| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.3 | Very low | 37.4 | Very low | 248 Ų | 248 | 156.5 Ų | 156.5 | 100% | 1.222 | 83% | 0.833 | S | S | * | * | 0 | 146.7 | 0 | -78.7 | 168.5 | 161.3 | 0 | 0 | 107.9 | |||||
| 2 | K | 37.5 | Very low | 36.9 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | trans | 12.4 | 124.2 | 166.7 | -79.1 | 179.9 | 163.5 | -175.7 | 0 | 118.9 | ||||
| 3 | M | 38.1 | Very low | 36.4 | Very low | 148 Ų | 148 | 148.2 Ų | 148.2 | 73% | 0.729 | 84% | 0.835 | S | S | * | * | 61.5 | 133.1 | 78.4 | -59.4 | -103.5 | -74.5 | 0 | 0 | 111 | |||||
| 4 | E | 36.3 | Very low | 36.1 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 74% | 0.738 | 84% | 0.84 | S | S | * | * | cis | -155.5 | 168.9 | 21.6 | -100.7 | 131.2 | 137.5 | 0 | 0 | 107.7 | ||||
| 5 | A | 40.6 | Very low | 35.7 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 79% | 0.793 | 83% | 0.834 | S | S | * | * | cis | -161.1 | -175.6 | -3.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | S | 37.8 | Very low | 35.4 | Very low | 115 Ų | 115 | 144.4 Ų | 144.4 | 80% | 0.804 | 83% | 0.834 | S | S | * | * | trans | -80.7 | 170.8 | 173.9 | -39.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 7 | S | 40 | Very low | 35.4 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | -167.2 | 162.2 | 76.3 | 44.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 8 | E | 36.4 | Very low | 35.2 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -80.9 | 165.2 | -179.5 | -59.4 | 143 | 103.2 | 0 | 0 | 113.7 | ||||
| 9 | V | 35 | Very low | 35 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | 173.5 | 116.1 | 107.6 | 159.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 10 | Q | 34 | Very low | 35 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | trans | -2.4 | 138.9 | 141.9 | -132.4 | 162.2 | -20 | 0 | 0 | 121.2 | ||||
| 11 | Q | 33.9 | Very low | 34.8 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | 136.9 | 135.8 | 111.9 | -159.4 | 161.2 | 16.2 | 0 | 0 | 117.1 | |||||
| 12 | S | 31.7 | Very low | 34.7 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -43.7 | 154 | 179.6 | -40.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 13 | G | 30.4 | Very low | 34.4 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | -164.2 | 142.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 14 | E | 32.2 | Very low | 34.3 | Very low | 193 Ų | 193 | 140.2 Ų | 140.2 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -122.3 | 165.3 | -161.1 | -156.4 | -177.1 | 132.9 | 0 | 0 | 113.4 | ||||
| 15 | A | 29.8 | Very low | 34.1 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 74% | 0.744 | 83% | 0.832 | S | S | * | * | trans | 69.2 | 126.1 | 157.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 16 | A | 30.8 | Very low | 33.5 | Very low | 102 Ų | 102 | 141 Ų | 141 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | -174.6 | 137.8 | 103.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 17 | V | 36 | Very low | 33 | Very low | 140 Ų | 140 | 144 Ų | 144 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | trans | -97.2 | 142.4 | 165.5 | 168.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 18 | S | 31.6 | Very low | 32.4 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | trans | -150.4 | 109.1 | 157.9 | -143.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 19 | E | 31.5 | Very low | 32.3 | Very low | 175 Ų | 175 | 145.8 Ų | 145.8 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | 19.2 | 139.4 | 146.6 | -60.1 | 178.7 | 137.2 | 0 | 0 | 122 | ||||
| 20 | S | 34.4 | Very low | 32.1 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | trans | -96 | 124.9 | 163.2 | -60.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 21 | E | 31.8 | Very low | 32.1 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -107.9 | 138 | 162.1 | -80.9 | -165.1 | 107.2 | 0 | 0 | 110.8 | ||||
| 22 | A | 38.2 | Very low | 32.2 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -86.6 | 130.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 23 | Q | 32.5 | Very low | 32.3 | Very low | 183 Ų | 183 | 142 Ų | 142 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | -125.9 | 124.1 | 162.1 | -70.5 | -165.9 | -1.5 | 0 | 0 | 112.4 | ||||
| 24 | Q | 35.8 | Very low | 32.7 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 84% | 0.835 | S | S | * | * | trans | -66.1 | 129 | -179.1 | -176.5 | 177.1 | 32.2 | 0 | 0 | 110.7 | ||||
| 25 | I | 32 | Very low | 32.9 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 83% | 0.831 | 82% | 0.824 | S | S | * | * | trans | -117.8 | 118.9 | 172.8 | -60.1 | -179.6 | 0 | 0 | 0 | 110.4 | ||||
| 26 | T | 27.7 | Very low | 33.3 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 68% | 0.675 | 83% | 0.831 | S | S | * | * | trans | -61.7 | 133.5 | 179.7 | -56.7 | 0 | 0 | 0 | 0 | 112.6 | T28 | T26-T28 HydrophobicContact CG2-CG2 4.39Å; T26-T28 PolarHBondContact O-N 3.21Å; T26-T28 VanDerWaalsContact O-N 3.14Å | ||
| 27 | L | 27.9 | Very low | 33.7 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | trans | -73.3 | 96.5 | 169.1 | -81.9 | 163.1 | 0 | 0 | 0 | 111 | ||||
| 28 | T | 27.7 | Very low | 34 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 78% | 0.779 | 83% | 0.827 | S | S | * | * | trans | -98 | 108.5 | 163.4 | 44.8 | 0 | 0 | 0 | 0 | 110.1 | T26 | T26-T28 HydrophobicContact CG2-CG2 4.39Å; T26-T28 PolarHBondContact O-N 3.21Å; T26-T28 VanDerWaalsContact O-N 3.14Å | ||
| 29 | Q | 33.3 | Very low | 34.3 | Very low | 202 Ų | 202 | 143 Ų | 143 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | trans | -82.5 | 123.8 | 179.3 | -170 | 176 | 97.8 | 0 | 0 | 110.1 | ||||
| 30 | A | 31.5 | Very low | 34.8 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 68% | 0.678 | 82% | 0.819 | S | S | * | * | trans | -121.4 | 143.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 31 | P | 34.4 | Very low | 35.2 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 131.9 | -173.1 | 31 | -34.2 | 0 | 0 | 0 | 111.5 | ||
| 32 | I | 34.8 | Very low | 35.8 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 119.2 | 171.5 | 53.5 | 171.1 | 0 | 0 | 0 | 111.2 | ||
| 33 | T | 34.7 | Very low | 36.4 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 147.1 | 175.2 | -42.5 | 0 | 0 | 0 | 0 | 111 | G35 | T33-G35 PolarHBondContact O-N 3.29Š|
| 34 | A | 38.5 | Very low | 37.2 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 119 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 35 | G | 36.1 | Very low | 38.2 | Very low | 64 Ų | 64 | 121.7 Ų | 121.7 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 132.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T33 V37 | T33-G35 PolarHBondContact O-N 3.29Å; G35-V37 PolarHBondContact O-N 3.11Å |
| 36 | Q | 37.8 | Very low | 39.4 | Very low | 193 Ų | 193 | 118.6 Ų | 118.6 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 124.1 | 176.8 | -102.8 | 173.9 | -51.1 | 0 | 0 | 111.6 | ||
| 37 | V | 39.3 | Very low | 40.7 | Very low | 135 Ų | 135 | 116.9 Ų | 116.9 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -101.5 | 109.4 | 171.9 | -177 | 0 | 0 | 0 | 0 | 109.1 | G35 | G35-V37 PolarHBondContact O-N 3.11Š| ||
| 38 | T | 42.2 | Very low | 41.8 | Very low | 129 Ų | 129 | 113.9 Ų | 113.9 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -93.3 | 108 | 171.1 | 40.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 39 | S | 38.7 | Very low | 43.5 | Very low | 117 Ų | 117 | 111.3 Ų | 111.3 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -86.8 | 112.1 | -177.3 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 40 | S | 41.2 | Very low | 44.3 | Very low | 89 Ų | 89 | 108.6 Ų | 108.6 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | trans | -115 | 113.7 | 165.1 | 50.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 41 | S | 43.6 | Very low | 45.4 | Very low | 98 Ų | 98 | 109.9 Ų | 109.9 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 64.9 | 145.9 | 179.3 | 72.8 | 0 | 0 | 0 | 0 | 117.2 | G43 | S41-G43 PolarHBondContact O-N 2.97Š|
| 42 | P | 44.5 | Very low | 46.7 | Very low | 137 Ų | 137 | 106.6 Ų | 106.6 | 89% | 0.89 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 111.7 | -176.8 | 32.1 | -32.7 | 0 | 0 | 0 | 111.8 | ||
| 43 | G | 51.4 | Low | 47.4 | Very low | 51 Ų | 51 | 104.5 Ų | 104.5 | 53% | 0.526 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 140 | -15.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | S41 | S41-G43 PolarHBondContact O-N 2.97Š|
| 44 | V | 49.2 | Very low | 48.5 | Very low | 50 Ų | 50 | 101.8 Ų | 101.8 | 30% | 0.303 | 64% | 0.644 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.2 | 123 | -178.9 | -176 | 0 | 0 | 0 | 0 | 110.1 | I46 Q56 | V44-I46 HydrophobicContact CG1-CG1 4.44Å; V44-Q56 HydrophobicContact CG1-CB 4.31Å; V44-Q56 HydrophobicContact CG1-CG 4.42Å |
| 45 | T | 55 | Low | 49.2 | Very low | 91 Ų | 91 | 100.1 Ų | 100.1 | 56% | 0.558 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 119.1 | 168.8 | -52.2 | 0 | 0 | 0 | 0 | 108.5 | V47 V57 | T45-V47 HydrophobicContact CG2-CG2 4.4Å; T45-V57 PolarHBondContact O-N 3Å |
| 46 | I | 56.9 | Low | 50.1 | Low | 98 Ų | 98 | 103.9 Ų | 103.9 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 119.1 | 173.8 | -58.1 | 176.3 | 0 | 0 | 0 | 107.4 | V44 T54 | V44-I46 HydrophobicContact CG1-CG1 4.44Å; I46-T54 HydrophobicContact CG2-CG2 3.91Å |
| 47 | V | 55.4 | Low | 50.8 | Low | 73 Ų | 73 | 98.3 Ų | 98.3 | 44% | 0.442 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 122.8 | 173 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | T45 V55 | T45-V47 HydrophobicContact CG2-CG2 4.4Å; V47-V55 PolarHBondContact N-O 3.13Å; V47-V55 VanDerWaalsContact N-O 3.16Å; V47-V55 PolarHBondContact O-N 3.46Å; V47-V55 VanDerWaalsContact O-N 3.1Å |
| 48 | Q | 52.4 | Low | 51.1 | Low | 115 Ų | 115 | 99.2 Ų | 99.2 | 54% | 0.537 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.6 | 116.1 | 179.1 | -173.9 | 73.7 | 64.3 | 0 | 0 | 108.8 | G52 | Q48-G52 PolarHBondContact NE2-O 3.47Å |
| 49 | L | 62.1 | Low | 51.5 | Low | 74 Ų | 74 | 95.1 Ų | 95.1 | 39% | 0.387 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -83.4 | 153.5 | 173.5 | -78.8 | 85.9 | 0 | 0 | 0 | 110.7 | N51 G52 Q53 V55 | L49-N51 VanDerWaalsContact CB-OD1 3.27Å; L49-N51 WeakPolarHBondContact CB-OD1 3.12Å; L49-N51 PolarHBondContact O-N 2.95Å; L49-G52 PolarHBondContact O-N 2.83Å; L49-Q53 PolarHBondContact N-O 3.42Å; L49-Q53 VanDerWaalsContact N-O 3.07Å; L49-V55 HydrophobicContact CD1-CB 4.42Å; L49-V55 HydrophobicContact CD1-CG2 3.89Å |
| 50 | P | 51.4 | Low | 51.8 | Low | 144 Ų | 144 | 96.8 Ų | 96.8 | 94% | 0.935 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -5 | -175.1 | 25.6 | -35.4 | 0 | 0 | 0 | 115 | ||
| 51 | N | 54.8 | Low | 52 | Low | 109 Ų | 109 | 99.6 Ų | 99.6 | 58% | 0.583 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 7.9 | 171.3 | 65.2 | -8 | 0 | 0 | 0 | 113.5 | L49 Q53 | L49-N51 VanDerWaalsContact CB-OD1 3.27Å; L49-N51 WeakPolarHBondContact CB-OD1 3.12Å; L49-N51 PolarHBondContact O-N 2.95Å; N51-Q53 VanDerWaalsContact C-N 3.29Å; N51-Q53 PolarHBondContact O-N 2.94Å; N51-Q53 WeakPolarHBondContact OD1-CB 3.41Å; N51-Q53 PolarHBondContact OD1-N 3.02Å |
| 52 | G | 61.3 | Low | 51.9 | Low | 59 Ų | 59 | 104.2 Ų | 104.2 | 61% | 0.608 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 81.8 | -0.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q48 L49 | Q48-G52 PolarHBondContact NE2-O 3.47Å; L49-G52 PolarHBondContact O-N 2.83Å |
| 53 | Q | 48.6 | Very low | 51.9 | Low | 126 Ų | 126 | 101.4 Ų | 101.4 | 59% | 0.589 | 59% | 0.591 | S | S | * | * | trans | -86.5 | 132 | 179.5 | -153.8 | 167 | 34.3 | 0 | 0 | 111.1 | L49 N51 | L49-Q53 PolarHBondContact N-O 3.42Å; L49-Q53 VanDerWaalsContact N-O 3.07Å; N51-Q53 VanDerWaalsContact C-N 3.29Å; N51-Q53 PolarHBondContact O-N 2.94Å; N51-Q53 WeakPolarHBondContact OD1-CB 3.41Å; N51-Q53 PolarHBondContact OD1-N 3.02Å | ||
| 54 | T | 57.1 | Low | 51.7 | Low | 82 Ų | 82 | 104 Ų | 104 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | 130.2 | 175.6 | 44.7 | 0 | 0 | 0 | 0 | 110.6 | I46 | I46-T54 HydrophobicContact CG2-CG2 3.91Å |
| 55 | V | 53.2 | Low | 51.6 | Low | 68 Ų | 68 | 109.8 Ų | 109.8 | 41% | 0.412 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.2 | 173.4 | -178 | 0 | 0 | 0 | 0 | 108.6 | V47 L49 V57 | V47-V55 PolarHBondContact N-O 3.13Å; V47-V55 VanDerWaalsContact N-O 3.16Å; V47-V55 PolarHBondContact O-N 3.46Å; V47-V55 VanDerWaalsContact O-N 3.1Å; L49-V55 HydrophobicContact CD1-CB 4.42Å; L49-V55 HydrophobicContact CD1-CG2 3.89Å; V55-V57 HydrophobicContact CG1-CG2 3.96Å |
| 56 | Q | 56.1 | Low | 50.9 | Low | 143 Ų | 143 | 110.9 Ų | 110.9 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.4 | 116.6 | 172.8 | -63.1 | -172.7 | 26.9 | 0 | 0 | 108.9 | V44 | V44-Q56 HydrophobicContact CG1-CB 4.31Å; V44-Q56 HydrophobicContact CG1-CG 4.42Å |
| 57 | V | 52.5 | Low | 50 | Low | 77 Ų | 77 | 111.8 Ų | 111.8 | 47% | 0.467 | 66% | 0.655 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.2 | 119.4 | 178.1 | -166.3 | 0 | 0 | 0 | 0 | 108.8 | T45 V55 G59 | T45-V57 PolarHBondContact O-N 3Å; V55-V57 HydrophobicContact CG1-CG2 3.96Å; V57-G59 PolarHBondContact O-N 3.13Å; V57-G59 VanDerWaalsContact O-N 3.13Å |
| 58 | H | 45.8 | Very low | 49.2 | Very low | 153 Ų | 153 | 114.6 Ų | 114.6 | 71% | 0.708 | 67% | 0.672 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.8 | 98.4 | 173 | -100.9 | 74.6 | 0 | 0 | 0 | 109.4 | ||
| 59 | G | 50.8 | Low | 48.5 | Very low | 44 Ų | 44 | 116.6 Ų | 116.6 | 45% | 0.454 | 69% | 0.685 | S | S | . | * | trans | -80.5 | 118.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V57 I61 | V57-G59 PolarHBondContact O-N 3.13Å; V57-G59 VanDerWaalsContact O-N 3.13Å; G59-I61 PolarHBondContact O-N 2.94Å | ||
| 60 | V | 44.9 | Very low | 47.2 | Very low | 152 Ų | 152 | 121.4 Ų | 121.4 | 92% | 0.921 | 71% | 0.705 | S | S | * | * | trans | -78.5 | 73.7 | 168.2 | -174.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 61 | I | 45.3 | Very low | 46.6 | Very low | 148 Ų | 148 | 119.1 Ų | 119.1 | 76% | 0.759 | 69% | 0.693 | S | S | * | * | trans | -123 | 104.6 | 171.8 | -58.1 | -177.8 | 0 | 0 | 0 | 108.7 | G59 A63 | G59-I61 PolarHBondContact O-N 2.94Å; I61-A63 PolarHBondContact O-N 3.13Å | ||
| 62 | Q | 41.5 | Very low | 46 | Very low | 195 Ų | 195 | 119.9 Ų | 119.9 | 91% | 0.911 | 70% | 0.704 | S | S | * | * | trans | -75.8 | 90.7 | 174.3 | -172 | 173.1 | 17.6 | 0 | 0 | 109.5 | A64 | Q62-A64 PolarHBondContact O-N 3.11Š| ||
