| 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 | 32.8 | Very low | 37.2 | Very low | 245 Ų | 245 | 155.1 Ų | 155.1 | 100% | 1.207 | 82% | 0.822 | S | S | * | * | 0 | 96.1 | 0 | -71.1 | 160.3 | 173 | 0 | 0 | 108.3 | |||||
| 2 | R | 33.6 | Very low | 36.6 | Very low | 252 Ų | 252 | 155.9 Ų | 155.9 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | trans | -93.5 | 114.7 | 173.4 | -71.6 | 178.9 | 88.8 | -160.2 | 6.8 | 107 | N4 | R2-N4 PolarHBondContact O-N 3.28Š| ||
| 3 | Q | 36.1 | Very low | 36.7 | Very low | 180 Ų | 180 | 155.6 Ų | 155.6 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | trans | -74.5 | 113.3 | 176.3 | -66.7 | -168.6 | 37.4 | 0 | 0 | 108.7 | C5 | Q3-C5 PolarHBondContact O-N 3.46Š| ||
| 4 | N | 38.1 | Very low | 37 | Very low | 148 Ų | 148 | 156.8 Ų | 156.8 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -82.8 | 98.3 | 169.2 | -177.2 | -1.5 | 0 | 0 | 0 | 107.3 | R2 | R2-N4 PolarHBondContact O-N 3.28Š| ||
| 5 | C | 36.6 | Very low | 36.7 | Very low | 109 Ų | 109 | 157.7 Ų | 157.7 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | trans | -131.2 | 95.4 | 176.2 | -58.5 | 0 | 0 | 0 | 0 | 108 | Q3 | Q3-C5 PolarHBondContact O-N 3.46Š| ||
| 6 | G | 38.8 | Very low | 36.2 | Very low | 66 Ų | 66 | 155.4 Ų | 155.4 | 68% | 0.68 | 82% | 0.818 | S | S | * | * | trans | 169.5 | -9.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | N8 | G6-N8 PolarHBondContact O-N 3.18Š| ||
| 7 | G | 35.4 | Very low | 35.8 | Very low | 63 Ų | 63 | 155 Ų | 155 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -3.2 | -166 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 8 | N | 35.8 | Very low | 36.7 | Very low | 148 Ų | 148 | 151.9 Ų | 151.9 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.5 | 0.7 | -165.9 | -103.1 | -37.9 | 0 | 0 | 0 | 117.2 | G6 | G6-N8 PolarHBondContact O-N 3.18Š|
| 9 | L | 40.8 | Very low | 36.5 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -102.1 | -8.3 | 179.3 | -64.3 | 177.4 | 0 | 0 | 0 | 114.3 | ||
| 10 | M | 43.1 | Very low | 36.7 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 69% | 0.69 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -92.9 | -13.2 | -177 | -81 | -173.9 | 76.3 | 0 | 0 | 115.1 | ||
| 11 | F | 37.7 | Very low | 36.5 | Very low | 184 Ų | 184 | 151.9 Ų | 151.9 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -94.9 | -11.4 | -164.2 | -131.5 | -92.8 | 0 | 0 | 0 | 115.9 | ||
| 12 | N | 30.1 | Very low | 36.6 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -102.2 | 15.4 | -175.3 | -79.6 | -27.6 | 0 | 0 | 0 | 115.3 | ||
| 13 | M | 37.8 | Very low | 36.8 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -108.4 | 0.7 | -176.7 | -159.5 | 177.7 | -73.7 | 0 | 0 | 114.4 | ||
| 14 | Y | 41.5 | Very low | 36.7 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | trans | -104.1 | 103.5 | 179.8 | -99.8 | -89.7 | 0 | 0 | 0 | 110.7 | K40 | Y14-K40 WeakPolarHBondContact OH-CD 2.98Š| ||
| 15 | L | 32.9 | Very low | 36.5 | Very low | 170 Ų | 170 | 144.6 Ų | 144.6 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | 170.6 | 103.1 | 136.1 | -97.4 | 144.6 | 0 | 0 | 0 | 110.2 | ||||
| 16 | S | 28.7 | Very low | 37.5 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -175.7 | 119.6 | 134.3 | -76.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 17 | D | 29 | Very low | 37.3 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | trans | -114.6 | 169.6 | 158.9 | -115 | -36.3 | 0 | 0 | 0 | 106.3 | ||||
| 18 | P | 51.8 | Low | 37.3 | Very low | 99 Ų | 99 | 151.5 Ų | 151.5 | 64% | 0.643 | 80% | 0.795 | S | S | * | * | cis | -130.2 | 165.9 | -13.3 | 36.1 | -19.3 | 0 | 0 | 0 | 112 | ||||
| 19 | T | 32.3 | Very low | 37.6 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | 174.8 | 124.4 | 135 | 27.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 20 | E | 40.3 | Very low | 37.4 | Very low | 157 Ų | 157 | 144.8 Ų | 144.8 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | 38.6 | 124.3 | 146.3 | -57.8 | -67.2 | 122.2 | 0 | 0 | 118.6 | ||||
| 21 | N | 33.1 | Very low | 37.6 | Very low | 169 Ų | 169 | 145 Ų | 145 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | -168 | 126 | 115 | -95.8 | -60 | 0 | 0 | 0 | 113.3 | |||||
| 22 | L | 34.7 | Very low | 37.7 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | trans | -67.9 | 138.7 | 179.2 | -176.2 | 72.8 | 0 | 0 | 0 | 113 | ||||
| 23 | L | 38.1 | Very low | 38.2 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | 32.1 | 125.5 | 152 | -61.8 | 164.2 | 0 | 0 | 0 | 119.6 | ||||
| 24 | K | 34.1 | Very low | 38.8 | Very low | 197 Ų | 197 | 134.9 Ų | 134.9 | 86% | 0.857 | 74% | 0.742 | S | S | * | * | 171 | 119 | 106 | -165.1 | 166 | -174.6 | 178.4 | 0 | 113.6 | |||||
| 25 | E | 33.7 | Very low | 39.2 | Very low | 179 Ų | 179 | 132.4 Ų | 132.4 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | 35.8 | 131.3 | 144.8 | -155.1 | 155.6 | 78.5 | 0 | 0 | 124.9 | ||||
| 26 | S | 58.1 | Low | 40 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 71% | 0.71 | S | S | * | * | trans | -37 | 129 | 161.7 | 164.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 27 | K | 34.7 | Very low | 40.8 | Very low | 206 Ų | 206 | 123.2 Ų | 123.2 | 90% | 0.896 | 70% | 0.698 | S | S | * | * | trans | -157.6 | 134.1 | 131.1 | -77.5 | -152.2 | 179.5 | 175.1 | 0 | 111.7 | ||||
| 28 | G | 34.3 | Very low | 41.8 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | trans | 86.9 | 116.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115 | S30 | G28-S30 PolarHBondContact O-N 2.94Š| ||
| 29 | A | 43.8 | Very low | 41.7 | Very low | 89 Ų | 89 | 121 Ų | 121 | 74% | 0.736 | 68% | 0.679 | S | S | * | * | trans | -71.8 | 65.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | W31 | A29-W31 PolarHBondContact O-N 2.76Š| ||
| 30 | S | 36 | Very low | 42.4 | Very low | 90 Ų | 90 | 122.1 Ų | 122.1 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | trans | -75.7 | 112.4 | 158.7 | -175.5 | 0 | 0 | 0 | 0 | 106.1 | G28 S32 | G28-S30 PolarHBondContact O-N 2.94Å; S30-S32 PolarHBondContact O-N 3.23Å; S30-S32 PolarHBondContact OG-OG 3Å | ||
| 31 | W | 46.4 | Very low | 43.1 | Very low | 143 Ų | 143 | 117.3 Ų | 117.3 | 54% | 0.542 | 67% | 0.665 | S | S | . | * | trans | -71.7 | 67.6 | 165.6 | -68.2 | 90 | 0 | 0 | 0 | 108 | A29 A102 | A29-W31 PolarHBondContact O-N 2.76Å; W31-A102 HydrophobicContact CH2-CB 3.74Å; W31-A102 HydrophobicContact CZ2-CB 3.65Å | ||
| 32 | S | 39.5 | Very low | 44.5 | Very low | 65 Ų | 65 | 111.2 Ų | 111.2 | 46% | 0.455 | 64% | 0.636 | S | S | . | * | trans | -72 | 141.1 | 172.6 | -59.8 | 0 | 0 | 0 | 0 | 108.6 | S30 I34 | S30-S32 PolarHBondContact O-N 3.23Å; S30-S32 PolarHBondContact OG-OG 3Å; S32-I34 PolarHBondContact O-N 2.95Å; S32-I34 VanDerWaalsContact O-N 3.07Å | ||
| 33 | P | 40.5 | Very low | 46.2 | Very low | 131 Ų | 131 | 106.7 Ų | 106.7 | 85% | 0.851 | 62% | 0.623 | S | S | * | * | trans | -70.3 | 105.9 | 172.2 | 28.7 | -28.5 | 0 | 0 | 0 | 107.1 | ||||
| 34 | I | 50.9 | Low | 48.5 | Very low | 93 Ų | 93 | 104.8 Ų | 104.8 | 48% | 0.477 | 61% | 0.61 | S | S | . | * | trans | -112.5 | 124.4 | 176.5 | -58 | 174.8 | 0 | 0 | 0 | 110.4 | S32 | S32-I34 PolarHBondContact O-N 2.95Å; S32-I34 VanDerWaalsContact O-N 3.07Å | ||
| 35 | N | 49.5 | Very low | 51.2 | Low | 120 Ų | 120 | 96 Ų | 96 | 64% | 0.642 | 57% | 0.572 | S | S | * | * | trans | -1.5 | 119.4 | 161.3 | -158 | 20.9 | 0 | 0 | 0 | 116.4 | G37 | N35-G37 PolarHBondContact O-N 3.22Š| ||
| 36 | T | 49.5 | Very low | 54.1 | Low | 42 Ų | 42 | 89.4 Ų | 89.4 | 26% | 0.258 | 54% | 0.541 | S | S | . | . | trans | -79.3 | 46.5 | -178.9 | 43 | 0 | 0 | 0 | 0 | 113.3 | V38 V132 | T36-V38 PolarHBondContact O-N 3.27Å; T36-V132 WeakPolarHBondContact CG2-O 3.33Å | ||
| 37 | G | 46.3 | Very low | 55.9 | Low | 58 Ų | 58 | 84.4 Ų | 84.4 | 60% | 0.598 | 51% | 0.506 | S | S | * | . | trans | -87.7 | 91.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | N35 Q39 | N35-G37 PolarHBondContact O-N 3.22Å; G37-Q39 PolarHBondContact O-N 3.46Å | ||
| 38 | V | 51.2 | Low | 58.8 | Low | 71 Ų | 71 | 75.1 Ų | 75.1 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | trans | -80.8 | 96.4 | -171.8 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | T36 | T36-V38 PolarHBondContact O-N 3.27Š| ||
| 39 | Q | 49.6 | Very low | 61.7 | Low | 129 Ų | 129 | 72.9 Ų | 72.9 | 60% | 0.603 | 44% | 0.436 | S | S | * | . | trans | -81.5 | 118.3 | 165.1 | -59.3 | -66.3 | 50 | 0 | 0 | 109.7 | G37 G41 S42 | G37-Q39 PolarHBondContact O-N 3.46Å; Q39-G41 PolarHBondContact O-N 3.1Å; Q39-G41 VanDerWaalsContact O-N 3.13Å; Q39-S42 PolarHBondContact O-N 2.85Å; Q39-S42 VanDerWaalsContact O-N 3.08Å | ||
| 40 | K | 46.6 | Very low | 64.3 | Low | 153 Ų | 153 | 68.7 Ų | 68.7 | 67% | 0.665 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 114 | 177.5 | -150.5 | -178.7 | -170.8 | -174.3 | 0 | 108.8 | Y14 | Y14-K40 WeakPolarHBondContact OH-CD 2.98Š|
| 41 | G | 54.9 | Low | 67.2 | Low | 56 Ų | 56 | 64.4 Ų | 64.4 | 58% | 0.577 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.6 | 1.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q39 | Q39-G41 PolarHBondContact O-N 3.1Å; Q39-G41 VanDerWaalsContact O-N 3.13Å |
| 42 | S | 61.3 | Low | 69.6 | Low | 41 Ų | 41 | 59.9 Ų | 59.9 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | trans | -70 | 136 | 171.7 | 170 | 0 | 0 | 0 | 0 | 111.4 | Q39 Q44 I45 | Q39-S42 PolarHBondContact O-N 2.85Å; Q39-S42 VanDerWaalsContact O-N 3.08Å; S42-Q44 PolarHBondContact O-N 3.41Å; S42-Q44 VanDerWaalsContact OG-CB 3.25Å; S42-Q44 WeakPolarHBondContact OG-CB 3.12Å; S42-Q44 PolarHBondContact OG-N 2.94Å; S42-Q44 VanDerWaalsContact OG-N 3.08Å; S42-I45 WeakPolarHBondContact O-CG2 3.12Å; S42-I45 PolarHBondContact O-N 3.01Å; S42-I45 VanDerWaalsContact O-N 3.15Å | ||
| 43 | G | 70.3 | Confident | 72.2 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 45% | 0.454 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -5.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K89 | G43-K89 WeakPolarHBondContact O-CD 3.35Å; G43-K89 WeakPolarHBondContact O-CE 3.47Å; G43-K89 PolarHBondContact O-NZ 3.39Å |
| 44 | Q | 86.4 | Confident | 74.9 | Confident | 117 Ų | 117 | 53.6 Ų | 53.6 | 55% | 0.547 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 0.4 | 175.9 | -164.9 | 167.4 | -9.5 | 0 | 0 | 114.2 | S42 | S42-Q44 PolarHBondContact O-N 3.41Å; S42-Q44 VanDerWaalsContact OG-CB 3.25Å; S42-Q44 WeakPolarHBondContact OG-CB 3.12Å; S42-Q44 PolarHBondContact OG-N 2.94Å; S42-Q44 VanDerWaalsContact OG-N 3.08Å |
| 45 | I | 91.6 | Very high | 77.1 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | trans | -59.4 | 143.7 | 176.3 | -169 | 169 | 0 | 0 | 0 | 112.2 | S42 Q49 F50 E53 W85 R88 K89 | S42-I45 WeakPolarHBondContact O-CG2 3.12Å; S42-I45 PolarHBondContact O-N 3.01Å; S42-I45 VanDerWaalsContact O-N 3.15Å; I45-Q49 HydrophobicContact CD1-CB 4.04Å; I45-Q49 HydrophobicContact CG1-CB 3.69Å; I45-F50 HydrophobicContact CD1-CB 3.99Å; I45-F50 HydrophobicContact CG1-CB 4.28Å; I45-E53 WeakPolarHBondContact CD1-OE2 3.37Å; I45-W85 HydrophobicContact CG2-CZ3 4.01Å; I45-W85 WeakPolarHBondContact O-CH2 3.48Å; I45-R88 HydrophobicContact CG2-CG 3.48Å; I45-R88 VanDerWaalsContact CG2-CG 3.48Å; I45-K89 PolarHBondContact O-NZ 2.93Å | ||
| 46 | Q | 94.2 | Very high | 79.2 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | trans | -87.4 | 155.7 | 173.1 | -62.8 | 179.1 | 57 | 0 | 0 | 111.2 | W48 Q49 F50 | Q46-W48 VanDerWaalsContact C-N 3.34Å; Q46-W48 PolarHBondContact O-N 2.85Å; Q46-Q49 HydrophobicContact CB-CG 4.34Å; Q46-Q49 WeakPolarHBondContact O-CB 3.14Å; Q46-Q49 PolarHBondContact O-N 3.01Å; Q46-Q49 VanDerWaalsContact O-N 3.16Å; Q46-F50 PolarHBondContact O-N 3.09Å | ||
| 47 | L | 96.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.3 | -42.3 | -176.8 | 176.8 | 61.2 | 0 | 0 | 0 | 112.2 | Q49 F50 L51 W85 L99 A102 L103 Y106 | L47-Q49 VanDerWaalsContact C-N 3.3Å; L47-Q49 PolarHBondContact O-N 2.9Å; L47-F50 HydrophobicContact CD1-CD1 4.14Å; L47-F50 PolarHBondContact O-N 2.91Å; L47-L51 HydrophobicContact CD1-CD1 4.35Å; L47-L51 HydrophobicContact CD1-CD2 4.39Å; L47-L51 HydrophobicContact CD1-CG 4.09Å; L47-L51 HydrophobicContact CG-CD1 4.29Å; L47-L51 HydrophobicContact CG-CG 4.44Å; L47-L51 VanDerWaalsContact O-CG 3.32Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 2.89Å; L47-W85 HydrophobicContact CB-CH2 4.05Å; L47-W85 HydrophobicContact CB-CZ2 3.87Å; L47-W85 HydrophobicContact CD1-CD2 3.84Å; L47-W85 HydrophobicContact CD1-CE3 4.19Å; L47-W85 HydrophobicContact CD1-CG 4.09Å; L47-W85 HydrophobicContact CD1-CZ2 4.35Å; L47-L99 HydrophobicContact CD1-CD1 4.13Å; L47-L99 HydrophobicContact CD1-CG 4.16Å; L47-L99 HydrophobicContact CD2-CD2 4.45Å; L47-L99 HydrophobicContact CD2-CG 4.14Å; L47-A102 HydrophobicContact CD2-CB 3.6Å; L47-L103 HydrophobicContact CD2-CD2 3.55Å; L47-L103 HydrophobicContact CD2-CG 4.04Å; L47-L103 HydrophobicContact CG-CD2 4.03Å; L47-Y106 HydrophobicContact CB-CE2 4.08Å; L47-Y106 HydrophobicContact CD2-CE2 4.3Å; L47-Y106 HydrophobicContact CG-CE2 4.3Å; L47-Y106 PolarHBondContact N-OH 2.89Å |
