L174-F197 HydrophobicContact CD2-CZ 3.73Å; L174-F197 HydrophobicContact CG-CD1 3.81Å; L174-F197 HydrophobicContact CG-CD2 4.21Å; L174-F197 HydrophobicContact CG-CE1 3.53Å; L174-F197 HydrophobicContact CG-CE2 3.99Å; L174-F197 HydrophobicContact CG-CG 4.14Å; L174-F197 HydrophobicContact CG-CZ 3.64Å; I193-F197 HydrophobicContact CG2-CD2 4.07Å; I193-F197 HydrophobicContact CG2-CE2 4.28Å; I193-F197 WeakPolarHBondContact O-CD2 3.37Å; I193-F197 PolarHBondContact O-N 3.06Å; F197-R201 WeakPolarHBondContact O-CB 3.4Å; F197-R201 VanDerWaalsContact O-CG 3.32Å; F197-R201 WeakPolarHBondContact O-CG 3.45Å; F197-R201 PolarHBondContact O-N 3.35Å; F197-R201 VanDerWaalsContact O-N 3.11Å; F197-R201 PolarHBondContact O-NE 2.85Å |
| 198 | Q | 98.7 | Very high | 97.1 | Very high | 102 Ų | 102 | 77 Ų | 77 | 48% | 0.477 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.3 | -49.3 | 173.3 | -172.5 | 172.6 | 13.5 | 0 | 0 | 111.2 | K194 I195 W196 R200 R201 M202 | K194-Q198 WeakPolarHBondContact O-CB 2.77Å; K194-Q198 PolarHBondContact O-N 3.24Å; I195-Q198 PolarHBondContact O-N 3.49Å; W196-Q198 VanDerWaalsContact C-N 3.28Å; W196-Q198 PolarHBondContact O-N 3.26Å; Q198-R200 VanDerWaalsContact C-N 3.32Å; Q198-R200 PolarHBondContact O-N 3.16Å; Q198-R201 PolarHBondContact O-N 3.49Å; Q198-M202 WeakPolarHBondContact O-CG 3.5Å; Q198-M202 PolarHBondContact O-N 2.93Å; Q198-M202 VanDerWaalsContact O-N 3.11Å |
| 199 | N | 98.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 83 Ų | 83 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 177.2 | -68.3 | -16.9 | 0 | 0 | 0 | 111.4 | I195 W196 R201 M202 K203 | I195-N199 VanDerWaalsContact O-CG 3.28Å; I195-N199 PolarHBondContact O-N 3.33Å; I195-N199 PolarHBondContact O-ND2 3.34Å; W196-N199 PolarHBondContact O-N 3.22Å; N199-R201 PolarHBondContact O-N 3.48Å; N199-M202 WeakPolarHBondContact O-CB 3.47Å; N199-M202 PolarHBondContact O-N 2.82Å; N199-K203 PolarHBondContact O-N 3.38Å |
| 200 | R | 98.6 | Very high | 94.8 | Very high | 29 Ų | 29 | 84.3 Ų | 84.3 | 11% | 0.109 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | -180 | -176.4 | 62 | -174 | 104.4 | -7.8 | 112.2 | E165 F168 W196 Q198 M202 K203 W204 E207 | E165-R200 IonicContact OE1-NE 2.86Å; E165-R200 PolarHBondContact OE1-NE 2.95Å; E165-R200 IonicContact OE2-CZ 3.9Å; E165-R200 IonicContact OE2-NE 3.36Å; E165-R200 PolarHBondContact OE2-NE 2.59Å; E165-R200 IonicContact OE2-NH2 2.67Å; E165-R200 PolarHBondContact OE2-NH2 2.99Å; F168-R200 HydrophobicContact CB-CG 4.38Å; F168-R200 HydrophobicContact CD1-CG 3.69Å; F168-R200 HydrophobicContact CD2-CB 4.25Å; F168-R200 HydrophobicContact CD2-CG 3.59Å; F168-R200 HydrophobicContact CE1-CG 3.78Å; F168-R200 HydrophobicContact CE2-CB 4.25Å; F168-R200 HydrophobicContact CE2-CG 3.69Å; F168-R200 HydrophobicContact CG-CG 3.59Å; F168-R200 HydrophobicContact CZ-CG 3.78Å; W196-R200 HydrophobicContact CD2-CB 4.48Å; W196-R200 