| 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 | 38.2 | Very low | 37.6 | Very low | 244 Ų | 244 | 143.6 Ų | 143.6 | 100% | 1.202 | 87% | 0.871 | S | S | * | * | 0 | 102.9 | 0 | -77.3 | 177.3 | 169.7 | 0 | 0 | 108.3 | |||||
| 2 | V | 41.2 | Very low | 38 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 93% | 0.927 | 86% | 0.861 | S | S | * | * | trans | -147.4 | 124.8 | 157.5 | 177 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 3 | A | 38.7 | Very low | 37.8 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 83% | 0.826 | 86% | 0.856 | S | S | * | * | trans | -93.1 | 138.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | T | 39.9 | Very low | 37.7 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 88% | 0.877 | 85% | 0.85 | S | S | * | * | trans | -94.2 | 114.2 | 170.6 | 50.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 5 | G | 40.3 | Very low | 37.8 | Very low | 82 Ų | 82 | 137.5 Ų | 137.5 | 85% | 0.845 | 85% | 0.848 | S | S | * | * | trans | -93.2 | 126.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 6 | S | 31.7 | Very low | 38.1 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | trans | -79.2 | 146.7 | 179.6 | -71.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 7 | L | 32.5 | Very low | 38.2 | Very low | 173 Ų | 173 | 138.6 Ų | 138.6 | 91% | 0.906 | 84% | 0.843 | S | S | * | * | trans | 4.8 | 131.6 | 143.2 | -70.6 | 152.3 | 0 | 0 | 0 | 120.4 | ||||
| 8 | S | 35.5 | Very low | 38.3 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | trans | -149.7 | 109.1 | 146.1 | -176.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 9 | S | 35.1 | Very low | 38.2 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 83% | 0.832 | S | S | * | * | 61.2 | 101.4 | 74.5 | 175.6 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 10 | K | 41.5 | Very low | 38.2 | Very low | 204 Ų | 204 | 140 Ų | 140 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -160.7 | 86.4 | 152.5 | -106.9 | 176 | 179 | 175.9 | 0 | 106.9 | ||||
| 11 | N | 39.2 | Very low | 38 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | 83.9 | 144.3 | 99.3 | -107.1 | 5.8 | 0 | 0 | 0 | 115.1 | |||||
| 12 | P | 42.1 | Very low | 37.8 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | trans | -112.3 | 145.8 | -145.3 | 38.4 | -26.7 | 0 | 0 | 0 | 113.3 | ||||
| 13 | A | 36.3 | Very low | 37.6 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -140.3 | 108.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 14 | S | 36.2 | Very low | 37.5 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 65 | 75 | 148.7 | -52.5 | 0 | 0 | 0 | 0 | 118.6 | S16 | S14-S16 PolarHBondContact O-N 3.44Å; S14-S16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | I | 39 | Very low | 37.8 | Very low | 159 Ų | 159 | 133 Ų | 133 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 63.2 | 163.1 | -49.7 | 174.6 | 0 | 0 | 0 | 109.6 | ||
| 16 | S | 42.7 | Very low | 37.8 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | -2.7 | 175.2 | -62.4 | 0 | 0 | 0 | 0 | 114.8 | S14 | S14-S16 PolarHBondContact O-N 3.44Å; S14-S16 VanDerWaalsContact O-N 3.1Å |
| 17 | E | 39.8 | Very low | 38.4 | Very low | 189 Ų | 189 | 136.5 Ų | 136.5 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -116.2 | 3.7 | -175.7 | -67.6 | -172.4 | 170.5 | 0 | 0 | 115.3 | ||
| 18 | L | 40.3 | Very low | 39.1 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 65% | 0.654 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -109.6 | 12.4 | 178.2 | -79.2 | 167.9 | 0 | 0 | 0 | 114.8 | ||
| 19 | L | 36.5 | Very low | 39.6 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -92.7 | 13.2 | 179.5 | -79.7 | 169.3 | 0 | 0 | 0 | 115.4 | ||
| 20 | D | 38.3 | Very low | 40.2 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -121 | 26.6 | 178.6 | -151.1 | 22.9 | 0 | 0 | 0 | 115.5 | ||
| 21 | C | 33.1 | Very low | 40.6 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -138.5 | 113.5 | 163.7 | -150.7 | 0 | 0 | 0 | 0 | 109.6 | Y23 | C21-Y23 WeakPolarHBondContact O-CD2 3.38Å; C21-Y23 PolarHBondContact O-N 3.03Å; C21-Y23 VanDerWaalsContact O-N 3.07Å |
| 22 | G | 35 | Very low | 40.9 | Very low | 77 Ų | 77 | 134.1 Ų | 134.1 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | -48.5 | 110.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | H24 | G22-H24 PolarHBondContact O-N 3.12Š| ||
| 23 | Y | 35.7 | Very low | 41.4 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | trans | -75.1 | 101.4 | 170.3 | -78.1 | -91.3 | 0 | 0 | 0 | 109.3 | C21 P25 | C21-Y23 WeakPolarHBondContact O-CD2 3.38Å; C21-Y23 PolarHBondContact O-N 3.03Å; C21-Y23 VanDerWaalsContact O-N 3.07Å; Y23-P25 WeakPolarHBondContact O-CD 3.26Å | ||
| 24 | H | 36.3 | Very low | 42.5 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 70% | 0.704 | 75% | 0.753 | S | S | * | * | trans | -71 | 120 | 163.7 | -108.7 | -89.2 | 0 | 0 | 0 | 109 | G22 E26 | G22-H24 PolarHBondContact O-N 3.12Å; H24-E26 PolarHBondContact O-N 2.99Å; H24-E26 VanDerWaalsContact O-N 3.08Å | ||
| 25 | P | 47.5 | Very low | 43.4 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 12 | -175.6 | -13.6 | 29.5 | 0 | 0 | 0 | 115.5 | Y23 | Y23-P25 WeakPolarHBondContact O-CD 3.26Š|
| 26 | E | 39.9 | Very low | 44.2 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 3.3 | -168.3 | -70 | -168.9 | 152.7 | 0 | 0 | 115.4 | H24 | H24-E26 PolarHBondContact O-N 2.99Å; H24-E26 VanDerWaalsContact O-N 3.08Å |
| 27 | S | 43.7 | Very low | 45 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -99.7 | 3.9 | -173.7 | 59.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 28 | L | 48.4 | Very low | 46.4 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -104.5 | -1 | -179.1 | -118.8 | 178.4 | 0 | 0 | 0 | 115.4 | ||
| 29 | L | 44.7 | Very low | 47.7 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -98.1 | -0.3 | -179.5 | -67 | 178.9 | 0 | 0 | 0 | 114.3 | ||
| 30 | S | 47.7 | Very low | 49.2 | Very low | 89 Ų | 89 | 139 Ų | 139 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -89.6 | -11.9 | -175.7 | -172.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 31 | D | 51.2 | Low | 50.7 | Low | 139 Ų | 139 | 139.8 Ų | 139.8 | 74% | 0.743 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 6.6 | -173.6 | -74.3 | -8.5 | 0 | 0 | 0 | 113.8 | ||
| 32 | F | 45.4 | Very low | 52.3 | Low | 161 Ų | 161 | 139.2 Ų | 139.2 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 11.3 | -178.7 | -102.3 | -88.3 | 0 | 0 | 0 | 115.6 | Y34 | F32-Y34 PolarHBondContact O-N 3.02Š|
| 33 | D | 51.9 | Low | 54.3 | Low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -77.8 | 11.8 | 171.1 | -75 | -14.9 | 0 | 0 | 0 | 113.5 | W35 | D33-W35 PolarHBondContact O-N 2.75Š|
| 34 | Y | 58.4 | Low | 56.4 | Low | 154 Ų | 154 | 137.1 Ų | 137.1 | 60% | 0.604 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -72.1 | -9.7 | -179 | -172.6 | -109.6 | 0 | 0 | 0 | 114.5 | F32 | F32-Y34 PolarHBondContact O-N 3.02Š|
| 35 | W | 55.1 | Low | 58.5 | Low | 177 Ų | 177 | 135.8 Ų | 135.8 | 67% | 0.67 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -104.8 | 9.4 | -167.9 | -64.8 | 102.5 | 0 | 0 | 0 | 116.8 | D33 Y37 | D33-W35 PolarHBondContact O-N 2.75Å; W35-Y37 PolarHBondContact O-N 3.01Å |
| 36 | D | 57.6 | Low | 60 | Low | 151 Ų | 151 | 135.9 Ų | 135.9 | 81% | 0.807 | 70% | 0.7 | S | S | * | * | trans | -75.6 | 49.1 | 164.6 | -82.5 | -5.2 | 0 | 0 | 0 | 111.3 | V38 | D36-V38 PolarHBondContact O-N 3.26Š| ||
| 37 | Y | 58.4 | Low | 61.8 | Low | 182 Ų | 182 | 131.9 Ų | 131.9 | 71% | 0.714 | 69% | 0.687 | S | S | * | * | trans | -68.4 | 76.3 | 161.8 | -110.4 | -85.8 | 0 | 0 | 0 | 107.7 | W35 V39 | W35-Y37 PolarHBondContact O-N 3.01Å; Y37-V39 PolarHBondContact O-N 3.13Å | ||
| 38 | V | 69.1 | Low | 63.7 | Low | 112 Ų | 112 | 132.5 Ų | 132.5 | 68% | 0.679 | 68% | 0.681 | S | S | * | * | trans | -62.1 | 107.9 | 169.3 | -179.3 | 0 | 0 | 0 | 0 | 105.9 | D36 P40 | D36-V38 PolarHBondContact O-N 3.26Å; V38-P40 WeakPolarHBondContact O-CD 3.27Å | ||
| 39 | V | 67.7 | Low | 65.5 | Low | 126 Ų | 126 | 132.4 Ų | 132.4 | 76% | 0.764 | 67% | 0.674 | S | S | * | * | trans | -52.8 | 114.5 | 167 | 177.4 | 0 | 0 | 0 | 0 | 105.6 | Y37 E41 | Y37-V39 PolarHBondContact O-N 3.13Å; V39-E41 PolarHBondContact O-N 2.86Å | ||
| 40 | P | 68.6 | Low | 67.6 | Low | 109 Ų | 109 | 130.2 Ų | 130.2 | 71% | 0.708 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 123.5 | -179.6 | -24.5 | 34.3 | 0 | 0 | 0 | 107.9 | V38 | V38-P40 WeakPolarHBondContact O-CD 3.27Š|
| 41 | E | 68.8 | Low | 69.7 | Low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 130.5 | 172.1 | -69.7 | -171.7 | 163.4 | 0 | 0 | 107.4 | V39 N43 | V39-E41 PolarHBondContact O-N 2.86Å; E41-N43 PolarHBondContact O-N 2.78Å; E41-N43 VanDerWaalsContact O-N 3.08Å |
| 42 | P | 67.9 | Low | 71.8 | Confident | 93 Ų | 93 | 126.2 Ų | 126.2 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -57 | 124.7 | 178.9 | 23.7 | -32.3 | 0 | 0 | 0 | 107.7 | L44 | P42-L44 VanDerWaalsContact C-N 3.3Å; P42-L44 PolarHBondContact O-N 2.96Å |
| 43 | N | 76.2 | Confident | 74.1 | Confident | 86 Ų | 86 | 119.7 Ų | 119.7 | 46% | 0.46 | 61% | 0.606 | S | S | . | * | trans | -64.3 | 96.7 | 175.9 | -176.2 | -18.1 | 0 | 0 | 0 | 107.9 | E41 N45 E46 V47 | E41-N43 PolarHBondContact O-N 2.78Å; E41-N43 VanDerWaalsContact O-N 3.08Å; N43-N45 PolarHBondContact O-N 2.95Å; N43-N45 VanDerWaalsContact O-N 3.09Å; N43-N45 WeakPolarHBondContact OD1-CB 3.32Å; N43-N45 PolarHBondContact OD1-N 3.49Å; N43-E46 HydrophobicContact CB-CB 3.92Å; N43-E46 WeakPolarHBondContact O-CA 3.36Å; N43-E46 WeakPolarHBondContact O-CB 3.33Å; N43-E46 PolarHBondContact O-N 3.31Å; N43-E46 PolarHBondContact OD1-N 2.86Å; N43-V47 PolarHBondContact O-N 2.89Å; N43-V47 VanDerWaalsContact O-N 3.1Å | ||
| 44 | L | 80.6 | Confident | 76.3 | Confident | 120 Ų | 120 | 112.8 Ų | 112.8 | 63% | 0.628 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -55.1 | -32.8 | -175.8 | -68.3 | 173.5 | 0 | 0 | 0 | 111.6 | P42 E46 V47 I48 | P42-L44 VanDerWaalsContact C-N 3.3Å; P42-L44 PolarHBondContact O-N 2.96Å; L44-E46 VanDerWaalsContact C-N 3.35Å; L44-V47 PolarHBondContact O-N 2.81Å; L44-I48 WeakPolarHBondContact O-CB 3.38Å; L44-I48 WeakPolarHBondContact O-CD1 3.37Å; L44-I48 WeakPolarHBondContact O-CG1 3.18Å; L44-I48 PolarHBondContact O-N 3.23Å |
| 45 | N | 80.1 | Confident | 78.1 | Confident | 125 Ų | 125 | 109 Ų | 109 | 67% | 0.668 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.4 | -38.9 | 177.2 | -61.3 | -40.9 | 0 | 0 | 0 | 111.8 | N43 F49 | N43-N45 PolarHBondContact O-N 2.95Å; N43-N45 VanDerWaalsContact O-N 3.09Å; N43-N45 WeakPolarHBondContact OD1-CB 3.32Å; N43-N45 PolarHBondContact OD1-N 3.49Å; N45-F49 WeakPolarHBondContact O-CB 3.39Å; N45-F49 PolarHBondContact O-N 3.15Å |
| 46 | E | 77.8 | Confident | 80.1 | Confident | 127 Ų | 127 | 104.7 Ų | 104.7 | 59% | 0.593 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -66.5 | -44.7 | 176.8 | -170.6 | 171.9 | -171.3 | 0 | 0 | 110.9 | N43 L44 I48 F49 E50 | N43-E46 HydrophobicContact CB-CB 3.92Å; N43-E46 WeakPolarHBondContact O-CA 3.36Å; N43-E46 WeakPolarHBondContact O-CB 3.33Å; N43-E46 PolarHBondContact O-N 3.31Å; N43-E46 PolarHBondContact OD1-N 2.86Å; L44-E46 VanDerWaalsContact C-N 3.35Å; E46-I48 PolarHBondContact O-N 2.79Å; E46-F49 PolarHBondContact O-N 3Å; E46-E50 WeakPolarHBondContact O-CB 3.47Å; E46-E50 PolarHBondContact O-N 3.35Å |
| 47 | V | 78.6 | Confident | 82 | Confident | 82 Ų | 82 | 97.7 Ų | 97.7 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.9 | 179.6 | 0 | 0 | 0 | 0 | 111.6 | N43 L44 F49 E50 E51 | N43-V47 PolarHBondContact O-N 2.89Å; N43-V47 VanDerWaalsContact O-N 3.1Å; L44-V47 PolarHBondContact O-N 2.81Å; V47-F49 VanDerWaalsContact C-N 3.33Å; V47-F49 PolarHBondContact O-N 2.94Å; V47-E50 PolarHBondContact O-N 3.21Å; V47-E51 PolarHBondContact O-N 3.03Å |