| 48 | W | 96.3 | Very high | 83.5 | Confident | 11 Ų | 11 | 51 Ų | 51 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 178.5 | 71 | -95.9 | 0 | 0 | 0 | 112.4 | Q46 L52 Y106 I111 M112 F124 L129 V132 | Q46-W48 VanDerWaalsContact C-N 3.34Å; Q46-W48 PolarHBondContact O-N 2.85Å; W48-L52 HydrophobicContact CE3-CD1 3.73Å; W48-L52 HydrophobicContact CZ3-CD1 3.8Å; W48-L52 WeakPolarHBondContact O-CG 3.31Å; W48-L52 PolarHBondContact O-N 3.17Å; W48-L52 VanDerWaalsContact O-N 3.15Å; W48-Y106 HydrophobicContact CB-CE2 3.92Å; W48-Y106 AromaticContact CD1-CZ 3.89Å; W48-Y106 PolarHBondContact N-OH 3.42Å; W48-I111 HydrophobicContact CB-CG2 3.82Å; W48-I111 HydrophobicContact CG-CG2 4.13Å; W48-M112 HydrophobicContact CB-CE 4.18Å; W48-F124 HydrophobicContact CB-CE1 4.19Å; W48-L129 HydrophobicContact CD2-CD2 3.99Å; W48-L129 HydrophobicContact CE3-CD2 3.45Å; W48-L129 VanDerWaalsContact CE3-CD2 3.45Å; W48-L129 HydrophobicContact CZ3-CD2 3.76Å; W48-V132 HydrophobicContact CZ2-CG1 3.71Å |
| 49 | Q | 95.5 | Very high | 85.5 | Confident | 24 Ų | 24 | 51 Ų | 51 | 11% | 0.112 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.7 | -44.7 | 176.4 | -64.6 | 172.6 | -47.6 | 0 | 0 | 111 | I45 Q46 L47 L51 L52 E53 | I45-Q49 HydrophobicContact CD1-CB 4.04Å; I45-Q49 HydrophobicContact CG1-CB 3.69Å; Q46-Q49 HydrophobicContact CB-CG 4.34Å; Q46-Q49 WeakPolarHBondContact O-CB 3.14Å; Q46-Q49 PolarHBondContact O-N 3.01Å; Q46-Q49 VanDerWaalsContact O-N 3.16Å; L47-Q49 VanDerWaalsContact C-N 3.3Å; L47-Q49 PolarHBondContact O-N 2.9Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-L51 PolarHBondContact O-N 2.9Å; Q49-L52 PolarHBondContact O-N 3.2Å; Q49-E53 PolarHBondContact O-N 3.28Å |
| 50 | F | 97.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 177.3 | 168.9 | -101.6 | 0 | 0 | 0 | 112.2 | I45 Q46 L47 E53 L54 V81 R84 W85 R88 | I45-F50 HydrophobicContact CD1-CB 3.99Å; I45-F50 HydrophobicContact CG1-CB 4.28Å; Q46-F50 PolarHBondContact O-N 3.09Å; L47-F50 HydrophobicContact CD1-CD1 4.14Å; L47-F50 PolarHBondContact O-N 2.91Å; F50-E53 WeakPolarHBondContact O-CB 3.21Å; F50-E53 PolarHBondContact O-N 3.1Å; F50-L54 HydrophobicContact CD1-CD1 4.36Å; F50-L54 HydrophobicContact CE1-CD1 3.61Å; F50-L54 HydrophobicContact CE1-CG 4.24Å; F50-L54 HydrophobicContact CE2-CD1 4.29Å; F50-L54 HydrophobicContact CE2-CD2 4.26Å; F50-L54 HydrophobicContact CE2-CG 4.19Å; F50-L54 HydrophobicContact CZ-CD1 3.57Å; F50-L54 HydrophobicContact CZ-CD2 4.25Å; F50-L54 HydrophobicContact CZ-CG 3.98Å; F50-L54 PolarHBondContact O-N 3.49Å; F50-V81 HydrophobicContact CE1-CG1 4.5Å; F50-R84 HydrophobicContact CZ-CB 3.84Å; F50-W85 HydrophobicContact CB-CE3 3.83Å; F50-W85 HydrophobicContact CB-CZ3 3.58Å; F50-W85 HydrophobicContact CD1-CB 4.29Å; F50-W85 HydrophobicContact CD1-CD2 4.22Å; F50-W85 AromaticContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CE3 3.49Å; F50-W85 VanDerWaalsContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CZ3 4.16Å; F50-W85 HydrophobicContact CD2-CE3 4.04Å; F50-W85 HydrophobicContact CD2-CZ3 4.39Å; F50-W85 HydrophobicContact CE1-CB 3.72Å; F50-W85 HydrophobicContact CE1-CE3 4.01Å; F50-W85 HydrophobicContact CE1-CG 4.45Å; F50-W85 HydrophobicContact CE2-CE3 4.49Å; F50-W85 AromaticContact CG-CE3 3.49Å; F50-W85 HydrophobicContact CG-CE3 3.49Å; F50-W85 VanDerWaalsContact CG-CE3 3.49Å; F50-W85 AromaticContact CG-CZ3 3.79Å; F50-W85 HydrophobicContact CG-CZ3 3.79Å; F50-W85 HydrophobicContact CZ-CB 4.16Å; F50-W85 HydrophobicContact CZ-CE3 4.47Å; F50-R88 HydrophobicContact CD2-CB 4.33Å; F50-R88 HydrophobicContact CD2-CG 4.07Å; F50-R88 HydrophobicContact CE2-CB 4.14Å; F50-R88 HydrophobicContact CE2-CG 4.34Å |
| 51 | L | 97.5 | Very high | 90 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 176.7 | -68 | 178.1 | 0 | 0 | 0 | 111.9 | L47 Q49 E53 L54 L55 I64 F73 L75 V81 L103 M112 F124 | L47-L51 HydrophobicContact CD1-CD1 4.35Å; L47-L51 HydrophobicContact CD1-CD2 4.39Å; L47-L51 HydrophobicContact CD1-CG 4.09Å; L47-L51 HydrophobicContact CG-CD1 4.29Å; L47-L51 HydrophobicContact CG-CG 4.44Å; L47-L51 VanDerWaalsContact O-CG 3.32Å; L47-L51 WeakPolarHBondContact O-CG 3.39Å; L47-L51 PolarHBondContact O-N 2.89Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-L51 PolarHBondContact O-N 2.9Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 3.15Å; L51-L54 PolarHBondContact O-N 2.99Å; L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.42Å; L51-L55 WeakPolarHBondContact O-CD1 3.37Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 2.97Å; L51-L55 PolarHBondContact O-N 2.97Å; L51-I64 HydrophobicContact CB-CD1 4.46Å; L51-I64 HydrophobicContact CD2-CD1 3.8Å; L51-F73 HydrophobicContact CD1-CE2 4.26Å; L51-F73 HydrophobicContact CD1-CZ 4.07Å; L51-L75 HydrophobicContact CD2-CD2 4.39Å; L51-V81 HydrophobicContact CD2-CG1 3.84Å; L51-L103 HydrophobicContact CD1-CD2 3.59Å; L51-M112 HydrophobicContact CD1-CE 4.2Å; L51-F124 HydrophobicContact CB-CZ 4.2Å |
| 52 | L | 96 | Very high | 91.9 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 25% | 0.251 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 173.8 | -72.7 | 174.7 | 0 | 0 | 0 | 112.1 | W48 Q49 L55 S56 W66 F124 | W48-L52 HydrophobicContact CE3-CD1 3.73Å; W48-L52 HydrophobicContact CZ3-CD1 3.8Å; W48-L52 WeakPolarHBondContact O-CG 3.31Å; W48-L52 PolarHBondContact O-N 3.17Å; W48-L52 VanDerWaalsContact O-N 3.15Å; Q49-L52 PolarHBondContact O-N 3.2Å; L52-L55 CarbonylContact O-C 3.42Å; L52-L55 PolarHBondContact O-N 2.99Å; L52-S56 WeakPolarHBondContact O-CB 3.47Å; L52-S56 PolarHBondContact O-N 3.32Å; L52-W66 HydrophobicContact CD2-CH2 3.78Å; L52-W66 HydrophobicContact CD2-CZ2 4.06Å; L52-F124 HydrophobicContact CD1-CE1 4.49Å; L52-F124 HydrophobicContact CD2-CD2 3.96Å; L52-F124 HydrophobicContact CD2-CE1 4.29Å; L52-F124 HydrophobicContact CD2-CE2 3.55Å; L52-F124 HydrophobicContact CD2-CG 4.5Å; L52-F124 HydrophobicContact CD2-CZ 3.73Å; L52-F124 HydrophobicContact CG-CE1 4.13Å; L52-F124 HydrophobicContact CG-CE2 4.07Å; L52-F124 HydrophobicContact CG-CZ 3.7Å |
| 53 | E | 95.6 | Very high | 93.6 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 175.3 | -172.6 | -171.8 | 128.3 | 0 | 0 | 110.7 | I45 Q49 F50 L51 L55 S56 R88 | I45-E53 WeakPolarHBondContact CD1-OE2 3.37Å; Q49-E53 PolarHBondContact O-N 3.28Å; F50-E53 WeakPolarHBondContact O-CB 3.21Å; F50-E53 PolarHBondContact O-N 3.1Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 3.15Å; E53-L55 VanDerWaalsContact C-N 3.32Å; E53-L55 PolarHBondContact O-N 3.48Å; E53-S56 PolarHBondContact O-N 2.87Å; E53-S56 PolarHBondContact O-OG 2.81Å; E53-R88 VanDerWaalsContact CD-NH1 3.31Å; E53-R88 IonicContact OE1-CZ 3.32Å; E53-R88 IonicContact OE1-NH1 2.97Å; E53-R88 PolarHBondContact OE1-NH1 3.18Å; E53-R88 IonicContact OE1-NH2 2.94Å; E53-R88 PolarHBondContact OE1-NH2 3.35Å; E53-R88 IonicContact OE2-CZ 3.96Å; E53-R88 IonicContact OE2-NH1 2.92Å; E53-R88 PolarHBondContact OE2-NH1 3.22Å |
| 54 | L | 96.5 | Very high | 94.9 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -43 | 176.4 | -66.8 | -176 | 0 | 0 | 0 | 111.9 | F50 L51 S56 D57 N60 I64 V81 | F50-L54 HydrophobicContact CD1-CD1 4.36Å; F50-L54 HydrophobicContact CE1-CD1 3.61Å; F50-L54 HydrophobicContact CE1-CG 4.24Å; F50-L54 HydrophobicContact CE2-CD1 4.29Å; F50-L54 HydrophobicContact CE2-CD2 4.26Å; F50-L54 HydrophobicContact CE2-CG 4.19Å; F50-L54 HydrophobicContact CZ-CD1 3.57Å; F50-L54 HydrophobicContact CZ-CD2 4.25Å; F50-L54 HydrophobicContact CZ-CG 3.98Å; F50-L54 PolarHBondContact O-N 3.49Å; L51-L54 PolarHBondContact O-N 2.99Å; L54-S56 VanDerWaalsContact C-N 3.25Å; L54-S56 PolarHBondContact O-N 3.13Å; L54-D57 PolarHBondContact O-N 3.11Å; L54-N60 WeakPolarHBondContact O-CB 3.37Å; L54-N60 PolarHBondContact O-ND2 2.96Å; L54-I64 HydrophobicContact CB-CG2 3.58Å; L54-I64 HydrophobicContact CD1-CG2 4Å; L54-I64 HydrophobicContact CG-CG2 4.44Å; L54-V81 HydrophobicContact CD1-CG1 4.34Å |
| 55 | L | 96.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69.7 | -18.3 | 179.9 | -79.9 | 167 | 0 | 0 | 0 | 114 | L51 L52 E53 D57 I64 A65 W66 F73 F124 | L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.42Å; L51-L55 WeakPolarHBondContact O-CD1 3.37Å; L51-L55 VanDerWaalsContact O-CG 3.26Å; L51-L55 WeakPolarHBondContact O-CG 2.97Å; L51-L55 PolarHBondContact O-N 2.97Å; L52-L55 CarbonylContact O-C 3.42Å; L52-L55 PolarHBondContact O-N 2.99Å; E53-L55 VanDerWaalsContact C-N 3.32Å; E53-L55 PolarHBondContact O-N 3.48Å; L55-D57 VanDerWaalsContact C-N 3.31Å; L55-I64 HydrophobicContact CD1-CD1 4.03Å; L55-I64 HydrophobicContact CD1-CG1 4.48Å; L55-I64 HydrophobicContact CD2-CD1 4.14Å; L55-I64 HydrophobicContact CD2-CG1 3.71Å; L55-I64 HydrophobicContact CG-CD1 3.77Å; L55-I64 HydrophobicContact CG-CG1 3.91Å; L55-A65 VanDerWaalsContact CD2-C 3.43Å; L55-W66 HydrophobicContact CB-CD2 4.46Å; L55-W66 HydrophobicContact CB-CH2 4.45Å; L55-W66 HydrophobicContact CB-CZ2 3.62Å; L55-W66 HydrophobicContact CD1-CD2 4.36Å; L55-W66 HydrophobicContact CD1-CE3 4.33Å; L55-W66 HydrophobicContact CD1-CH2 3.71Å; L55-W66 HydrophobicContact CD1-CZ2 3.73Å; L55-W66 HydrophobicContact CD1-CZ3 4.01Å; L55-W66 HydrophobicContact CD2-CD2 3.9Å; L55-W66 HydrophobicContact CD2-CE3 4.42Å; L55-W66 HydrophobicContact CD2-CG 4.03Å; L55-W66 HydrophobicContact CD2-CZ2 4.44Å; L55-W66 HydrophobicContact CG-CD2 4.48Å; L55-W66 HydrophobicContact CG-CZ2 4.13Å; L55-W66 PolarHBondContact O-NE1 2.77Å; L55-F73 HydrophobicContact CD1-CB 3.91Å; L55-F73 HydrophobicContact CD1-CD1 4.17Å; L55-F73 HydrophobicContact CD1-CD2 4.03Å; L55-F73 HydrophobicContact CD1-CG 3.78Å; L55-F73 HydrophobicContact CD2-CB 3.95Å; L55-F124 HydrophobicContact CD1-CE2 3.93Å |
| 56 | S | 94.7 | Very high | 95.7 | Very high | 75 Ų | 75 | 41 Ų | 41 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -75.4 | -22.3 | 178.1 | 73.1 | 0 | 0 | 0 | 0 | 113.1 | L52 E53 L54 | L52-S56 WeakPolarHBondContact O-CB 3.47Å; L52-S56 PolarHBondContact O-N 3.32Å; E53-S56 PolarHBondContact O-N 2.87Å; E53-S56 PolarHBondContact O-OG 2.81Å; L54-S56 VanDerWaalsContact C-N 3.25Å; L54-S56 PolarHBondContact O-N 3.13Å |
| 57 | D | 93.8 | Very high | 95.7 | Very high | 80 Ų | 80 | 42.5 Ų | 42.5 | 43% | 0.428 | 24% | 0.24 | S | C | . | . | trans | -110.6 | 119 | -179.9 | -178.4 | 1.2 | 0 | 0 | 0 | 110.9 | L54 L55 A59 N60 | L54-D57 PolarHBondContact O-N 3.11Å; L55-D57 VanDerWaalsContact C-N 3.31Å; D57-A59 PolarHBondContact O-N 2.74Å; D57-A59 VanDerWaalsContact O-N 3.15Å; D57-A59 VanDerWaalsContact OD1-CB 3.32Å; D57-A59 WeakPolarHBondContact OD1-CB 3.3Å; D57-A59 PolarHBondContact OD1-N 2.97Å; D57-N60 PolarHBondContact O-N 3.41Å; D57-N60 VanDerWaalsContact O-N 3.1Å | ||
| 58 | S | 91.1 | Very high | 95.3 | Very high | 91 Ų | 91 | 45.7 Ų | 45.7 | 64% | 0.636 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -61.8 | -19.7 | 178.4 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | N60 M61 | S58-N60 PolarHBondContact O-N 3.37Å; S58-M61 VanDerWaalsContact O-CB 3.31Å; S58-M61 WeakPolarHBondContact O-CB 3.4Å; S58-M61 WeakPolarHBondContact O-CG 3.32Å; S58-M61 PolarHBondContact O-N 3.42Å |
| 59 | A | 94.4 | Very high | 94.9 | Very high | 73 Ų | 73 | 49.4 Ų | 49.4 | 60% | 0.603 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -63.1 | -20.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | D57 M61 | D57-A59 PolarHBondContact O-N 2.74Å; D57-A59 VanDerWaalsContact O-N 3.15Å; D57-A59 VanDerWaalsContact OD1-CB 3.32Å; D57-A59 WeakPolarHBondContact OD1-CB 3.3Å; D57-A59 PolarHBondContact OD1-N 2.97Å; A59-M61 VanDerWaalsContact C-N 3.33Å |