HydrophobicContact CE3-CB 3.93Å; W196-R200 HydrophobicContact CE3-CG 4.45Å; W196-R200 HydrophobicContact CH2-CB 3.99Å; W196-R200 HydrophobicContact CH2-CG 3.69Å; W196-R200 HydrophobicContact CZ2-CG 4.48Å; W196-R200 HydrophobicContact CZ3-CB 3.66Å; W196-R200 HydrophobicContact CZ3-CG 3.68Å; W196-R200 VanDerWaalsContact O-CB 3.31Å; W196-R200 WeakPolarHBondContact O-CB 3.37Å; W196-R200 PolarHBondContact O-N 3.15Å; Q198-R200 VanDerWaalsContact C-N 3.32Å; Q198-R200 PolarHBondContact O-N 3.16Å; R200-M202 VanDerWaalsContact C-N 3.35Å; R200-M202 PolarHBondContact O-N 3.19Å; R200-K203 PolarHBondContact O-N 3.26Å; R200-W204 WeakPolarHBondContact O-CB 3.33Å; R200-W204 PolarHBondContact O-N 2.98Å; R200-E207 IonicContact NH1-OE2 3.03Å; R200-E207 PolarHBondContact NH1-OE2 3Å |
| 201 | R | 98.3 | Very high | 93.3 | Very high | 80 Ų | 80 | 85.5 Ų | 85.5 | 30% | 0.302 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 173.3 | -75.5 | -175.9 | -68.1 | 153.1 | -3 | 112.5 | F168 R172 F197 Q198 N199 W204 K205 | F168-R201 HydrophobicContact CE2-CG 3.72Å; F168-R201 HydrophobicContact CZ-CG 4.21Å; R172-R201 WeakPolarHBondContact O-CD 3.46Å; F197-R201 WeakPolarHBondContact O-CB 3.4Å; F197-R201 VanDerWaalsContact O-CG 3.32Å; F197-R201 WeakPolarHBondContact O-CG 3.45Å; F197-R201 PolarHBondContact O-N 3.35Å; F197-R201 VanDerWaalsContact O-N 3.11Å; F197-R201 PolarHBondContact O-NE 2.85Å; Q198-R201 PolarHBondContact O-N 3.49Å; N199-R201 PolarHBondContact O-N 3.48Å; R201-W204 PolarHBondContact O-N 3.18Å; R201-K205 WeakPolarHBondContact O-CB 3.5Å; R201-K205 PolarHBondContact O-N 3.49Å |
| 202 | M | 98.2 | Very high | 91.5 | Very high | 108 Ų | 108 | 81.9 Ų | 81.9 | 53% | 0.532 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 176 | -67.7 | -61.7 | -79.6 | 0 | 0 | 111.7 | Q198 N199 R200 K205 K206 | Q198-M202 WeakPolarHBondContact O-CG 3.5Å; Q198-M202 PolarHBondContact O-N 2.93Å; Q198-M202 VanDerWaalsContact O-N 3.11Å; N199-M202 WeakPolarHBondContact O-CB 3.47Å; N199-M202 PolarHBondContact O-N 2.82Å; R200-M202 VanDerWaalsContact C-N 3.35Å; R200-M202 PolarHBondContact O-N 3.19Å; M202-K205 PolarHBondContact O-N 3.47Å; M202-K206 PolarHBondContact O-N 3.38Å; M202-K206 VanDerWaalsContact O-N 3.16Å |
| 203 | K | 96.9 | Very high | 89.6 | Confident | 116 Ų | 116 | 82.6 Ų | 82.6 | 50% | 0.504 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.4 | -49.5 | 174.6 | -179.7 | 172.1 | 171.8 | -178.6 | 0 | 111.6 | N199 R200 K205 K206 E207 | N199-K203 PolarHBondContact O-N 3.38Å; R200-K203 PolarHBondContact O-N 3.26Å; K203-K205 VanDerWaalsContact C-N 3.33Å; K203-K205 PolarHBondContact O-N 2.96Å; K203-K206 WeakPolarHBondContact O-CB 3.38Å; K203-K206 PolarHBondContact O-N 3.36Å; K203-E207 WeakPolarHBondContact CE-OE1 3.32Å; K203-E207 HydrophobicContact CG-CG 4.38Å; K203-E207 VanDerWaalsContact CG-OE1 3.27Å; K203-E207 WeakPolarHBondContact CG-OE1 3.46Å; K203-E207 IonicContact NZ-OE1 3.91Å; K203-E207 WeakPolarHBondContact O-CG 3.44Å; K203-E207 PolarHBondContact O-N 2.63Å |