| 63 | A | 44.1 | Very low | 44.9 | Very low | 77 Ų | 77 | 126 Ų | 126 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | trans | -62 | 131.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I61 Q65 | I61-A63 PolarHBondContact O-N 3.13Å; A63-Q65 PolarHBondContact O-N 3.42Å; A63-Q65 VanDerWaalsContact O-N 3.08Å | ||
| 64 | A | 47.4 | Very low | 44.4 | Very low | 105 Ų | 105 | 127 Ų | 127 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | trans | -68.7 | 105.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | Q62 | Q62-A64 PolarHBondContact O-N 3.11Š| ||
| 65 | Q | 47.9 | Very low | 43.4 | Very low | 172 Ų | 172 | 131.7 Ų | 131.7 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | trans | -78.3 | 137.4 | 176 | -65 | -160.7 | 2.8 | 0 | 0 | 111.3 | A63 | A63-Q65 PolarHBondContact O-N 3.42Å; A63-Q65 VanDerWaalsContact O-N 3.08Å | ||
| 66 | P | 39.6 | Very low | 42.9 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -69.5 | 129.7 | 167 | 29.9 | -32.5 | 0 | 0 | 0 | 109.6 | V68 | P66-V68 PolarHBondContact O-N 3.34Å; P66-V68 VanDerWaalsContact O-N 3.13Å | ||
| 67 | S | 37.4 | Very low | 41.9 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -61.6 | 112.7 | -174.4 | -53.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 68 | V | 38.7 | Very low | 41.3 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -87.8 | 112.1 | 163.9 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | P66 Q70 | P66-V68 PolarHBondContact O-N 3.34Å; P66-V68 VanDerWaalsContact O-N 3.13Å; V68-Q70 PolarHBondContact O-N 3.4Å | ||
| 69 | I | 39 | Very low | 40.8 | Very low | 156 Ų | 156 | 138 Ų | 138 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | trans | -79.9 | 98.5 | 172.8 | -60.7 | 174.6 | 0 | 0 | 0 | 108 | ||||
| 70 | Q | 34.1 | Very low | 40 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -96.7 | 109.9 | 168.2 | -169 | 171.2 | 5.4 | 0 | 0 | 109.1 | V68 | V68-Q70 PolarHBondContact O-N 3.4Š| ||
| 71 | S | 38.1 | Very low | 39.8 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 129.2 | 176 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | ||
| 72 | P | 41.5 | Very low | 39.5 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 136.6 | 174 | -18.1 | 31.4 | 0 | 0 | 0 | 110.9 | ||
| 73 | Q | 38.6 | Very low | 39.8 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 147 | 172.8 | -63.7 | -176.2 | -3.3 | 0 | 0 | 110.2 | Q75 | Q73-Q75 PolarHBondContact O-N 2.94Š|
| 74 | V | 39.6 | Very low | 39.5 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 117.2 | -176.3 | -154.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 75 | Q | 34.7 | Very low | 39.6 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -122.7 | 116.2 | 162.6 | -92 | -179.1 | -13.5 | 0 | 0 | 109.3 | Q73 V77 | Q73-Q75 PolarHBondContact O-N 2.94Å; Q75-V77 PolarHBondContact O-N 3.46Å | ||
| 76 | A | 42.9 | Very low | 39.5 | Very low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -75.8 | 119.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 77 | V | 34.7 | Very low | 40.1 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 70% | 0.697 | 81% | 0.811 | S | S | * | * | trans | -122.8 | 119.7 | 167.1 | 178.9 | 0 | 0 | 0 | 0 | 107.1 | Q75 I79 | Q75-V77 PolarHBondContact O-N 3.46Å; V77-I79 HydrophobicContact CG1-CG1 4.25Å; V77-I79 PolarHBondContact O-N 3.46Å | ||
| 78 | Q | 41.4 | Very low | 41 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | trans | -66.3 | 126.7 | 172.2 | -70 | 172.7 | -23.1 | 0 | 0 | 108.9 | ||||
| 79 | I | 34.5 | Very low | 41.4 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | trans | -127.8 | 134.3 | 166.5 | -60 | -176.6 | 0 | 0 | 0 | 108.3 | V77 | V77-I79 HydrophobicContact CG1-CG1 4.25Å; V77-I79 PolarHBondContact O-N 3.46Å | ||
| 80 | S | 33.1 | Very low | 42 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | -61.2 | 150.4 | -172.5 | -172.1 | 0 | 0 | 0 | 0 | 113.1 | V82 | S80-V82 PolarHBondContact O-N 3.31Š| ||
| 81 | T | 42.3 | Very low | 42.9 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -50.4 | 128 | 164.8 | 43.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 82 | V | 38.5 | Very low | 43.7 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | -129 | 130.3 | 150.4 | -72.4 | 0 | 0 | 0 | 0 | 107.4 | S80 | S80-V82 PolarHBondContact O-N 3.31Š| ||
| 83 | E | 47 | Very low | 44.4 | Very low | 192 Ų | 192 | 138.5 Ų | 138.5 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -74.2 | 130.7 | -178.4 | -63.4 | 170.2 | 127.9 | 0 | 0 | 109.4 | ||||
| 84 | S | 38 | Very low | 45.4 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -140.5 | 106.2 | 167.6 | -85.9 | 0 | 0 | 0 | 0 | 108.6 | D86 | S84-D86 PolarHBondContact O-N 3.21Å; S84-D86 VanDerWaalsContact O-N 3.07Å | ||
| 85 | E | 49.3 | Very low | 46.9 | Very low | 194 Ų | 194 | 128.7 Ų | 128.7 | 91% | 0.907 | 73% | 0.725 | S | S | * | * | trans | -76.1 | 86.3 | 177.7 | -59.7 | -174.4 | 106.8 | 0 | 0 | 110.5 | ||||
| 86 | D | 47 | Very low | 48.7 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | -130.2 | 96.8 | 160.9 | -162.6 | 7.9 | 0 | 0 | 0 | 110.6 | S84 | S84-D86 PolarHBondContact O-N 3.21Å; S84-D86 VanDerWaalsContact O-N 3.07Å | ||
| 87 | S | 52.1 | Low | 50.1 | Low | 112 Ų | 112 | 123.4 Ų | 123.4 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | trans | -147.7 | 33.3 | 178.5 | -73.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 88 | Q | 55.2 | Low | 52 | Low | 158 Ų | 158 | 123.6 Ų | 123.6 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | trans | -97.4 | -5.4 | -173.1 | -63.6 | -170.7 | 8.3 | 0 | 0 | 114.5 | S90 | Q88-S90 VanDerWaalsContact C-N 3.31Å; Q88-S90 PolarHBondContact O-N 3.34Å | ||
| 89 | E | 47.9 | Very low | 53.7 | Low | 180 Ų | 180 | 120.4 Ų | 120.4 | 84% | 0.841 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -6.9 | 177.8 | 70 | 176.8 | 120.9 | 0 | 0 | 115.1 | ||
| 90 | S | 51.5 | Low | 55.7 | Low | 80 Ų | 80 | 120.7 Ų | 120.7 | 56% | 0.559 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -38.6 | -179.6 | -175.9 | 0 | 0 | 0 | 0 | 113.3 | Q88 D92 S93 | Q88-S90 VanDerWaalsContact C-N 3.31Å; Q88-S90 PolarHBondContact O-N 3.34Å; S90-D92 VanDerWaalsContact C-N 3.35Å; S90-D92 PolarHBondContact O-N 2.88Å; S90-S93 PolarHBondContact O-N 2.94Å; S90-S93 PolarHBondContact O-OG 3.24Å |
| 91 | V | 54 | Low | 57.9 | Low | 98 Ų | 98 | 124.6 Ų | 124.6 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.2 | -31.8 | -169.1 | -60.9 | 0 | 0 | 0 | 0 | 113.6 | S93 V94 T95 | V91-S93 VanDerWaalsContact C-N 3.28Å; V91-S93 PolarHBondContact O-N 3.18Å; V91-V94 PolarHBondContact O-N 3.05Å; V91-T95 PolarHBondContact O-N 3.05Å |
| 92 | D | 53.6 | Low | 59.2 | Low | 116 Ų | 116 | 123.1 Ų | 123.1 | 62% | 0.62 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.8 | -19.9 | -173.8 | -150.2 | 35.6 | 0 | 0 | 0 | 112.8 | S90 T95 D96 | S90-D92 VanDerWaalsContact C-N 3.35Å; S90-D92 PolarHBondContact O-N 2.88Å; D92-T95 WeakPolarHBondContact CA-OG1 3.45Å; D92-T95 PolarHBondContact O-OG1 3.13Å; D92-T95 PolarHBondContact OD1-OG1 2.93Å; D92-T95 VanDerWaalsContact OD1-OG1 3.12Å; D92-D96 PolarHBondContact O-N 3.28Å |
| 93 | S | 56.8 | Low | 60.7 | Low | 79 Ų | 79 | 121.9 Ų | 121.9 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -72 | -30.4 | 172.1 | 73.6 | 0 | 0 | 0 | 0 | 112.9 | S90 V91 S97 | S90-S93 PolarHBondContact O-N 2.94Å; S90-S93 PolarHBondContact O-OG 3.24Å; V91-S93 VanDerWaalsContact C-N 3.28Å; V91-S93 PolarHBondContact O-N 3.18Å; S93-S97 PolarHBondContact O-N 3.31Å |
| 94 | V | 60.1 | Low | 61.4 | Low | 77 Ų | 77 | 117.6 Ų | 117.6 | 47% | 0.467 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -79.1 | -40.9 | 179 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | V91 S97 Q98 | V91-V94 PolarHBondContact O-N 3.05Å; V94-S97 PolarHBondContact O-N 3.16Å; V94-Q98 WeakPolarHBondContact O-CB 3.46Å; V94-Q98 WeakPolarHBondContact O-CG 3.36Å; V94-Q98 PolarHBondContact O-N 3.05Å |
| 95 | T | 70.1 | Confident | 62.7 | Low | 52 Ų | 52 | 116.4 Ų | 116.4 | 32% | 0.319 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.1 | -39.3 | 178.2 | 59 | 0 | 0 | 0 | 0 | 112.4 | V91 D92 Q98 K99 | V91-T95 PolarHBondContact O-N 3.05Å; D92-T95 WeakPolarHBondContact CA-OG1 3.45Å; D92-T95 PolarHBondContact O-OG1 3.13Å; D92-T95 PolarHBondContact OD1-OG1 2.93Å; D92-T95 VanDerWaalsContact OD1-OG1 3.12Å; T95-Q98 PolarHBondContact O-N 3.37Å; T95-K99 WeakPolarHBondContact O-CB 3.49Å; T95-K99 WeakPolarHBondContact O-CG 3.23Å; T95-K99 PolarHBondContact O-N 3.47Å |
| 96 | D | 72.4 | Confident | 63.5 | Low | 105 Ų | 105 | 116.1 Ų | 116.1 | 56% | 0.561 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.9 | -44.9 | 174.5 | -176.9 | 68.7 | 0 | 0 | 0 | 111.7 | D92 Q98 K99 R100 | D92-D96 PolarHBondContact O-N 3.28Å; D96-Q98 VanDerWaalsContact C-N 3.29Å; D96-Q98 PolarHBondContact O-N 3.39Å; D96-K99 PolarHBondContact O-N 3.22Å; D96-R100 VanDerWaalsContact O-CB 3.29Å; D96-R100 WeakPolarHBondContact O-CB 3.48Å; D96-R100 PolarHBondContact O-N 3.23Å |
| 97 | S | 73.5 | Confident | 64.6 | Low | 68 Ų | 68 | 117.8 Ų | 117.8 | 48% | 0.476 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.3 | -38.7 | 175.6 | -171.6 | 0 | 0 | 0 | 0 | 112.3 | S93 V94 R101 | S93-S97 PolarHBondContact O-N 3.31Å; V94-S97 PolarHBondContact O-N 3.16Å; S97-R101 WeakPolarHBondContact O-CB 3.49Å; S97-R101 PolarHBondContact O-N 3.42Å |
| 98 | Q | 73.4 | Confident | 65 | Low | 119 Ų | 119 | 115.6 Ų | 115.6 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69 | -47.3 | 173.6 | -75.8 | 174.6 | -29.7 | 0 | 0 | 112.4 | V94 T95 D96 R100 R101 E102 | V94-Q98 WeakPolarHBondContact O-CB 3.46Å; V94-Q98 WeakPolarHBondContact O-CG 3.36Å; V94-Q98 PolarHBondContact O-N 3.05Å; T95-Q98 PolarHBondContact O-N 3.37Å; D96-Q98 VanDerWaalsContact C-N 3.29Å; D96-Q98 PolarHBondContact O-N 3.39Å; Q98-R100 VanDerWaalsContact C-N 3.34Å; Q98-R100 PolarHBondContact O-N 3.12Å; Q98-R101 WeakPolarHBondContact O-CB 3.34Å; Q98-R101 PolarHBondContact O-N 3Å; Q98-R101 VanDerWaalsContact O-N 3.14Å; Q98-E102 PolarHBondContact O-N 2.96Å |
| 99 | K | 77.1 | Confident | 65.9 | Low | 131 Ų | 131 | 111.6 Ų | 111.6 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.2 | -44.2 | 174.6 | -81.9 | 176 | 176.4 | 170.2 | 0 | 111.9 | T95 D96 R101 E102 I103 | T95-K99 WeakPolarHBondContact O-CB 3.49Å; T95-K99 WeakPolarHBondContact O-CG 3.23Å; T95-K99 PolarHBondContact O-N 3.47Å; D96-K99 PolarHBondContact O-N 3.22Å; K99-R101 VanDerWaalsContact C-N 3.32Å; K99-R101 PolarHBondContact O-N 2.99Å; K99-E102 PolarHBondContact O-N 3.15Å; K99-I103 VanDerWaalsContact O-CG1 3.28Å; K99-I103 WeakPolarHBondContact O-CG1 3.46Å; K99-I103 PolarHBondContact O-N 3.11Å |
| 100 | R | 76.8 | Confident | 66.7 | Low | 161 Ų | 161 | 111.6 Ų | 111.6 | 61% | 0.608 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.3 | -39.9 | 176.2 | -170.5 | 178.3 | -175.2 | -78.8 | -2.1 | 111.5 | D96 Q98 L104 | D96-R100 VanDerWaalsContact O-CB 3.29Å; D96-R100 WeakPolarHBondContact O-CB 3.48Å; D96-R100 PolarHBondContact O-N 3.23Å; Q98-R100 VanDerWaalsContact C-N 3.34Å; Q98-R100 PolarHBondContact O-N 3.12Å; R100-L104 HydrophobicContact CG-CD1 4.35Å; R100-L104 WeakPolarHBondContact O-CB 3.3Å; R100-L104 WeakPolarHBondContact O-CD1 3.4Å; R100-L104 VanDerWaalsContact O-CG 3.23Å; R100-L104 WeakPolarHBondContact O-CG 3.29Å; R100-L104 PolarHBondContact O-N 3.11Å |
| 101 | R | 78.7 | Confident | 67.5 | Low | 182 Ų | 182 | 117.9 Ų | 117.9 | 69% | 0.687 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.7 | -41.8 | 173.6 | -173.4 | -177.7 | -63.3 | -121.2 | 1.1 | 111.6 | S97 Q98 K99 L104 S105 | S97-R101 WeakPolarHBondContact O-CB 3.49Å; S97-R101 PolarHBondContact O-N 3.42Å; Q98-R101 WeakPolarHBondContact O-CB 3.34Å; Q98-R101 PolarHBondContact O-N 3Å; Q98-R101 VanDerWaalsContact O-N 3.14Å; K99-R101 VanDerWaalsContact C-N 3.32Å; K99-R101 PolarHBondContact O-N 2.99Å; R101-L104 PolarHBondContact O-N 2.96Å; R101-S105 PolarHBondContact O-N 2.95Å; R101-S105 PolarHBondContact O-OG 3.41Å |
| 102 | E | 70.8 | Confident | 68.4 | Low | 98 Ų | 98 | 118.8 Ų | 118.8 | 46% | 0.458 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.9 | -41.1 | 179.2 | -159.4 | -165.1 | 153 | 0 | 0 | 112.5 | Q98 K99 L104 S105 R106 | Q98-E102 PolarHBondContact O-N 2.96Å; K99-E102 PolarHBondContact O-N 3.15Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 2.89Å; E102-S105 WeakPolarHBondContact CA-OG 2.95Å; E102-S105 PolarHBondContact O-N 3.37Å; E102-S105 PolarHBondContact O-OG 2.93Å; E102-S105 VanDerWaalsContact O-OG 3.12Å; E102-R106 HydrophobicContact CG-CG 4.4Å; E102-R106 VanDerWaalsContact O-CB 3.26Å; E102-R106 WeakPolarHBondContact O-CB 3.47Å; E102-R106 VanDerWaalsContact O-CG 3.3Å; E102-R106 WeakPolarHBondContact O-CG 3.48Å; E102-R106 PolarHBondContact O-N 2.88Å; E102-R106 IonicContact OE1-CZ 3.82Å; E102-R106 IonicContact OE1-NE 2.92Å; E102-R106 PolarHBondContact OE1-NE 2.9Å; E102-R106 IonicContact OE1-NH2 3.87Å |
| 103 | I | 69.4 | Low | 69.3 | Low | 110 Ų | 110 | 116.3 Ų | 116.3 | 56% | 0.564 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.4 | -37.6 | 174.3 | -67.9 | 162.9 | 0 | 0 | 0 | 110.8 | K99 R107 | K99-I103 VanDerWaalsContact O-CG1 3.28Å; K99-I103 WeakPolarHBondContact O-CG1 3.46Å; K99-I103 PolarHBondContact O-N 3.11Å; I103-R107 PolarHBondContact O-N 2.97Å |
| 104 | L | 62.7 | Low | 69.8 | Low | 102 Ų | 102 | 116.5 Ų | 116.5 | 53% | 0.534 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -74.5 | -30.8 | 177.8 | -70.6 | 170.8 | 0 | 0 | 0 | 113.3 | R100 R101 E102 | R100-L104 HydrophobicContact CG-CD1 4.35Å; R100-L104 WeakPolarHBondContact O-CB 3.3Å; R100-L104 WeakPolarHBondContact O-CD1 3.4Å; R100-L104 VanDerWaalsContact O-CG 3.23Å; R100-L104 WeakPolarHBondContact O-CG 3.29Å; R100-L104 PolarHBondContact O-N 3.11Å; R101-L104 PolarHBondContact O-N 2.96Å; E102-L104 VanDerWaalsContact C-N 3.27Å; E102-L104 PolarHBondContact O-N 2.89Å |
| 105 | S | 64.9 | Low | 70.3 | Confident | 90 Ų | 90 | 117.6 Ų | 117.6 | 63% | 0.629 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -84.1 | -25.6 | 175.9 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | R101 E102 | R101-S105 PolarHBondContact O-N 2.95Å; R101-S105 PolarHBondContact O-OG 3.41Å; E102-S105 WeakPolarHBondContact CA-OG 2.95Å; E102-S105 PolarHBondContact O-N 3.37Å; E102-S105 PolarHBondContact O-OG 2.93Å; E102-S105 VanDerWaalsContact O-OG 3.12Å |