| 60 | N | 94.6 | Very high | 94.6 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.118 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -88.2 | 3.1 | 178.7 | -58.5 | -51.3 | 0 | 0 | 0 | 114 | L54 D57 S58 S62 C63 I64 R84 | L54-N60 WeakPolarHBondContact O-CB 3.37Å; L54-N60 PolarHBondContact O-ND2 2.96Å; D57-N60 PolarHBondContact O-N 3.41Å; D57-N60 VanDerWaalsContact O-N 3.1Å; S58-N60 PolarHBondContact O-N 3.37Å; N60-S62 PolarHBondContact O-N 3.33Å; N60-C63 PolarHBondContact O-N 3.49Å; N60-C63 PolarHBondContact O-SG 3.35Å; N60-I64 CarbonylContact C-O 3.55Å; N60-I64 HydrophobicContact CB-CG2 4.3Å; N60-I64 PolarHBondContact O-N 2.94Å; N60-I64 VanDerWaalsContact O-O 3.08Å; N60-R84 PolarHBondContact OD1-NH1 2.88Å |
| 61 | M | 94.5 | Very high | 94.5 | Very high | 115 Ų | 115 | 54.9 Ų | 54.9 | 57% | 0.567 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.5 | -177.2 | -77.8 | 179.4 | 68.7 | 0 | 0 | 114.5 | S58 A59 C63 I64 A65 I76 | S58-M61 VanDerWaalsContact O-CB 3.31Å; S58-M61 WeakPolarHBondContact O-CB 3.4Å; S58-M61 WeakPolarHBondContact O-CG 3.32Å; S58-M61 PolarHBondContact O-N 3.42Å; A59-M61 VanDerWaalsContact C-N 3.33Å; M61-C63 VanDerWaalsContact C-N 3.34Å; M61-I64 WeakPolarHBondContact CA-O 3.25Å; M61-A65 HydrophobicContact CG-CB 4.28Å; M61-I76 WeakPolarHBondContact O-CD1 3.32Å |
| 62 | S | 96.3 | Very high | 94.5 | Very high | 69 Ų | 69 | 55.6 Ų | 55.6 | 48% | 0.483 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -32.7 | 172.8 | 58 | 0 | 0 | 0 | 0 | 112.5 | N60 I76 | N60-S62 PolarHBondContact O-N 3.33Å; S62-I76 WeakPolarHBondContact O-CB 3.42Å; S62-I76 WeakPolarHBondContact O-CG2 3.43Å |
| 63 | C | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -30.8 | -176.9 | 68.1 | 0 | 0 | 0 | 0 | 114 | N60 M61 I76 E77 E80 V81 | N60-C63 PolarHBondContact O-N 3.49Å; N60-C63 PolarHBondContact O-SG 3.35Å; M61-C63 VanDerWaalsContact C-N 3.34Å; C63-I76 PolarHBondContact O-N 2.74Å; C63-E77 HydrophobicContact CB-CB 4.08Å; C63-E77 PolarHBondContact O-N 2.94Å; C63-E77 VanDerWaalsContact O-N 3.11Å; C63-E80 HydrophobicContact CB-CB 4.08Å; C63-E80 HydrophobicContact CB-CG 3.81Å; C63-V81 HydrophobicContact CB-CG2 4.08Å; C63-V81 WeakPolarHBondContact O-CG2 3.43Å |
| 64 | I | 98.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 135.3 | 178.5 | -174.9 | 173.2 | 0 | 0 | 0 | 110.7 | L51 L54 L55 N60 M61 F73 K74 L75 V81 | L51-I64 HydrophobicContact CB-CD1 4.46Å; L51-I64 HydrophobicContact CD2-CD1 3.8Å; L54-I64 HydrophobicContact CB-CG2 3.58Å; L54-I64 HydrophobicContact CD1-CG2 4Å; L54-I64 HydrophobicContact CG-CG2 4.44Å; L55-I64 HydrophobicContact CD1-CD1 4.03Å; L55-I64 HydrophobicContact CD1-CG1 4.48Å; L55-I64 HydrophobicContact CD2-CD1 4.14Å; L55-I64 HydrophobicContact CD2-CG1 3.71Å; L55-I64 HydrophobicContact CG-CD1 3.77Å; L55-I64 HydrophobicContact CG-CG1 3.91Å; N60-I64 CarbonylContact C-O 3.55Å; N60-I64 HydrophobicContact CB-CG2 4.3Å; N60-I64 PolarHBondContact O-N 2.94Å; N60-I64 VanDerWaalsContact O-O 3.08Å; M61-I64 WeakPolarHBondContact CA-O 3.25Å; I64-F73 HydrophobicContact CD1-CD2 3.94Å; I64-F73 HydrophobicContact CD1-CE2 4.12Å; I64-F73 HydrophobicContact CG1-CD2 4.17Å; I64-K74 WeakPolarHBondContact CA-O 3.35Å; I64-L75 HydrophobicContact CB-CD2 4.37Å; I64-L75 HydrophobicContact CD1-CD2 3.52Å; I64-L75 HydrophobicContact CG1-CD2 3.83Å; I64-V81 HydrophobicContact CB-CG2 4.05Å; I64-V81 HydrophobicContact CG2-CG2 4.5Å |
| 65 | A | 97.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 11% | 0.107 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 152.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L55 M61 F73 K74 I76 | L55-A65 VanDerWaalsContact CD2-C 3.43Å; M61-A65 HydrophobicContact CG-CB 4.28Å; A65-F73 CarbonylContact O-C 3.54Å; A65-F73 VanDerWaalsContact O-CA 3.3Å; A65-F73 WeakPolarHBondContact O-CA 3.45Å; A65-F73 WeakPolarHBondContact O-CB 3.39Å; A65-K74 PolarHBondContact N-O 3Å; A65-K74 VanDerWaalsContact N-O 3.09Å; A65-K74 PolarHBondContact O-N 3.45Å; A65-I76 HydrophobicContact CB-CD1 3.69Å |
| 66 | W | 97 | Very high | 94.9 | Very high | 121 Ų | 121 | 56.9 Ų | 56.9 | 46% | 0.458 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 132.2 | 163.6 | -63 | 110.8 | 0 | 0 | 0 | 109.4 | L52 L55 F73 F124 | L52-W66 HydrophobicContact CD2-CH2 3.78Å; L52-W66 HydrophobicContact CD2-CZ2 4.06Å; L55-W66 HydrophobicContact CB-CD2 4.46Å; L55-W66 HydrophobicContact CB-CH2 4.45Å; L55-W66 HydrophobicContact CB-CZ2 3.62Å; L55-W66 HydrophobicContact CD1-CD2 4.36Å; L55-W66 HydrophobicContact CD1-CE3 4.33Å; L55-W66 HydrophobicContact CD1-CH2 3.71Å; L55-W66 HydrophobicContact CD1-CZ2 3.73Å; L55-W66 HydrophobicContact CD1-CZ3 4.01Å; L55-W66 HydrophobicContact CD2-CD2 3.9Å; L55-W66 HydrophobicContact CD2-CE3 4.42Å; L55-W66 HydrophobicContact CD2-CG 4.03Å; L55-W66 HydrophobicContact CD2-CZ2 4.44Å; L55-W66 HydrophobicContact CG-CD2 4.48Å; L55-W66 HydrophobicContact CG-CZ2 4.13Å; L55-W66 PolarHBondContact O-NE1 2.77Å; W66-F73 HydrophobicContact CE3-CB 3.84Å; W66-F73 HydrophobicContact CZ3-CB 4.13Å; W66-F73 HydrophobicContact CZ3-CD1 4.29Å; W66-F124 AromaticContact CH2-CD2 3.84Å; W66-F124 HydrophobicContact CH2-CD2 3.84Å; W66-F124 HydrophobicContact CH2-CE2 4.04Å; W66-F124 AromaticContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CE2 4.37Å |
| 67 | E | 93.4 | Very high | 95 | Very high | 72 Ų | 72 | 58 Ų | 58 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | trans | -144.4 | 135.7 | -179.2 | -171.1 | -165.6 | 125.9 | 0 | 0 | 109.7 | E72 K74 K118 | E67-E72 PolarHBondContact N-O 2.68Å; E67-E72 CarbonylContact O-C 3.29Å; E67-E72 VanDerWaalsContact O-C 3.29Å; E67-E72 WeakPolarHBondContact O-CB 3.49Å; E67-E72 WeakPolarHBondContact O-CG 3.39Å; E67-K74 HydrophobicContact CB-CB 4.39Å; E67-K74 WeakPolarHBondContact OE2-CD 3.48Å; E67-K74 IonicContact OE2-NZ 3.85Å; E67-K118 IonicContact OE1-NZ 2.79Å; E67-K118 PolarHBondContact OE1-NZ 3.22Å | ||
| 68 | G | 88 | Confident | 95.2 | Very high | 67 Ų | 67 | 54.9 Ų | 54.9 | 69% | 0.691 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 83.2 | -127.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 69 | T | 87.8 | Confident | 95.6 | Very high | 89 Ų | 89 | 55.9 Ų | 55.9 | 55% | 0.546 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -84.4 | 168.7 | -174.1 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | G71 E72 | T69-G71 PolarHBondContact O-N 2.91Å; T69-E72 PolarHBondContact N-OE2 3.44Å; T69-E72 VanDerWaalsContact O-CB 3.25Å; T69-E72 WeakPolarHBondContact O-CB 3.45Å; T69-E72 PolarHBondContact O-N 3.02Å; T69-E72 PolarHBondContact OG1-OE2 2.81Å |
| 70 | N | 90.4 | Very high | 95.8 | Very high | 135 Ų | 135 | 54.5 Ų | 54.5 | 72% | 0.722 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 126.6 | -178.1 | -171.5 | 44.3 | 0 | 0 | 0 | 112 | E72 F126 | N70-E72 VanDerWaalsContact C-N 3.29Å; N70-E72 PolarHBondContact O-N 2.96Å; N70-F126 VanDerWaalsContact ND2-CE2 3.32Å; N70-F126 WeakPolarHBondContact ND2-CE2 3.49Å |
| 71 | G | 93.6 | Very high | 96 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -1.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T69 K123 F124 | T69-G71 PolarHBondContact O-N 2.91Å; G71-K123 CarbonylContact O-C 3.59Å; G71-K123 WeakPolarHBondContact O-CA 3.34Å; G71-F124 PolarHBondContact O-N 3.28Å |
| 72 | E | 97.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 48 Ų | 48 | 8% | 0.075 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 133.8 | 175.6 | -172.9 | -175.8 | 160.5 | 0 | 0 | 110.8 | E67 T69 N70 V115 K118 Y122 K123 | E67-E72 PolarHBondContact N-O 2.68Å; E67-E72 CarbonylContact O-C 3.29Å; E67-E72 VanDerWaalsContact O-C 3.29Å; E67-E72 WeakPolarHBondContact O-CB 3.49Å; E67-E72 WeakPolarHBondContact O-CG 3.39Å; T69-E72 PolarHBondContact N-OE2 3.44Å; T69-E72 VanDerWaalsContact O-CB 3.25Å; T69-E72 WeakPolarHBondContact O-CB 3.45Å; T69-E72 PolarHBondContact O-N 3.02Å; T69-E72 PolarHBondContact OG1-OE2 2.81Å; N70-E72 VanDerWaalsContact C-N 3.29Å; N70-E72 PolarHBondContact O-N 2.96Å; E72-V115 HydrophobicContact CG-CG2 3.88Å; E72-K118 IonicContact OE1-NZ 3.18Å; E72-K118 PolarHBondContact OE1-NZ 3.44Å; E72-Y122 WeakPolarHBondContact CA-O 3.42Å; E72-K123 HydrophobicContact CB-CB 4.41Å; E72-K123 HydrophobicContact CB-CD 4.45Å; E72-K123 HydrophobicContact CB-CG 4.2Å |
| 73 | F | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 162.4 | -179.2 | 71.2 | -86 | 0 | 0 | 0 | 110.9 | L51 L55 I64 A65 W66 L75 M112 A121 Y122 F124 | L51-F73 HydrophobicContact CD1-CE2 4.26Å; L51-F73 HydrophobicContact CD1-CZ 4.07Å; L55-F73 HydrophobicContact CD1-CB 3.91Å; L55-F73 HydrophobicContact CD1-CD1 4.17Å; L55-F73 HydrophobicContact CD1-CD2 4.03Å; L55-F73 HydrophobicContact CD1-CG 3.78Å; L55-F73 HydrophobicContact CD2-CB 3.95Å; I64-F73 HydrophobicContact CD1-CD2 3.94Å; I64-F73 HydrophobicContact CD1-CE2 4.12Å; I64-F73 HydrophobicContact CG1-CD2 4.17Å; A65-F73 CarbonylContact O-C 3.54Å; A65-F73 VanDerWaalsContact O-CA 3.3Å; A65-F73 WeakPolarHBondContact O-CA 3.45Å; A65-F73 WeakPolarHBondContact O-CB 3.39Å; W66-F73 HydrophobicContact CE3-CB 3.84Å; W66-F73 HydrophobicContact CZ3-CB 4.13Å; W66-F73 HydrophobicContact CZ3-CD1 4.29Å; F73-L75 HydrophobicContact CD2-CD2 4.33Å; F73-L75 HydrophobicContact CE2-CD2 4Å; F73-M112 HydrophobicContact CZ-CE 4.5Å; F73-M112 HydrophobicContact CZ-SD 4.42Å; F73-A121 WeakPolarHBondContact O-CA 3.42Å; F73-Y122 WeakPolarHBondContact CD1-O 3.32Å; F73-Y122 HydrophobicContact CE2-CD2 4.18Å; F73-Y122 HydrophobicContact CE2-CG 4.5Å; F73-Y122 VanDerWaalsContact CZ-CB 3.5Å; F73-Y122 HydrophobicContact CZ-CD2 4.33Å; F73-Y122 HydrophobicContact CZ-CG 4.19Å; F73-Y122 PolarHBondContact N-O 3.28Å; F73-Y122 PolarHBondContact O-N 3.24Å; F73-Y122 VanDerWaalsContact O-O 3.07Å; F73-F124 AromaticContact CD1-CD2 3.64Å; F73-F124 HydrophobicContact CD1-CD2 3.64Å; F73-F124 AromaticContact CD1-CE2 3.61Å; F73-F124 HydrophobicContact CD1-CE2 3.61Å; F73-F124 AromaticContact CE1-CD2 3.48Å; F73-F124 HydrophobicContact CE1-CD2 3.48Å; F73-F124 VanDerWaalsContact CE1-CD2 3.48Å; F73-F124 AromaticContact CE1-CE2 3.26Å; F73-F124 HydrophobicContact CE1-CE2 3.26Å; F73-F124 HydrophobicContact CE1-CG 4.29Å; F73-F124 AromaticContact CE1-CZ 3.95Å; F73-F124 HydrophobicContact CE1-CZ 3.95Å; F73-F124 AromaticContact CZ-CE2 3.96Å; F73-F124 HydrophobicContact CZ-CE2 3.96Å; F73-F124 HydrophobicContact CZ-CZ 4.3Å |
| 74 | K | 98 | Very high | 96.3 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.4 | 178.5 | -173.7 | 179 | 176.8 | -173.5 | 0 | 111.1 | I64 A65 E67 I76 R119 Y120 A121 | I64-K74 WeakPolarHBondContact CA-O 3.35Å; A65-K74 PolarHBondContact N-O 3Å; A65-K74 VanDerWaalsContact N-O 3.09Å; A65-K74 PolarHBondContact O-N 3.45Å; E67-K74 HydrophobicContact CB-CB 4.39Å; E67-K74 WeakPolarHBondContact OE2-CD 3.48Å; E67-K74 IonicContact OE2-NZ 3.85Å; K74-I76 PolarHBondContact O-N 2.76Å; K74-R119 WeakPolarHBondContact CE-O 3.29Å; K74-Y120 WeakPolarHBondContact CA-O 3.45Å; K74-A121 HydrophobicContact CG-CB 4.48Å |
| 75 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 108.5 | 166.2 | -43.8 | 177.1 | 0 | 0 | 0 | 107.6 | L51 I64 F73 P78 V81 Y96 L99 Y120 Y122 | L51-L75 HydrophobicContact CD2-CD2 4.39Å; I64-L75 HydrophobicContact CB-CD2 4.37Å; I64-L75 HydrophobicContact CD1-CD2 3.52Å; I64-L75 HydrophobicContact CG1-CD2 3.83Å; F73-L75 HydrophobicContact CD2-CD2 4.33Å; F73-L75 HydrophobicContact CE2-CD2 4Å; L75-P78 HydrophobicContact CB-CB 4.2Å; L75-P78 HydrophobicContact CD1-CB 4.41Å; L75-V81 HydrophobicContact CD2-CG1 4.12Å; L75-V81 HydrophobicContact CD2-CG2 4.2Å; L75-Y96 HydrophobicContact CD1-CD2 4.21Å; L75-Y96 HydrophobicContact CD1-CE2 3.7Å; L75-L99 HydrophobicContact CD1-CD2 4.45Å; L75-Y120 PolarHBondContact N-O 3.39Å; L75-Y120 WeakPolarHBondContact O-CB 3.43Å; L75-Y122 HydrophobicContact CD1-CE2 4.13Å; L75-Y122 HydrophobicContact CG-CE2 4.4Å |
| 76 | I | 98.1 | Very high | 96.2 | Very high | 84 Ų | 84 | 53.3 Ų | 53.3 | 43% | 0.431 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -76.9 | -46.8 | -179.6 | -64.8 | 160.1 | 0 | 0 | 0 | 109.1 | M61 S62 C63 A65 K74 P78 | M61-I76 WeakPolarHBondContact O-CD1 3.32Å; S62-I76 WeakPolarHBondContact O-CB 3.42Å; S62-I76 WeakPolarHBondContact O-CG2 3.43Å; C63-I76 PolarHBondContact O-N 2.74Å; A65-I76 HydrophobicContact CB-CD1 3.69Å; K74-I76 PolarHBondContact O-N 2.76Å; I76-P78 WeakPolarHBondContact O-CD 3.28Å |
| 77 | E | 98.3 | Very high | 96.2 | Very high | 97 Ų | 97 | 53.6 Ų | 53.6 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -115.4 | 84.5 | 171.2 | -66.6 | -178.4 | -123.4 | 0 | 0 | 109.1 | C63 D79 E80 V81 | C63-E77 HydrophobicContact CB-CB 4.08Å; C63-E77 PolarHBondContact O-N 2.94Å; C63-E77 VanDerWaalsContact O-N 3.11Å; E77-D79 PolarHBondContact O-N 2.79Å; E77-E80 HydrophobicContact CB-CB 3.91Å; E77-E80 PolarHBondContact O-N 2.93Å; E77-V81 WeakPolarHBondContact O-CG2 3.26Å; E77-V81 PolarHBondContact O-N 2.96Å; E77-V81 VanDerWaalsContact O-N 3.13Å |