| 48 | I | 83.1 | Confident | 83.9 | Confident | 115 Ų | 115 | 89.6 Ų | 89.6 | 59% | 0.59 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 177.3 | -68.7 | 165 | 0 | 0 | 0 | 110.6 | L44 E46 S52 | L44-I48 WeakPolarHBondContact O-CB 3.38Å; L44-I48 WeakPolarHBondContact O-CD1 3.37Å; L44-I48 WeakPolarHBondContact O-CG1 3.18Å; L44-I48 PolarHBondContact O-N 3.23Å; E46-I48 PolarHBondContact O-N 2.79Å; I48-S52 WeakPolarHBondContact O-CB 3.43Å; I48-S52 PolarHBondContact O-N 2.81Å; I48-S52 PolarHBondContact O-OG 2.85Å |
| 49 | F | 86.2 | Confident | 85.3 | Confident | 144 Ų | 144 | 90.4 Ų | 90.4 | 63% | 0.632 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.9 | -44.8 | 179.1 | -176.7 | -99.1 | 0 | 0 | 0 | 111.7 | N45 E46 V47 S52 T53 | N45-F49 WeakPolarHBondContact O-CB 3.39Å; N45-F49 PolarHBondContact O-N 3.15Å; E46-F49 PolarHBondContact O-N 3Å; V47-F49 VanDerWaalsContact C-N 3.33Å; V47-F49 PolarHBondContact O-N 2.94Å; F49-S52 PolarHBondContact O-N 2.97Å; F49-S52 PolarHBondContact O-OG 2.96Å; F49-T53 WeakPolarHBondContact O-CB 3.26Å; F49-T53 PolarHBondContact O-N 3.02Å; F49-T53 PolarHBondContact O-OG1 2.92Å |
| 50 | E | 88.5 | Confident | 86.7 | Confident | 114 Ų | 114 | 87.5 Ų | 87.5 | 53% | 0.533 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 177.2 | -171.4 | 173.2 | -169.7 | 0 | 0 | 111.9 | E46 V47 S52 T53 C54 L93 | E46-E50 WeakPolarHBondContact O-CB 3.47Å; E46-E50 PolarHBondContact O-N 3.35Å; V47-E50 PolarHBondContact O-N 3.21Å; E50-S52 PolarHBondContact O-N 3.47Å; E50-T53 PolarHBondContact O-N 2.94Å; E50-C54 WeakPolarHBondContact O-CB 3.45Å; E50-C54 PolarHBondContact O-N 3.49Å; E50-L93 HydrophobicContact CG-CD1 4.2Å |
| 51 | E | 92.5 | Very high | 88.1 | Confident | 94 Ų | 94 | 82.3 Ų | 82.3 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 178.1 | -178.1 | 57.2 | -147.1 | 0 | 0 | 111.3 | V47 T53 C54 Q55 | V47-E51 PolarHBondContact O-N 3.03Å; E51-T53 VanDerWaalsContact C-N 3.28Å; E51-T53 PolarHBondContact O-N 2.83Å; E51-C54 WeakPolarHBondContact O-CB 3.31Å; E51-C54 PolarHBondContact O-N 2.92Å; E51-Q55 WeakPolarHBondContact O-CG 3.29Å; E51-Q55 PolarHBondContact O-N 3.47Å; E51-Q55 PolarHBondContact OE1-NE2 3.45Å |
| 52 | S | 94.9 | Very high | 89.4 | Confident | 51 Ų | 51 | 78.3 Ų | 78.3 | 36% | 0.357 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 177.7 | 75.9 | 0 | 0 | 0 | 0 | 112.4 | I48 F49 E50 Q55 N56 | I48-S52 WeakPolarHBondContact O-CB 3.43Å; I48-S52 PolarHBondContact O-N 2.81Å; I48-S52 PolarHBondContact O-OG 2.85Å; F49-S52 PolarHBondContact O-N 2.97Å; F49-S52 PolarHBondContact O-OG 2.96Å; E50-S52 PolarHBondContact O-N 3.47Å; S52-Q55 PolarHBondContact O-N 2.93Å; S52-N56 VanDerWaalsContact O-CG 3.22Å; S52-N56 PolarHBondContact O-N 3.23Å; S52-N56 PolarHBondContact O-ND2 3.06Å |
| 53 | T | 95.1 | Very high | 90.8 | Very high | 24 Ų | 24 | 77.5 Ų | 77.5 | 15% | 0.147 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -69.4 | -41.3 | 177 | -54.4 | 0 | 0 | 0 | 0 | 110.8 | F49 E50 E51 Q55 N56 L57 L93 L103 | F49-T53 WeakPolarHBondContact O-CB 3.26Å; F49-T53 PolarHBondContact O-N 3.02Å; F49-T53 PolarHBondContact O-OG1 2.92Å; E50-T53 PolarHBondContact O-N 2.94Å; E51-T53 VanDerWaalsContact C-N 3.28Å; E51-T53 PolarHBondContact O-N 2.83Å; T53-Q55 PolarHBondContact O-N 2.8Å; T53-N56 PolarHBondContact O-N 3.48Å; T53-L57 PolarHBondContact O-N 3.47Å; T53-L93 HydrophobicContact CG2-CD2 3.69Å; T53-L103 HydrophobicContact CG2-CD2 3.5Å; T53-L103 VanDerWaalsContact CG2-CD2 3.5Å |
| 54 | C | 96.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.02 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.6 | -48 | 174.7 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | E50 E51 N56 L57 V58 L93 | E50-C54 WeakPolarHBondContact O-CB 3.45Å; E50-C54 PolarHBondContact O-N 3.49Å; E51-C54 WeakPolarHBondContact O-CB 3.31Å; E51-C54 PolarHBondContact O-N 2.92Å; C54-N56 VanDerWaalsContact C-N 3.32Å; C54-N56 PolarHBondContact O-N 2.89Å; C54-L57 WeakPolarHBondContact O-CB 3.31Å; C54-L57 PolarHBondContact O-N 2.92Å; C54-V58 WeakPolarHBondContact O-CG2 3.43Å; C54-V58 PolarHBondContact O-N 2.83Å; C54-L93 HydrophobicContact CB-CD1 3.68Å |
| 55 | Q | 97.2 | Very high | 92.6 | Very high | 73 Ų | 73 | 68 Ų | 68 | 34% | 0.341 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 177.8 | -67.2 | -59.8 | -25.7 | 0 | 0 | 112.9 | E51 S52 T53 V58 K59 | E51-Q55 WeakPolarHBondContact O-CG 3.29Å; E51-Q55 PolarHBondContact O-N 3.47Å; E51-Q55 PolarHBondContact OE1-NE2 3.45Å; S52-Q55 PolarHBondContact O-N 2.93Å; T53-Q55 PolarHBondContact O-N 2.8Å; Q55-V58 PolarHBondContact O-N 2.87Å; Q55-K59 WeakPolarHBondContact O-CG 3.4Å; Q55-K59 PolarHBondContact O-N 3.41Å; Q55-K59 VanDerWaalsContact O-N 3.09Å |
| 56 | N | 97 | Very high | 93.3 | Very high | 87 Ų | 87 | 64.7 Ų | 64.7 | 47% | 0.465 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 174.9 | -72.5 | -27 | 0 | 0 | 0 | 111.7 | S52 T53 C54 K59 M60 | S52-N56 VanDerWaalsContact O-CG 3.22Å; S52-N56 PolarHBondContact O-N 3.23Å; S52-N56 PolarHBondContact O-ND2 3.06Å; T53-N56 PolarHBondContact O-N 3.48Å; C54-N56 VanDerWaalsContact C-N 3.32Å; C54-N56 PolarHBondContact O-N 2.89Å; N56-K59 PolarHBondContact O-N 3.03Å; N56-M60 VanDerWaalsContact O-CG 3.27Å; N56-M60 WeakPolarHBondContact O-CG 3.31Å; N56-M60 PolarHBondContact O-N 3.22Å |
| 57 | L | 97.5 | Very high | 94.1 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -43.1 | 174.6 | -77.3 | 178.4 | 0 | 0 | 0 | 112.5 | T53 C54 K59 M60 L61 A89 V92 L93 L103 | T53-L57 PolarHBondContact O-N 3.47Å; C54-L57 WeakPolarHBondContact O-CB 3.31Å; C54-L57 PolarHBondContact O-N 2.92Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.43Å; L57-M60 HydrophobicContact CD2-SD 4.5Å; L57-M60 PolarHBondContact O-N 2.9Å; L57-L61 WeakPolarHBondContact O-CG 3.36Å; L57-L61 PolarHBondContact O-N 3.3Å; L57-A89 HydrophobicContact CB-CB 3.76Å; L57-A89 HydrophobicContact CD1-CB 4.39Å; L57-V92 HydrophobicContact CD1-CB 4.18Å; L57-V92 HydrophobicContact CD1-CG1 3.68Å; L57-V92 HydrophobicContact CD2-CG1 4.46Å; L57-L93 HydrophobicContact CD1-CD2 3.81Å; L57-L93 HydrophobicContact CD1-CG 3.84Å; L57-L103 HydrophobicContact CD1-CD1 4.15Å; L57-L103 HydrophobicContact CD1-CD2 3.79Å; L57-L103 HydrophobicContact CD2-CD1 4.12Å; L57-L103 HydrophobicContact CD2-CD2 3.88Å; L57-L103 HydrophobicContact CG-CD2 3.88Å |
| 58 | V | 98.1 | Very high | 94.9 | Very high | 12 Ų | 12 | 60.8 Ų | 60.8 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.8 | -51.6 | 174.5 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | C54 Q55 M60 L61 E62 Q86 A89 | C54-V58 WeakPolarHBondContact O-CG2 3.43Å; C54-V58 PolarHBondContact O-N 2.83Å; Q55-V58 PolarHBondContact O-N 2.87Å; V58-M60 VanDerWaalsContact C-N 3.3Å; V58-M60 PolarHBondContact O-N 3.42Å; V58-L61 PolarHBondContact O-N 3.28Å; V58-E62 HydrophobicContact CG1-CG 4.47Å; V58-E62 WeakPolarHBondContact O-CG 3.31Å; V58-E62 PolarHBondContact O-N 3.35Å; V58-Q86 HydrophobicContact CG2-CB 4.4Å; V58-A89 HydrophobicContact CG2-CB 3.79Å |
| 59 | K | 97.6 | Very high | 95.3 | Very high | 129 Ų | 129 | 58 Ų | 58 | 56% | 0.561 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.8 | -39 | 178.2 | -70.5 | 172.4 | -174.6 | 171 | 0 | 112.5 | Q55 N56 L57 N63 | Q55-K59 WeakPolarHBondContact O-CG 3.4Å; Q55-K59 PolarHBondContact O-N 3.41Å; Q55-K59 VanDerWaalsContact O-N 3.09Å; N56-K59 PolarHBondContact O-N 3.03Å; L57-K59 VanDerWaalsContact C-N 3.35Å; L57-K59 PolarHBondContact O-N 3.43Å; K59-N63 WeakPolarHBondContact O-CB 3.45Å; K59-N63 PolarHBondContact O-N 3.31Å |
| 60 | M | 97.2 | Very high | 95.3 | Very high | 65 Ų | 65 | 58 Ų | 58 | 32% | 0.32 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 178.2 | -72.6 | 170.8 | 63.8 | 0 | 0 | 111.9 | N56 L57 V58 N63 C64 I124 | N56-M60 VanDerWaalsContact O-CG 3.27Å; N56-M60 WeakPolarHBondContact O-CG 3.31Å; N56-M60 PolarHBondContact O-N 3.22Å; L57-M60 HydrophobicContact CD2-SD 4.5Å; L57-M60 PolarHBondContact O-N 2.9Å; V58-M60 VanDerWaalsContact C-N 3.3Å; V58-M60 PolarHBondContact O-N 3.42Å; M60-N63 PolarHBondContact O-N 3.43Å; M60-C64 WeakPolarHBondContact O-CB 3.42Å; M60-C64 PolarHBondContact O-N 3.44Å; M60-I124 HydrophobicContact CE-CG2 3.11Å |
| 61 | L | 98.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 176.5 | -69.1 | 172 | 0 | 0 | 0 | 111.8 | L57 V58 C64 L65 T85 I88 M108 V110 L138 F140 | L57-L61 WeakPolarHBondContact O-CG 3.36Å; L57-L61 PolarHBondContact O-N 3.3Å; V58-L61 PolarHBondContact O-N 3.28Å; L61-C64 WeakPolarHBondContact O-CB 3.39Å; L61-C64 PolarHBondContact O-N 3Å; L61-L65 WeakPolarHBondContact O-CG 3.4Å; L61-L65 PolarHBondContact O-N 3Å; L61-T85 HydrophobicContact CB-CG2 4.24Å; L61-I88 HydrophobicContact CD1-CB 4.07Å; L61-I88 HydrophobicContact CD1-CG2 3.61Å; L61-M108 HydrophobicContact CD2-CE 3.54Å; L61-M108 HydrophobicContact CD2-SD 4.35Å; L61-M108 HydrophobicContact CG-CE 4.32Å; L61-V110 HydrophobicContact CD2-CG2 4.46Å; L61-L138 HydrophobicContact CD2-CD2 3.51Å; L61-F140 HydrophobicContact CD2-CZ 4.48Å |
| 62 | E | 97.2 | Very high | 95.3 | Very high | 95 Ų | 95 | 58.6 Ų | 58.6 | 44% | 0.444 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 177.7 | -70.9 | 177.7 | 175.4 | 0 | 0 | 112.2 | V58 L65 S66 T85 | V58-E62 HydrophobicContact CG1-CG 4.47Å; V58-E62 WeakPolarHBondContact O-CG 3.31Å; V58-E62 PolarHBondContact O-N 3.35Å; E62-L65 PolarHBondContact O-N 3.42Å; E62-S66 VanDerWaalsContact O-CB 3.29Å; E62-S66 WeakPolarHBondContact O-CB 3.25Å; E62-S66 PolarHBondContact O-N 2.66Å; E62-T85 HydrophobicContact CG-CG2 3.97Å; E62-T85 PolarHBondContact OE1-OG1 3.49Å |
| 63 | N | 97 | Very high | 95 | Very high | 77 Ų | 77 | 57 Ų | 57 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 174.6 | -170.5 | 27.3 | 0 | 0 | 0 | 111.7 | K59 M60 S66 K67 | K59-N63 WeakPolarHBondContact O-CB 3.45Å; K59-N63 PolarHBondContact O-N 3.31Å; M60-N63 PolarHBondContact O-N 3.43Å; N63-S66 PolarHBondContact O-N 3.24Å; N63-K67 WeakPolarHBondContact ND2-CE 3.43Å; N63-K67 PolarHBondContact ND2-NZ 2.81Å; N63-K67 WeakPolarHBondContact O-CB 3.4Å; N63-K67 VanDerWaalsContact O-CG 3.29Å; N63-K67 WeakPolarHBondContact O-CG 3.41Å; N63-K67 PolarHBondContact O-N 3.47Å; N63-K67 VanDerWaalsContact OD1-CE 3.24Å; N63-K67 WeakPolarHBondContact OD1-CE 3.48Å |
| 64 | C | 97 | Very high | 94.5 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.1 | -55.8 | 173.1 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | M60 L61 S66 K67 S68 D122 I124 | M60-C64 WeakPolarHBondContact O-CB 3.42Å; M60-C64 PolarHBondContact O-N 3.44Å; L61-C64 WeakPolarHBondContact O-CB 3.39Å; L61-C64 PolarHBondContact O-N 3Å; C64-S66 VanDerWaalsContact C-N 3.27Å; C64-S66 PolarHBondContact O-N 2.86Å; C64-K67 PolarHBondContact O-N 2.96Å; C64-S68 WeakPolarHBondContact O-CB 3.42Å; C64-S68 PolarHBondContact O-N 2.95Å; C64-S68 PolarHBondContact O-OG 2.95Å; C64-D122 WeakPolarHBondContact SG-CB 3.46Å; C64-I124 HydrophobicContact CB-CD1 4.33Å |
| 65 | L | 96.5 | Very high | 94 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57 | -41.7 | 177.4 | -69.9 | 171.6 | 0 | 0 | 0 | 111.9 | L61 E62 S68 K69 V80 L121 F140 L170 | L61-L65 WeakPolarHBondContact O-CG 3.4Å; L61-L65 PolarHBondContact O-N 3Å; E62-L65 PolarHBondContact O-N 3.42Å; L65-S68 PolarHBondContact O-N 3.38Å; L65-K69 PolarHBondContact O-N 2.92Å; L65-V80 HydrophobicContact CD1-CG2 3.86Å; L65-L121 HydrophobicContact CD2-CD1 3.94Å; L65-F140 HydrophobicContact CD1-CE1 4.42Å; L65-F140 HydrophobicContact CD1-CE2 4.42Å; L65-F140 HydrophobicContact CD1-CZ 4.08Å; L65-F140 HydrophobicContact CD2-CD2 4.07Å; L65-F140 HydrophobicContact CD2-CE2 3.96Å; L65-F140 HydrophobicContact CD2-CZ 4.41Å; L65-F140 HydrophobicContact CG-CE2 4.3Å; L65-F140 HydrophobicContact CG-CZ 4.42Å; L65-L170 HydrophobicContact CD1-CD1 3.79Å; L65-L170 HydrophobicContact CD2-CD1 4.05Å |
