| 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 | 42.5 | Very low | 51.6 | Low | 246 Ų | 246 | 152.4 Ų | 152.4 | 100% | 1.212 | 85% | 0.851 | S | S | * | * | 0 | 102.4 | 0 | -63.5 | -161.6 | -177.9 | 0 | 0 | 107.2 | |||||
| 2 | S | 39.2 | Very low | 51.9 | Low | 121 Ų | 121 | 159.7 Ų | 159.7 | 85% | 0.846 | 86% | 0.856 | S | S | * | * | trans | -119.6 | 108.5 | -174.9 | -67.2 | 0 | 0 | 0 | 0 | 109.1 | L4 | S2-L4 PolarHBondContact O-N 3.02Š| ||
| 3 | A | 50.9 | Low | 52.2 | Low | 97 Ų | 97 | 159.3 Ų | 159.3 | 80% | 0.802 | 86% | 0.862 | S | S | * | * | trans | -84.6 | 104.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | T5 | A3-T5 PolarHBondContact O-N 3.07Š| ||
| 4 | L | 52.7 | Low | 52.1 | Low | 167 Ų | 167 | 152.3 Ų | 152.3 | 87% | 0.874 | 85% | 0.846 | S | S | * | * | trans | -86.4 | 93.1 | 170 | -116 | 145.6 | 0 | 0 | 0 | 107.8 | S2 | S2-L4 PolarHBondContact O-N 3.02Š| ||
| 5 | T | 59.4 | Low | 52.5 | Low | 134 Ų | 134 | 148.1 Ų | 148.1 | 82% | 0.822 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 125.2 | 171.1 | 32.3 | 0 | 0 | 0 | 0 | 110.3 | A3 | A3-T5 PolarHBondContact O-N 3.07Š|
| 6 | R | 54.4 | Low | 52.7 | Low | 237 Ų | 237 | 153.6 Ų | 153.6 | 89% | 0.894 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 130.8 | -168.7 | -62.6 | 173.7 | 178 | -169.1 | -1.2 | 111.2 | ||
| 7 | L | 52.4 | Low | 52.9 | Low | 167 Ų | 167 | 155.4 Ų | 155.4 | 87% | 0.874 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 128.7 | 164.4 | -86.4 | 152.5 | 0 | 0 | 0 | 109.9 | ||
| 8 | P | 53 | Low | 52.9 | Low | 104 Ų | 104 | 158.3 Ų | 158.3 | 68% | 0.675 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 124.8 | 167.7 | 29.7 | -29.5 | 0 | 0 | 0 | 110.8 | F10 | P8-F10 PolarHBondContact O-N 2.98Š|
| 9 | S | 51.7 | Low | 53.1 | Low | 117 Ų | 117 | 162.7 Ų | 162.7 | 82% | 0.818 | 87% | 0.865 | S | S | * | * | trans | -71.9 | 115.6 | 171.9 | -56 | 0 | 0 | 0 | 0 | 111 | A11 | S9-A11 PolarHBondContact O-N 2.92Š| ||
| 10 | F | 55.6 | Low | 52.9 | Low | 211 Ų | 211 | 160.7 Ų | 160.7 | 93% | 0.925 | 86% | 0.864 | S | S | * | * | trans | -82 | 95.3 | 165.6 | -88 | -88.8 | 0 | 0 | 0 | 109.6 | P8 | P8-F10 PolarHBondContact O-N 2.98Š| ||
| 11 | A | 56.1 | Low | 53 | Low | 75 Ų | 75 | 156.6 Ų | 156.6 | 62% | 0.62 | 86% | 0.86 | S | S | * | * | trans | -126.8 | 119.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S9 | S9-A11 PolarHBondContact O-N 2.92Š| ||
| 12 | R | 55.3 | Low | 53.2 | Low | 240 Ų | 240 | 156.5 Ų | 156.5 | 91% | 0.906 | 85% | 0.846 | S | S | * | * | trans | 63.3 | 90.6 | 151.7 | -64 | -177.6 | -179.5 | 118.5 | -0.8 | 118.1 | ||||
| 13 | V | 55.4 | Low | 53.7 | Low | 155 Ų | 155 | 154.7 Ų | 154.7 | 94% | 0.939 | 84% | 0.839 | S | S | * | * | trans | -124.6 | 105.7 | 136 | 177.3 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 14 | G | 51.3 | Low | 53.7 | Low | 61 Ų | 61 | 162.1 Ų | 162.1 | 63% | 0.629 | 85% | 0.846 | S | S | * | * | cis | 114.9 | 74.6 | 49.7 | 0 | 0 | 0 | 0 | 0 | 106.1 | R16 | G14-R16 PolarHBondContact O-N 2.86Š| ||
| 15 | G | 57 | Low | 53.5 | Low | 89 Ų | 89 | 159.3 Ų | 159.3 | 92% | 0.918 | 84% | 0.836 | S | S | * | * | trans | -56.6 | 107.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 16 | R | 56.5 | Low | 53.2 | Low | 237 Ų | 237 | 158.2 Ų | 158.2 | 89% | 0.894 | 84% | 0.84 | S | S | * | * | trans | -154.8 | 43.2 | 170.7 | -139.3 | 178.6 | -164.6 | -169.9 | 4.4 | 113.6 | G14 | G14-R16 PolarHBondContact O-N 2.86Š| ||
| 17 | L | 56 | Low | 53.1 | Low | 184 Ų | 184 | 150.3 Ų | 150.3 | 96% | 0.963 | 83% | 0.832 | S | S | * | * | trans | -116.2 | 30.7 | 168.2 | -77.2 | 167.5 | 0 | 0 | 0 | 112.3 | ||||
| 18 | F | 53.5 | Low | 53.1 | Low | 207 Ų | 207 | 149 Ų | 149 | 91% | 0.908 | 83% | 0.826 | S | S | * | * | trans | -123.8 | 59.3 | 175.3 | -146.8 | -86.2 | 0 | 0 | 0 | 111.6 | ||||
| 19 | R | 56.4 | Low | 53.3 | Low | 242 Ų | 242 | 146.8 Ų | 146.8 | 91% | 0.913 | 82% | 0.823 | S | S | * | * | trans | -167.8 | 76.6 | 157.5 | -163.8 | 170.3 | -79.7 | -151.8 | -3.4 | 111.9 | ||||
| 20 | S | 48.1 | Very low | 53.8 | Low | 122 Ų | 122 | 143.9 Ų | 143.9 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -144.4 | 61.1 | 155.3 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | R22 | S20-R22 PolarHBondContact O-N 3.4Š| ||
| 21 | G | 54.8 | Low | 54.2 | Low | 75 Ų | 75 | 139.1 Ų | 139.1 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -75.8 | 105.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 22 | R | 48.4 | Very low | 54.5 | Low | 244 Ų | 244 | 146.6 Ų | 146.6 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | trans | -161.2 | 130.6 | 152.5 | -122.3 | 177.2 | 162.9 | 94.4 | -0.5 | 112.1 | S20 | S20-R22 PolarHBondContact O-N 3.4Š| ||
| 23 | A | 49 | Very low | 54.7 | Low | 83 Ų | 83 | 143.5 Ų | 143.5 | 69% | 0.686 | 81% | 0.807 | S | S | * | * | trans | 68.1 | 87.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | T25 | A23-T25 VanDerWaalsContact C-N 3.32Å; A23-T25 PolarHBondContact O-N 2.8Å | ||