| 78 | P | 98.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -30.9 | -175.3 | 22.8 | -33.2 | 0 | 0 | 0 | 113.3 | L75 I76 A82 Y96 Y120 | L75-P78 HydrophobicContact CB-CB 4.2Å; L75-P78 HydrophobicContact CD1-CB 4.41Å; I76-P78 WeakPolarHBondContact O-CD 3.28Å; P78-A82 WeakPolarHBondContact O-CB 3.29Å; P78-A82 PolarHBondContact O-N 3.28Å; P78-Y96 HydrophobicContact CB-CD2 3.51Å; P78-Y96 HydrophobicContact CB-CE2 4Å; P78-Y96 HydrophobicContact CB-CG 3.85Å; P78-Y120 HydrophobicContact CB-CD1 4.31Å; P78-Y120 HydrophobicContact CG-CD1 4.3Å; P78-Y120 HydrophobicContact CG-CD2 4.26Å; P78-Y120 HydrophobicContact CG-CE1 4.22Å; P78-Y120 HydrophobicContact CG-CE2 4.2Å; P78-Y120 HydrophobicContact CG-CG 4.32Å |
| 79 | D | 98.4 | Very high | 96.4 | Very high | 113 Ų | 113 | 53.2 Ų | 53.2 | 60% | 0.604 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -71 | -39.8 | 177.8 | -64.9 | -41.1 | 0 | 0 | 0 | 112.1 | E77 A82 R83 | E77-D79 PolarHBondContact O-N 2.79Å; D79-A82 PolarHBondContact O-N 3.42Å; D79-R83 WeakPolarHBondContact O-CB 3.12Å; D79-R83 PolarHBondContact O-N 3.3Å |
| 80 | E | 98.3 | Very high | 96.7 | Very high | 43 Ų | 43 | 54.1 Ų | 54.1 | 20% | 0.201 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.8 | -39.6 | 175.5 | 176.5 | 56.1 | -164.3 | 0 | 0 | 111.2 | C63 E77 A82 R83 R84 | C63-E80 HydrophobicContact CB-CB 4.08Å; C63-E80 HydrophobicContact CB-CG 3.81Å; E77-E80 HydrophobicContact CB-CB 3.91Å; E77-E80 PolarHBondContact O-N 2.93Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 2.93Å; E80-R83 PolarHBondContact O-N 3.01Å; E80-R83 IonicContact OE1-CZ 3.44Å; E80-R83 IonicContact OE1-NE 3.77Å; E80-R83 IonicContact OE1-NH2 3.57Å; E80-R83 PolarHBondContact OE1-NH2 2.76Å; E80-R83 IonicContact OE2-CZ 2.77Å; E80-R83 IonicContact OE2-NE 2.76Å; E80-R83 PolarHBondContact OE2-NE 3.27Å; E80-R83 IonicContact OE2-NH2 3.63Å; E80-R84 WeakPolarHBondContact O-CG 3.46Å; E80-R84 PolarHBondContact O-N 2.92Å; E80-R84 WeakPolarHBondContact OE1-CG 3.31Å; E80-R84 IonicContact OE1-CZ 3.56Å; E80-R84 IonicContact OE1-NE 2.76Å; E80-R84 PolarHBondContact OE1-NE 2.97Å; E80-R84 IonicContact OE1-NH2 2.76Å |
| 81 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 173.1 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | F50 L51 L54 C63 I64 L75 E77 W85 L99 | F50-V81 HydrophobicContact CE1-CG1 4.5Å; L51-V81 HydrophobicContact CD2-CG1 3.84Å; L54-V81 HydrophobicContact CD1-CG1 4.34Å; C63-V81 HydrophobicContact CB-CG2 4.08Å; C63-V81 WeakPolarHBondContact O-CG2 3.43Å; I64-V81 HydrophobicContact CB-CG2 4.05Å; I64-V81 HydrophobicContact CG2-CG2 4.5Å; L75-V81 HydrophobicContact CD2-CG1 4.12Å; L75-V81 HydrophobicContact CD2-CG2 4.2Å; E77-V81 WeakPolarHBondContact O-CG2 3.26Å; E77-V81 PolarHBondContact O-N 2.96Å; E77-V81 VanDerWaalsContact O-N 3.13Å; V81-W85 WeakPolarHBondContact O-CB 3.28Å; V81-W85 PolarHBondContact O-N 3.28Å; V81-L99 HydrophobicContact CG1-CD1 4.13Å |
| 82 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P78 D79 E80 W85 G86 M94 L99 | P78-A82 WeakPolarHBondContact O-CB 3.29Å; P78-A82 PolarHBondContact O-N 3.28Å; D79-A82 PolarHBondContact O-N 3.42Å; E80-A82 VanDerWaalsContact C-N 3.31Å; E80-A82 PolarHBondContact O-N 2.93Å; A82-W85 PolarHBondContact O-N 3.24Å; A82-G86 PolarHBondContact O-N 3.23Å; A82-M94 HydrophobicContact CB-CG 4.44Å; A82-M94 WeakPolarHBondContact O-CG 3.34Å; A82-L99 HydrophobicContact CB-CB 4.5Å; A82-L99 HydrophobicContact CB-CD1 4.15Å |
| 83 | R | 98.4 | Very high | 96.6 | Very high | 114 Ų | 114 | 63.5 Ų | 63.5 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.2 | -50.6 | 175.4 | -169.9 | -160.4 | 65.7 | 70.3 | 0.6 | 110.8 | D79 E80 W85 G86 E87 | D79-R83 WeakPolarHBondContact O-CB 3.12Å; D79-R83 PolarHBondContact O-N 3.3Å; E80-R83 PolarHBondContact O-N 3.01Å; E80-R83 IonicContact OE1-CZ 3.44Å; E80-R83 IonicContact OE1-NE 3.77Å; E80-R83 IonicContact OE1-NH2 3.57Å; E80-R83 PolarHBondContact OE1-NH2 2.76Å; E80-R83 IonicContact OE2-CZ 2.77Å; E80-R83 IonicContact OE2-NE 2.76Å; E80-R83 PolarHBondContact OE2-NE 3.27Å; E80-R83 IonicContact OE2-NH2 3.63Å; R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 3.15Å; R83-G86 CarbonylContact O-C 3.58Å; R83-G86 WeakPolarHBondContact O-CA 3.34Å; R83-G86 PolarHBondContact O-N 3.38Å; R83-G86 VanDerWaalsContact O-N 3.1Å; R83-E87 IonicContact CZ-OE2 3.87Å; R83-E87 IonicContact NH1-OE2 3.59Å; R83-E87 PolarHBondContact NH1-OE2 3.05Å; R83-E87 IonicContact NH2-OE2 3.79Å; R83-E87 PolarHBondContact O-N 3.29Å |
| 84 | R | 97.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 64.6 Ų | 64.6 | 25% | 0.249 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 177.4 | -69.7 | -175.3 | -175.8 | -162.2 | 2.8 | 112.5 | F50 N60 E80 E87 R88 | F50-R84 HydrophobicContact CZ-CB 3.84Å; N60-R84 PolarHBondContact OD1-NH1 2.88Å; E80-R84 WeakPolarHBondContact O-CG 3.46Å; E80-R84 PolarHBondContact O-N 2.92Å; E80-R84 WeakPolarHBondContact OE1-CG 3.31Å; E80-R84 IonicContact OE1-CZ 3.56Å; E80-R84 IonicContact OE1-NE 2.76Å; E80-R84 PolarHBondContact OE1-NE 2.97Å; E80-R84 IonicContact OE1-NH2 2.76Å; R84-E87 PolarHBondContact O-N 3.41Å; R84-R88 WeakPolarHBondContact O-CB 3.18Å; R84-R88 PolarHBondContact O-N 3.14Å |
| 85 | W | 97.5 | Very high | 96.6 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -41 | 172.5 | 177.5 | -124.7 | 0 | 0 | 0 | 112.2 | I45 L47 F50 V81 A82 R83 R88 K89 M94 L99 | I45-W85 HydrophobicContact CG2-CZ3 4.01Å; I45-W85 WeakPolarHBondContact O-CH2 3.48Å; L47-W85 HydrophobicContact CB-CH2 4.05Å; L47-W85 HydrophobicContact CB-CZ2 3.87Å; L47-W85 HydrophobicContact CD1-CD2 3.84Å; L47-W85 HydrophobicContact CD1-CE3 4.19Å; L47-W85 HydrophobicContact CD1-CG 4.09Å; L47-W85 HydrophobicContact CD1-CZ2 4.35Å; F50-W85 HydrophobicContact CB-CE3 3.83Å; F50-W85 HydrophobicContact CB-CZ3 3.58Å; F50-W85 HydrophobicContact CD1-CB 4.29Å; F50-W85 HydrophobicContact CD1-CD2 4.22Å; F50-W85 AromaticContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CE3 3.49Å; F50-W85 VanDerWaalsContact CD1-CE3 3.49Å; F50-W85 HydrophobicContact CD1-CZ3 4.16Å; F50-W85 HydrophobicContact CD2-CE3 4.04Å; F50-W85 HydrophobicContact CD2-CZ3 4.39Å; F50-W85 HydrophobicContact CE1-CB 3.72Å; F50-W85 HydrophobicContact CE1-CE3 4.01Å; F50-W85 HydrophobicContact CE1-CG 4.45Å; F50-W85 HydrophobicContact CE2-CE3 4.49Å; F50-W85 AromaticContact CG-CE3 3.49Å; F50-W85 HydrophobicContact CG-CE3 3.49Å; F50-W85 VanDerWaalsContact CG-CE3 3.49Å; F50-W85 AromaticContact CG-CZ3 3.79Å; F50-W85 HydrophobicContact CG-CZ3 3.79Å; F50-W85 HydrophobicContact CZ-CB 4.16Å; F50-W85 HydrophobicContact CZ-CE3 4.47Å; V81-W85 WeakPolarHBondContact O-CB 3.28Å; V81-W85 PolarHBondContact O-N 3.28Å; A82-W85 PolarHBondContact O-N 3.24Å; R83-W85 VanDerWaalsContact C-N 3.3Å; R83-W85 PolarHBondContact O-N 3.15Å; W85-R88 HydrophobicContact CE3-CB 4.34Å; W85-R88 HydrophobicContact CE3-CG 4.47Å; W85-R88 HydrophobicContact CZ3-CG 4.43Å; W85-R88 PolarHBondContact O-N 2.95Å; W85-K89 HydrophobicContact CD2-CG 3.92Å; W85-K89 HydrophobicContact CE3-CG 3.93Å; W85-K89 HydrophobicContact CH2-CD 3.52Å; W85-K89 HydrophobicContact CH2-CG 3.53Å; W85-K89 HydrophobicContact CZ2-CD 3.87Å; W85-K89 HydrophobicContact CZ2-CG 3.5Å; W85-K89 VanDerWaalsContact CZ2-CG 3.5Å; W85-K89 HydrophobicContact CZ3-CD 3.93Å; W85-K89 HydrophobicContact CZ3-CG 3.75Å; W85-K89 PolarHBondContact O-N 2.99Å; W85-M94 VanDerWaalsContact CD1-CE 3.5Å; W85-L99 HydrophobicContact CB-CD1 3.97Å; W85-L99 HydrophobicContact CG-CD1 4.18Å |
| 86 | G | 96.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 65.8 Ų | 65.8 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58 | -49 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A82 R83 K89 S90 K91 M94 | A82-G86 PolarHBondContact O-N 3.23Å; R83-G86 CarbonylContact O-C 3.58Å; R83-G86 WeakPolarHBondContact O-CA 3.34Å; R83-G86 PolarHBondContact O-N 3.38Å; R83-G86 VanDerWaalsContact O-N 3.1Å; G86-K89 CarbonylContact O-C 3.6Å; G86-K89 PolarHBondContact O-N 3.46Å; G86-S90 CarbonylContact O-C 3.53Å; G86-S90 WeakPolarHBondContact O-CA 3.42Å; G86-S90 PolarHBondContact O-N 3.4Å; G86-K91 VanDerWaalsContact CA-O 3.32Å; G86-K91 WeakPolarHBondContact CA-O 3.45Å; G86-K91 PolarHBondContact O-N 3.37Å; G86-M94 VanDerWaalsContact CA-CB 3.47Å |
| 87 | E | 96 | Very high | 96.6 | Very high | 127 Ų | 127 | 67.5 Ų | 67.5 | 59% | 0.593 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.4 | -49.1 | 174.4 | 179.9 | 167.4 | -139.5 | 0 | 0 | 111.6 | R83 R84 K89 S90 | R83-E87 IonicContact CZ-OE2 3.87Å; R83-E87 IonicContact NH1-OE2 3.59Å; R83-E87 PolarHBondContact NH1-OE2 3.05Å; R83-E87 IonicContact NH2-OE2 3.79Å; R83-E87 PolarHBondContact O-N 3.29Å; R84-E87 PolarHBondContact O-N 3.41Å; E87-K89 VanDerWaalsContact C-N 3.27Å; E87-K89 PolarHBondContact O-N 3.34Å; E87-S90 PolarHBondContact O-N 2.91Å |
| 88 | R | 94.7 | Very high | 96.6 | Very high | 62 Ų | 62 | 68 Ų | 68 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60 | -33 | 179.3 | -174.9 | 60.8 | 63.5 | 85.7 | 0.6 | 113.8 | I45 F50 E53 R84 W85 | I45-R88 HydrophobicContact CG2-CG 3.48Å; I45-R88 VanDerWaalsContact CG2-CG 3.48Å; F50-R88 HydrophobicContact CD2-CB 4.33Å; F50-R88 HydrophobicContact CD2-CG 4.07Å; F50-R88 HydrophobicContact CE2-CB 4.14Å; F50-R88 HydrophobicContact CE2-CG 4.34Å; E53-R88 VanDerWaalsContact CD-NH1 3.31Å; E53-R88 IonicContact OE1-CZ 3.32Å; E53-R88 IonicContact OE1-NH1 2.97Å; E53-R88 PolarHBondContact OE1-NH1 3.18Å; E53-R88 IonicContact OE1-NH2 2.94Å; E53-R88 PolarHBondContact OE1-NH2 3.35Å; E53-R88 IonicContact OE2-CZ 3.96Å; E53-R88 IonicContact OE2-NH1 2.92Å; E53-R88 PolarHBondContact OE2-NH1 3.22Å; R84-R88 WeakPolarHBondContact O-CB 3.18Å; R84-R88 PolarHBondContact O-N 3.14Å; W85-R88 HydrophobicContact CE3-CB 4.34Å; W85-R88 HydrophobicContact CE3-CG 4.47Å; W85-R88 HydrophobicContact CZ3-CG 4.43Å; W85-R88 PolarHBondContact O-N 2.95Å |
| 89 | K | 91.8 | Very high | 96.6 | Very high | 70 Ų | 70 | 67.4 Ų | 67.4 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 5.5 | -179 | -62.6 | -66 | -70.5 | -171.7 | 0 | 113.4 | G43 I45 W85 G86 E87 K91 | G43-K89 WeakPolarHBondContact O-CD 3.35Å; G43-K89 WeakPolarHBondContact O-CE 3.47Å; G43-K89 PolarHBondContact O-NZ 3.39Å; I45-K89 PolarHBondContact O-NZ 2.93Å; W85-K89 HydrophobicContact CD2-CG 3.92Å; W85-K89 HydrophobicContact CE3-CG 3.93Å; W85-K89 HydrophobicContact CH2-CD 3.52Å; W85-K89 HydrophobicContact CH2-CG 3.53Å; W85-K89 HydrophobicContact CZ2-CD 3.87Å; W85-K89 HydrophobicContact CZ2-CG 3.5Å; W85-K89 VanDerWaalsContact CZ2-CG 3.5Å; W85-K89 HydrophobicContact CZ3-CD 3.93Å; W85-K89 HydrophobicContact CZ3-CG 3.75Å; W85-K89 PolarHBondContact O-N 2.99Å; G86-K89 CarbonylContact O-C 3.6Å; G86-K89 PolarHBondContact O-N 3.46Å; E87-K89 VanDerWaalsContact C-N 3.27Å; E87-K89 PolarHBondContact O-N 3.34Å; K89-K91 VanDerWaalsContact C-N 3.28Å; K89-K91 HydrophobicContact CB-CD 4.08Å; K89-K91 HydrophobicContact CB-CG 4.08Å; K89-K91 PolarHBondContact O-N 3.34Å |
| 90 | S | 93.3 | Very high | 96.6 | Very high | 108 Ų | 108 | 63.3 Ų | 63.3 | 76% | 0.755 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 43.2 | -171.8 | -54.6 | 0 | 0 | 0 | 0 | 113.5 | G86 E87 P92 | G86-S90 CarbonylContact O-C 3.53Å; G86-S90 WeakPolarHBondContact O-CA 3.42Å; G86-S90 PolarHBondContact O-N 3.4Å; E87-S90 PolarHBondContact O-N 2.91Å; S90-P92 WeakPolarHBondContact O-CD 3.41Å |
| 91 | K | 92.8 | Very high | 96.6 | Very high | 103 Ų | 103 | 66.8 Ų | 66.8 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | trans | -113.5 | 89.4 | 178.3 | -66.3 | -178.2 | 69.3 | 175.3 | 0 | 109.9 | G86 K89 N93 M94 | G86-K91 VanDerWaalsContact CA-O 3.32Å; G86-K91 WeakPolarHBondContact CA-O 3.45Å; G86-K91 PolarHBondContact O-N 3.37Å; K89-K91 VanDerWaalsContact C-N 3.28Å; K89-K91 HydrophobicContact CB-CD 4.08Å; K89-K91 HydrophobicContact CB-CG 4.08Å; K89-K91 PolarHBondContact O-N 3.34Å; K91-N93 PolarHBondContact O-N 3.42Å; K91-M94 HydrophobicContact CB-CB 4.46Å; K91-M94 HydrophobicContact CB-CE 4.08Å; K91-M94 HydrophobicContact CD-CE 3.73Å; K91-M94 VanDerWaalsContact O-CB 3.29Å; K91-M94 WeakPolarHBondContact O-CB 3.37Å; K91-M94 PolarHBondContact O-N 2.97Å; K91-M94 VanDerWaalsContact O-N 3.14Å | ||