| 66 | S | 95.6 | Very high | 93.5 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 179.8 | -159.8 | 0 | 0 | 0 | 0 | 112.8 | E62 N63 C64 S68 K69 | E62-S66 VanDerWaalsContact O-CB 3.29Å; E62-S66 WeakPolarHBondContact O-CB 3.25Å; E62-S66 PolarHBondContact O-N 2.66Å; N63-S66 PolarHBondContact O-N 3.24Å; C64-S66 VanDerWaalsContact C-N 3.27Å; C64-S66 PolarHBondContact O-N 2.86Å; S66-S68 VanDerWaalsContact C-N 3.31Å; S66-S68 PolarHBondContact O-N 2.86Å; S66-K69 VanDerWaalsContact O-CB 3.31Å; S66-K69 WeakPolarHBondContact O-CB 3.24Å; S66-K69 WeakPolarHBondContact O-CD 3.41Å; S66-K69 WeakPolarHBondContact O-CG 3.46Å; S66-K69 PolarHBondContact O-N 2.8Å; S66-K69 PolarHBondContact OG-NZ 2.94Å |
| 67 | K | 95 | Very high | 93.2 | Very high | 124 Ų | 124 | 58 Ų | 58 | 54% | 0.539 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 176.3 | -73.6 | 169.6 | 173.6 | 172.9 | 0 | 112.2 | N63 C64 K69 T71 | N63-K67 WeakPolarHBondContact ND2-CE 3.43Å; N63-K67 PolarHBondContact ND2-NZ 2.81Å; N63-K67 WeakPolarHBondContact O-CB 3.4Å; N63-K67 VanDerWaalsContact O-CG 3.29Å; N63-K67 WeakPolarHBondContact O-CG 3.41Å; N63-K67 PolarHBondContact O-N 3.47Å; N63-K67 VanDerWaalsContact OD1-CE 3.24Å; N63-K67 WeakPolarHBondContact OD1-CE 3.48Å; C64-K67 PolarHBondContact O-N 2.96Å; K67-K69 VanDerWaalsContact C-N 3.3Å; K67-K69 PolarHBondContact O-N 3.49Å; K67-T71 PolarHBondContact O-OG1 3.34Å |
| 68 | S | 94.3 | Very high | 93 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -73.3 | -17.6 | -179.3 | -61.2 | 0 | 0 | 0 | 0 | 114.2 | C64 L65 S66 Q70 T71 K72 L73 | C64-S68 WeakPolarHBondContact O-CB 3.42Å; C64-S68 PolarHBondContact O-N 2.95Å; C64-S68 PolarHBondContact O-OG 2.95Å; L65-S68 PolarHBondContact O-N 3.38Å; S66-S68 VanDerWaalsContact C-N 3.31Å; S66-S68 PolarHBondContact O-N 2.86Å; S68-Q70 PolarHBondContact O-N 2.83Å; S68-T71 WeakPolarHBondContact CA-OG1 3.45Å; S68-T71 PolarHBondContact O-N 3.21Å; S68-K72 PolarHBondContact O-N 3.1Å; S68-L73 WeakPolarHBondContact O-CG 3.41Å; S68-L73 PolarHBondContact O-N 2.79Å |
| 69 | K | 91.4 | Very high | 92.9 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -45.5 | -61.4 | -179.8 | -78.1 | 169.7 | -173.2 | 160.1 | 0 | 112.7 | L65 S66 K67 L73 G74 C75 V78 | L65-K69 PolarHBondContact O-N 2.92Å; S66-K69 VanDerWaalsContact O-CB 3.31Å; S66-K69 WeakPolarHBondContact O-CB 3.24Å; S66-K69 WeakPolarHBondContact O-CD 3.41Å; S66-K69 WeakPolarHBondContact O-CG 3.46Å; S66-K69 PolarHBondContact O-N 2.8Å; S66-K69 PolarHBondContact OG-NZ 2.94Å; K67-K69 VanDerWaalsContact C-N 3.3Å; K67-K69 PolarHBondContact O-N 3.49Å; K69-L73 CarbonylContact O-C 3.56Å; K69-G74 PolarHBondContact O-N 3.49Å; K69-C75 CarbonylContact C-O 3.56Å; K69-C75 WeakPolarHBondContact CB-O 3.35Å; K69-C75 PolarHBondContact O-N 3.39Å; K69-C75 VanDerWaalsContact O-O 3.05Å; K69-V78 HydrophobicContact CG-CG2 3.72Å |
| 70 | Q | 87.6 | Confident | 92.8 | Very high | 146 Ų | 146 | 58.6 Ų | 58.6 | 68% | 0.682 | 31% | 0.307 | S | S | * | . | I | π-helix | trans | -87.8 | -32.7 | -177.1 | -169.8 | 58.6 | 42.4 | 0 | 0 | 112.4 | S68 | S68-Q70 PolarHBondContact O-N 2.83Å |
| 71 | T | 89.6 | Confident | 92.7 | Very high | 101 Ų | 101 | 57.6 Ų | 57.6 | 62% | 0.62 | 31% | 0.306 | S | S | * | . | I | π-helix | trans | -83.2 | -31.4 | -169.3 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | K67 S68 | K67-T71 PolarHBondContact O-OG1 3.34Å; S68-T71 WeakPolarHBondContact CA-OG1 3.45Å; S68-T71 PolarHBondContact O-N 3.21Å |
| 72 | K | 90.3 | Very high | 92.4 | Very high | 119 Ų | 119 | 66 Ų | 66 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | I | π-helix | trans | -124.4 | -30.3 | -174.6 | -56.3 | -61.1 | 179.4 | -174.1 | 0 | 113.4 | S68 L121 | S68-K72 PolarHBondContact O-N 3.1Å; K72-L121 HydrophobicContact CB-CD2 4.29Å |
| 73 | L | 88.5 | Confident | 92.2 | Very high | 17 Ų | 17 | 67.4 Ų | 67.4 | 9% | 0.089 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -102 | -25.2 | -171.5 | -59.7 | 177.9 | 0 | 0 | 0 | 113.7 | S68 K69 C75 V78 L112 I114 K119 L121 L168 | S68-L73 WeakPolarHBondContact O-CG 3.41Å; S68-L73 PolarHBondContact O-N 2.79Å; K69-L73 CarbonylContact O-C 3.56Å; L73-C75 VanDerWaalsContact C-N 3.26Å; L73-C75 HydrophobicContact CB-CB 4.47Å; L73-C75 VanDerWaalsContact CB-SG 3.51Å; L73-C75 PolarHBondContact O-N 3.19Å; L73-V78 HydrophobicContact CD1-CG2 4.11Å; L73-L112 HydrophobicContact CD1-CD2 4.15Å; L73-L112 HydrophobicContact CD2-CD2 3.53Å; L73-L112 HydrophobicContact CG-CD2 4.5Å; L73-I114 HydrophobicContact CD2-CD1 4.33Å; L73-K119 HydrophobicContact CD2-CD 4.33Å; L73-L121 HydrophobicContact CD2-CD2 3.79Å; L73-L121 HydrophobicContact CG-CD2 4.22Å; L73-L168 HydrophobicContact CD1-CD1 4.36Å; L73-L168 HydrophobicContact CD2-CD1 4.39Å |
| 74 | G | 85.4 | Confident | 92.3 | Very high | 39 Ų | 39 | 63.8 Ų | 63.8 | 40% | 0.402 | 33% | 0.33 | S | S | . | . | trans | 63.8 | 33.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K69 | K69-G74 PolarHBondContact O-N 3.49Š| ||
| 75 | C | 86.5 | Confident | 92.3 | Very high | 6 Ų | 6 | 63.9 Ų | 63.9 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | trans | -123.1 | 153.7 | -179.8 | 67.9 | 0 | 0 | 0 | 0 | 111.2 | K69 L73 R166 | K69-C75 CarbonylContact C-O 3.56Å; K69-C75 WeakPolarHBondContact CB-O 3.35Å; K69-C75 PolarHBondContact O-N 3.39Å; K69-C75 VanDerWaalsContact O-O 3.05Å; L73-C75 VanDerWaalsContact C-N 3.26Å; L73-C75 HydrophobicContact CB-CB 4.47Å; L73-C75 VanDerWaalsContact CB-SG 3.51Å; L73-C75 PolarHBondContact O-N 3.19Å; C75-R166 CarbonylContact C-O 3.59Å; C75-R166 WeakPolarHBondContact CA-O 3.33Å; C75-R166 HydrophobicContact CB-CB 4.1Å; C75-R166 VanDerWaalsContact CB-O 3.31Å; C75-R166 WeakPolarHBondContact CB-O 3.38Å | ||
| 76 | S | 87.1 | Confident | 92.4 | Very high | 41 Ų | 41 | 67 Ų | 67 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -91.7 | -26.3 | 178.3 | 68.3 | 0 | 0 | 0 | 0 | 113.3 | R165 R166 | S76-R165 WeakPolarHBondContact OG-CB 3.44Å; S76-R166 PolarHBondContact N-O 3.15Å; S76-R166 PolarHBondContact OG-O 3.25Å |
| 77 | K | 90.2 | Very high | 92.5 | Very high | 123 Ų | 123 | 68.4 Ų | 68.4 | 54% | 0.535 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 141 | -175.8 | -67.4 | -176.5 | -179.8 | -176.6 | 0 | 109.6 | R166 T167 L168 | K77-R166 PolarHBondContact N-O 2.99Å; K77-T167 HydrophobicContact CB-CG2 3.88Å; K77-T167 WeakPolarHBondContact O-CA 3.33Å; K77-L168 PolarHBondContact O-N 3.06Å |
| 78 | V | 93.5 | Very high | 92.6 | Very high | 19 Ų | 19 | 62.5 Ų | 62.5 | 12% | 0.115 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.5 | 169.5 | 173.4 | 0 | 0 | 0 | 0 | 105.7 | K69 L73 V80 L168 L170 | K69-V78 HydrophobicContact CG-CG2 3.72Å; L73-V78 HydrophobicContact CD1-CG2 4.11Å; V78-V80 HydrophobicContact CG1-CG2 4.06Å; V78-L168 CarbonylContact C-O 3.5Å; V78-L168 VanDerWaalsContact CA-O 3.26Å; V78-L168 WeakPolarHBondContact CA-O 3.24Å; V78-L168 HydrophobicContact CG1-CD2 4.21Å; V78-L168 HydrophobicContact CG2-CB 4.31Å; V78-L168 HydrophobicContact CG2-CD2 4.49Å; V78-L170 HydrophobicContact CG1-CD1 4.19Å; V78-L170 HydrophobicContact CG1-CG 4.14Å |
| 79 | L | 94.4 | Very high | 92.8 | Very high | 86 Ų | 86 | 62.3 Ų | 62.3 | 45% | 0.45 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 127.2 | 174.4 | -57.7 | -174.6 | 0 | 0 | 0 | 108.3 | T167 L168 I169 L170 | L79-T167 HydrophobicContact CD1-CG2 4.02Å; L79-T167 HydrophobicContact CG-CG2 3.81Å; L79-L168 PolarHBondContact N-O 3.38Å; L79-I169 HydrophobicContact CB-CG1 4.34Å; L79-I169 HydrophobicContact CB-CG2 4.32Å; L79-I169 HydrophobicContact CD1-CD1 4.23Å; L79-I169 HydrophobicContact CD1-CG1 4.08Å; L79-I169 HydrophobicContact CG-CG1 4.46Å; L79-L170 PolarHBondContact O-N 3.09Å |
| 80 | V | 95.7 | Very high | 93.1 | Very high | 52 Ų | 52 | 64.2 Ų | 64.2 | 32% | 0.315 | 33% | 0.325 | S | S | . | . | trans | -117 | 128.4 | -176.9 | -173.8 | 0 | 0 | 0 | 0 | 107.4 | L65 V78 E82 L84 T85 L170 | L65-V80 HydrophobicContact CD1-CG2 3.86Å; V78-V80 HydrophobicContact CG1-CG2 4.06Å; V80-E82 PolarHBondContact O-N 3.34Å; V80-L84 HydrophobicContact CG1-CB 4.12Å; V80-L84 HydrophobicContact CG1-CD2 4.25Å; V80-T85 HydrophobicContact CG1-CG2 3.98Å; V80-L170 HydrophobicContact CG1-CD1 4.44Å; V80-L170 HydrophobicContact CG2-CD1 4.02Å | ||
| 81 | P | 95.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 29% | 0.286 | 30% | 0.3 | S | S | . | . | trans | -57.1 | 137.8 | 172.1 | -23.2 | 31.8 | 0 | 0 | 0 | 111.1 | K83 L84 L170 | P81-K83 PolarHBondContact O-N 3.44Å; P81-L84 HydrophobicContact CB-CB 4.11Å; P81-L84 HydrophobicContact CG-CB 4.37Å; P81-L84 HydrophobicContact CG-CD2 4.26Å; P81-L84 WeakPolarHBondContact O-CB 3.46Å; P81-L84 PolarHBondContact O-N 2.91Å; P81-L170 WeakPolarHBondContact CD-O 3.42Å; P81-L170 WeakPolarHBondContact CG-O 3.14Å | ||
| 82 | E | 91 | Very high | 94 | Very high | 176 Ų | 176 | 54 Ų | 54 | 82% | 0.822 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | -37 | -166.6 | -172.1 | -176.4 | 170 | 0 | 0 | 115 | V80 | V80-E82 PolarHBondContact O-N 3.34Š|
| 83 | K | 94.6 | Very high | 94.3 | Very high | 126 Ų | 126 | 49.3 Ų | 49.3 | 55% | 0.548 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 6.4 | -176 | -61 | -178.6 | -179.1 | 179.3 | 0 | 113.9 | P81 R87 | P81-K83 PolarHBondContact O-N 3.44Å; K83-R87 WeakPolarHBondContact O-CB 3.34Å; K83-R87 VanDerWaalsContact O-CG 3.31Å; K83-R87 WeakPolarHBondContact O-CG 3.48Å; K83-R87 PolarHBondContact O-N 3.43Å |
| 84 | L | 97.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.9 | -52 | -174.5 | 178.2 | 59.9 | 0 | 0 | 0 | 111.5 | V80 P81 Q86 R87 I88 F140 L170 S171 S172 F174 | V80-L84 HydrophobicContact CG1-CB 4.12Å; V80-L84 HydrophobicContact CG1-CD2 4.25Å; P81-L84 HydrophobicContact CB-CB 4.11Å; P81-L84 HydrophobicContact CG-CB 4.37Å; P81-L84 HydrophobicContact CG-CD2 4.26Å; P81-L84 WeakPolarHBondContact O-CB 3.46Å; P81-L84 PolarHBondContact O-N 2.91Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; L84-Q86 PolarHBondContact O-N 2.95Å; L84-R87 PolarHBondContact O-N 3.33Å; L84-I88 HydrophobicContact CD1-CD1 3.83Å; L84-I88 HydrophobicContact CD1-CG1 4.31Å; L84-I88 HydrophobicContact CG-CD1 3.83Å; L84-I88 WeakPolarHBondContact O-CD1 3.45Å; L84-I88 VanDerWaalsContact O-CG1 3.25Å; L84-I88 WeakPolarHBondContact O-CG1 3.19Å; L84-I88 PolarHBondContact O-N 2.87Å; L84-F140 HydrophobicContact CD2-CD1 4.05Å; L84-F140 HydrophobicContact CD2-CE1 4.1Å; L84-F140 HydrophobicContact CG-CE1 4.37Å; L84-L170 HydrophobicContact CD2-CB 4.13Å; L84-L170 HydrophobicContact CD2-CD1 4.31Å; L84-S171 WeakPolarHBondContact CD2-O 3.36Å; L84-S172 VanDerWaalsContact CD1-O 3.29Å; L84-S172 WeakPolarHBondContact CD1-O 3.45Å; L84-F174 HydrophobicContact CD1-CD1 3.6Å; L84-F174 HydrophobicContact CD1-CE1 4.21Å; L84-F174 HydrophobicContact CD1-CG 4.44Å |
| 85 | T | 97.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -37.9 | -179.4 | 45.3 | 0 | 0 | 0 | 0 | 111.8 | L61 E62 V80 I88 A89 | L61-T85 HydrophobicContact CB-CG2 4.24Å; E62-T85 HydrophobicContact CG-CG2 3.97Å; E62-T85 PolarHBondContact OE1-OG1 3.49Å; V80-T85 HydrophobicContact CG1-CG2 3.98Å; T85-I88 PolarHBondContact O-N 3.44Å; T85-A89 WeakPolarHBondContact O-CB 3.4Å; T85-A89 PolarHBondContact O-N 3.37Å |
| 86 | Q | 97.7 | Very high | 95.7 | Very high | 69 Ų | 69 | 53.9 Ų | 53.9 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 175 | -169.7 | 178.5 | 15.9 | 0 | 0 | 112.3 | V58 L84 I88 A89 Q90 | V58-Q86 HydrophobicContact CG2-CB 4.4Å; L84-Q86 VanDerWaalsContact C-N 3.32Å; L84-Q86 PolarHBondContact O-N 2.95Å; Q86-I88 VanDerWaalsContact C-N 3.32Å; Q86-I88 PolarHBondContact O-N 3.26Å; Q86-A89 PolarHBondContact O-N 2.83Å; Q86-Q90 WeakPolarHBondContact O-CG 3.39Å; Q86-Q90 PolarHBondContact O-N 3.35Å |