| 24 | R | 49.7 | Very low | 54.9 | Low | 253 Ų | 253 | 140.3 Ų | 140.3 | 96% | 0.955 | 80% | 0.797 | S | S | * | * | trans | -57.1 | 100.4 | 143.5 | -68.6 | -174.3 | -87.1 | 163 | -6.5 | 107.2 | A26 | R24-A26 PolarHBondContact O-N 2.91Å; R24-A26 VanDerWaalsContact O-N 3.07Å | ||
| 25 | T | 49.5 | Very low | 55.3 | Low | 109 Ų | 109 | 141.1 Ų | 141.1 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | trans | -67.7 | 99.1 | 165.9 | 37.7 | 0 | 0 | 0 | 0 | 107.6 | A23 G27 | A23-T25 VanDerWaalsContact C-N 3.32Å; A23-T25 PolarHBondContact O-N 2.8Å; T25-G27 VanDerWaalsContact C-N 3.32Å; T25-G27 PolarHBondContact O-N 3.14Å | ||
| 26 | A | 52.5 | Low | 55.4 | Low | 110 Ų | 110 | 139.4 Ų | 139.4 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 97.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | R24 | R24-A26 PolarHBondContact O-N 2.91Å; R24-A26 VanDerWaalsContact O-N 3.07Å |
| 27 | G | 52.9 | Low | 55.6 | Low | 71 Ų | 71 | 131.6 Ų | 131.6 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 155.6 | -10.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | T25 G29 | T25-G27 VanDerWaalsContact C-N 3.32Å; T25-G27 PolarHBondContact O-N 3.14Å; G27-G29 PolarHBondContact O-N 3.32Å |
| 28 | D | 52.2 | Low | 55.8 | Low | 140 Ų | 140 | 129.7 Ų | 129.7 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | -78.2 | 83.4 | 167.5 | -160.4 | 38.1 | 0 | 0 | 0 | 108.2 | G30 | D28-G30 VanDerWaalsContact C-N 3.31Å; D28-G30 PolarHBondContact O-N 2.77Å | ||
| 29 | G | 57.5 | Low | 56.6 | Low | 58 Ų | 58 | 126 Ų | 126 | 60% | 0.598 | 76% | 0.762 | S | S | * | * | trans | -57.7 | 100 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | G27 V31 | G27-G29 PolarHBondContact O-N 3.32Å; G29-V31 PolarHBondContact O-N 2.91Å | ||
| 30 | G | 61.8 | Low | 57.6 | Low | 56 Ų | 56 | 118.4 Ų | 118.4 | 58% | 0.577 | 74% | 0.739 | S | S | * | * | trans | -46.2 | 113.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | D28 R32 | D28-G30 VanDerWaalsContact C-N 3.31Å; D28-G30 PolarHBondContact O-N 2.77Å; G30-R32 VanDerWaalsContact C-N 3.28Å; G30-R32 WeakPolarHBondContact O-CG 3.43Å; G30-R32 PolarHBondContact O-N 3.05Å | ||
| 31 | V | 63.5 | Low | 59.2 | Low | 111 Ų | 111 | 119 Ų | 119 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | trans | -62.4 | 97.5 | 178.7 | 177.4 | 0 | 0 | 0 | 0 | 106.1 | G29 H33 | G29-V31 PolarHBondContact O-N 2.91Å; V31-H33 PolarHBondContact O-N 3.34Å; V31-H33 VanDerWaalsContact O-N 3.14Å | ||
| 32 | R | 63.3 | Low | 60.6 | Low | 232 Ų | 232 | 121.3 Ų | 121.3 | 88% | 0.875 | 73% | 0.729 | S | S | * | * | trans | -75.1 | 104 | 174.7 | -60.7 | -175 | -178.3 | -140 | -0 | 105.6 | G30 A34 | G30-R32 VanDerWaalsContact C-N 3.28Å; G30-R32 WeakPolarHBondContact O-CG 3.43Å; G30-R32 PolarHBondContact O-N 3.05Å; R32-A34 PolarHBondContact O-N 3.4Å | ||
| 33 | H | 60.1 | Low | 62.4 | Low | 174 Ų | 174 | 115.9 Ų | 115.9 | 81% | 0.806 | 71% | 0.709 | S | S | * | * | trans | -69.9 | 66 | 168.1 | -62.6 | -68.2 | 0 | 0 | 0 | 109.5 | V31 G35 | V31-H33 PolarHBondContact O-N 3.34Å; V31-H33 VanDerWaalsContact O-N 3.14Å; H33-G35 PolarHBondContact O-N 3.03Å | ||
| 34 | A | 58.4 | Low | 64.4 | Low | 89 Ų | 89 | 120.2 Ų | 120.2 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | trans | -87.9 | 92.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | R32 | R32-A34 PolarHBondContact O-N 3.4Š| ||
| 35 | G | 60.6 | Low | 66.5 | Low | 78 Ų | 78 | 118.4 Ų | 118.4 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 74 | 106.8 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116 | H33 | H33-G35 PolarHBondContact O-N 3.03Š|
| 36 | G | 58.7 | Low | 68.6 | Low | 53 Ų | 53 | 119.1 Ų | 119.1 | 55% | 0.546 | 70% | 0.698 | S | S | . | * | S | Bend | trans | 158.9 | -16.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | H39 | G36-H39 WeakPolarHBondContact CA-NE2 3.15Å; G36-H39 PolarHBondContact O-CE1 2.88Å; G36-H39 PolarHBondContact O-NE2 3.45Å |
| 37 | G | 60.4 | Low | 70.3 | Confident | 73 Ų | 73 | 121.3 Ų | 121.3 | 75% | 0.753 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -130.5 | -12.2 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 38 | V | 60.5 | Low | 72.1 | Confident | 144 Ų | 144 | 121.2 Ų | 121.2 | 87% | 0.873 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -108.3 | -6.1 | -173 | -171.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 39 | H | 69.9 | Low | 73.7 | Confident | 130 Ų | 130 | 118.7 Ų | 118.7 | 60% | 0.602 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 126.8 | -176.1 | 39.5 | 42.8 | 0 | 0 | 0 | 111.8 | G36 E41 | G36-H39 WeakPolarHBondContact CA-NE2 3.15Å; G36-H39 PolarHBondContact O-CE1 2.88Å; G36-H39 PolarHBondContact O-NE2 3.45Å; H39-E41 PolarHBondContact O-N 3.06Å |
| 40 | I | 77.3 | Confident | 75.2 | Confident | 82 Ų | 82 | 120 Ų | 120 | 42% | 0.421 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 126.1 | 166.4 | -68 | 162.2 | 0 | 0 | 0 | 108.4 | Q49 T51 | I40-Q49 HydrophobicContact CG2-CB 4.12Å; I40-Q49 VanDerWaalsContact CG2-O 3.31Å; I40-Q49 WeakPolarHBondContact CG2-O 3.31Å; I40-T51 HydrophobicContact CD1-CG2 4.48Å |