| 92 | P | 91.5 | Very high | 96.4 | Very high | 120 Ų | 120 | 67.1 Ų | 67.1 | 78% | 0.779 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -26.5 | -172.6 | 25.2 | -34.8 | 0 | 0 | 0 | 113.6 | S90 M94 | S90-P92 WeakPolarHBondContact O-CD 3.41Å; P92-M94 VanDerWaalsContact C-N 3.27Å; P92-M94 PolarHBondContact O-N 3.37Å |
| 93 | N | 95.4 | Very high | 96.4 | Very high | 130 Ų | 130 | 67.1 Ų | 67.1 | 70% | 0.695 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 28.1 | 178.3 | -59.8 | -33 | 0 | 0 | 0 | 112.6 | K91 K98 | K91-N93 PolarHBondContact O-N 3.42Å; N93-K98 PolarHBondContact O-NZ 3.31Å |
| 94 | M | 98.1 | Very high | 96.4 | Very high | 22 Ų | 22 | 69.4 Ų | 69.4 | 11% | 0.108 | 34% | 0.338 | C | S | . | . | trans | -75.6 | 140.2 | 174.4 | -172.2 | 59.6 | 69.6 | 0 | 0 | 110.2 | A82 W85 G86 K91 P92 K98 | A82-M94 HydrophobicContact CB-CG 4.44Å; A82-M94 WeakPolarHBondContact O-CG 3.34Å; W85-M94 VanDerWaalsContact CD1-CE 3.5Å; G86-M94 VanDerWaalsContact CA-CB 3.47Å; K91-M94 HydrophobicContact CB-CB 4.46Å; K91-M94 HydrophobicContact CB-CE 4.08Å; K91-M94 HydrophobicContact CD-CE 3.73Å; K91-M94 VanDerWaalsContact O-CB 3.29Å; K91-M94 WeakPolarHBondContact O-CB 3.37Å; K91-M94 PolarHBondContact O-N 2.97Å; K91-M94 VanDerWaalsContact O-N 3.14Å; P92-M94 VanDerWaalsContact C-N 3.27Å; P92-M94 PolarHBondContact O-N 3.37Å; M94-K98 HydrophobicContact SD-CB 3.94Å | ||
| 95 | N | 98.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 71.5 Ų | 71.5 | 32% | 0.316 | 35% | 0.347 | S | S | . | . | trans | -148.9 | 173.5 | 176.7 | 65.3 | 13.4 | 0 | 0 | 0 | 110.1 | D97 K98 L99 | N95-D97 VanDerWaalsContact C-N 3.34Å; N95-D97 PolarHBondContact O-N 3.05Å; N95-D97 PolarHBondContact OD1-N 3.29Å; N95-K98 PolarHBondContact O-N 2.74Å; N95-K98 WeakPolarHBondContact OD1-CB 3.36Å; N95-K98 VanDerWaalsContact OD1-CG 3.26Å; N95-K98 WeakPolarHBondContact OD1-CG 3.43Å; N95-K98 PolarHBondContact OD1-N 3.46Å; N95-L99 WeakPolarHBondContact O-CB 3.45Å; N95-L99 PolarHBondContact O-N 3.31Å | ||
| 96 | Y | 98.5 | Very high | 96.3 | Very high | 33 Ų | 33 | 71.1 Ų | 71.1 | 13% | 0.129 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.6 | -36 | -178.4 | 177.3 | -103.9 | 0 | 0 | 0 | 112.9 | L75 P78 K98 L99 S100 Y120 Y122 | L75-Y96 HydrophobicContact CD1-CD2 4.21Å; L75-Y96 HydrophobicContact CD1-CE2 3.7Å; P78-Y96 HydrophobicContact CB-CD2 3.51Å; P78-Y96 HydrophobicContact CB-CE2 4Å; P78-Y96 HydrophobicContact CB-CG 3.85Å; Y96-K98 VanDerWaalsContact C-N 3.33Å; Y96-K98 PolarHBondContact O-N 2.96Å; Y96-L99 HydrophobicContact CD2-CD2 4.46Å; Y96-L99 PolarHBondContact O-N 3.41Å; Y96-S100 WeakPolarHBondContact O-CB 3.44Å; Y96-S100 PolarHBondContact O-N 2.88Å; Y96-S100 PolarHBondContact O-OG 3.49Å; Y96-Y120 HydrophobicContact CD1-CE1 4.13Å; Y96-Y120 AromaticContact CE1-CD1 3.8Å; Y96-Y120 HydrophobicContact CE1-CD1 3.8Å; Y96-Y120 AromaticContact CE1-CE1 3.51Å; Y96-Y120 HydrophobicContact CE1-CE1 3.51Å; Y96-Y120 HydrophobicContact CE2-CD1 4.07Å; Y96-Y120 AromaticContact CZ-CD1 3.48Å; Y96-Y120 VanDerWaalsContact CZ-CD1 3.48Å; Y96-Y120 AromaticContact CZ-CE1 3.73Å; Y96-Y120 WeakPolarHBondContact OH-CD1 3.3Å; Y96-Y122 PolarHBondContact OH-OH 3.37Å |
| 97 | D | 98.2 | Very high | 96.3 | Very high | 119 Ų | 119 | 73.4 Ų | 73.4 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.4 | -45 | 176.9 | -62.9 | -75.8 | 0 | 0 | 0 | 112.2 | N95 S100 R101 | N95-D97 VanDerWaalsContact C-N 3.34Å; N95-D97 PolarHBondContact O-N 3.05Å; N95-D97 PolarHBondContact OD1-N 3.29Å; D97-S100 PolarHBondContact O-OG 3.31Å; D97-R101 WeakPolarHBondContact O-CB 3.32Å; D97-R101 PolarHBondContact O-N 3Å |
| 98 | K | 97.8 | Very high | 96.2 | Very high | 109 Ų | 109 | 74.6 Ų | 74.6 | 47% | 0.474 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70.2 | -40.9 | 177.7 | -68.8 | 170.3 | -169.7 | 175 | 0 | 111.9 | N93 M94 N95 Y96 R101 A102 | N93-K98 PolarHBondContact O-NZ 3.31Å; M94-K98 HydrophobicContact SD-CB 3.94Å; N95-K98 PolarHBondContact O-N 2.74Å; N95-K98 WeakPolarHBondContact OD1-CB 3.36Å; N95-K98 VanDerWaalsContact OD1-CG 3.26Å; N95-K98 WeakPolarHBondContact OD1-CG 3.43Å; N95-K98 PolarHBondContact OD1-N 3.46Å; Y96-K98 VanDerWaalsContact C-N 3.33Å; Y96-K98 PolarHBondContact O-N 2.96Å; K98-R101 WeakPolarHBondContact O-CB 3.45Å; K98-R101 PolarHBondContact O-N 3.41Å; K98-A102 PolarHBondContact O-N 2.85Å |
| 99 | L | 98.4 | Very high | 96 | Very high | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.6 | -47.8 | 177.5 | -176.5 | 153 | 0 | 0 | 0 | 110.8 | L47 L75 V81 A82 W85 N95 Y96 R101 A102 L103 | L47-L99 HydrophobicContact CD1-CD1 4.13Å; L47-L99 HydrophobicContact CD1-CG 4.16Å; L47-L99 HydrophobicContact CD2-CD2 4.45Å; L47-L99 HydrophobicContact CD2-CG 4.14Å; L75-L99 HydrophobicContact CD1-CD2 4.45Å; V81-L99 HydrophobicContact CG1-CD1 4.13Å; A82-L99 HydrophobicContact CB-CB 4.5Å; A82-L99 HydrophobicContact CB-CD1 4.15Å; W85-L99 HydrophobicContact CB-CD1 3.97Å; W85-L99 HydrophobicContact CG-CD1 4.18Å; N95-L99 WeakPolarHBondContact O-CB 3.45Å; N95-L99 PolarHBondContact O-N 3.31Å; Y96-L99 HydrophobicContact CD2-CD2 4.46Å; Y96-L99 PolarHBondContact O-N 3.41Å; L99-R101 PolarHBondContact O-N 3.28Å; L99-A102 WeakPolarHBondContact O-CA 3.16Å; L99-A102 VanDerWaalsContact O-CB 3.3Å; L99-A102 WeakPolarHBondContact O-CB 3.32Å; L99-A102 PolarHBondContact O-N 3.47Å; L99-L103 HydrophobicContact CD2-CD1 3.56Å; L99-L103 HydrophobicContact CD2-CD2 4.44Å; L99-L103 HydrophobicContact CD2-CG 3.88Å; L99-L103 PolarHBondContact O-N 3.32Å |
| 100 | S | 98.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 77.6 Ų | 77.6 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.6 | -30.7 | 178.8 | 67 | 0 | 0 | 0 | 0 | 112 | Y96 D97 A102 L103 R104 | Y96-S100 WeakPolarHBondContact O-CB 3.44Å; Y96-S100 PolarHBondContact O-N 2.88Å; Y96-S100 PolarHBondContact O-OG 3.49Å; D97-S100 PolarHBondContact O-OG 3.31Å; S100-A102 VanDerWaalsContact C-N 3.3Å; S100-A102 PolarHBondContact O-N 3.1Å; S100-L103 PolarHBondContact O-N 3Å; S100-R104 PolarHBondContact O-N 3.01Å |
| 101 | R | 98.1 | Very high | 96.3 | Very high | 116 Ų | 116 | 72.5 Ų | 72.5 | 44% | 0.438 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 170 | -172.6 | 66.2 | -169.5 | 88.5 | -9.7 | 112.3 | D97 K98 L99 R104 Y105 | D97-R101 WeakPolarHBondContact O-CB 3.32Å; D97-R101 PolarHBondContact O-N 3Å; K98-R101 WeakPolarHBondContact O-CB 3.45Å; K98-R101 PolarHBondContact O-N 3.41Å; L99-R101 PolarHBondContact O-N 3.28Å; R101-R104 PolarHBondContact O-N 3.4Å; R101-Y105 HydrophobicContact CG-CE2 4.13Å; R101-Y105 VanDerWaalsContact CZ-CE1 3.42Å; R101-Y105 VanDerWaalsContact NH1-CE2 3.34Å; R101-Y105 VanDerWaalsContact NH2-CZ 3.31Å; R101-Y105 PolarHBondContact NH2-OH 3.32Å; R101-Y105 VanDerWaalsContact NH2-OH 3.1Å; R101-Y105 VanDerWaalsContact O-CD2 3.27Å; R101-Y105 WeakPolarHBondContact O-CD2 3.33Å |
| 102 | A | 95.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | W31 L47 K98 L99 S100 R104 Y105 | W31-A102 HydrophobicContact CH2-CB 3.74Å; W31-A102 HydrophobicContact CZ2-CB 3.65Å; L47-A102 HydrophobicContact CD2-CB 3.6Å; K98-A102 PolarHBondContact O-N 2.85Å; L99-A102 WeakPolarHBondContact O-CA 3.16Å; L99-A102 VanDerWaalsContact O-CB 3.3Å; L99-A102 WeakPolarHBondContact O-CB 3.32Å; L99-A102 PolarHBondContact O-N 3.47Å; S100-A102 VanDerWaalsContact C-N 3.3Å; S100-A102 PolarHBondContact O-N 3.1Å; A102-R104 PolarHBondContact O-N 2.84Å; A102-Y105 WeakPolarHBondContact O-CB 3.46Å; A102-Y105 PolarHBondContact O-N 3.38Å; A102-Y105 VanDerWaalsContact O-N 3.08Å |
| 103 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.9 | -37.7 | 174.9 | -61.2 | 178.6 | 0 | 0 | 0 | 112.1 | L47 L51 L99 S100 Y105 Y106 Y107 M112 Y122 | L47-L103 HydrophobicContact CD2-CD2 3.55Å; L47-L103 HydrophobicContact CD2-CG 4.04Å; L47-L103 HydrophobicContact CG-CD2 4.03Å; L51-L103 HydrophobicContact CD1-CD2 3.59Å; L99-L103 HydrophobicContact CD2-CD1 3.56Å; L99-L103 HydrophobicContact CD2-CD2 4.44Å; L99-L103 HydrophobicContact CD2-CG 3.88Å; L99-L103 PolarHBondContact O-N 3.32Å; S100-L103 PolarHBondContact O-N 3Å; L103-Y105 VanDerWaalsContact C-N 3.25Å; L103-Y105 PolarHBondContact O-N 3.01Å; L103-Y106 HydrophobicContact CD2-CD2 4.3Å; L103-Y106 HydrophobicContact CD2-CE2 4.46Å; L103-Y106 WeakPolarHBondContact O-CB 3.45Å; L103-Y106 PolarHBondContact O-N 3.08Å; L103-Y107 WeakPolarHBondContact O-CE1 3.26Å; L103-M112 HydrophobicContact CB-SD 4.39Å; L103-M112 HydrophobicContact CD2-CE 4.11Å; L103-M112 HydrophobicContact CD2-SD 3.63Å; L103-Y122 HydrophobicContact CB-CE1 4.14Å; L103-Y122 HydrophobicContact CD1-CD1 4.36Å; L103-Y122 HydrophobicContact CD1-CD2 4.3Å; L103-Y122 HydrophobicContact CD1-CE1 3.82Å; L103-Y122 HydrophobicContact CD1-CE2 3.77Å; L103-Y122 VanDerWaalsContact CD1-CZ 3.49Å |
| 104 | R | 97.7 | Very high | 96.9 | Very high | 161 Ų | 161 | 62.7 Ų | 62.7 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.6 | -30 | 177.5 | -171 | 167 | -174.8 | 124.6 | 3 | 113.2 | S100 R101 A102 Y106 Y107 | S100-R104 PolarHBondContact O-N 3.01Å; R101-R104 PolarHBondContact O-N 3.4Å; A102-R104 PolarHBondContact O-N 2.84Å; R104-Y106 PolarHBondContact O-N 3.06Å; R104-Y107 HydrophobicContact CB-CE2 4.16Å; R104-Y107 HydrophobicContact CG-CD2 3.96Å; R104-Y107 HydrophobicContact CG-CE2 3.7Å; R104-Y107 PolarHBondContact O-N 3.37Å |
| 105 | Y | 96.6 | Very high | 96.9 | Very high | 110 Ų | 110 | 63 Ų | 63 | 43% | 0.431 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -12.4 | 174.3 | -66.3 | -58.7 | 0 | 0 | 0 | 113.3 | R101 A102 L103 K109 | R101-Y105 HydrophobicContact CG-CE2 4.13Å; R101-Y105 VanDerWaalsContact CZ-CE1 3.42Å; R101-Y105 VanDerWaalsContact NH1-CE2 3.34Å; R101-Y105 VanDerWaalsContact NH2-CZ 3.31Å; R101-Y105 PolarHBondContact NH2-OH 3.32Å; R101-Y105 VanDerWaalsContact NH2-OH 3.1Å; R101-Y105 VanDerWaalsContact O-CD2 3.27Å; R101-Y105 WeakPolarHBondContact O-CD2 3.33Å; A102-Y105 WeakPolarHBondContact O-CB 3.46Å; A102-Y105 PolarHBondContact O-N 3.38Å; A102-Y105 VanDerWaalsContact O-N 3.08Å; L103-Y105 VanDerWaalsContact C-N 3.25Å; L103-Y105 PolarHBondContact O-N 3.01Å; Y105-K109 WeakPolarHBondContact O-CG 3.48Å |
| 106 | Y | 96.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 68 Ų | 68 | 2% | 0.02 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -11 | 178 | -67.9 | -35.6 | 0 | 0 | 0 | 114.4 | L47 W48 L103 R104 K109 N110 I111 M112 | L47-Y106 HydrophobicContact CB-CE2 4.08Å; L47-Y106 HydrophobicContact CD2-CE2 4.3Å; L47-Y106 HydrophobicContact CG-CE2 4.3Å; L47-Y106 PolarHBondContact N-OH 2.89Å; W48-Y106 HydrophobicContact CB-CE2 3.92Å; W48-Y106 AromaticContact CD1-CZ 3.89Å; W48-Y106 PolarHBondContact N-OH 3.42Å; L103-Y106 HydrophobicContact CD2-CD2 4.3Å; L103-Y106 HydrophobicContact CD2-CE2 4.46Å; L103-Y106 WeakPolarHBondContact O-CB 3.45Å; L103-Y106 PolarHBondContact O-N 3.08Å; R104-Y106 PolarHBondContact O-N 3.06Å; Y106-K109 HydrophobicContact CD1-CD 4.47Å; Y106-K109 PolarHBondContact O-N 3.41Å; Y106-N110 PolarHBondContact O-N 3.34Å; Y106-I111 HydrophobicContact CD1-CB 4.24Å; Y106-I111 HydrophobicContact CD1-CD1 3.59Å; Y106-I111 HydrophobicContact CD1-CG2 4.23Å; Y106-I111 HydrophobicContact CD2-CG2 4.36Å; Y106-I111 HydrophobicContact CE1-CD1 3.92Å; Y106-I111 HydrophobicContact CG-CB 4.19Å; Y106-I111 HydrophobicContact CG-CD1 4.39Å; Y106-I111 HydrophobicContact CG-CG2 4.02Å; Y106-I111 PolarHBondContact O-N 3.2Å; Y106-M112 CarbonylContact C-O 3.55Å; Y106-M112 HydrophobicContact CD2-CE 3.74Å; Y106-M112 HydrophobicContact CD2-CG 4.18Å; Y106-M112 HydrophobicContact CD2-SD 3.96Å; Y106-M112 HydrophobicContact CE2-CE 4.26Å; Y106-M112 HydrophobicContact CG-CG 4.36Å |
| 107 | Y | 96.4 | Very high | 96.7 | Very high | 52 Ų | 52 | 70.8 Ų | 70.8 | 20% | 0.204 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -51 | -178.3 | -58.5 | -8.7 | 0 | 0 | 0 | 110.9 | L103 R104 K109 N110 M112 K114 | L103-Y107 WeakPolarHBondContact O-CE1 3.26Å; R104-Y107 HydrophobicContact CB-CE2 4.16Å; R104-Y107 HydrophobicContact CG-CD2 3.96Å; R104-Y107 HydrophobicContact CG-CE2 3.7Å; R104-Y107 PolarHBondContact O-N 3.37Å; Y107-K109 PolarHBondContact O-N 3.49Å; Y107-N110 PolarHBondContact O-N 3.34Å; Y107-M112 WeakPolarHBondContact CA-O 3.47Å; Y107-M112 WeakPolarHBondContact CD1-O 3.15Å; Y107-K114 HydrophobicContact CE1-CB 4.33Å; Y107-K114 HydrophobicContact CE2-CB 4.3Å |
| 108 | D | 93.6 | Very high | 96.5 | Very high | 151 Ų | 151 | 68.7 Ų | 68.7 | 81% | 0.807 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -13.9 | -179.7 | -54 | -25 | 0 | 0 | 0 | 112.6 | N110 | D108-N110 VanDerWaalsContact C-N 3.35Š|