| 87 | R | 97.9 | Very high | 96.1 | Very high | 84 Ų | 84 | 56.2 Ų | 56.2 | 32% | 0.317 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 175.9 | -74.4 | -171 | -61.1 | 153.8 | 7.7 | 111.7 | K83 L84 Q90 D91 S172 S193 | K83-R87 WeakPolarHBondContact O-CB 3.34Å; K83-R87 VanDerWaalsContact O-CG 3.31Å; K83-R87 WeakPolarHBondContact O-CG 3.48Å; K83-R87 PolarHBondContact O-N 3.43Å; L84-R87 PolarHBondContact O-N 3.33Å; R87-Q90 PolarHBondContact O-N 2.96Å; R87-D91 PolarHBondContact O-N 2.98Å; R87-S172 PolarHBondContact NH2-O 3.22Å; R87-S193 PolarHBondContact NH1-O 3.18Å |
| 88 | I | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -44.7 | 176.5 | -67.4 | 163.7 | 0 | 0 | 0 | 110.8 | L61 L84 T85 Q86 Q90 D91 V92 L138 F140 F174 | L61-I88 HydrophobicContact CD1-CB 4.07Å; L61-I88 HydrophobicContact CD1-CG2 3.61Å; L84-I88 HydrophobicContact CD1-CD1 3.83Å; L84-I88 HydrophobicContact CD1-CG1 4.31Å; L84-I88 HydrophobicContact CG-CD1 3.83Å; L84-I88 WeakPolarHBondContact O-CD1 3.45Å; L84-I88 VanDerWaalsContact O-CG1 3.25Å; L84-I88 WeakPolarHBondContact O-CG1 3.19Å; L84-I88 PolarHBondContact O-N 2.87Å; T85-I88 PolarHBondContact O-N 3.44Å; Q86-I88 VanDerWaalsContact C-N 3.32Å; Q86-I88 PolarHBondContact O-N 3.26Å; I88-Q90 VanDerWaalsContact C-N 3.33Å; I88-Q90 PolarHBondContact O-N 2.97Å; I88-D91 PolarHBondContact O-N 3.01Å; I88-V92 HydrophobicContact CG2-CG2 4.16Å; I88-V92 WeakPolarHBondContact O-CB 3.41Å; I88-V92 VanDerWaalsContact O-CG2 3.24Å; I88-V92 WeakPolarHBondContact O-CG2 3.44Å; I88-V92 PolarHBondContact O-N 3.45Å; I88-L138 HydrophobicContact CD1-CD1 4.07Å; I88-L138 HydrophobicContact CD1-CD2 4.44Å; I88-L138 HydrophobicContact CG1-CD1 4.26Å; I88-L138 HydrophobicContact CG2-CD1 3.83Å; I88-L138 HydrophobicContact CG2-CD2 3.74Å; I88-L138 HydrophobicContact CG2-CG 4.43Å; I88-F140 HydrophobicContact CD1-CD1 4.1Å; I88-F140 HydrophobicContact CD1-CE1 3.33Å; I88-F140 HydrophobicContact CD1-CZ 3.88Å; I88-F174 HydrophobicContact CD1-CB 4.33Å; I88-F174 HydrophobicContact CD1-CD1 4.17Å; I88-F174 HydrophobicContact CD1-CD2 4.34Å; I88-F174 HydrophobicContact CD1-CG 4.02Å; I88-F174 HydrophobicContact CG1-CD1 3.76Å; I88-F174 HydrophobicContact CG1-CD2 3.72Å; I88-F174 HydrophobicContact CG1-CE1 3.74Å; I88-F174 HydrophobicContact CG1-CE2 3.7Å; I88-F174 HydrophobicContact CG1-CG 3.74Å; I88-F174 HydrophobicContact CG1-CZ 3.7Å |
| 89 | A | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L57 V58 T85 Q86 V92 L93 | L57-A89 HydrophobicContact CB-CB 3.76Å; L57-A89 HydrophobicContact CD1-CB 4.39Å; V58-A89 HydrophobicContact CG2-CB 3.79Å; T85-A89 WeakPolarHBondContact O-CB 3.4Å; T85-A89 PolarHBondContact O-N 3.37Å; Q86-A89 PolarHBondContact O-N 2.83Å; A89-V92 PolarHBondContact O-N 3.02Å; A89-L93 WeakPolarHBondContact O-CG 3.29Å; A89-L93 PolarHBondContact O-N 2.97Å |
| 90 | Q | 97.3 | Very high | 96.1 | Very high | 96 Ų | 96 | 56 Ų | 56 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 174.9 | -70 | 172 | -20.8 | 0 | 0 | 112.1 | Q86 R87 I88 V92 L93 R94 | Q86-Q90 WeakPolarHBondContact O-CG 3.39Å; Q86-Q90 PolarHBondContact O-N 3.35Å; R87-Q90 PolarHBondContact O-N 2.96Å; I88-Q90 VanDerWaalsContact C-N 3.33Å; I88-Q90 PolarHBondContact O-N 2.97Å; Q90-V92 VanDerWaalsContact C-N 3.35Å; Q90-V92 PolarHBondContact O-N 3.29Å; Q90-L93 PolarHBondContact O-N 2.91Å; Q90-R94 WeakPolarHBondContact O-CB 3.34Å; Q90-R94 PolarHBondContact O-N 3.29Å |
| 91 | D | 97.9 | Very high | 96 | Very high | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65 | -38.2 | 177.7 | -81.7 | -10.8 | 0 | 0 | 0 | 112.8 | R87 I88 R94 L95 F174 L176 | R87-D91 PolarHBondContact O-N 2.98Å; I88-D91 PolarHBondContact O-N 3.01Å; D91-R94 PolarHBondContact O-N 3.47Å; D91-R94 IonicContact OD1-CZ 3.32Å; D91-R94 VanDerWaalsContact OD1-CZ 3.32Å; D91-R94 IonicContact OD1-NE 3.68Å; D91-R94 IonicContact OD1-NH2 2.66Å; D91-R94 PolarHBondContact OD1-NH2 2.98Å; D91-R94 IonicContact OD2-NH2 3.86Å; D91-L95 WeakPolarHBondContact O-CB 3.17Å; D91-L95 WeakPolarHBondContact O-CG 3.29Å; D91-L95 PolarHBondContact O-N 2.98Å; D91-F174 VanDerWaalsContact OD2-CZ 3.31Å; D91-F174 WeakPolarHBondContact OD2-CZ 3.34Å; D91-L176 HydrophobicContact CB-CD2 3.82Å |
| 92 | V | 98 | Very high | 96 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 173.7 | 165.1 | 0 | 0 | 0 | 0 | 110.6 | L57 I88 A89 Q90 L95 S96 L103 M108 L136 L176 | L57-V92 HydrophobicContact CD1-CB 4.18Å; L57-V92 HydrophobicContact CD1-CG1 3.68Å; L57-V92 HydrophobicContact CD2-CG1 4.46Å; I88-V92 HydrophobicContact CG2-CG2 4.16Å; I88-V92 WeakPolarHBondContact O-CB 3.41Å; I88-V92 VanDerWaalsContact O-CG2 3.24Å; I88-V92 WeakPolarHBondContact O-CG2 3.44Å; I88-V92 PolarHBondContact O-N 3.45Å; A89-V92 PolarHBondContact O-N 3.02Å; Q90-V92 VanDerWaalsContact C-N 3.35Å; Q90-V92 PolarHBondContact O-N 3.29Å; V92-L95 PolarHBondContact O-N 2.78Å; V92-S96 VanDerWaalsContact O-CB 3.28Å; V92-S96 WeakPolarHBondContact O-CB 3.4Å; V92-S96 PolarHBondContact O-N 2.92Å; V92-S96 PolarHBondContact O-OG 3.49Å; V92-L103 HydrophobicContact CG1-CD1 3.64Å; V92-M108 HydrophobicContact CG2-SD 4.01Å; V92-L136 HydrophobicContact CB-CD1 4.15Å; V92-L136 HydrophobicContact CG1-CD1 3.72Å; V92-L136 HydrophobicContact CG2-CD1 3.99Å; V92-L176 HydrophobicContact CG2-CD1 4.28Å; V92-L176 HydrophobicContact CG2-CD2 3.83Å |
| 93 | L | 97.2 | Very high | 96.3 | Very high | 20 Ų | 20 | 48 Ų | 48 | 11% | 0.105 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 177.6 | -70.8 | 175.7 | 0 | 0 | 0 | 111.6 | E50 T53 C54 L57 A89 Q90 L95 S96 S97 L103 | E50-L93 HydrophobicContact CG-CD1 4.2Å; T53-L93 HydrophobicContact CG2-CD2 3.69Å; C54-L93 HydrophobicContact CB-CD1 3.68Å; L57-L93 HydrophobicContact CD1-CD2 3.81Å; L57-L93 HydrophobicContact CD1-CG 3.84Å; A89-L93 WeakPolarHBondContact O-CG 3.29Å; A89-L93 PolarHBondContact O-N 2.97Å; Q90-L93 PolarHBondContact O-N 2.91Å; L93-L95 PolarHBondContact O-N 2.89Å; L93-S96 CarbonylContact O-C 3.49Å; L93-S96 PolarHBondContact O-N 3.42Å; L93-S96 VanDerWaalsContact O-N 3.11Å; L93-S97 PolarHBondContact O-N 3.11Å; L93-L103 HydrophobicContact CD2-CB 4.45Å; L93-L103 HydrophobicContact CD2-CD2 4.01Å |
| 94 | R | 96.4 | Very high | 96.4 | Very high | 142 Ų | 142 | 48.2 Ų | 48.2 | 54% | 0.536 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 176.6 | -178.8 | 177.3 | 62.1 | 171.1 | -1 | 112.9 | Q90 D91 S96 S97 | Q90-R94 WeakPolarHBondContact O-CB 3.34Å; Q90-R94 PolarHBondContact O-N 3.29Å; D91-R94 PolarHBondContact O-N 3.47Å; D91-R94 IonicContact OD1-CZ 3.32Å; D91-R94 VanDerWaalsContact OD1-CZ 3.32Å; D91-R94 IonicContact OD1-NE 3.68Å; D91-R94 IonicContact OD1-NH2 2.66Å; D91-R94 PolarHBondContact OD1-NH2 2.98Å; D91-R94 IonicContact OD2-NH2 3.86Å; R94-S96 VanDerWaalsContact C-N 3.27Å; R94-S96 PolarHBondContact O-N 2.66Å; R94-S97 PolarHBondContact O-OG 2.94Å |
| 95 | L | 96.6 | Very high | 96.4 | Very high | 15 Ų | 15 | 48.2 Ų | 48.2 | 8% | 0.079 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.7 | -31.9 | 176.7 | -82.5 | 176.9 | 0 | 0 | 0 | 112.7 | D91 V92 L93 T98 L136 L176 K178 I190 | D91-L95 WeakPolarHBondContact O-CB 3.17Å; D91-L95 WeakPolarHBondContact O-CG 3.29Å; D91-L95 PolarHBondContact O-N 2.98Å; V92-L95 PolarHBondContact O-N 2.78Å; L93-L95 PolarHBondContact O-N 2.89Å; L95-T98 PolarHBondContact O-OG1 3.37Å; L95-T98 VanDerWaalsContact O-OG1 3.09Å; L95-L136 HydrophobicContact CB-CD2 4.2Å; L95-L136 HydrophobicContact CD1-CD2 3.86Å; L95-L176 HydrophobicContact CD1-CD2 3.55Å; L95-L176 HydrophobicContact CD1-CG 3.7Å; L95-K178 HydrophobicContact CB-CD 4.46Å; L95-K178 HydrophobicContact CD1-CB 4.45Å; L95-K178 HydrophobicContact CD2-CB 4.31Å; L95-K178 HydrophobicContact CD2-CD 4.43Å; L95-K178 PolarHBondContact O-NZ 2.91Å; L95-I190 HydrophobicContact CD1-CD1 4.4Å; L95-I190 HydrophobicContact CD2-CD1 3.52Å; L95-I190 HydrophobicContact CG-CD1 4.19Å |
| 96 | S | 96.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -80.4 | -29.5 | -178.2 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | V92 L93 R94 T98 E99 G102 F134 | V92-S96 VanDerWaalsContact O-CB 3.28Å; V92-S96 WeakPolarHBondContact O-CB 3.4Å; V92-S96 PolarHBondContact O-N 2.92Å; V92-S96 PolarHBondContact O-OG 3.49Å; L93-S96 CarbonylContact O-C 3.49Å; L93-S96 PolarHBondContact O-N 3.42Å; L93-S96 VanDerWaalsContact O-N 3.11Å; R94-S96 VanDerWaalsContact C-N 3.27Å; R94-S96 PolarHBondContact O-N 2.66Å; S96-T98 PolarHBondContact O-N 3.27Å; S96-T98 VanDerWaalsContact O-N 3.11Å; S96-E99 WeakPolarHBondContact O-CB 3.36Å; S96-E99 PolarHBondContact O-N 3.48Å; S96-G102 WeakPolarHBondContact O-CA 3.36Å; S96-F134 WeakPolarHBondContact OG-CZ 3.33Å |
| 97 | S | 95 | Very high | 96.4 | Very high | 90 Ų | 90 | 44.8 Ų | 44.8 | 63% | 0.629 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.7 | -177.3 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | L93 R94 E99 | L93-S97 PolarHBondContact O-N 3.11Å; R94-S97 PolarHBondContact O-OG 2.94Å; S97-E99 PolarHBondContact O-N 2.97Å |
| 98 | T | 93.6 | Very high | 96.4 | Very high | 91 Ų | 91 | 40.9 Ų | 40.9 | 56% | 0.558 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 1 | 175.3 | 64.2 | 0 | 0 | 0 | 0 | 114.3 | L95 S96 K178 | L95-T98 PolarHBondContact O-OG1 3.37Å; L95-T98 VanDerWaalsContact O-OG1 3.09Å; S96-T98 PolarHBondContact O-N 3.27Å; S96-T98 VanDerWaalsContact O-N 3.11Å; T98-K178 PolarHBondContact OG1-NZ 2.83Å |
| 99 | E | 94.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 43.1 Ų | 43.1 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -110.1 | 146.1 | -175.4 | -56.2 | -64.7 | 157.4 | 0 | 0 | 111.1 | S96 S97 C101 G102 F134 K178 K180 | S96-E99 WeakPolarHBondContact O-CB 3.36Å; S96-E99 PolarHBondContact O-N 3.48Å; S97-E99 PolarHBondContact O-N 2.97Å; E99-C101 VanDerWaalsContact C-N 3.28Å; E99-C101 PolarHBondContact O-N 3.09Å; E99-C101 VanDerWaalsContact O-N 3.08Å; E99-G102 PolarHBondContact O-N 3.07Å; E99-F134 HydrophobicContact CB-CD1 3.85Å; E99-F134 HydrophobicContact CB-CE1 3.66Å; E99-F134 HydrophobicContact CB-CZ 4.29Å; E99-F134 HydrophobicContact CG-CD1 3.61Å; E99-F134 HydrophobicContact CG-CD2 4.27Å; E99-F134 HydrophobicContact CG-CE1 3.65Å; E99-F134 HydrophobicContact CG-CE2 4.28Å; E99-F134 HydrophobicContact CG-CG 3.92Å; E99-F134 HydrophobicContact CG-CZ 3.97Å; E99-K178 WeakPolarHBondContact OE1-CE 3.22Å; E99-K178 IonicContact OE1-NZ 2.74Å; E99-K178 PolarHBondContact OE1-NZ 2.84Å; E99-K180 WeakPolarHBondContact OE1-CE 3.4Å; E99-K180 IonicContact OE1-NZ 3.22Å |
| 100 | P | 91.4 | Very high | 96.4 | Very high | 118 Ų | 118 | 43.1 Ų | 43.1 | 77% | 0.766 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -31.5 | -168.8 | -28.1 | 34.6 | 0 | 0 | 0 | 116.4 | ||
| 101 | C | 93.6 | Very high | 96.4 | Very high | 55 Ų | 55 | 39.3 Ų | 39.3 | 37% | 0.372 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 13.1 | 178.1 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | E99 R104 V130 | E99-C101 VanDerWaalsContact C-N 3.28Å; E99-C101 PolarHBondContact O-N 3.09Å; E99-C101 VanDerWaalsContact O-N 3.08Å; C101-R104 WeakPolarHBondContact O-CB 3.39Å; C101-R104 PolarHBondContact O-N 2.91Å; C101-V130 HydrophobicContact CB-CG1 4.09Å |
| 102 | G | 95.5 | Very high | 96.4 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | 54.6 | -143 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | S96 E99 R104 G105 F134 | S96-G102 WeakPolarHBondContact O-CA 3.36Å; E99-G102 PolarHBondContact O-N 3.07Å; G102-R104 PolarHBondContact O-N 2.78Å; G102-R104 VanDerWaalsContact O-N 3.15Å; G102-G105 PolarHBondContact O-N 3.06Å; G102-F134 WeakPolarHBondContact O-CE1 3.27Å |
| 103 | L | 97 | Very high | 96.2 | Very high | 29 Ų | 29 | 40.2 Ų | 40.2 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -57.1 | -29.4 | 177.3 | -178.9 | 65.8 | 0 | 0 | 0 | 113.2 | T53 L57 V92 L93 G105 C106 C126 | T53-L103 HydrophobicContact CG2-CD2 3.5Å; T53-L103 VanDerWaalsContact CG2-CD2 3.5Å; L57-L103 HydrophobicContact CD1-CD1 4.15Å; L57-L103 HydrophobicContact CD1-CD2 3.79Å; L57-L103 HydrophobicContact CD2-CD1 4.12Å; L57-L103 HydrophobicContact CD2-CD2 3.88Å; L57-L103 HydrophobicContact CG-CD2 3.88Å; V92-L103 HydrophobicContact CG1-CD1 3.64Å; L93-L103 HydrophobicContact CD2-CB 4.45Å; L93-L103 HydrophobicContact CD2-CD2 4.01Å; L103-G105 PolarHBondContact O-N 3.47Å; L103-C106 HydrophobicContact CD1-CB 4.23Å; L103-C106 WeakPolarHBondContact O-CB 3.36Å; L103-C106 PolarHBondContact O-N 2.82Å; L103-C126 HydrophobicContact CD1-CB 4.32Å; L103-C126 HydrophobicContact CG-CB 4.12Å; L103-C126 WeakPolarHBondContact O-CB 3.47Å |