| 204 | W | 96.3 | Very high | 87.5 | Confident | 93 Ų | 93 | 86.2 Ų | 86.2 | 35% | 0.352 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -54.7 | -48.2 | 175.7 | 179.9 | 78 | 0 | 0 | 0 | 111.3 | F168 R200 R201 K206 E207 N208 | F168-W204 HydrophobicContact CE1-CB 4.27Å; F168-W204 HydrophobicContact CE1-CG 4.3Å; F168-W204 HydrophobicContact CZ-CB 4.07Å; F168-W204 HydrophobicContact CZ-CG 4.25Å; R200-W204 WeakPolarHBondContact O-CB 3.33Å; R200-W204 PolarHBondContact O-N 2.98Å; R201-W204 PolarHBondContact O-N 3.18Å; W204-K206 VanDerWaalsContact C-N 3.26Å; W204-K206 PolarHBondContact O-N 3.27Å; W204-E207 PolarHBondContact O-N 3.5Å; W204-E207 VanDerWaalsContact O-N 3.15Å; W204-N208 VanDerWaalsContact CD2-ND2 3.26Å; W204-N208 PolarHBondContact NE1-ND2 3.18Å; W204-N208 PolarHBondContact O-N 3.01Å; W204-N208 PolarHBondContact O-ND2 2.89Å |
| 205 | K | 95.8 | Very high | 85.3 | Confident | 103 Ų | 103 | 86.2 Ų | 86.2 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.2 | -37.5 | 176.7 | -176.5 | -178.6 | 67.5 | 177.6 | 0 | 112.7 | R201 M202 K203 K209 | R201-K205 WeakPolarHBondContact O-CB 3.5Å; R201-K205 PolarHBondContact O-N 3.49Å; M202-K205 PolarHBondContact O-N 3.47Å; K203-K205 VanDerWaalsContact C-N 3.33Å; K203-K205 PolarHBondContact O-N 2.96Å; K205-K209 WeakPolarHBondContact O-CG 3.39Å |
| 206 | K | 94.9 | Very high | 82.9 | Confident | 151 Ų | 151 | 89.2 Ų | 89.2 | 66% | 0.657 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.7 | -42.5 | 177.7 | -171.8 | 177.8 | 178.8 | -178.5 | 0 | 111.2 | M202 K203 W204 K209 | M202-K206 PolarHBondContact O-N 3.38Å; M202-K206 VanDerWaalsContact O-N 3.16Å; K203-K206 WeakPolarHBondContact O-CB 3.38Å; K203-K206 PolarHBondContact O-N 3.36Å; W204-K206 VanDerWaalsContact C-N 3.26Å; W204-K206 PolarHBondContact O-N 3.27Å; K206-K209 PolarHBondContact O-N 2.77Å |
| 207 | E | 92.1 | Very high | 80.5 | Confident | 72 Ų | 72 | 92.6 Ų | 92.6 | 34% | 0.336 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | -178.6 | -69 | 166.1 | 164.5 | 0 | 0 | 112.4 | R200 K203 W204 K209 L210 I211 | R200-E207 IonicContact NH1-OE2 3.03Å; R200-E207 PolarHBondContact NH1-OE2 3Å; K203-E207 WeakPolarHBondContact CE-OE1 3.32Å; K203-E207 HydrophobicContact CG-CG 4.38Å; K203-E207 VanDerWaalsContact CG-OE1 3.27Å; K203-E207 WeakPolarHBondContact CG-OE1 3.46Å; K203-E207 IonicContact NZ-OE1 3.91Å; K203-E207 WeakPolarHBondContact O-CG 3.44Å; K203-E207 PolarHBondContact O-N 2.63Å; W204-E207 PolarHBondContact O-N 3.5Å; W204-E207 VanDerWaalsContact O-N 3.15Å; E207-K209 VanDerWaalsContact C-N 3.3Å; E207-K209 PolarHBondContact O-N 3.32Å; E207-L210 PolarHBondContact O-N 3.23Å; E207-I211 WeakPolarHBondContact O-CG1 3.49Å; E207-I211 PolarHBondContact O-N 3.33Å |