| 109 | K | 91.3 | Very high | 96.5 | Very high | 109 Ų | 109 | 72 Ų | 72 | 47% | 0.474 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 3.7 | 177.8 | -64.2 | -172 | 66.3 | 174.3 | 0 | 113.2 | Y105 Y106 Y107 I111 | Y105-K109 WeakPolarHBondContact O-CG 3.48Å; Y106-K109 HydrophobicContact CD1-CD 4.47Å; Y106-K109 PolarHBondContact O-N 3.41Å; Y107-K109 PolarHBondContact O-N 3.49Å; K109-I111 HydrophobicContact CB-CD1 3.86Å; K109-I111 HydrophobicContact CB-CG1 4.12Å; K109-I111 HydrophobicContact CD-CD1 4.31Å; K109-I111 PolarHBondContact O-N 3.16Å |
| 110 | N | 94.9 | Very high | 96.5 | Very high | 87 Ų | 87 | 75 Ų | 75 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 29.8 | -176.1 | -55.9 | 98.4 | 0 | 0 | 0 | 113.2 | Y106 Y107 D108 D125 G128 | Y106-N110 PolarHBondContact O-N 3.34Å; Y107-N110 PolarHBondContact O-N 3.34Å; D108-N110 VanDerWaalsContact C-N 3.35Å; N110-D125 WeakPolarHBondContact O-CB 3.35Å; N110-G128 WeakPolarHBondContact O-CA 3.41Å |
| 111 | I | 95.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -89.6 | -42.7 | 178.2 | -73 | 166.1 | 0 | 0 | 0 | 109.6 | W48 Y106 K109 D125 L129 V132 | W48-I111 HydrophobicContact CB-CG2 3.82Å; W48-I111 HydrophobicContact CG-CG2 4.13Å; Y106-I111 HydrophobicContact CD1-CB 4.24Å; Y106-I111 HydrophobicContact CD1-CD1 3.59Å; Y106-I111 HydrophobicContact CD1-CG2 4.23Å; Y106-I111 HydrophobicContact CD2-CG2 4.36Å; Y106-I111 HydrophobicContact CE1-CD1 3.92Å; Y106-I111 HydrophobicContact CG-CB 4.19Å; Y106-I111 HydrophobicContact CG-CD1 4.39Å; Y106-I111 HydrophobicContact CG-CG2 4.02Å; Y106-I111 PolarHBondContact O-N 3.2Å; K109-I111 HydrophobicContact CB-CD1 3.86Å; K109-I111 HydrophobicContact CB-CG1 4.12Å; K109-I111 HydrophobicContact CD-CD1 4.31Å; K109-I111 PolarHBondContact O-N 3.16Å; I111-D125 PolarHBondContact O-N 3.22Å; I111-L129 HydrophobicContact CG2-CD2 3.94Å; I111-V132 HydrophobicContact CD1-CG2 3.93Å; I111-V132 HydrophobicContact CG1-CG2 3.86Å |
| 112 | M | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 166.4 | 175.7 | 64.7 | 176.7 | 69.3 | 0 | 0 | 110.6 | W48 L51 F73 L103 Y106 Y107 K123 F124 | W48-M112 HydrophobicContact CB-CE 4.18Å; L51-M112 HydrophobicContact CD1-CE 4.2Å; F73-M112 HydrophobicContact CZ-CE 4.5Å; F73-M112 HydrophobicContact CZ-SD 4.42Å; L103-M112 HydrophobicContact CB-SD 4.39Å; L103-M112 HydrophobicContact CD2-CE 4.11Å; L103-M112 HydrophobicContact CD2-SD 3.63Å; Y106-M112 CarbonylContact C-O 3.55Å; Y106-M112 HydrophobicContact CD2-CE 3.74Å; Y106-M112 HydrophobicContact CD2-CG 4.18Å; Y106-M112 HydrophobicContact CD2-SD 3.96Å; Y106-M112 HydrophobicContact CE2-CE 4.26Å; Y106-M112 HydrophobicContact CG-CG 4.36Å; Y107-M112 WeakPolarHBondContact CA-O 3.47Å; Y107-M112 WeakPolarHBondContact CD1-O 3.15Å; M112-K123 CarbonylContact C-O 3.53Å; M112-K123 WeakPolarHBondContact CA-O 3.45Å; M112-K123 VanDerWaalsContact CB-O 3.29Å; M112-K123 WeakPolarHBondContact CB-O 3.5Å; M112-F124 HydrophobicContact CB-CD1 4.19Å; M112-F124 HydrophobicContact CE-CD1 3.99Å; M112-F124 HydrophobicContact CE-CE1 3.38Å; M112-F124 HydrophobicContact CE-CZ 3.84Å |
| 113 | T | 97.7 | Very high | 96.6 | Very high | 59 Ų | 59 | 72.3 Ų | 72.3 | 36% | 0.362 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 160 | 177.1 | 53.8 | 0 | 0 | 0 | 0 | 111 | Y122 K123 | T113-Y122 CarbonylContact O-C 3.58Å; T113-Y122 VanDerWaalsContact O-CA 3.28Å; T113-Y122 WeakPolarHBondContact O-CA 3.27Å; T113-K123 PolarHBondContact N-O 2.95Å; T113-K123 PolarHBondContact O-N 3.14Å |
| 114 | K | 97.4 | Very high | 96.6 | Very high | 89 Ų | 89 | 72.5 Ų | 72.5 | 39% | 0.387 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 136 | 172.2 | -171.6 | 167 | -179.1 | 173.3 | 0 | 110.2 | Y107 H116 | Y107-K114 HydrophobicContact CE1-CB 4.33Å; Y107-K114 HydrophobicContact CE2-CB 4.3Å; K114-H116 PolarHBondContact O-CD2 3.08Å; K114-H116 PolarHBondContact O-N 3.13Å |
| 115 | V | 97.6 | Very high | 96.5 | Very high | 28 Ų | 28 | 67.1 Ų | 67.1 | 17% | 0.17 | 33% | 0.332 | C | S | . | . | trans | -82.5 | 112 | 166.7 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | E72 K118 A121 K123 | E72-V115 HydrophobicContact CG-CG2 3.88Å; V115-K118 HydrophobicContact CG1-CB 4.2Å; V115-K118 HydrophobicContact CG1-CD 4.03Å; V115-K118 HydrophobicContact CG1-CG 4.21Å; V115-A121 HydrophobicContact CB-CB 3.84Å; V115-A121 HydrophobicContact CG1-CB 4.45Å; V115-A121 HydrophobicContact CG2-CB 4.24Å; V115-A121 PolarHBondContact N-O 2.76Å; V115-K123 HydrophobicContact CG2-CB 4.19Å | ||
| 116 | H | 96.5 | Very high | 96.3 | Very high | 163 Ų | 163 | 66.4 Ų | 66.4 | 76% | 0.755 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 149.1 | 177 | -68.1 | -89.5 | 0 | 0 | 0 | 110.8 | K114 K118 | K114-H116 PolarHBondContact O-CD2 3.08Å; K114-H116 PolarHBondContact O-N 3.13Å; H116-K118 PolarHBondContact O-N 3.17Å |
| 117 | G | 96.3 | Very high | 96 | Very high | 93 Ų | 93 | 73.6 Ų | 73.6 | 96% | 0.959 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -11.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 118 | K | 95.6 | Very high | 95.7 | Very high | 75 Ų | 75 | 71.2 Ų | 71.2 | 33% | 0.326 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -116.7 | 136.5 | 175 | -66.4 | -171.2 | -175.2 | -177.3 | 0 | 111.5 | E67 E72 V115 H116 A121 | E67-K118 IonicContact OE1-NZ 2.79Å; E67-K118 PolarHBondContact OE1-NZ 3.22Å; E72-K118 IonicContact OE1-NZ 3.18Å; E72-K118 PolarHBondContact OE1-NZ 3.44Å; V115-K118 HydrophobicContact CG1-CB 4.2Å; V115-K118 HydrophobicContact CG1-CD 4.03Å; V115-K118 HydrophobicContact CG1-CG 4.21Å; H116-K118 PolarHBondContact O-N 3.17Å; K118-A121 HydrophobicContact CB-CB 3.56Å; K118-A121 HydrophobicContact CD-CB 4.18Å |
| 119 | R | 97.4 | Very high | 95.5 | Very high | 177 Ų | 177 | 64.6 Ų | 64.6 | 67% | 0.668 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 135 | 174.9 | -67.9 | -177.3 | 65.3 | -170.9 | 0.6 | 109.9 | K74 A121 | K74-R119 WeakPolarHBondContact CE-O 3.29Å; R119-A121 PolarHBondContact O-N 3.08Å; R119-A121 VanDerWaalsContact O-N 3.1Å |
| 120 | Y | 98.3 | Very high | 95.4 | Very high | 66 Ų | 66 | 62 Ų | 62 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 22.4 | 174.1 | -45.3 | -60.3 | 0 | 0 | 0 | 115.2 | K74 L75 P78 Y96 Y122 | K74-Y120 WeakPolarHBondContact CA-O 3.45Å; L75-Y120 PolarHBondContact N-O 3.39Å; L75-Y120 WeakPolarHBondContact O-CB 3.43Å; P78-Y120 HydrophobicContact CB-CD1 4.31Å; P78-Y120 HydrophobicContact CG-CD1 4.3Å; P78-Y120 HydrophobicContact CG-CD2 4.26Å; P78-Y120 HydrophobicContact CG-CE1 4.22Å; P78-Y120 HydrophobicContact CG-CE2 4.2Å; P78-Y120 HydrophobicContact CG-CG 4.32Å; Y96-Y120 HydrophobicContact CD1-CE1 4.13Å; Y96-Y120 AromaticContact CE1-CD1 3.8Å; Y96-Y120 HydrophobicContact CE1-CD1 3.8Å; Y96-Y120 AromaticContact CE1-CE1 3.51Å; Y96-Y120 HydrophobicContact CE1-CE1 3.51Å; Y96-Y120 HydrophobicContact CE2-CD1 4.07Å; Y96-Y120 AromaticContact CZ-CD1 3.48Å; Y96-Y120 VanDerWaalsContact CZ-CD1 3.48Å; Y96-Y120 AromaticContact CZ-CE1 3.73Å; Y96-Y120 WeakPolarHBondContact OH-CD1 3.3Å; Y120-Y122 WeakPolarHBondContact O-CD2 3.44Å |
| 121 | A | 97.9 | Very high | 95 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 138.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F73 K74 V115 K118 R119 | F73-A121 WeakPolarHBondContact O-CA 3.42Å; K74-A121 HydrophobicContact CG-CB 4.48Å; V115-A121 HydrophobicContact CB-CB 3.84Å; V115-A121 HydrophobicContact CG1-CB 4.45Å; V115-A121 HydrophobicContact CG2-CB 4.24Å; V115-A121 PolarHBondContact N-O 2.76Å; K118-A121 HydrophobicContact CB-CB 3.56Å; K118-A121 HydrophobicContact CD-CB 4.18Å; R119-A121 PolarHBondContact O-N 3.08Å; R119-A121 VanDerWaalsContact O-N 3.1Å |
| 122 | Y | 98.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 158.7 | -174.5 | -59.8 | -89.4 | 0 | 0 | 0 | 109.5 | E72 F73 L75 Y96 L103 T113 Y120 | E72-Y122 WeakPolarHBondContact CA-O 3.42Å; F73-Y122 WeakPolarHBondContact CD1-O 3.32Å; F73-Y122 HydrophobicContact CE2-CD2 4.18Å; F73-Y122 HydrophobicContact CE2-CG 4.5Å; F73-Y122 VanDerWaalsContact CZ-CB 3.5Å; F73-Y122 HydrophobicContact CZ-CD2 4.33Å; F73-Y122 HydrophobicContact CZ-CG 4.19Å; F73-Y122 PolarHBondContact N-O 3.28Å; F73-Y122 PolarHBondContact O-N 3.24Å; F73-Y122 VanDerWaalsContact O-O 3.07Å; L75-Y122 HydrophobicContact CD1-CE2 4.13Å; L75-Y122 HydrophobicContact CG-CE2 4.4Å; Y96-Y122 PolarHBondContact OH-OH 3.37Å; L103-Y122 HydrophobicContact CB-CE1 4.14Å; L103-Y122 HydrophobicContact CD1-CD1 4.36Å; L103-Y122 HydrophobicContact CD1-CD2 4.3Å; L103-Y122 HydrophobicContact CD1-CE1 3.82Å; L103-Y122 HydrophobicContact CD1-CE2 3.77Å; L103-Y122 VanDerWaalsContact CD1-CZ 3.49Å; T113-Y122 CarbonylContact O-C 3.58Å; T113-Y122 VanDerWaalsContact O-CA 3.28Å; T113-Y122 WeakPolarHBondContact O-CA 3.27Å; Y120-Y122 WeakPolarHBondContact O-CD2 3.44Å |
| 123 | K | 97.8 | Very high | 93.8 | Very high | 88 Ų | 88 | 69.9 Ų | 69.9 | 38% | 0.383 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 123.9 | 178 | -171 | 175.2 | 70.9 | 175.5 | 0 | 110.6 | G71 E72 M112 T113 V115 | G71-K123 CarbonylContact O-C 3.59Å; G71-K123 WeakPolarHBondContact O-CA 3.34Å; E72-K123 HydrophobicContact CB-CB 4.41Å; E72-K123 HydrophobicContact CB-CD 4.45Å; E72-K123 HydrophobicContact CB-CG 4.2Å; M112-K123 CarbonylContact C-O 3.53Å; M112-K123 WeakPolarHBondContact CA-O 3.45Å; M112-K123 VanDerWaalsContact CB-O 3.29Å; M112-K123 WeakPolarHBondContact CB-O 3.5Å; T113-K123 PolarHBondContact N-O 2.95Å; T113-K123 PolarHBondContact O-N 3.14Å; V115-K123 HydrophobicContact CG2-CB 4.19Å |
| 124 | F | 97.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 73.2 Ų | 73.2 | 2% | 0.022 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 144.1 | 171.6 | -77.2 | -75.3 | 0 | 0 | 0 | 111 | W48 L51 L52 L55 W66 G71 F73 M112 L129 | W48-F124 HydrophobicContact CB-CE1 4.19Å; L51-F124 HydrophobicContact CB-CZ 4.2Å; L52-F124 HydrophobicContact CD1-CE1 4.49Å; L52-F124 HydrophobicContact CD2-CD2 3.96Å; L52-F124 HydrophobicContact CD2-CE1 4.29Å; L52-F124 HydrophobicContact CD2-CE2 3.55Å; L52-F124 HydrophobicContact CD2-CG 4.5Å; L52-F124 HydrophobicContact CD2-CZ 3.73Å; L52-F124 HydrophobicContact CG-CE1 4.13Å; L52-F124 HydrophobicContact CG-CE2 4.07Å; L52-F124 HydrophobicContact CG-CZ 3.7Å; L55-F124 HydrophobicContact CD1-CE2 3.93Å; W66-F124 AromaticContact CH2-CD2 3.84Å; W66-F124 HydrophobicContact CH2-CD2 3.84Å; W66-F124 HydrophobicContact CH2-CE2 4.04Å; W66-F124 AromaticContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CD2 3.94Å; W66-F124 HydrophobicContact CZ3-CE2 4.37Å; G71-F124 PolarHBondContact O-N 3.28Å; F73-F124 AromaticContact CD1-CD2 3.64Å; F73-F124 HydrophobicContact CD1-CD2 3.64Å; F73-F124 AromaticContact CD1-CE2 3.61Å; F73-F124 HydrophobicContact CD1-CE2 3.61Å; F73-F124 AromaticContact CE1-CD2 3.48Å; F73-F124 HydrophobicContact CE1-CD2 3.48Å; F73-F124 VanDerWaalsContact CE1-CD2 3.48Å; F73-F124 AromaticContact CE1-CE2 3.26Å; F73-F124 HydrophobicContact CE1-CE2 3.26Å; F73-F124 HydrophobicContact CE1-CG 4.29Å; F73-F124 AromaticContact CE1-CZ 3.95Å; F73-F124 HydrophobicContact CE1-CZ 3.95Å; F73-F124 AromaticContact CZ-CE2 3.96Å; F73-F124 HydrophobicContact CZ-CE2 3.96Å; F73-F124 HydrophobicContact CZ-CZ 4.3Å; M112-F124 HydrophobicContact CB-CD1 4.19Å; M112-F124 HydrophobicContact CE-CD1 3.99Å; M112-F124 HydrophobicContact CE-CE1 3.38Å; M112-F124 HydrophobicContact CE-CZ 3.84Å; F124-L129 HydrophobicContact CB-CD1 3.93Å; F124-L129 HydrophobicContact CD1-CD1 3.68Å; F124-L129 HydrophobicContact CD1-CD2 4.3Å; F124-L129 HydrophobicContact CD1-CG 4.28Å; F124-L129 HydrophobicContact CE1-CD1 4.47Å; F124-L129 HydrophobicContact CG-CD1 4.05Å |
| 125 | D | 95.8 | Very high | 90.9 | Very high | 47 Ų | 47 | 73 Ų | 73 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | trans | -105.7 | 107.4 | 169.8 | -179.8 | -4.8 | 0 | 0 | 0 | 108.7 | N110 I111 H127 G128 L129 | N110-D125 WeakPolarHBondContact O-CB 3.35Å; I111-D125 PolarHBondContact O-N 3.22Å; D125-H127 PolarHBondContact O-N 3.35Å; D125-H127 WeakPolarHBondContact OD1-CB 3.41Å; D125-H127 IonicContact OD1-CG 3.6Å; D125-H127 PolarHBondContact OD1-N 2.91Å; D125-H127 IonicContact OD1-ND1 3.52Å; D125-H127 PolarHBondContact OD1-ND1 3.1Å; D125-G128 PolarHBondContact O-N 3.23Å; D125-L129 WeakPolarHBondContact O-CB 3.46Å; D125-L129 WeakPolarHBondContact O-CG 3.39Å; D125-L129 PolarHBondContact O-N 2.95Å | ||