| 104 | R | 96.3 | Very high | 95.7 | Very high | 130 Ų | 130 | 40.3 Ų | 40.3 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -63.8 | -29.5 | -176.5 | -56.5 | 175 | 62 | -153.6 | -2.9 | 112.1 | C101 G102 C106 D127 S129 V130 | C101-R104 WeakPolarHBondContact O-CB 3.39Å; C101-R104 PolarHBondContact O-N 2.91Å; G102-R104 PolarHBondContact O-N 2.78Å; G102-R104 VanDerWaalsContact O-N 3.15Å; R104-C106 PolarHBondContact O-N 2.74Å; R104-D127 HydrophobicContact CB-CB 3.8Å; R104-D127 HydrophobicContact CG-CB 4.26Å; R104-D127 IonicContact CZ-OD2 3.98Å; R104-D127 VanDerWaalsContact CZ-OD2 3.22Å; R104-D127 IonicContact NE-OD2 3.65Å; R104-D127 PolarHBondContact NE-OD2 2.88Å; R104-D127 IonicContact NH2-OD2 3.94Å; R104-D127 PolarHBondContact NH2-OD2 3.35Å; R104-S129 PolarHBondContact NH2-OG 3.08Å; R104-V130 HydrophobicContact CB-CB 4.45Å; R104-V130 HydrophobicContact CB-CG2 4.1Å; R104-V130 VanDerWaalsContact NH2-CG2 3.26Å |
| 105 | G | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -80.3 | 5.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G102 L103 P132 T133 F134 | G102-G105 PolarHBondContact O-N 3.06Å; L103-G105 PolarHBondContact O-N 3.47Å; G105-P132 CarbonylContact O-C 3.55Å; G105-P132 WeakPolarHBondContact O-CA 3.33Å; G105-T133 PolarHBondContact O-N 2.78Å; G105-F134 WeakPolarHBondContact O-CD1 3.43Å; G105-F134 PolarHBondContact O-N 2.9Å |
| 106 | C | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133.5 | -174.2 | -176.9 | 0 | 0 | 0 | 0 | 112.7 | L103 R104 C126 F134 | L103-C106 HydrophobicContact CD1-CB 4.23Å; L103-C106 WeakPolarHBondContact O-CB 3.36Å; L103-C106 PolarHBondContact O-N 2.82Å; R104-C106 PolarHBondContact O-N 2.74Å; C106-C126 HydrophobicContact CB-CB 4.29Å; C106-C126 WeakPolarHBondContact O-CB 3.16Å; C106-C126 PolarHBondContact O-N 3.4Å; C106-C126 PolarHBondContact O-SG 3.04Å; C106-F134 HydrophobicContact CB-CE1 3.9Å; C106-F134 HydrophobicContact CB-CE2 3.82Å; C106-F134 HydrophobicContact CB-CZ 3.44Å; C106-F134 VanDerWaalsContact CB-CZ 3.44Å |
| 107 | V | 98 | Very high | 94.1 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 126.2 | 153.2 | 59.7 | 0 | 0 | 0 | 0 | 109.8 | R123 I124 V125 P132 F134 E135 L136 | V107-R123 HydrophobicContact CG2-CG 3.79Å; V107-I124 CarbonylContact C-O 3.59Å; V107-I124 WeakPolarHBondContact CA-O 3.38Å; V107-V125 HydrophobicContact CG2-CG2 4.43Å; V107-P132 HydrophobicContact CB-CB 4.27Å; V107-P132 HydrophobicContact CB-CG 4.45Å; V107-P132 HydrophobicContact CG1-CB 4.15Å; V107-F134 PolarHBondContact N-O 3.22Å; V107-F134 VanDerWaalsContact N-O 3.16Å; V107-E135 HydrophobicContact CG1-CB 3.97Å; V107-E135 HydrophobicContact CG1-CG 3.57Å; V107-E135 CarbonylContact O-C 3.57Å; V107-E135 VanDerWaalsContact O-CA 3.24Å; V107-E135 WeakPolarHBondContact O-CA 3.28Å; V107-L136 PolarHBondContact O-N 3.35Å |
| 108 | M | 98.2 | Very high | 94 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.8 | -178.8 | -173.1 | 167.6 | 63.3 | 0 | 0 | 111.1 | L61 V92 V110 I124 L136 | L61-M108 HydrophobicContact CD2-CE 3.54Å; L61-M108 HydrophobicContact CD2-SD 4.35Å; L61-M108 HydrophobicContact CG-CE 4.32Å; V92-M108 HydrophobicContact CG2-SD 4.01Å; M108-V110 HydrophobicContact CE-CG2 4.26Å; M108-V110 HydrophobicContact CG-CG2 4.24Å; M108-I124 HydrophobicContact CB-CB 4.32Å; M108-I124 HydrophobicContact CE-CD1 3.84Å; M108-I124 PolarHBondContact N-O 3.43Å; M108-I124 PolarHBondContact O-N 3.42Å; M108-L136 CarbonylContact C-O 3.56Å; M108-L136 VanDerWaalsContact CA-O 3.31Å; M108-L136 WeakPolarHBondContact CA-O 3.38Å; M108-L136 HydrophobicContact CG-CB 4.24Å |
| 109 | H | 98.4 | Very high | 94 | Very high | 48 Ų | 48 | 49.5 Ų | 49.5 | 22% | 0.222 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 118.6 | 171 | -65.8 | -81.7 | 0 | 0 | 0 | 109.4 | E135 L136 L138 | H109-E135 IonicContact NE2-OE1 2.71Å; H109-L136 PolarHBondContact N-O 3.04Å; H109-L138 PolarHBondContact O-N 3.09Å |
| 110 | V | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.7 | -179.2 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | L61 M108 L121 D122 I124 L138 F140 | L61-V110 HydrophobicContact CD2-CG2 4.46Å; M108-V110 HydrophobicContact CE-CG2 4.26Å; M108-V110 HydrophobicContact CG-CG2 4.24Å; V110-L121 HydrophobicContact CB-CB 4.45Å; V110-L121 HydrophobicContact CG1-CB 4.26Å; V110-L121 HydrophobicContact CG1-CD1 4.2Å; V110-L121 WeakPolarHBondContact O-CA 3.4Å; V110-L121 WeakPolarHBondContact O-CB 3.47Å; V110-L121 PolarHBondContact O-N 3.44Å; V110-D122 PolarHBondContact N-O 2.8Å; V110-D122 PolarHBondContact O-N 3.25Å; V110-I124 HydrophobicContact CG2-CD1 3.87Å; V110-I124 HydrophobicContact CG2-CG1 4.44Å; V110-L138 HydrophobicContact CG1-CD2 4.36Å; V110-F140 HydrophobicContact CG1-CD2 3.95Å; V110-F140 HydrophobicContact CG1-CE2 3.62Å |
| 111 | N | 97.8 | Very high | 94.5 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 162.6 | -179.5 | -54.5 | -57.6 | 0 | 0 | 0 | 111.4 | K119 K120 T137 L138 V139 F140 | N111-K119 CarbonylContact C-O 3.55Å; N111-K119 WeakPolarHBondContact CA-O 3.39Å; N111-K120 WeakPolarHBondContact OD1-CA 3.47Å; N111-K120 WeakPolarHBondContact OD1-CG 3.4Å; N111-T137 WeakPolarHBondContact ND2-CG2 3.16Å; N111-L138 PolarHBondContact N-O 3.09Å; N111-V139 HydrophobicContact CB-CG1 4.5Å; N111-V139 HydrophobicContact CB-CG2 4.27Å; N111-V139 WeakPolarHBondContact O-CA 3.36Å; N111-F140 PolarHBondContact O-N 3.01Å |
| 112 | L | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 126.8 | 173.6 | 177.3 | 65.4 | 0 | 0 | 0 | 110.4 | L73 I114 K119 L121 F140 L168 L170 | L73-L112 HydrophobicContact CD1-CD2 4.15Å; L73-L112 HydrophobicContact CD2-CD2 3.53Å; L73-L112 HydrophobicContact CG-CD2 4.5Å; L112-I114 HydrophobicContact CD2-CD1 3.84Å; L112-I114 HydrophobicContact CD2-CG1 3.97Å; L112-I114 HydrophobicContact CG-CD1 4.27Å; L112-I114 HydrophobicContact CG-CG1 3.88Å; L112-K119 PolarHBondContact N-O 3.1Å; L112-K119 PolarHBondContact O-N 3.49Å; L112-L121 HydrophobicContact CB-CD1 3.96Å; L112-L121 HydrophobicContact CB-CD2 4.11Å; L112-L121 HydrophobicContact CB-CG 4.14Å; L112-F140 WeakPolarHBondContact CA-O 3.43Å; L112-F140 HydrophobicContact CD1-CB 3.54Å; L112-L168 HydrophobicContact CD2-CD1 3.64Å; L112-L168 HydrophobicContact CD2-CD2 4Å; L112-L168 HydrophobicContact CD2-CG 4.48Å; L112-L170 HydrophobicContact CD1-CD2 3.5Å; L112-L170 VanDerWaalsContact CD1-CD2 3.5Å |
| 113 | E | 94.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 24% | 0.238 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 116.7 | 173.9 | -176.1 | 170.4 | -149.1 | 0 | 0 | 110 | V139 F140 Q142 | E113-V139 HydrophobicContact CB-CG1 3.9Å; E113-F140 PolarHBondContact N-O 3.2Å; E113-Q142 PolarHBondContact O-N 3.27Å |
| 114 | I | 87.9 | Confident | 94.8 | Very high | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.108 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 120 | 176.8 | -59.3 | -179.5 | 0 | 0 | 0 | 107.7 | L73 L112 N116 V117 K119 Q142 L168 | L73-I114 HydrophobicContact CD2-CD1 4.33Å; L112-I114 HydrophobicContact CD2-CD1 3.84Å; L112-I114 HydrophobicContact CD2-CG1 3.97Å; L112-I114 HydrophobicContact CG-CD1 4.27Å; L112-I114 HydrophobicContact CG-CG1 3.88Å; I114-N116 PolarHBondContact O-N 3.07Å; I114-N116 VanDerWaalsContact O-N 3.15Å; I114-V117 PolarHBondContact N-O 2.94Å; I114-V117 WeakPolarHBondContact O-CA 3.31Å; I114-V117 WeakPolarHBondContact O-CB 3.41Å; I114-V117 PolarHBondContact O-N 3.45Å; I114-K119 HydrophobicContact CD1-CD 4.06Å; I114-Q142 HydrophobicContact CG1-CB 4.39Å; I114-L168 HydrophobicContact CD1-CD1 3.8Å |
| 115 | E | 84.6 | Confident | 94.8 | Very high | 142 Ų | 142 | 53.5 Ų | 53.5 | 66% | 0.664 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 42.7 | 174.9 | -60.9 | 174.3 | -178.3 | 0 | 0 | 112.6 | V117 | E115-V117 PolarHBondContact O-N 3.49Š|
| 116 | N | 81.1 | Confident | 94.7 | Very high | 148 Ų | 148 | 55 Ų | 55 | 79% | 0.791 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 8.8 | -174.4 | -51.9 | -48.9 | 0 | 0 | 0 | 116.1 | I114 | I114-N116 PolarHBondContact O-N 3.07Å; I114-N116 VanDerWaalsContact O-N 3.15Å |
| 117 | V | 89 | Confident | 94.6 | Very high | 87 Ų | 87 | 56.7 Ų | 56.7 | 53% | 0.527 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123 | 172.7 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | I114 E115 | I114-V117 PolarHBondContact N-O 2.94Å; I114-V117 WeakPolarHBondContact O-CA 3.31Å; I114-V117 WeakPolarHBondContact O-CB 3.41Å; I114-V117 PolarHBondContact O-N 3.45Å; E115-V117 PolarHBondContact O-N 3.49Å |
| 118 | C | 92.9 | Very high | 94.5 | Very high | 79 Ų | 79 | 62.2 Ų | 62.2 | 53% | 0.534 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 114.4 | 176.7 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 119 | K | 94.5 | Very high | 94.4 | Very high | 77 Ų | 77 | 66.6 Ų | 66.6 | 34% | 0.335 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.5 | 176.6 | -66.8 | -172.2 | 179.4 | -178.7 | 0 | 111 | L73 N111 L112 I114 L121 | L73-K119 HydrophobicContact CD2-CD 4.33Å; N111-K119 CarbonylContact C-O 3.55Å; N111-K119 WeakPolarHBondContact CA-O 3.39Å; L112-K119 PolarHBondContact N-O 3.1Å; L112-K119 PolarHBondContact O-N 3.49Å; I114-K119 HydrophobicContact CD1-CD 4.06Å; K119-L121 PolarHBondContact O-N 2.88Å |
| 120 | K | 97 | Very high | 94.4 | Very high | 171 Ų | 171 | 65.5 Ų | 65.5 | 74% | 0.743 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 120.7 | 172 | -62.7 | -178 | 178.8 | 179.2 | 0 | 110.1 | N111 | N111-K120 WeakPolarHBondContact OD1-CA 3.47Å; N111-K120 WeakPolarHBondContact OD1-CG 3.4Å |
| 121 | L | 97.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 70.5 Ų | 70.5 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -53.6 | 179.8 | -58.6 | -168.2 | 0 | 0 | 0 | 111.3 | L65 K72 L73 V110 L112 K119 | L65-L121 HydrophobicContact CD2-CD1 3.94Å; K72-L121 HydrophobicContact CB-CD2 4.29Å; L73-L121 HydrophobicContact CD2-CD2 3.79Å; L73-L121 HydrophobicContact CG-CD2 4.22Å; V110-L121 HydrophobicContact CB-CB 4.45Å; V110-L121 HydrophobicContact CG1-CB 4.26Å; V110-L121 HydrophobicContact CG1-CD1 4.2Å; V110-L121 WeakPolarHBondContact O-CA 3.4Å; V110-L121 WeakPolarHBondContact O-CB 3.47Å; V110-L121 PolarHBondContact O-N 3.44Å; L112-L121 HydrophobicContact CB-CD1 3.96Å; L112-L121 HydrophobicContact CB-CD2 4.11Å; L112-L121 HydrophobicContact CB-CG 4.14Å; K119-L121 PolarHBondContact O-N 2.88Å |
| 122 | D | 97.4 | Very high | 94.3 | Very high | 67 Ų | 67 | 71.1 Ų | 71.1 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 164.8 | -175.2 | -154.4 | -3.5 | 0 | 0 | 0 | 112.3 | C64 V110 | C64-D122 WeakPolarHBondContact SG-CB 3.46Å; V110-D122 PolarHBondContact N-O 2.8Å; V110-D122 PolarHBondContact O-N 3.25Å |
| 123 | R | 97.6 | Very high | 94.3 | Very high | 133 Ų | 133 | 72.9 Ų | 72.9 | 50% | 0.502 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 111.9 | 170.1 | 178.8 | -177.4 | 174.9 | -83.4 | 0.6 | 108.4 | V107 V125 | V107-R123 HydrophobicContact CG2-CG 3.79Å; R123-V125 VanDerWaalsContact NH1-CG2 3.28Å |
| 124 | I | 97.4 | Very high | 94.4 | Very high | 15 Ų | 15 | 70.5 Ų | 70.5 | 8% | 0.077 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119.4 | -174.2 | -62.6 | 177.2 | 0 | 0 | 0 | 108.9 | M60 C64 V107 M108 V110 | M60-I124 HydrophobicContact CE-CG2 3.11Å; C64-I124 HydrophobicContact CB-CD1 4.33Å; V107-I124 CarbonylContact C-O 3.59Å; V107-I124 WeakPolarHBondContact CA-O 3.38Å; M108-I124 HydrophobicContact CB-CB 4.32Å; M108-I124 HydrophobicContact CE-CD1 3.84Å; M108-I124 PolarHBondContact N-O 3.43Å; M108-I124 PolarHBondContact O-N 3.42Å; V110-I124 HydrophobicContact CG2-CD1 3.87Å; V110-I124 HydrophobicContact CG2-CG1 4.44Å |