| 106 | R | 65.1 | Low | 70.3 | Confident | 188 Ų | 188 | 119.3 Ų | 119.3 | 71% | 0.709 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -73.6 | -23.4 | 173.3 | -80.8 | 173.2 | 155.6 | -91.5 | -1.9 | 113.7 | E102 | E102-R106 HydrophobicContact CG-CG 4.4Å; E102-R106 VanDerWaalsContact O-CB 3.26Å; E102-R106 WeakPolarHBondContact O-CB 3.47Å; E102-R106 VanDerWaalsContact O-CG 3.3Å; E102-R106 WeakPolarHBondContact O-CG 3.48Å; E102-R106 PolarHBondContact O-N 2.88Å; E102-R106 IonicContact OE1-CZ 3.82Å; E102-R106 IonicContact OE1-NE 2.92Å; E102-R106 PolarHBondContact OE1-NE 2.9Å; E102-R106 IonicContact OE1-NH2 3.87Å |
| 107 | R | 70.1 | Confident | 70.2 | Confident | 167 Ų | 167 | 121 Ų | 121 | 63% | 0.63 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -72.2 | 138.4 | 169.8 | -71.9 | 179.8 | 73.7 | 142.3 | 2.5 | 109 | I103 S109 | I103-R107 PolarHBondContact O-N 2.97Å; R107-S109 PolarHBondContact O-N 3.33Å |
| 108 | P | 61.6 | Low | 69.8 | Low | 66 Ų | 66 | 122.2 Ų | 122.2 | 43% | 0.429 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -48.2 | 131.4 | 160.7 | -24.3 | 34.1 | 0 | 0 | 0 | 108.4 | K112 I113 | P108-K112 HydrophobicContact CB-CB 4.13Å; P108-K112 HydrophobicContact CB-CD 4.15Å; P108-K112 HydrophobicContact CB-CG 4.21Å; P108-I113 HydrophobicContact CB-CG1 3.97Å |
| 109 | S | 72.6 | Confident | 69.3 | Low | 74 Ų | 74 | 120.7 Ų | 120.7 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 149.2 | 178.4 | 68.3 | 0 | 0 | 0 | 0 | 109.2 | R107 R111 K112 I113 | R107-S109 PolarHBondContact O-N 3.33Å; S109-R111 PolarHBondContact O-N 3.2Å; S109-K112 WeakPolarHBondContact O-CA 3.47Å; S109-K112 WeakPolarHBondContact O-CB 3.45Å; S109-K112 PolarHBondContact O-N 2.76Å; S109-K112 PolarHBondContact OG-N 2.84Å; S109-I113 PolarHBondContact O-N 3.02Å |
| 110 | Y | 65.8 | Low | 67.9 | Low | 181 Ų | 181 | 120.4 Ų | 120.4 | 71% | 0.71 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -49.4 | -36 | 177.7 | 173.4 | -106.6 | 0 | 0 | 0 | 111.8 | K112 I113 L114 | Y110-K112 PolarHBondContact O-N 3.43Å; Y110-I113 PolarHBondContact O-N 2.67Å; Y110-L114 HydrophobicContact CE1-CD1 4.35Å; Y110-L114 HydrophobicContact CE2-CD1 4.42Å; Y110-L114 WeakPolarHBondContact O-CB 3.4Å; Y110-L114 PolarHBondContact O-N 3.46Å |
| 111 | R | 68.8 | Low | 66.7 | Low | 211 Ų | 211 | 117.3 Ų | 117.3 | 80% | 0.796 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.1 | -36.5 | 173.8 | -147 | -176 | -156.9 | 172.3 | 6.4 | 114.2 | S109 N115 | S109-R111 PolarHBondContact O-N 3.2Å; R111-N115 WeakPolarHBondContact O-CB 3.43Å; R111-N115 PolarHBondContact O-N 3.18Å |
| 112 | K | 72.3 | Confident | 65.3 | Low | 118 Ų | 118 | 113.7 Ų | 113.7 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -72.8 | -46.5 | 176 | -176.8 | 166.8 | 175.6 | -177.7 | 0 | 110.9 | P108 S109 Y110 L114 N115 D116 | P108-K112 HydrophobicContact CB-CB 4.13Å; P108-K112 HydrophobicContact CB-CD 4.15Å; P108-K112 HydrophobicContact CB-CG 4.21Å; S109-K112 WeakPolarHBondContact O-CA 3.47Å; S109-K112 WeakPolarHBondContact O-CB 3.45Å; S109-K112 PolarHBondContact O-N 2.76Å; S109-K112 PolarHBondContact OG-N 2.84Å; Y110-K112 PolarHBondContact O-N 3.43Å; K112-L114 VanDerWaalsContact C-N 3.28Å; K112-L114 PolarHBondContact O-N 3.05Å; K112-N115 PolarHBondContact O-N 3.32Å; K112-D116 PolarHBondContact O-N 3.08Å |
| 113 | I | 73.4 | Confident | 64.1 | Low | 63 Ų | 63 | 113.5 Ų | 113.5 | 32% | 0.323 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -58.7 | -41.7 | 175.8 | -52.9 | 179.6 | 0 | 0 | 0 | 111 | P108 S109 Y110 N115 L117 | P108-I113 HydrophobicContact CB-CG1 3.97Å; S109-I113 PolarHBondContact O-N 3.02Å; Y110-I113 PolarHBondContact O-N 2.67Å; I113-N115 VanDerWaalsContact C-N 3.32Å; I113-N115 PolarHBondContact O-N 2.93Å; I113-L117 HydrophobicContact CG2-CD1 4.08Å; I113-L117 WeakPolarHBondContact O-CB 3.22Å; I113-L117 VanDerWaalsContact O-CG 3.29Å; I113-L117 WeakPolarHBondContact O-CG 3.48Å; I113-L117 PolarHBondContact O-N 2.83Å |
| 114 | L | 67.1 | Low | 62.8 | Low | 83 Ų | 83 | 114.3 Ų | 114.3 | 44% | 0.435 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.8 | -35.6 | 177.1 | -154.4 | 87.1 | 0 | 0 | 0 | 112.5 | Y110 K112 S118 | Y110-L114 HydrophobicContact CE1-CD1 4.35Å; Y110-L114 HydrophobicContact CE2-CD1 4.42Å; Y110-L114 WeakPolarHBondContact O-CB 3.4Å; Y110-L114 PolarHBondContact O-N 3.46Å; K112-L114 VanDerWaalsContact C-N 3.28Å; K112-L114 PolarHBondContact O-N 3.05Å; L114-S118 WeakPolarHBondContact O-CB 3.29Å; L114-S118 PolarHBondContact O-N 2.92Å; L114-S118 VanDerWaalsContact O-N 3.12Å; L114-S118 PolarHBondContact O-OG 3.36Å |
| 115 | N | 70.1 | Confident | 61.9 | Low | 100 Ų | 100 | 114.8 Ų | 114.8 | 54% | 0.535 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -75.1 | -43.2 | 179 | -161.1 | -3.7 | 0 | 0 | 0 | 111.5 | R111 K112 I113 L117 S118 S119 | R111-N115 WeakPolarHBondContact O-CB 3.43Å; R111-N115 PolarHBondContact O-N 3.18Å; K112-N115 PolarHBondContact O-N 3.32Å; I113-N115 VanDerWaalsContact C-N 3.32Å; I113-N115 PolarHBondContact O-N 2.93Å; N115-L117 VanDerWaalsContact C-N 3.32Å; N115-L117 PolarHBondContact O-N 3.18Å; N115-S118 CarbonylContact O-C 3.6Å; N115-S118 PolarHBondContact O-N 3.37Å; N115-S119 VanDerWaalsContact O-CB 3.3Å; N115-S119 WeakPolarHBondContact O-CB 3.21Å; N115-S119 PolarHBondContact O-N 3.07Å; N115-S119 PolarHBondContact O-OG 3.26Å; N115-S119 PolarHBondContact OD1-OG 2.99Å |
| 116 | D | 70.8 | Confident | 61.1 | Low | 89 Ų | 89 | 120.9 Ų | 120.9 | 48% | 0.476 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -58.2 | -44.2 | 173.7 | -59.1 | -18.2 | 0 | 0 | 0 | 110.4 | K112 S118 S119 | K112-D116 PolarHBondContact O-N 3.08Å; D116-S118 VanDerWaalsContact C-N 3.29Å; D116-S118 PolarHBondContact O-N 3.28Å; D116-S119 PolarHBondContact O-N 3.43Å |
| 117 | L | 69.9 | Low | 60.2 | Low | 139 Ų | 139 | 119.9 Ų | 119.9 | 73% | 0.728 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.6 | -21 | 173.8 | -72.4 | 171.1 | 0 | 0 | 0 | 114.6 | I113 N115 | I113-L117 HydrophobicContact CG2-CD1 4.08Å; I113-L117 WeakPolarHBondContact O-CB 3.22Å; I113-L117 VanDerWaalsContact O-CG 3.29Å; I113-L117 WeakPolarHBondContact O-CG 3.48Å; I113-L117 PolarHBondContact O-N 2.83Å; N115-L117 VanDerWaalsContact C-N 3.32Å; N115-L117 PolarHBondContact O-N 3.18Å |
| 118 | S | 65.5 | Low | 58.9 | Low | 94 Ų | 94 | 119.3 Ų | 119.3 | 66% | 0.657 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -90.5 | -13.3 | 178.1 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | L114 N115 D116 | L114-S118 WeakPolarHBondContact O-CB 3.29Å; L114-S118 PolarHBondContact O-N 2.92Å; L114-S118 VanDerWaalsContact O-N 3.12Å; L114-S118 PolarHBondContact O-OG 3.36Å; N115-S118 CarbonylContact O-C 3.6Å; N115-S118 PolarHBondContact O-N 3.37Å; D116-S118 VanDerWaalsContact C-N 3.29Å; D116-S118 PolarHBondContact O-N 3.28Å |
| 119 | S | 61.7 | Low | 58.1 | Low | 87 Ų | 87 | 125.1 Ų | 125.1 | 61% | 0.608 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -111.4 | -8.6 | -165.7 | -58.7 | 0 | 0 | 0 | 0 | 115.2 | N115 D116 | N115-S119 VanDerWaalsContact O-CB 3.3Å; N115-S119 WeakPolarHBondContact O-CB 3.21Å; N115-S119 PolarHBondContact O-N 3.07Å; N115-S119 PolarHBondContact O-OG 3.26Å; N115-S119 PolarHBondContact OD1-OG 2.99Å; D116-S119 PolarHBondContact O-N 3.43Å |
| 120 | D | 48 | Very low | 56.2 | Low | 125 Ų | 125 | 131.1 Ų | 131.1 | 67% | 0.668 | 69% | 0.687 | S | S | * | * | trans | -136.8 | 96.5 | -178.8 | -164.9 | 15.5 | 0 | 0 | 0 | 112.3 | P122 | D120-P122 WeakPolarHBondContact O-CD 3.2Š| ||
| 121 | A | 52.2 | Low | 55.2 | Low | 97 Ų | 97 | 130.7 Ų | 130.7 | 80% | 0.802 | 69% | 0.689 | S | S | * | * | trans | -108.1 | 92.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | A123 | A121-A123 PolarHBondContact O-N 3.34Š| ||
| 122 | P | 48.7 | Very low | 53.8 | Low | 105 Ų | 105 | 126.2 Ų | 126.2 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 137.3 | 179.1 | 24.6 | -33.3 | 0 | 0 | 0 | 110.4 | D120 V124 | D120-P122 WeakPolarHBondContact O-CD 3.2Å; P122-V124 PolarHBondContact O-N 3.31Å |
| 123 | A | 45 | Very low | 52.6 | Low | 94 Ų | 94 | 128.3 Ų | 128.3 | 78% | 0.777 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 131.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A121 P125 | A121-A123 PolarHBondContact O-N 3.34Å; A123-P125 WeakPolarHBondContact O-CD 3.1Å |
| 124 | V | 42.5 | Very low | 51 | Low | 127 Ų | 127 | 133.1 Ų | 133.1 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 125.3 | 172.5 | 177.8 | 0 | 0 | 0 | 0 | 110 | P122 R126 | P122-V124 PolarHBondContact O-N 3.31Å; V124-R126 PolarHBondContact O-N 2.84Å; V124-R126 VanDerWaalsContact O-N 3.13Å |
| 125 | P | 43.3 | Very low | 50 | Low | 113 Ų | 113 | 136.1 Ų | 136.1 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -65.6 | 109.7 | 160.8 | -17.2 | 31.9 | 0 | 0 | 0 | 108.7 | A123 I127 | A123-P125 WeakPolarHBondContact O-CD 3.1Å; P125-I127 PolarHBondContact O-N 2.92Å | ||
| 126 | R | 48.1 | Very low | 48.7 | Very low | 218 Ų | 218 | 136.7 Ų | 136.7 | 82% | 0.823 | 76% | 0.756 | S | S | * | * | trans | -56.2 | 125.6 | 167.9 | -97.1 | -176.1 | 174.6 | 173.7 | -2.2 | 108.8 | V124 | V124-R126 PolarHBondContact O-N 2.84Å; V124-R126 VanDerWaalsContact O-N 3.13Å | ||
| 127 | I | 47.1 | Very low | 47.4 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | trans | -104.4 | 126.5 | 155.5 | -63 | 175.8 | 0 | 0 | 0 | 105.2 | P125 | P125-I127 PolarHBondContact O-N 2.92Š| ||
| 128 | E | 42.7 | Very low | 46 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | -81.5 | 168.5 | -176.6 | -67.8 | -177.8 | 148.7 | 0 | 0 | 111.7 | ||||
| 129 | E | 44.1 | Very low | 44.9 | Very low | 188 Ų | 188 | 134.4 Ų | 134.4 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | trans | -38.9 | 142.1 | -171.3 | -51.9 | 176.3 | 141.5 | 0 | 0 | 116.6 | ||||
| 130 | E | 34 | Very low | 44 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 94% | 0.935 | 78% | 0.778 | S | S | * | * | -141 | 147.1 | 122.7 | -82.2 | -147 | 129.3 | 0 | 0 | 110.6 | |||||
| 131 | K | 43.4 | Very low | 43.7 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | -102.5 | 117.9 | -178.2 | 171.6 | -176.1 | 170.5 | -178.4 | 0 | 109.4 | E133 | K131-E133 WeakPolarHBondContact CE-OE2 3.43Å; K131-E133 IonicContact NZ-OE2 3.21Å; K131-E133 PolarHBondContact NZ-OE2 2.99Å | ||
| 132 | S | 40 | Very low | 43.2 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -130.2 | 115.8 | 162.7 | 52.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 133 | E | 46.4 | Very low | 42.8 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -80.6 | 116.6 | 165.8 | -68.2 | 163.9 | 114.4 | 0 | 0 | 107.5 | K131 | K131-E133 WeakPolarHBondContact CE-OE2 3.43Å; K131-E133 IonicContact NZ-OE2 3.21Å; K131-E133 PolarHBondContact NZ-OE2 2.99Å | ||
| 134 | D | 39.7 | Very low | 42.9 | Very low | 164 Ų | 164 | 139.3 Ų | 139.3 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | trans | -156.3 | 151.8 | 142.2 | -149.8 | 0.7 | 0 | 0 | 0 | 112.5 | ||||
| 135 | D | 47.9 | Very low | 43.2 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -89.4 | 106.5 | -176.1 | 175.5 | 38.6 | 0 | 0 | 0 | 111.7 | ||||
| 136 | S | 42.3 | Very low | 43.9 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -159.5 | 97.1 | 159.2 | -129.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 137 | G | 43.4 | Very low | 44.8 | Very low | 61 Ų | 61 | 133.2 Ų | 133.2 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | -64.5 | 136.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A139 | G137-A139 PolarHBondContact O-N 2.89Å; G137-A139 VanDerWaalsContact O-N 3.11Å | ||
| 138 | P | 40.9 | Very low | 45.8 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -65.1 | 117.4 | 177 | 26.9 | -33.1 | 0 | 0 | 0 | 109.4 | I140 | P138-I140 PolarHBondContact O-N 2.9Š| ||
| 139 | A | 40.7 | Very low | 47.4 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 78% | 0.777 | 73% | 0.727 | S | S | * | * | trans | -59.1 | 108.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G137 T141 | G137-A139 PolarHBondContact O-N 2.89Å; G137-A139 VanDerWaalsContact O-N 3.11Å; A139-T141 PolarHBondContact O-N 3.14Å | ||
| 140 | I | 44.5 | Very low | 48.9 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | trans | -73 | 98.1 | 177.5 | -55 | 175.5 | 0 | 0 | 0 | 107.6 | P138 T142 | P138-I140 PolarHBondContact O-N 2.9Å; I140-T142 VanDerWaalsContact C-N 3.26Å; I140-T142 HydrophobicContact CG2-CG2 3.94Å; I140-T142 PolarHBondContact O-N 2.83Å | ||
| 141 | T | 40.5 | Very low | 50.9 | Low | 121 Ų | 121 | 119.8 Ų | 119.8 | 74% | 0.742 | 69% | 0.691 | S | S | * | * | trans | -66 | 87.7 | 168.1 | -57 | 0 | 0 | 0 | 0 | 109.1 | A139 V143 | A139-T141 PolarHBondContact O-N 3.14Å; T141-V143 HydrophobicContact CG2-CG2 4.31Å; T141-V143 PolarHBondContact O-N 3.01Å | ||
| 142 | T | 41.1 | Very low | 52.3 | Low | 112 Ų | 112 | 113.7 Ų | 113.7 | 69% | 0.687 | 67% | 0.668 | S | S | * | * | trans | -69.7 | 93.3 | 173.5 | 53.3 | 0 | 0 | 0 | 0 | 109.3 | I140 T144 | I140-T142 VanDerWaalsContact C-N 3.26Å; I140-T142 HydrophobicContact CG2-CG2 3.94Å; I140-T142 PolarHBondContact O-N 2.83Å; T142-T144 PolarHBondContact O-N 2.83Å | ||
| 143 | V | 40.6 | Very low | 53.3 | Low | 102 Ų | 102 | 114.9 Ų | 114.9 | 62% | 0.618 | 68% | 0.676 | S | S | * | * | trans | -68.5 | 100.6 | 169.9 | -177.3 | 0 | 0 | 0 | 0 | 108 | T141 M145 | T141-V143 HydrophobicContact CG2-CG2 4.31Å; T141-V143 PolarHBondContact O-N 3.01Å; V143-M145 HydrophobicContact CB-CE 4.28Å; V143-M145 HydrophobicContact CG1-CE 3.77Å; V143-M145 HydrophobicContact CG1-SD 4.39Å; V143-M145 PolarHBondContact O-N 2.98Å | ||
| 144 | T | 47.1 | Very low | 54.5 | Low | 128 Ų | 128 | 111 Ų | 111 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | -65.3 | 97.8 | 175.3 | -53.1 | 0 | 0 | 0 | 0 | 109.5 | T142 | T142-T144 PolarHBondContact O-N 2.83Š| ||
| 145 | M | 50.4 | Low | 55.9 | Low | 140 Ų | 140 | 104 Ų | 104 | 69% | 0.69 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 134.1 | 175.5 | -67.6 | -66 | 168.5 | 0 | 0 | 109.9 | V143 T147 | V143-M145 HydrophobicContact CB-CE 4.28Å; V143-M145 HydrophobicContact CG1-CE 3.77Å; V143-M145 HydrophobicContact CG1-SD 4.39Å; V143-M145 PolarHBondContact O-N 2.98Å; M145-T147 PolarHBondContact O-N 3.31Å |
| 146 | P | 57.3 | Low | 57.2 | Low | 118 Ų | 118 | 101 Ų | 101 | 77% | 0.766 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 127.4 | 176.4 | -23.3 | 33.5 | 0 | 0 | 0 | 111.5 | ||
| 147 | T | 66.9 | Low | 58.6 | Low | 73 Ų | 73 | 100.4 Ų | 100.4 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 121.9 | 175.3 | -37.8 | 0 | 0 | 0 | 0 | 109.6 | M145 I149 A159 I160 | M145-T147 PolarHBondContact O-N 3.31Å; T147-I149 PolarHBondContact O-N 3.31Å; T147-A159 HydrophobicContact CG2-CB 4.43Å; T147-I160 WeakPolarHBondContact CG2-O 3.37Å |