| 41 | E | 82.6 | Confident | 76.6 | Confident | 133 Ų | 133 | 120.1 Ų | 120.1 | 62% | 0.621 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 133.4 | -177.7 | -166.5 | 175.7 | -170.9 | 0 | 0 | 110.9 | H39 R43 | H39-E41 PolarHBondContact O-N 3.06Å; E41-R43 PolarHBondContact O-N 3.35Å |
| 42 | P | 83.6 | Confident | 77.9 | Confident | 125 Ų | 125 | 125.7 Ų | 125.7 | 81% | 0.812 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 126.8 | 177.1 | 26 | -33 | 0 | 0 | 0 | 110.6 | ||
| 43 | R | 85.9 | Confident | 79.2 | Confident | 130 Ų | 130 | 118 Ų | 118 | 49% | 0.491 | 63% | 0.63 | S | S | . | * | trans | -112.7 | 138.4 | 174.7 | -76.9 | -179.5 | 141.6 | -165.2 | -7.3 | 110.7 | E41 Q46 F47 | E41-R43 PolarHBondContact O-N 3.35Å; R43-Q46 HydrophobicContact CB-CB 4.37Å; R43-F47 PolarHBondContact NH1-O 2.97Å | ||
| 44 | Y | 92.3 | Very high | 80.7 | Confident | 173 Ų | 173 | 114.6 Ų | 114.6 | 68% | 0.678 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -98.6 | 129.4 | 179.8 | -176.7 | -116.2 | 0 | 0 | 0 | 112 | Q46 | Y44-Q46 PolarHBondContact O-N 3.25Š|
| 45 | R | 92.1 | Very high | 82.4 | Confident | 216 Ų | 216 | 113 Ų | 113 | 82% | 0.815 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 52.9 | 22.5 | 179.9 | -62 | -177 | -179.3 | -166.6 | 0.8 | 115.1 | ||
| 46 | Q | 93.8 | Very high | 84.2 | Confident | 124 Ų | 124 | 115.3 Ų | 115.3 | 58% | 0.579 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -129.9 | 159.5 | 179.6 | -66.2 | 177.2 | 5.2 | 0 | 0 | 109.7 | R43 Y44 | R43-Q46 HydrophobicContact CB-CB 4.37Å; Y44-Q46 PolarHBondContact O-N 3.25Å |
| 47 | F | 89.5 | Confident | 86 | Confident | 155 Ų | 155 | 117.8 Ų | 117.8 | 68% | 0.68 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 133.7 | 175.7 | -169.9 | -101.9 | 0 | 0 | 0 | 110.7 | R43 L50 | R43-F47 PolarHBondContact NH1-O 2.97Å; F47-L50 HydrophobicContact CE1-CD1 3.68Å; F47-L50 HydrophobicContact CZ-CD1 3.83Å |
| 48 | P | 89.3 | Confident | 87.7 | Confident | 70 Ų | 70 | 116.3 Ų | 116.3 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 156.6 | -179.4 | 28.1 | -35.5 | 0 | 0 | 0 | 111.3 | L50 | P48-L50 HydrophobicContact CG-CD1 4.08Å; P48-L50 PolarHBondContact O-N 3.36Å |
| 49 | Q | 87.3 | Confident | 89.4 | Confident | 87 Ų | 87 | 115.6 Ų | 115.6 | 41% | 0.407 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -76.4 | 123.5 | 172.5 | -59.8 | 177.6 | -3.3 | 0 | 0 | 108.8 | I40 | I40-Q49 HydrophobicContact CG2-CB 4.12Å; I40-Q49 VanDerWaalsContact CG2-O 3.31Å; I40-Q49 WeakPolarHBondContact CG2-O 3.31Å |
| 50 | L | 88.3 | Confident | 90.8 | Very high | 85 Ų | 85 | 113.5 Ų | 113.5 | 45% | 0.445 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -98.8 | 143.4 | 171.5 | -88 | 72 | 0 | 0 | 0 | 109.8 | F47 P48 V55 | F47-L50 HydrophobicContact CE1-CD1 3.68Å; F47-L50 HydrophobicContact CZ-CD1 3.83Å; P48-L50 HydrophobicContact CG-CD1 4.08Å; P48-L50 PolarHBondContact O-N 3.36Å; L50-V55 HydrophobicContact CB-CG2 3.96Å; L50-V55 HydrophobicContact CD2-CG2 3.68Å; L50-V55 HydrophobicContact CG-CG2 4.46Å |
| 51 | T | 90.9 | Very high | 91.7 | Very high | 59 Ų | 59 | 116.7 Ų | 116.7 | 36% | 0.362 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -77.8 | 140.6 | 169.8 | 63.7 | 0 | 0 | 0 | 0 | 109.5 | I40 S53 Q54 V55 | I40-T51 HydrophobicContact CD1-CG2 4.48Å; T51-S53 PolarHBondContact O-N 3.22Å; T51-S53 PolarHBondContact OG1-OG 3.41Å; T51-Q54 PolarHBondContact O-N 3.48Å; T51-Q54 VanDerWaalsContact O-N 3.1Å; T51-Q54 WeakPolarHBondContact OG1-CB 3.27Å; T51-Q54 PolarHBondContact OG1-N 3.43Å; T51-V55 PolarHBondContact O-N 3.1Å |
| 52 | R | 91.1 | Very high | 92.4 | Very high | 227 Ų | 227 | 113.2 Ų | 113.2 | 86% | 0.857 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.7 | -35.3 | 179 | -168.2 | -132.8 | -72 | -175.9 | -4.7 | 112 | V55 F56 | R52-V55 PolarHBondContact O-N 3.49Å; R52-F56 WeakPolarHBondContact O-CB 3.18Å; R52-F56 PolarHBondContact O-N 2.97Å |
| 53 | S | 91 | Very high | 93.1 | Very high | 71 Ų | 71 | 109.2 Ų | 109.2 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.8 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | T51 F56 Q57 | T51-S53 PolarHBondContact O-N 3.22Å; T51-S53 PolarHBondContact OG1-OG 3.41Å; S53-F56 PolarHBondContact O-N 3.44Å; S53-Q57 WeakPolarHBondContact O-CB 3Å; S53-Q57 VanDerWaalsContact O-CG 3.27Å; S53-Q57 WeakPolarHBondContact O-CG 3.27Å; S53-Q57 PolarHBondContact O-N 3.48Å |
| 54 | Q | 91.2 | Very high | 93.7 | Very high | 102 Ų | 102 | 107.9 Ų | 107.9 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 178.2 | -178 | 179.7 | 8.1 | 0 | 0 | 111.8 | T51 Q57 G58 | T51-Q54 PolarHBondContact O-N 3.48Å; T51-Q54 VanDerWaalsContact O-N 3.1Å; T51-Q54 WeakPolarHBondContact OG1-CB 3.27Å; T51-Q54 PolarHBondContact OG1-N 3.43Å; Q54-Q57 PolarHBondContact O-N 2.96Å; Q54-G58 PolarHBondContact O-N 2.86Å |
| 55 | V | 95 | Very high | 93.9 | Very high | 57 Ų | 57 | 104.1 Ų | 104.1 | 35% | 0.345 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 110.3 | L50 T51 R52 Q57 G58 E59 | L50-V55 HydrophobicContact CB-CG2 3.96Å; L50-V55 HydrophobicContact CD2-CG2 3.68Å; L50-V55 HydrophobicContact CG-CG2 4.46Å; T51-V55 PolarHBondContact O-N 3.1Å; R52-V55 PolarHBondContact O-N 3.49Å; V55-Q57 PolarHBondContact O-N 3.18Å; V55-G58 PolarHBondContact O-N 3.49Å; V55-E59 WeakPolarHBondContact O-CG 3.37Å; V55-E59 PolarHBondContact O-N 2.86Å |