| 208 | N | 86.8 | Confident | 77.9 | Confident | 53 Ų | 53 | 94.8 Ų | 94.8 | 28% | 0.283 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -29.8 | -179.2 | -69.4 | -90.3 | 0 | 0 | 0 | 113.2 | W204 L210 I211 N212 | W204-N208 VanDerWaalsContact CD2-ND2 3.26Å; W204-N208 PolarHBondContact NE1-ND2 3.18Å; W204-N208 PolarHBondContact O-N 3.01Å; W204-N208 PolarHBondContact O-ND2 2.89Å; N208-L210 VanDerWaalsContact C-N 3.3Å; N208-L210 PolarHBondContact O-N 3.14Å; N208-I211 PolarHBondContact O-N 3.09Å; N208-N212 PolarHBondContact O-N 2.89Å; N208-N212 PolarHBondContact O-OD1 2.95Å |
| 209 | K | 76.7 | Confident | 75.6 | Confident | 143 Ų | 143 | 97.9 Ų | 97.9 | 62% | 0.622 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.6 | -32 | 177.1 | -73.5 | -178.3 | 177.3 | -153.9 | 0 | 112.8 | K205 K206 E207 S213 | K205-K209 WeakPolarHBondContact O-CG 3.39Å; K206-K209 PolarHBondContact O-N 2.77Å; E207-K209 VanDerWaalsContact C-N 3.3Å; E207-K209 PolarHBondContact O-N 3.32Å; K209-S213 PolarHBondContact O-OG 3.29Å |
| 210 | L | 70 | Confident | 73.3 | Confident | 104 Ų | 104 | 101.9 Ų | 101.9 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -79.1 | -33.9 | 179.9 | -61.8 | 171.8 | 0 | 0 | 0 | 111.2 | E207 N208 S213 S214 | E207-L210 PolarHBondContact O-N 3.23Å; N208-L210 VanDerWaalsContact C-N 3.3Å; N208-L210 PolarHBondContact O-N 3.14Å; L210-S213 PolarHBondContact O-OG 3.2Å; L210-S214 PolarHBondContact O-N 3.29Å; L210-S214 PolarHBondContact O-OG 3.25Å |
| 211 | I | 68.5 | Low | 71.1 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 46% | 0.456 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.8 | -45.7 | 177.5 | -62.6 | 166.7 | 0 | 0 | 0 | 110.4 | E207 N208 S213 S214 Q215 | E207-I211 WeakPolarHBondContact O-CG1 3.49Å; E207-I211 PolarHBondContact O-N 3.33Å; N208-I211 PolarHBondContact O-N 3.09Å; I211-S213 VanDerWaalsContact C-N 3.26Å; I211-S213 PolarHBondContact O-N 3.48Å; I211-S214 PolarHBondContact O-N 3.33Å; I211-Q215 PolarHBondContact O-N 3.3Å |
| 212 | N | 60.7 | Low | 68.7 | Low | 107 Ų | 107 | 113.6 Ų | 113.6 | 57% | 0.572 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.4 | -26.4 | -179.6 | -66.7 | 5.1 | 0 | 0 | 0 | 113.4 | N208 | N208-N212 PolarHBondContact O-N 2.89Å; N208-N212 PolarHBondContact O-OD1 2.95Å |
| 213 | S | 57.8 | Low | 66.5 | Low | 72 Ų | 72 | 116.3 Ų | 116.3 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -82.1 | -14.5 | 173.1 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | K209 L210 I211 | K209-S213 PolarHBondContact O-OG 3.29Å; L210-S213 PolarHBondContact O-OG 3.2Å; I211-S213 VanDerWaalsContact C-N 3.26Å; I211-S213 PolarHBondContact O-N 3.48Å |
| 214 | S | 55.5 | Low | 64.1 | Low | 76 Ų | 76 | 119.9 Ų | 119.9 | 53% | 0.531 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -95 | -19.9 | -178.9 | -49.3 | 0 | 0 | 0 | 0 | 112.8 | L210 I211 S217 | L210-S214 PolarHBondContact O-N 3.29Å; L210-S214 PolarHBondContact O-OG 3.25Å; I211-S214 PolarHBondContact O-N 3.33Å; S214-S217 PolarHBondContact O-OG 3.49Å |