| 126 | F | 91.6 | Very high | 88.6 | Confident | 95 Ų | 95 | 75.5 Ų | 75.5 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.1 | -26 | -176.4 | -64.9 | -67.7 | 0 | 0 | 0 | 112.9 | N70 L129 A130 | N70-F126 VanDerWaalsContact ND2-CE2 3.32Å; N70-F126 WeakPolarHBondContact ND2-CE2 3.49Å; F126-L129 HydrophobicContact CD1-CD1 4.3Å; F126-A130 VanDerWaalsContact O-CB 3.31Å; F126-A130 WeakPolarHBondContact O-CB 3.49Å; F126-A130 PolarHBondContact O-N 2.76Å |
| 127 | H | 90.9 | Very high | 86.4 | Confident | 156 Ų | 156 | 71.3 Ų | 71.3 | 72% | 0.722 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.8 | -47.9 | 178.8 | -62 | 89.3 | 0 | 0 | 0 | 111 | D125 A130 Q131 | D125-H127 PolarHBondContact O-N 3.35Å; D125-H127 WeakPolarHBondContact OD1-CB 3.41Å; D125-H127 IonicContact OD1-CG 3.6Å; D125-H127 PolarHBondContact OD1-N 2.91Å; D125-H127 IonicContact OD1-ND1 3.52Å; D125-H127 PolarHBondContact OD1-ND1 3.1Å; H127-A130 PolarHBondContact O-N 3.3Å; H127-Q131 PolarHBondContact O-N 3.18Å |
| 128 | G | 89.9 | Confident | 84.2 | Confident | 2 Ų | 2 | 71.3 Ų | 71.3 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -75.1 | -31 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | N110 D125 A130 Q131 V132 | N110-G128 WeakPolarHBondContact O-CA 3.41Å; D125-G128 PolarHBondContact O-N 3.23Å; G128-A130 VanDerWaalsContact C-N 3.33Å; G128-A130 PolarHBondContact O-N 3.28Å; G128-Q131 PolarHBondContact O-N 2.71Å; G128-V132 WeakPolarHBondContact O-CG2 3.47Å; G128-V132 PolarHBondContact O-N 3.15Å |
| 129 | L | 90.2 | Very high | 81.8 | Confident | 12 Ų | 12 | 75 Ų | 75 | 6% | 0.063 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | 168.5 | -80.5 | 179 | 0 | 0 | 0 | 112.1 | W48 I111 F124 D125 F126 Q131 V132 C133 | W48-L129 HydrophobicContact CD2-CD2 3.99Å; W48-L129 HydrophobicContact CE3-CD2 3.45Å; W48-L129 VanDerWaalsContact CE3-CD2 3.45Å; W48-L129 HydrophobicContact CZ3-CD2 3.76Å; I111-L129 HydrophobicContact CG2-CD2 3.94Å; F124-L129 HydrophobicContact CB-CD1 3.93Å; F124-L129 HydrophobicContact CD1-CD1 3.68Å; F124-L129 HydrophobicContact CD1-CD2 4.3Å; F124-L129 HydrophobicContact CD1-CG 4.28Å; F124-L129 HydrophobicContact CE1-CD1 4.47Å; F124-L129 HydrophobicContact CG-CD1 4.05Å; D125-L129 WeakPolarHBondContact O-CB 3.46Å; D125-L129 WeakPolarHBondContact O-CG 3.39Å; D125-L129 PolarHBondContact O-N 2.95Å; F126-L129 HydrophobicContact CD1-CD1 4.3Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 3.08Å; L129-V132 PolarHBondContact O-N 2.98Å; L129-V132 VanDerWaalsContact O-N 3.14Å; L129-C133 WeakPolarHBondContact O-CB 3.25Å; L129-C133 PolarHBondContact O-N 2.93Å; L129-C133 PolarHBondContact O-SG 3.08Å; L129-C133 VanDerWaalsContact O-SG 3.34Å |
| 130 | A | 88.6 | Confident | 79.4 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.7 | -38.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F126 H127 G128 Q134 | F126-A130 VanDerWaalsContact O-CB 3.31Å; F126-A130 WeakPolarHBondContact O-CB 3.49Å; F126-A130 PolarHBondContact O-N 2.76Å; H127-A130 PolarHBondContact O-N 3.3Å; G128-A130 VanDerWaalsContact C-N 3.33Å; G128-A130 PolarHBondContact O-N 3.28Å; A130-Q134 WeakPolarHBondContact O-CG 3.35Å; A130-Q134 PolarHBondContact O-N 3.49Å |
| 131 | Q | 87.7 | Confident | 77.1 | Confident | 145 Ų | 145 | 71.2 Ų | 71.2 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -66.5 | -39.5 | 174.6 | -72.3 | 177.7 | -14.2 | 0 | 0 | 112.8 | H127 G128 L129 C133 Q134 | H127-Q131 PolarHBondContact O-N 3.18Å; G128-Q131 PolarHBondContact O-N 2.71Å; L129-Q131 VanDerWaalsContact C-N 3.26Å; L129-Q131 PolarHBondContact O-N 3.08Å; Q131-C133 VanDerWaalsContact C-N 3.33Å; Q131-Q134 PolarHBondContact O-N 3.43Å |
| 132 | V | 84.4 | Confident | 74.7 | Confident | 38 Ų | 38 | 77 Ų | 77 | 23% | 0.23 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -72.2 | -28.5 | 179.6 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | T36 W48 I111 G128 L129 Q134 | T36-V132 WeakPolarHBondContact CG2-O 3.33Å; W48-V132 HydrophobicContact CZ2-CG1 3.71Å; I111-V132 HydrophobicContact CD1-CG2 3.93Å; I111-V132 HydrophobicContact CG1-CG2 3.86Å; G128-V132 WeakPolarHBondContact O-CG2 3.47Å; G128-V132 PolarHBondContact O-N 3.15Å; L129-V132 PolarHBondContact O-N 2.98Å; L129-V132 VanDerWaalsContact O-N 3.14Å; V132-Q134 VanDerWaalsContact C-N 3.34Å |
| 133 | C | 82.3 | Confident | 72.5 | Confident | 69 Ų | 69 | 82.6 Ų | 82.6 | 47% | 0.466 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -77.2 | -17.2 | 176 | -72.4 | 0 | 0 | 0 | 0 | 113.6 | L129 Q131 | L129-C133 WeakPolarHBondContact O-CB 3.25Å; L129-C133 PolarHBondContact O-N 2.93Å; L129-C133 PolarHBondContact O-SG 3.08Å; L129-C133 VanDerWaalsContact O-SG 3.34Å; Q131-C133 VanDerWaalsContact C-N 3.33Å |
| 134 | Q | 75.6 | Confident | 70 | Confident | 130 Ų | 130 | 85.7 Ų | 85.7 | 61% | 0.607 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -65.2 | 136.6 | 174.9 | -67.8 | -61.9 | -26.1 | 0 | 0 | 109.6 | A130 Q131 V132 S136 | A130-Q134 WeakPolarHBondContact O-CG 3.35Å; A130-Q134 PolarHBondContact O-N 3.49Å; Q131-Q134 PolarHBondContact O-N 3.43Å; V132-Q134 VanDerWaalsContact C-N 3.34Å; Q134-S136 PolarHBondContact O-N 2.81Å; Q134-S136 VanDerWaalsContact O-N 3.08Å |
| 135 | P | 58.4 | Low | 67.4 | Low | 84 Ų | 84 | 93.4 Ų | 93.4 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | trans | -58.1 | 120.7 | 168.4 | 25.6 | -31.4 | 0 | 0 | 0 | 106.9 | S137 | P135-S137 PolarHBondContact O-N 3.07Š| ||
| 136 | S | 49.9 | Very low | 64.9 | Low | 80 Ų | 80 | 98.9 Ų | 98.9 | 56% | 0.559 | 52% | 0.516 | S | S | * | . | trans | -55.6 | 114.3 | 173.6 | 49.3 | 0 | 0 | 0 | 0 | 107.6 | Q134 T138 | Q134-S136 PolarHBondContact O-N 2.81Å; Q134-S136 VanDerWaalsContact O-N 3.08Å; S136-T138 PolarHBondContact O-N 3.44Å | ||
| 137 | S | 49.1 | Very low | 62.7 | Low | 76 Ų | 76 | 98.3 Ų | 98.3 | 53% | 0.531 | 52% | 0.523 | S | S | . | . | trans | -59.2 | 51.9 | 173.7 | -76.4 | 0 | 0 | 0 | 0 | 113.1 | P135 E139 Q140 | P135-S137 PolarHBondContact O-N 3.07Å; S137-E139 VanDerWaalsContact C-N 3.34Å; S137-Q140 PolarHBondContact O-N 2.7Å | ||
| 138 | T | 50.2 | Low | 60.5 | Low | 92 Ų | 92 | 97.5 Ų | 97.5 | 56% | 0.564 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -76.1 | -29.2 | 173.3 | -51.7 | 0 | 0 | 0 | 0 | 110.6 | S136 Q140 A141 | S136-T138 PolarHBondContact O-N 3.44Å; T138-Q140 PolarHBondContact O-N 3.39Å; T138-A141 PolarHBondContact O-N 2.88Å |
| 139 | E | 45.8 | Very low | 58.4 | Low | 154 Ų | 154 | 105.6 Ų | 105.6 | 72% | 0.72 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.2 | -35.4 | 169.5 | -65.7 | -92 | 128.6 | 0 | 0 | 110.8 | S137 A141 L142 Y143 | S137-E139 VanDerWaalsContact C-N 3.34Å; E139-A141 PolarHBondContact O-N 3.3Å; E139-L142 PolarHBondContact O-N 3.4Å; E139-Y143 VanDerWaalsContact C-CE1 3.45Å; E139-Y143 HydrophobicContact CB-CE1 4.29Å; E139-Y143 WeakPolarHBondContact O-CD1 2.85Å; E139-Y143 VanDerWaalsContact O-CE1 3.26Å; E139-Y143 WeakPolarHBondContact O-CE1 3.49Å; E139-Y143 PolarHBondContact O-N 2.85Å |
| 140 | Q | 46.1 | Very low | 56.4 | Low | 102 Ų | 102 | 108.8 Ų | 108.8 | 48% | 0.477 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.2 | -27.1 | -176 | -46.2 | -146.9 | -13.8 | 0 | 0 | 116.6 | S137 T138 Y143 | S137-Q140 PolarHBondContact O-N 2.7Å; T138-Q140 PolarHBondContact O-N 3.39Å; Q140-Y143 VanDerWaalsContact CA-CE2 3.49Å; Q140-Y143 HydrophobicContact CB-CE1 3.98Å; Q140-Y143 HydrophobicContact CB-CE2 3.74Å; Q140-Y143 VanDerWaalsContact CB-CZ 3.43Å; Q140-Y143 WeakPolarHBondContact CB-OH 3.37Å; Q140-Y143 HydrophobicContact CG-CE1 3.94Å; Q140-Y143 HydrophobicContact CG-CE2 4.18Å; Q140-Y143 VanDerWaalsContact CG-CZ 3.42Å; Q140-Y143 WeakPolarHBondContact CG-OH 2.85Å; Q140-Y143 PolarHBondContact NE2-OH 3.13Å; Q140-Y143 VanDerWaalsContact NE2-OH 3.08Å; Q140-Y143 WeakPolarHBondContact O-CD2 3.37Å; Q140-Y143 WeakPolarHBondContact O-CE2 3.26Å; Q140-Y143 PolarHBondContact OE1-OH 2.8Å |
| 141 | A | 51.4 | Low | 54 | Low | 61 Ų | 61 | 112.3 Ų | 112.3 | 50% | 0.504 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -75.1 | -32.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T138 E139 F145 | T138-A141 PolarHBondContact O-N 2.88Å; E139-A141 PolarHBondContact O-N 3.3Å; A141-F145 PolarHBondContact O-N 3.35Å |
| 142 | L | 47.4 | Very low | 52.1 | Low | 122 Ų | 122 | 112.5 Ų | 112.5 | 64% | 0.639 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.9 | -41.5 | -178.9 | -91.1 | 145 | 0 | 0 | 0 | 112.1 | E139 F145 | E139-L142 PolarHBondContact O-N 3.4Å; L142-F145 PolarHBondContact O-N 3.23Å |
| 143 | Y | 52.2 | Low | 50.2 | Low | 121 Ų | 121 | 116.2 Ų | 116.2 | 48% | 0.475 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -77.3 | -21.3 | 179.4 | 51.8 | -115.8 | 0 | 0 | 0 | 114.8 | E139 Q140 | E139-Y143 VanDerWaalsContact C-CE1 3.45Å; E139-Y143 HydrophobicContact CB-CE1 4.29Å; E139-Y143 WeakPolarHBondContact O-CD1 2.85Å; E139-Y143 VanDerWaalsContact O-CE1 3.26Å; E139-Y143 WeakPolarHBondContact O-CE1 3.49Å; E139-Y143 PolarHBondContact O-N 2.85Å; Q140-Y143 VanDerWaalsContact CA-CE2 3.49Å; Q140-Y143 HydrophobicContact CB-CE1 3.98Å; Q140-Y143 HydrophobicContact CB-CE2 3.74Å; Q140-Y143 VanDerWaalsContact CB-CZ 3.43Å; Q140-Y143 WeakPolarHBondContact CB-OH 3.37Å; Q140-Y143 HydrophobicContact CG-CE1 3.94Å; Q140-Y143 HydrophobicContact CG-CE2 4.18Å; Q140-Y143 VanDerWaalsContact CG-CZ 3.42Å; Q140-Y143 WeakPolarHBondContact CG-OH 2.85Å; Q140-Y143 PolarHBondContact NE2-OH 3.13Å; Q140-Y143 VanDerWaalsContact NE2-OH 3.08Å; Q140-Y143 WeakPolarHBondContact O-CD2 3.37Å; Q140-Y143 WeakPolarHBondContact O-CE2 3.26Å; Q140-Y143 PolarHBondContact OE1-OH 2.8Å |
| 144 | K | 44 | Very low | 48.2 | Very low | 154 Ų | 154 | 121.9 Ų | 121.9 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -81.2 | -20 | 170 | -90.6 | -175.8 | 172.8 | 178.8 | 0 | 113.6 | S147 | K144-S147 PolarHBondContact O-OG 3.36Å |
| 145 | F | 43.7 | Very low | 46.5 | Very low | 166 Ų | 166 | 120.8 Ų | 120.8 | 73% | 0.728 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79.2 | -20.4 | 175.6 | -114.4 | -86 | 0 | 0 | 0 | 113.4 | A141 L142 | A141-F145 PolarHBondContact O-N 3.35Å; L142-F145 PolarHBondContact O-N 3.23Å |
| 146 | Q | 43.4 | Very low | 45.6 | Very low | 163 Ų | 163 | 120 Ų | 120 | 76% | 0.762 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -89.1 | -18.5 | 178.1 | -160.4 | 164.4 | 7.9 | 0 | 0 | 113.5 | N148 | Q146-N148 PolarHBondContact O-N 3.24Å |
| 147 | S | 44.7 | Very low | 45.5 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 57% | 0.573 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -3.8 | -177.7 | 62.8 | 0 | 0 | 0 | 0 | 115.3 | K144 | K144-S147 PolarHBondContact O-OG 3.36Š|
| 148 | N | 45.6 | Very low | 45.1 | Very low | 140 Ų | 140 | 126 Ų | 126 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 7.2 | -177.3 | -89 | 39.1 | 0 | 0 | 0 | 115.1 | Q146 A150 | Q146-N148 PolarHBondContact O-N 3.24Å; N148-A150 PolarHBondContact O-N 3.28Å |
| 149 | F | 45.6 | Very low | 44.8 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 75% | 0.75 | 71% | 0.705 | S | S | * | * | trans | -92.6 | 98.1 | 167.7 | -68.8 | -75.7 | 0 | 0 | 0 | 109.5 | ||||
| 150 | A | 47.8 | Very low | 45 | Very low | 79 Ų | 79 | 131.8 Ų | 131.8 | 65% | 0.653 | 72% | 0.715 | S | S | * | * | trans | -55.5 | 137.4 | 161 | 0 | 0 | 0 | 0 | 0 | 109.2 | N148 I152 | N148-A150 PolarHBondContact O-N 3.28Å; A150-I152 PolarHBondContact O-N 3.49Å; A150-I152 VanDerWaalsContact O-N 3.12Å | ||
| 151 | P | 39.1 | Very low | 45.2 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 73% | 0.731 | S | S | * | * | trans | -68.7 | 110.9 | 172.7 | -5.8 | 20.6 | 0 | 0 | 0 | 108.4 | ||||
| 152 | I | 47.7 | Very low | 44.8 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | trans | -84 | 122 | 167.9 | 36.2 | -179.3 | 0 | 0 | 0 | 108.7 | A150 F154 | A150-I152 PolarHBondContact O-N 3.49Å; A150-I152 VanDerWaalsContact O-N 3.12Å; I152-F154 PolarHBondContact O-N 3.45Å | ||
| 153 | P | 43.8 | Very low | 44.5 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -80.3 | 109.2 | 174.1 | 31.3 | -29.5 | 0 | 0 | 0 | 108.4 | ||||
| 154 | F | 41.7 | Very low | 44.4 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 82% | 0.82 | 77% | 0.766 | S | S | * | * | trans | -103 | 99.8 | 166.3 | -122.7 | -87.4 | 0 | 0 | 0 | 109.9 | I152 | I152-F154 PolarHBondContact O-N 3.45Š| ||