| 56 | F | 96.6 | Very high | 94.1 | Very high | 125 Ų | 125 | 100.7 Ų | 100.7 | 55% | 0.548 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 179.5 | 177.2 | -101.8 | 0 | 0 | 0 | 112.7 | R52 S53 E59 L60 | R52-F56 WeakPolarHBondContact O-CB 3.18Å; R52-F56 PolarHBondContact O-N 2.97Å; S53-F56 PolarHBondContact O-N 3.44Å; F56-E59 PolarHBondContact O-N 3Å; F56-L60 HydrophobicContact CE1-CD1 4.31Å; F56-L60 HydrophobicContact CZ-CD1 4.12Å; F56-L60 VanDerWaalsContact O-CB 3.27Å; F56-L60 WeakPolarHBondContact O-CB 3.35Å; F56-L60 PolarHBondContact O-N 3.33Å |
| 57 | Q | 96.8 | Very high | 94.3 | Very high | 105 Ų | 105 | 100.8 Ų | 100.8 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 176.8 | -75.4 | 178 | -16.4 | 0 | 0 | 111.7 | S53 Q54 V55 L60 Y61 | S53-Q57 WeakPolarHBondContact O-CB 3Å; S53-Q57 VanDerWaalsContact O-CG 3.27Å; S53-Q57 WeakPolarHBondContact O-CG 3.27Å; S53-Q57 PolarHBondContact O-N 3.48Å; Q54-Q57 PolarHBondContact O-N 2.96Å; V55-Q57 PolarHBondContact O-N 3.18Å; Q57-L60 PolarHBondContact O-N 2.99Å; Q57-Y61 HydrophobicContact CB-CE2 4.23Å; Q57-Y61 WeakPolarHBondContact O-CD2 3.5Å; Q57-Y61 PolarHBondContact O-N 2.82Å |
| 58 | G | 96.4 | Very high | 94.5 | Very high | 43 Ų | 43 | 100.1 Ų | 100.1 | 44% | 0.443 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q54 V55 Y61 S62 | Q54-G58 PolarHBondContact O-N 2.86Å; V55-G58 PolarHBondContact O-N 3.49Å; G58-Y61 PolarHBondContact O-N 3.44Å; G58-S62 WeakPolarHBondContact O-CB 3.34Å; G58-S62 PolarHBondContact O-N 3.28Å |
| 59 | E | 97.4 | Very high | 94.7 | Very high | 129 Ų | 129 | 100.7 Ų | 100.7 | 60% | 0.603 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.7 | -40.4 | 175.7 | -71.4 | 175.5 | -178.4 | 0 | 0 | 112.2 | V55 F56 S62 G63 | V55-E59 WeakPolarHBondContact O-CG 3.37Å; V55-E59 PolarHBondContact O-N 2.86Å; F56-E59 PolarHBondContact O-N 3Å; E59-S62 PolarHBondContact O-N 2.99Å; E59-G63 PolarHBondContact O-N 2.87Å |
| 60 | L | 98.1 | Very high | 95 | Very high | 86 Ų | 86 | 101.8 Ų | 101.8 | 45% | 0.45 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 177.5 | -173.3 | 102.6 | 0 | 0 | 0 | 111.4 | F56 Q57 G63 L64 | F56-L60 HydrophobicContact CE1-CD1 4.31Å; F56-L60 HydrophobicContact CZ-CD1 4.12Å; F56-L60 VanDerWaalsContact O-CB 3.27Å; F56-L60 WeakPolarHBondContact O-CB 3.35Å; F56-L60 PolarHBondContact O-N 3.33Å; Q57-L60 PolarHBondContact O-N 2.99Å; L60-G63 PolarHBondContact O-N 3.41Å; L60-L64 VanDerWaalsContact O-CB 3.24Å; L60-L64 WeakPolarHBondContact O-CB 3.26Å; L60-L64 PolarHBondContact O-N 3.08Å |
| 61 | Y | 97.7 | Very high | 95.4 | Very high | 149 Ų | 149 | 102.1 Ų | 102.1 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.4 | -38.5 | 179.4 | -68.7 | -56.6 | 0 | 0 | 0 | 112.3 | Q57 G58 L64 M65 | Q57-Y61 HydrophobicContact CB-CE2 4.23Å; Q57-Y61 WeakPolarHBondContact O-CD2 3.5Å; Q57-Y61 PolarHBondContact O-N 2.82Å; G58-Y61 PolarHBondContact O-N 3.44Å; Y61-L64 PolarHBondContact O-N 2.82Å; Y61-M65 VanDerWaalsContact O-CB 3.31Å; Y61-M65 WeakPolarHBondContact O-CB 3.24Å; Y61-M65 PolarHBondContact O-N 3.43Å |
| 62 | S | 97.2 | Very high | 95.4 | Very high | 59 Ų | 59 | 104.4 Ų | 104.4 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -45.9 | 173.7 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | G58 E59 M65 W66 | G58-S62 WeakPolarHBondContact O-CB 3.34Å; G58-S62 PolarHBondContact O-N 3.28Å; E59-S62 PolarHBondContact O-N 2.99Å; S62-M65 PolarHBondContact O-N 2.97Å; S62-W66 PolarHBondContact O-N 3.4Å; S62-W66 VanDerWaalsContact O-N 3.08Å |
| 63 | G | 97.5 | Very high | 95.4 | Very high | 42 Ų | 42 | 98.5 Ų | 98.5 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E59 L60 W66 F67 | E59-G63 PolarHBondContact O-N 2.87Å; L60-G63 PolarHBondContact O-N 3.41Å; G63-W66 PolarHBondContact O-N 3.06Å; G63-F67 WeakPolarHBondContact O-CB 3.48Å; G63-F67 PolarHBondContact O-N 2.84Å |
| 64 | L | 97.9 | Very high | 95.5 | Very high | 102 Ų | 102 | 104.1 Ų | 104.1 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 177 | -174.1 | 147 | 0 | 0 | 0 | 111.7 | L60 Y61 W68 | L60-L64 VanDerWaalsContact O-CB 3.24Å; L60-L64 WeakPolarHBondContact O-CB 3.26Å; L60-L64 PolarHBondContact O-N 3.08Å; Y61-L64 PolarHBondContact O-N 2.82Å; L64-W68 VanDerWaalsContact O-CB 3.26Å; L64-W68 WeakPolarHBondContact O-CB 3.33Å; L64-W68 PolarHBondContact O-N 3.42Å |
| 65 | M | 97.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 103.5 Ų | 103.5 | 46% | 0.458 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -52.7 | 174.7 | 177.6 | -170 | 71.6 | 0 | 0 | 110.9 | Y61 S62 W68 I69 | Y61-M65 VanDerWaalsContact O-CB 3.31Å; Y61-M65 WeakPolarHBondContact O-CB 3.24Å; Y61-M65 PolarHBondContact O-N 3.43Å; S62-M65 PolarHBondContact O-N 2.97Å; M65-W68 PolarHBondContact O-N 3.42Å; M65-I69 HydrophobicContact CG-CD1 4.12Å; M65-I69 WeakPolarHBondContact O-CG1 3.35Å; M65-I69 PolarHBondContact O-N 2.65Å |