| 148 | P | 68 | Low | 60.2 | Low | 64 Ų | 64 | 99.6 Ų | 99.6 | 42% | 0.416 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -68.7 | 127.5 | -179.1 | 27.4 | -33.7 | 0 | 0 | 0 | 110.4 | Y150 | P148-Y150 HydrophobicContact CB-CE2 3.83Å; P148-Y150 HydrophobicContact CG-CE2 4Å |
| 149 | I | 75.5 | Confident | 61.8 | Low | 117 Ų | 117 | 94.7 Ų | 94.7 | 60% | 0.6 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.5 | 176.9 | -54.5 | 178.2 | 0 | 0 | 0 | 108.1 | T147 Y157 I158 A159 | T147-I149 PolarHBondContact O-N 3.31Å; I149-Y157 HydrophobicContact CG2-CD1 4.02Å; I149-Y157 HydrophobicContact CG2-CG 4.47Å; I149-I158 WeakPolarHBondContact CA-O 3.35Å; I149-A159 HydrophobicContact CG1-CB 4.32Å |
| 150 | Y | 76.3 | Confident | 63.5 | Low | 132 Ų | 132 | 93.9 Ų | 93.9 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.4 | 178.4 | -57.8 | -83.6 | 0 | 0 | 0 | 109.6 | P148 I158 I160 | P148-Y150 HydrophobicContact CB-CE2 3.83Å; P148-Y150 HydrophobicContact CG-CE2 4Å; Y150-I158 PolarHBondContact N-O 3.09Å; Y150-I158 PolarHBondContact O-N 3.39Å; Y150-I160 HydrophobicContact CE2-CD1 4.49Å |
| 151 | Q | 76.6 | Confident | 64.7 | Low | 115 Ų | 115 | 88.8 Ų | 88.8 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 132.4 | 174.5 | -163.8 | 175.8 | 25.4 | 0 | 0 | 110.4 | G155 Q156 Y157 | Q151-G155 PolarHBondContact NE2-O 3.13Å; Q151-Q156 WeakPolarHBondContact CA-O 3.38Å; Q151-Y157 HydrophobicContact CB-CD1 4.04Å; Q151-Y157 HydrophobicContact CB-CE1 4.05Å; Q151-Y157 VanDerWaalsContact CD-CE1 3.48Å; Q151-Y157 HydrophobicContact CG-CD1 3.94Å; Q151-Y157 HydrophobicContact CG-CE1 3.75Å; Q151-Y157 PolarHBondContact NE2-OH 3.09Å; Q151-Y157 VanDerWaalsContact NE2-OH 3.13Å |
| 152 | T | 72.6 | Confident | 65.7 | Low | 42 Ų | 42 | 93 Ų | 93 | 26% | 0.258 | 52% | 0.516 | S | S | . | . | trans | -78.4 | 162.9 | 172.8 | 67.6 | 0 | 0 | 0 | 0 | 111.1 | S154 G155 Q156 I158 | T152-S154 PolarHBondContact O-N 3.12Å; T152-S154 VanDerWaalsContact O-N 3.13Å; T152-S154 PolarHBondContact OG1-N 3.14Å; T152-S154 PolarHBondContact OG1-OG 2.92Å; T152-G155 PolarHBondContact O-N 3.44Å; T152-G155 PolarHBondContact OG1-N 3.37Å; T152-Q156 HydrophobicContact CG2-CB 4.32Å; T152-Q156 PolarHBondContact N-O 3.42Å; T152-Q156 WeakPolarHBondContact OG1-CB 3.4Å; T152-Q156 PolarHBondContact OG1-N 3Å; T152-Q156 VanDerWaalsContact OG1-N 3.12Å; T152-I158 HydrophobicContact CG2-CD1 3.66Å; T152-I158 HydrophobicContact CG2-CG1 4.3Å | ||
| 153 | S | 61.4 | Low | 66.8 | Low | 142 Ų | 142 | 91 Ų | 91 | 99% | 0.993 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -13.7 | 170.5 | 52.9 | 0 | 0 | 0 | 0 | 114 | ||
| 154 | S | 71.3 | Confident | 68.1 | Low | 80 Ų | 80 | 87.9 Ų | 87.9 | 56% | 0.559 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.6 | 170.6 | 56.1 | 0 | 0 | 0 | 0 | 113.7 | T152 Q156 | T152-S154 PolarHBondContact O-N 3.12Å; T152-S154 VanDerWaalsContact O-N 3.13Å; T152-S154 PolarHBondContact OG1-N 3.14Å; T152-S154 PolarHBondContact OG1-OG 2.92Å; S154-Q156 VanDerWaalsContact C-N 3.31Å; S154-Q156 PolarHBondContact O-N 3.24Å |
| 155 | G | 68.5 | Low | 68.8 | Low | 18 Ų | 18 | 82.4 Ų | 82.4 | 19% | 0.186 | 47% | 0.473 | C | S | . | . | S | Bend | trans | 80.5 | 1.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q151 T152 N171 | Q151-G155 PolarHBondContact NE2-O 3.13Å; T152-G155 PolarHBondContact O-N 3.44Å; T152-G155 PolarHBondContact OG1-N 3.37Å; G155-N171 PolarHBondContact O-ND2 2.76Å |
| 156 | Q | 74.5 | Confident | 69.8 | Low | 84 Ų | 84 | 78.2 Ų | 78.2 | 39% | 0.393 | 45% | 0.453 | S | S | . | . | trans | -74.8 | 142.3 | 178.3 | -60.7 | 172.4 | -5.4 | 0 | 0 | 110.4 | Q151 T152 S154 | Q151-Q156 WeakPolarHBondContact CA-O 3.38Å; T152-Q156 HydrophobicContact CG2-CB 4.32Å; T152-Q156 PolarHBondContact N-O 3.42Å; T152-Q156 WeakPolarHBondContact OG1-CB 3.4Å; T152-Q156 PolarHBondContact OG1-N 3Å; T152-Q156 VanDerWaalsContact OG1-N 3.12Å; S154-Q156 VanDerWaalsContact C-N 3.31Å; S154-Q156 PolarHBondContact O-N 3.24Å | ||
| 157 | Y | 72.6 | Confident | 70.3 | Confident | 100 Ų | 100 | 75.5 Ų | 75.5 | 39% | 0.392 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 131.8 | 177.3 | -61.8 | -79.8 | 0 | 0 | 0 | 110.8 | I149 Q151 A169 | I149-Y157 HydrophobicContact CG2-CD1 4.02Å; I149-Y157 HydrophobicContact CG2-CG 4.47Å; Q151-Y157 HydrophobicContact CB-CD1 4.04Å; Q151-Y157 HydrophobicContact CB-CE1 4.05Å; Q151-Y157 VanDerWaalsContact CD-CE1 3.48Å; Q151-Y157 HydrophobicContact CG-CD1 3.94Å; Q151-Y157 HydrophobicContact CG-CE1 3.75Å; Q151-Y157 PolarHBondContact NE2-OH 3.09Å; Q151-Y157 VanDerWaalsContact NE2-OH 3.13Å; Y157-A169 PolarHBondContact N-O 3.43Å; Y157-A169 PolarHBondContact O-N 3Å |
| 158 | I | 77.6 | Confident | 70.4 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 22% | 0.221 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.3 | -178.8 | -55.7 | 175.9 | 0 | 0 | 0 | 108.4 | I149 Y150 T152 I166 Q167 L168 | I149-I158 WeakPolarHBondContact CA-O 3.35Å; Y150-I158 PolarHBondContact N-O 3.09Å; Y150-I158 PolarHBondContact O-N 3.39Å; T152-I158 HydrophobicContact CG2-CD1 3.66Å; T152-I158 HydrophobicContact CG2-CG1 4.3Å; I158-I166 HydrophobicContact CG2-CG2 3.73Å; I158-Q167 WeakPolarHBondContact CA-O 3.46Å; I158-L168 HydrophobicContact CD1-CD2 4.49Å; I158-L168 HydrophobicContact CG1-CD2 4.22Å |
| 159 | A | 74.4 | Confident | 70 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 14% | 0.14 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | T147 I149 Q167 | T147-A159 HydrophobicContact CG2-CB 4.43Å; I149-A159 HydrophobicContact CG1-CB 4.32Å; A159-Q167 HydrophobicContact CB-CB 4.49Å; A159-Q167 PolarHBondContact N-O 3.16Å; A159-Q167 PolarHBondContact O-N 2.86Å |
| 160 | I | 75.8 | Confident | 69 | Low | 76 Ų | 76 | 71.2 Ų | 71.2 | 39% | 0.39 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 110.4 | 177.3 | -54.1 | 177.2 | 0 | 0 | 0 | 108.2 | T147 Y150 | T147-I160 WeakPolarHBondContact CG2-O 3.37Å; Y150-I160 HydrophobicContact CE2-CD1 4.49Å |
| 161 | T | 70.4 | Confident | 67.7 | Low | 40 Ų | 40 | 70 Ų | 70 | 25% | 0.245 | 42% | 0.415 | C | S | . | . | trans | -70.3 | 159.4 | 178.7 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | G163 G164 A165 | T161-G163 PolarHBondContact O-N 3.48Å; T161-G163 VanDerWaalsContact O-N 3.11Å; T161-G164 PolarHBondContact O-N 3.28Å; T161-A165 PolarHBondContact N-O 3.09Å; T161-A165 WeakPolarHBondContact OG1-CB 3.36Å; T161-A165 PolarHBondContact OG1-N 2.89Å; T161-A165 VanDerWaalsContact OG1-N 3.11Å; T161-A165 PolarHBondContact OG1-O 3.44Å | ||
| 162 | Q | 60.5 | Low | 66.4 | Low | 211 Ų | 211 | 67.3 Ų | 67.3 | 99% | 0.986 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.9 | 176.6 | -163.4 | 174.2 | 29.7 | 0 | 0 | 113.2 | G164 | Q162-G164 VanDerWaalsContact C-N 3.33Š|
| 163 | G | 64.8 | Low | 65.1 | Low | 69 Ų | 69 | 71.9 Ų | 71.9 | 71% | 0.711 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 8.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T161 A165 | T161-G163 PolarHBondContact O-N 3.48Å; T161-G163 VanDerWaalsContact O-N 3.11Å; G163-A165 VanDerWaalsContact C-N 3.26Å; G163-A165 PolarHBondContact O-N 3.04Å |
| 164 | G | 66.8 | Low | 64.2 | Low | 36 Ų | 36 | 72.5 Ų | 72.5 | 37% | 0.371 | 44% | 0.438 | S | S | . | . | S | Bend | trans | 76 | 3.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | T161 Q162 | T161-G164 PolarHBondContact O-N 3.28Å; Q162-G164 VanDerWaalsContact C-N 3.33Å |
| 165 | A | 63.3 | Low | 63.1 | Low | 13 Ų | 13 | 72 Ų | 72 | 11% | 0.107 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 133.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T161 G163 T181 L182 T183 | T161-A165 PolarHBondContact N-O 3.09Å; T161-A165 WeakPolarHBondContact OG1-CB 3.36Å; T161-A165 PolarHBondContact OG1-N 2.89Å; T161-A165 VanDerWaalsContact OG1-N 3.11Å; T161-A165 PolarHBondContact OG1-O 3.44Å; G163-A165 VanDerWaalsContact C-N 3.26Å; G163-A165 PolarHBondContact O-N 3.04Å; A165-T181 HydrophobicContact CB-CG2 4.13Å; A165-L182 WeakPolarHBondContact CA-O 3.36Å; A165-T183 HydrophobicContact CB-CG2 4.48Å |
| 166 | I | 70.7 | Confident | 62.1 | Low | 52 Ų | 52 | 77.2 Ų | 77.2 | 27% | 0.267 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.3 | -179.2 | -56.4 | 175.5 | 0 | 0 | 0 | 107.9 | I158 L168 L182 | I158-I166 HydrophobicContact CG2-CG2 3.73Å; I166-L168 HydrophobicContact CG2-CD1 4.13Å; I166-L168 HydrophobicContact CG2-CG 4.49Å; I166-L182 PolarHBondContact N-O 3.38Å; I166-L182 PolarHBondContact O-N 3.46Å |
| 167 | Q | 68.2 | Low | 60.5 | Low | 62 Ų | 62 | 81.5 Ų | 81.5 | 29% | 0.29 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125 | 173.6 | -66.4 | 176.6 | 82.7 | 0 | 0 | 109 | I158 A159 T181 | I158-Q167 WeakPolarHBondContact CA-O 3.46Å; A159-Q167 HydrophobicContact CB-CB 4.49Å; A159-Q167 PolarHBondContact N-O 3.16Å; A159-Q167 PolarHBondContact O-N 2.86Å; Q167-T181 HydrophobicContact CG-CG2 4.43Å |
| 168 | L | 68.5 | Low | 59.5 | Low | 50 Ų | 50 | 78.6 Ų | 78.6 | 26% | 0.262 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125.3 | 170.6 | -64.3 | 107.9 | 0 | 0 | 0 | 110.3 | I158 I166 Q180 L182 | I158-L168 HydrophobicContact CD1-CD2 4.49Å; I158-L168 HydrophobicContact CG1-CD2 4.22Å; I166-L168 HydrophobicContact CG2-CD1 4.13Å; I166-L168 HydrophobicContact CG2-CG 4.49Å; L168-Q180 PolarHBondContact N-O 2.9Å; L168-Q180 PolarHBondContact O-N 3.29Å; L168-L182 HydrophobicContact CD1-CD1 3.65Å |
| 169 | A | 60.7 | Low | 58.3 | Low | 36 Ų | 36 | 81.3 Ų | 81.3 | 30% | 0.298 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y157 L179 | Y157-A169 PolarHBondContact N-O 3.43Å; Y157-A169 PolarHBondContact O-N 3Å; A169-L179 HydrophobicContact CB-CD1 4.49Å |
| 170 | S | 53.9 | Low | 57.6 | Low | 77 Ų | 77 | 84.4 Ų | 84.4 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | trans | -87.7 | 130.6 | 171.1 | 53.8 | 0 | 0 | 0 | 0 | 110.5 | G172 | S170-G172 VanDerWaalsContact C-N 3.28Å; S170-G172 PolarHBondContact O-N 3.02Å | ||
| 171 | N | 49.6 | Very low | 56.6 | Low | 108 Ų | 108 | 82.5 Ų | 82.5 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | trans | -75.3 | 80.1 | 174.6 | -61.6 | -5.8 | 0 | 0 | 0 | 110.3 | G155 | G155-N171 PolarHBondContact O-ND2 2.76Š| ||
| 172 | G | 49.4 | Very low | 56.3 | Low | 58 Ų | 58 | 82.3 Ų | 82.3 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | trans | -93.7 | 120.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | S170 | S170-G172 VanDerWaalsContact C-N 3.28Å; S170-G172 PolarHBondContact O-N 3.02Å | ||
| 173 | T | 44.4 | Very low | 56.3 | Low | 137 Ų | 137 | 74.2 Ų | 74.2 | 84% | 0.84 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -72.5 | 145 | 162.4 | 47.7 | 0 | 0 | 0 | 0 | 109.4 | ||
| 174 | D | 42.9 | Very low | 55.6 | Low | 155 Ų | 155 | 75.7 Ų | 75.7 | 83% | 0.829 | 46% | 0.464 | S | S | * | . | S | Bend | trans | 71.4 | 137.1 | -171.9 | -59.7 | -35 | 0 | 0 | 0 | 116.1 | ||
| 175 | G | 47.1 | Very low | 54.8 | Low | 70 Ų | 70 | 76.6 Ų | 76.6 | 72% | 0.722 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -64.7 | 157.2 | -155.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 176 | V | 47.2 | Very low | 53.8 | Low | 127 Ų | 127 | 83.4 Ų | 83.4 | 77% | 0.77 | 50% | 0.503 | S | S | * | . | trans | 73.5 | 70.9 | 170.3 | -161.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 177 | Q | 41.4 | Very low | 52.4 | Low | 175 Ų | 175 | 83.8 Ų | 83.8 | 82% | 0.818 | 51% | 0.514 | S | S | * | . | trans | -136.5 | 142.7 | 154.3 | -71.3 | -59.1 | -17.3 | 0 | 0 | 111.3 | ||||
| 178 | G | 51.3 | Low | 51 | Low | 39 Ų | 39 | 86.2 Ų | 86.2 | 40% | 0.402 | 54% | 0.544 | S | S | . | . | trans | -79.9 | 149.4 | -155.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q180 | G178-Q180 PolarHBondContact O-N 3.46Š| ||
| 179 | L | 53.1 | Low | 49.6 | Very low | 99 Ų | 99 | 87.1 Ų | 87.1 | 52% | 0.518 | 56% | 0.559 | S | S | . | * | trans | -72.4 | 101.5 | 171.4 | -148.6 | 80.8 | 0 | 0 | 0 | 109.4 | A169 T181 | A169-L179 HydrophobicContact CB-CD1 4.49Å; L179-T181 PolarHBondContact O-N 2.97Å; L179-T181 VanDerWaalsContact O-N 3.14Å | ||
| 180 | Q | 60.1 | Low | 48.7 | Very low | 82 Ų | 82 | 91 Ų | 91 | 38% | 0.383 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.7 | 104.1 | -174.9 | -160.8 | 174.6 | 94.7 | 0 | 0 | 110.5 | L168 G178 L182 Q198 | L168-Q180 PolarHBondContact N-O 2.9Å; L168-Q180 PolarHBondContact O-N 3.29Å; G178-Q180 PolarHBondContact O-N 3.46Å; Q180-L182 HydrophobicContact CG-CD1 3.89Å; Q180-Q198 VanDerWaalsContact CD-NE2 3.29Å; Q180-Q198 HydrophobicContact CG-CG 4.39Å |
| 181 | T | 54.9 | Low | 47.9 | Very low | 36 Ų | 36 | 94.6 Ų | 94.6 | 22% | 0.221 | 59% | 0.592 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 117.6 | 175.8 | -59.3 | 0 | 0 | 0 | 0 | 109.7 | A165 Q167 L179 | A165-T181 HydrophobicContact CB-CG2 4.13Å; Q167-T181 HydrophobicContact CG-CG2 4.43Å; L179-T181 PolarHBondContact O-N 2.97Å; L179-T181 VanDerWaalsContact O-N 3.14Å |
| 182 | L | 64 | Low | 47.5 | Very low | 36 Ų | 36 | 95.8 Ų | 95.8 | 19% | 0.188 | 61% | 0.606 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 112 | 169.7 | -76.4 | 76.6 | 0 | 0 | 0 | 108.2 | A165 I166 L168 Q180 I196 | A165-L182 WeakPolarHBondContact CA-O 3.36Å; I166-L182 PolarHBondContact N-O 3.38Å; I166-L182 PolarHBondContact O-N 3.46Å; L168-L182 HydrophobicContact CD1-CD1 3.65Å; Q180-L182 HydrophobicContact CG-CD1 3.89Å; L182-I196 HydrophobicContact CB-CG2 4.5Å; L182-I196 HydrophobicContact CD2-CG2 3.96Å; L182-I196 HydrophobicContact CG-CG2 4.3Å |
| 183 | T | 59.1 | Low | 47.4 | Very low | 41 Ų | 41 | 95.5 Ų | 95.5 | 25% | 0.252 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.4 | 175 | -58.7 | 0 | 0 | 0 | 0 | 109.3 | A165 A185 L197 | A165-T183 HydrophobicContact CB-CG2 4.48Å; T183-A185 PolarHBondContact O-N 3.28Å; T183-L197 PolarHBondContact N-O 3.42Å; T183-L197 PolarHBondContact O-N 3.34Å |
| 184 | M | 50.3 | Low | 47.5 | Very low | 100 Ų | 100 | 94.7 Ų | 94.7 | 49% | 0.493 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 101.2 | 170.4 | -63.1 | -160 | 75.4 | 0 | 0 | 109.3 | N186 | M184-N186 PolarHBondContact O-N 2.86Å; M184-N186 VanDerWaalsContact O-N 3.09Å |
| 185 | A | 50.4 | Low | 47.9 | Very low | 55 Ų | 55 | 91 Ų | 91 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | trans | -73.5 | 100.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | T183 A187 | T183-A185 PolarHBondContact O-N 3.28Å; A185-A187 PolarHBondContact O-N 2.89Å | ||