| 215 | Q | 52.3 | Low | 61.9 | Low | 123 Ų | 123 | 126.7 Ų | 126.7 | 58% | 0.575 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -84 | -19.6 | 178.9 | -71.4 | -171.7 | -57.8 | 0 | 0 | 113.2 | I211 S217 | I211-Q215 PolarHBondContact O-N 3.3Å; Q215-S217 PolarHBondContact O-N 3.35Å |
| 216 | T | 47.7 | Very low | 59.9 | Low | 117 Ų | 117 | 126.8 Ų | 126.8 | 72% | 0.718 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -78.8 | 3.1 | 178.3 | 61.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 217 | S | 47.2 | Very low | 57.4 | Low | 99 Ų | 99 | 131.4 Ų | 131.4 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -119.1 | 4.3 | -178.8 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | S214 Q215 | S214-S217 PolarHBondContact O-OG 3.49Å; Q215-S217 PolarHBondContact O-N 3.35Å |
| 218 | G | 45.2 | Very low | 55.7 | Low | 55 Ų | 55 | 134.4 Ų | 134.4 | 57% | 0.567 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -112.4 | -9.1 | -174 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 219 | E | 49.3 | Very low | 54 | Low | 166 Ų | 166 | 138.7 Ų | 138.7 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -96.7 | -7.7 | -173.2 | -67.9 | -179.6 | 173.5 | 0 | 0 | 113.9 | ||
| 220 | E | 51 | Low | 52.8 | Low | 184 Ų | 184 | 138.4 Ų | 138.4 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -91.3 | -8.7 | -178 | -69.7 | -173.7 | 177.5 | 0 | 0 | 115.2 | ||
| 221 | E | 51.9 | Low | 51.8 | Low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -99 | -12.5 | -177.8 | -81.1 | -155.7 | 160.9 | 0 | 0 | 115.7 | ||
| 222 | E | 48.8 | Very low | 50.7 | Low | 173 Ų | 173 | 143.7 Ų | 143.7 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -90.4 | -18.5 | -174.7 | -158.4 | 169.1 | -172.8 | 0 | 0 | 114.2 | ||
| 223 | E | 51.5 | Low | 50.1 | Low | 165 Ų | 165 | 146.1 Ų | 146.1 | 77% | 0.771 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -83.2 | -13.4 | -179.7 | -164.7 | 166.8 | -168.2 | 0 | 0 | 113.6 | ||
| 224 | K | 45.6 | Very low | 49.5 | Very low | 192 Ų | 192 | 151.4 Ų | 151.4 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -97 | 6.4 | -176.5 | -134.7 | -176.6 | -173.4 | -177.4 | 0 | 115.4 | ||
| 225 | R | 50.4 | Low | 49.1 | Very low | 235 Ų | 235 | 157.2 Ų | 157.2 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -102 | -5.1 | 178.3 | -163.5 | 165.6 | -170.1 | -98.1 | -2 | 113.4 | ||
| 226 | S | 53.5 | Low | 48.8 | Very low | 105 Ų | 105 | 160.1 Ų | 160.1 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -113.2 | 12.1 | -175.8 | 45.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 227 | E | 43.6 | Very low | 48.9 | Very low | 249 Ų | 249 | 164 Ų | 164 | 100% | 1.164 | 81% | 0.813 | S | S | * | * | trans | -121.5 | 0 | 175.1 | -151.7 | 162.4 | -171.6 | 0 | 0 | 112.3 |
Retrieved 227 of 227 residues in 119.8 ms
(Link to these results)