| 66 | W | 96.6 | Very high | 94.9 | Very high | 144 Ų | 144 | 102.8 Ų | 102.8 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.3 | -40.9 | 179.7 | -82.3 | 111.2 | 0 | 0 | 0 | 112.9 | S62 G63 W68 I69 L70 | S62-W66 PolarHBondContact O-N 3.4Å; S62-W66 VanDerWaalsContact O-N 3.08Å; G63-W66 PolarHBondContact O-N 3.06Å; W66-W68 VanDerWaalsContact C-N 3.27Å; W66-W68 PolarHBondContact O-N 2.81Å; W66-I69 HydrophobicContact CE3-CD1 4.23Å; W66-I69 HydrophobicContact CZ3-CD1 4.47Å; W66-I69 PolarHBondContact O-N 3.26Å; W66-L70 WeakPolarHBondContact O-CG 3.31Å; W66-L70 PolarHBondContact O-N 2.86Å |
| 67 | F | 96.3 | Very high | 94.2 | Very high | 126 Ų | 126 | 99.2 Ų | 99.2 | 55% | 0.553 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -55.7 | -46.4 | 172 | 169.8 | -102 | 0 | 0 | 0 | 110.6 | G63 L70 W71 | G63-F67 WeakPolarHBondContact O-CB 3.48Å; G63-F67 PolarHBondContact O-N 2.84Å; F67-L70 PolarHBondContact O-N 3.46Å; F67-W71 HydrophobicContact CE1-CB 4.5Å; F67-W71 HydrophobicContact CZ-CB 4.37Å; F67-W71 HydrophobicContact CZ-CG 4.33Å; F67-W71 WeakPolarHBondContact O-CB 3.19Å; F67-W71 PolarHBondContact O-N 3.23Å |
| 68 | W | 95.6 | Very high | 93.2 | Very high | 142 Ų | 142 | 98.6 Ų | 98.6 | 54% | 0.538 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | -179.8 | -170.5 | -104.8 | 0 | 0 | 0 | 112.6 | L64 M65 W66 W71 R72 | L64-W68 VanDerWaalsContact O-CB 3.26Å; L64-W68 WeakPolarHBondContact O-CB 3.33Å; L64-W68 PolarHBondContact O-N 3.42Å; M65-W68 PolarHBondContact O-N 3.42Å; W66-W68 VanDerWaalsContact C-N 3.27Å; W66-W68 PolarHBondContact O-N 2.81Å; W68-W71 HydrophobicContact CD2-CE3 4.47Å; W68-W71 HydrophobicContact CE3-CE3 4Å; W68-W71 AromaticContact CH2-CE3 3.89Å; W68-W71 HydrophobicContact CH2-CE3 3.89Å; W68-W71 HydrophobicContact CH2-CH2 4.34Å; W68-W71 AromaticContact CH2-CZ3 3.59Å; W68-W71 HydrophobicContact CH2-CZ3 3.59Å; W68-W71 HydrophobicContact CZ2-CE3 4.36Å; W68-W71 HydrophobicContact CZ2-CZ3 4.12Å; W68-W71 HydrophobicContact CZ3-CD2 4.33Å; W68-W71 AromaticContact CZ3-CE3 3.69Å; W68-W71 HydrophobicContact CZ3-CE3 3.69Å; W68-W71 AromaticContact CZ3-CZ3 3.82Å; W68-W71 HydrophobicContact CZ3-CZ3 3.82Å; W68-W71 PolarHBondContact O-N 3.4Å; W68-R72 WeakPolarHBondContact O-CB 3.19Å; W68-R72 PolarHBondContact O-N 2.81Å |
| 69 | I | 92.7 | Very high | 92.2 | Very high | 81 Ų | 81 | 100.9 Ų | 100.9 | 42% | 0.415 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 176.4 | -67.9 | 165 | 0 | 0 | 0 | 110.4 | M65 W66 F73 | M65-I69 HydrophobicContact CG-CD1 4.12Å; M65-I69 WeakPolarHBondContact O-CG1 3.35Å; M65-I69 PolarHBondContact O-N 2.65Å; W66-I69 HydrophobicContact CE3-CD1 4.23Å; W66-I69 HydrophobicContact CZ3-CD1 4.47Å; W66-I69 PolarHBondContact O-N 3.26Å; I69-F73 WeakPolarHBondContact O-CB 3.13Å; I69-F73 PolarHBondContact O-N 3Å |
| 70 | L | 93.9 | Very high | 91.3 | Very high | 111 Ų | 111 | 99.8 Ų | 99.8 | 58% | 0.581 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.7 | -39.6 | -178.9 | -67.4 | 175 | 0 | 0 | 0 | 112.2 | W66 F67 F73 W74 | W66-L70 WeakPolarHBondContact O-CG 3.31Å; W66-L70 PolarHBondContact O-N 2.86Å; F67-L70 PolarHBondContact O-N 3.46Å; L70-F73 PolarHBondContact O-N 3.33Å; L70-W74 WeakPolarHBondContact O-CB 3.46Å; L70-W74 PolarHBondContact O-N 3.43Å |
| 71 | W | 95.4 | Very high | 90.5 | Very high | 92 Ų | 92 | 102 Ų | 102 | 35% | 0.348 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 176.2 | -178.6 | 86 | 0 | 0 | 0 | 111 | F67 W68 W74 H75 | F67-W71 HydrophobicContact CE1-CB 4.5Å; F67-W71 HydrophobicContact CZ-CB 4.37Å; F67-W71 HydrophobicContact CZ-CG 4.33Å; F67-W71 WeakPolarHBondContact O-CB 3.19Å; F67-W71 PolarHBondContact O-N 3.23Å; W68-W71 HydrophobicContact CD2-CE3 4.47Å; W68-W71 HydrophobicContact CE3-CE3 4Å; W68-W71 AromaticContact CH2-CE3 3.89Å; W68-W71 HydrophobicContact CH2-CE3 3.89Å; W68-W71 HydrophobicContact CH2-CH2 4.34Å; W68-W71 AromaticContact CH2-CZ3 3.59Å; W68-W71 HydrophobicContact CH2-CZ3 3.59Å; W68-W71 HydrophobicContact CZ2-CE3 4.36Å; W68-W71 HydrophobicContact CZ2-CZ3 4.12Å; W68-W71 HydrophobicContact CZ3-CD2 4.33Å; W68-W71 AromaticContact CZ3-CE3 3.69Å; W68-W71 HydrophobicContact CZ3-CE3 3.69Å; W68-W71 AromaticContact CZ3-CZ3 3.82Å; W68-W71 HydrophobicContact CZ3-CZ3 3.82Å; W68-W71 PolarHBondContact O-N 3.4Å; W71-W74 PolarHBondContact O-N 3.08Å; W71-H75 AromaticContact CD1-CD2 3.73Å; W71-H75 AromaticContact CD1-NE2 3.88Å; W71-H75 AromaticContact CD2-CD2 3.58Å; W71-H75 AromaticContact CE2-CD2 3.09Å; W71-H75 AromaticContact CE2-NE2 3.34Å; W71-H75 VanDerWaalsContact CE2-NE2 3.34Å; W71-H75 AromaticContact CG-CD2 3.96Å; W71-H75 AromaticContact CH2-CD2 3.97Å; W71-H75 AromaticContact CZ2-CD2 3.33Å; W71-H75 WeakPolarHBondContact CZ2-CD2 3.09Å; W71-H75 AromaticContact CZ2-NE2 3.48Å; W71-H75 WeakPolarHBondContact CZ2-NE2 3.15Å; W71-H75 AromaticContact NE1-CD2 3.21Å; W71-H75 PolarHBondContact NE1-CD2 2.78Å; W71-H75 AromaticContact NE1-NE2 3.08Å; W71-H75 PolarHBondContact NE1-NE2 3.33Å; W71-H75 PolarHBondContact O-CD2 3.41Å; W71-H75 PolarHBondContact O-N 3.21Å |