| 125 | V | 97.2 | Very high | 94.8 | Very high | 56 Ų | 56 | 71.4 Ų | 71.4 | 34% | 0.339 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.4 | 167.8 | -179 | 0 | 0 | 0 | 0 | 107 | V107 R123 | V107-V125 HydrophobicContact CG2-CG2 4.43Å; R123-V125 VanDerWaalsContact NH1-CG2 3.28Å |
| 126 | C | 95.5 | Very high | 95.5 | Very high | 33 Ų | 33 | 64.6 Ų | 64.6 | 22% | 0.223 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -71.9 | -33.9 | -171.1 | -60 | 0 | 0 | 0 | 0 | 112.7 | L103 C106 | L103-C126 HydrophobicContact CD1-CB 4.32Å; L103-C126 HydrophobicContact CG-CB 4.12Å; L103-C126 WeakPolarHBondContact O-CB 3.47Å; C106-C126 HydrophobicContact CB-CB 4.29Å; C106-C126 WeakPolarHBondContact O-CB 3.16Å; C106-C126 PolarHBondContact O-N 3.4Å; C106-C126 PolarHBondContact O-SG 3.04Å |
| 127 | D | 95.7 | Very high | 96.3 | Very high | 34 Ų | 34 | 59.6 Ų | 59.6 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | trans | -142.6 | 117.1 | 170.7 | -174.1 | -13.2 | 0 | 0 | 0 | 109.4 | R104 S129 V130 | R104-D127 HydrophobicContact CB-CB 3.8Å; R104-D127 HydrophobicContact CG-CB 4.26Å; R104-D127 IonicContact CZ-OD2 3.98Å; R104-D127 VanDerWaalsContact CZ-OD2 3.22Å; R104-D127 IonicContact NE-OD2 3.65Å; R104-D127 PolarHBondContact NE-OD2 2.88Å; R104-D127 IonicContact NH2-OD2 3.94Å; R104-D127 PolarHBondContact NH2-OD2 3.35Å; D127-S129 VanDerWaalsContact C-N 3.26Å; D127-S129 PolarHBondContact O-N 2.84Å; D127-S129 WeakPolarHBondContact OD1-CB 3.4Å; D127-S129 PolarHBondContact OD1-N 3.18Å; D127-S129 PolarHBondContact OD1-OG 2.79Å; D127-S129 VanDerWaalsContact OD1-OG 3.07Å; D127-V130 HydrophobicContact CB-CB 4.38Å; D127-V130 HydrophobicContact CB-CG2 4.33Å; D127-V130 PolarHBondContact O-N 2.98Å; D127-V130 WeakPolarHBondContact OD2-CG2 3.47Å | ||
| 128 | S | 95.8 | Very high | 96.8 | Very high | 118 Ų | 118 | 55.5 Ų | 55.5 | 83% | 0.825 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -14.5 | 179.8 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | V130 | S128-V130 VanDerWaalsContact C-N 3.3Š|
| 129 | S | 96.9 | Very high | 97 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 66% | 0.657 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -5.1 | 176.5 | 88.1 | 0 | 0 | 0 | 0 | 112.8 | R104 D127 | R104-S129 PolarHBondContact NH2-OG 3.08Å; D127-S129 VanDerWaalsContact C-N 3.26Å; D127-S129 PolarHBondContact O-N 2.84Å; D127-S129 WeakPolarHBondContact OD1-CB 3.4Å; D127-S129 PolarHBondContact OD1-N 3.18Å; D127-S129 PolarHBondContact OD1-OG 2.79Å; D127-S129 VanDerWaalsContact OD1-OG 3.07Å |
| 130 | V | 96.8 | Very high | 97.1 | Very high | 25 Ų | 25 | 49 Ų | 49 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -119.7 | 134.6 | -177.7 | -179.7 | 0 | 0 | 0 | 0 | 109 | C101 R104 D127 S128 P132 | C101-V130 HydrophobicContact CB-CG1 4.09Å; R104-V130 HydrophobicContact CB-CB 4.45Å; R104-V130 HydrophobicContact CB-CG2 4.1Å; R104-V130 VanDerWaalsContact NH2-CG2 3.26Å; D127-V130 HydrophobicContact CB-CB 4.38Å; D127-V130 HydrophobicContact CB-CG2 4.33Å; D127-V130 PolarHBondContact O-N 2.98Å; D127-V130 WeakPolarHBondContact OD2-CG2 3.47Å; S128-V130 VanDerWaalsContact C-N 3.3Å; V130-P132 WeakPolarHBondContact O-CD 3.48Å |
| 131 | V | 97 | Very high | 97 | Very high | 104 Ų | 104 | 43.5 Ų | 43.5 | 63% | 0.63 | 25% | 0.249 | S | C | * | . | trans | -67.8 | 124.4 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 108.5 | T133 | V131-T133 PolarHBondContact O-N 2.94Š| ||
| 132 | P | 97.4 | Very high | 96.8 | Very high | 30 Ų | 30 | 45.2 Ų | 45.2 | 20% | 0.195 | 26% | 0.257 | C | S | . | . | trans | -60.2 | 131.7 | 178 | -24.5 | 34.5 | 0 | 0 | 0 | 111.4 | G105 V107 V130 L181 Y182 | G105-P132 CarbonylContact O-C 3.55Å; G105-P132 WeakPolarHBondContact O-CA 3.33Å; V107-P132 HydrophobicContact CB-CB 4.27Å; V107-P132 HydrophobicContact CB-CG 4.45Å; V107-P132 HydrophobicContact CG1-CB 4.15Å; V130-P132 WeakPolarHBondContact O-CD 3.48Å; P132-L181 HydrophobicContact CB-CD1 4.05Å; P132-L181 WeakPolarHBondContact O-CD1 3.49Å; P132-Y182 WeakPolarHBondContact O-CE2 3.46Å | ||
| 133 | T | 96 | Very high | 96.3 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 23% | 0.227 | 26% | 0.26 | C | S | . | . | trans | -108 | -15.3 | 179.3 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | G105 V131 L181 | G105-T133 PolarHBondContact O-N 2.78Å; V131-T133 PolarHBondContact O-N 2.94Å; T133-L181 WeakPolarHBondContact O-CB 3.35Å; T133-L181 PolarHBondContact O-N 3.18Å | ||
| 134 | F | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 162 | 175.4 | 70.2 | -74.1 | 0 | 0 | 0 | 111.1 | S96 E99 G102 G105 C106 V107 L136 K178 K179 | S96-F134 WeakPolarHBondContact OG-CZ 3.33Å; E99-F134 HydrophobicContact CB-CD1 3.85Å; E99-F134 HydrophobicContact CB-CE1 3.66Å; E99-F134 HydrophobicContact CB-CZ 4.29Å; E99-F134 HydrophobicContact CG-CD1 3.61Å; E99-F134 HydrophobicContact CG-CD2 4.27Å; E99-F134 HydrophobicContact CG-CE1 3.65Å; E99-F134 HydrophobicContact CG-CE2 4.28Å; E99-F134 HydrophobicContact CG-CG 3.92Å; E99-F134 HydrophobicContact CG-CZ 3.97Å; G102-F134 WeakPolarHBondContact O-CE1 3.27Å; G105-F134 WeakPolarHBondContact O-CD1 3.43Å; G105-F134 PolarHBondContact O-N 2.9Å; C106-F134 HydrophobicContact CB-CE1 3.9Å; C106-F134 HydrophobicContact CB-CE2 3.82Å; C106-F134 HydrophobicContact CB-CZ 3.44Å; C106-F134 VanDerWaalsContact CB-CZ 3.44Å; V107-F134 PolarHBondContact N-O 3.22Å; V107-F134 VanDerWaalsContact N-O 3.16Å; F134-L136 HydrophobicContact CD2-CD2 4.24Å; F134-L136 HydrophobicContact CD2-CG 4.16Å; F134-L136 HydrophobicContact CE2-CD1 4.13Å; F134-L136 HydrophobicContact CE2-CD2 4.1Å; F134-L136 HydrophobicContact CE2-CG 3.82Å; F134-K178 HydrophobicContact CD2-CD 3.91Å; F134-K178 HydrophobicContact CD2-CG 3.97Å; F134-K178 HydrophobicContact CE2-CD 4.33Å; F134-K179 CarbonylContact C-O 3.51Å; F134-K179 WeakPolarHBondContact CA-O 3.38Å; F134-K179 WeakPolarHBondContact CB-O 3.44Å |
| 135 | E | 97.3 | Very high | 93.7 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 19% | 0.187 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141.1 | 176.4 | -43.1 | -171.9 | 130.5 | 0 | 0 | 109.9 | V107 H109 K178 K179 L181 | V107-E135 HydrophobicContact CG1-CB 3.97Å; V107-E135 HydrophobicContact CG1-CG 3.57Å; V107-E135 CarbonylContact O-C 3.57Å; V107-E135 VanDerWaalsContact O-CA 3.24Å; V107-E135 WeakPolarHBondContact O-CA 3.28Å; H109-E135 IonicContact NE2-OE1 2.71Å; E135-K178 WeakPolarHBondContact O-CA 3.36Å; E135-K179 PolarHBondContact N-O 3.43Å; E135-K179 PolarHBondContact O-N 2.71Å; E135-K179 IonicContact OE2-NZ 2.84Å; E135-L181 VanDerWaalsContact CD-CD2 3.48Å; E135-L181 HydrophobicContact CG-CD1 3.95Å; E135-L181 HydrophobicContact CG-CD2 3.44Å; E135-L181 VanDerWaalsContact CG-CD2 3.44Å; E135-L181 HydrophobicContact CG-CG 3.71Å |
| 136 | L | 98.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.5 | 165.2 | -67 | -179.1 | 0 | 0 | 0 | 109.1 | V92 L95 V107 M108 H109 F134 L176 V177 K178 | V92-L136 HydrophobicContact CB-CD1 4.15Å; V92-L136 HydrophobicContact CG1-CD1 3.72Å; V92-L136 HydrophobicContact CG2-CD1 3.99Å; L95-L136 HydrophobicContact CB-CD2 4.2Å; L95-L136 HydrophobicContact CD1-CD2 3.86Å; V107-L136 PolarHBondContact O-N 3.35Å; M108-L136 CarbonylContact C-O 3.56Å; M108-L136 VanDerWaalsContact CA-O 3.31Å; M108-L136 WeakPolarHBondContact CA-O 3.38Å; M108-L136 HydrophobicContact CG-CB 4.24Å; H109-L136 PolarHBondContact N-O 3.04Å; F134-L136 HydrophobicContact CD2-CD2 4.24Å; F134-L136 HydrophobicContact CD2-CG 4.16Å; F134-L136 HydrophobicContact CE2-CD1 4.13Å; F134-L136 HydrophobicContact CE2-CD2 4.1Å; F134-L136 HydrophobicContact CE2-CG 3.82Å; L136-L176 HydrophobicContact CB-CD1 4.16Å; L136-V177 CarbonylContact C-O 3.44Å; L136-V177 WeakPolarHBondContact CA-O 3.24Å; L136-K178 HydrophobicContact CD2-CB 3.62Å; L136-K178 HydrophobicContact CD2-CD 4.31Å; L136-K178 HydrophobicContact CD2-CG 3.84Å |
| 137 | T | 98.2 | Very high | 89.6 | Confident | 43 Ų | 43 | 55.1 Ų | 55.1 | 26% | 0.264 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 107.5 | 171.1 | -59 | 0 | 0 | 0 | 0 | 108.8 | N111 V139 L176 V177 | N111-T137 WeakPolarHBondContact ND2-CG2 3.16Å; T137-V139 HydrophobicContact CG2-CG2 4.21Å; T137-L176 WeakPolarHBondContact O-CA 3.2Å; T137-V177 PolarHBondContact N-O 3.26Å; T137-V177 PolarHBondContact O-N 2.94Å |
| 138 | L | 98.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.1 | 174.1 | 175.7 | 62.5 | 0 | 0 | 0 | 109.4 | L61 I88 H109 V110 N111 F140 F174 R175 L176 | L61-L138 HydrophobicContact CD2-CD2 3.51Å; I88-L138 HydrophobicContact CD1-CD1 4.07Å; I88-L138 HydrophobicContact CD1-CD2 4.44Å; I88-L138 HydrophobicContact CG1-CD1 4.26Å; I88-L138 HydrophobicContact CG2-CD1 3.83Å; I88-L138 HydrophobicContact CG2-CD2 3.74Å; I88-L138 HydrophobicContact CG2-CG 4.43Å; H109-L138 PolarHBondContact O-N 3.09Å; V110-L138 HydrophobicContact CG1-CD2 4.36Å; N111-L138 PolarHBondContact N-O 3.09Å; L138-F140 HydrophobicContact CD2-CD2 4.36Å; L138-F140 HydrophobicContact CD2-CE2 3.64Å; L138-F140 HydrophobicContact CD2-CZ 3.75Å; L138-F140 HydrophobicContact CG-CD2 4.43Å; L138-F140 HydrophobicContact CG-CE2 4.19Å; L138-F140 HydrophobicContact CG-CZ 4.5Å; L138-F174 HydrophobicContact CD1-CB 4.31Å; L138-F174 HydrophobicContact CD1-CD2 3.86Å; L138-F174 HydrophobicContact CD1-CG 4.42Å; L138-R175 CarbonylContact C-O 3.2Å; L138-R175 WeakPolarHBondContact CA-O 3.11Å; L138-L176 HydrophobicContact CB-CD1 4.02Å; L138-L176 HydrophobicContact CD1-CD1 4.27Å |
| 139 | V | 98 | Very high | 85.3 | Confident | 20 Ų | 20 | 57.5 Ų | 57.5 | 12% | 0.121 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 107.5 | 174.1 | -170.6 | 0 | 0 | 0 | 0 | 108.5 | N111 E113 T137 F174 R175 | N111-V139 HydrophobicContact CB-CG1 4.5Å; N111-V139 HydrophobicContact CB-CG2 4.27Å; N111-V139 WeakPolarHBondContact O-CA 3.36Å; E113-V139 HydrophobicContact CB-CG1 3.9Å; T137-V139 HydrophobicContact CG2-CG2 4.21Å; V139-F174 WeakPolarHBondContact O-CA 3.2Å; V139-R175 HydrophobicContact CB-CB 4.18Å; V139-R175 PolarHBondContact N-O 2.81Å; V139-R175 PolarHBondContact O-N 2.78Å |
| 140 | F | 97.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 148.9 | 165.7 | -70 | -76 | 0 | 0 | 0 | 109.8 | L61 L65 L84 I88 V110 N111 L112 E113 L138 L170 | L61-F140 HydrophobicContact CD2-CZ 4.48Å; L65-F140 HydrophobicContact CD1-CE1 4.42Å; L65-F140 HydrophobicContact CD1-CE2 4.42Å; L65-F140 HydrophobicContact CD1-CZ 4.08Å; L65-F140 HydrophobicContact CD2-CD2 4.07Å; L65-F140 HydrophobicContact CD2-CE2 3.96Å; L65-F140 HydrophobicContact CD2-CZ 4.41Å; L65-F140 HydrophobicContact CG-CE2 4.3Å; L65-F140 HydrophobicContact CG-CZ 4.42Å; L84-F140 HydrophobicContact CD2-CD1 4.05Å; L84-F140 HydrophobicContact CD2-CE1 4.1Å; L84-F140 HydrophobicContact CG-CE1 4.37Å; I88-F140 HydrophobicContact CD1-CD1 4.1Å; I88-F140 HydrophobicContact CD1-CE1 3.33Å; I88-F140 HydrophobicContact CD1-CZ 3.88Å; V110-F140 HydrophobicContact CG1-CD2 3.95Å; V110-F140 HydrophobicContact CG1-CE2 3.62Å; N111-F140 PolarHBondContact O-N 3.01Å; L112-F140 WeakPolarHBondContact CA-O 3.43Å; L112-F140 HydrophobicContact CD1-CB 3.54Å; E113-F140 PolarHBondContact N-O 3.2Å; L138-F140 HydrophobicContact CD2-CD2 4.36Å; L138-F140 HydrophobicContact CD2-CE2 3.64Å; L138-F140 HydrophobicContact CD2-CZ 3.75Å; L138-F140 HydrophobicContact CG-CD2 4.43Å; L138-F140 HydrophobicContact CG-CE2 4.19Å; L138-F140 HydrophobicContact CG-CZ 4.5Å; F140-L170 HydrophobicContact CB-CD2 4.15Å; F140-L170 HydrophobicContact CD1-CD1 3.85Å; F140-L170 HydrophobicContact CE1-CD1 4.22Å; F140-L170 HydrophobicContact CG-CD1 4.28Å |
| 141 | K | 94.7 | Very high | 80.6 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137.6 | 172.6 | -65.1 | -178.9 | 177.3 | 176.1 | 0 | 109.8 | S171 | K141-S171 WeakPolarHBondContact O-CB 3.34Å; K141-S171 PolarHBondContact O-N 2.91Å |