| 186 | N | 43.5 | Very low | 48.2 | Very low | 157 Ų | 157 | 91 Ų | 91 | 84% | 0.84 | 56% | 0.564 | S | S | * | * | trans | -80.1 | 110.5 | 173.6 | -168.1 | 27.8 | 0 | 0 | 0 | 110 | M184 A188 | M184-N186 PolarHBondContact O-N 2.86Å; M184-N186 VanDerWaalsContact O-N 3.09Å; N186-A188 PolarHBondContact O-N 3.06Å; N186-A188 VanDerWaalsContact O-N 3.09Å | ||
| 187 | A | 39.6 | Very low | 48.6 | Very low | 60 Ų | 60 | 86.9 Ų | 86.9 | 50% | 0.496 | 54% | 0.537 | S | S | . | . | trans | -72.9 | 101.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | A185 A189 | A185-A187 PolarHBondContact O-N 2.89Å; A187-A189 PolarHBondContact O-N 2.97Å | ||
| 188 | A | 40 | Very low | 49.4 | Very low | 113 Ų | 113 | 81.6 Ų | 81.6 | 93% | 0.934 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -68.5 | 8.9 | 172 | 0 | 0 | 0 | 0 | 0 | 114 | N186 | N186-A188 PolarHBondContact O-N 3.06Å; N186-A188 VanDerWaalsContact O-N 3.09Å |
| 189 | A | 39.7 | Very low | 49.6 | Very low | 69 Ų | 69 | 83.3 Ų | 83.3 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -136.3 | 136.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | A187 Q191 | A187-A189 PolarHBondContact O-N 2.97Å; A189-Q191 PolarHBondContact O-N 2.92Å |
| 190 | S | 40.6 | Very low | 49.6 | Very low | 118 Ų | 118 | 80.8 Ų | 80.8 | 83% | 0.825 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -43.5 | 88.3 | -175.5 | 54.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 191 | Q | 37.2 | Very low | 48.9 | Very low | 152 Ų | 152 | 82.3 Ų | 82.3 | 71% | 0.71 | 51% | 0.508 | S | S | * | . | trans | -138.3 | 132.2 | 169.2 | -72.8 | -62.3 | -18.9 | 0 | 0 | 110.9 | A189 G193 | A189-Q191 PolarHBondContact O-N 2.92Å; Q191-G193 PolarHBondContact O-N 2.98Å | ||
| 192 | P | 40.6 | Very low | 48.7 | Very low | 132 Ų | 132 | 82.5 Ų | 82.5 | 86% | 0.857 | 51% | 0.509 | S | S | * | . | trans | -87.9 | 92 | -174.2 | 34 | -33 | 0 | 0 | 0 | 111.8 | ||||
| 193 | G | 48.5 | Very low | 48 | Very low | 52 Ų | 52 | 86.2 Ų | 86.2 | 54% | 0.536 | 54% | 0.538 | S | S | . | . | trans | 169.9 | 120.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q191 T195 | Q191-G193 PolarHBondContact O-N 2.98Å; G193-T195 PolarHBondContact O-N 3.18Å; G193-T195 VanDerWaalsContact O-N 3.16Å | ||
| 194 | T | 46.8 | Very low | 47.8 | Very low | 120 Ų | 120 | 89.8 Ų | 89.8 | 74% | 0.736 | 56% | 0.556 | S | S | * | * | trans | -79.7 | 90.9 | 169.7 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | I196 | T194-I196 PolarHBondContact O-N 3.39Š| ||
| 195 | T | 49.9 | Very low | 48 | Very low | 78 Ų | 78 | 87.3 Ų | 87.3 | 48% | 0.479 | 56% | 0.556 | S | S | . | * | trans | -77.3 | 115.4 | 172.7 | -57 | 0 | 0 | 0 | 0 | 109.7 | G193 L197 | G193-T195 PolarHBondContact O-N 3.18Å; G193-T195 VanDerWaalsContact O-N 3.16Å; T195-L197 HydrophobicContact CG2-CD2 3.75Å; T195-L197 HydrophobicContact CG2-CG 4.35Å | ||
| 196 | I | 54 | Low | 47.9 | Very low | 69 Ų | 69 | 91.1 Ų | 91.1 | 35% | 0.354 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.9 | 129.8 | 164.2 | -61.8 | 174.8 | 0 | 0 | 0 | 106.9 | L182 T194 S212 | L182-I196 HydrophobicContact CB-CG2 4.5Å; L182-I196 HydrophobicContact CD2-CG2 3.96Å; L182-I196 HydrophobicContact CG-CG2 4.3Å; T194-I196 PolarHBondContact O-N 3.39Å; I196-S212 VanDerWaalsContact O-CB 3.28Å; I196-S212 WeakPolarHBondContact O-CB 3.45Å; I196-S212 PolarHBondContact O-OG 3.29Å |
| 197 | L | 55.9 | Low | 48 | Very low | 41 Ų | 41 | 90 Ų | 90 | 22% | 0.215 | 55% | 0.554 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -106 | 117 | 170.8 | -62.6 | 178.3 | 0 | 0 | 0 | 108.1 | T183 T195 Y199 L209 | T183-L197 PolarHBondContact N-O 3.42Å; T183-L197 PolarHBondContact O-N 3.34Å; T195-L197 HydrophobicContact CG2-CD2 3.75Å; T195-L197 HydrophobicContact CG2-CG 4.35Å; L197-Y199 HydrophobicContact CB-CE2 4.26Å; L197-L209 HydrophobicContact CB-CD1 4.09Å; L197-L209 HydrophobicContact CD1-CD1 4.42Å; L197-L209 HydrophobicContact CD2-CD1 4.14Å; L197-L209 HydrophobicContact CG-CD1 4.44Å |
| 198 | Q | 57.2 | Low | 48.6 | Very low | 65 Ų | 65 | 91.4 Ų | 91.4 | 30% | 0.304 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.3 | 178.3 | -167 | 170.1 | 32.4 | 0 | 0 | 108.9 | Q180 V210 S212 | Q180-Q198 VanDerWaalsContact CD-NE2 3.29Å; Q180-Q198 HydrophobicContact CG-CG 4.39Å; Q198-V210 PolarHBondContact O-N 2.99Å; Q198-S212 WeakPolarHBondContact CB-OG 3.45Å |
| 199 | Y | 55.9 | Low | 49.2 | Very low | 75 Ų | 75 | 90.5 Ų | 90.5 | 29% | 0.294 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 117.2 | 174.5 | -64.2 | -91.6 | 0 | 0 | 0 | 108.5 | L197 L209 | L197-Y199 HydrophobicContact CB-CE2 4.26Å; Y199-L209 HydrophobicContact CD1-CD1 4.28Å; Y199-L209 HydrophobicContact CE1-CD1 3.79Å |
| 200 | A | 52.7 | Low | 50 | Low | 46 Ų | 46 | 90 Ų | 90 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116 | 170 | 0 | 0 | 0 | 0 | 0 | 108.2 | I208 V210 | A200-I208 PolarHBondContact N-O 3.12Å; A200-I208 PolarHBondContact O-N 2.61Å; A200-V210 HydrophobicContact CB-CG2 4.33Å |
| 201 | Q | 45.3 | Very low | 50.6 | Low | 114 Ų | 114 | 87.9 Ų | 87.9 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.6 | 176.2 | -176.5 | 173.1 | -11.1 | 0 | 0 | 109 | ||
| 202 | T | 51.3 | Low | 51.5 | Low | 40 Ų | 40 | 82.1 Ų | 82.1 | 25% | 0.245 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 164.7 | 174.4 | 68.1 | 0 | 0 | 0 | 0 | 110.9 | D204 G205 Q206 I208 | T202-D204 VanDerWaalsContact CB-OD2 3.27Å; T202-D204 WeakPolarHBondContact CB-OD2 3.32Å; T202-D204 PolarHBondContact O-N 2.89Å; T202-D204 PolarHBondContact OG1-OD2 3.44Å; T202-G205 PolarHBondContact O-N 2.91Å; T202-G205 VanDerWaalsContact O-N 3.12Å; T202-Q206 PolarHBondContact N-O 3.32Å; T202-Q206 PolarHBondContact OG1-O 3.13Å; T202-I208 HydrophobicContact CG2-CD1 3.64Å; T202-I208 HydrophobicContact CG2-CG1 4.09Å |
| 203 | S | 48.8 | Very low | 52.3 | Low | 113 Ų | 113 | 79.4 Ų | 79.4 | 79% | 0.79 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -20.5 | 173.1 | 35.6 | 0 | 0 | 0 | 0 | 114.4 | ||
| 204 | D | 55.9 | Low | 52.3 | Low | 117 Ų | 117 | 82.1 Ų | 82.1 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 7.7 | -170.1 | 1.4 | -65.4 | 0 | 0 | 0 | 111.3 | T202 Q206 | T202-D204 VanDerWaalsContact CB-OD2 3.27Å; T202-D204 WeakPolarHBondContact CB-OD2 3.32Å; T202-D204 PolarHBondContact O-N 2.89Å; T202-D204 PolarHBondContact OG1-OD2 3.44Å; D204-Q206 PolarHBondContact O-N 2.78Å |
| 205 | G | 54.4 | Low | 52.6 | Low | 48 Ų | 48 | 79.7 Ų | 79.7 | 50% | 0.495 | 44% | 0.443 | S | S | . | . | S | Bend | trans | 79.7 | -3.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T202 | T202-G205 PolarHBondContact O-N 2.91Å; T202-G205 VanDerWaalsContact O-N 3.12Å |
| 206 | Q | 49 | Very low | 52.7 | Low | 135 Ų | 135 | 80 Ų | 80 | 63% | 0.631 | 44% | 0.444 | S | S | * | . | trans | -74.7 | 132.9 | 175.5 | -67.7 | -74.7 | 6.6 | 0 | 0 | 110.3 | T202 D204 | T202-Q206 PolarHBondContact N-O 3.32Å; T202-Q206 PolarHBondContact OG1-O 3.13Å; D204-Q206 PolarHBondContact O-N 2.78Å | ||
| 207 | Q | 45.5 | Very low | 52.5 | Low | 132 Ų | 132 | 80.4 Ų | 80.4 | 62% | 0.617 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 110 | 174.9 | -63.8 | -176.2 | 11.9 | 0 | 0 | 109.4 | ||
| 208 | I | 51.8 | Low | 51.8 | Low | 90 Ų | 90 | 84.5 Ų | 84.5 | 46% | 0.462 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 122.3 | 174 | -67 | -178.9 | 0 | 0 | 0 | 109.1 | A200 T202 V210 | A200-I208 PolarHBondContact N-O 3.12Å; A200-I208 PolarHBondContact O-N 2.61Å; T202-I208 HydrophobicContact CG2-CD1 3.64Å; T202-I208 HydrophobicContact CG2-CG1 4.09Å; I208-V210 HydrophobicContact CG2-CG2 3.97Å; I208-V210 PolarHBondContact O-N 2.88Å |
| 209 | L | 52.6 | Low | 51.1 | Low | 94 Ų | 94 | 83.9 Ų | 83.9 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 105.1 | 172.6 | -179.1 | 63.1 | 0 | 0 | 0 | 109.4 | L197 Y199 | L197-L209 HydrophobicContact CB-CD1 4.09Å; L197-L209 HydrophobicContact CD1-CD1 4.42Å; L197-L209 HydrophobicContact CD2-CD1 4.14Å; L197-L209 HydrophobicContact CG-CD1 4.44Å; Y199-L209 HydrophobicContact CD1-CD1 4.28Å; Y199-L209 HydrophobicContact CE1-CD1 3.79Å |
| 210 | V | 55.8 | Low | 50.4 | Low | 58 Ų | 58 | 86 Ų | 86 | 35% | 0.352 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119 | 176.3 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | Q198 A200 I208 S212 | Q198-V210 PolarHBondContact O-N 2.99Å; A200-V210 HydrophobicContact CB-CG2 4.33Å; I208-V210 HydrophobicContact CG2-CG2 3.97Å; I208-V210 PolarHBondContact O-N 2.88Å; V210-S212 PolarHBondContact O-N 2.96Å; V210-S212 VanDerWaalsContact O-N 3.15Å |
| 211 | P | 53.4 | Low | 50.1 | Low | 74 Ų | 74 | 88.3 Ų | 88.3 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 111.7 | 172.2 | -18.6 | 32.3 | 0 | 0 | 0 | 110.1 | N213 | P211-N213 PolarHBondContact O-N 3.3Å; P211-N213 PolarHBondContact O-OD1 2.86Å |
| 212 | S | 55.6 | Low | 50.2 | Low | 31 Ų | 31 | 84.9 Ų | 84.9 | 22% | 0.217 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 31.1 | -174.3 | -52.2 | 0 | 0 | 0 | 0 | 114.9 | I196 Q198 V210 | I196-S212 VanDerWaalsContact O-CB 3.28Å; I196-S212 WeakPolarHBondContact O-CB 3.45Å; I196-S212 PolarHBondContact O-OG 3.29Å; Q198-S212 WeakPolarHBondContact CB-OG 3.45Å; V210-S212 PolarHBondContact O-N 2.96Å; V210-S212 VanDerWaalsContact O-N 3.15Å |
| 213 | N | 58.3 | Low | 49.7 | Very low | 76 Ų | 76 | 88.3 Ų | 88.3 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -2.2 | 170.4 | 60.8 | 14.2 | 0 | 0 | 0 | 113.1 | P211 Q228 I229 | P211-N213 PolarHBondContact O-N 3.3Å; P211-N213 PolarHBondContact O-OD1 2.86Å; N213-Q228 CarbonylContact O-C 3.59Å; N213-Q228 WeakPolarHBondContact O-CA 3.41Å; N213-Q228 WeakPolarHBondContact O-CG 3.36Å; N213-I229 PolarHBondContact O-N 3.09Å |
| 214 | Q | 48.4 | Very low | 49.5 | Very low | 108 Ų | 108 | 86.9 Ų | 86.9 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.6 | 171.1 | -58.6 | -176.7 | 32.2 | 0 | 0 | 110.1 | ||
| 215 | V | 52.5 | Low | 49 | Very low | 69 Ų | 69 | 86.5 Ų | 86.5 | 42% | 0.418 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 116.1 | 171.2 | 179 | 0 | 0 | 0 | 0 | 107.7 | V217 Y227 I229 | V215-V217 HydrophobicContact CG1-CG2 3.97Å; V215-Y227 PolarHBondContact N-O 3.12Å; V215-Y227 PolarHBondContact O-N 3.23Å; V215-I229 HydrophobicContact CG2-CD1 3.74Å; V215-I229 HydrophobicContact CG2-CG1 3.98Å |
| 216 | V | 52.3 | Low | 48.6 | Very low | 85 Ų | 85 | 87.1 Ų | 87.1 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 116.9 | 174.4 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | V224 A226 | V216-V224 HydrophobicContact CG1-CG1 3.3Å; V216-A226 HydrophobicContact CG2-CB 4.36Å |
| 217 | V | 49.3 | Very low | 48.4 | Very low | 78 Ų | 78 | 87.2 Ų | 87.2 | 47% | 0.473 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 115.1 | 174.2 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | V215 Q225 Y227 | V215-V217 HydrophobicContact CG1-CG2 3.97Å; V217-Q225 PolarHBondContact N-O 3.25Å; V217-Q225 PolarHBondContact O-N 2.87Å; V217-Q225 VanDerWaalsContact O-N 3.11Å; V217-Y227 HydrophobicContact CB-CD2 4.49Å; V217-Y227 HydrophobicContact CB-CE2 4.42Å; V217-Y227 HydrophobicContact CG2-CD2 4.18Å; V217-Y227 HydrophobicContact CG2-CE2 4.48Å |
| 218 | Q | 41.2 | Very low | 48.5 | Very low | 127 Ų | 127 | 86.6 Ų | 86.6 | 59% | 0.593 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 121.1 | 174.5 | -167.9 | 152.6 | 18.5 | 0 | 0 | 109.8 | G222 V224 | Q218-G222 PolarHBondContact NE2-O 3.18Å; Q218-V224 HydrophobicContact CG-CG2 4.09Å; Q218-V224 VanDerWaalsContact NE2-CG2 3.34Å |
| 219 | A | 43.7 | Very low | 48.4 | Very low | 52 Ų | 52 | 86.7 Ų | 86.7 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | trans | -77 | 157.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S221 G222 D223 | A219-S221 PolarHBondContact O-N 3.4Å; A219-G222 PolarHBondContact O-N 3.33Å; A219-D223 PolarHBondContact N-O 2.87Å | ||
| 220 | A | 40.8 | Very low | 48.1 | Very low | 120 Ų | 120 | 92.9 Ų | 92.9 | 99% | 0.992 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -9.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G222 | A220-G222 VanDerWaalsContact C-N 3.35Š|
| 221 | S | 46 | Very low | 47.7 | Very low | 94 Ų | 94 | 95.8 Ų | 95.8 | 66% | 0.657 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.4 | 170.5 | 61.6 | 0 | 0 | 0 | 0 | 114.2 | A219 | A219-S221 PolarHBondContact O-N 3.4Š|
| 222 | G | 48.1 | Very low | 46.9 | Very low | 41 Ų | 41 | 96.5 Ų | 96.5 | 42% | 0.423 | 55% | 0.554 | S | S | . | * | S | Bend | trans | 92.4 | -14.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q218 A219 A220 V224 | Q218-G222 PolarHBondContact NE2-O 3.18Å; A219-G222 PolarHBondContact O-N 3.33Å; A220-G222 VanDerWaalsContact C-N 3.35Å; G222-V224 PolarHBondContact O-N 3.45Å |
| 223 | D | 40.4 | Very low | 46.3 | Very low | 112 Ų | 112 | 100.8 Ų | 100.8 | 60% | 0.599 | 58% | 0.58 | S | S | * | * | trans | -65 | 130.3 | 177.3 | -77.9 | -43.8 | 0 | 0 | 0 | 112.1 | A219 | A219-D223 PolarHBondContact N-O 2.87Š| ||
| 224 | V | 44.2 | Very low | 45.3 | Very low | 84 Ų | 84 | 103.2 Ų | 103.2 | 51% | 0.509 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.6 | 109.6 | -177.5 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | V216 Q218 G222 | V216-V224 HydrophobicContact CG1-CG1 3.3Å; Q218-V224 HydrophobicContact CG-CG2 4.09Å; Q218-V224 VanDerWaalsContact NE2-CG2 3.34Å; G222-V224 PolarHBondContact O-N 3.45Å |
| 225 | Q | 44.6 | Very low | 44.8 | Very low | 109 Ų | 109 | 103.5 Ų | 103.5 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 121 | 175.3 | -71.6 | -78.4 | -10 | 0 | 0 | 109.8 | V217 Y227 | V217-Q225 PolarHBondContact N-O 3.25Å; V217-Q225 PolarHBondContact O-N 2.87Å; V217-Q225 VanDerWaalsContact O-N 3.11Å; Q225-Y227 HydrophobicContact CB-CD2 4.34Å; Q225-Y227 HydrophobicContact CB-CE2 3.55Å |
| 226 | A | 47.8 | Very low | 44.1 | Very low | 61 Ų | 61 | 105.9 Ų | 105.9 | 50% | 0.504 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 112.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V216 | V216-A226 HydrophobicContact CG2-CB 4.36Å |
| 227 | Y | 44.1 | Very low | 43.6 | Very low | 137 Ų | 137 | 109.7 Ų | 109.7 | 54% | 0.537 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103 | 119.8 | 179.3 | -64.5 | -80.5 | 0 | 0 | 0 | 110.7 | V215 V217 Q225 | V215-Y227 PolarHBondContact N-O 3.12Å; V215-Y227 PolarHBondContact O-N 3.23Å; V217-Y227 HydrophobicContact CB-CD2 4.49Å; V217-Y227 HydrophobicContact CB-CE2 4.42Å; V217-Y227 HydrophobicContact CG2-CD2 4.18Å; V217-Y227 HydrophobicContact CG2-CE2 4.48Å; Q225-Y227 HydrophobicContact CB-CD2 4.34Å; Q225-Y227 HydrophobicContact CB-CE2 3.55Å |