| 72 | R | 92.5 | Very high | 89.8 | Confident | 107 Ų | 107 | 97 Ų | 97 | 40% | 0.404 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 177.7 | -176.7 | 63.8 | 179.4 | -171.2 | 4.4 | 111.4 | W68 W74 H75 D76 D79 | W68-R72 WeakPolarHBondContact O-CB 3.19Å; W68-R72 PolarHBondContact O-N 2.81Å; R72-W74 VanDerWaalsContact C-N 3.28Å; R72-W74 PolarHBondContact O-N 3.34Å; R72-H75 PolarHBondContact O-N 3.28Å; R72-D76 WeakPolarHBondContact CD-OD2 3.34Å; R72-D76 VanDerWaalsContact CZ-CG 3.43Å; R72-D76 IonicContact CZ-OD2 3.06Å; R72-D76 IonicContact NE-OD2 3.64Å; R72-D76 PolarHBondContact NE-OD2 3.41Å; R72-D76 IonicContact NH1-OD2 3.95Å; R72-D76 PolarHBondContact NH1-OD2 3.25Å; R72-D76 IonicContact NH2-OD2 3.26Å; R72-D76 CarbonylContact O-C 3.29Å; R72-D76 WeakPolarHBondContact O-CA 3.43Å; R72-D76 PolarHBondContact O-N 2.98Å; R72-D79 IonicContact CZ-OD2 2.85Å; R72-D79 IonicContact NE-OD2 2.65Å; R72-D79 IonicContact NH2-OD2 3.56Å; R72-D79 PolarHBondContact NH2-OD2 3.39Å |
| 73 | F | 91 | Very high | 89.1 | Confident | 102 Ų | 102 | 98.8 Ų | 98.8 | 45% | 0.447 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -34.1 | 175.4 | -177.3 | -102.1 | 0 | 0 | 0 | 112.4 | I69 L70 S77 V80 | I69-F73 WeakPolarHBondContact O-CB 3.13Å; I69-F73 PolarHBondContact O-N 3Å; L70-F73 PolarHBondContact O-N 3.33Å; F73-S77 WeakPolarHBondContact O-CA 3.47Å; F73-S77 WeakPolarHBondContact O-CB 3.39Å; F73-S77 PolarHBondContact O-N 2.93Å; F73-V80 HydrophobicContact CD2-CB 4.48Å; F73-V80 HydrophobicContact CD2-CG2 4.35Å; F73-V80 HydrophobicContact CE2-CB 4.33Å; F73-V80 HydrophobicContact CE2-CG1 4.31Å |
| 74 | W | 91.4 | Very high | 88.4 | Confident | 189 Ų | 189 | 105.5 Ų | 105.5 | 72% | 0.716 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.8 | -40.9 | 175 | -176.7 | 72 | 0 | 0 | 0 | 112.6 | L70 W71 R72 | L70-W74 WeakPolarHBondContact O-CB 3.46Å; L70-W74 PolarHBondContact O-N 3.43Å; W71-W74 PolarHBondContact O-N 3.08Å; R72-W74 VanDerWaalsContact C-N 3.28Å; R72-W74 PolarHBondContact O-N 3.34Å |
| 75 | H | 89.9 | Confident | 87.9 | Confident | 89 Ų | 89 | 106.2 Ų | 106.2 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -80.2 | -38.8 | -177.3 | -84.2 | -72.6 | 0 | 0 | 0 | 114.2 | W71 R72 | W71-H75 AromaticContact CD1-CD2 3.73Å; W71-H75 AromaticContact CD1-NE2 3.88Å; W71-H75 AromaticContact CD2-CD2 3.58Å; W71-H75 AromaticContact CE2-CD2 3.09Å; W71-H75 AromaticContact CE2-NE2 3.34Å; W71-H75 VanDerWaalsContact CE2-NE2 3.34Å; W71-H75 AromaticContact CG-CD2 3.96Å; W71-H75 AromaticContact CH2-CD2 3.97Å; W71-H75 AromaticContact CZ2-CD2 3.33Å; W71-H75 WeakPolarHBondContact CZ2-CD2 3.09Å; W71-H75 AromaticContact CZ2-NE2 3.48Å; W71-H75 WeakPolarHBondContact CZ2-NE2 3.15Å; W71-H75 AromaticContact NE1-CD2 3.21Å; W71-H75 PolarHBondContact NE1-CD2 2.78Å; W71-H75 AromaticContact NE1-NE2 3.08Å; W71-H75 PolarHBondContact NE1-NE2 3.33Å; W71-H75 PolarHBondContact O-CD2 3.41Å; W71-H75 PolarHBondContact O-N 3.21Å; R72-H75 PolarHBondContact O-N 3.28Å |
| 76 | D | 84.9 | Confident | 87.3 | Confident | 42 Ų | 42 | 111.6 Ų | 111.6 | 23% | 0.225 | 53% | 0.527 | C | S | . | . | trans | -128.9 | 55.9 | -173.4 | -56.2 | -66.8 | 0 | 0 | 0 | 109.3 | R72 E78 D79 | R72-D76 WeakPolarHBondContact CD-OD2 3.34Å; R72-D76 VanDerWaalsContact CZ-CG 3.43Å; R72-D76 IonicContact CZ-OD2 3.06Å; R72-D76 IonicContact NE-OD2 3.64Å; R72-D76 PolarHBondContact NE-OD2 3.41Å; R72-D76 IonicContact NH1-OD2 3.95Å; R72-D76 PolarHBondContact NH1-OD2 3.25Å; R72-D76 IonicContact NH2-OD2 3.26Å; R72-D76 CarbonylContact O-C 3.29Å; R72-D76 WeakPolarHBondContact O-CA 3.43Å; R72-D76 PolarHBondContact O-N 2.98Å; D76-E78 PolarHBondContact O-N 3.48Å; D76-D79 PolarHBondContact O-N 3.22Å | ||
| 77 | S | 81.9 | Confident | 86.8 | Confident | 50 Ų | 50 | 108 Ų | 108 | 35% | 0.35 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -22.7 | -179.4 | 60.1 | 0 | 0 | 0 | 0 | 113.2 | F73 D79 V80 L81 | F73-S77 WeakPolarHBondContact O-CA 3.47Å; F73-S77 WeakPolarHBondContact O-CB 3.39Å; F73-S77 PolarHBondContact O-N 2.93Å; S77-D79 VanDerWaalsContact C-N 3.34Å; S77-D79 PolarHBondContact O-N 3.23Å; S77-V80 PolarHBondContact O-N 3.29Å; S77-L81 WeakPolarHBondContact O-CB 3.33Å; S77-L81 PolarHBondContact O-N 3.47Å |
| 78 | E | 75.2 | Confident | 86.3 | Confident | 92 Ų | 92 | 105.7 Ų | 105.7 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -28.6 | 179 | 54.5 | -178.7 | 167.8 | 0 | 0 | 113.8 | D76 V80 G82 H83 | D76-E78 PolarHBondContact O-N 3.48Å; E78-V80 PolarHBondContact O-N 3.1Å; E78-G82 CarbonylContact O-C 3.57Å; E78-G82 VanDerWaalsContact O-C 3.29Å; E78-G82 WeakPolarHBondContact O-CA 3.21Å; E78-G82 PolarHBondContact O-N 2.97Å; E78-H83 VanDerWaalsContact CD-CD2 3.49Å; E78-H83 PolarHBondContact O-CE1 3.46Å; E78-H83 PolarHBondContact O-ND1 3.47Å; E78-H83 VanDerWaalsContact O-ND1 3.1Å; E78-H83 IonicContact OE2-CD2 3.79Å; E78-H83 PolarHBondContact OE2-CD2 2.95Å; E78-H83 VanDerWaalsContact OE2-CD2 3.28Å; E78-H83 IonicContact OE2-CG 3.98Å; E78-H83 IonicContact OE2-NE2 3.8Å |
| 79 | D | 76.6 | Confident | 85.7 | Confident | 92 Ų | 92 | 102.1 Ų | 102.1 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -27.8 | 173.5 | -79.3 | -24 | 0 | 0 | 0 | 111.9 | R72 D76 S77 H83 | R72-D79 IonicContact CZ-OD2 2.85Å; R72-D79 IonicContact NE-OD2 2.65Å; R72-D79 IonicContact NH2-OD2 3.56Å; R72-D79 PolarHBondContact NH2-OD2 3.39Å; D76-D79 PolarHBondContact O-N 3.22Å; S77-D79 VanDerWaalsContact C-N 3.34Å; S77-D79 PolarHBondContact O-N 3.23Å; D79-H83 IonicContact OD1-CE1 3.28Å; D79-H83 PolarHBondContact OD1-CE1 3.49Å; D79-H83 VanDerWaalsContact OD1-CE1 3.26Å; D79-H83 IonicContact OD1-NE2 2.97Å |