| 142 | Q | 92.2 | Very high | 78.5 | Confident | 45 Ų | 45 | 64 Ų | 64 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 144.5 | 166.6 | -178.1 | 174.2 | -12.2 | 0 | 0 | 109.9 | E113 I114 N144 | E113-Q142 PolarHBondContact O-N 3.27Å; I114-Q142 HydrophobicContact CG1-CB 4.39Å; Q142-N144 PolarHBondContact O-N 3.24Å |
| 143 | E | 88.2 | Confident | 76.3 | Confident | 91 Ų | 91 | 70.3 Ų | 70.3 | 43% | 0.425 | 36% | 0.358 | S | S | . | . | trans | -67.3 | 121.4 | 171.7 | -169 | 166.5 | -162.4 | 0 | 0 | 110.8 | C145 I169 | E143-C145 PolarHBondContact O-N 2.78Å; E143-I169 HydrophobicContact CB-CB 4.39Å; E143-I169 HydrophobicContact CB-CG2 4.26Å; E143-I169 PolarHBondContact N-O 3.2Å; E143-I169 VanDerWaalsContact OE2-CG2 3.26Å; E143-I169 WeakPolarHBondContact OE2-CG2 3.34Å | ||
| 144 | N | 77.1 | Confident | 74.1 | Confident | 146 Ų | 146 | 71.9 Ų | 71.9 | 78% | 0.781 | 36% | 0.362 | S | S | * | . | trans | -78.8 | 67.1 | 174.4 | -68.6 | -22 | 0 | 0 | 0 | 109.5 | Q142 S146 | Q142-N144 PolarHBondContact O-N 3.24Å; N144-S146 PolarHBondContact O-N 2.82Å; N144-S146 VanDerWaalsContact O-N 3.13Å | ||
| 145 | C | 63.6 | Low | 71.6 | Confident | 31 Ų | 31 | 76.3 Ų | 76.3 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | trans | -64.4 | 117.9 | 167.7 | -68 | 0 | 0 | 0 | 0 | 107.4 | E143 W147 F150 | E143-C145 PolarHBondContact O-N 2.78Å; C145-W147 PolarHBondContact O-N 3.08Å; C145-F150 HydrophobicContact CB-CD2 3.79Å; C145-F150 HydrophobicContact CB-CE2 3.98Å; C145-F150 WeakPolarHBondContact SG-CE2 3.42Å | ||
| 146 | S | 54.6 | Low | 69 | Low | 92 Ų | 92 | 78.4 Ų | 78.4 | 64% | 0.643 | 40% | 0.401 | S | S | * | . | trans | -53 | 117 | 160.8 | 64.1 | 0 | 0 | 0 | 0 | 106.9 | N144 T148 | N144-S146 PolarHBondContact O-N 2.82Å; N144-S146 VanDerWaalsContact O-N 3.13Å; S146-T148 PolarHBondContact O-N 3.41Å | ||
| 147 | W | 51.8 | Low | 66.4 | Low | 152 Ų | 152 | 90 Ų | 90 | 58% | 0.576 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 23.6 | -164.6 | -95.6 | 24.6 | 0 | 0 | 0 | 115.3 | C145 F155 | C145-W147 PolarHBondContact O-N 3.08Å; W147-F155 HydrophobicContact CD2-CE2 4.21Å; W147-F155 HydrophobicContact CD2-CZ 4.32Å; W147-F155 AromaticContact CE3-CE2 3.9Å; W147-F155 HydrophobicContact CE3-CE2 3.9Å; W147-F155 AromaticContact CE3-CZ 3.72Å; W147-F155 HydrophobicContact CE3-CZ 3.72Å; W147-F155 HydrophobicContact CH2-CE1 4.22Å; W147-F155 HydrophobicContact CH2-CE2 4.15Å; W147-F155 AromaticContact CH2-CZ 3.36Å; W147-F155 HydrophobicContact CH2-CZ 3.36Å; W147-F155 HydrophobicContact CZ2-CE2 4.38Å; W147-F155 AromaticContact CZ2-CZ 3.96Å; W147-F155 HydrophobicContact CZ2-CZ 3.96Å; W147-F155 AromaticContact CZ3-CE1 3.9Å; W147-F155 HydrophobicContact CZ3-CE1 3.9Å; W147-F155 AromaticContact CZ3-CE2 3.88Å; W147-F155 HydrophobicContact CZ3-CE2 3.88Å; W147-F155 AromaticContact CZ3-CZ 3.2Å; W147-F155 HydrophobicContact CZ3-CZ 3.2Å |
| 148 | T | 50 | Low | 63.8 | Low | 120 Ų | 120 | 90 Ų | 90 | 74% | 0.736 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -33.8 | 172.7 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | S146 | S146-T148 PolarHBondContact O-N 3.41Š|
| 149 | S | 49.5 | Very low | 61.2 | Low | 82 Ų | 82 | 101.8 Ų | 101.8 | 57% | 0.573 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -90.6 | -21.3 | -170.9 | -165.2 | 0 | 0 | 0 | 0 | 115.9 | ||
| 150 | F | 47.1 | Very low | 58.4 | Low | 79 Ų | 79 | 109.1 Ų | 109.1 | 35% | 0.346 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -108.5 | 5.4 | -177.5 | -65.2 | -80.7 | 0 | 0 | 0 | 114 | C145 D152 F153 F154 | C145-F150 HydrophobicContact CB-CD2 3.79Å; C145-F150 HydrophobicContact CB-CE2 3.98Å; C145-F150 WeakPolarHBondContact SG-CE2 3.42Å; F150-D152 PolarHBondContact O-N 3.11Å; F150-D152 VanDerWaalsContact O-N 3.12Å; F150-F153 HydrophobicContact CD1-CD2 4.41Å; F150-F153 PolarHBondContact O-N 3.16Å; F150-F154 HydrophobicContact CB-CD2 4.19Å; F150-F154 HydrophobicContact CB-CE2 4.48Å; F150-F154 PolarHBondContact O-N 2.94Å |
| 151 | R | 48.8 | Very low | 56 | Low | 141 Ų | 141 | 115 Ų | 115 | 53% | 0.532 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -56.2 | -29.8 | 175.1 | -116.3 | -176.6 | 60.7 | -152.9 | -9.1 | 112 | F153 F155 | R151-F153 VanDerWaalsContact C-N 3.32Å; R151-F153 PolarHBondContact O-N 3.07Å; R151-F155 HydrophobicContact CB-CD2 4.47Å; R151-F155 HydrophobicContact CG-CB 3.95Å; R151-F155 HydrophobicContact CG-CD2 3.67Å; R151-F155 HydrophobicContact CG-CE2 4.49Å; R151-F155 HydrophobicContact CG-CG 4.02Å; R151-F155 PolarHBondContact O-N 2.77Å |
| 152 | D | 52.1 | Low | 53.7 | Low | 138 Ų | 138 | 118 Ų | 118 | 74% | 0.738 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73 | -21.5 | -179.9 | -60.9 | -21.4 | 0 | 0 | 0 | 113.6 | F150 | F150-D152 PolarHBondContact O-N 3.11Å; F150-D152 VanDerWaalsContact O-N 3.12Å |
| 153 | F | 50.9 | Low | 51.4 | Low | 163 Ų | 163 | 118.9 Ų | 118.9 | 72% | 0.715 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -97.5 | -23.4 | 177 | -72.9 | -78.8 | 0 | 0 | 0 | 114.1 | F150 R151 | F150-F153 HydrophobicContact CD1-CD2 4.41Å; F150-F153 PolarHBondContact O-N 3.16Å; R151-F153 VanDerWaalsContact C-N 3.32Å; R151-F153 PolarHBondContact O-N 3.07Å |
| 154 | F | 50.8 | Low | 49.6 | Very low | 70 Ų | 70 | 120.5 Ų | 120.5 | 31% | 0.307 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -121.6 | -15.7 | -171.9 | -64.6 | -63.1 | 0 | 0 | 0 | 116.2 | F150 T167 | F150-F154 HydrophobicContact CB-CD2 4.19Å; F150-F154 HydrophobicContact CB-CE2 4.48Å; F150-F154 PolarHBondContact O-N 2.94Å; F154-T167 HydrophobicContact CE1-CG2 4.32Å; F154-T167 VanDerWaalsContact CE1-OG1 3.27Å; F154-T167 WeakPolarHBondContact CE1-OG1 3.42Å; F154-T167 VanDerWaalsContact CZ-CB 3.43Å; F154-T167 HydrophobicContact CZ-CG2 4.02Å |
| 155 | F | 44.2 | Very low | 49 | Very low | 94 Ų | 94 | 123.1 Ų | 123.1 | 41% | 0.412 | 62% | 0.623 | S | S | . | * | trans | -124.8 | 60.6 | -174.5 | -62.7 | -88 | 0 | 0 | 0 | 111.8 | W147 R151 R157 | W147-F155 HydrophobicContact CD2-CE2 4.21Å; W147-F155 HydrophobicContact CD2-CZ 4.32Å; W147-F155 AromaticContact CE3-CE2 3.9Å; W147-F155 HydrophobicContact CE3-CE2 3.9Å; W147-F155 AromaticContact CE3-CZ 3.72Å; W147-F155 HydrophobicContact CE3-CZ 3.72Å; W147-F155 HydrophobicContact CH2-CE1 4.22Å; W147-F155 HydrophobicContact CH2-CE2 4.15Å; W147-F155 AromaticContact CH2-CZ 3.36Å; W147-F155 HydrophobicContact CH2-CZ 3.36Å; W147-F155 HydrophobicContact CZ2-CE2 4.38Å; W147-F155 AromaticContact CZ2-CZ 3.96Å; W147-F155 HydrophobicContact CZ2-CZ 3.96Å; W147-F155 AromaticContact CZ3-CE1 3.9Å; W147-F155 HydrophobicContact CZ3-CE1 3.9Å; W147-F155 AromaticContact CZ3-CE2 3.88Å; W147-F155 HydrophobicContact CZ3-CE2 3.88Å; W147-F155 AromaticContact CZ3-CZ 3.2Å; W147-F155 HydrophobicContact CZ3-CZ 3.2Å; R151-F155 HydrophobicContact CB-CD2 4.47Å; R151-F155 HydrophobicContact CG-CB 3.95Å; R151-F155 HydrophobicContact CG-CD2 3.67Å; R151-F155 HydrophobicContact CG-CE2 4.49Å; R151-F155 HydrophobicContact CG-CG 4.02Å; R151-F155 PolarHBondContact O-N 2.77Å; F155-R157 PolarHBondContact O-N 3.27Å | ||
| 156 | S | 42.7 | Very low | 49.8 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 58% | 0.58 | 64% | 0.644 | S | S | * | * | trans | -58.3 | 111.5 | 155.4 | -47.3 | 0 | 0 | 0 | 0 | 108 | G158 | S156-G158 VanDerWaalsContact C-N 3.26Å; S156-G158 PolarHBondContact O-N 2.78Å | ||
| 157 | R | 44.3 | Very low | 51.3 | Low | 244 Ų | 244 | 126.9 Ų | 126.9 | 92% | 0.921 | 62% | 0.622 | S | S | * | * | trans | -73.4 | 51.3 | -161.3 | -162.6 | 174.8 | 174.4 | -128.8 | 3.4 | 114.5 | F155 | F155-R157 PolarHBondContact O-N 3.27Š| ||
| 158 | G | 43.3 | Very low | 53.2 | Low | 42 Ų | 42 | 120.1 Ų | 120.1 | 43% | 0.433 | 60% | 0.597 | S | S | . | * | trans | -109.3 | 127.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | S156 F160 | S156-G158 VanDerWaalsContact C-N 3.26Å; S156-G158 PolarHBondContact O-N 2.78Å; G158-F160 PolarHBondContact O-N 3.06Å | ||
| 159 | R | 43.4 | Very low | 55.2 | Low | 248 Ų | 248 | 116.2 Ų | 116.2 | 94% | 0.936 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -68.5 | 46.2 | 179.1 | -62.6 | -177.1 | -168.7 | 152.1 | 1.9 | 114.2 | ||
| 160 | F | 39.7 | Very low | 57.4 | Low | 174 Ų | 174 | 112.4 Ų | 112.4 | 76% | 0.763 | 55% | 0.545 | S | S | * | . | trans | -128.8 | 82.4 | 175 | -63.9 | -75.6 | 0 | 0 | 0 | 109.8 | G158 S162 | G158-F160 PolarHBondContact O-N 3.06Å; F160-S162 VanDerWaalsContact C-N 3.31Å; F160-S162 PolarHBondContact O-N 3.43Å | ||
| 161 | S | 46.9 | Very low | 59.6 | Low | 123 Ų | 123 | 110.2 Ų | 110.2 | 86% | 0.86 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | 81.8 | 171.7 | 177 | 0 | 0 | 0 | 0 | 110.2 | ||
| 162 | S | 46.3 | Very low | 61.8 | Low | 121 Ų | 121 | 106.2 Ų | 106.2 | 85% | 0.846 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.2 | 0.6 | 171.4 | -173 | 0 | 0 | 0 | 0 | 116.7 | F160 | F160-S162 VanDerWaalsContact C-N 3.31Å; F160-S162 PolarHBondContact O-N 3.43Å |
| 163 | G | 44.2 | Very low | 63.8 | Low | 63 Ų | 63 | 100 Ų | 100 | 65% | 0.649 | 50% | 0.501 | S | S | * | . | trans | -155.6 | -1.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | R165 | G163-R165 PolarHBondContact O-N 3.19Š| ||
| 164 | F | 51.1 | Low | 66 | Low | 124 Ų | 124 | 92.4 Ų | 92.4 | 54% | 0.544 | 47% | 0.468 | S | S | . | . | trans | -75.2 | 105.6 | -177.1 | -69 | -77.1 | 0 | 0 | 0 | 111.1 | R166 | F164-R166 VanDerWaalsContact C-N 3.34Å; F164-R166 PolarHBondContact O-N 3.17Å | ||
| 165 | R | 63.9 | Low | 68.2 | Low | 201 Ų | 201 | 94 Ų | 94 | 76% | 0.758 | 47% | 0.472 | S | S | * | . | trans | -51.9 | 85.5 | 170.6 | -81.9 | -169.6 | -172.3 | -172.5 | 3.3 | 111.5 | S76 G163 T167 | S76-R165 WeakPolarHBondContact OG-CB 3.44Å; G163-R165 PolarHBondContact O-N 3.19Å; R165-T167 PolarHBondContact O-N 2.96Å | ||
| 166 | R | 79.5 | Confident | 70.8 | Confident | 171 Ų | 171 | 89.6 Ų | 89.6 | 65% | 0.645 | 45% | 0.452 | S | S | * | . | trans | -56.9 | 137.4 | 176.2 | -61.8 | 179.5 | -177.1 | 174.6 | 0.1 | 109.8 | C75 S76 K77 F164 | C75-R166 CarbonylContact C-O 3.59Å; C75-R166 WeakPolarHBondContact CA-O 3.33Å; C75-R166 HydrophobicContact CB-CB 4.1Å; C75-R166 VanDerWaalsContact CB-O 3.31Å; C75-R166 WeakPolarHBondContact CB-O 3.38Å; S76-R166 PolarHBondContact N-O 3.15Å; S76-R166 PolarHBondContact OG-O 3.25Å; K77-R166 PolarHBondContact N-O 2.99Å; F164-R166 VanDerWaalsContact C-N 3.34Å; F164-R166 PolarHBondContact O-N 3.17Å | ||
| 167 | T | 87.2 | Confident | 73.4 | Confident | 31 Ų | 31 | 87 Ų | 87 | 19% | 0.19 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.4 | 170.1 | -60.2 | 0 | 0 | 0 | 0 | 108.3 | K77 L79 F154 R165 I169 | K77-T167 HydrophobicContact CB-CG2 3.88Å; K77-T167 WeakPolarHBondContact O-CA 3.33Å; L79-T167 HydrophobicContact CD1-CG2 4.02Å; L79-T167 HydrophobicContact CG-CG2 3.81Å; F154-T167 HydrophobicContact CE1-CG2 4.32Å; F154-T167 VanDerWaalsContact CE1-OG1 3.27Å; F154-T167 WeakPolarHBondContact CE1-OG1 3.42Å; F154-T167 VanDerWaalsContact CZ-CB 3.43Å; F154-T167 HydrophobicContact CZ-CG2 4.02Å; R165-T167 PolarHBondContact O-N 2.96Å; T167-I169 HydrophobicContact CG2-CG1 4.48Å |
| 168 | L | 90.3 | Very high | 75.9 | Confident | 11 Ų | 11 | 76.2 Ų | 76.2 | 6% | 0.058 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.9 | 176.5 | -174.7 | 143.2 | 0 | 0 | 0 | 108.8 | L73 K77 V78 L79 L112 I114 L170 | L73-L168 HydrophobicContact CD1-CD1 4.36Å; L73-L168 HydrophobicContact CD2-CD1 4.39Å; K77-L168 PolarHBondContact O-N 3.06Å; V78-L168 CarbonylContact C-O 3.5Å; V78-L168 VanDerWaalsContact CA-O 3.26Å; V78-L168 WeakPolarHBondContact CA-O 3.24Å; V78-L168 HydrophobicContact CG1-CD2 4.21Å; V78-L168 HydrophobicContact CG2-CB 4.31Å; V78-L168 HydrophobicContact CG2-CD2 4.49Å; L79-L168 PolarHBondContact N-O 3.38Å; L112-L168 HydrophobicContact CD2-CD1 3.64Å; L112-L168 HydrophobicContact CD2-CD2 4Å; L112-L168 HydrophobicContact CD2-CG 4.48Å; I114-L168 HydrophobicContact CD1-CD1 3.8Å; L168-L170 HydrophobicContact CD2-CD2 3.41Å; L168-L170 VanDerWaalsContact CD2-CD2 3.41Å; L168-L170 HydrophobicContact CD2-CG 4.1Å |