| 228 | Q | 48.1 | Very low | 42.8 | Very low | 119 Ų | 119 | 111.4 Ų | 111.4 | 56% | 0.556 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.1 | 125.5 | 177 | -166.7 | 175.8 | 46.7 | 0 | 0 | 111 | N213 R230 | N213-Q228 CarbonylContact O-C 3.59Å; N213-Q228 WeakPolarHBondContact O-CA 3.41Å; N213-Q228 WeakPolarHBondContact O-CG 3.36Å; Q228-R230 PolarHBondContact O-N 3Å |
| 229 | I | 48.6 | Very low | 43 | Very low | 92 Ų | 92 | 112 Ų | 112 | 47% | 0.472 | 67% | 0.669 | S | S | . | * | trans | -73.4 | 98.1 | 175.9 | -55.4 | 179.5 | 0 | 0 | 0 | 108.7 | N213 V215 T231 | N213-I229 PolarHBondContact O-N 3.09Å; V215-I229 HydrophobicContact CG2-CD1 3.74Å; V215-I229 HydrophobicContact CG2-CG1 3.98Å; I229-T231 HydrophobicContact CG2-CG2 4.44Å; I229-T231 PolarHBondContact O-N 3.03Å; I229-T231 VanDerWaalsContact O-N 3.17Å | ||
| 230 | R | 47.6 | Very low | 42.7 | Very low | 224 Ų | 224 | 112.4 Ų | 112.4 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | trans | -76.7 | 96.2 | 169.2 | -75.1 | -174.4 | 176.2 | -116.1 | 0.1 | 110.5 | Q228 A232 | Q228-R230 PolarHBondContact O-N 3Å; R230-A232 PolarHBondContact O-N 3.31Å | ||
| 231 | T | 46.1 | Very low | 43 | Very low | 119 Ų | 119 | 113.5 Ų | 113.5 | 73% | 0.73 | 67% | 0.672 | S | S | * | * | trans | -70.5 | 107.8 | 160.7 | 49 | 0 | 0 | 0 | 0 | 109 | I229 | I229-T231 HydrophobicContact CG2-CG2 4.44Å; I229-T231 PolarHBondContact O-N 3.03Å; I229-T231 VanDerWaalsContact O-N 3.17Å | ||
| 232 | A | 38 | Very low | 42.7 | Very low | 89 Ų | 89 | 115.7 Ų | 115.7 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 134.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R230 | R230-A232 PolarHBondContact O-N 3.31Š|
| 233 | P | 42.3 | Very low | 42.7 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 78% | 0.779 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 134.5 | 176.8 | 28.3 | -33.7 | 0 | 0 | 0 | 110.7 | S235 | P233-S235 PolarHBondContact O-N 3.48Š|
| 234 | T | 37.5 | Very low | 42.6 | Very low | 128 Ų | 128 | 122.1 Ų | 122.1 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 119 | 167.2 | -63.6 | 0 | 0 | 0 | 0 | 109 | T236 | T234-T236 PolarHBondContact O-N 2.99Š|
| 235 | S | 37.8 | Very low | 42.4 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | -61.2 | 98.9 | -179.5 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | P233 | P233-S235 PolarHBondContact O-N 3.48Š| ||
| 236 | T | 37 | Very low | 42.3 | Very low | 119 Ų | 119 | 123.4 Ų | 123.4 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | trans | -86.2 | 116.7 | 159.3 | 45.7 | 0 | 0 | 0 | 0 | 108.8 | T234 T238 | T234-T236 PolarHBondContact O-N 2.99Å; T236-T238 PolarHBondContact O-N 3.16Å | ||
| 237 | I | 42.5 | Very low | 42.3 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | -68.4 | 112.1 | 179.8 | -64.7 | 169.8 | 0 | 0 | 0 | 109.2 | ||||
| 238 | T | 33.3 | Very low | 42.1 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -134.7 | 119.7 | 164.4 | 44.2 | 0 | 0 | 0 | 0 | 108.8 | T236 G240 | T236-T238 PolarHBondContact O-N 3.16Å; T238-G240 PolarHBondContact O-N 3.08Å | ||
| 239 | P | 43.8 | Very low | 42.1 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | trans | -77.5 | 86.2 | 177.7 | 31.2 | -33 | 0 | 0 | 0 | 110.2 | ||||
| 240 | G | 38.9 | Very low | 41.9 | Very low | 60 Ų | 60 | 126.3 Ų | 126.3 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | trans | -127.5 | 120.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | T238 V242 | T238-G240 PolarHBondContact O-N 3.08Å; G240-V242 PolarHBondContact O-N 3.48Å | ||
| 241 | V | 45.8 | Very low | 41.7 | Very low | 144 Ų | 144 | 121.5 Ų | 121.5 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | trans | -71.1 | 113.2 | -175.1 | 177 | 0 | 0 | 0 | 0 | 111 | ||||
| 242 | V | 40.1 | Very low | 41.7 | Very low | 139 Ų | 139 | 119 Ų | 119 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | -144.4 | 121.9 | 156.7 | -88.3 | 0 | 0 | 0 | 0 | 110.4 | G240 | G240-V242 PolarHBondContact O-N 3.48Š| ||
| 243 | M | 47.6 | Very low | 42.4 | Very low | 189 Ų | 189 | 116.9 Ų | 116.9 | 93% | 0.931 | 78% | 0.783 | S | S | * | * | trans | -79.2 | 122.9 | 176.3 | -72.1 | -80 | -155.5 | 0 | 0 | 110.8 | ||||
| 244 | A | 39.9 | Very low | 43 | Very low | 99 Ų | 99 | 112.9 Ų | 112.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -156.5 | 104.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 245 | A | 39.7 | Very low | 44.1 | Very low | 99 Ų | 99 | 111.5 Ų | 111.5 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 33.1 | 105.3 | 158 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 246 | S | 42.3 | Very low | 45.6 | Very low | 121 Ų | 121 | 112.1 Ų | 112.1 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 133.9 | 153.8 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 247 | P | 47 | Very low | 47.3 | Very low | 122 Ų | 122 | 112.5 Ų | 112.5 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 153.2 | 152.7 | 32.7 | -30 | 0 | 0 | 0 | 109.9 | ||
| 248 | A | 41.6 | Very low | 49.3 | Very low | 101 Ų | 101 | 108.8 Ų | 108.8 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 157.9 | -169 | 0 | 0 | 0 | 0 | 0 | 115 | G250 | A248-G250 PolarHBondContact O-N 2.95Š|
| 249 | L | 47.1 | Very low | 52 | Low | 181 Ų | 181 | 107.6 Ų | 107.6 | 95% | 0.948 | 72% | 0.716 | S | S | * | * | trans | -39.2 | 123.7 | 172.3 | -177.3 | 65.7 | 0 | 0 | 0 | 114.3 | ||||
| 250 | G | 43.3 | Very low | 54.3 | Low | 66 Ų | 66 | 109 Ų | 109 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | trans | -160.4 | 76.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A248 | A248-G250 PolarHBondContact O-N 2.95Š| ||
| 251 | T | 44.9 | Very low | 56.9 | Low | 124 Ų | 124 | 112.2 Ų | 112.2 | 76% | 0.761 | 70% | 0.701 | S | S | * | * | trans | 63.4 | 72.6 | 163.6 | -40.5 | 0 | 0 | 0 | 0 | 117.3 | G253 | T251-G253 PolarHBondContact O-N 3.27Š| ||
| 252 | G | 46.1 | Very low | 59.3 | Low | 67 Ų | 67 | 113 Ų | 113 | 69% | 0.691 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 14.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 253 | G | 51.5 | Low | 61.9 | Low | 44 Ų | 44 | 112.3 Ų | 112.3 | 45% | 0.454 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.8 | -28.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T251 T255 E256 E257 | T251-G253 PolarHBondContact O-N 3.27Å; G253-T255 PolarHBondContact O-N 3.23Å; G253-E256 PolarHBondContact O-N 3.2Å; G253-E257 PolarHBondContact O-N 2.88Å; G253-E257 VanDerWaalsContact O-N 3.16Å |
| 254 | G | 56.3 | Low | 64.2 | Low | 35 Ų | 35 | 106.9 Ų | 106.9 | 36% | 0.361 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -70.1 | -30.6 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | V258 | G254-V258 WeakPolarHBondContact O-CB 3.43Å; G254-V258 WeakPolarHBondContact O-CG2 3.46Å; G254-V258 PolarHBondContact O-N 2.86Å |
| 255 | T | 60.6 | Low | 67 | Low | 100 Ų | 100 | 109.7 Ų | 109.7 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.2 | -42.7 | 177.6 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | G253 V258 T259 | G253-T255 PolarHBondContact O-N 3.23Å; T255-V258 PolarHBondContact O-N 3.15Å; T255-T259 WeakPolarHBondContact O-CG2 3.36Å; T255-T259 PolarHBondContact O-N 3.39Å; T255-T259 PolarHBondContact O-OG1 3.18Å |
| 256 | E | 68.6 | Low | 69.8 | Low | 127 Ų | 127 | 110.2 Ų | 110.2 | 59% | 0.593 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.9 | -35.8 | 176.3 | -64.1 | -162.6 | 155.4 | 0 | 0 | 112.8 | G253 T259 R260 | G253-E256 PolarHBondContact O-N 3.2Å; E256-T259 WeakPolarHBondContact CA-OG1 3.36Å; E256-T259 PolarHBondContact O-OG1 3.04Å; E256-R260 VanDerWaalsContact O-CB 3.25Å; E256-R260 WeakPolarHBondContact O-CB 3.35Å; E256-R260 PolarHBondContact O-N 2.8Å |
| 257 | E | 73.4 | Confident | 72.3 | Confident | 126 Ų | 126 | 109.6 Ų | 109.6 | 59% | 0.589 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.9 | -42.1 | 173.4 | -157.6 | -146 | 146.8 | 0 | 0 | 111 | G253 R260 K261 | G253-E257 PolarHBondContact O-N 2.88Å; G253-E257 VanDerWaalsContact O-N 3.16Å; E257-R260 PolarHBondContact O-N 3.27Å; E257-K261 WeakPolarHBondContact O-CB 3.48Å; E257-K261 PolarHBondContact O-N 3.35Å |
| 258 | V | 84.2 | Confident | 74.8 | Confident | 88 Ų | 88 | 110.5 Ų | 110.5 | 53% | 0.533 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.2 | -38.7 | 177.9 | 167.9 | 0 | 0 | 0 | 0 | 112.3 | G254 T255 R262 | G254-V258 WeakPolarHBondContact O-CB 3.43Å; G254-V258 WeakPolarHBondContact O-CG2 3.46Å; G254-V258 PolarHBondContact O-N 2.86Å; T255-V258 PolarHBondContact O-N 3.15Å; V258-R262 WeakPolarHBondContact O-CB 3.24Å; V258-R262 PolarHBondContact O-N 2.95Å |
| 259 | T | 89.2 | Confident | 77.5 | Confident | 89 Ų | 89 | 111 Ų | 111 | 55% | 0.546 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.4 | -46.4 | 174.3 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | T255 E256 K261 R262 E263 | T255-T259 WeakPolarHBondContact O-CG2 3.36Å; T255-T259 PolarHBondContact O-N 3.39Å; T255-T259 PolarHBondContact O-OG1 3.18Å; E256-T259 WeakPolarHBondContact CA-OG1 3.36Å; E256-T259 PolarHBondContact O-OG1 3.04Å; T259-K261 VanDerWaalsContact C-N 3.31Å; T259-K261 PolarHBondContact O-N 2.84Å; T259-R262 WeakPolarHBondContact O-CA 3.26Å; T259-R262 WeakPolarHBondContact O-CB 3.46Å; T259-R262 PolarHBondContact O-N 3.42Å; T259-E263 PolarHBondContact O-N 3.14Å |
| 260 | R | 92.3 | Very high | 79.9 | Confident | 168 Ų | 168 | 109.5 Ų | 109.5 | 63% | 0.634 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.9 | -40.7 | 175.2 | -166 | -178 | -62.4 | -164.3 | 2.1 | 111.8 | E256 E257 R262 E263 V264 | E256-R260 VanDerWaalsContact O-CB 3.25Å; E256-R260 WeakPolarHBondContact O-CB 3.35Å; E256-R260 PolarHBondContact O-N 2.8Å; E257-R260 PolarHBondContact O-N 3.27Å; R260-R262 VanDerWaalsContact C-N 3.35Å; R260-R262 PolarHBondContact O-N 2.82Å; R260-E263 PolarHBondContact O-N 3.39Å; R260-V264 WeakPolarHBondContact O-CG2 3.48Å; R260-V264 PolarHBondContact O-N 2.96Å |
| 261 | K | 94.5 | Very high | 82.5 | Confident | 128 Ų | 128 | 112.4 Ų | 112.4 | 56% | 0.557 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.3 | -27.4 | 174.7 | -173.4 | 173.4 | -176 | 171.9 | 0 | 113.3 | E257 T259 R265 | E257-K261 WeakPolarHBondContact O-CB 3.48Å; E257-K261 PolarHBondContact O-N 3.35Å; T259-K261 VanDerWaalsContact C-N 3.31Å; T259-K261 PolarHBondContact O-N 2.84Å; K261-R265 WeakPolarHBondContact O-CG 3.36Å; K261-R265 PolarHBondContact O-N 3.12Å; K261-R265 PolarHBondContact O-NE 3.14Å |
| 262 | R | 94.7 | Very high | 85.1 | Confident | 161 Ų | 161 | 109.3 Ų | 109.3 | 61% | 0.608 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.3 | -46 | 169 | 179.9 | -176.2 | -73.9 | -148 | -1.9 | 110.4 | V258 T259 R260 R265 L266 | V258-R262 WeakPolarHBondContact O-CB 3.24Å; V258-R262 PolarHBondContact O-N 2.95Å; T259-R262 WeakPolarHBondContact O-CA 3.26Å; T259-R262 WeakPolarHBondContact O-CB 3.46Å; T259-R262 PolarHBondContact O-N 3.42Å; R260-R262 VanDerWaalsContact C-N 3.35Å; R260-R262 PolarHBondContact O-N 2.82Å; R262-R265 WeakPolarHBondContact O-CB 3.39Å; R262-R265 PolarHBondContact O-N 3.25Å; R262-L266 HydrophobicContact CG-CD1 4.2Å; R262-L266 WeakPolarHBondContact O-CG 3.49Å; R262-L266 PolarHBondContact O-N 3.48Å |
| 263 | E | 95.3 | Very high | 87.6 | Confident | 123 Ų | 123 | 107.9 Ų | 107.9 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60 | -49.3 | 179.4 | -175.9 | 174.4 | -157.2 | 0 | 0 | 112.2 | T259 R260 R265 L266 M267 | T259-E263 PolarHBondContact O-N 3.14Å; R260-E263 PolarHBondContact O-N 3.39Å; E263-R265 VanDerWaalsContact C-N 3.26Å; E263-R265 PolarHBondContact O-N 3.41Å; E263-L266 PolarHBondContact O-N 3.41Å; E263-M267 WeakPolarHBondContact O-CG 3.44Å; E263-M267 PolarHBondContact O-N 3.22Å |
| 264 | V | 96.6 | Very high | 89.8 | Confident | 75 Ų | 75 | 112.3 Ų | 112.3 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.5 | -38.1 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 111.9 | R260 K268 | R260-V264 WeakPolarHBondContact O-CG2 3.48Å; R260-V264 PolarHBondContact O-N 2.96Å; V264-K268 HydrophobicContact CG1-CD 4.36Å; V264-K268 WeakPolarHBondContact O-CB 3.48Å; V264-K268 WeakPolarHBondContact O-CG 3.27Å; V264-K268 PolarHBondContact O-N 3.33Å |
| 265 | R | 97.8 | Very high | 91.8 | Very high | 158 Ų | 158 | 113.7 Ų | 113.7 | 60% | 0.596 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.8 | -41.4 | 175.2 | -77.4 | -174.3 | -67.9 | 162.3 | -2.9 | 112.3 | K261 R262 E263 N269 | K261-R265 WeakPolarHBondContact O-CG 3.36Å; K261-R265 PolarHBondContact O-N 3.12Å; K261-R265 PolarHBondContact O-NE 3.14Å; R262-R265 WeakPolarHBondContact O-CB 3.39Å; R262-R265 PolarHBondContact O-N 3.25Å; E263-R265 VanDerWaalsContact C-N 3.26Å; E263-R265 PolarHBondContact O-N 3.41Å; R265-N269 VanDerWaalsContact O-CB 3.3Å; R265-N269 WeakPolarHBondContact O-CB 3.3Å; R265-N269 PolarHBondContact O-N 2.95Å |
| 266 | L | 97.9 | Very high | 93.7 | Very high | 111 Ų | 111 | 113.1 Ų | 113.1 | 58% | 0.581 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.2 | -40.1 | 176.4 | -68.8 | 173.5 | 0 | 0 | 0 | 111.6 | R262 E263 N269 R270 | R262-L266 HydrophobicContact CG-CD1 4.2Å; R262-L266 WeakPolarHBondContact O-CG 3.49Å; R262-L266 PolarHBondContact O-N 3.48Å; E263-L266 PolarHBondContact O-N 3.41Å; L266-N269 PolarHBondContact O-N 3.45Å; L266-R270 VanDerWaalsContact O-CB 3.31Å; L266-R270 WeakPolarHBondContact O-CB 3.44Å; L266-R270 PolarHBondContact O-N 3.33Å |
| 267 | M | 96.4 | Very high | 95.1 | Very high | 108 Ų | 108 | 116.2 Ų | 116.2 | 53% | 0.532 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 175.6 | -70.4 | -69 | -101.2 | 0 | 0 | 111.7 | E263 N269 R270 E271 | E263-M267 WeakPolarHBondContact O-CG 3.44Å; E263-M267 PolarHBondContact O-N 3.22Å; M267-N269 VanDerWaalsContact C-N 3.34Å; M267-N269 PolarHBondContact O-N 2.89Å; M267-R270 WeakPolarHBondContact O-CB 3.47Å; M267-R270 PolarHBondContact O-N 3.42Å; M267-E271 PolarHBondContact O-N 2.67Å |
| 268 | K | 98.4 | Very high | 96.3 | Very high | 141 Ų | 141 | 115.4 Ų | 115.4 | 61% | 0.613 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.7 | -38.1 | 175 | -73.5 | -174.8 | 175.7 | -169.7 | 0 | 112.8 | V264 E271 A272 | V264-K268 HydrophobicContact CG1-CD 4.36Å; V264-K268 WeakPolarHBondContact O-CB 3.48Å; V264-K268 WeakPolarHBondContact O-CG 3.27Å; V264-K268 PolarHBondContact O-N 3.33Å; K268-E271 PolarHBondContact O-N 3.42Å; K268-A272 WeakPolarHBondContact O-CB 3.48Å; K268-A272 PolarHBondContact O-N 2.94Å |