| 80 | V | 78.3 | Confident | 85.1 | Confident | 106 Ų | 106 | 107.4 Ų | 107.4 | 64% | 0.642 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -103.6 | -41.7 | -177.7 | -179 | 0 | 0 | 0 | 0 | 111.9 | F73 S77 E78 | F73-V80 HydrophobicContact CD2-CB 4.48Å; F73-V80 HydrophobicContact CD2-CG2 4.35Å; F73-V80 HydrophobicContact CE2-CB 4.33Å; F73-V80 HydrophobicContact CE2-CG1 4.31Å; S77-V80 PolarHBondContact O-N 3.29Å; E78-V80 PolarHBondContact O-N 3.1Å |
| 81 | L | 80.4 | Confident | 84.7 | Confident | 131 Ų | 131 | 109.4 Ų | 109.4 | 69% | 0.686 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -87 | -10.1 | -175 | -63.3 | 174.6 | 0 | 0 | 0 | 113.5 | S77 | S77-L81 WeakPolarHBondContact O-CB 3.33Å; S77-L81 PolarHBondContact O-N 3.47Å |
| 82 | G | 83.3 | Confident | 84.1 | Confident | 45 Ų | 45 | 111.5 Ų | 111.5 | 46% | 0.464 | 55% | 0.545 | S | S | . | . | trans | 94.7 | 135.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111 | E78 | E78-G82 CarbonylContact O-C 3.57Å; E78-G82 VanDerWaalsContact O-C 3.29Å; E78-G82 WeakPolarHBondContact O-CA 3.21Å; E78-G82 PolarHBondContact O-N 2.97Å | ||
| 83 | H | 82.1 | Confident | 83.7 | Confident | 97 Ų | 97 | 109.9 Ų | 109.9 | 45% | 0.449 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -78.6 | -27.7 | -178.9 | -68.3 | 67.8 | 0 | 0 | 0 | 112.4 | E78 D79 | E78-H83 VanDerWaalsContact CD-CD2 3.49Å; E78-H83 PolarHBondContact O-CE1 3.46Å; E78-H83 PolarHBondContact O-ND1 3.47Å; E78-H83 VanDerWaalsContact O-ND1 3.1Å; E78-H83 IonicContact OE2-CD2 3.79Å; E78-H83 PolarHBondContact OE2-CD2 2.95Å; E78-H83 VanDerWaalsContact OE2-CD2 3.28Å; E78-H83 IonicContact OE2-CG 3.98Å; E78-H83 IonicContact OE2-NE2 3.8Å; D79-H83 IonicContact OD1-CE1 3.28Å; D79-H83 PolarHBondContact OD1-CE1 3.49Å; D79-H83 VanDerWaalsContact OD1-CE1 3.26Å; D79-H83 IonicContact OD1-NE2 2.97Å |
| 84 | F | 83.7 | Confident | 83.4 | Confident | 182 Ų | 182 | 109.8 Ų | 109.8 | 80% | 0.798 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -120 | 139.1 | -174.2 | -62.8 | -76.9 | 0 | 0 | 0 | 110.8 | Y86 | F84-Y86 PolarHBondContact O-N 3.41Š|
| 85 | P | 86.5 | Confident | 82.8 | Confident | 118 Ų | 118 | 109.6 Ų | 109.6 | 77% | 0.766 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 136.9 | 172.7 | 28.3 | -33.5 | 0 | 0 | 0 | 109.3 | P87 | P85-P87 WeakPolarHBondContact O-CD 3.49Š|
| 86 | Y | 84.5 | Confident | 82.5 | Confident | 205 Ų | 205 | 112.4 Ų | 112.4 | 80% | 0.804 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -72 | 122.3 | 175.1 | -170 | -97.6 | 0 | 0 | 0 | 109.1 | F84 | F84-Y86 PolarHBondContact O-N 3.41Š|
| 87 | P | 85.6 | Confident | 82.4 | Confident | 70 Ų | 70 | 115.1 Ų | 115.1 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -68.5 | 138.5 | -179.6 | 27.8 | -33 | 0 | 0 | 0 | 110.4 | P85 P89 W92 | P85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-P89 WeakPolarHBondContact O-CD 3.38Å; P87-W92 HydrophobicContact CB-CZ2 4.42Å; P87-W92 HydrophobicContact CG-CZ2 4.32Å |
| 88 | D | 87.1 | Confident | 82.5 | Confident | 77 Ų | 77 | 115.6 Ų | 115.6 | 41% | 0.412 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -78.9 | 117.3 | 174.1 | -175.5 | 8.1 | 0 | 0 | 0 | 109.6 | F90 Q91 | D88-F90 PolarHBondContact O-N 2.92Å; D88-F90 VanDerWaalsContact O-N 3.16Å; D88-F90 PolarHBondContact OD1-N 3.4Å; D88-Q91 HydrophobicContact CB-CG 4.11Å; D88-Q91 PolarHBondContact O-N 3.44Å; D88-Q91 VanDerWaalsContact O-N 3.09Å |
| 89 | P | 83.4 | Confident | 83 | Confident | 66 Ų | 66 | 115.3 Ų | 115.3 | 43% | 0.429 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -60.6 | -26 | -176.2 | -23.9 | 34.6 | 0 | 0 | 0 | 114.1 | P87 Q91 W92 | P87-P89 WeakPolarHBondContact O-CD 3.38Å; P89-Q91 VanDerWaalsContact C-N 3.28Å; P89-Q91 PolarHBondContact O-N 3.04Å; P89-W92 PolarHBondContact O-N 3.44Å |
| 90 | F | 79.5 | Confident | 83.2 | Confident | 192 Ų | 192 | 115.3 Ų | 115.3 | 84% | 0.842 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -78.2 | -10.5 | -179.9 | -66.8 | -76 | 0 | 0 | 0 | 113.8 | D88 W92 | D88-F90 PolarHBondContact O-N 2.92Å; D88-F90 VanDerWaalsContact O-N 3.16Å; D88-F90 PolarHBondContact OD1-N 3.4Å; F90-W92 VanDerWaalsContact C-N 3.34Å |
| 91 | Q | 84.7 | Confident | 83.4 | Confident | 153 Ų | 153 | 115.6 Ų | 115.6 | 72% | 0.715 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -84.7 | -10.3 | 173.8 | -68.6 | -166.9 | -12.4 | 0 | 0 | 113 | D88 P89 T93 | D88-Q91 HydrophobicContact CB-CG 4.11Å; D88-Q91 PolarHBondContact O-N 3.44Å; D88-Q91 VanDerWaalsContact O-N 3.09Å; P89-Q91 VanDerWaalsContact C-N 3.28Å; P89-Q91 PolarHBondContact O-N 3.04Å; Q91-T93 PolarHBondContact O-N 3.46Å |
| 92 | W | 84.4 | Confident | 83.4 | Confident | 136 Ų | 136 | 116.8 Ų | 116.8 | 52% | 0.515 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -72.6 | 126.5 | 174 | -65.1 | -18.7 | 0 | 0 | 0 | 109.9 | P87 P89 F90 | P87-W92 HydrophobicContact CB-CZ2 4.42Å; P87-W92 HydrophobicContact CG-CZ2 4.32Å; P89-W92 PolarHBondContact O-N 3.44Å; F90-W92 VanDerWaalsContact C-N 3.34Å |