| 169 | I | 93 | Very high | 78.3 | Confident | 38 Ų | 38 | 78.9 Ų | 78.9 | 20% | 0.195 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124 | 178.9 | -50.3 | -176.4 | 0 | 0 | 0 | 108 | L79 E143 T167 | L79-I169 HydrophobicContact CB-CG1 4.34Å; L79-I169 HydrophobicContact CB-CG2 4.32Å; L79-I169 HydrophobicContact CD1-CD1 4.23Å; L79-I169 HydrophobicContact CD1-CG1 4.08Å; L79-I169 HydrophobicContact CG-CG1 4.46Å; E143-I169 HydrophobicContact CB-CB 4.39Å; E143-I169 HydrophobicContact CB-CG2 4.26Å; E143-I169 PolarHBondContact N-O 3.2Å; E143-I169 VanDerWaalsContact OE2-CG2 3.26Å; E143-I169 WeakPolarHBondContact OE2-CG2 3.34Å; T167-I169 HydrophobicContact CG2-CG1 4.48Å |
| 170 | L | 94.8 | Very high | 80.7 | Confident | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 136.3 | 175 | -61.4 | -176.3 | 0 | 0 | 0 | 110.2 | L65 V78 L79 V80 P81 L84 L112 F140 L168 | L65-L170 HydrophobicContact CD1-CD1 3.79Å; L65-L170 HydrophobicContact CD2-CD1 4.05Å; V78-L170 HydrophobicContact CG1-CD1 4.19Å; V78-L170 HydrophobicContact CG1-CG 4.14Å; L79-L170 PolarHBondContact O-N 3.09Å; V80-L170 HydrophobicContact CG1-CD1 4.44Å; V80-L170 HydrophobicContact CG2-CD1 4.02Å; P81-L170 WeakPolarHBondContact CD-O 3.42Å; P81-L170 WeakPolarHBondContact CG-O 3.14Å; L84-L170 HydrophobicContact CD2-CB 4.13Å; L84-L170 HydrophobicContact CD2-CD1 4.31Å; L112-L170 HydrophobicContact CD1-CD2 3.5Å; L112-L170 VanDerWaalsContact CD1-CD2 3.5Å; F140-L170 HydrophobicContact CB-CD2 4.15Å; F140-L170 HydrophobicContact CD1-CD1 3.85Å; F140-L170 HydrophobicContact CE1-CD1 4.22Å; F140-L170 HydrophobicContact CG-CD1 4.28Å; L168-L170 HydrophobicContact CD2-CD2 3.41Å; L168-L170 VanDerWaalsContact CD2-CD2 3.41Å; L168-L170 HydrophobicContact CD2-CG 4.1Å |
| 171 | S | 94 | Very high | 83.3 | Confident | 32 Ų | 32 | 66.4 Ų | 66.4 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 155.9 | 165.9 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | L84 K141 G173 | L84-S171 WeakPolarHBondContact CD2-O 3.36Å; K141-S171 WeakPolarHBondContact O-CB 3.34Å; K141-S171 PolarHBondContact O-N 2.91Å; S171-G173 PolarHBondContact O-N 3.08Å; S171-G173 PolarHBondContact OG-N 3.22Å |
| 172 | S | 94.8 | Very high | 85.2 | Confident | 57 Ų | 57 | 68.4 Ų | 68.4 | 40% | 0.399 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -20.8 | 168.5 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | L84 R87 | L84-S172 VanDerWaalsContact CD1-O 3.29Å; L84-S172 WeakPolarHBondContact CD1-O 3.45Å; R87-S172 PolarHBondContact NH2-O 3.22Å |
| 173 | G | 94.5 | Very high | 86.6 | Confident | 7 Ų | 7 | 65.8 Ų | 65.8 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 142.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S171 | S171-G173 PolarHBondContact O-N 3.08Å; S171-G173 PolarHBondContact OG-N 3.22Å |
| 174 | F | 97 | Very high | 87.9 | Confident | 4 Ų | 4 | 71.4 Ų | 71.4 | 2% | 0.018 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 163.4 | 174.6 | 65.1 | -84.3 | 0 | 0 | 0 | 110.2 | L84 I88 D91 L138 V139 L176 | L84-F174 HydrophobicContact CD1-CD1 3.6Å; L84-F174 HydrophobicContact CD1-CE1 4.21Å; L84-F174 HydrophobicContact CD1-CG 4.44Å; I88-F174 HydrophobicContact CD1-CB 4.33Å; I88-F174 HydrophobicContact CD1-CD1 4.17Å; I88-F174 HydrophobicContact CD1-CD2 4.34Å; I88-F174 HydrophobicContact CD1-CG 4.02Å; I88-F174 HydrophobicContact CG1-CD1 3.76Å; I88-F174 HydrophobicContact CG1-CD2 3.72Å; I88-F174 HydrophobicContact CG1-CE1 3.74Å; I88-F174 HydrophobicContact CG1-CE2 3.7Å; I88-F174 HydrophobicContact CG1-CG 3.74Å; I88-F174 HydrophobicContact CG1-CZ 3.7Å; D91-F174 VanDerWaalsContact OD2-CZ 3.31Å; D91-F174 WeakPolarHBondContact OD2-CZ 3.34Å; L138-F174 HydrophobicContact CD1-CB 4.31Å; L138-F174 HydrophobicContact CD1-CD2 3.86Å; L138-F174 HydrophobicContact CD1-CG 4.42Å; V139-F174 WeakPolarHBondContact O-CA 3.2Å; F174-L176 HydrophobicContact CD2-CB 4.25Å; F174-L176 HydrophobicContact CE2-CB 4.13Å |
| 175 | R | 97.1 | Very high | 88.5 | Confident | 103 Ų | 103 | 72.5 Ų | 72.5 | 39% | 0.389 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.9 | 172.4 | -56.6 | 174 | 70 | 176.2 | 2.9 | 108.9 | L138 V139 | L138-R175 CarbonylContact C-O 3.2Å; L138-R175 WeakPolarHBondContact CA-O 3.11Å; V139-R175 HydrophobicContact CB-CB 4.18Å; V139-R175 PolarHBondContact N-O 2.81Å; V139-R175 PolarHBondContact O-N 2.78Å |
| 176 | L | 98.3 | Very high | 88.4 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 114.7 | 177.1 | -172.1 | 61.3 | 0 | 0 | 0 | 109.1 | D91 V92 L95 L136 T137 L138 F174 I190 | D91-L176 HydrophobicContact CB-CD2 3.82Å; V92-L176 HydrophobicContact CG2-CD1 4.28Å; V92-L176 HydrophobicContact CG2-CD2 3.83Å; L95-L176 HydrophobicContact CD1-CD2 3.55Å; L95-L176 HydrophobicContact CD1-CG 3.7Å; L136-L176 HydrophobicContact CB-CD1 4.16Å; T137-L176 WeakPolarHBondContact O-CA 3.2Å; L138-L176 HydrophobicContact CB-CD1 4.02Å; L138-L176 HydrophobicContact CD1-CD1 4.27Å; F174-L176 HydrophobicContact CD2-CB 4.25Å; F174-L176 HydrophobicContact CE2-CB 4.13Å; L176-I190 PolarHBondContact N-O 3.36Å; L176-I190 PolarHBondContact O-N 3.36Å; L176-I190 VanDerWaalsContact O-O 3.1Å |
| 177 | V | 97.2 | Very high | 88.1 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 17% | 0.17 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.7 | -175.8 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | L136 T137 T187 V189 | L136-V177 CarbonylContact C-O 3.44Å; L136-V177 WeakPolarHBondContact CA-O 3.24Å; T137-V177 PolarHBondContact N-O 3.26Å; T137-V177 PolarHBondContact O-N 2.94Å; V177-T187 HydrophobicContact CG1-CG2 3.83Å; V177-V189 HydrophobicContact CG1-CG2 3.96Å; V177-V189 HydrophobicContact CG2-CG1 4.12Å; V177-V189 HydrophobicContact CG2-CG2 4.26Å |
| 178 | K | 96.6 | Very high | 87.5 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 8% | 0.078 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.8 | 174.8 | -176.7 | 171.5 | 68.3 | 166.3 | 0 | 110.9 | L95 T98 E99 F134 E135 L136 T187 T188 | L95-K178 HydrophobicContact CB-CD 4.46Å; L95-K178 HydrophobicContact CD1-CB 4.45Å; L95-K178 HydrophobicContact CD2-CB 4.31Å; L95-K178 HydrophobicContact CD2-CD 4.43Å; L95-K178 PolarHBondContact O-NZ 2.91Å; T98-K178 PolarHBondContact OG1-NZ 2.83Å; E99-K178 WeakPolarHBondContact OE1-CE 3.22Å; E99-K178 IonicContact OE1-NZ 2.74Å; E99-K178 PolarHBondContact OE1-NZ 2.84Å; F134-K178 HydrophobicContact CD2-CD 3.91Å; F134-K178 HydrophobicContact CD2-CG 3.97Å; F134-K178 HydrophobicContact CE2-CD 4.33Å; E135-K178 WeakPolarHBondContact O-CA 3.36Å; L136-K178 HydrophobicContact CD2-CB 3.62Å; L136-K178 HydrophobicContact CD2-CD 4.31Å; L136-K178 HydrophobicContact CD2-CG 3.84Å; K178-T187 WeakPolarHBondContact O-CG2 3.38Å; K178-T188 PolarHBondContact N-O 3.43Å; K178-T188 PolarHBondContact O-N 3.48Å |
| 179 | K | 95.4 | Very high | 86.7 | Confident | 98 Ų | 98 | 68.6 Ų | 68.6 | 43% | 0.426 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.1 | 174 | -178.6 | -173.6 | 171.9 | -163.7 | 0 | 109.6 | F134 E135 T187 | F134-K179 CarbonylContact C-O 3.51Å; F134-K179 WeakPolarHBondContact CA-O 3.38Å; F134-K179 WeakPolarHBondContact CB-O 3.44Å; E135-K179 PolarHBondContact N-O 3.43Å; E135-K179 PolarHBondContact O-N 2.71Å; E135-K179 IonicContact OE2-NZ 2.84Å; K179-T187 HydrophobicContact CB-CG2 4.46Å |
| 180 | K | 93.8 | Very high | 86.2 | Confident | 99 Ų | 99 | 69.7 Ų | 69.7 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 134.7 | 171.3 | -67.2 | -173 | 170.9 | -173.3 | 0 | 109.6 | E99 | E99-K180 WeakPolarHBondContact OE1-CE 3.4Å; E99-K180 IonicContact OE1-NZ 3.22Å |
| 181 | L | 92.5 | Very high | 85.2 | Confident | 61 Ų | 61 | 76.6 Ų | 76.6 | 32% | 0.319 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -81.2 | -30.1 | 176.3 | -70.3 | 173.1 | 0 | 0 | 0 | 111.6 | P132 T133 E135 | P132-L181 HydrophobicContact CB-CD1 4.05Å; P132-L181 WeakPolarHBondContact O-CD1 3.49Å; T133-L181 WeakPolarHBondContact O-CB 3.35Å; T133-L181 PolarHBondContact O-N 3.18Å; E135-L181 VanDerWaalsContact CD-CD2 3.48Å; E135-L181 HydrophobicContact CG-CD1 3.95Å; E135-L181 HydrophobicContact CG-CD2 3.44Å; E135-L181 VanDerWaalsContact CG-CD2 3.44Å; E135-L181 HydrophobicContact CG-CG 3.71Å |
| 182 | Y | 88.3 | Confident | 84.1 | Confident | 165 Ų | 165 | 75.9 Ų | 75.9 | 65% | 0.647 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -125.7 | 86.1 | -178.7 | -51.5 | -79.6 | 0 | 0 | 0 | 108.4 | P132 | P132-Y182 WeakPolarHBondContact O-CE2 3.46Š|
| 183 | S | 75.7 | Confident | 82.5 | Confident | 67 Ų | 67 | 79.4 Ų | 79.4 | 47% | 0.469 | 44% | 0.436 | S | S | . | . | trans | -146.1 | 151 | 172.7 | -166.6 | 0 | 0 | 0 | 0 | 111.1 | I185 | S183-I185 PolarHBondContact OG-N 3.07Å; S183-I185 PolarHBondContact OG-O 2.85Å; S183-I185 VanDerWaalsContact OG-O 3.06Å | ||
| 184 | L | 71.7 | Confident | 81.9 | Confident | 180 Ų | 180 | 83.1 Ų | 83.1 | 94% | 0.942 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -82.3 | -11.8 | 170.4 | -65.1 | 169.5 | 0 | 0 | 0 | 112.1 | ||
| 185 | I | 63.8 | Low | 81.1 | Confident | 147 Ų | 147 | 87.2 Ų | 87.2 | 75% | 0.754 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -141.3 | 143.2 | -171.9 | -60.9 | 169.7 | 0 | 0 | 0 | 111.3 | S183 | S183-I185 PolarHBondContact OG-N 3.07Å; S183-I185 PolarHBondContact OG-O 2.85Å; S183-I185 VanDerWaalsContact OG-O 3.06Å |
| 186 | G | 61.5 | Low | 80.2 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 75% | 0.753 | 48% | 0.482 | S | S | * | . | trans | -77.4 | -178 | -157 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 187 | T | 72.1 | Confident | 79.1 | Confident | 87 Ų | 87 | 91.3 Ų | 91.3 | 53% | 0.534 | 51% | 0.51 | S | S | . | . | trans | -61.3 | 146.5 | -164.4 | -49 | 0 | 0 | 0 | 0 | 117.7 | V177 K178 K179 | V177-T187 HydrophobicContact CG1-CG2 3.83Å; K178-T187 WeakPolarHBondContact O-CG2 3.38Å; K179-T187 HydrophobicContact CB-CG2 4.46Å | ||
| 188 | T | 74.9 | Confident | 78 | Confident | 75 Ų | 75 | 95.3 Ų | 95.3 | 46% | 0.46 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.8 | 172.9 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | K178 | K178-T188 PolarHBondContact N-O 3.43Å; K178-T188 PolarHBondContact O-N 3.48Å |
| 189 | V | 74.7 | Confident | 76.8 | Confident | 97 Ų | 97 | 100.4 Ų | 100.4 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 127.9 | -179.9 | 176.1 | 0 | 0 | 0 | 0 | 110 | V177 | V177-V189 HydrophobicContact CG1-CG2 3.96Å; V177-V189 HydrophobicContact CG2-CG1 4.12Å; V177-V189 HydrophobicContact CG2-CG2 4.26Å |
| 190 | I | 80.6 | Confident | 75.4 | Confident | 62 Ų | 62 | 100.6 Ų | 100.6 | 32% | 0.318 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.1 | 172 | -55 | -175 | 0 | 0 | 0 | 109.1 | L95 L176 | L95-I190 HydrophobicContact CD1-CD1 4.4Å; L95-I190 HydrophobicContact CD2-CD1 3.52Å; L95-I190 HydrophobicContact CG-CD1 4.19Å; L176-I190 PolarHBondContact N-O 3.36Å; L176-I190 PolarHBondContact O-N 3.36Å; L176-I190 VanDerWaalsContact O-O 3.1Å |
| 191 | E | 75.1 | Confident | 74 | Confident | 146 Ų | 146 | 100.7 Ų | 100.7 | 68% | 0.682 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 115.1 | 175.5 | -172.2 | 161.2 | -153.3 | 0 | 0 | 109.5 | ||
| 192 | G | 70.8 | Confident | 72.5 | Confident | 18 Ų | 18 | 104 Ų | 104 | 19% | 0.186 | 60% | 0.604 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.2 | 123.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 193 | S | 60.6 | Low | 71 | Confident | 131 Ų | 131 | 98.5 Ų | 98.5 | 92% | 0.916 | 60% | 0.6 | S | S | * | * | trans | -84.1 | 0 | 177.9 | 15.1 | 0 | 0 | 0 | 0 | 113.4 | R87 | R87-S193 PolarHBondContact NH1-O 3.18Š|
Retrieved 193 of 193 residues in 107.2 ms
(Link to these results)