| 269 | N | 98.2 | Very high | 97 | Very high | 112 Ų | 112 | 116.8 Ų | 116.8 | 60% | 0.599 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.6 | -41 | 175.4 | -176.3 | -97 | 0 | 0 | 0 | 111.9 | R265 L266 M267 E271 A272 A273 | R265-N269 VanDerWaalsContact O-CB 3.3Å; R265-N269 WeakPolarHBondContact O-CB 3.3Å; R265-N269 PolarHBondContact O-N 2.95Å; L266-N269 PolarHBondContact O-N 3.45Å; M267-N269 VanDerWaalsContact C-N 3.34Å; M267-N269 PolarHBondContact O-N 2.89Å; N269-E271 VanDerWaalsContact C-N 3.31Å; N269-E271 PolarHBondContact O-N 3.4Å; N269-A272 PolarHBondContact O-N 3.44Å; N269-A273 VanDerWaalsContact O-CB 3.3Å; N269-A273 WeakPolarHBondContact O-CB 3.28Å; N269-A273 PolarHBondContact O-N 2.81Å |
| 270 | R | 98.4 | Very high | 97.5 | Very high | 148 Ų | 148 | 119.7 Ų | 119.7 | 56% | 0.558 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.3 | -40.8 | 174.7 | -171.6 | -177.1 | -178.3 | -172.4 | 0.3 | 111.4 | L266 M267 R274 | L266-R270 VanDerWaalsContact O-CB 3.31Å; L266-R270 WeakPolarHBondContact O-CB 3.44Å; L266-R270 PolarHBondContact O-N 3.33Å; M267-R270 WeakPolarHBondContact O-CB 3.47Å; M267-R270 PolarHBondContact O-N 3.42Å; R270-R274 WeakPolarHBondContact O-CG 3.39Å; R270-R274 PolarHBondContact O-N 3.18Å |
| 271 | E | 98.3 | Very high | 97.8 | Very high | 127 Ų | 127 | 119.6 Ų | 119.6 | 59% | 0.593 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.5 | -51.1 | 175.3 | -170.4 | 174.2 | -169.4 | 0 | 0 | 112.2 | M267 K268 N269 A273 R274 E275 | M267-E271 PolarHBondContact O-N 2.67Å; K268-E271 PolarHBondContact O-N 3.42Å; N269-E271 VanDerWaalsContact C-N 3.31Å; N269-E271 PolarHBondContact O-N 3.4Å; E271-A273 PolarHBondContact O-N 2.99Å; E271-R274 WeakPolarHBondContact O-CB 3.23Å; E271-R274 PolarHBondContact O-N 3.35Å; E271-E275 PolarHBondContact O-N 2.89Å |
| 272 | A | 98.3 | Very high | 98 | Very high | 59 Ų | 59 | 118 Ų | 118 | 49% | 0.488 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -57 | -36.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K268 N269 E275 C276 | K268-A272 WeakPolarHBondContact O-CB 3.48Å; K268-A272 PolarHBondContact O-N 2.94Å; N269-A272 PolarHBondContact O-N 3.44Å; A272-E275 PolarHBondContact O-N 3.23Å; A272-C276 VanDerWaalsContact O-CB 3.23Å; A272-C276 WeakPolarHBondContact O-CB 3.48Å; A272-C276 PolarHBondContact O-N 3.02Å |
| 273 | A | 98.6 | Very high | 98.2 | Very high | 37 Ų | 37 | 117.4 Ų | 117.4 | 31% | 0.306 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.8 | -36.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N269 E271 R277 | N269-A273 VanDerWaalsContact O-CB 3.3Å; N269-A273 WeakPolarHBondContact O-CB 3.28Å; N269-A273 PolarHBondContact O-N 2.81Å; E271-A273 PolarHBondContact O-N 2.99Å; A273-R277 WeakPolarHBondContact O-CD 3.45Å; A273-R277 VanDerWaalsContact O-CG 3.23Å; A273-R277 WeakPolarHBondContact O-CG 3.42Å; A273-R277 PolarHBondContact O-N 3.24Å |
| 274 | R | 98.5 | Very high | 98.3 | Very high | 138 Ų | 138 | 114.4 Ų | 114.4 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.9 | -48.7 | 171.9 | -69.5 | -177.1 | -170.8 | 110 | -19.6 | 110.6 | R270 E271 C276 R277 R278 | R270-R274 WeakPolarHBondContact O-CG 3.39Å; R270-R274 PolarHBondContact O-N 3.18Å; E271-R274 WeakPolarHBondContact O-CB 3.23Å; E271-R274 PolarHBondContact O-N 3.35Å; R274-C276 PolarHBondContact O-N 3.33Å; R274-R277 WeakPolarHBondContact O-CB 3.32Å; R274-R277 PolarHBondContact O-N 3.23Å; R274-R277 VanDerWaalsContact O-N 3.14Å; R274-R278 PolarHBondContact O-N 2.93Å |
| 275 | E | 98.5 | Very high | 98.4 | Very high | 64 Ų | 64 | 117.9 Ų | 117.9 | 30% | 0.299 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | -177.6 | 175.8 | 59.3 | -173.1 | 0 | 0 | 112.4 | E271 A272 R277 R278 K279 | E271-E275 PolarHBondContact O-N 2.89Å; A272-E275 PolarHBondContact O-N 3.23Å; E275-R277 PolarHBondContact O-N 2.97Å; E275-R278 VanDerWaalsContact CD-NH2 3.28Å; E275-R278 PolarHBondContact O-N 3.44Å; E275-R278 IonicContact OE1-CZ 3.7Å; E275-R278 IonicContact OE1-NE 3.72Å; E275-R278 IonicContact OE1-NH2 2.71Å; E275-R278 PolarHBondContact OE1-NH2 3.17Å; E275-R278 IonicContact OE2-CZ 2.67Å; E275-R278 VanDerWaalsContact OE2-CZ 3.3Å; E275-R278 IonicContact OE2-NE 3.79Å; E275-R278 PolarHBondContact OE2-NE 2.75Å; E275-R278 IonicContact OE2-NH2 2.75Å; E275-R278 PolarHBondContact OE2-NH2 2.89Å; E275-K279 HydrophobicContact CG-CD 4.4Å; E275-K279 WeakPolarHBondContact O-CB 3.45Å; E275-K279 PolarHBondContact O-N 2.86Å; E275-K279 WeakPolarHBondContact OE1-CD 3.35Å; E275-K279 WeakPolarHBondContact OE1-CE 3.4Å; E275-K279 IonicContact OE1-NZ 3.99Å; E275-K279 PolarHBondContact OE1-NZ 3.4Å |
| 276 | C | 98.7 | Very high | 98.5 | Very high | 87 Ų | 87 | 114.2 Ų | 114.2 | 59% | 0.588 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.9 | -45 | 172 | 178.8 | 0 | 0 | 0 | 0 | 112 | A272 R274 K280 | A272-C276 VanDerWaalsContact O-CB 3.23Å; A272-C276 WeakPolarHBondContact O-CB 3.48Å; A272-C276 PolarHBondContact O-N 3.02Å; R274-C276 PolarHBondContact O-N 3.33Å; C276-K280 WeakPolarHBondContact O-CB 3.28Å; C276-K280 PolarHBondContact O-N 3.23Å |
| 277 | R | 98.8 | Very high | 98.5 | Very high | 192 Ų | 192 | 112.1 Ų | 112.1 | 73% | 0.725 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 176.9 | -69.2 | 168 | -174.4 | -168 | 1.3 | 112.1 | A273 R274 E275 K280 K281 | A273-R277 WeakPolarHBondContact O-CD 3.45Å; A273-R277 VanDerWaalsContact O-CG 3.23Å; A273-R277 WeakPolarHBondContact O-CG 3.42Å; A273-R277 PolarHBondContact O-N 3.24Å; R274-R277 WeakPolarHBondContact O-CB 3.32Å; R274-R277 PolarHBondContact O-N 3.23Å; R274-R277 VanDerWaalsContact O-N 3.14Å; E275-R277 PolarHBondContact O-N 2.97Å; R277-K280 PolarHBondContact O-N 3.46Å; R277-K281 PolarHBondContact O-N 3.03Å |
| 278 | R | 98.8 | Very high | 98.6 | Very high | 109 Ų | 109 | 112.8 Ų | 112.8 | 41% | 0.411 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -54.4 | 176.3 | -172.2 | -171.5 | 67.4 | 80.8 | 2.2 | 110.9 | R274 E275 K280 K281 E282 | R274-R278 PolarHBondContact O-N 2.93Å; E275-R278 VanDerWaalsContact CD-NH2 3.28Å; E275-R278 PolarHBondContact O-N 3.44Å; E275-R278 IonicContact OE1-CZ 3.7Å; E275-R278 IonicContact OE1-NE 3.72Å; E275-R278 IonicContact OE1-NH2 2.71Å; E275-R278 PolarHBondContact OE1-NH2 3.17Å; E275-R278 IonicContact OE2-CZ 2.67Å; E275-R278 VanDerWaalsContact OE2-CZ 3.3Å; E275-R278 IonicContact OE2-NE 3.79Å; E275-R278 PolarHBondContact OE2-NE 2.75Å; E275-R278 IonicContact OE2-NH2 2.75Å; E275-R278 PolarHBondContact OE2-NH2 2.89Å; R278-K280 VanDerWaalsContact C-N 3.31Å; R278-K280 PolarHBondContact O-N 2.96Å; R278-K281 PolarHBondContact O-N 2.79Å; R278-K281 VanDerWaalsContact O-N 3.09Å; R278-E282 WeakPolarHBondContact CG-OE1 3.35Å; R278-E282 IonicContact CZ-OE1 2.79Å; R278-E282 IonicContact CZ-OE2 3.3Å; R278-E282 IonicContact NH1-OE1 3.03Å; R278-E282 PolarHBondContact NH1-OE1 3.44Å; R278-E282 IonicContact NH1-OE2 2.75Å; R278-E282 PolarHBondContact NH1-OE2 2.75Å; R278-E282 PolarHBondContact O-N 3.46Å |
| 279 | K | 98.8 | Very high | 98.6 | Very high | 117 Ų | 117 | 111 Ų | 111 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.9 | -40.7 | 176.1 | -79.9 | 173.6 | 162.9 | 141 | 0 | 112.8 | E275 E282 Y283 | E275-K279 HydrophobicContact CG-CD 4.4Å; E275-K279 WeakPolarHBondContact O-CB 3.45Å; E275-K279 PolarHBondContact O-N 2.86Å; E275-K279 WeakPolarHBondContact OE1-CD 3.35Å; E275-K279 WeakPolarHBondContact OE1-CE 3.4Å; E275-K279 IonicContact OE1-NZ 3.99Å; E275-K279 PolarHBondContact OE1-NZ 3.4Å; K279-E282 PolarHBondContact O-N 2.84Å; K279-Y283 VanDerWaalsContact O-CB 3.32Å; K279-Y283 WeakPolarHBondContact O-CB 3.41Å; K279-Y283 PolarHBondContact O-N 2.95Å |
| 280 | K | 98.8 | Very high | 98.7 | Very high | 151 Ų | 151 | 113.2 Ų | 113.2 | 66% | 0.657 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -43.2 | 175.3 | -173.1 | 174.2 | -179.9 | 177.8 | 0 | 112.2 | C276 R277 R278 Y283 V284 | C276-K280 WeakPolarHBondContact O-CB 3.28Å; C276-K280 PolarHBondContact O-N 3.23Å; R277-K280 PolarHBondContact O-N 3.46Å; R278-K280 VanDerWaalsContact C-N 3.31Å; R278-K280 PolarHBondContact O-N 2.96Å; K280-Y283 PolarHBondContact O-N 2.91Å; K280-V284 WeakPolarHBondContact O-CG2 3.29Å; K280-V284 PolarHBondContact O-N 2.71Å; K280-V284 VanDerWaalsContact O-N 3.08Å |
| 281 | K | 98.8 | Very high | 98.7 | Very high | 166 Ų | 166 | 109.6 Ų | 109.6 | 72% | 0.722 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.4 | -43.8 | 176 | 177.9 | 178.8 | -82 | -167.3 | 0 | 111.5 | R277 R278 V284 K285 | R277-K281 PolarHBondContact O-N 3.03Å; R278-K281 PolarHBondContact O-N 2.79Å; R278-K281 VanDerWaalsContact O-N 3.09Å; K281-V284 PolarHBondContact O-N 2.89Å; K281-K285 PolarHBondContact O-N 2.98Å |
| 282 | E | 98.6 | Very high | 98.7 | Very high | 93 Ų | 93 | 106 Ų | 106 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.9 | -75.9 | 166.7 | -164.4 | 0 | 0 | 112.9 | R278 K279 K285 C286 | R278-E282 WeakPolarHBondContact CG-OE1 3.35Å; R278-E282 IonicContact CZ-OE1 2.79Å; R278-E282 IonicContact CZ-OE2 3.3Å; R278-E282 IonicContact NH1-OE1 3.03Å; R278-E282 PolarHBondContact NH1-OE1 3.44Å; R278-E282 IonicContact NH1-OE2 2.75Å; R278-E282 PolarHBondContact NH1-OE2 2.75Å; R278-E282 PolarHBondContact O-N 3.46Å; K279-E282 PolarHBondContact O-N 2.84Å; E282-K285 PolarHBondContact O-N 2.8Å; E282-C286 WeakPolarHBondContact O-CB 3.32Å; E282-C286 PolarHBondContact O-N 2.85Å |
| 283 | Y | 98.8 | Very high | 98.7 | Very high | 149 Ų | 149 | 106.3 Ų | 106.3 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 175.5 | 178.8 | -109.4 | 0 | 0 | 0 | 112 | K279 K280 C286 L287 | K279-Y283 VanDerWaalsContact O-CB 3.32Å; K279-Y283 WeakPolarHBondContact O-CB 3.41Å; K279-Y283 PolarHBondContact O-N 2.95Å; K280-Y283 PolarHBondContact O-N 2.91Å; Y283-C286 PolarHBondContact O-N 3.13Å; Y283-L287 HydrophobicContact CD1-CD1 4.1Å; Y283-L287 HydrophobicContact CE1-CD1 3.49Å; Y283-L287 VanDerWaalsContact CE1-CD1 3.49Å; Y283-L287 HydrophobicContact CE1-CG 4.19Å; Y283-L287 HydrophobicContact CE2-CD1 4.44Å; Y283-L287 HydrophobicContact CE2-CD2 4.45Å; Y283-L287 HydrophobicContact CE2-CG 4.31Å; Y283-L287 WeakPolarHBondContact O-CG 3.45Å; Y283-L287 PolarHBondContact O-N 3.24Å |
| 284 | V | 98.9 | Very high | 98.7 | Very high | 61 Ų | 61 | 108.2 Ų | 108.2 | 37% | 0.37 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.7 | -48.9 | 173.7 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | K280 K281 C286 L287 E288 | K280-V284 WeakPolarHBondContact O-CG2 3.29Å; K280-V284 PolarHBondContact O-N 2.71Å; K280-V284 VanDerWaalsContact O-N 3.08Å; K281-V284 PolarHBondContact O-N 2.89Å; V284-C286 VanDerWaalsContact C-N 3.28Å; V284-C286 PolarHBondContact O-N 3.07Å; V284-L287 WeakPolarHBondContact O-CB 3.23Å; V284-L287 PolarHBondContact O-N 3.23Å; V284-L287 VanDerWaalsContact O-N 3.09Å; V284-E288 HydrophobicContact CG1-CG 4.35Å; V284-E288 WeakPolarHBondContact CG1-OE1 3.48Å; V284-E288 WeakPolarHBondContact O-CG 3.3Å; V284-E288 PolarHBondContact O-N 2.99Å |
| 285 | K | 98.8 | Very high | 98.7 | Very high | 148 Ų | 148 | 107.5 Ų | 107.5 | 64% | 0.643 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.3 | -36.4 | 176.9 | -172.3 | 179.3 | 179.4 | -176.6 | 0 | 113.2 | K281 E282 E288 N289 | K281-K285 PolarHBondContact O-N 2.98Å; E282-K285 PolarHBondContact O-N 2.8Å; K285-E288 WeakPolarHBondContact CA-OE2 3.39Å; K285-N289 WeakPolarHBondContact O-CB 3.34Å; K285-N289 PolarHBondContact O-N 3.41Å |
| 286 | C | 98.6 | Very high | 98.7 | Very high | 81 Ų | 81 | 109.4 Ų | 109.4 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | E282 Y283 V284 N289 R290 | E282-C286 WeakPolarHBondContact O-CB 3.32Å; E282-C286 PolarHBondContact O-N 2.85Å; Y283-C286 PolarHBondContact O-N 3.13Å; V284-C286 VanDerWaalsContact C-N 3.28Å; V284-C286 PolarHBondContact O-N 3.07Å; C286-N289 PolarHBondContact O-N 3.26Å; C286-R290 WeakPolarHBondContact O-CB 3.42Å; C286-R290 PolarHBondContact O-N 3.26Å |
| 287 | L | 98.9 | Very high | 98.7 | Very high | 66 Ų | 66 | 110.3 Ų | 110.3 | 35% | 0.346 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 173 | -71.5 | 179.1 | 0 | 0 | 0 | 112 | Y283 V284 N289 R290 V291 | Y283-L287 HydrophobicContact CD1-CD1 4.1Å; Y283-L287 HydrophobicContact CE1-CD1 3.49Å; Y283-L287 VanDerWaalsContact CE1-CD1 3.49Å; Y283-L287 HydrophobicContact CE1-CG 4.19Å; Y283-L287 HydrophobicContact CE2-CD1 4.44Å; Y283-L287 HydrophobicContact CE2-CD2 4.45Å; Y283-L287 HydrophobicContact CE2-CG 4.31Å; Y283-L287 WeakPolarHBondContact O-CG 3.45Å; Y283-L287 PolarHBondContact O-N 3.24Å; V284-L287 WeakPolarHBondContact O-CB 3.23Å; V284-L287 PolarHBondContact O-N 3.23Å; V284-L287 VanDerWaalsContact O-N 3.09Å; L287-N289 VanDerWaalsContact C-N 3.33Å; L287-N289 PolarHBondContact O-N 3.06Å; L287-R290 PolarHBondContact O-N 2.98Å; L287-R290 VanDerWaalsContact O-N 3.16Å; L287-V291 WeakPolarHBondContact O-CG2 3.46Å; L287-V291 PolarHBondContact O-N 3.18Å |
| 288 | E | 98.6 | Very high | 98.7 | Very high | 122 Ų | 122 | 105.6 Ų | 105.6 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.6 | -46.2 | 175.4 | -70.3 | 166 | 169.9 | 0 | 0 | 111.2 | V284 K285 V291 A292 | V284-E288 HydrophobicContact CG1-CG 4.35Å; V284-E288 WeakPolarHBondContact CG1-OE1 3.48Å; V284-E288 WeakPolarHBondContact O-CG 3.3Å; V284-E288 PolarHBondContact O-N 2.99Å; K285-E288 WeakPolarHBondContact CA-OE2 3.39Å; E288-V291 PolarHBondContact O-N 3.4Å; E288-A292 PolarHBondContact O-N 3.27Å |
| 289 | N | 98.8 | Very high | 98.7 | Very high | 104 Ų | 104 | 106.2 Ų | 106.2 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -42 | 175.2 | -179.9 | -105.3 | 0 | 0 | 0 | 112.4 | K285 C286 L287 V291 A292 V293 | K285-N289 WeakPolarHBondContact O-CB 3.34Å; K285-N289 PolarHBondContact O-N 3.41Å; C286-N289 PolarHBondContact O-N 3.26Å; L287-N289 VanDerWaalsContact C-N 3.33Å; L287-N289 PolarHBondContact O-N 3.06Å; N289-V291 VanDerWaalsContact C-N 3.32Å; N289-V291 PolarHBondContact O-N 2.85Å; N289-A292 PolarHBondContact O-N 3.26Å; N289-V293 WeakPolarHBondContact O-CG2 3.23Å; N289-V293 PolarHBondContact O-N 2.99Å |
| 290 | R | 98.8 | Very high | 98.7 | Very high | 158 Ų | 158 | 103.4 Ų | 103.4 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -37.4 | 177.7 | -162.5 | 178.3 | 84.6 | 162.5 | 6.5 | 111.9 | C286 L287 L294 | C286-R290 WeakPolarHBondContact O-CB 3.42Å; C286-R290 PolarHBondContact O-N 3.26Å; L287-R290 PolarHBondContact O-N 2.98Å; L287-R290 VanDerWaalsContact O-N 3.16Å; R290-L294 HydrophobicContact CG-CD1 4.19Å; R290-L294 WeakPolarHBondContact O-CB 3.48Å; R290-L294 WeakPolarHBondContact O-CD1 3.45Å; R290-L294 VanDerWaalsContact O-CG 3.24Å; R290-L294 WeakPolarHBondContact O-CG 3.36Å; R290-L294 PolarHBondContact O-N 3.21Å |