| 93 | T | 83.9 | Confident | 82.6 | Confident | 73 Ų | 73 | 121.9 Ų | 121.9 | 45% | 0.448 | 63% | 0.632 | S | S | . | * | trans | -74.8 | 146.5 | 179.6 | 61.1 | 0 | 0 | 0 | 0 | 110.8 | Q91 E95 E96 L97 | Q91-T93 PolarHBondContact O-N 3.46Å; T93-E95 PolarHBondContact O-N 3.42Å; T93-E95 VanDerWaalsContact O-N 3.14Å; T93-E96 PolarHBondContact O-N 3.49Å; T93-E96 WeakPolarHBondContact OG1-CG 3.31Å; T93-E96 PolarHBondContact OG1-N 3.09Å; T93-L97 PolarHBondContact O-N 3Å | ||
| 94 | D | 84 | Confident | 81.6 | Confident | 101 Ų | 101 | 126 Ų | 126 | 54% | 0.54 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -59 | -26.8 | 178.4 | -65.1 | -35.1 | 0 | 0 | 0 | 112.5 | L97 G98 I99 | D94-L97 CarbonylContact O-C 3.56Å; D94-L97 PolarHBondContact O-N 3.14Å; D94-G98 PolarHBondContact O-N 3.46Å; D94-I99 HydrophobicContact CB-CB 4.17Å; D94-I99 PolarHBondContact O-N 3.16Å |
| 95 | E | 78.8 | Confident | 80.4 | Confident | 184 Ų | 184 | 129 Ų | 129 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -65.6 | -43 | 172.7 | -173.6 | 177.7 | -178.2 | 0 | 0 | 112.5 | T93 L97 G98 | T93-E95 PolarHBondContact O-N 3.42Å; T93-E95 VanDerWaalsContact O-N 3.14Å; E95-L97 VanDerWaalsContact C-N 3.32Å; E95-G98 PolarHBondContact O-N 3.44Å |
| 96 | E | 83.1 | Confident | 80.1 | Confident | 148 Ų | 148 | 129.6 Ų | 129.6 | 69% | 0.692 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.8 | -30.8 | 175.2 | -71.8 | 177.1 | 166.8 | 0 | 0 | 112 | T93 G98 | T93-E96 PolarHBondContact O-N 3.49Å; T93-E96 WeakPolarHBondContact OG1-CG 3.31Å; T93-E96 PolarHBondContact OG1-N 3.09Å; E96-G98 VanDerWaalsContact C-N 3.31Å |
| 97 | L | 83.9 | Confident | 79.9 | Confident | 100 Ų | 100 | 125.6 Ų | 125.6 | 52% | 0.524 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -85.2 | -7.4 | 179.2 | -160.9 | 55.5 | 0 | 0 | 0 | 112.8 | T93 D94 E95 I99 | T93-L97 PolarHBondContact O-N 3Å; D94-L97 CarbonylContact O-C 3.56Å; D94-L97 PolarHBondContact O-N 3.14Å; E95-L97 VanDerWaalsContact C-N 3.32Å; L97-I99 VanDerWaalsContact C-N 3.27Å; L97-I99 HydrophobicContact CB-CD1 4.3Å; L97-I99 HydrophobicContact CB-CG1 4.14Å; L97-I99 HydrophobicContact CD2-CD1 3.52Å; L97-I99 HydrophobicContact CD2-CG1 4.2Å; L97-I99 HydrophobicContact CG-CD1 3.9Å; L97-I99 HydrophobicContact CG-CG1 4.01Å; L97-I99 PolarHBondContact O-N 2.91Å |
| 98 | G | 84.1 | Confident | 79.6 | Confident | 60 Ų | 60 | 128.7 Ų | 128.7 | 62% | 0.619 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.1 | 27.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D94 E95 E96 P100 | D94-G98 PolarHBondContact O-N 3.46Å; E95-G98 PolarHBondContact O-N 3.44Å; E96-G98 VanDerWaalsContact C-N 3.31Å; G98-P100 VanDerWaalsContact O-CD 3.31Å; G98-P100 WeakPolarHBondContact O-CD 3.36Å |
| 99 | I | 84.6 | Confident | 79.1 | Confident | 86 Ų | 86 | 131.8 Ų | 131.8 | 44% | 0.441 | 69% | 0.692 | S | S | . | * | trans | -86.5 | 110.9 | 176.7 | -58.4 | -179.2 | 0 | 0 | 0 | 107.4 | D94 L97 | D94-I99 HydrophobicContact CB-CB 4.17Å; D94-I99 PolarHBondContact O-N 3.16Å; L97-I99 VanDerWaalsContact C-N 3.27Å; L97-I99 HydrophobicContact CB-CD1 4.3Å; L97-I99 HydrophobicContact CB-CG1 4.14Å; L97-I99 HydrophobicContact CD2-CD1 3.52Å; L97-I99 HydrophobicContact CD2-CG1 4.2Å; L97-I99 HydrophobicContact CG-CD1 3.9Å; L97-I99 HydrophobicContact CG-CG1 4.01Å; L97-I99 PolarHBondContact O-N 2.91Å | ||
| 100 | P | 81.9 | Confident | 78.9 | Confident | 91 Ų | 91 | 135.9 Ų | 135.9 | 59% | 0.591 | 71% | 0.708 | S | S | * | * | trans | -67.5 | 142 | 177.8 | 27.2 | -31.3 | 0 | 0 | 0 | 110.1 | G98 | G98-P100 VanDerWaalsContact O-CD 3.31Å; G98-P100 WeakPolarHBondContact O-CD 3.36Å | ||
| 101 | P | 82.4 | Confident | 78.8 | Confident | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | trans | -66.4 | 133.3 | 171.1 | 27.7 | -32.4 | 0 | 0 | 0 | 109.4 | D103 | P101-D103 PolarHBondContact O-N 2.99Å; P101-D103 VanDerWaalsContact O-N 3.09Å | ||
| 102 | D | 79.6 | Confident | 78.4 | Confident | 156 Ų | 156 | 130.6 Ų | 130.6 | 83% | 0.834 | 70% | 0.698 | S | S | * | * | trans | -73.3 | 6.8 | -178 | -74.7 | -27.1 | 0 | 0 | 0 | 113.7 | E104 | D102-E104 VanDerWaalsContact C-N 3.33Å; D102-E104 PolarHBondContact O-N 3.09Å | ||
| 103 | D | 67.1 | Low | 77.9 | Confident | 152 Ų | 152 | 130.2 Ų | 130.2 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | trans | -84.1 | 69 | -174.9 | -60.2 | -25.8 | 0 | 0 | 0 | 112.2 | P101 | P101-D103 PolarHBondContact O-N 2.99Å; P101-D103 VanDerWaalsContact O-N 3.09Å | ||
| 104 | E | 61.2 | Low | 77.4 | Confident | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -124.4 | 83.2 | 156 | -78.2 | -171.4 | 172.2 | 0 | 0 | 109.1 | D102 | D102-E104 VanDerWaalsContact C-N 3.33Å; D102-E104 PolarHBondContact O-N 3.09Å | ||
| 105 | D | 58.6 | Low | 76.8 | Confident | 246 Ų | 246 | 138.1 Ų | 138.1 | 100% | 1.316 | 75% | 0.752 | S | S | * | * | trans | -160.4 | 0 | 157.6 | -91.2 | -31.3 | 0 | 0 | 0 | 111.8 |
Retrieved 105 of 105 residues in 26.3 ms
(Link to these results)