| 155 | S | 39.1 | Very low | 44.3 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -74.2 | 123.8 | 165.8 | -41.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 156 | G | 38.9 | Very low | 44.1 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | 70.9 | 99.5 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 157 | I | 48.5 | Very low | 44 | Very low | 173 Ų | 173 | 130.7 Ų | 130.7 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | -143.8 | 128.2 | 124.9 | -23.8 | 168.9 | 0 | 0 | 0 | 108.4 | |||||
| 158 | S | 40.5 | Very low | 43.8 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -80.2 | 143.7 | -169.6 | -56.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 159 | K | 43.3 | Very low | 43.6 | Very low | 193 Ų | 193 | 129.3 Ų | 129.3 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | 41.4 | 109.8 | 142.8 | -77.4 | 178.6 | 173.6 | 174.1 | 0 | 118.8 | ||||
| 160 | L | 51.1 | Low | 43.6 | Very low | 176 Ų | 176 | 126.3 Ų | 126.3 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -138.3 | 113 | 135.3 | -94.6 | 165.6 | 0 | 0 | 0 | 108.6 | ||||
| 161 | N | 48.9 | Very low | 43.4 | Very low | 152 Ų | 152 | 126 Ų | 126 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -79.8 | 125.4 | 162.6 | -82.9 | -56.6 | 0 | 0 | 0 | 107.4 | ||||
| 162 | L | 44.3 | Very low | 43.5 | Very low | 170 Ų | 170 | 127.9 Ų | 127.9 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | trans | -146.4 | 132.6 | 154.1 | -147.6 | 70.2 | 0 | 0 | 0 | 110.4 | ||||
| 163 | V | 41.2 | Very low | 43.4 | Very low | 131 Ų | 131 | 127 Ų | 127 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -34.5 | 139.2 | -178.3 | 68.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 164 | G | 49.9 | Very low | 43.6 | Very low | 65 Ų | 65 | 130.2 Ų | 130.2 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 168 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 165 | P | 41.7 | Very low | 44 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -117.5 | 135.4 | 156.2 | 31.4 | -17.9 | 0 | 0 | 0 | 111.1 | ||||
| 166 | G | 40 | Very low | 44.3 | Very low | 61 Ų | 61 | 133.8 Ų | 133.8 | 63% | 0.629 | 81% | 0.805 | S | S | * | * | trans | -72.9 | 161.6 | 157 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 167 | V | 40.7 | Very low | 44.4 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 96% | 0.964 | 81% | 0.806 | S | S | * | * | trans | 57.6 | 124.7 | 156.3 | -57.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 168 | G | 39.9 | Very low | 44.1 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 168.2 | 100.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 169 | S | 41.2 | Very low | 44.6 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -62.9 | 165.9 | 177.6 | -58.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 170 | S | 45.3 | Very low | 45 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | 71.4 | 111.8 | 150.7 | 56.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 171 | G | 44.4 | Very low | 45.1 | Very low | 72 Ų | 72 | 127 Ų | 127 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | 78.5 | 91.5 | 120.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 172 | F | 40.4 | Very low | 44.8 | Very low | 171 Ų | 171 | 126.4 Ų | 126.4 | 75% | 0.75 | 80% | 0.797 | S | S | * | * | trans | -128.3 | 116.2 | 155.5 | -78.8 | -82.8 | 0 | 0 | 0 | 110.4 | Y174 | F172-Y174 HydrophobicContact CD1-CD1 4.37Å; F172-Y174 AromaticContact CD1-CE1 3.87Å; F172-Y174 HydrophobicContact CD1-CE1 3.87Å; F172-Y174 AromaticContact CE1-CE1 3.96Å; F172-Y174 HydrophobicContact CE1-CE1 3.96Å | ||
| 173 | S | 46.7 | Very low | 44.6 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -146.8 | 96.7 | 151.6 | -70.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 174 | Y | 48.2 | Very low | 44.4 | Very low | 186 Ų | 186 | 130.2 Ų | 130.2 | 73% | 0.729 | 79% | 0.793 | S | S | * | * | trans | -143.1 | 126.1 | 152.8 | 64.8 | -93.7 | 0 | 0 | 0 | 109.2 | F172 | F172-Y174 HydrophobicContact CD1-CD1 4.37Å; F172-Y174 AromaticContact CD1-CE1 3.87Å; F172-Y174 HydrophobicContact CD1-CE1 3.87Å; F172-Y174 AromaticContact CE1-CE1 3.96Å; F172-Y174 HydrophobicContact CE1-CE1 3.96Å | ||
| 175 | W | 49.8 | Very low | 43.7 | Very low | 245 Ų | 245 | 131.4 Ų | 131.4 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | trans | -66.8 | 139.8 | 168.4 | -76.5 | 81.4 | 0 | 0 | 0 | 109.5 | ||||
| 176 | P | 46.3 | Very low | 43.7 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -88.4 | 120 | 169.6 | 31.8 | -27.4 | 0 | 0 | 0 | 109.6 | ||||
| 177 | G | 39.9 | Very low | 43.6 | Very low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | trans | -171.5 | 83.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 178 | S | 43.2 | Very low | 43.5 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | 99.9 | 147.8 | 146.1 | -55.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 179 | P | 51.1 | Low | 43.9 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -102 | 175.6 | -146.8 | 40.9 | -33.7 | 0 | 0 | 0 | 114.3 | ||||
| 180 | P | 51.8 | Low | 44.6 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -90.2 | 143.9 | -166.9 | 35.1 | -30.2 | 0 | 0 | 0 | 112.8 | ||||
| 181 | T | 51.4 | Low | 45.1 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | trans | -115.1 | 111.3 | 160.3 | 52.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 182 | L | 43.5 | Very low | 45 | Very low | 140 Ų | 140 | 141 Ų | 141 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | -61.4 | 135.7 | 161.3 | -103 | 134.6 | 0 | 0 | 0 | 109.7 | ||||
| 183 | Y | 39.7 | Very low | 45.8 | Very low | 230 Ų | 230 | 139.3 Ų | 139.3 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | -169.8 | 154.9 | 126.2 | -109 | -78.5 | 0 | 0 | 0 | 112.2 | |||||
| 184 | H | 37.5 | Very low | 45.6 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | trans | -94.6 | 141 | -163.8 | -79.9 | 64.9 | 0 | 0 | 0 | 114.4 | ||||
| 185 | S | 35 | Very low | 45.2 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | 61.4 | 157.2 | 126 | -163.6 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 186 | H | 41.5 | Very low | 45.1 | Very low | 171 Ų | 171 | 131.9 Ų | 131.9 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | 101.3 | 85.4 | 160.8 | -49.3 | -80.2 | 0 | 0 | 0 | 119.9 | ||||
| 187 | N | 38.5 | Very low | 45.2 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | 30.1 | 125.1 | 121 | -147.8 | -3.1 | 0 | 0 | 0 | 121.6 | |||||
| 188 | L | 39.4 | Very low | 45.5 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | 148.2 | 115.4 | 126.5 | -80.3 | 163.7 | 0 | 0 | 0 | 115.6 | |||||
| 189 | Q | 48.1 | Very low | 45.2 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | 70.2 | 160.1 | 139.9 | -92.5 | -173.8 | -114.9 | 0 | 0 | 124.3 | ||||
| 190 | P | 55.2 | Low | 44.9 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -126.1 | -145.2 | -139.4 | 40.9 | -16.8 | 0 | 0 | 0 | 111.4 | ||||
| 191 | P | 56.2 | Low | 44.6 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | cis | -116.4 | 173.1 | -46.7 | 27.1 | -7.6 | 0 | 0 | 0 | 112.2 | ||||
| 192 | G | 42 | Very low | 44.3 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | trans | -147.2 | 145.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 193 | P | 56.3 | Low | 44.1 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -86 | 138.8 | -150.8 | -1 | 19.3 | 0 | 0 | 0 | 113.2 | G195 | P193-G195 PolarHBondContact O-N 3.12Š| ||
| 194 | F | 43.1 | Very low | 44 | Very low | 210 Ų | 210 | 127.9 Ų | 127.9 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -68.9 | 113.4 | 164.9 | -72.7 | -85.2 | 0 | 0 | 0 | 109.8 | S196 | F194-S196 PolarHBondContact O-N 3.34Š| ||
| 195 | G | 38.9 | Very low | 44.2 | Very low | 78 Ų | 78 | 127.6 Ų | 127.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -70.5 | 112.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P193 | P193-G195 PolarHBondContact O-N 3.12Š| ||
| 196 | S | 48.3 | Very low | 44.4 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -74.4 | 131.9 | 159.2 | -73.9 | 0 | 0 | 0 | 0 | 109.3 | F194 | F194-S196 PolarHBondContact O-N 3.34Š| ||
| 197 | V | 49 | Very low | 44.4 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | trans | -146.4 | 119.6 | 138.4 | -82.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 198 | S | 45.3 | Very low | 44.5 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -71.4 | 151 | 162.5 | 175.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 199 | A | 37.8 | Very low | 44.5 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | 179.5 | 110.8 | 123.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 200 | S | 45.1 | Very low | 44 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -69.4 | 129.6 | 161.4 | 23.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 201 | H | 46.1 | Very low | 43.5 | Very low | 167 Ų | 167 | 132 Ų | 132 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -139.5 | 93.9 | 159.6 | -156.8 | -111.2 | 0 | 0 | 0 | 110.1 | S203 | H201-S203 PolarHBondContact CE1-OG 3.29Å; H201-S203 PolarHBondContact ND1-OG 3.35Å; H201-S203 VanDerWaalsContact ND1-OG 3.13Å | ||
| 202 | I | 43.1 | Very low | 43 | Very low | 152 Ų | 152 | 133 Ų | 133 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -85.7 | 123.5 | 161 | -68.9 | 172.7 | 0 | 0 | 0 | 105.8 | ||||
| 203 | S | 39.4 | Very low | 42.9 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | -126.7 | 106.5 | 162.7 | -50.6 | 0 | 0 | 0 | 0 | 108.3 | H201 | H201-S203 PolarHBondContact CE1-OG 3.29Å; H201-S203 PolarHBondContact ND1-OG 3.35Å; H201-S203 VanDerWaalsContact ND1-OG 3.13Å | ||
| 204 | C | 38.6 | Very low | 42.6 | Very low | 105 Ų | 105 | 137 Ų | 137 | 71% | 0.709 | 79% | 0.794 | S | S | * | * | trans | -126 | 133.7 | 158.6 | 39.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 205 | V | 41 | Very low | 42.8 | Very low | 143 Ų | 143 | 133.2 Ų | 133.2 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | 160.9 | 126.4 | 133 | 164.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 206 | N | 40.5 | Very low | 43.1 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -45.2 | 141.1 | 166.1 | -72.7 | -16.7 | 0 | 0 | 0 | 114.7 | ||||
| 207 | N | 39.8 | Very low | 43.2 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -164.2 | 91.8 | 139.8 | -165.8 | 20.1 | 0 | 0 | 0 | 112.7 | ||||
| 208 | I | 41.3 | Very low | 43 | Very low | 172 Ų | 172 | 143 Ų | 143 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | trans | -139.4 | 91.1 | 148.8 | -56.7 | -179.8 | 0 | 0 | 0 | 107.2 | ||||
| 209 | N | 40.8 | Very low | 43.1 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -86.5 | 146.3 | 154.9 | -85.4 | -34 | 0 | 0 | 0 | 108.8 | ||||
| 210 | N | 37.4 | Very low | 43.4 | Very low | 131 Ų | 131 | 151.3 Ų | 151.3 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 96.2 | 88.7 | 146.6 | -142 | 21.3 | 0 | 0 | 0 | 117.6 | ||||
| 211 | L | 42.8 | Very low | 43.3 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -134.2 | 77.8 | 142.1 | -131.3 | 87.4 | 0 | 0 | 0 | 108.4 | ||||
| 212 | N | 45.7 | Very low | 43.1 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | trans | -81.1 | 144 | 155 | -85.4 | -30.9 | 0 | 0 | 0 | 108.2 | ||||
| 213 | N | 39.9 | Very low | 43.1 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | 98.6 | 106.5 | 164.8 | -155.1 | 1 | 0 | 0 | 0 | 115.8 | ||||
| 214 | I | 51.2 | Low | 43.3 | Very low | 151 Ų | 151 | 156.3 Ų | 156.3 | 77% | 0.774 | 82% | 0.818 | S | S | * | * | -160.5 | 106.5 | 128 | -83.7 | 137.7 | 0 | 0 | 0 | 108.1 | |||||
| 215 | N | 46.6 | Very low | 43.7 | Very low | 129 Ų | 129 | 159.7 Ų | 159.7 | 69% | 0.69 | 83% | 0.825 | S | S | * | * | trans | 49.7 | 105.5 | 137.4 | -59 | -33.4 | 0 | 0 | 0 | 121.2 | ||||
| 216 | N | 45.5 | Very low | 43.8 | Very low | 154 Ų | 154 | 160.9 Ų | 160.9 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | trans | -69.1 | 121.2 | 138 | -76.6 | -67.3 | 0 | 0 | 0 | 109.4 | ||||
| 217 | H | 51.2 | Low | 44.1 | Very low | 172 Ų | 172 | 161.2 Ų | 161.2 | 80% | 0.796 | 82% | 0.821 | S | S | * | * | trans | -150.8 | 104.8 | 151 | -131.2 | 100 | 0 | 0 | 0 | 108.4 | ||||
| 218 | Y | 44.6 | Very low | 44.5 | Very low | 223 Ų | 223 | 163 Ų | 163 | 88% | 0.875 | 83% | 0.827 | S | S | * | * | trans | -88 | 110.5 | 157.9 | -84.9 | -86.7 | 0 | 0 | 0 | 106.7 | ||||
| 219 | N | 46.7 | Very low | 44.8 | Very low | 228 Ų | 228 | 162.2 Ų | 162.2 | 100% | 1.219 | 82% | 0.822 | S | S | * | * | trans | -161.4 | 0 | 144 | -130.8 | -1.5 | 0 | 0 | 0 | 108.5 |
Retrieved 219 of 219 residues in 273.5 ms
(Link to these results)