| 291 | V | 98.8 | Very high | 98.7 | Very high | 73 Ų | 73 | 100.5 Ų | 100.5 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.2 | -51.9 | 172.7 | 168.9 | 0 | 0 | 0 | 0 | 110 | L287 E288 N289 V293 L294 E295 | L287-V291 WeakPolarHBondContact O-CG2 3.46Å; L287-V291 PolarHBondContact O-N 3.18Å; E288-V291 PolarHBondContact O-N 3.4Å; N289-V291 VanDerWaalsContact C-N 3.32Å; N289-V291 PolarHBondContact O-N 2.85Å; V291-V293 VanDerWaalsContact C-N 3.3Å; V291-V293 PolarHBondContact O-N 3Å; V291-L294 PolarHBondContact O-N 3.41Å; V291-L294 VanDerWaalsContact O-N 3.08Å; V291-E295 HydrophobicContact CG1-CG 4.2Å; V291-E295 WeakPolarHBondContact CG1-OE1 3.31Å; V291-E295 WeakPolarHBondContact O-CG 3.35Å; V291-E295 PolarHBondContact O-N 3.38Å |
| 292 | A | 98.8 | Very high | 98.6 | Very high | 51 Ų | 51 | 98 Ų | 98 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.1 | -37.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | E288 N289 N296 | E288-A292 PolarHBondContact O-N 3.27Å; N289-A292 PolarHBondContact O-N 3.26Å; A292-N296 WeakPolarHBondContact O-CB 3.06Å; A292-N296 PolarHBondContact O-N 3.47Å |
| 293 | V | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 98.7 Ų | 98.7 | 40% | 0.4 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -45.5 | 174 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | N289 V291 N296 Q297 | N289-V293 WeakPolarHBondContact O-CG2 3.23Å; N289-V293 PolarHBondContact O-N 2.99Å; V291-V293 VanDerWaalsContact C-N 3.3Å; V291-V293 PolarHBondContact O-N 3Å; V293-N296 PolarHBondContact O-N 2.93Å; V293-Q297 WeakPolarHBondContact O-CB 3.44Å; V293-Q297 WeakPolarHBondContact O-CG 3.3Å; V293-Q297 PolarHBondContact O-N 3.02Å |
| 294 | L | 98.6 | Very high | 98.5 | Very high | 76 Ų | 76 | 96.6 Ų | 96.6 | 40% | 0.398 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.2 | -36.3 | 178.8 | -71.9 | 167.7 | 0 | 0 | 0 | 112.3 | R290 V291 N298 | R290-L294 HydrophobicContact CG-CD1 4.19Å; R290-L294 WeakPolarHBondContact O-CB 3.48Å; R290-L294 WeakPolarHBondContact O-CD1 3.45Å; R290-L294 VanDerWaalsContact O-CG 3.24Å; R290-L294 WeakPolarHBondContact O-CG 3.36Å; R290-L294 PolarHBondContact O-N 3.21Å; V291-L294 PolarHBondContact O-N 3.41Å; V291-L294 VanDerWaalsContact O-N 3.08Å; L294-N298 WeakPolarHBondContact O-CB 3.5Å; L294-N298 PolarHBondContact O-N 2.95Å; L294-N298 PolarHBondContact O-ND2 3.44Å |
| 295 | E | 98.5 | Very high | 98.4 | Very high | 124 Ų | 124 | 98.7 Ų | 98.7 | 58% | 0.579 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -45 | 173.5 | -73.8 | 172.5 | 166 | 0 | 0 | 111.1 | V291 N298 K299 | V291-E295 HydrophobicContact CG1-CG 4.2Å; V291-E295 WeakPolarHBondContact CG1-OE1 3.31Å; V291-E295 WeakPolarHBondContact O-CG 3.35Å; V291-E295 PolarHBondContact O-N 3.38Å; E295-N298 PolarHBondContact O-N 3.21Å; E295-K299 WeakPolarHBondContact O-CB 3.4Å; E295-K299 PolarHBondContact O-N 3.08Å |
| 296 | N | 98.7 | Very high | 98.3 | Very high | 104 Ų | 104 | 97.9 Ų | 97.9 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -43 | 176.6 | -166.9 | 47.8 | 0 | 0 | 0 | 112.1 | A292 V293 K299 T300 | A292-N296 WeakPolarHBondContact O-CB 3.06Å; A292-N296 PolarHBondContact O-N 3.47Å; V293-N296 PolarHBondContact O-N 2.93Å; N296-K299 WeakPolarHBondContact O-CB 3.27Å; N296-K299 PolarHBondContact O-N 3.04Å; N296-T300 PolarHBondContact O-N 3.38Å; N296-T300 PolarHBondContact O-OG1 3.16Å |
| 297 | Q | 98.6 | Very high | 98.2 | Very high | 106 Ų | 106 | 96.8 Ų | 96.8 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 174.6 | -76.3 | 177.4 | -29 | 0 | 0 | 112.1 | V293 K299 T300 L301 | V293-Q297 WeakPolarHBondContact O-CB 3.44Å; V293-Q297 WeakPolarHBondContact O-CG 3.3Å; V293-Q297 PolarHBondContact O-N 3.02Å; Q297-K299 VanDerWaalsContact C-N 3.3Å; Q297-K299 PolarHBondContact O-N 3.03Å; Q297-T300 PolarHBondContact O-N 3.37Å; Q297-L301 VanDerWaalsContact O-CG 3.32Å; Q297-L301 WeakPolarHBondContact O-CG 3.48Å; Q297-L301 PolarHBondContact O-N 3.1Å |
| 298 | N | 98.6 | Very high | 98.1 | Very high | 93 Ų | 93 | 99.2 Ų | 99.2 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 175.4 | -82 | -60.1 | 0 | 0 | 0 | 111.8 | L294 E295 L301 I302 | L294-N298 WeakPolarHBondContact O-CB 3.5Å; L294-N298 PolarHBondContact O-N 2.95Å; L294-N298 PolarHBondContact O-ND2 3.44Å; E295-N298 PolarHBondContact O-N 3.21Å; N298-L301 PolarHBondContact O-N 3.11Å; N298-I302 WeakPolarHBondContact O-CB 3.37Å; N298-I302 WeakPolarHBondContact O-CD1 3.41Å; N298-I302 VanDerWaalsContact O-CG1 3.22Å; N298-I302 WeakPolarHBondContact O-CG1 3.49Å; N298-I302 PolarHBondContact O-N 3.03Å |
| 299 | K | 98.6 | Very high | 97.9 | Very high | 121 Ų | 121 | 100.1 Ų | 100.1 | 53% | 0.526 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -49.1 | 176.7 | -175.2 | -177.6 | 169.7 | -173.1 | 0 | 111.8 | E295 N296 Q297 L301 I302 E303 | E295-K299 WeakPolarHBondContact O-CB 3.4Å; E295-K299 PolarHBondContact O-N 3.08Å; N296-K299 WeakPolarHBondContact O-CB 3.27Å; N296-K299 PolarHBondContact O-N 3.04Å; Q297-K299 VanDerWaalsContact C-N 3.3Å; Q297-K299 PolarHBondContact O-N 3.03Å; K299-L301 PolarHBondContact O-N 2.91Å; K299-I302 PolarHBondContact O-N 2.92Å; K299-E303 WeakPolarHBondContact CE-OE1 3.46Å; K299-E303 IonicContact NZ-OE1 3.87Å; K299-E303 WeakPolarHBondContact O-CG 3.42Å; K299-E303 PolarHBondContact O-N 3.01Å |
| 300 | T | 98.5 | Very high | 97.6 | Very high | 58 Ų | 58 | 98.6 Ų | 98.6 | 36% | 0.356 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 176.9 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | N296 Q297 I302 E303 E304 | N296-T300 PolarHBondContact O-N 3.38Å; N296-T300 PolarHBondContact O-OG1 3.16Å; Q297-T300 PolarHBondContact O-N 3.37Å; T300-I302 VanDerWaalsContact C-N 3.31Å; T300-I302 PolarHBondContact O-N 3.41Å; T300-E303 PolarHBondContact O-N 3.07Å; T300-E303 VanDerWaalsContact O-N 3.15Å; T300-E304 HydrophobicContact CG2-CG 4.47Å; T300-E304 WeakPolarHBondContact O-CG 3.48Å; T300-E304 PolarHBondContact O-N 3.41Å |
| 301 | L | 98.6 | Very high | 97.3 | Very high | 91 Ų | 91 | 96.2 Ų | 96.2 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 177.4 | -69.7 | 170.2 | 0 | 0 | 0 | 112.6 | Q297 N298 K299 L305 | Q297-L301 VanDerWaalsContact O-CG 3.32Å; Q297-L301 WeakPolarHBondContact O-CG 3.48Å; Q297-L301 PolarHBondContact O-N 3.1Å; N298-L301 PolarHBondContact O-N 3.11Å; K299-L301 PolarHBondContact O-N 2.91Å; L301-L305 VanDerWaalsContact O-CB 3.29Å; L301-L305 WeakPolarHBondContact O-CB 3.4Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 3.26Å |
| 302 | I | 97.9 | Very high | 96.9 | Very high | 114 Ų | 114 | 101.6 Ų | 101.6 | 59% | 0.585 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 174.2 | -71.4 | 163.5 | 0 | 0 | 0 | 111.1 | N298 K299 T300 K306 | N298-I302 WeakPolarHBondContact O-CB 3.37Å; N298-I302 WeakPolarHBondContact O-CD1 3.41Å; N298-I302 VanDerWaalsContact O-CG1 3.22Å; N298-I302 WeakPolarHBondContact O-CG1 3.49Å; N298-I302 PolarHBondContact O-N 3.03Å; K299-I302 PolarHBondContact O-N 2.92Å; T300-I302 VanDerWaalsContact C-N 3.31Å; T300-I302 PolarHBondContact O-N 3.41Å; I302-K306 WeakPolarHBondContact O-CB 3.46Å; I302-K306 PolarHBondContact O-N 2.95Å |
| 303 | E | 97.7 | Very high | 95.9 | Very high | 107 Ų | 107 | 103 Ų | 103 | 50% | 0.5 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 177.3 | -72.4 | 173.5 | -178.6 | 0 | 0 | 111.7 | K299 T300 K306 A307 | K299-E303 WeakPolarHBondContact CE-OE1 3.46Å; K299-E303 IonicContact NZ-OE1 3.87Å; K299-E303 WeakPolarHBondContact O-CG 3.42Å; K299-E303 PolarHBondContact O-N 3.01Å; T300-E303 PolarHBondContact O-N 3.07Å; T300-E303 VanDerWaalsContact O-N 3.15Å; E303-K306 PolarHBondContact O-N 3.49Å; E303-A307 PolarHBondContact O-N 3.36Å |
| 304 | E | 97.2 | Very high | 94.4 | Very high | 105 Ų | 105 | 106.9 Ų | 106.9 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -51 | 172.9 | -72.7 | 176.6 | -179.2 | 0 | 0 | 111.8 | T300 K306 A307 L308 | T300-E304 HydrophobicContact CG2-CG 4.47Å; T300-E304 WeakPolarHBondContact O-CG 3.48Å; T300-E304 PolarHBondContact O-N 3.41Å; E304-K306 PolarHBondContact O-N 3.02Å; E304-A307 PolarHBondContact O-N 2.87Å; E304-A307 VanDerWaalsContact O-N 3.13Å; E304-L308 WeakPolarHBondContact O-CD1 3.35Å; E304-L308 PolarHBondContact O-N 3.29Å |
| 305 | L | 97.1 | Very high | 92.5 | Very high | 104 Ų | 104 | 110.7 Ų | 110.7 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.1 | -32 | 177.6 | -75.5 | 173.2 | 0 | 0 | 0 | 112.4 | L301 K309 | L301-L305 VanDerWaalsContact O-CB 3.29Å; L301-L305 WeakPolarHBondContact O-CB 3.4Å; L301-L305 WeakPolarHBondContact O-CG 3.42Å; L301-L305 PolarHBondContact O-N 3.26Å; L305-K309 WeakPolarHBondContact O-CB 3.44Å; L305-K309 WeakPolarHBondContact O-CD 3.37Å; L305-K309 VanDerWaalsContact O-CG 3.23Å; L305-K309 WeakPolarHBondContact O-CG 3.4Å; L305-K309 PolarHBondContact O-N 2.97Å |
| 306 | K | 96.4 | Very high | 90.6 | Very high | 131 Ų | 131 | 109.2 Ų | 109.2 | 57% | 0.57 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -69 | -51.1 | 172.5 | -174.7 | -177.6 | 173.9 | -172.7 | 0 | 110.9 | I302 E303 E304 L308 K309 D310 | I302-K306 WeakPolarHBondContact O-CB 3.46Å; I302-K306 PolarHBondContact O-N 2.95Å; E303-K306 PolarHBondContact O-N 3.49Å; E304-K306 PolarHBondContact O-N 3.02Å; K306-L308 VanDerWaalsContact C-N 3.27Å; K306-L308 PolarHBondContact O-N 3.03Å; K306-K309 WeakPolarHBondContact O-CB 3.16Å; K306-K309 PolarHBondContact O-N 2.97Å; K306-D310 WeakPolarHBondContact CE-OD2 3.38Å; K306-D310 VanDerWaalsContact O-CG 3.28Å; K306-D310 PolarHBondContact O-N 3.48Å |
| 307 | A | 95.7 | Very high | 88.1 | Confident | 58 Ų | 58 | 115.5 Ų | 115.5 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -57.9 | -38.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | E303 E304 L311 | E303-A307 PolarHBondContact O-N 3.36Å; E304-A307 PolarHBondContact O-N 2.87Å; E304-A307 VanDerWaalsContact O-N 3.13Å; A307-L311 WeakPolarHBondContact O-CB 3.19Å; A307-L311 PolarHBondContact O-N 2.94Å |
| 308 | L | 96.3 | Very high | 87.6 | Confident | 117 Ų | 117 | 116 Ų | 116 | 61% | 0.613 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.5 | -39.5 | 174.4 | -90.6 | 73.7 | 0 | 0 | 0 | 112.6 | E304 K306 Y312 | E304-L308 WeakPolarHBondContact O-CD1 3.35Å; E304-L308 PolarHBondContact O-N 3.29Å; K306-L308 VanDerWaalsContact C-N 3.27Å; K306-L308 PolarHBondContact O-N 3.03Å; L308-Y312 PolarHBondContact O-N 3.48Å; L308-Y312 VanDerWaalsContact O-N 3.16Å |
| 309 | K | 94.6 | Very high | 87 | Confident | 141 Ų | 141 | 117.2 Ų | 117.2 | 61% | 0.613 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.9 | -45.7 | 176 | -77.4 | 171.8 | -178.4 | -178.9 | 0 | 112 | L305 K306 L311 Y312 C313 | L305-K309 WeakPolarHBondContact O-CB 3.44Å; L305-K309 WeakPolarHBondContact O-CD 3.37Å; L305-K309 VanDerWaalsContact O-CG 3.23Å; L305-K309 WeakPolarHBondContact O-CG 3.4Å; L305-K309 PolarHBondContact O-N 2.97Å; K306-K309 WeakPolarHBondContact O-CB 3.16Å; K306-K309 PolarHBondContact O-N 2.97Å; K309-L311 VanDerWaalsContact C-N 3.32Å; K309-L311 PolarHBondContact O-N 2.85Å; K309-Y312 PolarHBondContact O-N 3.13Å; K309-Y312 VanDerWaalsContact O-N 3.13Å; K309-C313 PolarHBondContact O-N 3.41Å |
| 310 | D | 93.5 | Very high | 86.3 | Confident | 73 Ų | 73 | 117 Ų | 117 | 39% | 0.39 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.4 | -44.4 | 178.8 | -64.9 | -8.6 | 0 | 0 | 0 | 109.8 | K306 Y312 C313 H314 | K306-D310 WeakPolarHBondContact CE-OD2 3.38Å; K306-D310 VanDerWaalsContact O-CG 3.28Å; K306-D310 PolarHBondContact O-N 3.48Å; D310-Y312 VanDerWaalsContact C-N 3.3Å; D310-Y312 PolarHBondContact O-N 3.44Å; D310-C313 PolarHBondContact O-N 3.01Å; D310-H314 PolarHBondContact O-CD2 3.45Å; D310-H314 PolarHBondContact O-N 3.48Å; D310-H314 VanDerWaalsContact O-N 3.13Å |
| 311 | L | 92.9 | Very high | 85.6 | Confident | 107 Ų | 107 | 120.5 Ų | 120.5 | 56% | 0.56 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.4 | -30 | 175.7 | -176.1 | 63.7 | 0 | 0 | 0 | 113.9 | A307 K309 K315 | A307-L311 WeakPolarHBondContact O-CB 3.19Å; A307-L311 PolarHBondContact O-N 2.94Å; K309-L311 VanDerWaalsContact C-N 3.32Å; K309-L311 PolarHBondContact O-N 2.85Å; L311-K315 WeakPolarHBondContact O-CG 3.25Å |
| 312 | Y | 89.4 | Confident | 84.8 | Confident | 186 Ų | 186 | 122.3 Ų | 122.3 | 73% | 0.729 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -80.1 | -41.2 | 177.6 | -167 | -100.4 | 0 | 0 | 0 | 111.8 | L308 K309 D310 H314 K315 S316 | L308-Y312 PolarHBondContact O-N 3.48Å; L308-Y312 VanDerWaalsContact O-N 3.16Å; K309-Y312 PolarHBondContact O-N 3.13Å; K309-Y312 VanDerWaalsContact O-N 3.13Å; D310-Y312 VanDerWaalsContact C-N 3.3Å; D310-Y312 PolarHBondContact O-N 3.44Å; Y312-H314 VanDerWaalsContact C-N 3.33Å; Y312-H314 PolarHBondContact O-N 2.94Å; Y312-K315 PolarHBondContact O-N 3.16Å; Y312-S316 PolarHBondContact O-OG 3.45Å |
| 313 | C | 77 | Confident | 83.9 | Confident | 82 Ų | 82 | 122.9 Ų | 122.9 | 55% | 0.554 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -61.1 | -39.1 | 175.3 | -82.8 | 0 | 0 | 0 | 0 | 112.8 | K309 D310 K315 S316 | K309-C313 PolarHBondContact O-N 3.41Å; D310-C313 PolarHBondContact O-N 3.01Å; C313-K315 PolarHBondContact O-N 3.2Å; C313-S316 PolarHBondContact O-N 3.4Å; C313-S316 PolarHBondContact O-OG 3.4Å |
| 314 | H | 67.3 | Low | 83 | Confident | 146 Ų | 146 | 124 Ų | 124 | 68% | 0.676 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 5.7 | 179.1 | -65.4 | -53.2 | 0 | 0 | 0 | 114.7 | D310 Y312 | D310-H314 PolarHBondContact O-CD2 3.45Å; D310-H314 PolarHBondContact O-N 3.48Å; D310-H314 VanDerWaalsContact O-N 3.13Å; Y312-H314 VanDerWaalsContact C-N 3.33Å; Y312-H314 PolarHBondContact O-N 2.94Å |
| 315 | K | 60.4 | Low | 81.9 | Confident | 157 Ų | 157 | 125.5 Ų | 125.5 | 68% | 0.683 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 3.1 | 172.1 | -81.7 | -175.5 | 176.5 | -176.9 | 0 | 113.7 | L311 Y312 C313 | L311-K315 WeakPolarHBondContact O-CG 3.25Å; Y312-K315 PolarHBondContact O-N 3.16Å; C313-K315 PolarHBondContact O-N 3.2Å |
| 316 | S | 58.4 | Low | 80.6 | Confident | 93 Ų | 93 | 127.3 Ų | 127.3 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | trans | -114.7 | 11.4 | -176.8 | 40.9 | 0 | 0 | 0 | 0 | 114.2 | Y312 C313 | Y312-S316 PolarHBondContact O-OG 3.45Å; C313-S316 PolarHBondContact O-N 3.4Å; C313-S316 PolarHBondContact O-OG 3.4Å | ||
| 317 | E | 45.5 | Very low | 79.2 | Confident | 236 Ų | 236 | 126.9 Ų | 126.9 | 100% | 1.103 | 64% | 0.641 | S | S | * | * | trans | -110.4 | 0 | 160 | -71.3 | -173.5 | 129.1 | 0 | 0 | 109.7 |
Retrieved 317 of 317 residues in 103.4 ms
(Link to these results)